USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 563 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 52 THR OG1 : rot 59:sc= 0.272 USER MOD Set 1.2: A 75 HIS : no HD1:sc= 0 X(o=0.27,f=0.24) USER MOD Single : A 8 LYS NZ :NH3+ -140:sc= 0 (180deg=-1.72) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.392 K(o=-0.39,f=-0.98) USER MOD Single : A 14 GLN : amide:sc= -11.2! C(o=-11!,f=-18!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.385 K(o=-0.38,f=-2.9!) USER MOD Single : A 23 THR OG1 : rot 107:sc= -1.39 USER MOD Single : A 24 ASN : amide:sc= -0.0619 K(o=-0.062,f=-5.3!) USER MOD Single : A 25 ASN : amide:sc= -1.48! C(o=-1.5!,f=-3.3!) USER MOD Single : A 27 SER OG : rot -17:sc= 1 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 60:sc= -3.19! USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.837 USER MOD Single : A 64 THR OG1 : rot -94:sc= 0.892 USER MOD Single : A 66 GLN : amide:sc= -3.5 K(o=-3.5,f=-11!) USER MOD Single : A 71 TYR OH : rot 80:sc= -3.51! USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -2.827 -10.413 -5.277 1.00 0.00 N ATOM 27 CA ILE A 3 -1.918 -9.674 -4.418 1.00 0.00 C ATOM 28 C ILE A 3 -2.210 -8.177 -4.542 1.00 0.00 C ATOM 29 O ILE A 3 -2.400 -7.493 -3.537 1.00 0.00 O ATOM 30 CB ILE A 3 -0.466 -10.045 -4.730 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.408 -9.934 -3.479 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.078 -9.204 -5.886 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.394 -8.508 -2.925 1.00 0.00 C ATOM 0 HA ILE A 3 -2.075 -9.945 -3.374 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.440 -11.087 -5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.050 -10.627 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.431 -10.225 -3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.111 -9.487 -6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.526 -9.376 -6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.037 -8.148 -5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.023 -8.457 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.776 -7.821 -3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.627 -8.229 -2.664 1.00 0.00 H new ATOM 45 N GLU A 4 -2.238 -7.712 -5.782 1.00 0.00 N ATOM 46 CA GLU A 4 -2.504 -6.309 -6.050 1.00 0.00 C ATOM 47 C GLU A 4 -3.984 -5.997 -5.823 1.00 0.00 C ATOM 48 O GLU A 4 -4.321 -5.066 -5.093 1.00 0.00 O ATOM 49 CB GLU A 4 -2.075 -5.931 -7.469 1.00 0.00 C ATOM 50 CG GLU A 4 -2.934 -6.649 -8.511 1.00 0.00 C ATOM 51 CD GLU A 4 -2.328 -6.512 -9.910 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.131 -6.219 -10.041 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.149 -6.722 -10.882 1.00 0.00 O ATOM 0 H GLU A 4 -2.081 -8.282 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.916 -5.709 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.160 -4.853 -7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.026 -6.189 -7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.022 -7.704 -8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.942 -6.234 -8.505 1.00 0.00 H new ATOM 61 N GLU A 5 -4.829 -6.793 -6.462 1.00 0.00 N ATOM 62 CA GLU A 5 -6.265 -6.614 -6.340 1.00 0.00 C ATOM 63 C GLU A 5 -6.661 -6.491 -4.867 1.00 0.00 C ATOM 64 O GLU A 5 -7.688 -5.896 -4.544 1.00 0.00 O ATOM 65 CB GLU A 5 -7.021 -7.759 -7.016 1.00 0.00 C ATOM 66 CG GLU A 5 -6.402 -9.111 -6.658 1.00 0.00 C ATOM 67 CD GLU A 5 -7.377 -10.254 -6.948 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.113 -10.685 -6.047 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.354 -10.696 -8.160 1.00 0.00 O ATOM 0 H GLU A 5 -4.546 -7.564 -7.066 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.540 -5.690 -6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.067 -7.741 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.004 -7.622 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.485 -9.257 -7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.127 -9.121 -5.603 1.00 0.00 H new ATOM 77 N ARG A 6 -5.824 -7.062 -4.013 1.00 0.00 N ATOM 78 CA ARG A 6 -6.074 -7.024 -2.582 1.00 0.00 C ATOM 79 C ARG A 6 -5.357 -5.829 -1.950 1.00 0.00 C ATOM 80 O ARG A 6 -5.883 -5.197 -1.035 1.00 0.00 O ATOM 81 CB ARG A 6 -5.599 -8.311 -1.905 1.00 0.00 C ATOM 82 CG ARG A 6 -6.537 -9.477 -2.226 1.00 0.00 C ATOM 83 CD ARG A 6 -5.983 -10.793 -1.677 1.00 0.00 C ATOM 84 NE ARG A 6 -6.451 -10.999 -0.288 1.00 0.00 N ATOM 85 CZ ARG A 6 -7.666 -11.491 0.036 1.00 0.00 C ATOM 86 NH1 ARG A 6 -8.546 -11.833 -0.929 1.00 0.00 N ATOM 87 NH2 ARG A 6 -7.980 -11.634 1.310 1.00 0.00 N ATOM 0 H ARG A 6 -4.972 -7.553 -4.284 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.150 -6.926 -2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.589 -8.550 -2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.553 -8.163 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.521 -9.286 -1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.669 -9.556 -3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.306 -11.623 -2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.893 -10.778 -1.704 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.816 -10.754 0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.295 -11.720 -1.911 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.462 -12.204 -0.676 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.309 -11.374 2.033 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.894 -12.004 1.572 1.00 0.00 H new ATOM 100 N VAL A 7 -4.165 -5.556 -2.462 1.00 0.00 N ATOM 101 CA VAL A 7 -3.371 -4.449 -1.958 1.00 0.00 C ATOM 102 C VAL A 7 -4.225 -3.180 -1.941 1.00 0.00 C ATOM 103 O VAL A 7 -4.147 -2.388 -1.003 1.00 0.00 O ATOM 104 CB VAL A 7 -2.095 -4.300 -2.791 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.418 -2.955 -2.520 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.133 -5.460 -2.532 1.00 0.00 C ATOM 0 H VAL A 7 -3.731 -6.082 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.055 -4.641 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.377 -4.327 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.514 -2.874 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.101 -2.145 -2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.156 -2.886 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.235 -5.330 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.861 -5.478 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.616 -6.400 -2.799 1.00 0.00 H new ATOM 116 N LYS A 8 -5.021 -3.027 -2.989 1.00 0.00 N ATOM 117 CA LYS A 8 -5.890 -1.867 -3.105 1.00 0.00 C ATOM 118 C LYS A 8 -6.698 -1.710 -1.816 1.00 0.00 C ATOM 119 O LYS A 8 -6.835 -0.603 -1.297 1.00 0.00 O ATOM 120 CB LYS A 8 -6.753 -1.969 -4.365 1.00 0.00 C ATOM 121 CG LYS A 8 -5.883 -2.087 -5.618 1.00 0.00 C ATOM 122 CD LYS A 8 -4.756 -1.053 -5.602 1.00 0.00 C ATOM 123 CE LYS A 8 -4.280 -0.740 -7.022 1.00 0.00 C ATOM 124 NZ LYS A 8 -3.911 -1.985 -7.732 1.00 0.00 N ATOM 0 H LYS A 8 -5.083 -3.686 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.300 -0.958 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.410 -2.836 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.393 -1.090 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.460 -3.090 -5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.498 -1.946 -6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.103 -0.139 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.922 -1.428 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.067 -0.222 -7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.423 -0.068 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.054 -1.821 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.730 -2.739 -7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.690 -2.271 -8.359 1.00 0.00 H new ATOM 137 N LYS A 9 -7.213 -2.833 -1.337 1.00 0.00 N ATOM 138 CA LYS A 9 -8.005 -2.833 -0.119 1.00 0.00 C ATOM 139 C LYS A 9 -7.153 -2.307 1.038 1.00 0.00 C ATOM 140 O LYS A 9 -7.509 -1.317 1.676 1.00 0.00 O ATOM 141 CB LYS A 9 -8.597 -4.220 0.135 1.00 0.00 C ATOM 142 CG LYS A 9 -9.860 -4.439 -0.701 1.00 0.00 C ATOM 143 CD LYS A 9 -10.316 -5.898 -0.634 1.00 0.00 C ATOM 144 CE LYS A 9 -11.774 -5.997 -0.180 1.00 0.00 C ATOM 145 NZ LYS A 9 -11.864 -5.911 1.295 1.00 0.00 N ATOM 0 H LYS A 9 -7.097 -3.749 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.858 -2.161 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.859 -4.984 -0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.834 -4.330 1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.657 -3.788 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.667 -4.162 -1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.204 -6.363 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.678 -6.451 0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.358 -5.196 -0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.205 -6.938 -0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.860 -5.980 1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.324 -6.690 1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.472 -5.002 1.614 1.00 0.00 H new ATOM 158 N ILE A 10 -6.044 -2.992 1.273 1.00 0.00 N ATOM 159 CA ILE A 10 -5.138 -2.606 2.342 1.00 0.00 C ATOM 160 C ILE A 10 -4.987 -1.084 2.352 1.00 0.00 C ATOM 161 O ILE A 10 -5.218 -0.440 3.374 1.00 0.00 O ATOM 162 CB ILE A 10 -3.810 -3.355 2.215 1.00 0.00 C ATOM 163 CG1 ILE A 10 -4.004 -4.856 2.441 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.756 -2.765 3.155 1.00 0.00 C ATOM 165 CD1 ILE A 10 -3.471 -5.662 1.255 1.00 0.00 C ATOM 0 H ILE A 10 -5.752 -3.812 0.742 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.548 -2.892 3.311 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.441 -3.228 1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.489 -5.160 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.063 -5.072 2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.822 -3.315 3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.591 -1.717 2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.103 -2.842 4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.621 -6.725 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.005 -5.373 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.407 -5.462 1.128 1.00 0.00 H new ATOM 177 N ILE A 11 -4.600 -0.552 1.201 1.00 0.00 N ATOM 178 CA ILE A 11 -4.415 0.883 1.064 1.00 0.00 C ATOM 179 C ILE A 11 -5.776 1.577 1.142 1.00 0.00 C ATOM 180 O ILE A 11 -5.869 2.719 1.590 1.00 0.00 O ATOM 181 CB ILE A 11 -3.633 1.203 -0.211 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.389 0.320 -0.328 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.288 2.692 -0.284 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.586 0.329 0.974 1.00 0.00 C ATOM 0 H ILE A 11 -4.410 -1.089 0.355 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.812 1.270 1.885 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.269 0.978 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.685 -0.701 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.764 0.673 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.732 2.892 -1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.207 3.279 -0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.679 2.967 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.707 -0.306 0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.271 1.348 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.207 -0.048 1.787 1.00 0.00 H new ATOM 196 N GLY A 12 -6.798 0.859 0.699 1.00 0.00 N ATOM 197 CA GLY A 12 -8.149 1.393 0.713 1.00 0.00 C ATOM 198 C GLY A 12 -8.678 1.511 2.144 1.00 0.00 C ATOM 199 O GLY A 12 -9.569 2.314 2.416 1.00 0.00 O ATOM 0 H GLY A 12 -6.717 -0.088 0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.161 2.373 0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.805 0.746 0.131 1.00 0.00 H new ATOM 203 N GLN A 13 -8.105 0.699 3.021 1.00 0.00 N ATOM 204 CA GLN A 13 -8.507 0.703 4.417 1.00 0.00 C ATOM 205 C GLN A 13 -7.440 1.386 5.275 1.00 0.00 C ATOM 206 O GLN A 13 -7.702 2.416 5.895 1.00 0.00 O ATOM 207 CB GLN A 13 -8.781 -0.718 4.913 1.00 0.00 C ATOM 208 CG GLN A 13 -10.285 -0.986 5.004 1.00 0.00 C ATOM 209 CD GLN A 13 -10.948 -0.052 6.019 1.00 0.00 C ATOM 210 OE1 GLN A 13 -10.355 0.358 7.003 1.00 0.00 O ATOM 211 NE2 GLN A 13 -12.207 0.259 5.726 1.00 0.00 N ATOM 0 H GLN A 13 -7.366 0.034 2.792 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.434 1.269 4.506 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.320 -1.438 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.323 -0.860 5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.743 -0.848 4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.456 -2.023 5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.643 -0.119 4.885 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.736 0.876 6.342 1.00 0.00 H new ATOM 220 N GLN A 14 -6.259 0.786 5.283 1.00 0.00 N ATOM 221 CA GLN A 14 -5.151 1.323 6.054 1.00 0.00 C ATOM 222 C GLN A 14 -5.148 2.852 5.985 1.00 0.00 C ATOM 223 O GLN A 14 -5.405 3.522 6.983 1.00 0.00 O ATOM 224 CB GLN A 14 -3.817 0.750 5.571 1.00 0.00 C ATOM 225 CG GLN A 14 -3.623 -0.683 6.073 1.00 0.00 C ATOM 226 CD GLN A 14 -3.659 -0.738 7.601 1.00 0.00 C ATOM 227 OE1 GLN A 14 -2.666 -0.537 8.280 1.00 0.00 O ATOM 228 NE2 GLN A 14 -4.858 -1.022 8.103 1.00 0.00 N ATOM 0 H GLN A 14 -6.045 -0.068 4.767 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.281 1.026 7.095 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.783 0.765 4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.998 1.377 5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.404 -1.324 5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.670 -1.072 5.714 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.648 -1.179 7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.987 -1.082 9.113 1.00 0.00 H new ATOM 237 N LEU A 15 -4.853 3.357 4.796 1.00 0.00 N ATOM 238 CA LEU A 15 -4.813 4.794 4.583 1.00 0.00 C ATOM 239 C LEU A 15 -6.145 5.408 5.021 1.00 0.00 C ATOM 240 O LEU A 15 -6.214 6.079 6.049 1.00 0.00 O ATOM 241 CB LEU A 15 -4.438 5.111 3.134 1.00 0.00 C ATOM 242 CG LEU A 15 -3.112 4.526 2.642 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.401 5.498 1.698 