USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=17 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= -0.0114 USER MOD Set 1.2: A 93 GLN : amide:sc= -0.292 K(o=-0.3,f=-2.3!) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -175:sc= -1.49! (180deg=-1.71) USER MOD Set 2.2: A 109 TYR OH : rot 30:sc= -0.237 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 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 80:sc= -3.88 USER MOD Single : A 53 SER OG : rot 180:sc= -3.67! USER MOD Single : A 56 THR OG1 : rot 137:sc= -1.22 USER MOD Single : A 59 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.076) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.175) USER MOD Single : A 69 HIS : no HD1:sc= -0.748 X(o=-0.75,f=-0.88) USER MOD Single : A 81 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.32) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 87 THR OG1 : rot -91:sc= 0.156 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 161:sc= -4.58! (180deg=-5.92!) USER MOD Single : A 95 TYR OH : rot -80:sc= -1.32! USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -11.8! C(o=-12!,f=-12!) USER MOD Single : A 99 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-7.1!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -156:sc= -4.01! USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -7.833 16.893 8.889 1.00 0.00 N ATOM 2 CA GLY A 18 -7.071 16.479 7.676 1.00 0.00 C ATOM 3 C GLY A 18 -6.260 17.664 7.153 1.00 0.00 C ATOM 4 O GLY A 18 -5.102 17.533 6.812 1.00 0.00 O ATOM 0 HA2 GLY A 18 -6.407 15.649 7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.757 16.126 6.906 1.00 0.00 H new ATOM 8 N GLU A 19 -6.857 18.823 7.088 1.00 0.00 N ATOM 9 CA GLU A 19 -6.113 20.014 6.591 1.00 0.00 C ATOM 10 C GLU A 19 -4.765 20.123 7.309 1.00 0.00 C ATOM 11 O GLU A 19 -3.836 20.731 6.817 1.00 0.00 O ATOM 12 CB GLU A 19 -7.002 21.211 6.930 1.00 0.00 C ATOM 13 CG GLU A 19 -7.525 21.838 5.636 1.00 0.00 C ATOM 14 CD GLU A 19 -8.584 20.924 5.018 1.00 0.00 C ATOM 15 OE1 GLU A 19 -8.924 19.935 5.645 1.00 0.00 O ATOM 16 OE2 GLU A 19 -9.036 21.229 3.926 1.00 0.00 O ATOM 0 H GLU A 19 -7.826 18.996 7.357 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.904 19.957 5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.836 20.893 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.437 21.947 7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.952 22.820 5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.704 21.988 4.934 1.00 0.00 H new ATOM 23 N LYS A 20 -4.654 19.532 8.467 1.00 0.00 N ATOM 24 CA LYS A 20 -3.365 19.597 9.214 1.00 0.00 C ATOM 25 C LYS A 20 -2.357 18.622 8.601 1.00 0.00 C ATOM 26 O LYS A 20 -1.193 18.933 8.446 1.00 0.00 O ATOM 27 CB LYS A 20 -3.705 19.185 10.650 1.00 0.00 C ATOM 28 CG LYS A 20 -4.034 20.430 11.481 1.00 0.00 C ATOM 29 CD LYS A 20 -2.888 21.435 11.373 1.00 0.00 C ATOM 30 CE LYS A 20 -2.409 21.818 12.775 1.00 0.00 C ATOM 31 NZ LYS A 20 -3.303 22.933 13.195 1.00 0.00 N ATOM 0 H LYS A 20 -5.398 19.008 8.928 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.918 20.590 9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.554 18.501 10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.865 18.651 11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.961 20.881 11.128 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.191 20.153 12.523 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.066 21.004 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.219 22.323 10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.481 20.974 13.461 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.365 22.132 12.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.037 23.251 14.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.208 23.724 12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.289 22.603 13.203 1.00 0.00 H new ATOM 45 N ILE A 21 -2.795 17.444 8.247 1.00 0.00 N ATOM 46 CA ILE A 21 -1.861 16.452 7.640 1.00 0.00 C ATOM 47 C ILE A 21 -1.336 16.976 6.302 1.00 0.00 C ATOM 48 O ILE A 21 -0.355 16.488 5.776 1.00 0.00 O ATOM 49 CB ILE A 21 -2.699 15.191 7.430 1.00 0.00 C ATOM 50 CG1 ILE A 21 -2.997 14.541 8.785 1.00 0.00 C ATOM 51 CG2 ILE A 21 -1.927 14.204 6.554 1.00 0.00 C ATOM 52 CD1 ILE A 21 -1.700 14.405 9.585 1.00 0.00 C ATOM 0 H ILE A 21 -3.758 17.126 8.352 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.993 16.261 8.272 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.636 15.458 6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.716 15.144 9.339 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.450 13.561 8.638 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.525 13.305 6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.715 14.663 5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.990 13.939 7.043 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.914 13.942 10.549 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.995 13.784 9.033 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.266 15.392 9.745 1.00 0.00 H new ATOM 64 N ARG A 22 -1.978 17.968 5.749 1.00 0.00 N ATOM 65 CA ARG A 22 -1.511 18.523 4.448 1.00 0.00 C ATOM 66 C ARG A 22 -0.515 19.656 4.690 1.00 0.00 C ATOM 67 O ARG A 22 0.443 19.818 3.961 1.00 0.00 O ATOM 68 CB ARG A 22 -2.774 19.039 3.757 1.00 0.00 C ATOM 69 CG ARG A 22 -3.769 17.885 3.572 1.00 0.00 C ATOM 70 CD ARG A 22 -3.024 16.618 3.133 1.00 0.00 C ATOM 71 NE ARG A 22 -4.072 15.565 3.052 1.00 0.00 N ATOM 72 CZ ARG A 22 -4.855 15.342 4.073 1.00 0.00 C ATOM 73 NH1 ARG A 22 -5.853 16.146 4.317 1.00 0.00 N ATOM 74 NH2 ARG A 22 -4.637 14.316 4.850 1.00 0.00 N ATOM 0 H ARG A 22 -2.805 18.418 6.142 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.998 17.780 3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.228 19.832 4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.520 19.472 2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.301 17.699 4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.517 18.154 2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.534 16.762 2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.248 16.348 3.849 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.179 15.017 2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.021 16.948 3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.465 15.972 5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.855 13.689 4.660 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.248 14.141 5.648 1.00 0.00 H new ATOM 86 N LYS A 23 -0.721 20.429 5.719 1.00 0.00 N ATOM 87 CA LYS A 23 0.229 21.531 6.014 1.00 0.00 C ATOM 88 C LYS A 23 1.579 20.920 6.401 1.00 0.00 C ATOM 89 O LYS A 23 2.628 21.427 6.056 1.00 0.00 O ATOM 90 CB LYS A 23 -0.420 22.292 7.182 1.00 0.00 C ATOM 91 CG LYS A 23 0.643 22.770 8.172 1.00 0.00 C ATOM 92 CD LYS A 23 0.157 24.039 8.873 1.00 0.00 C ATOM 93 CE LYS A 23 1.339 24.985 9.097 1.00 0.00 C ATOM 94 NZ LYS A 23 0.995 25.744 10.331 1.00 0.00 N ATOM 0 H LYS A 23 -1.505 20.344 6.366 1.00 0.00 H new ATOM 0 HA LYS A 23 0.416 22.199 5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.979 23.146 6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.134 21.646 7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.846 21.991 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.579 22.967 7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.606 24.531 8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.305 23.786 9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.270 24.432 9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.476 25.654 8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.759 26.415 10.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.108 26.266 10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.877 25.082 11.124 1.00 0.00 H new ATOM 108 N LYS A 24 1.552 19.821 7.104 1.00 0.00 N ATOM 109 CA LYS A 24 2.821 19.155 7.507 1.00 0.00 C ATOM 110 C LYS A 24 3.297 18.238 6.379 1.00 0.00 C ATOM 111 O LYS A 24 4.448 18.264 5.987 1.00 0.00 O ATOM 112 CB LYS A 24 2.479 18.329 8.751 1.00 0.00 C ATOM 113 CG LYS A 24 1.499 19.101 9.637 1.00 0.00 C ATOM 114 CD LYS A 24 2.006 19.106 11.081 1.00 0.00 C ATOM 115 CE LYS A 24 1.962 17.683 11.642 1.00 0.00 C ATOM 116 NZ LYS A 24 1.199 17.797 12.916 1.00 0.00 N ATOM 0 H LYS A 24 0.701 19.354 7.418 1.00 0.00 H new ATOM 0 HA LYS A 24 3.615 19.873 7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.042 17.375 8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.388 18.104 9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.393 20.124 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.511 18.642 9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.025 19.492 11.119 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.392 19.768 11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.472 17.000 10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.966 17.296 11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.126 16.860 13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.692 18.449 13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.245 18.162 12.718 1.00 0.00 H new ATOM 130 N TYR A 25 2.420 17.423 5.855 1.00 0.00 N ATOM 131 CA TYR A 25 2.822 16.502 4.757 1.00 0.00 C ATOM 132 C TYR A 25 2.129 16.894 3.445 1.00 0.00 C ATOM 133 O TYR A 25 1.407 16.106 2.869 1.00 0.00 O ATOM 134 CB TYR A 25 2.348 15.124 5.219 1.00 0.00 C ATOM 135 CG TYR A 25 2.752 14.904 6.657 1.00 0.00 C ATOM 136 CD1 TYR A 25 4.093 14.665 6.979 1.00 0.00 C ATOM 137 CD2 TYR A 25 1.784 14.941 7.669 1.00 0.00 C ATOM 138 CE1 TYR A 25 4.468 14.462 8.313 1.00 0.00 C ATOM 139 CE2 TYR A 25 2.159 14.738 9.003 1.00 0.00 C ATOM 140 CZ TYR A 25 3.500 14.498 9.325 1.00 0.00 C ATOM 141 OH TYR A 25 3.869 14.298 10.640 1.00 0.00 O ATOM 0 H TYR A 25 1.443 17.357 6.141 1.00 0.00 H new ATOM 0 HA TYR A 25 3.895 16.530 4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.265 15.049 5.120 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.781 14.349 4.587 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.839 14.637 6.198 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.749 15.126 7.421 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.503 14.278 8.561 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.413 14.767 9.784 1.00 0.00 H new ATOM 0 HH TYR A 25 3.077 14.356 11.214 1.00 0.00 H new ATOM 151 N PRO A 26 2.377 18.104 3.013 1.00 0.00 N ATOM 152 CA PRO A 26 1.762 18.600 1.753 1.00 0.00 C ATOM 153 C PRO A 26 2.348 17.862 0.548 1.00 0.00 C ATOM 154 O PRO A 26 1.679 17.638 -0.440 1.00 0.00 O ATOM 155 CB PRO A 26 2.143 20.079 1.728 1.00 0.00 C ATOM 156 CG PRO A 26 3.377 20.167 2.567 1.00 0.00 C ATOM 157 CD PRO A 26 3.243 19.112 3.634 1.00 0.00 C ATOM 0 HA PRO A 26 0.684 18.443 1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.330 20.423 0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.344 20.701 2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.269 19.998 1.964 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.475 21.158 3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.211 18.694 3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.800 19.516 4.544 1.00 0.00 H new ATOM 165 N ASP A 27 3.592 17.481 0.625 1.00 0.00 N ATOM 166 CA ASP A 27 4.219 16.755 -0.514 1.00 0.00 C ATOM 167 C ASP A 27 4.309 15.261 -0.199 1.00 0.00 C ATOM 168 O ASP A 27 5.093 14.540 -0.783 1.00 0.00 O ATOM 169 CB ASP A 27 5.617 17.359 -0.648 1.00 0.00 C ATOM 170 CG ASP A 27 6.038 17.356 -2.118 1.00 0.00 C ATOM 171 OD1 ASP A 27 5.199 17.649 -2.955 1.00 0.00 O ATOM 172 OD2 ASP A 27 7.191 17.060 -2.384 1.00 0.00 O ATOM 0 H ASP A 27 4.202 17.641 1.427 1.00 0.00 H new ATOM 0 HA ASP A 27 3.643 16.853 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.623 18.377 -0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.330 16.787 -0.054 1.00 0.00 H new ATOM 177 N ARG A 28 3.515 14.787 0.725 1.00 0.00 N ATOM 178 CA ARG A 28 3.569 13.339 1.072 1.00 0.00 C ATOM 179 C ARG A 28 2.195 12.690 0.880 1.00 0.00 C ATOM 180 O ARG A 28 1.257 13.316 0.426 1.00 0.00 O ATOM 181 CB ARG A 28 3.982 13.301 2.543 1.00 0.00 C ATOM 182 CG ARG A 28 5.486 13.045 2.641 1.00 0.00 C ATOM 183 CD ARG A 28 6.178 14.278 3.225 1.00 0.00 C ATOM 184 NE ARG A 28 6.644 13.854 4.574 1.00 0.00 N ATOM 185 CZ ARG A 28 7.702 14.406 5.102 1.00 0.00 C ATOM 186 NH1 ARG A 28 8.798 14.518 4.403 1.00 0.00 N ATOM 187 NH2 ARG A 28 7.663 14.847 6.330 1.00 0.00 N ATOM 0 H ARG A 28 2.836 15.337 1.251 1.00 0.00 H new ATOM 0 HA ARG A 28 4.265 12.790 0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.730 14.244 3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.434 12.518 3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.677 12.176 3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.892 12.820 1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.013 14.595 2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.491 15.122 3.292 1.00 