USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 821 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 90 THR OG1 : rot 180:sc= -0.749 USER MOD Set 1.2: A 93 GLN : amide:sc= -2.83! C(o=-3.6!,f=-3.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 153:sc= -0.792 (180deg=-3.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 131:sc= -0.225 (180deg=-2.34!) USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= -0.11 (180deg=-0.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 70:sc= -5.21! USER MOD Single : A 53 SER OG : rot 96:sc= -0.05 USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.99! USER MOD Single : A 59 GLN : amide:sc=-0.00119 X(o=-0.0012,f=-0.36) USER MOD Single : A 61 TYR OH : rot 92:sc= 0.0223 USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.421) USER MOD Single : A 69 HIS : no HD1:sc= -0.0857 X(o=-0.086,f=-0.24) USER MOD Single : A 81 ASN : amide:sc= -0.967 K(o=-0.97,f=0.77) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 88 SER OG : rot -57:sc= 0.0634 USER MOD Single : A 91 MET CE :methyl -151:sc= -3.29 (180deg=-6.13!) USER MOD Single : A 95 TYR OH : rot -100:sc= -0.33! USER MOD Single : A 96 GLN : amide:sc= -0.538 K(o=-0.54,f=-2.7!) USER MOD Single : A 98 HIS : no HD1:sc= -7.49! C(o=-7.5!,f=-5.9!) USER MOD Single : A 99 HIS : no HD1:sc= -3.61! X(o=-3.6!,f=-3.7) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 30:sc= -1.86! USER MOD Single : A 110 SER OG : rot -160:sc= -2.29! USER MOD Single : A 113 SER OG : rot 180:sc=5.02e-06 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -1.988 10.880 11.469 1.00 0.00 N ATOM 2 CA GLY A 18 -2.635 10.955 10.129 1.00 0.00 C ATOM 3 C GLY A 18 -3.179 12.367 9.901 1.00 0.00 C ATOM 4 O GLY A 18 -2.616 13.144 9.157 1.00 0.00 O ATOM 0 HA2 GLY A 18 -1.915 10.702 9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.444 10.227 10.063 1.00 0.00 H new ATOM 8 N GLU A 19 -4.268 12.708 10.536 1.00 0.00 N ATOM 9 CA GLU A 19 -4.838 14.073 10.353 1.00 0.00 C ATOM 10 C GLU A 19 -3.746 15.125 10.552 1.00 0.00 C ATOM 11 O GLU A 19 -3.692 16.121 9.857 1.00 0.00 O ATOM 12 CB GLU A 19 -5.911 14.204 11.435 1.00 0.00 C ATOM 13 CG GLU A 19 -7.296 14.058 10.802 1.00 0.00 C ATOM 14 CD GLU A 19 -7.907 15.445 10.586 1.00 0.00 C ATOM 15 OE1 GLU A 19 -7.234 16.419 10.882 1.00 0.00 O ATOM 16 OE2 GLU A 19 -9.037 15.507 10.130 1.00 0.00 O ATOM 0 H GLU A 19 -4.786 12.102 11.172 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.249 14.221 9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.767 13.440 12.199 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.826 15.171 11.931 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.219 13.531 9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.941 13.461 11.447 1.00 0.00 H new ATOM 23 N LYS A 20 -2.872 14.910 11.496 1.00 0.00 N ATOM 24 CA LYS A 20 -1.780 15.899 11.742 1.00 0.00 C ATOM 25 C LYS A 20 -0.639 15.697 10.736 1.00 0.00 C ATOM 26 O LYS A 20 -0.038 16.644 10.271 1.00 0.00 O ATOM 27 CB LYS A 20 -1.292 15.624 13.166 1.00 0.00 C ATOM 28 CG LYS A 20 -1.299 16.927 13.967 1.00 0.00 C ATOM 29 CD LYS A 20 -2.732 17.458 14.062 1.00 0.00 C ATOM 30 CE LYS A 20 -2.907 18.229 15.373 1.00 0.00 C ATOM 31 NZ LYS A 20 -3.771 19.389 15.022 1.00 0.00 N ATOM 0 H LYS A 20 -2.865 14.094 12.108 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.129 16.925 11.626 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.935 14.886 13.646 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.286 15.204 13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.896 16.755 14.965 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.657 17.665 13.487 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.947 18.109 13.214 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.441 16.631 14.017 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.372 17.607 16.138 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.946 18.557 15.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.937 19.967 15.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.300 19.966 14.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.681 19.045 14.654 1.00 0.00 H new ATOM 45 N ILE A 21 -0.336 14.473 10.395 1.00 0.00 N ATOM 46 CA ILE A 21 0.765 14.223 9.421 1.00 0.00 C ATOM 47 C ILE A 21 0.409 14.835 8.064 1.00 0.00 C ATOM 48 O ILE A 21 1.260 15.046 7.225 1.00 0.00 O ATOM 49 CB ILE A 21 0.871 12.694 9.332 1.00 0.00 C ATOM 50 CG1 ILE A 21 1.786 12.178 10.448 1.00 0.00 C ATOM 51 CG2 ILE A 21 1.457 12.283 7.977 1.00 0.00 C ATOM 52 CD1 ILE A 21 1.412 12.838 11.777 1.00 0.00 C ATOM 0 H ILE A 21 -0.802 13.637 10.748 1.00 0.00 H new ATOM 0 HA ILE A 21 1.710 14.672 9.726 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.126 12.266 9.439 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.696 11.095 10.532 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.827 12.393 10.205 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.527 11.196 7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.810 12.643 7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.451 12.717 7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.067 12.466 12.565 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.525 13.919 11.691 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.377 12.600 12.023 1.00 0.00 H new ATOM 64 N ARG A 22 -0.843 15.126 7.845 1.00 0.00 N ATOM 65 CA ARG A 22 -1.245 15.730 6.549 1.00 0.00 C ATOM 66 C ARG A 22 -1.072 17.251 6.614 1.00 0.00 C ATOM 67 O ARG A 22 -0.357 17.839 5.827 1.00 0.00 O ATOM 68 CB ARG A 22 -2.717 15.344 6.380 1.00 0.00 C ATOM 69 CG ARG A 22 -3.413 16.340 5.454 1.00 0.00 C ATOM 70 CD ARG A 22 -2.586 16.518 4.177 1.00 0.00 C ATOM 71 NE ARG A 22 -2.821 15.275 3.392 1.00 0.00 N ATOM 72 CZ ARG A 22 -2.150 15.061 2.294 1.00 0.00 C ATOM 73 NH1 ARG A 22 -0.875 14.782 2.352 1.00 0.00 N ATOM 74 NH2 ARG A 22 -2.752 15.125 1.138 1.00 0.00 N ATOM 0 H ARG A 22 -1.603 14.971 8.508 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.643 15.382 5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.793 14.337 5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.212 15.330 7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.413 15.984 5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.533 17.299 5.959 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.902 17.401 3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.528 16.647 4.406 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.506 14.591 3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.405 14.732 3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.350 14.615 1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.748 15.342 1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.227 14.958 0.280 1.00 0.00 H new ATOM 86 N LYS A 23 -1.718 17.892 7.550 1.00 0.00 N ATOM 87 CA LYS A 23 -1.587 19.371 7.666 1.00 0.00 C ATOM 88 C LYS A 23 -0.108 19.766 7.644 1.00 0.00 C ATOM 89 O LYS A 23 0.268 20.774 7.080 1.00 0.00 O ATOM 90 CB LYS A 23 -2.217 19.722 9.014 1.00 0.00 C ATOM 91 CG LYS A 23 -3.665 20.169 8.801 1.00 0.00 C ATOM 92 CD LYS A 23 -4.178 20.862 10.065 1.00 0.00 C ATOM 93 CE LYS A 23 -4.335 22.360 9.798 1.00 0.00 C ATOM 94 NZ LYS A 23 -5.422 22.803 10.717 1.00 0.00 N ATOM 0 H LYS A 23 -2.330 17.455 8.239 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.072 19.897 6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.186 18.858 9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.648 20.516 9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.725 20.849 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.291 19.308 8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.134 20.433 10.365 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.483 20.700 10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.407 22.896 9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.596 22.550 8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.588 23.822 10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.295 22.281 10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.142 22.616 11.701 1.00 0.00 H new ATOM 108 N LYS A 24 0.734 18.977 8.254 1.00 0.00 N ATOM 109 CA LYS A 24 2.188 19.303 8.267 1.00 0.00 C ATOM 110 C LYS A 24 2.841 18.789 6.988 1.00 0.00 C ATOM 111 O LYS A 24 3.587 19.487 6.332 1.00 0.00 O ATOM 112 CB LYS A 24 2.765 18.571 9.481 1.00 0.00 C ATOM 113 CG LYS A 24 1.815 18.691 10.674 1.00 0.00 C ATOM 114 CD LYS A 24 2.484 19.511 11.779 1.00 0.00 C ATOM 115 CE LYS A 24 1.676 19.382 13.073 1.00 0.00 C ATOM 116 NZ LYS A 24 0.638 20.446 12.986 1.00 0.00 N ATOM 0 H LYS A 24 0.477 18.120 8.744 1.00 0.00 H new ATOM 0 HA LYS A 24 2.365 20.377 8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.925 17.520 9.239 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.738 18.990 9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.885 19.168 10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.556 17.700 11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.504 19.161 11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.549 20.558 11.481 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.223 18.394 13.159 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.309 19.519 13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.043 20.421 13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.099 21.375 12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.046 20.286 12.146 1.00 0.00 H new ATOM 130 N TYR A 25 2.568 17.564 6.635 1.00 0.00 N ATOM 131 CA TYR A 25 3.175 16.992 5.400 1.00 0.00 C ATOM 132 C TYR A 25 2.106 16.751 4.327 1.00 0.00 C ATOM 133 O TYR A 25 1.851 15.624 3.951 1.00 0.00 O ATOM 134 CB TYR A 25 3.785 15.666 5.850 1.00 0.00 C ATOM 135 CG TYR A 25 4.574 15.877 7.120 1.00 0.00 C ATOM 136 CD1 TYR A 25 5.804 16.545 7.079 1.00 0.00 C ATOM 137 CD2 TYR A 25 4.075 15.406 8.340 1.00 0.00 C ATOM 138 CE1 TYR A 25 6.535 16.741 8.257 1.00 0.00 C ATOM 139 CE2 TYR A 25 4.805 15.602 9.519 1.00 0.00 C ATOM 140 CZ TYR A 25 6.035 16.270 9.477 1.00 0.00 C ATOM 141 OH TYR A 25 6.753 16.464 10.639 1.00 0.00 O ATOM 0 H TYR A 25 1.951 16.934 7.148 1.00 0.00 H new ATOM 0 HA TYR A 25 3.912 17.662 4.957 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.998 14.930 6.017 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.433 15.269 5.069 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.189 16.909 6.138 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.126 14.891 8.372 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.484 17.255 8.225 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.420 15.238 10.460 1.00 0.00 H new ATOM 0 HH TYR A 25 6.263 16.077 11.395 1.00 0.00 H new ATOM 151 N PRO A 26 1.522 17.824 3.861 1.00 0.00 N ATOM 152 CA PRO A 26 0.476 17.725 2.811 1.00 0.00 C ATOM 153 C PRO A 26 1.106 17.357 1.465 1.00 0.00 C ATOM 154 O PRO A 26 0.418 17.146 0.484 1.00 0.00 O ATOM 155 CB PRO A 26 -0.115 19.131 2.763 1.00 0.00 C ATOM 156 CG PRO A 26 0.970 20.022 3.275 1.00 0.00 C ATOM 157 CD PRO A 26 1.771 19.213 4.261 1.00 0.00 C ATOM 0 HA PRO A 26 -0.271 16.959 3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.404 19.404 1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.011 19.204 3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.602 20.370 2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.550 20.907 3.753 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.832 19.459 4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.448 19.398 5.286 1.00 0.00 H new ATOM 165 N ASP A 27 2.408 17.284 1.406 1.00 0.00 N ATOM 166 CA ASP A 27 3.077 16.934 0.120 1.00 0.00 C ATOM 167 C ASP A 27 3.357 15.430 0.053 1.00 0.00 C ATOM 168 O ASP A 27 3.782 14.914 -0.960 1.00 0.00 O ATOM 169 CB ASP A 27 4.387 17.724 0.129 1.00 0.00 C ATOM 170 CG ASP A 27 4.627 18.328 -1.256 1.00 0.00 C ATOM 171 OD1 ASP A 27 3.685 18.379 -2.030 1.00 0.00 O ATOM 172 OD2 ASP A 27 5.749 18.728 -1.520 1.00 0.00 O ATOM 0 H ASP A 27 3.037 17.451 2.191 1.00 0.00 H new ATOM 0 HA ASP A 27 2.458 17.176 -0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.343 18.513 0.879 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.216 17.071 0.402 1.00 0.00 H new ATOM 177 N ARG A 28 3.120 14.721 1.124 1.00 0.00 N ATOM 178 CA ARG A 28 3.373 13.251 1.113 1.00 0.00 C ATOM 179 C ARG A 28 2.071 12.496 0.837 1.00 0.00 C ATOM 180 O ARG A 28 1.108 13.057 0.354 1.00 0.00 O ATOM 181 CB ARG A 28 3.898 12.926 2.513 1.00 0.00 C ATOM 182 CG ARG A 28 5.428 12.931 2.499 1.00 0.00 C ATOM 183 CD ARG A 28 5.938 14.369 2.613 1.00 0.00 C ATOM 184 NE ARG A 28 7.309 14.247 3.184 1.00 0.00 N ATOM 185 CZ ARG A 28 7.750 15.145 4.022 1.00 0.00 C ATOM 186 NH1 ARG A 28 8.289 16.246 3.575 1.00 0.00 N ATOM 187 NH2 ARG A 28 7.650 14.941 5.308 1.00 0.00 N ATOM 0 H ARG A 28 2.763 15.095 2.003 1.00 0.00 H new ATOM 0 HA ARG A 28 4.081 12.959 0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.528 13.658 3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.530 11.951 