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.224 4.115 3.818 1.00 0.00 C ATOM 0 H LEU A 15 -4.640 2.797 3.971 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.035 5.248 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.235 4.748 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.400 6.194 3.018 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.328 3.623 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.462 5.058 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.036 5.698 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.198 6.432 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.288 3.703 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.013 4.987 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.737 3.362 4.416 1.00 0.00 H new ATOM 256 N GLY A 16 -7.169 5.154 4.220 1.00 0.00 N ATOM 257 CA GLY A 16 -8.494 5.673 4.512 1.00 0.00 C ATOM 258 C GLY A 16 -9.123 6.302 3.267 1.00 0.00 C ATOM 259 O GLY A 16 -9.285 7.520 3.196 1.00 0.00 O ATOM 0 H GLY A 16 -7.108 4.595 3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.131 4.868 4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.430 6.416 5.307 1.00 0.00 H new ATOM 263 N VAL A 17 -9.462 5.444 2.316 1.00 0.00 N ATOM 264 CA VAL A 17 -10.070 5.900 1.078 1.00 0.00 C ATOM 265 C VAL A 17 -11.107 4.874 0.616 1.00 0.00 C ATOM 266 O VAL A 17 -11.352 3.882 1.300 1.00 0.00 O ATOM 267 CB VAL A 17 -8.987 6.169 0.031 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.063 7.304 0.477 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.189 4.899 -0.271 1.00 0.00 C ATOM 0 H VAL A 17 -9.327 4.435 2.378 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.593 6.843 1.234 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.481 6.481 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.303 7.475 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.646 8.214 0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.581 7.033 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.426 5.118 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.712 4.544 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.860 4.130 -0.653 1.00 0.00 H new ATOM 279 N LYS A 18 -11.688 5.148 -0.543 1.00 0.00 N ATOM 280 CA LYS A 18 -12.693 4.262 -1.105 1.00 0.00 C ATOM 281 C LYS A 18 -12.036 2.936 -1.496 1.00 0.00 C ATOM 282 O LYS A 18 -10.837 2.749 -1.290 1.00 0.00 O ATOM 283 CB LYS A 18 -13.428 4.947 -2.258 1.00 0.00 C ATOM 284 CG LYS A 18 -14.396 6.011 -1.736 1.00 0.00 C ATOM 285 CD LYS A 18 -13.663 7.322 -1.441 1.00 0.00 C ATOM 286 CE LYS A 18 -13.555 7.562 0.066 1.00 0.00 C ATOM 287 NZ LYS A 18 -12.926 8.874 0.337 1.00 0.00 N ATOM 0 H LYS A 18 -11.482 5.972 -1.108 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.457 4.034 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.706 5.407 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.976 4.204 -2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.181 6.187 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.884 5.651 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.666 7.292 -1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.193 8.152 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.546 7.527 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.967 6.768 0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.860 9.022 1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.972 8.894 -0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.503 9.629 -0.085 1.00 0.00 H new ATOM 300 N GLN A 19 -12.849 2.051 -2.052 1.00 0.00 N ATOM 301 CA GLN A 19 -12.362 0.748 -2.474 1.00 0.00 C ATOM 302 C GLN A 19 -12.527 0.584 -3.986 1.00 0.00 C ATOM 303 O GLN A 19 -12.240 -0.480 -4.533 1.00 0.00 O ATOM 304 CB GLN A 19 -13.076 -0.375 -1.718 1.00 0.00 C ATOM 305 CG GLN A 19 -14.553 -0.447 -2.111 1.00 0.00 C ATOM 306 CD GLN A 19 -15.449 -0.479 -0.871 1.00 0.00 C ATOM 307 OE1 GLN A 19 -14.989 -0.490 0.259 1.00 0.00 O ATOM 308 NE2 GLN A 19 -16.750 -0.492 -1.145 1.00 0.00 N ATOM 0 H GLN A 19 -13.842 2.210 -2.220 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.300 0.683 -2.236 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.592 -1.328 -1.933 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.989 -0.208 -0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.811 0.413 -2.729 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.729 -1.337 -2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.067 -0.482 -2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.431 -0.512 -0.386 1.00 0.00 H new ATOM 317 N GLU A 20 -12.990 1.652 -4.618 1.00 0.00 N ATOM 318 CA GLU A 20 -13.197 1.639 -6.056 1.00 0.00 C ATOM 319 C GLU A 20 -12.346 2.720 -6.725 1.00 0.00 C ATOM 320 O GLU A 20 -11.783 2.499 -7.796 1.00 0.00 O ATOM 321 CB GLU A 20 -14.678 1.818 -6.398 1.00 0.00 C ATOM 322 CG GLU A 20 -15.149 0.738 -7.374 1.00 0.00 C ATOM 323 CD GLU A 20 -16.323 1.236 -8.219 1.00 0.00 C ATOM 324 OE1 GLU A 20 -16.326 2.399 -8.651 1.00 0.00 O ATOM 325 OE2 GLU A 20 -17.255 0.368 -8.423 1.00 0.00 O ATOM 0 H GLU A 20 -13.228 2.532 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.883 0.668 -6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.274 1.774 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.837 2.803 -6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.325 0.447 -8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.447 -0.152 -6.820 1.00 0.00 H new ATOM 333 N GLU A 21 -12.278 3.867 -6.065 1.00 0.00 N ATOM 334 CA GLU A 21 -11.505 4.984 -6.582 1.00 0.00 C ATOM 335 C GLU A 21 -10.013 4.643 -6.578 1.00 0.00 C ATOM 336 O GLU A 21 -9.244 5.197 -7.362 1.00 0.00 O ATOM 337 CB GLU A 21 -11.778 6.258 -5.781 1.00 0.00 C ATOM 338 CG GLU A 21 -13.198 6.769 -6.031 1.00 0.00 C ATOM 339 CD GLU A 21 -13.336 8.234 -5.610 1.00 0.00 C ATOM 340 OE1 GLU A 21 -12.455 9.051 -5.914 1.00 0.00 O ATOM 341 OE2 GLU A 21 -14.406 8.511 -4.946 1.00 0.00 O ATOM 0 H GLU A 21 -12.746 4.047 -5.177 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.814 5.169 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.641 6.060 -4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.057 7.027 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.445 6.666 -7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.911 6.159 -5.476 1.00 0.00 H new ATOM 349 N VAL A 22 -9.649 3.733 -5.686 1.00 0.00 N ATOM 350 CA VAL A 22 -8.263 3.312 -5.570 1.00 0.00 C ATOM 351 C VAL A 22 -7.772 2.807 -6.928 1.00 0.00 C ATOM 352 O VAL A 22 -8.335 1.865 -7.484 1.00 0.00 O ATOM 353 CB VAL A 22 -8.124 2.270 -4.458 1.00 0.00 C ATOM 354 CG1 VAL A 22 -6.860 1.430 -4.649 1.00 0.00 C ATOM 355 CG2 VAL A 22 -8.139 2.933 -3.080 1.00 0.00 C ATOM 0 H VAL A 22 -10.290 3.276 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.630 4.154 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.983 1.601 -4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.785 0.697 -3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.908 0.914 -5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.985 2.080 -4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.039 2.170 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.309 