0.00 H new ATOM 0 HE ARG A 28 6.136 13.132 5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.828 14.174 3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.625 14.950 4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.806 14.760 6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.490 15.279 6.743 1.00 0.00 H new ATOM 199 N VAL A 29 2.074 11.437 1.221 1.00 0.00 N ATOM 200 CA VAL A 29 0.768 10.738 1.059 1.00 0.00 C ATOM 201 C VAL A 29 0.596 9.682 2.158 1.00 0.00 C ATOM 202 O VAL A 29 1.323 8.704 2.199 1.00 0.00 O ATOM 203 CB VAL A 29 0.841 10.077 -0.322 1.00 0.00 C ATOM 204 CG1 VAL A 29 -0.203 8.962 -0.420 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.564 11.125 -1.403 1.00 0.00 C ATOM 0 H VAL A 29 2.826 10.865 1.606 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.080 11.418 1.138 1.00 0.00 H new ATOM 0 HB VAL A 29 1.835 9.654 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.146 8.496 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.009 8.213 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.198 9.382 -0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.616 10.656 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.430 11.547 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.309 11.918 -1.340 1.00 0.00 H new ATOM 215 N PRO A 30 -0.371 9.916 3.010 1.00 0.00 N ATOM 216 CA PRO A 30 -0.662 8.975 4.118 1.00 0.00 C ATOM 217 C PRO A 30 -1.444 7.767 3.590 1.00 0.00 C ATOM 218 O PRO A 30 -2.662 7.750 3.591 1.00 0.00 O ATOM 219 CB PRO A 30 -1.522 9.797 5.069 1.00 0.00 C ATOM 220 CG PRO A 30 -2.164 10.845 4.215 1.00 0.00 C ATOM 221 CD PRO A 30 -1.268 11.075 3.023 1.00 0.00 C ATOM 0 HA PRO A 30 0.235 8.581 4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.271 9.175 5.559 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.918 10.247 5.856 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.154 10.523 3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.297 11.769 4.778 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.844 11.141 2.100 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.711 12.007 3.119 1.00 0.00 H new ATOM 229 N VAL A 31 -0.756 6.765 3.121 1.00 0.00 N ATOM 230 CA VAL A 31 -1.452 5.572 2.580 1.00 0.00 C ATOM 231 C VAL A 31 -1.844 4.610 3.707 1.00 0.00 C ATOM 232 O VAL A 31 -1.195 4.534 4.732 1.00 0.00 O ATOM 233 CB VAL A 31 -0.435 4.917 1.635 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.342 5.991 0.869 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.554 4.052 2.425 1.00 0.00 C ATOM 0 H VAL A 31 0.263 6.723 3.090 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.377 5.836 2.068 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.981 4.288 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.060 5.514 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.352 6.594 0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.872 6.630 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.267 3.596 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.088 4.674 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.010 3.270 2.956 1.00 0.00 H new ATOM 245 N ILE A 32 -2.892 3.860 3.511 1.00 0.00 N ATOM 246 CA ILE A 32 -3.322 2.882 4.550 1.00 0.00 C ATOM 247 C ILE A 32 -2.961 1.473 4.077 1.00 0.00 C ATOM 248 O ILE A 32 -2.734 1.250 2.905 1.00 0.00 O ATOM 249 CB ILE A 32 -4.838 3.046 4.660 1.00 0.00 C ATOM 250 CG1 ILE A 32 -5.162 4.443 5.192 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.396 1.994 5.620 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.689 4.560 6.643 1.00 0.00 C ATOM 0 H ILE A 32 -3.472 3.882 2.672 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.840 3.045 5.514 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.290 2.917 3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.674 5.200 4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.235 4.627 5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.477 2.110 5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.165 0.998 5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.944 2.123 6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.920 5.556 7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.197 3.813 7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.613 4.395 6.689 1.00 0.00 H new ATOM 264 N VAL A 33 -2.887 0.521 4.964 1.00 0.00 N ATOM 265 CA VAL A 33 -2.520 -0.850 4.518 1.00 0.00 C ATOM 266 C VAL A 33 -3.442 -1.906 5.139 1.00 0.00 C ATOM 267 O VAL A 33 -3.817 -1.835 6.293 1.00 0.00 O ATOM 268 CB VAL A 33 -1.068 -1.032 4.975 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.765 -2.513 5.216 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.134 -0.500 3.886 1.00 0.00 C ATOM 0 H VAL A 33 -3.062 0.630 5.963 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.627 -0.973 3.440 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.916 -0.485 5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.270 -2.625 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.431 -2.900 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.918 -3.071 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.902 -0.625 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.301 -1.053 2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.337 0.558 3.718 1.00 0.00 H new ATOM 280 N GLU A 34 -3.786 -2.889 4.359 1.00 0.00 N ATOM 281 CA GLU A 34 -4.665 -3.990 4.840 1.00 0.00 C ATOM 282 C GLU A 34 -4.423 -5.237 3.980 1.00 0.00 C ATOM 283 O GLU A 34 -3.677 -5.202 3.017 1.00 0.00 O ATOM 284 CB GLU A 34 -6.093 -3.473 4.657 1.00 0.00 C ATOM 285 CG GLU A 34 -7.002 -4.091 5.721 1.00 0.00 C ATOM 286 CD GLU A 34 -8.247 -3.221 5.899 1.00 0.00 C ATOM 287 OE1 GLU A 34 -8.160 -2.238 6.619 1.00 0.00 O ATOM 288 OE2 GLU A 34 -9.263 -3.549 5.313 1.00 0.00 O ATOM 0 H GLU A 34 -3.489 -2.978 3.387 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.473 -4.264 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.110 -2.386 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.457 -3.726 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.290 -5.100 5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.467 -4.176 6.667 1.00 0.00 H new ATOM 295 N LYS A 35 -5.039 -6.336 4.310 1.00 0.00 N ATOM 296 CA LYS A 35 -4.826 -7.569 3.499 1.00 0.00 C ATOM 297 C LYS A 35 -6.029 -7.829 2.593 1.00 0.00 C ATOM 298 O LYS A 35 -7.116 -7.338 2.827 1.00 0.00 O ATOM 299 CB LYS A 35 -4.682 -8.698 4.517 1.00 0.00 C ATOM 300 CG LYS A 35 -3.393 -9.478 4.245 1.00 0.00 C ATOM 301 CD LYS A 35 -2.183 -8.550 4.396 1.00 0.00 C ATOM 302 CE LYS A 35 -2.169 -7.948 5.805 1.00 0.00 C ATOM 303 NZ LYS A 35 -0.924 -8.462 6.437 1.00 0.00 N ATOM 0 H LYS A 35 -5.677 -6.436 5.100 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.952 -7.483 2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.665 -8.289 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.542 -9.366 4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.310 -10.315 4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.417 -9.899 3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.262 -9.105 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.226 -7.756 3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.171 -6.859 5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.051 -8.249 6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.890 -8.160 7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.914 -9.501 6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.097 -8.085 5.932 1.00 0.00 H new ATOM 317 N ALA A 36 -5.843 -8.612 1.568 1.00 0.00 N ATOM 318 CA ALA A 36 -6.978 -8.921 0.652 1.00 0.00 C ATOM 319 C ALA A 36 -8.065 -9.662 1.434 1.00 0.00 C ATOM 320 O ALA A 36 -7.957 -9.818 2.634 1.00 0.00 O ATOM 321 CB ALA A 36 -6.375 -9.817 -0.434 1.00 0.00 C ATOM 0 H ALA A 36 -4.955 -9.052 1.324 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.437 -8.031 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.149 -10.090 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.578 -9.280 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.969 -10.719 0.023 1.00 0.00 H new ATOM 327 N PRO A 37 -9.082 -10.102 0.739 1.00 0.00 N ATOM 328 CA PRO A 37 -10.181 -10.834 1.411 1.00 0.00 C ATOM 329 C PRO A 37 -9.695 -12.213 1.858 1.00 0.00 C ATOM 330 O PRO A 37 -9.549 -13.121 1.063 1.00 0.00 O ATOM 331 CB PRO A 37 -11.255 -10.943 0.331 1.00 0.00 C ATOM 332 CG PRO A 37 -10.513 -10.838 -0.962 1.00 0.00 C ATOM 333 CD PRO A 37 -9.306 -9.972 -0.706 1.00 0.00 C ATOM 0 HA PRO A 37 -10.549 -10.338 2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.792 -11.889 0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.995 -10.148 0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.212 -11.824 -1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.145 -10.401 -1.735 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.442 -10.311 -1.277 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.489 -8.936 -0.991 1.00 0.00 H new ATOM 341 N LYS A 38 -9.436 -12.374 3.127 1.00 0.00 N ATOM 342 CA LYS A 38 -8.951 -13.688 3.629 1.00 0.00 C ATOM 343 C LYS A 38 -7.589 -14.016 3.012 1.00 0.00 C ATOM 344 O LYS A 38 -7.316 -15.143 2.648 1.00 0.00 O ATOM 345 CB LYS A 38 -10.009 -14.692 3.177 1.00 0.00 C ATOM 346 CG LYS A 38 -10.713 -15.276 4.404 1.00 0.00 C ATOM 347 CD LYS A 38 -12.208 -15.416 4.116 1.00 0.00 C ATOM 348 CE LYS A 38 -12.919 -15.962 5.356 1.00 0.00 C ATOM 349 NZ LYS A 38 -14.304 -16.265 4.902 1.00 0.00 N ATOM 0 H LYS A 38 -9.540 -11.650 3.838 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.816 -13.700 4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.734 -14.204 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.545 -15.489 2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.287 -16.248 4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.557 -14.630 5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.628 -14.449 3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.365 -16.085 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.423 -16.856 5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.919 -15.231 6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.855 -16.644 5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.753 -15.394 4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.272 -16.968 4.137 1.00 0.00 H new ATOM 363 N ALA A 39 -6.731 -13.038 2.890 1.00 0.00 N ATOM 364 CA ALA A 39 -5.387 -13.293 2.296 1.00 0.00 C ATOM 365 C ALA A 39 -4.610 -14.294 3.156 1.00 0.00 C ATOM 366 O ALA A 39 -5.091 -14.758 4.170 1.00 0.00 O ATOM 367 CB ALA A 39 -4.689 -11.933 2.292 1.00 0.00 C ATOM 0 H ALA A 39 -6.903 -12.074 3.176 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.453 -13.719 1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.690 -12.038 1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.266 -11.230 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.612 -11.560 3.313 1.00 0.00 H new ATOM 373 N ARG A 40 -3.412 -14.629 2.759 1.00 0.00 N ATOM 374 CA ARG A 40 -2.611 -15.603 3.557 1.00 0.00 C ATOM 375 C ARG A 40 -1.113 -15.319 3.405 1.00 0.00 C ATOM 376 O ARG A 40 -0.304 -16.225 3.379 1.00 0.00 O ATOM 377 CB ARG A 40 -2.958 -16.972 2.973 1.00 0.00 C ATOM 378 CG ARG A 40 -2.494 -17.035 1.517 1.00 0.00 C ATOM 379 CD ARG A 40 -3.662 -17.461 0.625 1.00 0.00 C ATOM 380 NE ARG A 40 -4.035 -18.822 1.103 1.00 0.00 N ATOM 381 CZ ARG A 40 -4.313 -19.762 0.241 1.00 0.00 C ATOM 382 NH1 ARG A 40 -3.365 -20.270 -0.499 1.00 0.00 N ATOM 383 NH2 ARG A 40 -5.538 -20.195 0.120 1.00 0.00 N ATOM 0 H ARG A 40 -2.954 -14.272 1.920 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.835 -15.542 4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.478 -17.760 3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.033 -17.143 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.119 -16.061 1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.670 -17.742 1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.499 -16.768 0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.371 -17.477 -0.425 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.073 -19.019 2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.407 -19.932 -0.404 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.582 -21.005 -1.173 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.278 -19.799 0.699 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.755 -20.930 -0.554 1.00 0.00 H new ATOM 395 N ILE A 41 -0.736 -14.074 3.300 1.00 0.00 N ATOM 396 CA ILE A 41 0.708 -13.744 3.145 1.00 0.00 C ATOM 397 C ILE A 41 1.382 -13.677 4.523 1.00 0.00 C ATOM 398 O ILE A 41 0.752 -13.880 5.542 1.00 0.00 O ATOM 399 CB ILE A 41 0.743 -12.376 2.436 1.00 0.00 C ATOM 400 CG1 ILE A 41 0.663 -11.231 3.457 1.00 0.00 C ATOM 401 CG2 ILE A 41 -0.427 -12.259 1.455 1.00 0.00 C ATOM 402 CD1 ILE A 41 -0.558 -11.395 4.362 1.00 0.00 C ATOM 0 H ILE A 41 -1.366 -13.272 3.315 1.00 0.00 H new ATOM 0 HA ILE A 41 1.247 -14.497 