2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.811 12.332 3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.795 12.476 1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.958 14.859 1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.294 14.967 3.258 1.00 0.00 H new ATOM 0 HE ARG A 28 7.903 13.461 2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.366 16.405 2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.634 16.948 4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.228 14.080 5.657 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.994 15.642 5.964 1.00 0.00 H new ATOM 199 N VAL A 29 2.032 11.227 1.140 1.00 0.00 N ATOM 200 CA VAL A 29 0.788 10.442 0.894 1.00 0.00 C ATOM 201 C VAL A 29 0.601 9.388 1.988 1.00 0.00 C ATOM 202 O VAL A 29 1.303 8.393 2.026 1.00 0.00 O ATOM 203 CB VAL A 29 0.993 9.777 -0.470 1.00 0.00 C ATOM 204 CG1 VAL A 29 -0.014 8.638 -0.644 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.782 10.811 -1.578 1.00 0.00 C ATOM 0 H VAL A 29 2.805 10.701 1.546 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.103 11.070 0.906 1.00 0.00 H new ATOM 0 HB VAL A 29 2.006 9.379 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.134 8.167 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.133 7.899 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.027 9.036 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.928 10.338 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.231 11.209 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.499 11.624 -1.459 1.00 0.00 H new ATOM 215 N PRO A 30 -0.352 9.647 2.845 1.00 0.00 N ATOM 216 CA PRO A 30 -0.662 8.715 3.954 1.00 0.00 C ATOM 217 C PRO A 30 -1.463 7.522 3.425 1.00 0.00 C ATOM 218 O PRO A 30 -2.680 7.518 3.434 1.00 0.00 O ATOM 219 CB PRO A 30 -1.505 9.558 4.905 1.00 0.00 C ATOM 220 CG PRO A 30 -2.121 10.620 4.048 1.00 0.00 C ATOM 221 CD PRO A 30 -1.221 10.828 2.856 1.00 0.00 C ATOM 0 HA PRO A 30 0.225 8.303 4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.269 8.954 5.394 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.891 9.995 5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.118 10.321 3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.232 11.548 4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.796 10.907 1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.642 11.747 2.951 1.00 0.00 H new ATOM 229 N VAL A 31 -0.786 6.517 2.945 1.00 0.00 N ATOM 230 CA VAL A 31 -1.495 5.331 2.395 1.00 0.00 C ATOM 231 C VAL A 31 -1.931 4.380 3.515 1.00 0.00 C ATOM 232 O VAL A 31 -1.173 4.074 4.414 1.00 0.00 O ATOM 233 CB VAL A 31 -0.476 4.646 1.465 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.417 5.688 0.783 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.401 3.663 2.253 1.00 0.00 C ATOM 0 H VAL A 31 0.232 6.467 2.910 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.404 5.616 1.866 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.033 4.098 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.130 5.185 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.200 6.365 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.957 6.256 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.114 3.190 1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.941 4.201 3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.228 2.899 2.709 1.00 0.00 H new ATOM 245 N ILE A 32 -3.135 3.886 3.445 1.00 0.00 N ATOM 246 CA ILE A 32 -3.609 2.925 4.480 1.00 0.00 C ATOM 247 C ILE A 32 -3.304 1.510 3.994 1.00 0.00 C ATOM 248 O ILE A 32 -3.442 1.207 2.825 1.00 0.00 O ATOM 249 CB ILE A 32 -5.117 3.147 4.593 1.00 0.00 C ATOM 250 CG1 ILE A 32 -5.387 4.584 5.045 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.701 2.175 5.620 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.753 4.815 6.418 1.00 0.00 C ATOM 0 H ILE A 32 -3.812 4.106 2.715 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.126 3.065 5.447 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.583 2.975 3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.977 5.287 4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.461 4.766 5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.776 2.333 5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.508 1.150 5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.235 2.348 6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.945 5.838 6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.184 4.121 7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.677 4.651 6.354 1.00 0.00 H new ATOM 264 N VAL A 33 -2.863 0.646 4.860 1.00 0.00 N ATOM 265 CA VAL A 33 -2.528 -0.728 4.406 1.00 0.00 C ATOM 266 C VAL A 33 -3.264 -1.784 5.236 1.00 0.00 C ATOM 267 O VAL A 33 -3.395 -1.680 6.439 1.00 0.00 O ATOM 268 CB VAL A 33 -1.009 -0.822 4.582 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.574 -2.281 4.752 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.335 -0.234 3.342 1.00 0.00 C ATOM 0 H VAL A 33 -2.721 0.829 5.853 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.833 -0.914 3.376 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.717 -0.268 5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.508 -2.326 4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.058 -2.705 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.862 -2.852 3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.748 -0.294 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.641 -0.797 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.630 0.809 3.227 1.00 0.00 H new ATOM 280 N GLU A 34 -3.729 -2.807 4.577 1.00 0.00 N ATOM 281 CA GLU A 34 -4.450 -3.907 5.273 1.00 0.00 C ATOM 282 C GLU A 34 -4.361 -5.183 4.430 1.00 0.00 C ATOM 283 O GLU A 34 -3.861 -5.170 3.320 1.00 0.00 O ATOM 284 CB GLU A 34 -5.898 -3.429 5.382 1.00 0.00 C ATOM 285 CG GLU A 34 -6.326 -3.428 6.850 1.00 0.00 C ATOM 286 CD GLU A 34 -7.794 -3.010 6.955 1.00 0.00 C ATOM 287 OE1 GLU A 34 -8.627 -3.691 6.379 1.00 0.00 O ATOM 288 OE2 GLU A 34 -8.061 -2.015 7.609 1.00 0.00 O ATOM 0 H GLU A 34 -3.638 -2.929 3.568 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.031 -4.134 6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.994 -2.427 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.552 -4.080 4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.188 -4.420 7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.700 -2.743 7.422 1.00 0.00 H new ATOM 295 N LYS A 35 -4.839 -6.284 4.936 1.00 0.00 N ATOM 296 CA LYS A 35 -4.772 -7.545 4.144 1.00 0.00 C ATOM 297 C LYS A 35 -6.135 -7.863 3.532 1.00 0.00 C ATOM 298 O LYS A 35 -7.160 -7.390 3.983 1.00 0.00 O ATOM 299 CB LYS A 35 -4.380 -8.632 5.142 1.00 0.00 C ATOM 300 CG LYS A 35 -3.222 -9.457 4.573 1.00 0.00 C ATOM 301 CD LYS A 35 -1.972 -8.581 4.465 1.00 0.00 C ATOM 302 CE LYS A 35 -1.580 -8.070 5.855 1.00 0.00 C ATOM 303 NZ LYS A 35 -1.707 -9.252 6.752 1.00 0.00 N ATOM 0 H LYS A 35 -5.270 -6.367 5.857 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.060 -7.467 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.087 -8.181 6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.234 -9.278 5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.023 -10.315 5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.489 -9.849 3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.151 -9.153 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.161 -7.740 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.562 -7.679 5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.234 -7.259 6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.061 -9.146 7.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.685 -9.322 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.464 -10.115 6.225 1.00 0.00 H new ATOM 317 N ALA A 36 -6.151 -8.673 2.514 1.00 0.00 N ATOM 318 CA ALA A 36 -7.444 -9.042 1.870 1.00 0.00 C ATOM 319 C ALA A 36 -8.299 -9.837 2.862 1.00 0.00 C ATOM 320 O ALA A 36 -7.919 -10.004 4.004 1.00 0.00 O ATOM 321 CB ALA A 36 -7.057 -9.909 0.669 1.00 0.00 C ATOM 0 H ALA A 36 -5.323 -9.098 2.097 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.027 -8.173 1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.958 -10.222 0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.422 -9.334 -0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.515 -10.789 1.015 1.00 0.00 H new ATOM 327 N PRO A 37 -9.426 -10.310 2.399 1.00 0.00 N ATOM 328 CA PRO A 37 -10.323 -11.099 3.275 1.00 0.00 C ATOM 329 C PRO A 37 -9.712 -12.478 3.539 1.00 0.00 C ATOM 330 O PRO A 37 -9.673 -13.328 2.672 1.00 0.00 O ATOM 331 CB PRO A 37 -11.613 -11.209 2.467 1.00 0.00 C ATOM 332 CG PRO A 37 -11.193 -11.042 1.042 1.00 0.00 C ATOM 333 CD PRO A 37 -9.967 -10.164 1.042 1.00 0.00 C ATOM 0 HA PRO A 37 -10.487 -10.645 4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.097 -12.173 2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.329 -10.441 2.760 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.974 -12.009 0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.992 -10.588 0.455 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.247 -10.484 0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.219 -9.127 0.822 1.00 0.00 H new ATOM 341 N LYS A 38 -9.225 -12.699 4.730 1.00 0.00 N ATOM 342 CA LYS A 38 -8.607 -14.016 5.050 1.00 0.00 C ATOM 343 C LYS A 38 -7.367 -14.239 4.179 1.00 0.00 C ATOM 344 O LYS A 38 -7.117 -15.327 3.703 1.00 0.00 O ATOM 345 CB LYS A 38 -9.689 -15.043 4.727 1.00 0.00 C ATOM 346 CG LYS A 38 -10.148 -15.723 6.018 1.00 0.00 C ATOM 347 CD LYS A 38 -8.957 -16.419 6.680 1.00 0.00 C ATOM 348 CE LYS A 38 -9.106 -16.353 8.202 1.00 0.00 C ATOM 349 NZ LYS A 38 -8.852 -17.743 8.674 1.00 0.00 N ATOM 0 H LYS A 38 -9.229 -12.024 5.495 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.279 -14.085 6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.534 -14.556 4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.303 -15.786 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.576 -14.986 6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.932 -16.449 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.903 -17.458 6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.027 -15.940 6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.395 -15.652 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.102 -16.015 8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.936 -17.779 9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.548 -18.387 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.894 -18.035 8.394 1.00 0.00 H new ATOM 363 N ALA A 39 -6.586 -13.211 3.971 1.00 0.00 N ATOM 364 CA ALA A 39 -5.360 -13.362 3.134 1.00 0.00 C ATOM 365 C ALA A 39 -4.462 -14.460 3.709 1.00 0.00 C ATOM 366 O ALA A 39 -4.827 -15.143 4.644 1.00 0.00 O ATOM 367 CB ALA A 39 -4.661 -12.004 3.206 1.00 0.00 C ATOM 0 H ALA A 39 -6.744 -12.275 4.344 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.592 -13.646 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.747 -12.034 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.323 -11.233 2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.414 -11.776 4.243 1.00 0.00 H new ATOM 373 N ARG A 40 -3.292 -14.637 3.159 1.00 0.00 N ATOM 374 CA ARG A 40 -2.381 -15.696 3.683 1.00 0.00 C ATOM 375 C ARG A 40 -0.915 -15.302 3.479 1.00 0.00 C ATOM 376 O ARG A 40 -0.061 -16.145 3.294 1.00 0.00 O ATOM 377 CB ARG A 40 -2.718 -16.945 2.868 1.00 0.00 C ATOM 378 CG ARG A 40 -2.346 -16.717 1.403 1.00 0.00 C ATOM 379 CD ARG A 40 -1.520 -17.901 0.894 1.00 0.00 C ATOM 380 NE ARG A 40 -2.277 -19.111 1.320 1.00 0.00 N ATOM 381 CZ ARG A 40 -1.646 -20.127 1.841 1.00 0.00 C ATOM 382 NH1 ARG A 40 -0.688 -20.712 1.173 1.00 0.00 N ATOM 383 NH2 ARG A 40 -1.970 -20.558 3.029 1.00 0.00 N ATOM 0 H ARG A 40 -2.928 -14.098 2.373 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.514 -15.854 4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.177 -17.805 3.262 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.781 -17.171 2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.248 -16.604 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.777 -15.793 1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.408 -17.867 -0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.516 -17.894 1.319 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.290 -19.145 1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.434 -20.374 0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.194 -21.506 1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.717 -20.101 3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.476 -21.352 3.436 1.00 0.00 H new ATOM 395 N ILE A 41 -0.609 -14.032 3.517 1.00 0.00 N ATOM 396 CA ILE A 41 0.810 -13.614 3.329 1.00 0.00 C ATOM 397 C ILE A 41 1.535 -13.551 4.680 1.00 0.00 C ATOM 398 O ILE A 41 0.955 -13.785 5.723 1.00 0.00 O ATOM 399 CB ILE A 41 0.781 -12.249 2.613 1.00 0.00 C ATOM 400 CG1 ILE A 41 0.044 -11.172 3.427 1.00 0.00 C ATOM 401 CG2 ILE A 