3.636 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.080 3.466 -2.943 1.00 0.00 H new ATOM 365 N THR A 23 -6.728 3.455 -7.423 1.00 0.00 N ATOM 366 CA THR A 23 -6.155 3.083 -8.705 1.00 0.00 C ATOM 367 C THR A 23 -4.823 2.358 -8.504 1.00 0.00 C ATOM 368 O THR A 23 -4.505 1.933 -7.394 1.00 0.00 O ATOM 369 CB THR A 23 -6.035 4.350 -9.555 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.170 5.193 -8.800 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.348 5.133 -9.628 1.00 0.00 C ATOM 0 H THR A 23 -6.264 4.236 -6.959 1.00 0.00 H new ATOM 0 HA THR A 23 -6.796 2.378 -9.235 1.00 0.00 H new ATOM 0 HB THR A 23 -5.716 4.083 -10.562 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.291 5.231 -9.232 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.208 6.022 -10.243 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.122 4.505 -10.069 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.651 5.430 -8.624 1.00 0.00 H new ATOM 379 N ASN A 24 -4.081 2.238 -9.595 1.00 0.00 N ATOM 380 CA ASN A 24 -2.791 1.571 -9.552 1.00 0.00 C ATOM 381 C ASN A 24 -1.721 2.502 -10.127 1.00 0.00 C ATOM 382 O ASN A 24 -0.802 2.051 -10.808 1.00 0.00 O ATOM 383 CB ASN A 24 -2.804 0.291 -10.391 1.00 0.00 C ATOM 384 CG ASN A 24 -3.279 0.576 -11.817 1.00 0.00 C ATOM 385 OD1 ASN A 24 -3.545 1.704 -12.197 1.00 0.00 O ATOM 386 ND2 ASN A 24 -3.371 -0.508 -12.583 1.00 0.00 N ATOM 0 H ASN A 24 -4.348 2.591 -10.514 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.576 1.319 -8.513 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.804 -0.142 -10.417 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.459 -0.446 -9.926 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.680 -0.423 -13.551 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.133 -1.424 -12.202 1.00 0.00 H new ATOM 393 N ASN A 25 -1.877 3.784 -9.831 1.00 0.00 N ATOM 394 CA ASN A 25 -0.936 4.782 -10.309 1.00 0.00 C ATOM 395 C ASN A 25 -1.352 6.160 -9.790 1.00 0.00 C ATOM 396 O ASN A 25 -1.248 7.155 -10.506 1.00 0.00 O ATOM 397 CB ASN A 25 -0.922 4.838 -11.838 1.00 0.00 C ATOM 398 CG ASN A 25 0.119 5.839 -12.341 1.00 0.00 C ATOM 399 OD1 ASN A 25 0.900 6.395 -11.586 1.00 0.00 O ATOM 400 ND2 ASN A 25 0.088 6.038 -13.656 1.00 0.00 N ATOM 0 H ASN A 25 -2.641 4.154 -9.266 1.00 0.00 H new ATOM 0 HA ASN A 25 0.056 4.510 -9.948 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.704 3.848 -12.240 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.909 5.120 -12.204 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.744 6.688 -14.089 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.591 5.540 -14.231 1.00 0.00 H new ATOM 407 N ALA A 26 -1.815 6.174 -8.548 1.00 0.00 N ATOM 408 CA ALA A 26 -2.248 7.413 -7.925 1.00 0.00 C ATOM 409 C ALA A 26 -1.527 7.583 -6.586 1.00 0.00 C ATOM 410 O ALA A 26 -1.398 6.630 -5.820 1.00 0.00 O ATOM 411 CB ALA A 26 -3.770 7.402 -7.770 1.00 0.00 C ATOM 0 H ALA A 26 -1.900 5.347 -7.957 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.990 8.268 -8.550 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.095 8.332 -7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.235 7.307 -8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.066 6.559 -7.146 1.00 0.00 H new ATOM 417 N SER A 27 -1.075 8.806 -6.346 1.00 0.00 N ATOM 418 CA SER A 27 -0.370 9.114 -5.113 1.00 0.00 C ATOM 419 C SER A 27 -1.363 9.209 -3.952 1.00 0.00 C ATOM 420 O SER A 27 -2.259 10.051 -3.965 1.00 0.00 O ATOM 421 CB SER A 27 0.422 10.416 -5.242 1.00 0.00 C ATOM 422 OG SER A 27 1.734 10.299 -4.700 1.00 0.00 O ATOM 0 H SER A 27 -1.183 9.594 -6.984 1.00 0.00 H new ATOM 0 HA SER A 27 0.337 8.309 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.488 10.698 -6.293 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.111 11.217 -4.730 1.00 0.00 H new ATOM 0 HG SER A 27 1.779 9.511 -4.119 1.00 0.00 H new ATOM 428 N PHE A 28 -1.169 8.332 -2.977 1.00 0.00 N ATOM 429 CA PHE A 28 -2.037 8.307 -1.812 1.00 0.00 C ATOM 430 C PHE A 28 -1.440 9.127 -0.666 1.00 0.00 C ATOM 431 O PHE A 28 -2.017 9.198 0.418 1.00 0.00 O ATOM 432 CB PHE A 28 -2.151 6.846 -1.371 1.00 0.00 C ATOM 433 CG PHE A 28 -3.284 6.077 -2.053 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.472 6.192 -3.395 1.00 0.00 C ATOM 435 CD2 PHE A 28 -4.104 5.280 -1.317 1.00 0.00 C ATOM 436 CE1 PHE A 28 -4.524 5.478 -4.028 1.00 0.00 C ATOM 437 CE2 PHE A 28 -5.156 4.567 -1.950 1.00 0.00 C ATOM 438 CZ PHE A 28 -5.344 4.681 -3.292 1.00 0.00 C ATOM 0 H PHE A 28 -0.425 7.635 -2.970 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.008 8.734 -2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.207 6.340 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.302 6.814 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.822 6.826 -3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.955 5.189 -0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.673 5.568 -5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.807 3.934 -1.366 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.144 4.139 -3.773 1.00 0.00 H new ATOM 448 N VAL A 29 -0.292 9.727 -0.946 1.00 0.00 N ATOM 449 CA VAL A 29 0.390 10.539 0.047 1.00 0.00 C ATOM 450 C VAL A 29 0.268 12.015 -0.337 1.00 0.00 C ATOM 451 O VAL A 29 0.057 12.869 0.523 1.00 0.00 O ATOM 452 CB VAL A 29 1.841 10.078 0.195 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.401 10.462 1.566 1.00 0.00 C ATOM 454 CG2 VAL A 29 1.964 8.572 -0.046 1.00 0.00 C ATOM 0 H VAL A 29 0.183 9.667 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.076 10.417 1.025 1.00 0.00 H new ATOM 0 HB VAL A 29 2.434 10.588 -0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.434 10.123 1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.365 11.545 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.804 9.992 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.005 8.270 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.351 8.036 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.623 8.336 -1.054 1.00 0.00 H new ATOM 464 N GLU A 30 0.406 12.270 -1.630 1.00 0.00 N ATOM 465 CA GLU A 30 0.314 13.628 -2.139 1.00 0.00 C ATOM 466 C GLU A 30 -1.139 13.973 -2.473 1.00 0.00 C ATOM 467 O GLU A 30 -1.788 14.719 -1.741 1.00 0.00 O ATOM 468 CB GLU A 30 1.217 13.819 -3.359 1.00 0.00 C ATOM 469 CG GLU A 30 1.066 15.227 -3.938 1.00 0.00 C ATOM 470 CD GLU A 30 0.022 15.250 -5.057 1.00 0.00 C ATOM 471 OE1 GLU A 30 -1.038 15.875 -4.903 1.00 0.00 O ATOM 472 OE2 GLU A 30 0.345 14.590 -6.117 1.00 0.00 O ATOM 0 H GLU A 30 0.581 11.559 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 30 0.659 14.310 -1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.256 13.647 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.967 13.080 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.774 15.919 -3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.026 15.570 -4.324 1.00 0.00 H new ATOM 480 N ASP A 31 -1.608 13.412 -3.578 1.00 0.00 N ATOM 481 CA ASP A 31 -2.972 13.651 -4.018 1.00 0.00 C ATOM 482 C ASP A 31 -3.923 13.480 -2.831 1.00 0.00 C ATOM 483 O ASP A 31 -4.357 14.463 -2.233 1.00 0.00 O ATOM 484 CB