2.570 1.00 0.00 H new ATOM 0 HB ILE A 41 1.685 -12.302 1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.570 -11.213 4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.609 -10.276 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.391 -11.288 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.356 -13.050 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.368 -12.356 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.594 -10.573 5.077 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.464 -11.389 3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.488 -12.341 4.900 1.00 0.00 H new ATOM 414 N GLY A 42 2.658 -13.402 4.562 1.00 0.00 N ATOM 415 CA GLY A 42 3.366 -13.332 5.875 1.00 0.00 C ATOM 416 C GLY A 42 2.691 -12.296 6.774 1.00 0.00 C ATOM 417 O GLY A 42 1.720 -11.671 6.402 1.00 0.00 O ATOM 0 H GLY A 42 3.241 -13.223 3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.353 -14.309 6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.412 -13.066 5.721 1.00 0.00 H new ATOM 421 N ASP A 43 3.202 -12.115 7.962 1.00 0.00 N ATOM 422 CA ASP A 43 2.595 -11.122 8.895 1.00 0.00 C ATOM 423 C ASP A 43 2.862 -9.698 8.401 1.00 0.00 C ATOM 424 O ASP A 43 3.281 -9.490 7.280 1.00 0.00 O ATOM 425 CB ASP A 43 3.290 -11.362 10.236 1.00 0.00 C ATOM 426 CG ASP A 43 2.245 -11.397 11.353 1.00 0.00 C ATOM 427 OD1 ASP A 43 1.508 -10.433 11.478 1.00 0.00 O ATOM 428 OD2 ASP A 43 2.200 -12.388 12.065 1.00 0.00 O ATOM 0 H ASP A 43 4.014 -12.612 8.327 1.00 0.00 H new ATOM 0 HA ASP A 43 1.513 -11.234 8.970 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.841 -12.302 10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.017 -10.572 10.428 1.00 0.00 H new ATOM 433 N LEU A 44 2.617 -8.715 9.225 1.00 0.00 N ATOM 434 CA LEU A 44 2.851 -7.309 8.790 1.00 0.00 C ATOM 435 C LEU A 44 3.436 -6.474 9.940 1.00 0.00 C ATOM 436 O LEU A 44 3.163 -6.704 11.101 1.00 0.00 O ATOM 437 CB LEU A 44 1.468 -6.818 8.314 1.00 0.00 C ATOM 438 CG LEU A 44 0.750 -5.934 9.350 1.00 0.00 C ATOM 439 CD1 LEU A 44 0.675 -6.637 10.706 1.00 0.00 C ATOM 440 CD2 LEU A 44 1.480 -4.599 9.497 1.00 0.00 C ATOM 0 H LEU A 44 2.266 -8.824 10.177 1.00 0.00 H new ATOM 0 HA LEU A 44 3.586 -7.219 7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.588 -6.257 7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.842 -7.681 8.085 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.265 -5.752 8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.164 -5.993 11.422 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.125 -7.572 10.601 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.683 -6.847 11.063 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.964 -3.981 10.232 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.503 -4.778 9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.494 -4.084 8.536 1.00 0.00 H new ATOM 452 N ASP A 45 4.264 -5.515 9.617 1.00 0.00 N ATOM 453 CA ASP A 45 4.887 -4.665 10.677 1.00 0.00 C ATOM 454 C ASP A 45 3.977 -3.479 11.011 1.00 0.00 C ATOM 455 O ASP A 45 3.790 -3.130 12.160 1.00 0.00 O ATOM 456 CB ASP A 45 6.204 -4.177 10.073 1.00 0.00 C ATOM 457 CG ASP A 45 7.346 -4.448 11.055 1.00 0.00 C ATOM 458 OD1 ASP A 45 7.226 -4.043 12.200 1.00 0.00 O ATOM 459 OD2 ASP A 45 8.322 -5.056 10.644 1.00 0.00 O ATOM 0 H ASP A 45 4.537 -5.283 8.662 1.00 0.00 H new ATOM 0 HA ASP A 45 5.044 -5.215 11.605 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.394 -4.686 9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.143 -3.111 9.854 1.00 0.00 H new ATOM 464 N LYS A 46 3.414 -2.857 10.012 1.00 0.00 N ATOM 465 CA LYS A 46 2.516 -1.692 10.261 1.00 0.00 C ATOM 466 C LYS A 46 1.488 -1.581 9.133 1.00 0.00 C ATOM 467 O LYS A 46 1.680 -2.107 8.055 1.00 0.00 O ATOM 468 CB LYS A 46 3.440 -0.474 10.269 1.00 0.00 C ATOM 469 CG LYS A 46 4.037 -0.294 11.666 1.00 0.00 C ATOM 470 CD LYS A 46 5.484 -0.791 11.672 1.00 0.00 C ATOM 471 CE LYS A 46 5.825 -1.358 13.052 1.00 0.00 C ATOM 472 NZ LYS A 46 6.460 -0.228 13.785 1.00 0.00 N ATOM 0 H LYS A 46 3.537 -3.106 9.030 1.00 0.00 H new ATOM 0 HA LYS A 46 1.961 -1.784 11.195 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.236 -0.604 9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.885 0.419 9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.001 0.756 11.956 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.449 -0.847 12.398 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.619 -1.558 10.909 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.161 0.027 11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.931 -1.710 13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.503 -2.208 12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.723 -0.539 14.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.312 0.081 13.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.789 0.564 13.850 1.00 0.00 H new ATOM 486 N LYS A 47 0.396 -0.905 9.369 1.00 0.00 N ATOM 487 CA LYS A 47 -0.636 -0.776 8.300 1.00 0.00 C ATOM 488 C LYS A 47 -0.808 0.689 7.897 1.00 0.00 C ATOM 489 O LYS A 47 -1.905 1.154 7.658 1.00 0.00 O ATOM 490 CB LYS A 47 -1.927 -1.330 8.915 1.00 0.00 C ATOM 491 CG LYS A 47 -2.451 -0.376 9.995 1.00 0.00 C ATOM 492 CD LYS A 47 -1.798 -0.713 11.338 1.00 0.00 C ATOM 493 CE LYS A 47 -2.884 -0.911 12.397 1.00 0.00 C ATOM 494 NZ LYS A 47 -3.104 0.443 12.977 1.00 0.00 N ATOM 0 H LYS A 47 0.175 -0.439 10.249 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.358 -1.317 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.681 -1.462 8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.740 -2.313 9.347 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.231 0.656 9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.535 -0.461 10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.196 -1.617 11.245 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.124 0.089 11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.799 -1.305 11.956 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.567 -1.621 13.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.837 0.391 13.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.217 0.790 13.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.412 1.096 12.228 1.00 0.00 H new ATOM 508 N LYS A 48 0.268 1.419 7.814 1.00 0.00 N ATOM 509 CA LYS A 48 0.162 2.853 7.421 1.00 0.00 C ATOM 510 C LYS A 48 1.523 3.379 6.961 1.00 0.00 C ATOM 511 O LYS A 48 2.415 3.593 7.758 1.00 0.00 O ATOM 512 CB LYS A 48 -0.292 3.577 8.689 1.00 0.00 C ATOM 513 CG LYS A 48 0.718 3.321 9.810 1.00 0.00 C ATOM 514 CD LYS A 48 -0.026 3.133 11.135 1.00 0.00 C ATOM 515 CE LYS A 48 0.972 3.198 12.294 1.00 0.00 C ATOM 516 NZ LYS A 48 0.132 3.207 13.523 1.00 0.00 N ATOM 0 H LYS A 48 1.214 1.087 8.000 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.531 3.004 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.378 4.647 8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.280 3.226 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.311 2.434 9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.413 4.158 9.886 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.785 3.906 11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.544 2.174 11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.647 2.342 12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.591 4.093 12.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.745 3.251 14.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.495 4.037 13.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.441 2.340 13.558 1.00 0.00 H new ATOM 530 N TYR A 49 1.692 3.597 5.684 1.00 0.00 N ATOM 531 CA TYR A 49 3.002 4.115 5.195 1.00 0.00 C ATOM 532 C TYR A 49 2.863 5.575 4.766 1.00 0.00 C ATOM 533 O TYR A 49 1.874 5.977 4.188 1.00 0.00 O ATOM 534 CB TYR A 49 3.371 3.252 3.988 1.00 0.00 C ATOM 535 CG TYR A 49 3.669 1.843 4.437 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.656 1.060 4.993 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.961 1.322 4.297 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.929 -0.247 5.415 1.00 0.00 C ATOM 539 CE2 TYR A 49 5.237 0.015 4.716 1.00 0.00 C ATOM 540 CZ TYR A 49 4.221 -0.769 5.276 1.00 0.00 C ATOM 541 OH TYR A 49 4.493 -2.058 5.691 1.00 0.00 O ATOM 0 H TYR A 49 0.986 3.440 4.964 1.00 0.00 H new ATOM 0 HA TYR A 49 3.765 4.069 5.972 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.552 3.248 3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.239 3.673 3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.660 1.463 5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.744 1.928 3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.145 -0.851 5.847 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.233 -0.388 4.607 1.00 0.00 H new ATOM 0 HH TYR A 49 4.189 -2.692 5.009 1.00 0.00 H new ATOM 551 N LEU A 50 3.863 6.361 5.031 1.00 0.00 N ATOM 552 CA LEU A 50 3.821 7.794 4.629 1.00 0.00 C ATOM 553 C LEU A 50 4.925 8.046 3.606 1.00 0.00 C ATOM 554 O LEU A 50 6.089 8.124 3.945 1.00 0.00 O ATOM 555 CB LEU A 50 4.082 8.581 5.914 1.00 0.00 C ATOM 556 CG LEU A 50 2.800 9.298 6.341 1.00 0.00 C ATOM 557 CD1 LEU A 50 1.747 8.266 6.745 1.00 0.00 C ATOM 558 CD2 LEU A 50 3.101 10.211 7.532 1.00 0.00 C ATOM 0 H LEU A 50 4.715 6.073 5.512 1.00 0.00 H new ATOM 0 HA LEU A 50 2.873 8.085 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.416 7.908 6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.881 9.305 5.754 1.00 0.00 H new ATOM 0 HG LEU A 50 2.423 9.894 5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.834 8.778 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.533 7.614 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.123 7.669 7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.189 10.723 7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.478 9.614 8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.852 10.948 7.245 1.00 0.00 H new ATOM 570 N VAL A 51 4.582 8.146 2.352 1.00 0.00 N ATOM 571 CA VAL A 51 5.639 8.362 1.323 1.00 0.00 C ATOM 572 C VAL A 51 5.283 9.534 0.405 1.00 0.00 C ATOM 573 O VAL A 51 4.148 9.958 0.345 1.00 0.00 O ATOM 574 CB VAL A 51 5.691 7.051 0.536 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.659 5.866 1.506 1.00 0.00 C ATOM 576 CG2 VAL A 51 4.485 6.971 -0.405 1.00 0.00 C ATOM 0 H VAL A 51 3.627 8.088 1.997 1.00 0.00 H new ATOM 0 HA VAL A 51 6.600 8.612 1.772 1.00 0.00 H new ATOM 0 HB VAL A 51 6.611 7.017 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.696 4.934 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.518 5.920 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.740 5.900 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.522 6.037 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.565 7.008 0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.508 7.812 -1.099 1.00 0.00 H new ATOM 586 N PRO A 52 6.283 10.016 -0.282 1.00 0.00 N ATOM 587 CA PRO A 52 6.093 11.159 -1.212 1.00 0.00 C ATOM 588 C PRO A 52 5.236 10.736 -2.414 1.00 0.00 C ATOM 589 O PRO A 52 5.277 9.605 -2.853 1.00 0.00 O ATOM 590 CB PRO A 52 7.523 11.517 -1.626 1.00 0.00 C ATOM 591 CG PRO A 52 8.305 10.261 -1.425 1.00 0.00 C ATOM 592 CD PRO A 52 7.671 9.544 -0.263 1.00 0.00 C ATOM 0 HA PRO A 52 5.568 12.004 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.563 11.846 -2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.919 12.331 -1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.282 9.642 -2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.352 10.485 -1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.728 8.462 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.165 9.789 0.677 1.00 0.00 H new ATOM 600 N SER A 53 4.442 11.637 -2.927 1.00 0.00 N ATOM 601 CA SER A 53 3.554 11.304 -4.082 1.00 0.00 C ATOM 602 C SER A 53 4.365 10.938 -5.330 1.00 0.00 C ATOM 603 O SER A 53 3.828 10.455 -6.308 1.00 0.00 O ATOM 604 CB SER A 53 2.751 12.581 -4.326 1.00 0.00 C ATOM 605 OG SER A 53 1.506 12.493 -3.646 1.00 0.00 O ATOM 0 H SER A 53 4.369 12.598 -2.593 1.00 0.00 H new ATOM 0 HA SER A 53 2.924 10.440 -3.870 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.310 13.448 -3.974 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.585 12.721 -5.394 1.00 0.00 H new ATOM 0 HG SER A 53 0.990 13.312 -3.800 1.00 0.00 H new ATOM 611 N ASP A 54 5.646 11.168 -5.316 1.00 0.00 N ATOM 612 CA ASP A 54 6.476 10.840 -6.510 1.00 0.00 C ATOM 613 C ASP A 54 6.878 9.360 -6.500 1.00 0.00 C ATOM 614 O ASP A 54 7.441 8.858 -7.452 1.00 0.00 O ATOM 615 CB ASP A 54 7.714 11.730 -6.386 1.00 0.00 C ATOM 616 CG ASP A 54 8.197 12.131 -7.781 1.00 0.00 C ATOM 617 OD1 ASP A 54 8.720 11.273 -8.475 1.00 0.00 O ATOM 618 OD2 ASP A 54 8.038 13.288 -8.132 1.00 0.00 O ATOM 0 H ASP A 54 6.157 11.569 -4.529 1.00 0.00 H new ATOM 0 HA ASP A 54 5.936 11.011 -7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.478 12.619 -5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.504 