41 0.077 -12.407 1.265 1.00 0.00 C ATOM 402 CD1 ILE A 41 0.827 -10.836 4.690 1.00 0.00 C ATOM 0 H ILE A 41 -1.273 -13.273 3.669 1.00 0.00 H new ATOM 0 HA ILE A 41 1.364 -14.333 2.726 1.00 0.00 H new ATOM 0 HB ILE A 41 1.814 -11.925 2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.086 -10.275 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.953 -11.525 3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.052 -11.445 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.618 -13.130 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.942 -12.758 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.294 -10.072 5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.934 -11.732 5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.814 -10.462 4.418 1.00 0.00 H new ATOM 414 N GLY A 42 2.810 -13.269 4.661 1.00 0.00 N ATOM 415 CA GLY A 42 3.603 -13.223 5.932 1.00 0.00 C ATOM 416 C GLY A 42 2.927 -12.331 6.970 1.00 0.00 C ATOM 417 O GLY A 42 1.832 -11.853 6.784 1.00 0.00 O ATOM 0 H GLY A 42 3.343 -13.067 3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.714 -14.231 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.606 -12.850 5.725 1.00 0.00 H new ATOM 421 N ASP A 43 3.581 -12.110 8.073 1.00 0.00 N ATOM 422 CA ASP A 43 2.988 -11.250 9.135 1.00 0.00 C ATOM 423 C ASP A 43 2.991 -9.787 8.682 1.00 0.00 C ATOM 424 O ASP A 43 3.358 -9.476 7.566 1.00 0.00 O ATOM 425 CB ASP A 43 3.895 -11.440 10.351 1.00 0.00 C ATOM 426 CG ASP A 43 3.093 -11.197 11.631 1.00 0.00 C ATOM 427 OD1 ASP A 43 1.903 -10.948 11.522 1.00 0.00 O ATOM 428 OD2 ASP A 43 3.682 -11.266 12.697 1.00 0.00 O ATOM 0 H ASP A 43 4.504 -12.488 8.287 1.00 0.00 H new ATOM 0 HA ASP A 43 1.954 -11.514 9.357 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.309 -12.448 10.355 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.737 -10.750 10.301 1.00 0.00 H new ATOM 433 N LEU A 44 2.578 -8.887 9.532 1.00 0.00 N ATOM 434 CA LEU A 44 2.553 -7.453 9.137 1.00 0.00 C ATOM 435 C LEU A 44 3.132 -6.575 10.252 1.00 0.00 C ATOM 436 O LEU A 44 2.795 -6.719 11.411 1.00 0.00 O ATOM 437 CB LEU A 44 1.070 -7.150 8.911 1.00 0.00 C ATOM 438 CG LEU A 44 0.380 -6.852 10.247 1.00 0.00 C ATOM 439 CD1 LEU A 44 0.497 -5.360 10.560 1.00 0.00 C ATOM 440 CD2 LEU A 44 -1.098 -7.237 10.152 1.00 0.00 C ATOM 0 H LEU A 44 2.258 -9.083 10.480 1.00 0.00 H new ATOM 0 HA LEU A 44 3.155 -7.251 8.251 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.964 -6.297 8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.588 -7.999 8.426 1.00 0.00 H new ATOM 0 HG LEU A 44 0.858 -7.428 11.040 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.006 -5.148 11.510 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.549 -5.083 10.625 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.019 -4.784 9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.591 -7.026 11.101 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.574 -6.660 9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.183 -8.300 9.928 1.00 0.00 H new ATOM 452 N ASP A 45 4.003 -5.666 9.907 1.00 0.00 N ATOM 453 CA ASP A 45 4.604 -4.776 10.941 1.00 0.00 C ATOM 454 C ASP A 45 3.710 -3.554 11.172 1.00 0.00 C ATOM 455 O ASP A 45 3.494 -3.135 12.292 1.00 0.00 O ATOM 456 CB ASP A 45 5.955 -4.350 10.365 1.00 0.00 C ATOM 457 CG ASP A 45 7.049 -5.286 10.881 1.00 0.00 C ATOM 458 OD1 ASP A 45 6.983 -6.466 10.579 1.00 0.00 O ATOM 459 OD2 ASP A 45 7.935 -4.808 11.570 1.00 0.00 O ATOM 0 H ASP A 45 4.325 -5.501 8.953 1.00 0.00 H new ATOM 0 HA ASP A 45 4.712 -5.277 11.903 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.923 -4.377 9.276 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.176 -3.322 10.652 1.00 0.00 H new ATOM 464 N LYS A 46 3.191 -2.979 10.120 1.00 0.00 N ATOM 465 CA LYS A 46 2.314 -1.782 10.283 1.00 0.00 C ATOM 466 C LYS A 46 1.322 -1.688 9.119 1.00 0.00 C ATOM 467 O LYS A 46 1.595 -2.135 8.023 1.00 0.00 O ATOM 468 CB LYS A 46 3.270 -0.589 10.269 1.00 0.00 C ATOM 469 CG LYS A 46 3.855 -0.419 8.865 1.00 0.00 C ATOM 470 CD LYS A 46 5.382 -0.504 8.935 1.00 0.00 C ATOM 471 CE LYS A 46 5.911 0.572 9.883 1.00 0.00 C ATOM 472 NZ LYS A 46 7.296 0.854 9.411 1.00 0.00 N ATOM 0 H LYS A 46 3.335 -3.285 9.158 1.00 0.00 H new ATOM 0 HA LYS A 46 1.724 -1.824 11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.742 0.317 10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.071 -0.743 10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.467 -1.192 8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.552 0.541 8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.686 -1.491 9.283 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.810 -0.370 7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.292 1.468 9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.909 0.224 10.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.428 1.881 9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.980 0.478 10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.447 0.400 8.488 1.00 0.00 H new ATOM 486 N LYS A 47 0.173 -1.105 9.343 1.00 0.00 N ATOM 487 CA LYS A 47 -0.824 -0.980 8.241 1.00 0.00 C ATOM 488 C LYS A 47 -0.965 0.484 7.838 1.00 0.00 C ATOM 489 O LYS A 47 -2.052 1.016 7.741 1.00 0.00 O ATOM 490 CB LYS A 47 -2.136 -1.507 8.824 1.00 0.00 C ATOM 491 CG LYS A 47 -2.287 -2.990 8.482 1.00 0.00 C ATOM 492 CD LYS A 47 -1.650 -3.835 9.586 1.00 0.00 C ATOM 493 CE LYS A 47 -2.677 -4.092 10.691 1.00 0.00 C ATOM 494 NZ LYS A 47 -2.190 -3.308 11.860 1.00 0.00 N ATOM 0 H LYS A 47 -0.116 -0.712 10.238 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.530 -1.534 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.147 -1.369 9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.978 -0.943 8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.342 -3.244 8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.811 -3.204 7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.297 -4.781 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.780 -3.321 9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.673 -3.770 10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.744 -5.154 10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.481 -3.780 12.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.152 -3.245 11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.596 -2.351 11.830 1.00 0.00 H new ATOM 508 N LYS A 48 0.135 1.138 7.607 1.00 0.00 N ATOM 509 CA LYS A 48 0.085 2.572 7.205 1.00 0.00 C ATOM 510 C LYS A 48 1.470 3.026 6.747 1.00 0.00 C ATOM 511 O LYS A 48 2.388 3.128 7.536 1.00 0.00 O ATOM 512 CB LYS A 48 -0.339 3.323 8.468 1.00 0.00 C ATOM 513 CG LYS A 48 0.759 3.200 9.528 1.00 0.00 C ATOM 514 CD LYS A 48 0.124 3.176 10.920 1.00 0.00 C ATOM 515 CE LYS A 48 0.912 2.227 11.824 1.00 0.00 C ATOM 516 NZ LYS A 48 0.882 2.864 13.169 1.00 0.00 N ATOM 0 H LYS A 48 1.072 0.741 7.679 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.603 2.753 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.520 4.373 8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.275 2.915 8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.337 2.290 9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.453 4.037 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.118 4.179 11.346 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.915 2.852 10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.459 1.236 11.846 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.935 2.102 11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.403 2.271 13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.326 3.803 13.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.104 2.964 13.484 1.00 0.00 H new ATOM 530 N TYR A 49 1.636 3.298 5.482 1.00 0.00 N ATOM 531 CA TYR A 49 2.975 3.740 5.002 1.00 0.00 C ATOM 532 C TYR A 49 2.948 5.224 4.644 1.00 0.00 C ATOM 533 O TYR A 49 1.999 5.724 4.074 1.00 0.00 O ATOM 534 CB TYR A 49 3.267 2.904 3.756 1.00 0.00 C ATOM 535 CG TYR A 49 3.451 1.453 4.136 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.383 0.721 4.673 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.695 0.842 3.951 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.564 -0.623 5.025 1.00 0.00 C ATOM 539 CE2 TYR A 49 4.875 -0.501 4.301 1.00 0.00 C ATOM 540 CZ TYR A 49 3.810 -1.234 4.840 1.00 0.00 C ATOM 541 OH TYR A 49 3.987 -2.558 5.187 1.00 0.00 O ATOM 0 H TYR A 49 0.911 3.234 4.767 1.00 0.00 H new ATOM 0 HA TYR A 49 3.739 3.605 5.768 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.448 3.000 3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.165 3.275 3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.422 1.192 4.815 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.518 1.407 3.538 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.742 -1.188 5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.836 -0.973 4.155 1.00 0.00 H new ATOM 0 HH TYR A 49 3.490 -3.129 4.564 1.00 0.00 H new ATOM 551 N LEU A 50 3.998 5.921 4.959 1.00 0.00 N ATOM 552 CA LEU A 50 4.067 7.371 4.627 1.00 0.00 C ATOM 553 C LEU A 50 4.994 7.554 3.428 1.00 0.00 C ATOM 554 O LEU A 50 6.194 7.678 3.573 1.00 0.00 O ATOM 555 CB LEU A 50 4.648 8.041 5.872 1.00 0.00 C ATOM 556 CG LEU A 50 3.566 8.878 6.557 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.410 7.971 6.982 1.00 0.00 C ATOM 558 CD2 LEU A 50 4.156 9.561 7.794 1.00 0.00 C ATOM 0 H LEU A 50 4.819 5.548 5.436 1.00 0.00 H new ATOM 0 HA LEU A 50 3.099 7.799 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.028 7.286 6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.492 8.674 5.596 1.00 0.00 H new ATOM 0 HG LEU A 50 3.199 9.634 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.640 8.568 7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.989 7.483 6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.777 7.215 7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.386 10.158 8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.523 8.804 8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.980 10.208 7.494 1.00 0.00 H new ATOM 570 N VAL A 51 4.453 7.548 2.243 1.00 0.00 N ATOM 571 CA VAL A 51 5.314 7.696 1.036 1.00 0.00 C ATOM 572 C VAL A 51 5.006 9.009 0.317 1.00 0.00 C ATOM 573 O VAL A 51 3.885 9.469 0.322 1.00 0.00 O ATOM 574 CB VAL A 51 4.953 6.498 0.156 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.277 5.197 0.899 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.458 6.539 -0.166 1.00 0.00 C ATOM 0 H VAL A 51 3.455 7.447 2.057 1.00 0.00 H new ATOM 0 HA VAL A 51 6.376 7.720 1.282 1.00 0.00 H new ATOM 0 HB VAL A 51 5.529 6.540 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.019 4.345 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.341 5.167 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.701 5.153 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.197 5.686 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.885 6.497 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.225 7.463 -0.695 1.00 0.00 H new ATOM 586 N PRO A 52 6.019 9.571 -0.284 1.00 0.00 N ATOM 587 CA PRO A 52 5.851 10.847 -1.020 1.00 0.00 C ATOM 588 C PRO A 52 5.045 10.604 -2.303 1.00 0.00 C ATOM 589 O PRO A 52 5.067 9.528 -2.868 1.00 0.00 O ATOM 590 CB PRO A 52 7.285 11.277 -1.322 1.00 0.00 C ATOM 591 CG PRO A 52 8.078 10.011 -1.309 1.00 0.00 C ATOM 592 CD PRO A 52 7.400 9.080 -0.337 1.00 0.00 C ATOM 0 HA PRO A 52 5.306 11.610 -0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.352 11.775 -2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.652 11.981 -0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.116 9.569 -2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.107 10.203 -1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.444 8.046 -0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.874 9.113 0.644 1.00 0.00 H new ATOM 600 N SER A 53 4.312 11.588 -2.747 1.00 0.00 N ATOM 601 CA SER A 53 3.476 11.415 -3.973 1.00 0.00 C ATOM 602 C SER A 53 4.342 11.189 -5.220 1.00 0.00 C ATOM 603 O SER A 53 3.850 10.800 -6.261 1.00 0.00 O ATOM 604 CB SER A 53 2.691 12.723 -4.097 1.00 0.00 C ATOM 605 OG SER A 53 2.472 13.268 -2.801 1.00 0.00 O ATOM 0 H SER A 53 4.255 12.509 -2.313 1.00 0.00 H new ATOM 0 HA SER A 53 2.828 10.542 -3.896 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.242 13.433 -4.714 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.738 12.542 -4.593 1.00 0.00 H new ATOM 0 HG SER A 53 3.162 13.936 -2.606 1.00 0.00 H new ATOM 611 N ASP A 54 5.618 11.437 -5.135 1.00 0.00 N ATOM 612 CA ASP A 54 6.495 11.244 -6.327 1.00 0.00 C ATOM 613 C ASP A 54 7.013 9.801 -6.407 1.00 0.00 C ATOM 614 O ASP A 54 7.537 9.381 -7.420 1.00 0.00 O ATOM 615 CB ASP A 54 7.657 12.216 -6.121 1.00 0.00 C ATOM 616 CG ASP A 54 8.403 12.409 -7.442 1.00 0.00 C ATOM 617 OD1 ASP A 54 7.792 12.896 -8.379 1.00 0.00 O ATOM 618 OD2 ASP A 54 9.574 12.071 -7.494 1.00 0.00 O ATOM 0 H ASP A 54 6.093 11.765 -4.294 1.00 0.00 H new ATOM 0 HA ASP A 54 5.957 11.428 -7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.284 13.174 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.336 11.831 -5.361 1.00 0.00 H new ATOM 623 N LEU A 55 6.889 9.043 -5.351 1.00 0.00 N ATOM 624 CA LEU A 55 7.397 7.636 -5.385 1.00 0.00 C ATOM 625 C LEU A 55 6.669 6.803 -6.439 1.00 0.00 C ATOM 626 O LEU A 55 5.490 6.972 -6.680 1.00 0.00 O ATOM 627 CB LEU A 55 7.107 7.054 -3.999 1.00 0.00 C ATOM 628 CG LEU A 55 8.401 6.972 -3.187 1.00 0.00 C ATOM 629 CD1 LEU A 55 8.160 6.124 -1.938 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.504 6.320 -4.026 1.00 0.00 C ATOM 0 H LEU A 55 6.462 9.332 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 55 8.458 7.620 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.380 7.677 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.665 6.062 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 55 8.709 7.978 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.080 6.063 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.378 6.582 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.850 5.121 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.422 6.265 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.196 5.315 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.680 6.915 -4.922 1.00 0.00 H new ATOM 642 N THR A 56 7.367 5.883 -7.047 1.00 0.00 N ATOM 643 CA THR A 56 6.728 5.006 -8.065 1.00 0.00 C ATOM 644 C THR A 56 6.189 3.743 -7.387 1.00 0.00 C ATOM 645 O THR A 56 6.606 3.383 -6.300 1.00 0.00 O ATOM 646 CB THR A 56 7.848 4.655 -9.048 1.00 0.00 C ATOM 647 OG1 THR A 56 9.044 4.397 -8.327 1.00 0.00 O ATOM 648 CG2 THR A 56 8.070 5.821 -10.011 1.00 0.00 C ATOM 0 H THR A 56 8.357 5.701 -6.881 1.00 0.00 H new ATOM 0 HA THR A 56 5.889 5.488 -8.568 1.00 0.00 H new ATOM 0 HB THR A 56 7.568 3.768 -9.617 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.762 4.170 -8.955 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.868 5.569 -10.710 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.151 6.016 -10.564 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.350 6.711 -9.447 1.00 0.00 H new ATOM 656 N VAL A 57 5.272 3.062 -8.015 1.00 0.00 N ATOM 657 CA VAL A 57 4.718 1.823 -7.401 1.00 0.00 C ATOM 658 C VAL A 57 5.836 0.804 -7.177 1.00 0.00 C ATOM 659 O VAL A 57 5.722 -0.086 -6.358 1.00 0.00 O ATOM 660 CB VAL A 57 3.705 1.300 -8.416 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.226 -0.090 -7.992 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.510 2.254 -8.478 1.00 0.00 C ATOM 0 H VAL A 57 4.883 3.309 -8.925 1.00 0.00 H new ATOM 0 HA VAL A 57 4.259 2.008 -6.430 1.00 0.00 H new ATOM 0 HB VAL A 57 4.174 1.237 -9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.503 -0.463 -8.717 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.077 -0.770 -7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.757 -0.029 -7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.785 1.883 -9.202 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.042 2.316 -7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.850 3.244 -8.781 1.00 0.00 H new ATOM 672 N GLY A 58 6.917 0.927 -7.898 1.00 0.00 N ATOM 673 CA GLY A 58 8.043 -0.034 -7.726 1.00 0.00 C ATOM 674 C GLY A 58 8.728 0.215 -6.379 1.00 0.00 C ATOM 675 O GLY A 58 9.109 -0.709 -5.688 1.00 0.00 O ATOM 0 H GLY A 58 7.069 1.652 -8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.671 -1.058 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.761 0.082 -8.538 1.00 0.00 H new ATOM 679 N GLN A 59 8.887 1.455 -5.999 1.00 0.00 N ATOM 680 CA GLN A 59 9.546 1.756 -4.695 1.00 0.00 C ATOM 681 C GLN A 59 8.652 1.299 -3.539 1.00 0.00 C ATOM 682 O GLN A 59 9.094 0.627 -2.622 1.00 0.00 O ATOM 683 CB GLN A 59 9.716 3.275 -4.674 1.00 0.00 C ATOM 684 CG GLN A 59 10.512 3.714 -5.903 1.00 0.00 C ATOM 685 CD GLN A 59 11.860 4.287 -5.464 1.00 0.00 C ATOM 686 OE1 GLN A 59 12.076 5.481 -5.526 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.784 3.480 -5.018 1.00 0.00 N ATOM 0 H GLN A 59 8.590 2.271 -6.534 1.00 0.00 H new ATOM 0 HA GLN A 59 10.500 1.241 -4.585 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.740 3.761 -4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.232 3.582 -3.764 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.666 2.866 -6.571 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.952 4.463 -6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.604 2.477 -4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.686 3.852 -4.722 1.00 0.00 H new ATOM 696 N PHE A 60 7.398 1.652 -3.573 1.00 0.00 N ATOM 697 CA PHE A 60 6.493 1.226 -2.470 1.00 0.00 C ATOM 698 C PHE A 60 6.447 -0.303 -2.406 1.00 0.00 C ATOM 699 O PHE A 60 6.530 -0.889 -1.348 1.00 0.00 O ATOM 700 CB PHE A 60 5.115 1.793 -2.816 1.00 0.00 C ATOM 701 CG PHE A 60 4.153 1.465 -1.697 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.406 1.929 -0.401 1.00 0.00 C ATOM 703 CD2 PHE A 60 3.019 0.685 -1.952 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.523 1.614 0.641 1.00 0.00 C ATOM 705 CE2 PHE A 60 2.139 0.368 -0.908 1.00 0.00 C ATOM 706 CZ PHE A 60 2.393 0.833 0.387 1.00 0.00 C ATOM 0 H PHE A 60 6.964 2.211 -4.308 1.00 0.00 H new ATOM 0 HA PHE A 60 6.832 1.585 -1.498 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.176 2.872 -2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.759 1.370 -3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.282 2.530 -0.204 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.822 0.328 -2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.716 1.975 1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.265 -0.235 -1.103 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.715 0.588 1.191 1.00 0.00 H new ATOM 716 N TYR A 61 6.332 -0.958 -3.528 1.00 0.00 N ATOM 717 CA TYR A 61 6.298 -2.446 -3.512 1.00 0.00 C ATOM 718 C TYR A 61 7.508 -2.980 -2.752 1.00 0.00 C ATOM 719 O TYR A 61 7.477 -4.057 -2.190 1.00 0.00 O ATOM 720 CB TYR A 61 6.356 -2.855 -4.982 1.00 0.00 C ATOM 721 CG TYR A 61 5.255 -3.844 -5.283 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.316 -5.147 -4.771 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.172 -3.457 -6.080 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.294 -6.060 -5.056 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.149 -4.371 -6.366 1.00 0.00 C ATOM 726 CZ TYR A 61 3.210 -5.672 -5.854 1.00 0.00 C ATOM 727 OH TYR A 61 2.203 -6.572 -6.135 1.00 0.00 O ATOM 0 H TYR A 61 6.260 -0.529 -4.451 1.00 0.00 H new ATOM 0 HA TYR A 61 5.411 -2.843 -3.018 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.251 -1.976 -5.618 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.326 -3.298 -5.208 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.152 -5.447 -4.156 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.124 -2.453 -6.475 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.341 -7.064 -4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.314 -4.071 -6.981 1.00 0.00 H new ATOM 0 HH TYR A 61 1.496 -6.492 -5.461 1.00 0.00 H new ATOM 737 N PHE A 62 8.571 -2.230 -2.722 1.00 0.00 N ATOM 738 CA PHE A 62 9.776 -2.690 -1.987 1.00 0.00 C ATOM 739 C PHE A 62 9.538 -2.569 -0.482 1.00 0.00 C ATOM 740 O PHE A 62 9.811 -3.479 0.273 1.00 0.00 O ATOM 741 CB PHE A 62 10.900 -1.755 -2.433 1.00 0.00 C ATOM 742 CG PHE A 62 12.188 -2.536 -2.544 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.740 -3.138 -1.408 1.00 0.00 C ATOM 744 CD2 PHE A 62 12.827 -2.659 -3.784 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.933 -3.864 -1.511 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.020 -3.385 -3.886 1.00 0.00 C ATOM 747 CZ PHE A 62 14.572 -3.988 -2.750 1.00 0.00 C ATOM 0 H PHE A 62 8.657 -1.320 -3.174 1.00 0.00 H new ATOM 0 HA PHE A 62 10.018 -3.733 -2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.652 -1.303 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.016 -0.941 -1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.246 -3.043 -0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.400 -2.194 -4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.360 -4.328 -0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.514 -3.480 -4.842 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.491 -4.549 -2.830 1.00 0.00 H new ATOM 757 N LEU A 63 9.043 -1.447 -0.035 1.00 0.00 N ATOM 758 CA LEU A 63 8.812 -1.291 1.438 1.00 0.00 C ATOM 759 C LEU A 63 7.710 -2.239 1.954 1.00 0.00 C ATOM 760 O LEU A 63 7.632 -2.493 3.140 1.00 0.00 O ATOM 761 CB LEU A 63 8.475 0.194 1.717 1.00 0.00 C ATOM 762 CG LEU A 63 7.378 0.751 0.795 1.00 0.00 C ATOM 763 CD1 LEU A 63 6.004 0.247 1.231 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.396 2.279 0.887 1.00 0.00 C ATOM 0 H LEU A 63 8.791 -0.643 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 63 9.715 -1.570 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.156 0.299 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.378 0.793 1.599 1.00 0.00 H new ATOM 0 HG LEU A 63 7.567 0.421 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.240 0.652 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.985 -0.842 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.805 0.571 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.623 2.692 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.207 2.584 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.371 2.651 0.572 1.00 0.00 H new ATOM 776 N ILE A 64 6.876 -2.799 1.104 1.00 0.00 N ATOM 777 CA ILE A 64 5.839 -3.749 1.639 1.00 0.00 C ATOM 778 C ILE A 64 6.411 -5.165 1.660 1.00 0.00 C ATOM 779 O ILE A 64 6.190 -5.924 2.583 1.00 0.00 O ATOM 780 CB ILE A 64 4.623 -3.729 0.700 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.428 -2.350 0.073 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.373 -4.107 1.505 1.00 0.00 C ATOM 783 CD1 ILE A 64 3.018 -2.249 -0.516 1.00 0.00 C ATOM 0 H ILE A 64 6.865 -2.648 0.095 1.00 0.00 H new ATOM 0 HA ILE A 64 5.551 -3.450 2.647 1.00 0.00 H new ATOM 0 HB ILE A 64 4.791 -4.444 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.576 -1.574 0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.172 -2.185 -0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.502 -4.097 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.499 -5.105 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.229 -3.389 2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.880 -1.265 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.887 -3.016 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.282 -2.395 0.275 1.00 0.00 H new ATOM 795 N ARG A 65 7.130 -5.530 0.632 1.00 0.00 N ATOM 796 CA ARG A 65 7.709 -6.906 0.568 1.00 0.00 C ATOM 797 C ARG A 65 8.220 -7.342 1.948 1.00 0.00 C ATOM 798 O ARG A 65 7.959 -8.440 2.397 1.00 0.00 O ATOM 799 CB ARG A 65 8.851 -6.814 -0.458 1.00 0.00 C ATOM 800 CG ARG A 65 10.178 -6.482 0.235 1.00 0.00 C ATOM 801 CD ARG A 65 11.311 -6.508 -0.794 1.00 0.00 C ATOM 802 NE ARG A 65 11.571 -7.952 -1.045 1.00 0.00 N ATOM 803 CZ ARG A 65 12.660 -8.508 -0.589 1.00 0.00 C ATOM 804 NH1 ARG A 65 12.827 -8.658 0.696 1.00 0.00 N ATOM 805 NH2 ARG A 65 13.581 -8.916 -1.419 1.00 0.00 N ATOM 0 H ARG A 65 7.342 -4.934 -0.168 1.00 0.00 H new ATOM 0 HA ARG A 65 6.972 -7.653 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.942 -7.759 -0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.620 -6.048 -1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.120 -5.499 0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.376 -7.202 1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.023 -5.994 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.201 -6.007 -0.414 1.00 0.00 H new ATOM 0 HE ARG A 65 10.898 -8.507 -1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.106 -8.341 1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.678 -9.093 1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.449 -8.800 -2.424 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.432 -9.351 -1.063 1.00 0.00 H new ATOM 817 N LYS A 66 8.940 -6.494 2.626 1.00 0.00 N ATOM 818 CA LYS A 66 9.455 -6.871 3.974 1.00 0.00 C ATOM 819 C LYS A 66 8.308 -6.876 4.984 1.00 0.00 C ATOM 820 O LYS A 66 8.250 -7.705 5.870 1.00 0.00 O ATOM 821 CB LYS A 66 10.482 -5.793 4.325 1.00 0.00 C ATOM 822 CG LYS A 66 11.886 -6.291 3.975 1.00 0.00 C ATOM 823 CD LYS A 66 12.525 -5.345 2.956 1.00 0.00 C ATOM 824 CE LYS A 66 13.988 -5.100 3.333 1.00 0.00 C ATOM 825 NZ LYS A 66 14.641 -6.435 3.227 1.00 0.00 N ATOM 0 H LYS A 66 9.194 -5.559 2.308 1.00 0.00 H new ATOM 0 HA LYS A 66 9.898 -7.867 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.263 -4.876 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.424 -5.553 5.387 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.500 -6.342 4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.834 -7.300 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.463 -5.775 1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.982 -4.400 2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.453 -4.378 2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.074 -4.698 4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.671 -6.313 3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.421 -6.997 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.287 -6.929 2.383 1.00 0.00 H new ATOM 839 N ARG A 67 7.390 -5.961 4.852 1.00 0.00 N ATOM 840 CA ARG A 67 6.242 -5.918 5.798 1.00 0.00 C ATOM 841 C ARG A 67 5.328 -7.124 5.562 1.00 0.00 C ATOM 842 O ARG A 67 4.433 -7.399 6.336 1.00 0.00 O ATOM 843 CB ARG A 67 5.509 -4.616 5.477 1.00 0.00 C ATOM 844 CG ARG A 67 6.485 -3.441 5.580 1.00 0.00 C ATOM 845 CD ARG A 67 6.612 -3.010 7.042 1.00 0.00 C ATOM 846 NE ARG A 67 7.981 -3.432 7.448 1.00 0.00 N ATOM 847 CZ ARG A 67 8.885 -2.535 7.732 1.00 0.00 C ATOM 848 NH1 ARG A 67 8.706 -1.723 8.736 1.00 0.00 N ATOM 849 NH2 ARG A 67 9.968 -2.450 7.009 1.00 0.00 N ATOM 0 H ARG A 67 7.385 -5.241 4.130 1.00 0.00 H new ATOM 0 HA ARG A 67 6.560 -5.955 6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.085 -4.663 4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.678 -4.474 6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.461 -3.729 5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.132 -2.607 4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.482 -1.933 7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.852 -3.486 7.662 1.00 0.00 H new ATOM 0 HE ARG A 67 8.212 -4.424 7.504 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.859 -1.789 9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.413 -1.022 8.957 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.107 -3.084 6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.675 -1.749 7.230 1.00 0.00 H new ATOM 861 N ILE A 68 5.552 -7.850 4.498 1.00 0.00 N ATOM 862 CA ILE A 68 4.701 -9.040 4.217 1.00 0.00 C ATOM 863 C ILE A 68 5.462 -10.319 4.559 1.00 0.00 C ATOM 864 O ILE A 68 5.016 -11.412 4.279 1.00 0.00 O ATOM 865 CB ILE A 68 4.413 -8.979 2.720 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.414 -7.853 2.443 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.817 -10.311 2.260 1.00 0.00 C ATOM 868 CD1 ILE A 68 3.141 -7.765 0.943 1.00 0.00 C ATOM 0 H ILE A 68 6.286 -7.669 3.814 1.00 0.00 H new ATOM 0 HA ILE A 68 3.785 -9.041 4.808 1.00 0.00 H new ATOM 0 HB ILE A 68 5.339 -8.789 2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.484 -8.038 2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.810 -6.905 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.611 -10.267 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.525 -11.115 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.890 -10.501 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.429 -6.962 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.072 -7.560 0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.726 -8.710 0.593 1.00 0.00 H new ATOM 880 N HIS A 69 6.610 -10.189 5.163 1.00 0.00 N ATOM 881 CA HIS A 69 7.402 -11.394 5.525 1.00 0.00 C ATOM 882 C HIS A 69 7.540 -12.320 4.318 1.00 0.00 C ATOM 883 O HIS A 69 7.637 -13.524 4.450 1.00 0.00 O ATOM 884 CB HIS A 69 6.607 -12.069 6.640 1.00 0.00 C ATOM 885 CG HIS A 69 7.427 -12.083 7.902 1.00 0.00 C ATOM 886 ND1 HIS A 69 8.113 -10.964 8.349 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.679 -13.070 8.822 1.00 0.00 C ATOM 888 CE1 HIS A 69 8.740 -11.303 9.489 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.509 -12.575 9.823 1.00 0.00 N ATOM 0 H HIS A 69 7.034 -9.298 5.421 1.00 0.00 H new ATOM 0 HA HIS A 69 8.414 -11.144 5.844 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.671 -11.536 6.808 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.347 -13.087 6.351 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.292 -14.077 8.776 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.356 -10.628 10.065 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.865 -13.076 10.637 1.00 0.00 H new ATOM 897 N LEU A 70 7.570 -11.762 3.143 1.00 0.00 N ATOM 898 CA LEU A 70 7.725 -12.610 1.923 1.00 0.00 C ATOM 899 C LEU A 70 9.160 -12.504 1.403 1.00 0.00 C ATOM 900 O LEU A 70 9.857 -11.547 1.676 1.00 0.00 O ATOM 901 CB LEU A 70 6.707 -12.086 0.893 1.00 0.00 C ATOM 902 CG LEU A 70 6.935 -10.598 0.580 1.00 0.00 C ATOM 903 CD1 LEU A 70 8.248 -10.417 -0.185 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.779 -10.088 -0.283 1.00 0.00 C ATOM 0 H LEU A 70 7.495 -10.760 2.971 1.00 0.00 H new ATOM 0 HA LEU A 70 7.538 -13.664 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.785 -12.668 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.696 -12.228 1.275 1.00 0.00 H new ATOM 0 HG LEU A 70 6.985 -10.038 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.400 -9.360 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.076 -10.786 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.205 -10.976 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.932 -9.033 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.740 -10.657 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.840 -10.210 0.257 1.00 0.00 H new ATOM 916 N ARG A 71 9.619 -13.485 0.673 1.00 0.00 N ATOM 917 CA ARG A 71 11.021 -13.429 0.166 1.00 0.00 C ATOM 918 C ARG A 71 11.245 -14.466 -0.944 1.00 0.00 C ATOM 919 O ARG A 71 10.311 -15.020 -1.489 1.00 0.00 O ATOM 920 CB ARG A 71 11.877 -13.760 1.395 1.00 0.00 C ATOM 921 CG ARG A 71 11.860 -15.273 1.649 1.00 0.00 C ATOM 922 CD ARG A 71 11.437 -15.546 3.095 1.00 0.00 C ATOM 923 NE ARG A 71 12.699 -15.490 3.881 1.00 0.00 N ATOM 924 CZ ARG A 71 13.394 -16.576 4.077 1.00 0.00 C ATOM 925 NH1 ARG A 71 13.095 -17.374 5.066 1.00 0.00 N ATOM 926 NH2 ARG A 71 14.389 -16.865 3.284 1.00 0.00 N ATOM 0 H ARG A 71 9.090 -14.316 0.408 1.00 0.00 H new ATOM 0 HA ARG A 71 11.267 -12.461 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.901 -13.420 1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.495 -13.231 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.170 -15.760 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.848 -15.694 1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.721 -14.802 3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.956 -16.520 3.189 1.00 0.00 H new ATOM 0 HE ARG A 71 13.021 -14.602 4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.317 -17.148 5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.639 -18.223 5.219 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.623 -16.242 2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.933 -17.714 3.437 1.00 0.00 H new ATOM 938 N ALA A 72 12.482 -14.735 -1.270 1.00 0.00 N ATOM 939 CA ALA A 72 12.779 -15.739 -2.331 1.00 0.00 C ATOM 940 C ALA A 72 11.977 -15.437 -3.597 1.00 0.00 C ATOM 941 O ALA A 72 12.426 -14.719 -4.469 1.00 0.00 O ATOM 942 CB ALA A 72 12.361 -17.083 -1.733 1.00 0.00 C ATOM 0 H ALA A 72 13.301 -14.301 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 72 13.830 -15.731 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.549 -17.877 -2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.937 -17.273 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.299 -17.058 -1.489 1.00 0.00 H new ATOM 948 N GLU A 73 10.801 -15.986 -3.715 1.00 0.00 N ATOM 949 CA GLU A 73 9.988 -15.733 -4.937 1.00 0.00 C ATOM 950 C GLU A 73 8.495 -15.947 -4.659 1.00 0.00 C ATOM 951 O GLU A 73 7.730 -16.252 -5.553 1.00 0.00 O ATOM 952 CB GLU A 73 10.517 -16.749 -5.952 1.00 0.00 C ATOM 953 CG GLU A 73 9.799 -18.094 -5.785 1.00 0.00 C ATOM 954 CD GLU A 73 10.628 -19.200 -6.441 1.00 0.00 C ATOM 955 OE1 GLU A 73 11.481 -19.752 -5.765 1.00 0.00 O ATOM 956 OE2 GLU A 73 10.396 -19.475 -7.606 1.00 0.00 O ATOM 0 H GLU A 73 10.369 -16.596 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 73 10.074 -14.707 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.368 -16.373 -6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.590 -16.883 -5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.654 -18.312 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.809 -18.049 -6.239 1.00 0.00 H new ATOM 963 N ASP A 74 8.072 -15.789 -3.437 1.00 0.00 N ATOM 964 CA ASP A 74 6.627 -15.984 -3.127 1.00 0.00 C ATOM 965 C ASP A 74 5.772 -15.227 -4.133 1.00 0.00 C ATOM 966 O ASP A 74 6.260 -14.526 -4.997 1.00 0.00 O ATOM 967 CB ASP A 74 6.444 -15.439 -1.701 1.00 0.00 C ATOM 968 CG ASP A 74 5.078 -14.765 -1.525 1.00 0.00 C ATOM 969 OD1 ASP A 74 4.130 -15.467 -1.212 1.00 0.00 O ATOM 970 OD2 ASP A 74 5.004 -13.561 -1.707 1.00 0.00 O ATOM 0 H ASP A 74 8.659 -15.535 -2.643 1.00 0.00 H new ATOM 0 HA ASP A 74 6.320 -17.028 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.543 -16.254 -0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.235 -14.722 -1.481 1.00 0.00 H new ATOM 975 N ALA A 75 4.498 -15.373 -4.009 1.00 0.00 N ATOM 976 CA ALA A 75 3.562 -14.678 -4.937 1.00 0.00 C ATOM 977 C ALA A 75 2.791 -13.588 -4.189 1.00 0.00 C ATOM 978 O ALA A 75 2.427 -13.750 -3.041 1.00 0.00 O ATOM 979 CB ALA A 75 2.609 -15.764 -5.434 1.00 0.00 C ATOM 0 H ALA A 75 4.049 -15.950 -3.298 1.00 0.00 H new ATOM 0 HA ALA A 75 4.085 -14.191 -5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.888 -15.327 -6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.177 -16.540 -5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.081 -16.201 -4.586 1.00 0.00 H new ATOM 985 N LEU A 76 2.537 -12.480 -4.828 1.00 0.00 N ATOM 986 CA LEU A 76 1.789 -11.385 -4.148 1.00 0.00 C ATOM 987 C LEU A 76 1.105 -10.485 -5.175 1.00 0.00 C ATOM 988 O LEU A 76 1.519 -10.390 -6.314 1.00 0.00 O ATOM 989 CB LEU A 76 2.846 -10.596 -3.376 1.00 0.00 C ATOM 990 CG LEU A 76 2.233 -9.299 -2.848 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.294 -9.613 -1.681 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.349 -8.370 -2.368 1.00 0.00 C ATOM 0 H LEU A 76 2.814 -12.285 -5.790 1.00 0.00 H new ATOM 0 HA LEU A 76 1.008 -11.773 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.228 -11.193 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.693 -10.372 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 76 1.670 -8.813 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.858 -8.687 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.499 -10.277 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.855 -10.099 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.915 -7.444 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.911 -8.858 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.018 -8.145 -3.199 1.00 0.00 H new ATOM 1004 N PHE A 77 0.061 -9.822 -4.773 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.665 -8.918 -5.705 1.00 0.00 C ATOM 1006 C PHE A 77 -1.356 -7.805 -4.915 1.00 0.00 C ATOM 1007 O PHE A 77 -2.141 -8.065 -4.021 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.707 -9.802 -6.387 1.00 0.00 C ATOM 1009 CG PHE A 77 -1.072 -11.100 -6.825 1.00 0.00 C ATOM 1010 CD1 PHE A 77 -0.429 -11.181 -8.066 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -1.128 -12.222 -5.991 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.159 -12.385 -8.471 1.00 0.00 C ATOM 1013 CE2 PHE A 77 -0.541 -13.426 -6.397 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.103 -13.507 -7.637 1.00 0.00 C ATOM 0 H PHE A 77 -0.325 -9.867 -3.830 1.00 0.00 H new ATOM 0 HA PHE A 77 0.002 -8.444 -6.425 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.531 -10.003 -5.702 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.128 -9.284 -7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.387 -10.315 -8.710 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.624 -12.159 -5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.656 -12.448 -9.428 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.585 -14.292 -5.754 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.557 -14.436 -7.950 1.00 0.00 H new ATOM 1024 N PHE A 78 -1.066 -6.570 -5.224 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.706 -5.454 -4.480 1.00 0.00 C ATOM 1026 C PHE A 78 -3.037 -5.052 -5.119 1.00 0.00 C ATOM 1027 O PHE A 78 -3.148 -4.900 -6.319 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.721 -4.302 -4.592 1.00 0.00 C ATOM 1029 CG PHE A 78 0.541 -4.609 -3.825 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.587 -5.652 -2.890 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.666 -3.823 -4.045 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.768 -5.898 -2.175 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.845 -4.066 -3.337 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.898 -5.101 -2.399 1.00 0.00 C ATOM 0 H PHE A 78 -0.415 -6.289 -5.957 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.923 -5.734 -3.449 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.482 -4.121 -5.640 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.175 -3.389 -4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.286 -6.265 -2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.628 -3.021 -4.767 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.806 -6.700 -1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.717 -3.454 -3.514 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.808 -5.286 -1.848 1.00 0.00 H new ATOM 1044 N PHE A 79 -4.033 -4.847 -4.308 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.357 -4.414 -4.826 1.00 0.00 C ATOM 1046 C PHE A 79 -5.712 -3.072 -4.196 1.00 0.00 C ATOM 1047 O PHE A 79 -5.822 -2.948 -2.990 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.346 -5.479 -4.373 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.867 -6.842 -4.808 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -5.005 -7.578 -3.986 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -6.288 -7.374 -6.034 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -4.565 -8.845 -4.389 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -5.846 -8.640 -6.437 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.985 -9.375 -5.614 1.00 0.00 C ATOM 0 H PHE A 79 -3.986 -4.962 -3.296 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.366 -4.301 -5.910 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.453 -5.451 -3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.330 -5.278 -4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.679 -7.169 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.954 -6.807 -6.668 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.901 -9.413 -3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.169 -9.049 -7.383 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.645 -10.352 -5.925 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.877 -2.067 -4.994 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.213 -0.726 -4.437 1.00 0.00 C ATOM 1066 C VAL A 80 -7.540 -0.230 -5.012 1.00 0.00 C ATOM 1067 O VAL A 80 -7.648 0.063 -6.186 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.062 0.195 -4.860 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -4.984 1.372 -3.890 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.733 -0.570 -4.825 1.00 0.00 C ATOM 0 H VAL A 80 -5.795 -2.109 -6.010 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.327 -0.753 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.243 0.552 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.168 2.032 -4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.923 1.925 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.805 1.001 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.923 0.094 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.548 -0.931 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.783 -1.417 -5.509 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.553 -0.130 -4.195 1.00 0.00 N ATOM 1081 CA ASN A 81 -9.871 0.350 -4.700 1.00 0.00 C ATOM 1082 C ASN A 81 -10.387 -0.581 -5.800 1.00 0.00 C ATOM 1083 O ASN A 81 -10.904 -0.139 -6.807 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.595 1.744 -5.264 1.00 0.00 C ATOM 1085 CG ASN A 81 -10.916 2.494 -5.444 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -11.715 2.145 -6.291 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -11.182 3.516 -4.677 1.00 0.00 N ATOM 0 H ASN A 81 -8.525 -0.359 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.630 0.369 -3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.940 2.297 -4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.077 1.665 -6.220 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.061 4.022 -4.788 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.511 3.809 -3.966 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.252 -1.866 -5.616 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.736 -2.821 -6.654 1.00 0.00 C ATOM 1096 C ASN A 82 -9.962 -2.618 -7.960 1.00 0.00 C ATOM 1097 O ASN A 82 -10.500 -2.767 -9.039 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.213 -2.478 -6.849 1.00 0.00 C ATOM 1099 CG ASN A 82 -13.057 -3.743 -6.685 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -13.337 -4.430 -7.648 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -13.477 -4.083 -5.497 1.00 0.00 N ATOM 0 H ASN A 82 -9.828 -2.296 -4.794 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.594 -3.860 -6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.521 -1.726 -6.123 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.370 -2.049 -7.839 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.040 -4.925 -5.377 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.242 -3.507 -4.689 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.706 -2.280 -7.872 1.00 0.00 N ATOM 1109 CA VAL A 83 -7.902 -2.069 -9.111 1.00 0.00 C ATOM 1110 C VAL A 83 -6.544 -2.768 -8.980 1.00 0.00 C ATOM 1111 O VAL A 83 -6.155 -3.186 -7.907 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.716 -0.552 -9.222 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.370 -0.183 -10.665 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.012 0.160 -8.818 1.00 0.00 C ATOM 0 H VAL A 83 -8.200 -2.140 -6.997 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.392 -2.480 -9.994 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.908 -0.242 -8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.238 0.896 -10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.447 -0.684 -10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.178 -0.498 -11.325 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.875 1.238 -8.898 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.820 -0.153 -9.479 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.263 -0.098 -7.789 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.820 -2.883 -10.064 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.487 -3.554 -10.021 1.00 0.00 C ATOM 1126 C ILE A 84 -3.614 -3.035 -11.167 1.00 0.00 C ATOM 1127 O ILE A 84 -3.299 -3.762 -12.088 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.756 -5.049 -10.250 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -6.042 -5.502 -9.545 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.580 -5.863 -9.709 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.260 -5.095 -10.378 1.00 0.00 C ATOM 0 H ILE A 84 -6.098 -2.538 -10.983 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.979 -3.365 -9.075 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.874 -5.211 -11.321 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.030 -6.583 -9.406 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.102 -5.053 -8.553 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.768 -6.925 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.667 -5.573 -10.229 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.466 -5.672 -8.642 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.170 -5.419 -9.874 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.275 -4.011 -10.495 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.203 -5.565 -11.360 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.255 -1.784 -11.071 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.411 -1.150 -12.112 1.00 0.00 C ATOM 1145 C PRO A 85 -0.969 -1.658 -12.022 1.00 0.00 C ATOM 1146 O PRO A 85 -0.550 -2.170 -11.002 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.489 0.337 -11.777 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.810 0.391 -10.317 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.598 -0.853 -9.991 1.00 0.00 C ATOM 0 HA PRO A 85 -2.743 -1.372 -13.126 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.546 0.840 -11.992 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.258 0.835 -12.368 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.897 0.436 -9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.387 1.285 -10.082 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.324 -1.255 -9.016 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.669 -0.651 -9.963 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.256 -1.494 -13.104 1.00 0.00 N ATOM 1158 CA PRO A 86 1.161 -1.936 -13.167 1.00 0.00 C ATOM 1159 C PRO A 86 2.049 -1.023 -12.320 1.00 0.00 C ATOM 1160 O PRO A 86 1.583 -0.094 -11.692 1.00 0.00 O ATOM 1161 CB PRO A 86 1.507 -1.811 -14.649 1.00 0.00 C ATOM 1162 CG PRO A 86 0.559 -0.786 -15.182 1.00 0.00 C ATOM 1163 CD PRO A 86 -0.701 -0.885 -14.362 1.00 0.00 C ATOM 0 HA PRO A 86 1.312 -2.944 -12.781 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.543 -1.501 -14.788 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.388 -2.764 -15.164 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.989 0.213 -15.109 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.349 -0.966 -16.236 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.147 0.095 -14.195 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.454 -1.498 -14.858 1.00 0.00 H new ATOM 1171 N THR A 87 3.327 -1.284 -12.302 1.00 0.00 N ATOM 1172 CA THR A 87 4.252 -0.431 -11.495 1.00 0.00 C ATOM 1173 C THR A 87 4.696 0.792 -12.299 1.00 0.00 C ATOM 1174 O THR A 87 5.697 1.415 -12.005 1.00 0.00 O ATOM 1175 CB THR A 87 5.455 -1.315 -11.178 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.643 -2.261 -12.220 1.00 0.00 O ATOM 1177 CG2 THR A 87 5.225 -2.046 -9.855 1.00 0.00 C ATOM 0 H THR A 87 3.772 -2.049 -12.809 1.00 0.00 H new ATOM 0 HA THR A 87 3.768 -0.062 -10.591 1.00 0.00 H new ATOM 0 HB THR A 87 6.345 -0.691 -11.094 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.417 -2.825 -12.014 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.086 -2.676 -9.633 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.092 -1.318 -9.055 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.332 -2.666 -9.933 1.00 0.00 H new ATOM 1185 N SER A 88 3.954 1.139 -13.305 1.00 0.00 N ATOM 1186 CA SER A 88 4.311 2.322 -14.135 1.00 0.00 C ATOM 1187 C SER A 88 3.547 3.547 -13.633 1.00 0.00 C ATOM 1188 O SER A 88 3.021 4.327 -14.403 1.00 0.00 O ATOM 1189 CB SER A 88 3.879 1.959 -15.555 1.00 0.00 C ATOM 1190 OG SER A 88 4.475 2.865 -16.473 1.00 0.00 O ATOM 0 H SER A 88 3.106 0.651 -13.594 1.00 0.00 H new ATOM 0 HA SER A 88 5.373 2.562 -14.090 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.178 0.937 -15.789 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.793 2.000 -15.639 1.00 0.00 H new ATOM 0 HG SER A 88 4.225 3.782 -16.236 1.00 0.00 H new ATOM 1196 N ALA A 89 3.477 3.709 -12.343 1.00 0.00 N ATOM 1197 CA ALA A 89 2.742 4.870 -11.767 1.00 0.00 C ATOM 1198 C ALA A 89 3.434 5.358 -10.500 1.00 0.00 C ATOM 1199 O ALA A 89 4.535 4.957 -10.180 1.00 0.00 O ATOM 1200 CB ALA A 89 1.350 4.330 -11.438 1.00 0.00 C ATOM 0 H ALA A 89 3.900 3.083 -11.657 1.00 0.00 H new ATOM 0 HA ALA A 89 2.704 5.715 -12.454 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.743 5.127 -11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.876 3.965 -12.349 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.437 3.513 -10.722 1.00 0.00 H new ATOM 1206 N THR A 90 2.791 6.227 -9.784 1.00 0.00 N ATOM 1207 CA THR A 90 3.395 6.763 -8.531 1.00 0.00 C ATOM 1208 C THR A 90 2.325 6.871 -7.440 1.00 0.00 C ATOM 1209 O THR A 90 1.187 7.199 -7.705 1.00 0.00 O ATOM 1210 CB THR A 90 3.916 8.153 -8.903 1.00 0.00 C ATOM 1211 OG1 THR A 90 2.856 8.921 -9.457 1.00 0.00 O ATOM 1212 CG2 THR A 90 5.044 8.024 -9.928 1.00 0.00 C ATOM 0 H THR A 90 1.867 6.595 -10.010 1.00 0.00 H new ATOM 0 HA THR A 90 4.187 6.121 -8.146 1.00 0.00 H new ATOM 0 HB THR A 90 4.297 8.648 -8.010 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.187 9.812 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.412 9.016 -10.190 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.857 7.436 -9.502 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.668 7.528 -10.823 1.00 0.00 H new ATOM 1220 N MET A 91 2.682 6.597 -6.217 1.00 0.00 N ATOM 1221 CA MET A 91 1.678 6.684 -5.119 1.00 0.00 C ATOM 1222 C MET A 91 0.968 8.037 -5.181 1.00 0.00 C ATOM 1223 O MET A 91 -0.240 8.129 -5.068 1.00 0.00 O ATOM 1224 CB MET A 91 2.475 6.556 -3.814 1.00 0.00 C ATOM 1225 CG MET A 91 3.014 5.128 -3.656 1.00 0.00 C ATOM 1226 SD MET A 91 1.658 3.937 -3.799 1.00 0.00 S ATOM 1227 CE MET A 91 1.490 3.567 -2.035 1.00 0.00 C ATOM 0 H MET A 91 3.620 6.318 -5.930 1.00 0.00 H new ATOM 0 HA MET A 91 0.917 5.908 -5.195 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.302 7.266 -3.814 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.839 6.808 -2.965 1.00 0.00 H new ATOM 0 HG2 MET A 91 3.767 4.928 -4.418 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.504 5.020 -2.688 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.118 2.550 -1.910 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.461 3.661 -1.549 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.789 4.268 -1.581 1.00 0.00 H new ATOM 1237 N GLY A 92 1.715 9.089 -5.360 1.00 0.00 N ATOM 1238 CA GLY A 92 1.100 10.443 -5.429 1.00 0.00 C ATOM 1239 C GLY A 92 -0.072 10.448 -6.410 1.00 0.00 C ATOM 1240 O GLY A 92 -1.143 10.937 -6.107 1.00 0.00 O ATOM 0 H GLY A 92 2.730 9.069 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.755 10.743 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.847 