ASP A 31 -3.384 12.652 -5.101 1.00 0.00 C ATOM 485 CG ASP A 31 -3.535 13.245 -6.503 1.00 0.00 C ATOM 486 OD1 ASP A 31 -2.639 13.118 -7.351 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.644 13.870 -6.714 1.00 0.00 O ATOM 0 H ASP A 31 -1.068 12.793 -4.182 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.024 14.662 -4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.643 11.853 -5.138 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.331 12.195 -4.812 1.00 0.00 H new ATOM 493 N LEU A 32 -4.218 12.225 -2.526 1.00 0.00 N ATOM 494 CA LEU A 32 -5.110 11.913 -1.422 1.00 0.00 C ATOM 495 C LEU A 32 -4.610 12.612 -0.156 1.00 0.00 C ATOM 496 O LEU A 32 -4.889 13.791 0.058 1.00 0.00 O ATOM 497 CB LEU A 32 -5.264 10.399 -1.269 1.00 0.00 C ATOM 498 CG LEU A 32 -6.102 9.698 -2.340 1.00 0.00 C ATOM 499 CD1 LEU A 32 -7.580 10.076 -2.214 1.00 0.00 C ATOM 500 CD2 LEU A 32 -5.555 9.985 -3.740 1.00 0.00 C ATOM 0 H LEU A 32 -3.855 11.412 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.112 12.293 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.270 9.952 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.711 10.196 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.029 8.622 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.154 9.564 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.949 9.780 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.691 11.154 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.169 9.475 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.578 11.059 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.528 9.626 -3.810 1.00 0.00 H new ATOM 512 N GLY A 33 -3.880 11.855 0.650 1.00 0.00 N ATOM 513 CA GLY A 33 -3.339 12.387 1.889 1.00 0.00 C ATOM 514 C GLY A 33 -3.013 11.261 2.873 1.00 0.00 C ATOM 515 O GLY A 33 -3.905 10.732 3.534 1.00 0.00 O ATOM 0 H GLY A 33 -3.651 10.878 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.438 12.963 1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.058 13.072 2.339 1.00 0.00 H new ATOM 519 N ALA A 34 -1.733 10.928 2.938 1.00 0.00 N ATOM 520 CA ALA A 34 -1.278 9.874 3.830 1.00 0.00 C ATOM 521 C ALA A 34 0.006 10.324 4.531 1.00 0.00 C ATOM 522 O ALA A 34 1.101 9.906 4.157 1.00 0.00 O ATOM 523 CB ALA A 34 -1.086 8.581 3.036 1.00 0.00 C ATOM 0 H ALA A 34 -0.996 11.369 2.388 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.022 9.676 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.745 7.791 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.033 8.289 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.343 8.741 2.254 1.00 0.00 H new ATOM 529 N ASP A 35 -0.171 11.171 5.535 1.00 0.00 N ATOM 530 CA ASP A 35 0.959 11.682 6.291 1.00 0.00 C ATOM 531 C ASP A 35 0.801 11.292 7.762 1.00 0.00 C ATOM 532 O ASP A 35 1.020 12.113 8.652 1.00 0.00 O ATOM 533 CB ASP A 35 1.031 13.208 6.211 1.00 0.00 C ATOM 534 CG ASP A 35 -0.308 13.906 5.965 1.00 0.00 C ATOM 535 OD1 ASP A 35 -1.211 13.873 6.815 1.00 0.00 O ATOM 536 OD2 ASP A 35 -0.408 14.511 4.830 1.00 0.00 O ATOM 0 H ASP A 35 -1.080 11.516 5.842 1.00 0.00 H new ATOM 0 HA ASP A 35 1.868 11.256 5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.455 13.586 7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.719 13.483 5.412 1.00 0.00 H new ATOM 542 N SER A 36 0.420 10.041 7.972 1.00 0.00 N ATOM 543 CA SER A 36 0.230 9.533 9.320 1.00 0.00 C ATOM 544 C SER A 36 -0.002 8.021 9.282 1.00 0.00 C ATOM 545 O SER A 36 0.861 7.246 9.693 1.00 0.00 O ATOM 546 CB SER A 36 -0.942 10.232 10.012 1.00 0.00 C ATOM 547 OG SER A 36 -0.827 10.189 11.432 1.00 0.00 O ATOM 0 H SER A 36 0.238 9.364 7.231 1.00 0.00 H new ATOM 0 HA SER A 36 1.133 9.741 9.894 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.990 11.270 9.684 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.876 9.759 9.710 1.00 0.00 H new ATOM 0 HG SER A 36 -1.593 10.647 11.836 1.00 0.00 H new ATOM 553 N LEU A 37 -1.171 7.646 8.785 1.00 0.00 N ATOM 554 CA LEU A 37 -1.528 6.241 8.687 1.00 0.00 C ATOM 555 C LEU A 37 -1.136 5.715 7.305 1.00 0.00 C ATOM 556 O LEU A 37 -1.784 4.814 6.773 1.00 0.00 O ATOM 557 CB LEU A 37 -3.006 6.038 9.027 1.00 0.00 C ATOM 558 CG LEU A 37 -3.570 6.937 10.128 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.949 7.478 9.742 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.597 6.207 11.472 1.00 0.00 C ATOM 0 H LEU A 37 -1.884 8.291 8.445 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.974 5.655 9.420 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.592 6.195 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.151 4.999 9.324 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.907 7.795 10.241 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.327 8.114 10.542 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.868 8.060 8.824 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.635 6.646 9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.002 6.869 12.237 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.224 5.319 11.391 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.584 5.912 11.746 1.00 0.00 H new ATOM 572 N ASP A 38 -0.078 6.299 6.762 1.00 0.00 N ATOM 573 CA ASP A 38 0.407 5.900 5.452 1.00 0.00 C ATOM 574 C ASP A 38 1.058 4.519 5.552 1.00 0.00 C ATOM 575 O ASP A 38 0.396 3.501 5.353 1.00 0.00 O ATOM 576 CB ASP A 38 1.459 6.882 4.932 1.00 0.00 C ATOM 577 CG ASP A 38 2.376 6.328 3.840 1.00 0.00 C ATOM 578 OD1 ASP A 38 2.012 5.391 3.114 1.00 0.00 O ATOM 579 OD2 ASP A 38 3.525 6.908 3.747 1.00 0.00 O ATOM 0 H ASP A 38 0.457 7.046 7.206 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.442 5.885 4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.950 7.765 4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.074 7.210 5.770 1.00 0.00 H new ATOM 585 N THR A 39 2.346 4.529 5.861 1.00 0.00 N ATOM 586 CA THR A 39 3.094 3.289 5.991 1.00 0.00 C ATOM 587 C THR A 39 2.842 2.655 7.360 1.00 0.00 C ATOM 588 O THR A 39 2.543 1.466 7.452 1.00 0.00 O ATOM 589 CB THR A 39 4.569 3.597 5.726 1.00 0.00 C ATOM 590 OG1 THR A 39 5.189 2.315 5.686 1.00 0.00 O ATOM 591 CG2 THR A 39 5.241 4.301 6.906 1.00 0.00 C ATOM 0 H THR A 39 2.891 5.375 6.025 1.00 0.00 H new ATOM 0 HA THR A 39 2.765 2.550 5.260 1.00 0.00 H new ATOM 0 HB THR A 39 4.656 4.220 4.836 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.788 1.780 4.969 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.286 4.496 6.666 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.732 5.244 7.105 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.185 3.665 7.789 1.00 0.00 H new ATOM 599 N VAL A 40 2.971 3.478 8.391 1.00 0.00 N ATOM 600 CA VAL A 40 2.762 3.013 9.751 1.00 0.00 C ATOM 601 C VAL A 40 1.610 2.005 9.769 1.00 0.00 C ATOM 602 O VAL A 40 1.607 1.076 10.574 1.00 0.00 O ATOM 603 CB VAL A 40 2.528 4.204 10.682 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.266 3.738 12.115 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.705 5.180 10.629 1.00 0.00 C ATOM 0 H VAL A 40 3.218 4.464 8.311 1.00 0.00 H new ATOM 0 HA VAL A 40 3.650 2.500 10.119 1.00 0.00 H new ATOM 0 HB VAL A 40 1.639 4.731 10.335 