11.200 -5.855 1.00 0.00 H new ATOM 623 N LEU A 55 6.602 8.660 -5.433 1.00 0.00 N ATOM 624 CA LEU A 55 6.985 7.217 -5.377 1.00 0.00 C ATOM 625 C LEU A 55 6.267 6.415 -6.456 1.00 0.00 C ATOM 626 O LEU A 55 5.104 6.622 -6.737 1.00 0.00 O ATOM 627 CB LEU A 55 6.537 6.712 -4.004 1.00 0.00 C ATOM 628 CG LEU A 55 7.742 6.563 -3.080 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.330 5.748 -1.854 1.00 0.00 C ATOM 630 CD2 LEU A 55 8.874 5.831 -3.802 1.00 0.00 C ATOM 0 H LEU A 55 6.131 9.020 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 55 8.057 7.102 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.819 7.407 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.029 5.753 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 55 8.087 7.553 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.185 5.636 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.525 6.262 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.985 4.764 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.728 5.731 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.532 4.841 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.170 6.398 -4.684 1.00 0.00 H new ATOM 642 N THR A 56 6.955 5.480 -7.042 1.00 0.00 N ATOM 643 CA THR A 56 6.325 4.627 -8.085 1.00 0.00 C ATOM 644 C THR A 56 5.723 3.380 -7.430 1.00 0.00 C ATOM 645 O THR A 56 6.110 2.988 -6.342 1.00 0.00 O ATOM 646 CB THR A 56 7.465 4.244 -9.030 1.00 0.00 C ATOM 647 OG1 THR A 56 8.659 4.064 -8.279 1.00 0.00 O ATOM 648 CG2 THR A 56 7.672 5.354 -10.062 1.00 0.00 C ATOM 0 H THR A 56 7.933 5.268 -6.843 1.00 0.00 H new ATOM 0 HA THR A 56 5.520 5.136 -8.615 1.00 0.00 H new ATOM 0 HB THR A 56 7.214 3.316 -9.545 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.127 3.263 -8.595 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.485 5.079 -10.734 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.756 5.492 -10.637 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.923 6.284 -9.551 1.00 0.00 H new ATOM 656 N VAL A 57 4.786 2.748 -8.079 1.00 0.00 N ATOM 657 CA VAL A 57 4.178 1.526 -7.485 1.00 0.00 C ATOM 658 C VAL A 57 5.270 0.491 -7.204 1.00 0.00 C ATOM 659 O VAL A 57 5.126 -0.367 -6.356 1.00 0.00 O ATOM 660 CB VAL A 57 3.206 1.014 -8.545 1.00 0.00 C ATOM 661 CG1 VAL A 57 2.655 -0.349 -8.123 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.049 2.006 -8.697 1.00 0.00 C ATOM 0 H VAL A 57 4.417 3.023 -8.989 1.00 0.00 H new ATOM 0 HA VAL A 57 3.674 1.724 -6.539 1.00 0.00 H new ATOM 0 HB VAL A 57 3.729 0.914 -9.496 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.961 -0.712 -8.882 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.477 -1.056 -8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.133 -0.252 -7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.354 1.642 -9.454 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.528 2.106 -7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.440 2.977 -9.001 1.00 0.00 H new ATOM 672 N GLY A 58 6.367 0.570 -7.910 1.00 0.00 N ATOM 673 CA GLY A 58 7.475 -0.401 -7.685 1.00 0.00 C ATOM 674 C GLY A 58 8.134 -0.116 -6.334 1.00 0.00 C ATOM 675 O GLY A 58 8.564 -1.016 -5.640 1.00 0.00 O ATOM 0 H GLY A 58 6.543 1.267 -8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.090 -1.420 -7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.211 -0.322 -8.485 1.00 0.00 H new ATOM 679 N GLN A 59 8.211 1.131 -5.952 1.00 0.00 N ATOM 680 CA GLN A 59 8.835 1.468 -4.639 1.00 0.00 C ATOM 681 C GLN A 59 7.950 0.948 -3.511 1.00 0.00 C ATOM 682 O GLN A 59 8.399 0.257 -2.614 1.00 0.00 O ATOM 683 CB GLN A 59 8.902 2.993 -4.602 1.00 0.00 C ATOM 684 CG GLN A 59 9.840 3.490 -5.701 1.00 0.00 C ATOM 685 CD GLN A 59 11.292 3.259 -5.278 1.00 0.00 C ATOM 686 OE1 GLN A 59 11.925 4.142 -4.734 1.00 0.00 O ATOM 687 NE2 GLN A 59 11.850 2.102 -5.507 1.00 0.00 N ATOM 0 H GLN A 59 7.870 1.928 -6.490 1.00 0.00 H new ATOM 0 HA GLN A 59 9.822 1.021 -4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.906 3.415 -4.741 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.257 3.328 -3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.634 2.965 -6.634 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.669 4.550 -5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.318 1.361 -5.964 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.818 1.939 -5.229 1.00 0.00 H new ATOM 696 N PHE A 60 6.685 1.263 -3.556 1.00 0.00 N ATOM 697 CA PHE A 60 5.773 0.769 -2.486 1.00 0.00 C ATOM 698 C PHE A 60 5.785 -0.762 -2.483 1.00 0.00 C ATOM 699 O PHE A 60 5.724 -1.393 -1.449 1.00 0.00 O ATOM 700 CB PHE A 60 4.383 1.304 -2.836 1.00 0.00 C ATOM 701 CG PHE A 60 3.536 1.278 -1.588 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.030 1.841 -0.405 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.275 0.673 -1.601 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.263 1.802 0.764 1.00 0.00 C ATOM 705 CE2 PHE A 60 1.511 0.630 -0.428 1.00 0.00 C ATOM 706 CZ PHE A 60 2.008 1.194 0.753 1.00 0.00 C ATOM 0 H PHE A 60 6.247 1.834 -4.278 1.00 0.00 H new ATOM 0 HA PHE A 60 6.076 1.104 -1.494 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.454 2.320 -3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.927 0.695 -3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.005 2.306 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.891 0.240 -2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.642 2.242 1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.538 0.161 -0.435 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.418 1.158 1.657 1.00 0.00 H new ATOM 716 N TYR A 61 5.896 -1.359 -3.635 1.00 0.00 N ATOM 717 CA TYR A 61 5.947 -2.846 -3.718 1.00 0.00 C ATOM 718 C TYR A 61 7.048 -3.386 -2.797 1.00 0.00 C ATOM 719 O TYR A 61 6.935 -4.455 -2.225 1.00 0.00 O ATOM 720 CB TYR A 61 6.309 -3.106 -5.180 1.00 0.00 C ATOM 721 CG TYR A 61 5.340 -4.082 -5.801 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.500 -5.455 -5.591 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.291 -3.613 -6.598 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.609 -6.362 -6.179 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.398 -4.519 -7.185 1.00 0.00 C ATOM 726 CZ TYR A 61 3.558 -5.894 -6.977 1.00 0.00 C ATOM 727 OH TYR A 61 2.680 -6.787 -7.556 1.00 0.00 O ATOM 0 H TYR A 61 5.954 -0.877 -4.532 1.00 0.00 H new ATOM 0 HA TYR A 61 5.017 -3.327 -3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.296 -2.168 -5.736 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.323 -3.501 -5.245 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.311 -5.816 -4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.169 -2.552 -6.761 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.733 -7.423 -6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.586 -4.157 -7.798 1.00 0.00 H new ATOM 0 HH TYR A 61 2.010 -6.296 -8.076 1.00 0.00 H new ATOM 737 N PHE A 62 8.127 -2.659 -2.673 1.00 0.00 N ATOM 738 CA PHE A 62 9.262 -3.128 -1.826 1.00 0.00 C ATOM 739 C PHE A 62 9.028 -2.877 -0.330 1.00 0.00 C ATOM 740 O PHE A 62 9.205 -3.764 0.481 1.00 0.00 O ATOM 741 CB PHE A 62 10.463 -2.316 -2.315 1.00 0.00 C ATOM 742 CG PHE A 62 11.674 -3.213 -2.406 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.356 -3.589 -1.243 1.00 0.00 C ATOM 744 CD2 PHE A 62 12.114 -3.669 -3.654 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.480 -4.421 -1.328 1.00 0.00 C ATOM 746 CE2 PHE A 62 13.238 -4.501 -3.739 1.00 0.00 C ATOM 747 CZ PHE A 62 13.920 -4.877 -2.577 1.00 0.00 C ATOM 0 H PHE A 62 8.271 -1.756 -3.125 1.00 0.00 H new ATOM 0 HA PHE A 62 9.399 -4.205 -1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.247 -1.879 -3.290 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.660 -1.490 -1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.016 -3.238 -0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.587 -3.380 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.007 -4.711 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.578 -4.852 -4.702 1.00 0.00 H new ATOM 0 HZ PHE A 62 14.786 -5.519 -2.643 1.00 0.00 H new ATOM 757 N LEU A 63 8.679 -1.680 0.062 1.00 0.00 N ATOM 758 CA LEU A 63 8.504 -1.428 1.531 1.00 0.00 C ATOM 759 C LEU A 63 7.448 -2.354 2.154 1.00 0.00 C ATOM 760 O LEU A 63 7.642 -2.846 3.248 1.00 0.00 O ATOM 761 CB LEU A 63 8.138 0.052 1.718 1.00 0.00 C ATOM 762 CG LEU A 63 7.060 0.509 0.735 1.00 0.00 C ATOM 763 CD1 LEU A 63 5.724 0.638 1.471 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.471 1.878 0.177 1.00 0.00 C ATOM 0 H LEU A 63 8.510 -0.882 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 63 9.436 -1.650 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.789 0.212 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.030 0.664 1.587 1.00 0.00 H new ATOM 0 HG LEU A 63 6.953 -0.213 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.954 0.964 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.446 -0.328 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.820 1.370 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.716 2.225 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.559 2.593 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.430 1.790 -0.333 1.00 0.00 H new ATOM 776 N ILE A 64 6.354 -2.641 1.495 1.00 0.00 N ATOM 777 CA ILE A 64 5.381 -3.582 2.138 1.00 0.00 C ATOM 778 C ILE A 64 5.914 -5.004 1.982 1.00 0.00 C ATOM 779 O ILE A 64 5.856 -5.800 2.894 1.00 0.00 O ATOM 780 CB ILE A 64 4.021 -3.465 1.433 1.00 0.00 C ATOM 781 CG1 ILE A 64 3.782 -2.046 0.902 1.00 0.00 C ATOM 782 CG2 ILE A 64 2.925 -3.823 2.440 1.00 0.00 C ATOM 783 CD1 ILE A 64 2.297 -1.861 0.569 1.00 0.00 C ATOM 0 H ILE A 64 6.096 -2.282 0.576 1.00 0.00 H new ATOM 0 HA ILE A 64 5.260 -3.340 3.194 1.00 0.00 H new ATOM 0 HB ILE A 64 4.006 -4.145 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.092 -1.312 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.388 -1.873 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.950 -3.746 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.075 -4.843 2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.968 -3.135 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.132 -0.852 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.002 -2.585 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.701 -2.015 1.468 1.00 0.00 H new ATOM 795 N ARG A 65 6.439 -5.326 0.829 1.00 0.00 N ATOM 796 CA ARG A 65 6.988 -6.699 0.617 1.00 0.00 C ATOM 797 C ARG A 65 7.799 -7.133 1.841 1.00 0.00 C ATOM 798 O ARG A 65 7.577 -8.188 2.400 1.00 0.00 O ATOM 799 CB ARG A 65 7.894 -6.581 -0.610 1.00 0.00 C ATOM 800 CG ARG A 65 7.191 -7.188 -1.825 1.00 0.00 C ATOM 801 CD ARG A 65 8.132 -7.150 -3.031 1.00 0.00 C ATOM 802 NE ARG A 65 9.137 -8.216 -2.765 1.00 0.00 N ATOM 803 CZ ARG A 65 10.411 -7.937 -2.806 1.00 0.00 C ATOM 804 NH1 ARG A 65 10.893 -6.974 -2.067 1.00 0.00 N ATOM 805 NH2 ARG A 65 11.206 -8.619 -3.585 1.00 0.00 N ATOM 0 H ARG A 65 6.512 -4.700 0.027 1.00 0.00 H new ATOM 0 HA ARG A 65 6.203 -7.441 0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.132 -5.534 -0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.838 -7.095 -0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.897 -8.216 -1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.278 -6.634 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.593 -7.338 -3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.608 -6.174 -3.131 1.00 0.00 H new ATOM 0 HE ARG A 65 8.829 -9.165 -2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.273 -6.440 -1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.889 -6.756 -2.099 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.832 -9.371 -4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.202 -8.399 -3.616 1.00 0.00 H new ATOM 817 N LYS A 66 8.733 -6.327 2.265 1.00 0.00 N ATOM 818 CA LYS A 66 9.545 -6.698 3.458 1.00 0.00 C ATOM 819 C LYS A 66 8.640 -6.782 4.686 1.00 0.00 C ATOM 820 O LYS A 66 8.822 -7.616 5.551 1.00 0.00 O ATOM 821 CB LYS A 66 10.568 -5.573 3.614 1.00 0.00 C ATOM 822 CG LYS A 66 11.872 -5.968 2.916 1.00 0.00 C ATOM 823 CD LYS A 66 12.233 -4.911 1.870 1.00 0.00 C ATOM 824 CE LYS A 66 13.143 -3.856 2.501 1.00 0.00 C ATOM 825 NZ LYS A 66 14.527 -4.359 2.277 1.00 0.00 N ATOM 0 H LYS A 66 8.969 -5.431 1.839 1.00 0.00 H new ATOM 0 HA LYS A 66 10.033 -7.667 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.178 -4.650 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.753 -5.379 4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.675 -6.060 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.761 -6.942 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.735 -5.379 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.328 -4.442 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.997 -2.880 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.933 -3.738 3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.176 -3.900 