11.173 -5.741 1.00 0.00 H new ATOM 1244 N GLN A 93 0.122 9.922 -7.583 1.00 0.00 N ATOM 1245 CA GLN A 93 -0.985 9.916 -8.582 1.00 0.00 C ATOM 1246 C GLN A 93 -2.144 9.048 -8.079 1.00 0.00 C ATOM 1247 O GLN A 93 -3.296 9.309 -8.363 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.363 9.356 -9.877 1.00 0.00 C ATOM 1249 CG GLN A 93 -0.677 7.862 -10.039 1.00 0.00 C ATOM 1250 CD GLN A 93 -0.129 7.367 -11.379 1.00 0.00 C ATOM 1251 OE1 GLN A 93 -0.787 6.622 -12.078 1.00 0.00 O ATOM 1252 NE2 GLN A 93 1.055 7.751 -11.769 1.00 0.00 N ATOM 0 H GLN A 93 0.995 9.497 -7.896 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.403 10.908 -8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.746 9.907 -10.736 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.717 9.504 -9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.232 7.295 -9.221 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.754 7.699 -9.992 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.607 8.376 -11.182 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.429 7.426 -12.661 1.00 0.00 H new ATOM 1261 N LEU A 94 -1.850 8.019 -7.331 1.00 0.00 N ATOM 1262 CA LEU A 94 -2.940 7.147 -6.817 1.00 0.00 C ATOM 1263 C LEU A 94 -3.778 7.904 -5.788 1.00 0.00 C ATOM 1264 O LEU A 94 -4.915 7.575 -5.538 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.224 5.948 -6.186 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.143 6.089 -4.661 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.463 5.639 -4.038 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.008 5.215 -4.134 1.00 0.00 C ATOM 0 H LEU A 94 -0.906 7.747 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.629 6.830 -7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.753 5.030 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.219 5.862 -6.600 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.955 7.130 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.406 5.739 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.275 6.259 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.651 4.597 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.947 5.312 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.199 4.174 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.066 5.534 -4.580 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.228 8.906 -5.180 1.00 0.00 N ATOM 1281 CA TYR A 95 -4.020 9.649 -4.166 1.00 0.00 C ATOM 1282 C TYR A 95 -5.399 9.993 -4.744 1.00 0.00 C ATOM 1283 O TYR A 95 -6.419 9.682 -4.163 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.208 10.911 -3.880 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.283 11.230 -2.407 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.886 10.274 -1.466 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.749 12.480 -1.981 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.957 10.566 -0.098 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.819 12.773 -0.614 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.423 11.815 0.328 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.492 12.103 1.676 1.00 0.00 O ATOM 0 H TYR A 95 -2.278 9.243 -5.335 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.193 9.075 -3.256 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.170 10.765 -4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.594 11.746 -4.465 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.525 9.311 -1.794 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.055 13.218 -2.708 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.652 9.827 0.628 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.178 13.737 -0.286 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.416 11.998 1.986 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.437 10.620 -5.887 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.750 10.972 -6.506 1.00 0.00 C ATOM 1303 C GLN A 96 -7.485 9.717 -7.009 1.00 0.00 C ATOM 1304 O GLN A 96 -8.682 9.736 -7.216 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.399 11.889 -7.679 1.00 0.00 C ATOM 1306 CG GLN A 96 -7.485 12.957 -7.835 1.00 0.00 C ATOM 1307 CD GLN A 96 -8.418 12.571 -8.985 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -8.707 11.408 -9.184 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -8.905 13.505 -9.756 1.00 0.00 N ATOM 0 H GLN A 96 -4.616 10.905 -6.421 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.417 11.449 -5.788 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.432 12.361 -7.508 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.312 11.307 -8.596 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.052 13.053 -6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.030 13.928 -8.032 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.663 14.482 -9.589 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.528 13.258 -10.525 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.779 8.640 -7.236 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.443 7.404 -7.762 1.00 0.00 C ATOM 1320 C GLU A 97 -8.063 6.559 -6.638 1.00 0.00 C ATOM 1321 O GLU A 97 -9.260 6.358 -6.598 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.326 6.625 -8.457 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.214 7.083 -9.912 1.00 0.00 C ATOM 1324 CD GLU A 97 -4.905 6.567 -10.511 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -3.898 7.235 -10.347 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -4.933 5.512 -11.124 1.00 0.00 O ATOM 0 H GLU A 97 -5.774 8.560 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.265 7.654 -8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.380 6.786 -7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.534 5.556 -8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.061 6.710 -10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.246 8.171 -9.965 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.264 6.037 -5.747 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.810 5.185 -4.662 1.00 0.00 C ATOM 1335 C HIS A 98 -8.003 5.997 -3.379 1.00 0.00 C ATOM 1336 O HIS A 98 -7.747 5.528 -2.282 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.733 4.127 -4.467 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.376 3.524 -5.796 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -7.280 3.451 -6.845 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -5.218 2.959 -6.259 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -6.653 2.859 -7.878 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -5.392 2.538 -7.574 1.00 0.00 N ATOM 0 H HIS A 98 -6.253 6.167 -5.727 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.786 4.764 -4.904 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.850 4.572 -4.009 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.088 3.352 -3.788 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.306 2.856 -5.689 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.113 2.667 -8.836 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.705 2.083 -8.176 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.476 7.204 -3.513 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.719 8.052 -2.301 1.00 0.00 C ATOM 1352 C HIS A 99 -9.879 7.451 -1.500 1.00 0.00 C ATOM 1353 O HIS A 99 -10.376 6.391 -1.824 1.00 0.00 O ATOM 1354 CB HIS A 99 -9.086 9.461 -2.808 1.00 0.00 C ATOM 1355 CG HIS A 99 -8.207 10.484 -2.143 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -7.937 10.465 -0.783 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -7.528 11.566 -2.643 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -7.129 11.507 -0.515 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -6.848 12.211 -1.616 1.00 0.00 N ATOM 0 H HIS A 99 -8.706 7.644 -4.404 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.843 8.098 -1.654 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.965 9.512 -3.890 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -10.134 9.673 -2.594 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.522 11.871 -3.679 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.753 11.745 0.469 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.261 13.042 -1.687 1.00 0.00 H new ATOM 1367 N GLU A 100 -10.320 8.108 -0.460 1.00 0.00 N ATOM 1368 CA GLU A 100 -11.451 7.546 0.337 1.00 0.00 C ATOM 1369 C GLU A 100 -12.169 8.657 1.107 1.00 0.00 C ATOM 1370 O GLU A 100 -12.034 9.826 0.803 1.00 0.00 O ATOM 1371 CB GLU A 100 -10.805 6.554 1.308 1.00 0.00 C ATOM 1372 CG GLU A 100 -10.955 5.133 0.761 1.00 0.00 C ATOM 1373 CD GLU A 100 -11.967 4.363 1.612 1.00 0.00 C ATOM 1374 OE1 GLU A 100 -11.581 3.883 2.665 1.00 0.00 O ATOM 1375 OE2 GLU A 100 -13.109 4.266 1.195 1.00 0.00 O ATOM 0 H GLU A 100 -9.951 9.000 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.198 7.068 -0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.750 6.794 1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.276 6.629 2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.286 5.165 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.991 4.624 0.773 1.00 0.00 H new ATOM 1382 N GLU A 101 -12.930 8.298 2.105 1.00 0.00 N ATOM 1383 CA GLU A 101 -13.657 9.330 2.900 1.00 0.00 C ATOM 1384 C GLU A 101 -12.686 10.054 3.837 1.00 0.00 C ATOM 1385 O GLU A 101 -13.072 10.918 4.599 1.00 0.00 O ATOM 1386 CB GLU A 101 -14.698 8.546 3.702 1.00 0.00 C ATOM 1387 CG GLU A 101 -15.994 9.353 3.784 1.00 0.00 C ATOM 1388 CD GLU A 101 -17.167 8.486 3.323 1.00 0.00 C ATOM 1389 OE1 GLU A 101 -17.045 7.866 2.279 1.00 0.00 O ATOM 1390 OE2 GLU A 101 -18.166 8.455 4.022 1.00 0.00 O ATOM 0 H GLU A 101 -13.080 7.335 2.405 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.117 10.092 2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -14.887 7.582 3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.321 8.341 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.159 9.692 4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.920 10.244 3.160 1.00 0.00 H new ATOM 1397 N ASP A 102 -11.427 9.713 3.782 1.00 0.00 N ATOM 1398 CA ASP A 102 -10.432 10.386 4.666 1.00 0.00 C ATOM 1399 C ASP A 102 -9.179 10.744 3.863 1.00 0.00 C ATOM 1400 O ASP A 102 -8.795 10.042 2.950 1.00 0.00 O ATOM 1401 CB ASP A 102 -10.101 9.364 5.757 1.00 0.00 C ATOM 1402 CG ASP A 102 -10.412 9.965 7.129 1.00 0.00 C ATOM 1403 OD1 ASP A 102 -9.715 10.885 7.523 1.00 0.00 O ATOM 1404 OD2 ASP A 102 -11.342 9.493 7.763 1.00 0.00 O ATOM 0 H ASP A 102 -11.044 8.998 3.164 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.817 11.313 5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.682 8.454 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.049 9.084 5.701 1.00 0.00 H new ATOM 1409 N PHE A 103 -8.548 11.840 4.193 1.00 0.00 N ATOM 1410 CA PHE A 103 -7.316 12.257 3.440 1.00 0.00 C ATOM 1411 C PHE A 103 -6.452 11.036 3.109 1.00 0.00 C ATOM 1412 O PHE A 103 -5.716 11.028 2.142 1.00 0.00 O ATOM 1413 CB PHE A 103 -6.538 13.206 4.364 1.00 0.00 C ATOM 1414 CG PHE A 103 -7.484 14.172 5.039 1.00 0.00 C ATOM 1415 CD1 PHE A 103 -8.078 15.202 4.300 1.00 0.00 C ATOM 1416 CD2 PHE A 103 -7.766 14.035 6.404 1.00 0.00 C ATOM 1417 CE1 PHE A 103 -8.954 16.096 4.927 1.00 0.00 C ATOM 1418 CE2 PHE A 103 -8.642 14.929 7.030 1.00 0.00 C ATOM 1419 CZ PHE A 103 -9.237 15.959 6.292 1.00 0.00 C ATOM 0 H PHE A 103 -8.827 12.466 4.948 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.582 12.741 2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.997 12.631 5.115 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.794 13.757 3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.861 15.307 3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.308 13.240 6.973 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.412 16.892 4.358 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.859 14.824 8.083 1.00 0.00 H new ATOM 0 HZ PHE A 103 -9.914 16.648 6.775 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.525 10.007 3.908 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.697 8.794 3.641 1.00 0.00 C ATOM 1431 C PHE A 104 -6.315 7.960 2.513 1.00 0.00 C ATOM 1432 O PHE A 104 -7.505 8.007 2.273 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.704 7.996 4.951 1.00 0.00 C ATOM 1434 CG PHE A 104 -5.629 8.936 6.134 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -4.611 9.891 6.207 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -6.581 8.848 7.156 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -4.543 10.762 7.301 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -6.514 9.718 8.251 1.00 0.00 C ATOM 1439 CZ PHE A 104 -5.495 10.675 8.324 1.00 0.00 C ATOM 0 H PHE A 104 -7.121 9.952 4.734 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.687 9.058 3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.610 7.393 5.013 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.860 7.307 4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.876 9.957 5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.367 8.109 7.100 