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.103 4.605 12.755 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.382 3.101 12.135 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.126 3.176 12.478 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.514 6.018 11.300 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.616 4.668 10.938 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.825 5.551 9.611 1.00 0.00 H new ATOM 615 N GLU A 41 0.661 2.224 8.871 1.00 0.00 N ATOM 616 CA GLU A 41 -0.494 1.347 8.774 1.00 0.00 C ATOM 617 C GLU A 41 -0.311 0.355 7.624 1.00 0.00 C ATOM 618 O GLU A 41 -0.289 -0.856 7.841 1.00 0.00 O ATOM 619 CB GLU A 41 -1.782 2.154 8.602 1.00 0.00 C ATOM 620 CG GLU A 41 -2.602 2.159 9.894 1.00 0.00 C ATOM 621 CD GLU A 41 -3.888 1.346 9.730 1.00 0.00 C ATOM 622 OE1 GLU A 41 -3.968 0.207 10.213 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.828 1.939 9.074 1.00 0.00 O ATOM 0 H GLU A 41 0.668 2.996 8.204 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.578 0.784 9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.539 3.178 8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.376 1.730 7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.007 1.745 10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.848 3.185 10.169 1.00 0.00 H new ATOM 631 N LEU A 42 -0.183 0.904 6.425 1.00 0.00 N ATOM 632 CA LEU A 42 -0.003 0.082 5.241 1.00 0.00 C ATOM 633 C LEU A 42 0.931 -1.084 5.572 1.00 0.00 C ATOM 634 O LEU A 42 0.650 -2.228 5.218 1.00 0.00 O ATOM 635 CB LEU A 42 0.473 0.936 4.063 1.00 0.00 C ATOM 636 CG LEU A 42 1.124 0.178 2.905 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.284 1.081 1.680 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.453 -0.446 3.336 1.00 0.00 C ATOM 0 H LEU A 42 -0.200 1.908 6.248 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.954 -0.349 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.381 1.491 3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.186 1.670 4.437 1.00 0.00 H new ATOM 0 HG LEU A 42 0.463 -0.640 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.749 0.518 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.305 1.435 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.912 1.934 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.895 -0.979 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.133 0.339 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.279 -1.143 4.156 1.00 0.00 H new ATOM 650 N VAL A 43 2.022 -0.753 6.247 1.00 0.00 N ATOM 651 CA VAL A 43 2.999 -1.758 6.629 1.00 0.00 C ATOM 652 C VAL A 43 2.276 -2.954 7.253 1.00 0.00 C ATOM 653 O VAL A 43 2.160 -4.008 6.629 1.00 0.00 O ATOM 654 CB VAL A 43 4.047 -1.142 7.558 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.127 -2.164 7.919 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.664 0.110 6.933 1.00 0.00 C ATOM 0 H VAL A 43 2.251 0.197 6.539 1.00 0.00 H new ATOM 0 HA VAL A 43 3.535 -2.123 5.753 1.00 0.00 H new ATOM 0 HB VAL A 43 3.546 -0.845 8.479 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.860 -1.701 8.580 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.669 -3.014 8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.623 -2.506 7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.406 0.529 7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.144 -0.153 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.883 0.848 6.749 1.00 0.00 H new ATOM 666 N MET A 44 1.809 -2.750 8.476 1.00 0.00 N ATOM 667 CA MET A 44 1.101 -3.798 9.191 1.00 0.00 C ATOM 668 C MET A 44 0.219 -4.611 8.241 1.00 0.00 C ATOM 669 O MET A 44 0.331 -5.834 8.178 1.00 0.00 O ATOM 670 CB MET A 44 0.233 -3.173 10.285 1.00 0.00 C ATOM 671 CG MET A 44 1.096 -2.616 11.419 1.00 0.00 C ATOM 672 SD MET A 44 0.096 -2.347 12.872 1.00 0.00 S ATOM 673 CE MET A 44 1.102 -1.143 13.723 1.00 0.00 C ATOM 0 H MET A 44 1.907 -1.874 8.990 1.00 0.00 H new ATOM 0 HA MET A 44 1.836 -4.468 9.637 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.375 -2.374 9.860 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.455 -3.921 10.680 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.904 -3.311 11.647 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.559 -1.680 11.108 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.620 -0.863 14.660 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.082 -1.571 13.933 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.219 -0.259 13.097 1.00 0.00 H new ATOM 683 N ALA A 45 -0.639 -3.897 7.526 1.00 0.00 N ATOM 684 CA ALA A 45 -1.539 -4.537 6.582 1.00 0.00 C ATOM 685 C ALA A 45 -0.723 -5.357 5.580 1.00 0.00 C ATOM 686 O ALA A 45 -0.753 -6.586 5.609 1.00 0.00 O ATOM 687 CB ALA A 45 -2.402 -3.474 5.899 1.00 0.00 C ATOM 0 H ALA A 45 -0.730 -2.883 7.582 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.212 -5.222 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.077 -3.954 5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.984 -2.940 6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.760 -2.770 5.369 1.00 0.00 H new ATOM 693 N LEU A 46 -0.015 -4.643 4.718 1.00 0.00 N ATOM 694 CA LEU A 46 0.808 -5.289 3.709 1.00 0.00 C ATOM 695 C LEU A 46 1.656 -6.378 4.370 1.00 0.00 C ATOM 696 O LEU A 46 2.084 -7.323 3.709 1.00 0.00 O ATOM 697 CB LEU A 46 1.629 -4.251 2.942 1.00 0.00 C ATOM 698 CG LEU A 46 0.834 -3.283 2.064 1.00 0.00 C ATOM 699 CD1 LEU A 46 1.768 -2.429 1.204 1.00 0.00 C ATOM 700 CD2 LEU A 46 -0.198 -4.031 1.218 1.00 0.00 C ATOM 0 H LEU A 46 0.006 -3.623 4.697 1.00 0.00 H new ATOM 0 HA LEU A 46 0.182 -5.780 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.205 -3.669 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.346 -4.777 2.311 1.00 0.00 H new ATOM 0 HG LEU A 46 0.285 -2.604 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.177 -1.750 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.430 -1.852 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.363 -3.076 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.749 -3.319 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.311 -4.749 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.892 -4.559 1.873 1.00 0.00 H new ATOM 712 N GLU A 47 1.873 -6.210 5.666 1.00 0.00 N ATOM 713 CA GLU A 47 2.662 -7.166 6.423 1.00 0.00 C ATOM 714 C GLU A 47 1.827 -8.407 6.744 1.00 0.00 C ATOM 715 O GLU A 47 2.239 -9.529 6.453 1.00 0.00 O ATOM 716 CB GLU A 47 3.214 -6.532 7.701 1.00 0.00 C ATOM 717 CG GLU A 47 4.566 -5.863 7.442 1.00 0.00 C ATOM 718 CD GLU A 47 5.697 -6.628 8.132 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.159 -7.654 7.611 1.00 0.00 O ATOM 720 OE2 GLU A 47 6.097 -6.120 9.248 1.00 0.00 O ATOM 0 H GLU A 47 1.516 -5.425 6.211 1.00 0.00 H new ATOM 0 HA GLU A 47 3.511 -7.471 5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.506 -5.795 8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.324 -7.295 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.754 -5.818 6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.543 -4.835 7.805 1.00 0.00 H new ATOM 728 N GLU A 48 0.668 -8.165 7.339 1.00 0.00 N ATOM 729 CA GLU A 48 -0.229 -9.249 7.702 1.00 0.00 C ATOM 730 C