2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.550 -5.388 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.823 -4.141 1.304 1.00 0.00 H new ATOM 839 N ARG A 67 7.656 -5.930 4.764 1.00 0.00 N ATOM 840 CA ARG A 67 6.730 -5.968 5.929 1.00 0.00 C ATOM 841 C ARG A 67 5.856 -7.223 5.849 1.00 0.00 C ATOM 842 O ARG A 67 5.244 -7.627 6.815 1.00 0.00 O ATOM 843 CB ARG A 67 5.877 -4.704 5.803 1.00 0.00 C ATOM 844 CG ARG A 67 6.789 -3.484 5.666 1.00 0.00 C ATOM 845 CD ARG A 67 6.911 -2.782 7.020 1.00 0.00 C ATOM 846 NE ARG A 67 8.029 -1.813 6.852 1.00 0.00 N ATOM 847 CZ ARG A 67 7.773 -0.556 6.610 1.00 0.00 C ATOM 848 NH1 ARG A 67 6.795 0.043 7.234 1.00 0.00 N ATOM 849 NH2 ARG A 67 8.496 0.103 5.746 1.00 0.00 N ATOM 0 H ARG A 67 7.453 -5.209 4.071 1.00 0.00 H new ATOM 0 HA ARG A 67 7.256 -6.001 6.883 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.221 -4.780 4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.237 -4.596 6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.774 -3.791 5.314 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.385 -2.796 4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.984 -2.273 7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.123 -3.495 7.817 1.00 0.00 H new ATOM 0 HE ARG A 67 8.995 -2.131 6.926 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.231 -0.471 7.911 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.595 1.025 7.045 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.261 -0.364 5.260 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.296 1.085 5.557 1.00 0.00 H new ATOM 861 N ILE A 68 5.809 -7.848 4.704 1.00 0.00 N ATOM 862 CA ILE A 68 4.991 -9.083 4.558 1.00 0.00 C ATOM 863 C ILE A 68 5.844 -10.300 4.912 1.00 0.00 C ATOM 864 O ILE A 68 5.384 -11.423 4.885 1.00 0.00 O ATOM 865 CB ILE A 68 4.586 -9.117 3.085 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.489 -8.077 2.832 1.00 0.00 C ATOM 867 CG2 ILE A 68 4.056 -10.505 2.725 1.00 0.00 C ATOM 868 CD1 ILE A 68 3.077 -8.116 1.361 1.00 0.00 C ATOM 0 H ILE A 68 6.304 -7.555 3.862 1.00 0.00 H new ATOM 0 HA ILE A 68 4.120 -9.094 5.213 1.00 0.00 H new ATOM 0 HB ILE A 68 5.457 -8.891 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.627 -8.281 3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.850 -7.082 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.769 -10.523 1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.833 -11.248 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.187 -10.734 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.297 -7.376 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.941 -7.891 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.699 -9.108 1.115 1.00 0.00 H new ATOM 880 N HIS A 69 7.088 -10.082 5.243 1.00 0.00 N ATOM 881 CA HIS A 69 7.976 -11.220 5.600 1.00 0.00 C ATOM 882 C HIS A 69 8.016 -12.237 4.465 1.00 0.00 C ATOM 883 O HIS A 69 8.186 -13.420 4.684 1.00 0.00 O ATOM 884 CB HIS A 69 7.359 -11.833 6.858 1.00 0.00 C ATOM 885 CG HIS A 69 8.247 -12.935 7.366 1.00 0.00 C ATOM 886 ND1 HIS A 69 9.628 -12.826 7.381 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.964 -14.177 7.880 1.00 0.00 C ATOM 888 CE1 HIS A 69 10.120 -13.970 7.889 1.00 0.00 C ATOM 889 NE2 HIS A 69 9.150 -14.828 8.210 1.00 0.00 N ATOM 0 H HIS A 69 7.527 -9.162 5.281 1.00 0.00 H new ATOM 0 HA HIS A 69 9.004 -10.901 5.771 1.00 0.00 H new ATOM 0 HB2 HIS A 69 7.235 -11.068 7.625 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.366 -12.225 6.635 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.973 -14.586 8.009 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.173 -14.170 8.021 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.255 -15.760 8.611 1.00 0.00 H new ATOM 897 N LEU A 70 7.876 -11.787 3.251 1.00 0.00 N ATOM 898 CA LEU A 70 7.925 -12.741 2.109 1.00 0.00 C ATOM 899 C LEU A 70 9.331 -12.760 1.503 1.00 0.00 C ATOM 900 O LEU A 70 10.075 -11.805 1.599 1.00 0.00 O ATOM 901 CB LEU A 70 6.874 -12.264 1.093 1.00 0.00 C ATOM 902 CG LEU A 70 6.935 -10.743 0.871 1.00 0.00 C ATOM 903 CD1 LEU A 70 8.347 -10.321 0.462 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.962 -10.368 -0.251 1.00 0.00 C ATOM 0 H LEU A 70 7.731 -10.809 3.000 1.00 0.00 H new ATOM 0 HA LEU A 70 7.706 -13.761 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.030 -12.775 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.879 -12.539 1.444 1.00 0.00 H new ATOM 0 HG LEU A 70 6.666 -10.236 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.374 -9.242 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.050 -10.593 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.624 -10.826 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.996 -9.291 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.246 -10.886 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.950 -10.659 0.032 1.00 0.00 H new ATOM 916 N ARG A 71 9.713 -13.852 0.899 1.00 0.00 N ATOM 917 CA ARG A 71 11.083 -13.932 0.311 1.00 0.00 C ATOM 918 C ARG A 71 11.210 -15.147 -0.614 1.00 0.00 C ATOM 919 O ARG A 71 10.238 -15.794 -0.945 1.00 0.00 O ATOM 920 CB ARG A 71 12.013 -14.072 1.520 1.00 0.00 C ATOM 921 CG ARG A 71 11.948 -15.505 2.065 1.00 0.00 C ATOM 922 CD ARG A 71 13.105 -15.736 3.041 1.00 0.00 C ATOM 923 NE ARG A 71 13.023 -14.611 4.015 1.00 0.00 N ATOM 924 CZ ARG A 71 13.163 -14.841 5.292 1.00 0.00 C ATOM 925 NH1 ARG A 71 12.208 -15.432 5.957 1.00 0.00 N ATOM 926 NH2 ARG A 71 14.258 -14.479 5.904 1.00 0.00 N ATOM 0 H ARG A 71 9.140 -14.689 0.787 1.00 0.00 H new ATOM 0 HA ARG A 71 11.322 -13.060 -0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.036 -13.829 1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.723 -13.365 2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.996 -15.671 2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.003 -16.220 1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.011 -16.699 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.064 -15.739 2.522 1.00 0.00 H new ATOM 0 HE ARG A 71 12.857 -13.661 3.683 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.352 -15.714 5.479 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.317 -15.612 6.955 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.004 -14.017 5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.368 -14.659 6.902 1.00 0.00 H new ATOM 938 N ALA A 72 12.411 -15.469 -1.017 1.00 0.00 N ATOM 939 CA ALA A 72 12.619 -16.650 -1.904 1.00 0.00 C ATOM 940 C ALA A 72 11.733 -16.560 -3.147 1.00 0.00 C ATOM 941 O ALA A 72 12.140 -16.058 -4.176 1.00 0.00 O ATOM 942 CB ALA A 72 12.226 -17.856 -1.051 1.00 0.00 C ATOM 0 H ALA A 72 13.260 -14.962 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 72 13.647 -16.715 -2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.351 -18.769 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.862 -17.899 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.184 -17.761 -0.744 1.00 0.00 H new ATOM 948 N GLU A 73 10.528 -17.052 -3.065 1.00 0.00 N ATOM 949 CA GLU A 73 9.626 -17.001 -4.252 1.00 0.00 C ATOM 950 C GLU A 73 8.159 -17.006 -3.816 1.00 0.00 C ATOM 951 O GLU A 73 7.304 -17.542 -4.492 1.00 0.00 O ATOM 952 CB GLU A 73 9.947 -18.268 -5.048 1.00 0.00 C ATOM 953 CG GLU A 73 11.442 -18.309 -5.369 1.00 0.00 C ATOM 954 CD GLU A 73 11.722 -19.449 -6.352 1.00 0.00 C ATOM 955 OE1 GLU A 73 11.873 -20.571 -5.899 1.00 0.00 O ATOM 956 OE2 GLU A 73 11.781 -19.178 -7.540 1.00 0.00 O ATOM 0 H GLU A 73 10.129 -17.485 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 73 9.777 -16.095 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.664 -19.151 -4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.366 -18.287 -5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.759 -17.358 -5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.017 -18.453 -4.455 1.00 0.00 H new ATOM 963 N ASP A 74 7.857 -16.412 -2.695 1.00 0.00 N ATOM 964 CA ASP A 74 6.442 -16.385 -2.232 1.00 0.00 C ATOM 965 C ASP A 74 5.579 -15.647 -3.245 1.00 0.00 C ATOM 966 O ASP A 74 6.050 -15.124 -4.236 1.00 0.00 O ATOM 967 CB ASP A 74 6.476 -15.661 -0.876 1.00 0.00 C ATOM 968 CG ASP A 74 5.237 -14.781 -0.672 1.00 0.00 C ATOM 969 OD1 ASP A 74 5.261 -13.646 -1.118 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.288 -15.259 -0.074 1.00 0.00 O ATOM 0 H ASP A 74 8.526 -15.946 -2.082 1.00 0.00 H new ATOM 0 HA ASP A 74 6.011 -17.381 -2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.537 -16.395 -0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.374 -15.046 -0.814 1.00 0.00 H new ATOM 975 N ALA A 75 4.318 -15.606 -2.985 1.00 0.00 N ATOM 976 CA ALA A 75 3.379 -14.906 -3.906 1.00 0.00 C ATOM 977 C ALA A 75 2.939 -13.575 -3.298 1.00 0.00 C ATOM 978 O ALA A 75 2.698 -13.472 -2.111 1.00 0.00 O ATOM 979 CB ALA A 75 2.185 -15.848 -4.053 1.00 0.00 C ATOM 0 H ALA A 75 3.882 -16.030 -2.166 1.00 0.00 H new ATOM 0 HA ALA A 75 3.839 -14.681 -4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.448 -15.400 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.520 -16.798 -4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.734 -16.019 -3.076 1.00 0.00 H new ATOM 985 N LEU A 76 2.830 -12.553 -4.100 1.00 0.00 N ATOM 986 CA LEU A 76 2.402 -11.231 -3.564 1.00 0.00 C ATOM 987 C LEU A 76 1.646 -10.442 -4.630 1.00 0.00 C ATOM 988 O LEU A 76 1.854 -10.612 -5.815 1.00 0.00 O ATOM 989 CB LEU A 76 3.693 -10.508 -3.189 1.00 0.00 C ATOM 990 CG LEU A 76 3.387 -9.045 -2.864 1.00 0.00 C ATOM 991 CD1 LEU A 76 2.727 -8.953 -1.487 1.00 0.00 C ATOM 992 CD2 LEU A 76 4.690 -8.242 -2.858 1.00 0.00 C ATOM 0 H LEU A 76 3.018 -12.576 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 76 1.732 -11.339 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.156 -10.993 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.406 -10.567 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 76 2.712 -8.640 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.510 -7.910 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.799 -9.525 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.401 -9.358 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.474 -7.199 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.364 -8.649 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.161 -8.306 -3.839 1.00 0.00 H new ATOM 1004 N PHE A 77 0.774 -9.575 -4.205 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.012 -8.754 -5.167 1.00 0.00 C ATOM 1006 C PHE A 77 -0.603 -7.540 -4.445 1.00 0.00 C ATOM 1007 O PHE A 77 -1.356 -7.677 -3.502 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.135 -9.672 -5.648 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.581 -10.724 -6.581 1.00 0.00 C ATOM 1010 CD1 PHE A 77 -0.366 -10.423 -7.931 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.286 -12.003 -6.093 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.144 -11.400 -8.793 1.00 0.00 C ATOM 1013 CE2 PHE A 77 0.224 -12.981 -6.956 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.439 -12.679 -8.305 1.00 0.00 C ATOM 0 H PHE A 77 0.569 -9.397 -3.222 1.00 0.00 H new ATOM 0 HA PHE A 77 0.597 -8.385 -5.992 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.616 -10.149 -4.794 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.900 -9.087 -6.159 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.594 -9.437 -8.307 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.452 -12.235 -5.051 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.310 -11.168 -9.835 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.451 -13.968 -6.580 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.833 -13.433 -8.971 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.275 -6.355 -4.877 1.00 0.00 N ATOM 1025 CA PHE A 78 -0.830 -5.145 -4.206 1.00 0.00 C ATOM 1026 C PHE A 78 -2.107 -4.687 -4.918 1.00 0.00 C ATOM 1027 O PHE A 78 -2.107 -4.422 -6.104 1.00 0.00 O ATOM 1028 CB PHE A 78 0.262 -4.082 -4.323 1.00 0.00 C ATOM 1029 CG PHE A 78 1.408 -4.427 -3.400 1.00 0.00 C ATOM 1030 CD1 PHE A 78 1.260 -4.294 -2.013 1.00 0.00 C ATOM 1031 CD2 PHE A 78 2.621 -4.877 -3.931 1.00 0.00 C ATOM 1032 CE1 PHE A 78 2.328 -4.611 -1.163 1.00 0.00 C ATOM 1033 CE2 PHE A 78 3.684 -5.194 -3.079 1.00 0.00 C ATOM 1034 CZ PHE A 78 3.539 -5.060 -1.699 1.00 0.00 C ATOM 0 H PHE A 78 0.350 -6.171 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.096 -5.337 -3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.616 -4.022 -5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.142 -3.102 -4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.324 -3.948 -1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.737 -4.980 -5.000 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.216 -4.509 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.619 -5.543 -3.491 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.362 -5.303 -1.044 1.00 0.00 H new ATOM 1044 N PHE A 79 -3.194 -4.594 -4.202 1.00 0.00 N ATOM 1045 CA PHE A 79 -4.471 -4.153 -4.832 1.00 0.00 C ATOM 1046 C PHE A 79 -4.897 -2.801 -4.259 1.00 0.00 C ATOM 1047 O PHE A 79 -4.912 -2.600 -3.061 1.00 0.00 O ATOM 1048 CB PHE A 79 -5.496 -5.222 -4.460 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.024 -6.582 -4.918 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -4.144 -7.334 -4.125 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -5.477 -7.099 -6.139 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -3.721 -8.598 -4.554 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -5.052 -8.361 -6.568 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.175 -9.111 -5.776 1.00 0.00 C ATOM 0 H PHE A 79 -3.253 -4.805 -3.206 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.374 -4.037 -5.912 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.651 -5.227 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.457 -4.989 -4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.793 -6.938 -3.184 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.155 -6.522 -6.750 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.045 -9.177 -3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.401 -8.757 -7.511 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.848 -10.086 -6.107 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.248 -1.877 -5.104 1.00 0.00 N ATOM 1065 CA VAL A 80 -5.680 -0.538 -4.606 1.00 0.00 C ATOM 1066 C VAL A 80 -7.105 -0.235 -5.076 1.00 0.00 C ATOM 1067 O VAL A 80 -7.356 -0.063 -6.253 1.00 0.00 O ATOM 1068 CB VAL A 80 -4.690 0.462 -5.209 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -4.720 1.755 -4.392 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.276 -0.123 -5.175 1.00 0.00 C ATOM 0 H VAL A 80 -5.256 -1.987 -6.118 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.686 -0.490 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.970 0.669 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.016 2.471 -4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.725 2.177 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.440 1.540 -3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.576 0.593 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.993 -0.332 -4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.251 -1.047 -5.752 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.039 -0.167 -4.169 1.00 0.00 N ATOM 1081 CA ASN A 81 -9.446 0.127 -4.568 1.00 0.00 C ATOM 1082 C ASN A 81 -9.954 -0.937 -5.546 1.00 0.00 C ATOM 1083 O ASN A 81 -10.467 -0.628 -6.603 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.389 1.495 -5.246 1.00 0.00 C ATOM 1085 CG ASN A 81 -10.756 2.173 -5.143 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -11.528 2.157 -6.082 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -11.093 2.771 -4.034 1.00 0.00 N ATOM 0 H ASN A 81 -7.890 -0.302 -3.169 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.125 0.123 -3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.627 2.115 -4.774 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.105 1.383 -6.292 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.003 3.224 -3.955 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.446 2.785 -3.245 1.00 0.00 H new ATOM 1094 N ASN A 82 -9.816 -2.187 -5.199 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.292 -3.273 -6.105 1.00 0.00 C ATOM 1096 C ASN A 82 -9.635 -3.148 -7.483 1.00 0.00 C ATOM 1097 O ASN A 82 -10.214 -3.503 -8.490 1.00 0.00 O ATOM 1098 CB ASN A 82 -11.803 -3.067 -6.211 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.488 -3.661 -4.979 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -11.843 -3.948 -3.990 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -13.778 -3.859 -4.996 1.00 0.00 N ATOM 0 H ASN A 82 -9.394 -2.505 -4.326 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.040 -4.263 -5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.031 -2.004 -6.290 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.183 -3.542 -7.116 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.244 -4.254 -4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.320 -3.618 -5.826 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.429 -2.650 -7.536 1.00 0.00 N ATOM 1109 CA VAL A 83 -7.741 -2.509 -8.853 1.00 0.00 C ATOM 1110 C VAL A 83 -6.330 -3.099 -8.770 1.00 0.00 C ATOM 1111 O VAL A 83 -5.825 -3.369 -7.699 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.676 -1.002 -9.124 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.467 -0.759 -10.619 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -8.983 -0.337 -8.684 1.00 0.00 C ATOM 0 H VAL A 83 -7.892 -2.336 -6.728 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.267 -3.036 -9.649 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.845 -0.575 -8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.421 0.313 -10.810 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.534 -1.225 -10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.297 -1.192 -11.178 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.930 0.734 -8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.815 -0.767 -9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.135 -0.504 -7.618 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.690 -3.286 -9.895 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.312 -3.860 -9.901 1.00 0.00 C ATOM 1126 C ILE A 84 -3.578 -3.413 -11.169 1.00 0.00 C ATOM 1127 O ILE A 84 -3.293 -4.214 -12.037 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.487 -5.386 -9.947 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.669 -5.840 -9.082 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.211 -6.057 -9.436 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -6.982 -5.612 -9.836 1.00 0.00 C ATOM 0 H ILE A 84 -6.066 -3.064 -10.817 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.743 -3.537 -9.030 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.684 -5.673 -10.980 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.563 -6.895 -8.830 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.678 -5.287 -8.143 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.332 -7.140 -9.467 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.370 -5.767 -10.066 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.021 -5.743 -8.410 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.818 -5.936 -9.217 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.090 -4.552 -10.066 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.973 -6.185 -10.763 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.302 -2.140 -11.231 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.598 -1.569 -12.404 1.00 0.00 C ATOM 1145 C PRO A 85 -1.117 -1.960 -12.390 1.00 0.00 C ATOM 1146 O PRO A 85 -0.623 -2.493 -11.417 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.762 -0.063 -12.221 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.964 0.129 -10.751 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.617 -1.123 -10.224 1.00 0.00 C ATOM 0 HA PRO A 85 -2.995 -1.927 -13.354 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.882 0.475 -12.572 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.613 0.313 -12.789 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.011 0.306 -10.252 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.591 1.000 -10.559 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.224 -1.396 -9.245 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.693 -0.994 -10.111 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.459 -1.675 -13.481 1.00 0.00 N ATOM 1158 CA PRO A 86 0.984 -1.992 -13.613 1.00 0.00 C ATOM 1159 C PRO A 86 1.818 -1.053 -12.742 1.00 0.00 C ATOM 1160 O PRO A 86 1.296 -0.203 -12.047 1.00 0.00 O ATOM 1161 CB PRO A 86 1.267 -1.759 -15.095 1.00 0.00 C ATOM 1162 CG PRO A 86 0.220 -0.788 -15.540 1.00 0.00 C ATOM 1163 CD PRO A 86 -0.997 -1.034 -14.687 1.00 0.00 C ATOM 0 HA PRO A 86 1.233 -3.003 -13.291 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.269 -1.357 -15.247 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.208 -2.690 -15.659 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.571 0.238 -15.425 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.013 -0.929 -16.595 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.513 -0.104 -14.449 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.717 -1.677 -15.194 1.00 0.00 H new ATOM 1171 N THR A 87 3.113 -1.203 -12.773 1.00 0.00 N ATOM 1172 CA THR A 87 3.985 -0.318 -11.944 1.00 0.00 C ATOM 1173 C THR A 87 4.329 0.966 -12.702 1.00 0.00 C ATOM 1174 O THR A 87 5.335 1.600 -12.451 1.00 0.00 O ATOM 1175 CB THR A 87 5.256 -1.121 -11.677 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.463 -2.059 -12.724 1.00 0.00 O ATOM 1177 CG2 THR A 87 5.130 -1.858 -10.343 1.00 0.00 C ATOM 0 H THR A 87 3.606 -1.897 -13.334 1.00 0.00 H new ATOM 0 HA THR A 87 3.486 -0.023 -11.021 1.00 0.00 H new ATOM 0 HB THR A 87 6.106 -0.440 -11.633 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.032 -2.908 -12.493 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.039 -2.430 -10.156 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.985 -1.135 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.277 -2.535 -10.381 1.00 0.00 H new ATOM 1185 N SER A 88 3.497 1.353 -13.620 1.00 0.00 N ATOM 1186 CA SER A 88 3.759 2.597 -14.400 1.00 0.00 C ATOM 1187 C SER A 88 2.978 3.764 -13.791 1.00 0.00 C ATOM 1188 O SER A 88 2.399 4.571 -14.490 1.00 0.00 O ATOM 1189 CB SER A 88 3.259 2.294 -15.812 1.00 0.00 C ATOM 1190 OG SER A 88 4.113 2.924 -16.757 1.00 0.00 O ATOM 0 H SER A 88 2.639 0.861 -13.869 1.00 0.00 H new ATOM 0 HA SER A 88 4.812 2.878 -14.397 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.242 1.217 -15.981 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.237 2.652 -15.933 1.00 0.00 H new ATOM 0 HG SER A 88 3.796 2.731 -17.664 1.00 0.00 H new ATOM 1196 N ALA A 89 2.955 3.851 -12.490 1.00 0.00 N ATOM 1197 CA ALA A 89 2.207 4.957 -11.825 1.00 0.00 C ATOM 1198 C ALA A 89 2.926 5.398 -10.553 1.00 0.00 C ATOM 1199 O ALA A 89 4.002 4.931 -10.235 1.00 0.00 O ATOM 1200 CB ALA A 89 0.841 4.359 -11.487 1.00 0.00 C ATOM 0 H ALA A 89 3.423 3.203 -11.856 1.00 0.00 H new ATOM 0 HA ALA A 89 2.124 5.838 -12.461 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.227 5.112 -10.993 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.349 4.034 -12.404 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.972 3.505 -10.823 1.00 0.00 H new ATOM 1206 N THR A 90 2.332 6.297 -9.827 1.00 0.00 N ATOM 1207 CA THR A 90 2.967 6.786 -8.569 1.00 0.00 C ATOM 1208 C THR A 90 1.910 6.950 -7.475 1.00 0.00 C ATOM 1209 O THR A 90 0.808 7.402 -7.721 1.00 0.00 O ATOM 1210 CB THR A 90 3.577 8.141 -8.934 1.00 0.00 C ATOM 1211 OG1 THR A 90 2.542 9.036 -9.316 1.00 0.00 O ATOM 1212 CG2 THR A 90 4.557 7.966 -10.094 1.00 0.00 C ATOM 0 H THR A 90 1.430 6.719 -10.048 1.00 0.00 H new ATOM 0 HA THR A 90 3.716 6.092 -8.186 1.00 0.00 H new ATOM 0 HB THR A 90 4.108 8.545 -8.072 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.930 9.905 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.991 8.932 -10.353 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.351 7.279 -9.799 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.030 7.562 -10.958 1.00 0.00 H new ATOM 1220 N MET A 91 2.233 6.580 -6.268 1.00 0.00 N ATOM 1221 CA MET A 91 1.239 6.706 -5.163 1.00 0.00 C ATOM 1222 C MET A 91 0.624 8.107 -5.164 1.00 0.00 C ATOM 1223 O MET A 91 -0.553 8.281 -4.917 1.00 0.00 O ATOM 1224 CB MET A 91 2.026 6.468 -3.872 1.00 0.00 C ATOM 1225 CG MET A 91 2.423 4.993 -3.777 1.00 0.00 C ATOM 1226 SD MET A 91 1.182 4.096 -2.809 1.00 0.00 S ATOM 1227 CE MET A 91 1.239 2.548 -3.745 1.00 0.00 C ATOM 0 H MET A 91 3.139 6.197 -5.998 1.00 0.00 H new ATOM 0 HA MET A 91 0.420 5.995 -5.270 1.00 0.00 H new ATOM 0 HB2 MET A 91 2.916 7.096 -3.856 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.422 6.749 -3.009 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.503 4.562 -4.775 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.403 4.898 -3.309 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.816 1.743 -3.143 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.662 2.657 -4.663 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.274 2.311 -3.993 1.00 0.00 H new ATOM 1237 N GLY A 92 1.415 9.108 -5.435 1.00 0.00 N ATOM 1238 CA GLY A 92 0.879 10.497 -5.447 1.00 0.00 C ATOM 1239 C GLY A 92 -0.350 10.573 -6.348 1.00 0.00 C ATOM 1240 O GLY A 92 -1.378 11.098 -5.969 1.00 0.00 O ATOM 0 H GLY A 92 2.409 9.024 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.617 10.804 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.644 11.188 -5.802 1.00 0.00 H new ATOM 1244 N GLN A 93 -0.255 10.056 -7.538 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.425 10.106 -8.458 1.00 0.00 C ATOM 1246 C GLN A 93 -2.572 9.272 -7.878 1.00 0.00 C ATOM 1247 O