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.757 11.500 7.356 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -7.249 9.651 9.040 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.443 11.346 9.169 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.514 7.186 1.831 1.00 0.00 N ATOM 1450 CA LEU A 105 -6.053 6.331 0.727 1.00 0.00 C ATOM 1451 C LEU A 105 -6.157 4.879 1.231 1.00 0.00 C ATOM 1452 O LEU A 105 -5.703 4.574 2.312 1.00 0.00 O ATOM 1453 CB LEU A 105 -5.041 6.493 -0.427 1.00 0.00 C ATOM 1454 CG LEU A 105 -4.020 5.352 -0.420 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.502 4.240 -1.351 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.669 5.877 -0.912 1.00 0.00 C ATOM 0 H LEU A 105 -4.509 7.107 1.989 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.052 6.612 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.569 6.508 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.525 7.449 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.912 4.962 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.778 3.425 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.467 3.869 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.605 4.632 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.940 5.066 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.776 6.264 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.327 6.675 -0.253 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.769 3.985 0.492 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.891 2.582 1.005 1.00 0.00 C ATOM 1470 C TYR A 106 -6.175 1.567 0.098 1.00 0.00 C ATOM 1471 O TYR A 106 -6.423 1.497 -1.088 1.00 0.00 O ATOM 1472 CB TYR A 106 -8.394 2.304 1.025 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.907 2.408 2.441 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.469 3.448 3.269 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -9.820 1.463 2.926 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -8.944 3.543 4.582 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -10.295 1.559 4.239 1.00 0.00 C ATOM 1478 CZ TYR A 106 -9.857 2.600 5.068 1.00 0.00 C ATOM 1479 OH TYR A 106 -10.325 2.694 6.362 1.00 0.00 O ATOM 0 H TYR A 106 -7.181 4.159 -0.425 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.425 2.481 1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.915 3.016 0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.596 1.310 0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.765 4.177 2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.157 0.660 2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.606 4.345 5.221 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.999 0.831 4.613 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.952 1.961 6.537 1.00 0.00 H new ATOM 1489 N ILE A 107 -5.305 0.762 0.663 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.590 -0.272 -0.150 1.00 0.00 C ATOM 1491 C ILE A 107 -4.440 -1.569 0.655 1.00 0.00 C ATOM 1492 O ILE A 107 -4.239 -1.546 1.853 1.00 0.00 O ATOM 1493 CB ILE A 107 -3.206 0.306 -0.445 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -3.323 1.786 -0.797 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.584 -0.448 -1.623 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.983 2.288 -1.340 1.00 0.00 C ATOM 0 H ILE A 107 -5.060 0.777 1.653 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.138 -0.505 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.576 0.197 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.107 1.933 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.608 2.359 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.597 -0.039 -1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.492 -1.504 -1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -3.220 -0.339 -2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.066 3.345 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.211 2.155 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.717 1.722 -2.233 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.521 -2.699 0.004 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.365 -3.994 0.733 1.00 0.00 C ATOM 1510 C ALA A 108 -3.689 -5.013 -0.183 1.00 0.00 C ATOM 1511 O ALA A 108 -3.643 -4.830 -1.376 1.00 0.00 O ATOM 1512 CB ALA A 108 -5.790 -4.431 1.075 1.00 0.00 C ATOM 0 H ALA A 108 -4.688 -2.783 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.750 -3.905 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.761 -5.378 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.263 -3.673 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.363 -4.554 0.156 1.00 0.00 H new ATOM 1518 N TYR A 109 -3.161 -6.083 0.347 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.503 -7.081 -0.551 1.00 0.00 C ATOM 1520 C TYR A 109 -2.931 -8.504 -0.205 1.00 0.00 C ATOM 1521 O TYR A 109 -3.501 -8.764 0.837 1.00 0.00 O ATOM 1522 CB TYR A 109 -0.994 -6.918 -0.357 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.663 -6.668 1.093 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -0.937 -5.424 1.666 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.062 -7.675 1.861 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.612 -5.185 3.005 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.260 -7.435 3.200 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.015 -6.190 3.773 1.00 0.00 C ATOM 1529 OH TYR A 109 0.307 -5.951 5.093 1.00 0.00 O ATOM 0 H TYR A 109 -3.154 -6.309 1.342 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.792 -6.909 -1.588 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.480 -7.815 -0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.632 -6.089 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.400 -4.647 1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.152 -8.636 1.418 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -0.822 -4.222 3.447 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.721 -8.212 3.792 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.320 -5.299 5.470 1.00 0.00 H new ATOM 1539 N SER A 110 -2.657 -9.425 -1.085 1.00 0.00 N ATOM 1540 CA SER A 110 -3.042 -10.844 -0.830 1.00 0.00 C ATOM 1541 C SER A 110 -2.204 -11.790 -1.694 1.00 0.00 C ATOM 1542 O SER A 110 -1.399 -11.363 -2.498 1.00 0.00 O ATOM 1543 CB SER A 110 -4.515 -10.928 -1.228 1.00 0.00 C ATOM 1544 OG SER A 110 -5.205 -11.760 -0.305 1.00 0.00 O ATOM 0 H SER A 110 -2.182 -9.258 -1.972 1.00 0.00 H new ATOM 0 HA SER A 110 -2.877 -11.134 0.208 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.958 -9.932 -1.239 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.608 -11.329 -2.237 1.00 0.00 H new ATOM 0 HG SER A 110 -6.041 -12.074 -0.709 1.00 0.00 H new ATOM 1550 N ASP A 111 -2.392 -13.073 -1.538 1.00 0.00 N ATOM 1551 CA ASP A 111 -1.614 -14.048 -2.353 1.00 0.00 C ATOM 1552 C ASP A 111 -2.567 -15.017 -3.057 1.00 0.00 C ATOM 1553 O ASP A 111 -2.289 -16.192 -3.190 1.00 0.00 O ATOM 1554 CB ASP A 111 -0.733 -14.794 -1.351 1.00 0.00 C ATOM 1555 CG ASP A 111 0.447 -15.434 -2.085 1.00 0.00 C ATOM 1556 OD1 ASP A 111 0.227 -15.984 -3.152 1.00 0.00 O ATOM 1557 OD2 ASP A 111 1.549 -15.363 -1.568 1.00 0.00 O ATOM 0 H ASP A 111 -3.052 -13.488 -0.880 1.00 0.00 H new ATOM 0 HA ASP A 111 -1.021 -13.561 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.370 -14.106 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.315 -15.560 -0.839 1.00 0.00 H new ATOM 1562 N GLU A 112 -3.693 -14.531 -3.506 1.00 0.00 N ATOM 1563 CA GLU A 112 -4.669 -15.421 -4.199 1.00 0.00 C ATOM 1564 C GLU A 112 -5.154 -16.517 -3.245 1.00 0.00 C ATOM 1565 O GLU A 112 -4.373 -17.161 -2.574 1.00 0.00 O ATOM 1566 CB GLU A 112 -3.895 -16.031 -5.368 1.00 0.00 C ATOM 1567 CG GLU A 112 -4.286 -15.318 -6.664 1.00 0.00 C ATOM 1568 CD GLU A 112 -3.772 -16.118 -7.863 1.00 0.00 C ATOM 1569 OE1 GLU A 112 -4.446 -17.056 -8.257 1.00 0.00 O ATOM 1570 OE2 GLU A 112 -2.713 -15.779 -8.366 1.00 0.00 O ATOM 0 H GLU A 112 -3.979 -13.556 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.552 -14.879 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -2.823 -15.936 -5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.113 -17.096 -5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.369 -15.213 -6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.867 -14.312 -6.678 1.00 0.00 H new ATOM 1577 N SER A 113 -6.441 -16.732 -3.179 1.00 0.00 N ATOM 1578 CA SER A 113 -6.975 -17.783 -2.266 1.00 0.00 C ATOM 1579 C SER A 113 -7.890 -18.740 -3.035 1.00 0.00 C ATOM 1580 O SER A 113 -8.986 -19.042 -2.608 1.00 0.00 O ATOM 1581 CB SER A 113 -7.768 -17.021 -1.207 1.00 0.00 C ATOM 1582 OG SER A 113 -8.157 -15.757 -1.730 1.00 0.00 O ATOM 0 H SER A 113 -7.144 -16.226 -3.717 1.00 0.00 H new ATOM 0 HA SER A 113 -6.182 -18.388 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.649 -17.593 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.163 -16.886 -0.310 1.00 0.00 H new ATOM 0 HG SER A 113 -8.668 -15.266 -1.053 1.00 0.00 H new ATOM 1588 N VAL A 114 -7.450 -19.219 -4.166 1.00 0.00 N ATOM 1589 CA VAL A 114 -8.297 -20.157 -4.958 1.00 0.00 C ATOM 1590 C VAL A 114 -8.871 -21.247 -4.049 1.00 0.00 C ATOM 1591 O VAL A 114 -8.462 -21.400 -2.914 1.00 0.00 O ATOM 1592 CB VAL A 114 -7.352 -20.765 -5.995 1.00 0.00 C ATOM 1593 CG1 VAL A 114 -6.406 -21.750 -5.306 1.00 0.00 C ATOM 1594 CG2 VAL A 114 -8.169 -21.504 -7.057 1.00 0.00 C ATOM 0 H VAL A 114 -6.542 -19.002 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 114 -9.144 -19.655 -5.425 1.00 0.00 H new ATOM 0 HB VAL A 114 -6.772 -19.972 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.732 -22.184 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.825 -21.226 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -6.987 -22.543 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -7.496 -21.938 -7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -8.748 -22.297 -6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -8.845 -20.804 -7.548 1.00 0.00 H new ATOM 1604 N TYR A 115 -9.815 -22.004 -4.535 1.00 0.00 N ATOM 1605 CA TYR A 115 -10.415 -23.082 -3.697 1.00 0.00 C ATOM 1606 C TYR A 115 -9.317 -23.992 -3.139 1.00 0.00 C ATOM 1607 O TYR A 115 -8.948 -24.978 -3.744 1.00 0.00 O ATOM 1608 CB TYR A 115 -11.326 -23.862 -4.645 1.00 0.00 C ATOM 1609 CG TYR A 115 -12.197 -24.801 -3.846 1.00 0.00 C ATOM 1610 CD1 TYR A 115 -13.028 -24.297 -2.838 1.00 0.00 C ATOM 1611 CD2 TYR A 115 -12.174 -26.175 -4.111 1.00 0.00 C ATOM 1612 CE1 TYR A 115 -13.835 -25.167 -2.096 1.00 0.00 C ATOM 1613 CE2 TYR A 115 -12.981 -27.045 -3.370 1.00 0.00 C ATOM 1614 CZ TYR A 115 -13.812 -26.541 -2.362 1.00 0.00 C ATOM 1615 OH TYR A 115 -14.608 -27.398 -1.630 1.00 0.00 O ATOM 0 H TYR A 115 -10.198 -21.923 -5.477 1.00 0.00 H new ATOM 0 HA TYR A 115 -10.962 -22.683 -2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -11.946 -23.174 -5.219 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -10.727 -24.425 -5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -13.046 -23.237 -2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -11.533 -26.564 -4.888 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -14.475 -24.778 -1.318 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -12.963 -28.105 -3.575 1.00 0.00 H new ATOM 0 HH TYR A 115 -14.473 -28.317 -1.942 1.00 0.00 H new ATOM 1625 N GLY A 116 -8.793 -23.669 -1.988 1.00 0.00 N ATOM 1626 CA GLY A 116 -7.720 -24.516 -1.393 1.00 0.00 C ATOM 1627 C GLY A 116 -7.687 -24.313 0.122 1.00 0.00 C ATOM 1628 O GLY A 116 -8.297 -23.403 0.650 1.00 0.00 O ATOM 0 H GLY A 116 -9.061 -22.856 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.900 -25.566 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.754 -24.255 -1.826 1.00 0.00 H new ATOM 1632 N LEU A 117 -6.980 -25.153 0.827 1.00 0.00 N ATOM 1633 CA LEU A 117 -6.909 -25.007 2.310 1.00 0.00 C ATOM 1634 C LEU A 117 -6.217 -23.692 2.680 1.00 0.00 C ATOM 1635 O LEU A 117 -6.789 -22.943 3.455 1.00 0.00 O ATOM 1636 CB LEU A 117 -6.081 -26.202 2.785 1.00 0.00 C ATOM 1637 CG LEU A 117 -6.904 -27.482 2.639 1.00 0.00 C ATOM 1638 CD1 LEU A 117 -5.965 -28.684 2.524 1.00 0.00 C ATOM 1639 CD2 LEU A 117 -7.800 -27.654 3.868 1.00 0.00 C ATOM 1640 OXT LEU A 117 -5.129 -23.457 2.181 1.00 0.00 O ATOM 0 H LEU A 117 -6.449 -25.934 0.442 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.896 -24.986 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.164 -26.278 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.786 -26.063 3.825 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.521 -27.416 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -6.553 -29.596 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -5.325 -28.563 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.348 -28.750 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.387 -28.566 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.181 -27.720 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.470 -26.799 3.952 1.00 0.00 H new TER 1652 LEU A 117