GLU A 48 -0.635 -10.040 6.457 1.00 0.00 C ATOM 731 O GLU A 48 -0.812 -11.256 6.521 1.00 0.00 O ATOM 732 CB GLU A 48 -1.459 -8.719 8.441 1.00 0.00 C ATOM 733 CG GLU A 48 -1.493 -9.227 9.884 1.00 0.00 C ATOM 734 CD GLU A 48 -2.581 -10.287 10.066 1.00 0.00 C ATOM 735 OE1 GLU A 48 -2.838 -11.076 9.146 1.00 0.00 O ATOM 736 OE2 GLU A 48 -3.168 -10.273 11.215 1.00 0.00 O ATOM 0 H GLU A 48 0.329 -7.233 7.579 1.00 0.00 H new ATOM 0 HA GLU A 48 0.299 -9.920 8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.449 -7.629 8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.364 -9.032 7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.523 -9.647 10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.675 -8.394 10.563 1.00 0.00 H new ATOM 744 N GLU A 49 -0.772 -9.319 5.355 1.00 0.00 N ATOM 745 CA GLU A 49 -1.155 -9.939 4.097 1.00 0.00 C ATOM 746 C GLU A 49 -0.199 -11.084 3.758 1.00 0.00 C ATOM 747 O GLU A 49 -0.619 -12.112 3.228 1.00 0.00 O ATOM 748 CB GLU A 49 -1.198 -8.907 2.968 1.00 0.00 C ATOM 749 CG GLU A 49 -1.883 -9.482 1.727 1.00 0.00 C ATOM 750 CD GLU A 49 -3.240 -10.092 2.082 1.00 0.00 C ATOM 751 OE1 GLU A 49 -4.280 -9.442 1.900 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.191 -11.288 2.563 1.00 0.00 O ATOM 0 H GLU A 49 -0.625 -8.311 5.306 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.159 -10.350 4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.732 -8.018 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.184 -8.595 2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.017 -8.696 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.246 -10.242 1.275 1.00 0.00 H new ATOM 760 N PHE A 50 1.069 -10.868 4.076 1.00 0.00 N ATOM 761 CA PHE A 50 2.088 -11.870 3.811 1.00 0.00 C ATOM 762 C PHE A 50 3.168 -11.852 4.894 1.00 0.00 C ATOM 763 O PHE A 50 3.161 -12.688 5.796 1.00 0.00 O ATOM 764 CB PHE A 50 2.725 -11.514 2.466 1.00 0.00 C ATOM 765 CG PHE A 50 2.334 -12.455 1.324 1.00 0.00 C ATOM 766 CD1 PHE A 50 2.675 -13.771 1.381 1.00 0.00 C ATOM 767 CD2 PHE A 50 1.646 -11.977 0.253 1.00 0.00 C ATOM 768 CE1 PHE A 50 2.312 -14.644 0.321 1.00 0.00 C ATOM 769 CE2 PHE A 50 1.284 -12.850 -0.806 1.00 0.00 C ATOM 770 CZ PHE A 50 1.624 -14.165 -0.750 1.00 0.00 C ATOM 0 H PHE A 50 1.414 -10.014 4.515 1.00 0.00 H new ATOM 0 HA PHE A 50 1.640 -12.864 3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.440 -10.497 2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.809 -11.523 2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.221 -14.151 2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.375 -10.933 0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.582 -15.689 0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.738 -12.469 -1.657 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.348 -14.829 -1.556 1.00 0.00 H new ATOM 780 N ASP A 51 4.071 -10.891 4.768 1.00 0.00 N ATOM 781 CA ASP A 51 5.156 -10.754 5.725 1.00 0.00 C ATOM 782 C ASP A 51 6.292 -9.948 5.090 1.00 0.00 C ATOM 783 O ASP A 51 7.154 -10.510 4.416 1.00 0.00 O ATOM 784 CB ASP A 51 5.713 -12.121 6.126 1.00 0.00 C ATOM 785 CG ASP A 51 5.270 -12.621 7.503 1.00 0.00 C ATOM 786 OD1 ASP A 51 4.667 -11.876 8.289 1.00 0.00 O ATOM 787 OD2 ASP A 51 5.572 -13.849 7.760 1.00 0.00 O ATOM 0 H ASP A 51 4.074 -10.200 4.018 1.00 0.00 H new ATOM 0 HA ASP A 51 4.764 -10.251 6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.413 -12.853 5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.802 -12.073 6.106 1.00 0.00 H new ATOM 793 N THR A 52 6.255 -8.646 5.328 1.00 0.00 N ATOM 794 CA THR A 52 7.271 -7.758 4.788 1.00 0.00 C ATOM 795 C THR A 52 7.147 -6.365 5.410 1.00 0.00 C ATOM 796 O THR A 52 6.366 -5.539 4.942 1.00 0.00 O ATOM 797 CB THR A 52 7.135 -7.756 3.264 1.00 0.00 C ATOM 798 OG1 THR A 52 8.325 -8.395 2.809 1.00 0.00 O ATOM 799 CG2 THR A 52 7.217 -6.348 2.670 1.00 0.00 C ATOM 0 H THR A 52 5.538 -8.184 5.887 1.00 0.00 H new ATOM 0 HA THR A 52 8.273 -8.105 5.040 1.00 0.00 H new ATOM 0 HB THR A 52 6.186 -8.213 2.984 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.374 -9.299 3.183 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.115 -6.404 1.586 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.415 -5.733 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 52 8.180 -5.903 2.921 1.00 0.00 H new ATOM 807 N GLU A 53 7.930 -6.149 6.457 1.00 0.00 N ATOM 808 CA GLU A 53 7.918 -4.871 7.149 1.00 0.00 C ATOM 809 C GLU A 53 8.423 -3.762 6.224 1.00 0.00 C ATOM 810 O GLU A 53 9.568 -3.327 6.337 1.00 0.00 O ATOM 811 CB GLU A 53 8.749 -4.935 8.433 1.00 0.00 C ATOM 812 CG GLU A 53 10.138 -5.515 8.159 1.00 0.00 C ATOM 813 CD GLU A 53 11.234 -4.563 8.642 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.965 -3.376 8.877 1.00 0.00 O ATOM 815 OE2 GLU A 53 12.401 -5.097 8.774 1.00 0.00 O ATOM 0 H GLU A 53 8.577 -6.837 6.843 1.00 0.00 H new ATOM 0 HA GLU A 53 6.890 -4.642 7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.846 -3.936 8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.235 -5.548 9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.240 -6.477 8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.255 -5.699 7.091 1.00 0.00 H new ATOM 823 N ILE A 54 7.544 -3.336 5.328 1.00 0.00 N ATOM 824 CA ILE A 54 7.887 -2.286 4.384 1.00 0.00 C ATOM 825 C ILE A 54 8.427 -1.076 5.148 1.00 0.00 C ATOM 826 O ILE A 54 7.678 -0.389 5.841 1.00 0.00 O ATOM 827 CB ILE A 54 6.691 -1.963 3.486 1.00 0.00 C ATOM 828 CG1 ILE A 54 6.921 -0.661 2.715 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.392 -1.930 4.293 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.355 -0.583 2.187 1.00 0.00 C ATOM 0 H ILE A 54 6.595 -3.699 5.236 1.00 0.00 H new ATOM 0 HA ILE A 54 8.679 -2.619 3.714 1.00 0.00 H new ATOM 0 HB ILE A 54 6.591 -2.760 2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.219 -0.598 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.722 0.191 3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.558 -1.698 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.227 -2.902 4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.464 -1.166 5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.492 0.352 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.053 -0.622 3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.543 -1.423 1.518 1.00 0.00 H new ATOM 842 N PRO A 55 9.758 -0.845 4.992 1.00 0.00 N ATOM 843 CA PRO A 55 10.408 0.271 5.659 1.00 0.00 C ATOM 844 C PRO A 55 10.063 1.595 4.974 1.00 0.00 C ATOM 845 O PRO A 55 9.921 1.648 3.753 1.00 0.00 O ATOM 846 CB PRO A 55 11.892 -0.053 5.612 1.00 0.00 C ATOM 847 CG PRO A 55 12.057 -1.098 4.520 1.00 0.00 C ATOM 848 CD PRO A 55 10.677 -1.637 4.180 1.00 0.00 C ATOM 0 HA PRO A 55 10.074 0.398 6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.479 0.838 5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.239 -0.434 6.573 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.523 -0.659 3.638 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.709 -1.904 4.858 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.460 -1.528 3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.598 -2.699 