GLN A 93 -3.732 9.552 -8.106 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.915 9.536 -9.795 1.00 0.00 C ATOM 1249 CG GLN A 93 -1.235 8.039 -9.910 1.00 0.00 C ATOM 1250 CD GLN A 93 -0.792 7.525 -11.281 1.00 0.00 C ATOM 1251 OE1 GLN A 93 0.366 7.625 -11.634 1.00 0.00 O ATOM 1252 NE2 GLN A 93 -1.670 6.975 -12.072 1.00 0.00 N ATOM 0 H GLN A 93 0.578 9.602 -7.914 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.816 11.114 -8.594 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.375 10.075 -10.624 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.161 9.689 -9.873 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.726 7.486 -9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.304 7.874 -9.776 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.642 6.891 -11.775 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.385 6.628 -12.988 1.00 0.00 H new ATOM 1261 N LEU A 94 -2.256 8.253 -7.125 1.00 0.00 N ATOM 1262 CA LEU A 94 -3.333 7.415 -6.531 1.00 0.00 C ATOM 1263 C LEU A 94 -4.097 8.218 -5.477 1.00 0.00 C ATOM 1264 O LEU A 94 -5.237 7.938 -5.176 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.605 6.211 -5.915 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.524 6.327 -4.386 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.800 5.764 -3.763 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.321 5.531 -3.882 1.00 0.00 C ATOM 0 H LEU A 94 -1.304 7.967 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.073 7.093 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.126 5.292 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.599 6.141 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.415 7.375 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.742 5.847 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.660 6.327 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.909 4.716 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.260 5.611 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.434 4.484 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.409 5.929 -4.327 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.477 9.205 -4.903 1.00 0.00 N ATOM 1281 CA TYR A 95 -4.183 9.998 -3.867 1.00 0.00 C ATOM 1282 C TYR A 95 -5.558 10.425 -4.389 1.00 0.00 C ATOM 1283 O TYR A 95 -6.569 10.138 -3.790 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.289 11.213 -3.608 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.328 11.548 -2.141 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -3.074 10.550 -1.197 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.625 12.851 -1.724 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -3.116 10.852 0.170 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.667 13.155 -0.358 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.412 12.156 0.589 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.455 12.455 1.936 1.00 0.00 O ATOM 0 H TYR A 95 -2.520 9.495 -5.104 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.354 9.432 -2.951 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.266 11.000 -3.918 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.631 12.064 -4.197 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.845 9.546 -1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.822 13.621 -2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.920 10.081 0.900 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.896 14.160 -0.035 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.316 12.170 2.307 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.612 11.096 -5.501 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.936 11.522 -6.040 1.00 0.00 C ATOM 1303 C GLN A 96 -7.744 10.314 -6.541 1.00 0.00 C ATOM 1304 O GLN A 96 -8.936 10.403 -6.755 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.604 12.460 -7.200 1.00 0.00 C ATOM 1306 CG GLN A 96 -7.665 13.560 -7.288 1.00 0.00 C ATOM 1307 CD GLN A 96 -7.010 14.867 -7.740 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -6.477 14.949 -8.829 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -7.028 15.901 -6.944 1.00 0.00 N ATOM 0 H GLN A 96 -4.804 11.369 -6.060 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.547 12.005 -5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.618 12.902 -7.054 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.567 11.900 -8.135 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.446 13.271 -7.991 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.143 13.697 -6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.475 15.833 -6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.595 16.777 -7.236 1.00 0.00 H new ATOM 1318 N GLU A 97 -7.098 9.202 -6.769 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.827 8.009 -7.303 1.00 0.00 C ATOM 1320 C GLU A 97 -8.426 7.114 -6.201 1.00 0.00 C ATOM 1321 O GLU A 97 -9.629 6.985 -6.090 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.773 7.239 -8.101 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.814 7.685 -9.564 1.00 0.00 C ATOM 1324 CD GLU A 97 -6.952 6.459 -10.468 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -7.577 5.502 -10.044 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -6.428 6.498 -11.569 1.00 0.00 O ATOM 0 H GLU A 97 -6.100 9.066 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.683 8.321 -7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.782 7.418 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.960 6.167 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.651 8.364 -9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.906 8.234 -9.814 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.607 6.445 -5.428 1.00 0.00 N ATOM 1334 CA HIS A 98 -8.139 5.512 -4.398 1.00 0.00 C ATOM 1335 C HIS A 98 -8.145 6.122 -2.991 1.00 0.00 C ATOM 1336 O HIS A 98 -7.849 5.454 -2.016 1.00 0.00 O ATOM 1337 CB HIS A 98 -7.174 4.337 -4.468 1.00 0.00 C ATOM 1338 CG HIS A 98 -7.275 3.694 -5.821 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -8.463 3.643 -6.533 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -6.340 3.075 -6.602 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -8.209 3.010 -7.694 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -6.929 2.641 -7.787 1.00 0.00 N ATOM 0 H HIS A 98 -6.590 6.508 -5.469 1.00 0.00 H new ATOM 0 HA HIS A 98 -9.179 5.246 -4.587 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.154 4.678 -4.289 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.409 3.612 -3.689 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -5.301 2.942 -6.340 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -8.950 2.823 -8.457 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -6.480 2.148 -8.559 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.503 7.368 -2.868 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.555 7.990 -1.507 1.00 0.00 C ATOM 1352 C HIS A 99 -9.813 7.530 -0.781 1.00 0.00 C ATOM 1353 O HIS A 99 -9.913 7.598 0.427 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.602 9.496 -1.747 1.00 0.00 C ATOM 1355 CG HIS A 99 -9.706 9.843 -2.697 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -11.038 9.561 -2.443 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -9.677 10.468 -3.906 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -11.752 10.013 -3.490 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -10.969 10.578 -4.414 1.00 0.00 N ATOM 0 H HIS A 99 -8.761 7.982 -3.640 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.699 7.709 -0.893 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.752 10.016 -0.801 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.648 9.836 -2.150 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.785 10.825 -4.398 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -12.826 9.930 -3.573 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -11.255 10.998 -5.298 1.00 0.00 H new ATOM 1367 N GLU A 100 -10.772 7.067 -1.529 1.00 0.00 N ATOM 1368 CA GLU A 100 -12.060 6.587 -0.928 1.00 0.00 C ATOM 1369 C GLU A 100 -12.923 7.778 -0.496 1.00 0.00 C ATOM 1370 O GLU A 100 -13.884 8.128 -1.153 1.00 0.00 O ATOM 1371 CB GLU A 100 -11.662 5.743 0.286 1.00 0.00 C ATOM 1372 CG GLU A 100 -12.364 4.385 0.216 1.00 0.00 C ATOM 1373 CD GLU A 100 -13.777 4.511 0.788 1.00 0.00 C ATOM 1374 OE1 GLU A 100 -14.101 5.576 1.287 1.00 0.00 O ATOM 1375 OE2 GLU A 100 -14.511 3.539 0.717 1.00 0.00 O ATOM 0 H GLU A 100 -10.724 6.997 -2.545 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.648 6.009 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.581 5.605 0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.936 6.259 1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.408 4.039 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.798 3.642 0.777 1.00 0.00 H new ATOM 1382 N GLU A 101 -12.593 8.403 0.602 1.00 0.00 N ATOM 1383 CA GLU A 101 -13.403 9.566 1.065 1.00 0.00 C ATOM 1384 C GLU A 101 -12.668 10.878 0.770 1.00 0.00 C ATOM 1385 O GLU A 101 -12.798 11.444 -0.296 1.00 0.00 O ATOM 1386 CB GLU A 101 -13.564 9.362 2.573 1.00 0.00 C ATOM 1387 CG GLU A 101 -14.796 8.496 2.841 1.00 0.00 C ATOM 1388 CD GLU A 101 -14.485 7.498 3.958 1.00 0.00 C ATOM 1389 OE1 GLU A 101 -13.660 6.628 3.734 1.00 0.00 O ATOM 1390 OE2 GLU A 101 -15.077 7.622 5.017 1.00 0.00 O ATOM 0 H GLU A 101 -11.801 8.160 1.196 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.366 9.626 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.674 8.884 2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.668 10.325 3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.640 9.124 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.085 7.965 1.934 1.00 0.00 H new ATOM 1397 N ASP A 102 -11.898 11.365 1.706 1.00 0.00 N ATOM 1398 CA ASP A 102 -11.160 12.641 1.470 1.00 0.00 C ATOM 1399 C ASP A 102 -10.144 12.881 2.590 1.00 0.00 C ATOM 1400 O ASP A 102 -10.100 13.941 3.184 1.00 0.00 O ATOM 1401 CB ASP A 102 -12.235 13.727 1.478 1.00 0.00 C ATOM 1402 CG ASP A 102 -11.663 15.017 0.887 1.00 0.00 C ATOM 1403 OD1 ASP A 102 -10.652 15.478 1.391 1.00 0.00 O ATOM 1404 OD2 ASP A 102 -12.244 15.520 -0.061 1.00 0.00 O ATOM 0 H ASP A 102 -11.748 10.937 2.620 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.601 12.628 0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.100 13.402 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -12.581 13.903 2.496 1.00 0.00 H new ATOM 1409 N PHE A 103 -9.326 11.907 2.882 1.00 0.00 N ATOM 1410 CA PHE A 103 -8.311 12.083 3.962 1.00 0.00 C ATOM 1411 C PHE A 103 -7.090 11.203 3.684 1.00 0.00 C ATOM 1412 O PHE A 103 -6.016 11.688 3.388 1.00 0.00 O ATOM 1413 CB PHE A 103 -9.009 11.636 5.249 1.00 0.00 C ATOM 1414 CG PHE A 103 -10.393 12.238 5.311 1.00 0.00 C ATOM 1415 CD1 PHE A 103 -10.580 13.502 5.884 1.00 0.00 C ATOM 1416 CD2 PHE A 103 -11.487 11.534 4.794 1.00 0.00 C ATOM 1417 CE1 PHE A 103 -11.862 14.061 5.941 1.00 0.00 C ATOM 1418 CE2 PHE A 103 -12.769 12.094 4.851 1.00 0.00 C ATOM 1419 CZ PHE A 103 -12.956 13.357 5.425 1.00 0.00 C ATOM 0 H PHE A 103 -9.316 10.997 2.421 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.958 13.112 4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -9.073 10.548 5.281 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -8.427 11.947 6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -9.736 14.045 6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -11.342 10.560 4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -12.007 15.036 6.383 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -13.613 11.552 4.452 1.00 0.00 H new ATOM 0 HZ PHE A 103 -13.945 13.788 5.470 1.00 0.00 H new ATOM 1429 N PHE A 104 -7.247 9.912 3.776 1.00 0.00 N ATOM 1430 CA PHE A 104 -6.098 8.996 3.516 1.00 0.00 C ATOM 1431 C PHE A 104 -6.433 8.061 2.350 1.00 0.00 C ATOM 1432 O PHE A 104 -7.550 8.030 1.873 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.919 8.196 4.810 1.00 0.00 C ATOM 1434 CG PHE A 104 -6.080 9.109 6.004 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -7.361 9.430 6.472 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -4.951 9.633 6.644 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -7.512 10.273 7.578 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -5.102 10.477 7.750 1.00 0.00 C ATOM 1439 CZ PHE A 104 -6.382 10.798 8.217 1.00 0.00 C ATOM 0 H PHE A 104 -8.123 9.449 4.020 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.190 9.536 3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.653 7.391 4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.934 7.731 4.827 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.233 9.026 5.978 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.963 9.386 6.284 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.500 10.519 7.939 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.230 10.881 8.244 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.498 11.450 9.070 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.482 7.294 1.890 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.771 6.362 0.758 1.00 0.00 C ATOM 1451 C LEU A 105 -5.775 4.913 1.271 1.00 0.00 C ATOM 1452 O LEU A 105 -5.333 4.639 2.368 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.654 6.625 -0.272 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.578 5.537 -0.212 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -3.955 4.405 -1.164 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.230 6.128 -0.632 1.00 0.00 C ATOM 0 H LEU A 105 -4.526 7.270 2.244 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.750 6.521 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.081 6.663 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.202 7.598 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.503 5.152 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.192 3.628 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.916 3.985 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.026 4.793 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.464 5.354 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.302 6.511 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.963 6.940 0.044 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.289 3.985 0.504 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.328 2.573 0.992 1.00 0.00 C ATOM 1470 C TYR A 106 -5.587 1.613 0.049 1.00 0.00 C ATOM 1471 O TYR A 106 -5.832 1.580 -1.140 1.00 0.00 O ATOM 1472 CB TYR A 106 -7.813 2.220 1.040 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.451 2.887 2.234 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.280 2.346 3.513 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -9.215 4.047 2.062 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -8.872 2.965 4.621 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -9.807 4.666 3.168 1.00 0.00 C ATOM 1478 CZ TYR A 106 -9.636 4.126 4.448 1.00 0.00 C ATOM 1479 OH TYR A 106 -10.220 4.737 5.539 1.00 0.00 O ATOM 0 H TYR A 106 -6.678 4.140 -0.426 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.834 2.479 1.959 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.305 2.545 0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.939 1.139 1.104 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.691 1.450 3.646 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.348 4.464 1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.739 2.547 5.608 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.396 5.561 3.034 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.714 5.531 5.244 1.00 0.00 H new ATOM 1489 N ILE A 107 -4.703 0.809 0.589 1.00 0.00 N ATOM 1490 CA ILE A 107 -3.962 -0.181 -0.250 1.00 0.00 C ATOM 1491 C ILE A 107 -3.802 -1.490 0.527 1.00 0.00 C ATOM 1492 O ILE A 107 -3.780 -1.499 1.742 1.00 0.00 O ATOM 1493 CB ILE A 107 -2.588 0.431 -0.522 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -2.735 1.920 -0.827 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -1.949 -0.273 -1.722 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.397 2.475 -1.320 1.00 0.00 C ATOM 0 H ILE A 107 -4.463 0.797 1.580 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.491 -0.397 -1.178 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.957 0.306 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.505 2.073 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.056 2.455 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.969 0.161 -1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -1.838 -1.335 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.584 -0.147 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.502 3.538 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.639 2.336 -0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.095 1.947 -2.225 1.00 0.00 H new ATOM 1508 N ALA A 108 -3.682 -2.594 -0.156 1.00 0.00 N ATOM 1509 CA ALA A 108 -3.515 -3.891 0.558 1.00 0.00 C ATOM 1510 C ALA A 108 -2.703 -4.862 -0.291 1.00 0.00 C ATOM 1511 O ALA A 108 -2.311 -4.554 -1.396 1.00 0.00 O ATOM 1512 CB ALA A 108 -4.935 -4.417 0.771 1.00 0.00 C ATOM 0 H ALA A 108 -3.692 -2.655 -1.174 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.981 -3.775 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.894 -5.373 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.502 -3.702 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -5.422 -4.551 -0.195 1.00 0.00 H new ATOM 1518 N TYR A 109 -2.445 -6.035 0.214 1.00 0.00 N ATOM 1519 CA TYR A 109 -1.658 -7.014 -0.585 1.00 0.00 C ATOM 1520 C TYR A 109 -2.104 -8.443 -0.295 1.00 0.00 C ATOM 1521 O TYR A 109 -2.781 -8.721 0.675 1.00 0.00 O ATOM 1522 CB TYR A 109 -0.199 -6.819 -0.175 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.092 -6.649 1.323 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -0.302 -5.394 1.903 1.00 0.00 C ATOM 1525 CD2 TYR A 109 0.229 -7.747 2.133 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.189 -5.236 3.288 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.340 -7.588 3.517 1.00 0.00 C ATOM 1528 CZ TYR A 109 0.132 -6.333 4.096 1.00 0.00 C ATOM 1529 OH TYR A 109 0.244 -6.175 5.462 1.00 0.00 O ATOM 0 H TYR A 109 -2.741 -6.356 1.136 1.00 0.00 H new ATOM 0 HA TYR A 109 -1.801 -6.851 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.393 -7.677 -0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.213 -5.944 -0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -0.551 -4.547 1.281 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.391 -8.717 1.687 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -0.350 -4.266 3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.587 -8.435 4.140 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.352 -5.456 5.758 1.00 0.00 H new ATOM 1539 N SER A 110 -1.716 -9.346 -1.144 1.00 0.00 N ATOM 1540 CA SER A 110 -2.091 -10.777 -0.956 1.00 0.00 C ATOM 1541 C SER A 110 -1.105 -11.674 -1.710 1.00 0.00 C ATOM 1542 O SER A 110 -0.293 -11.202 -2.481 1.00 0.00 O ATOM 1543 CB SER A 110 -3.494 -10.902 -1.548 1.00 0.00 C ATOM 1544 OG SER A 110 -4.339 -11.565 -0.615 1.00 0.00 O ATOM 0 H SER A 110 -1.149 -9.156 -1.970 1.00 0.00 H new ATOM 0 HA SER A 110 -2.067 -11.081 0.091 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.893 -9.915 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.458 -11.459 -2.484 1.00 0.00 H new ATOM 0 HG SER A 110 -5.087 -11.983 -1.091 1.00 0.00 H new ATOM 1550 N ASP A 111 -1.162 -12.960 -1.495 1.00 0.00 N ATOM 1551 CA ASP A 111 -0.218 -13.872 -2.203 1.00 0.00 C ATOM 1552 C ASP A 111 -0.987 -14.901 -3.038 1.00 0.00 C ATOM 1553 O ASP A 111 -0.460 -15.932 -3.404 1.00 0.00 O ATOM 1554 CB ASP A 111 0.574 -14.564 -1.092 1.00 0.00 C ATOM 1555 CG ASP A 111 -0.380 -15.351 -0.192 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -1.299 -15.955 -0.720 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -0.175 -15.337 1.010 1.00 0.00 O ATOM 0 H ASP A 111 -1.818 -13.418 -0.862 1.00 0.00 H new ATOM 0 HA ASP A 111 0.431 -13.333 -2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 111 1.317 -15.234 -1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 111 1.117 -13.824 -0.504 1.00 0.00 H new ATOM 1562 N GLU A 112 -2.227 -14.632 -3.341 1.00 0.00 N ATOM 1563 CA GLU A 112 -3.021 -15.605 -4.153 1.00 0.00 C ATOM 1564 C GLU A 112 -2.170 -16.142 -5.308 1.00 0.00 C ATOM 1565 O GLU A 112 -1.307 -15.461 -5.825 1.00 0.00 O ATOM 1566 CB GLU A 112 -4.218 -14.819 -4.699 1.00 0.00 C ATOM 1567 CG GLU A 112 -3.721 -13.620 -5.510 1.00 0.00 C ATOM 1568 CD GLU A 112 -3.635 -12.390 -4.607 1.00 0.00 C ATOM 1569 OE1 GLU A 112 -4.678 -11.880 -4.231 1.00 0.00 O ATOM 1570 OE2 GLU A 112 -2.528 -11.976 -4.306 1.00 0.00 O ATOM 0 H GLU A 112 -2.725 -13.786 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.342 -16.459 -3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.834 -15.464 -5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.847 -14.478 -3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -2.743 -13.838 -5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.397 -13.426 -6.343 1.00 0.00 H new ATOM 1577 N SER A 113 -2.409 -17.358 -5.719 1.00 0.00 N ATOM 1578 CA SER A 113 -1.613 -17.934 -6.842 1.00 0.00 C ATOM 1579 C SER A 113 -2.534 -18.663 -7.824 1.00 0.00 C ATOM 1580 O SER A 113 -2.174 -19.672 -8.395 1.00 0.00 O ATOM 1581 CB SER A 113 -0.650 -18.920 -6.181 1.00 0.00 C ATOM 1582 OG SER A 113 0.286 -18.203 -5.388 1.00 0.00 O ATOM 0 H SER A 113 -3.119 -17.977 -5.327 1.00 0.00 H new ATOM 0 HA SER A 113 -1.086 -17.167 -7.409 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.203 -19.626 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.129 -19.502 -6.941 1.00 0.00 H new ATOM 0 HG SER A 113 0.904 -18.833 -4.962 1.00 0.00 H new ATOM 1588 N VAL A 114 -3.720 -18.158 -8.028 1.00 0.00 N ATOM 1589 CA VAL A 114 -4.660 -18.823 -8.974 1.00 0.00 C ATOM 1590 C VAL A 114 -4.203 -18.598 -10.420 1.00 0.00 C ATOM 1591 O VAL A 114 -3.426 -17.708 -10.703 1.00 0.00 O ATOM 1592 CB VAL A 114 -6.016 -18.158 -8.718 1.00 0.00 C ATOM 1593 CG1 VAL A 114 -6.065 -16.792 -9.408 1.00 0.00 C ATOM 1594 CG2 VAL A 114 -7.133 -19.047 -9.271 1.00 0.00 C ATOM 0 H VAL A 114 -4.078 -17.314 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 114 -4.706 -19.902 -8.826 1.00 0.00 H new ATOM 0 HB VAL A 114 -6.151 -18.024 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -7.032 -16.325 -9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.273 -16.156 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -5.925 -16.921 -10.481 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -8.098 -18.574 -9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -6.992 -19.184 -10.343 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -7.105 -20.017 -8.775 1.00 0.00 H new ATOM 1604 N TYR A 115 -4.677 -19.397 -11.336 1.00 0.00 N ATOM 1605 CA TYR A 115 -4.267 -19.226 -12.760 1.00 0.00 C ATOM 1606 C TYR A 115 -5.022 -18.054 -13.390 1.00 0.00 C ATOM 1607 O TYR A 115 -5.883 -17.454 -12.776 1.00 0.00 O ATOM 1608 CB TYR A 115 -4.645 -20.539 -13.444 1.00 0.00 C ATOM 1609 CG TYR A 115 -4.102 -20.549 -14.853 1.00 0.00 C ATOM 1610 CD1 TYR A 115 -2.727 -20.692 -15.073 1.00 0.00 C ATOM 1611 CD2 TYR A 115 -4.973 -20.416 -15.940 1.00 0.00 C ATOM 1612 CE1 TYR A 115 -2.223 -20.701 -16.379 1.00 0.00 C ATOM 1613 CE2 TYR A 115 -4.471 -20.425 -17.246 1.00 0.00 C ATOM 1614 CZ TYR A 115 -3.096 -20.567 -17.466 1.00 0.00 C ATOM 1615 OH TYR A 115 -2.599 -20.576 -18.754 1.00 0.00 O ATOM 0 H TYR A 115 -5.330 -20.161 -11.161 1.00 0.00 H new ATOM 0 HA TYR A 115 -3.204 -19.008 -12.860 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -4.243 -21.382 -12.882 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -5.729 -20.654 -13.460 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -2.054 -20.795 -14.234 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.034 -20.306 -15.771 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -1.162 -20.811 -16.548 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.144 -20.322 -18.084 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.337 -20.474 -19.390 1.00 0.00 H new ATOM 1625 N GLY A 116 -4.708 -17.722 -14.612 1.00 0.00 N ATOM 1626 CA GLY A 116 -5.408 -16.588 -15.280 1.00 0.00 C ATOM 1627 C GLY A 116 -5.353 -15.355 -14.378 1.00 0.00 C ATOM 1628 O GLY A 116 -4.535 -15.263 -13.484 1.00 0.00 O ATOM 0 H GLY A 116 -3.997 -18.187 -15.177 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -4.939 -16.371 -16.240 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.444 -16.856 -15.485 1.00 0.00 H new ATOM 1632 N LEU A 117 -6.216 -14.403 -14.606 1.00 0.00 N ATOM 1633 CA LEU A 117 -6.211 -13.174 -13.760 1.00 0.00 C ATOM 1634 C LEU A 117 -6.708 -13.499 -12.350 1.00 0.00 C ATOM 1635 O LEU A 117 -5.929 -13.359 -11.422 1.00 0.00 O ATOM 1636 CB LEU A 117 -7.170 -12.211 -14.460 1.00 0.00 C ATOM 1637 CG LEU A 117 -6.737 -12.030 -15.915 1.00 0.00 C ATOM 1638 CD1 LEU A 117 -7.969 -12.049 -16.822 1.00 0.00 C ATOM 1639 CD2 LEU A 117 -6.014 -10.690 -16.067 1.00 0.00 C ATOM 1640 OXT LEU A 117 -7.859 -13.882 -12.222 1.00 0.00 O ATOM 0 H LEU A 117 -6.924 -14.422 -15.340 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.213 -12.750 -13.652 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.188 -12.599 -14.418 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.174 -11.249 -13.948 1.00 0.00 H new ATOM 0 HG LEU A 117 -6.066 -12.841 -16.198 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.659 -11.920 -17.859 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.486 -13.003 -16.714 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.641 -11.238 -16.540 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -5.704 -10.559 -17.104 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -6.686 -9.880 -15.784 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.136 -10.675 -15.422 1.00 0.00 H new TER 1652 LEU A 117