4.414 1.00 0.00 H new ATOM 856 N ASP A 56 9.938 2.631 5.790 1.00 0.00 N ATOM 857 CA ASP A 56 9.612 3.951 5.278 1.00 0.00 C ATOM 858 C ASP A 56 10.616 4.333 4.188 1.00 0.00 C ATOM 859 O ASP A 56 10.227 4.790 3.114 1.00 0.00 O ATOM 860 CB ASP A 56 9.691 5.006 6.384 1.00 0.00 C ATOM 861 CG ASP A 56 10.936 4.922 7.270 1.00 0.00 C ATOM 862 OD1 ASP A 56 11.093 3.982 8.063 1.00 0.00 O ATOM 863 OD2 ASP A 56 11.779 5.887 7.118 1.00 0.00 O ATOM 0 H ASP A 56 10.057 2.583 6.802 1.00 0.00 H new ATOM 0 HA ASP A 56 8.597 3.918 4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.656 5.994 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.807 4.916 7.016 1.00 0.00 H new ATOM 869 N GLU A 57 11.887 4.131 4.502 1.00 0.00 N ATOM 870 CA GLU A 57 12.949 4.449 3.563 1.00 0.00 C ATOM 871 C GLU A 57 12.636 3.857 2.187 1.00 0.00 C ATOM 872 O GLU A 57 13.145 4.332 1.173 1.00 0.00 O ATOM 873 CB GLU A 57 14.302 3.953 4.078 1.00 0.00 C ATOM 874 CG GLU A 57 14.315 2.428 4.206 1.00 0.00 C ATOM 875 CD GLU A 57 15.410 1.813 3.332 1.00 0.00 C ATOM 876 OE1 GLU A 57 15.448 2.063 2.118 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.243 1.052 3.958 1.00 0.00 O ATOM 0 H GLU A 57 12.205 3.751 5.393 1.00 0.00 H new ATOM 0 HA GLU A 57 13.009 5.533 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.093 4.271 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.514 4.405 5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.476 2.148 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.344 2.027 3.915 1.00 0.00 H new ATOM 885 N GLU A 58 11.798 2.831 2.197 1.00 0.00 N ATOM 886 CA GLU A 58 11.411 2.170 0.962 1.00 0.00 C ATOM 887 C GLU A 58 9.937 2.442 0.655 1.00 0.00 C ATOM 888 O GLU A 58 9.500 2.297 -0.486 1.00 0.00 O ATOM 889 CB GLU A 58 11.687 0.666 1.035 1.00 0.00 C ATOM 890 CG GLU A 58 12.644 0.231 -0.077 1.00 0.00 C ATOM 891 CD GLU A 58 11.872 -0.264 -1.302 1.00 0.00 C ATOM 892 OE1 GLU A 58 10.891 -1.009 -1.158 1.00 0.00 O ATOM 893 OE2 GLU A 58 12.324 0.154 -2.436 1.00 0.00 O ATOM 0 H GLU A 58 11.376 2.441 3.040 1.00 0.00 H new ATOM 0 HA GLU A 58 12.013 2.578 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.115 0.418 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.750 0.116 0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.283 1.067 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.298 -0.560 0.290 1.00 0.00 H new ATOM 901 N ALA A 59 9.211 2.831 1.692 1.00 0.00 N ATOM 902 CA ALA A 59 7.795 3.125 1.547 1.00 0.00 C ATOM 903 C ALA A 59 7.603 4.638 1.426 1.00 0.00 C ATOM 904 O ALA A 59 6.480 5.133 1.514 1.00 0.00 O ATOM 905 CB ALA A 59 7.027 2.532 2.730 1.00 0.00 C ATOM 0 H ALA A 59 9.576 2.950 2.637 1.00 0.00 H new ATOM 0 HA ALA A 59 7.399 2.669 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.965 2.752 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.173 1.452 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.395 2.969 3.658 1.00 0.00 H new ATOM 911 N GLU A 60 8.715 5.330 1.226 1.00 0.00 N ATOM 912 CA GLU A 60 8.682 6.776 1.091 1.00 0.00 C ATOM 913 C GLU A 60 8.841 7.177 -0.377 1.00 0.00 C ATOM 914 O GLU A 60 8.413 8.257 -0.779 1.00 0.00 O ATOM 915 CB GLU A 60 9.760 7.431 1.958 1.00 0.00 C ATOM 916 CG GLU A 60 9.487 8.927 2.135 1.00 0.00 C ATOM 917 CD GLU A 60 10.601 9.596 2.942 1.00 0.00 C ATOM 918 OE1 GLU A 60 11.323 8.915 3.685 1.00 0.00 O ATOM 919 OE2 GLU A 60 10.705 10.871 2.775 1.00 0.00 O ATOM 0 H GLU A 60 9.644 4.916 1.154 1.00 0.00 H new ATOM 0 HA GLU A 60 7.713 7.132 1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.792 6.946 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.738 7.288 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.405 9.403 1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.532 9.069 2.640 1.00 0.00 H new ATOM 927 N LYS A 61 9.458 6.284 -1.137 1.00 0.00 N ATOM 928 CA LYS A 61 9.679 6.531 -2.552 1.00 0.00 C ATOM 929 C LYS A 61 8.494 5.986 -3.351 1.00 0.00 C ATOM 930 O LYS A 61 8.405 6.199 -4.559 1.00 0.00 O ATOM 931 CB LYS A 61 11.030 5.963 -2.990 1.00 0.00 C ATOM 932 CG LYS A 61 11.227 4.542 -2.458 1.00 0.00 C ATOM 933 CD LYS A 61 12.291 3.797 -3.265 1.00 0.00 C ATOM 934 CE LYS A 61 13.529 3.515 -2.411 1.00 0.00 C ATOM 935 NZ LYS A 61 14.753 3.559 -3.242 1.00 0.00 N ATOM 0 H LYS A 61 9.812 5.389 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 61 9.731 7.602 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.091 5.959 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.833 6.605 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.521 4.580 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.283 3.998 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.880 2.859 -3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.573 4.389 -4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.600 4.250 -1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.438 2.537 -1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.584 3.366 -2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.689 2.841 -3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.847 4.501 -3.672 1.00 0.00 H new ATOM 948 N ILE A 62 7.613 5.293 -2.645 1.00 0.00 N ATOM 949 CA ILE A 62 6.437 4.715 -3.273 1.00 0.00 C ATOM 950 C ILE A 62 5.402 5.815 -3.516 1.00 0.00 C ATOM 951 O ILE A 62 4.952 6.011 -4.644 1.00 0.00 O ATOM 952 CB ILE A 62 5.907 3.544 -2.444 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.384 4.024 -1.089 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.970 2.453 -2.294 1.00 0.00 C ATOM 955 CD1 ILE A 62 5.017 2.840 -0.192 1.00 0.00 C ATOM 0 H ILE A 62 7.690 5.119 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 62 6.692 4.296 -4.246 1.00 0.00 H new ATOM 0 HB ILE A 62 5.065 3.102 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.142 4.635 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.510 4.658 -1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.568 1.632 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.254 2.083 -3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.847 2.866 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.648 3.209 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.242 2.245 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.899 2.222 -0.027 1.00 0.00 H new ATOM 967 N THR A 63 5.054 6.504 -2.439 1.00 0.00 N ATOM 968 CA THR A 63 4.080 7.579 -2.521 1.00 0.00 C ATOM 969 C THR A 63 2.925 7.183 -3.443 1.00 0.00 C ATOM 970 O THR A 63 2.287 8.043 -4.048 1.00 0.00 O ATOM 971 CB THR A 63 4.810 8.846 -2.972 1.00 0.00 C ATOM 972 OG1 THR A 63 5.218 8.555 -4.306 1.00 0.00 O ATOM 973 CG2 THR A 63 6.125 9.063 -2.220 1.00 0.00 C ATOM 0 H THR A 63 5.429 6.339 -1.505 1.00 0.00 H new ATOM 0 HA THR A 63 3.627 7.776 -1.550 1.00 0.00 H new ATOM 0 HB THR A 63 4.161 9.710 -2.826 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.698 9.325 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.603 9.975 -2.578 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.923 9.154 -1.153 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.787 8.215 -2.393 1.00 0.00 H new ATOM 981 N THR A 64 2.691 5.881 -3.520 1.00 0.00 N ATOM 982 CA THR A 64 1.624 5.361 -4.357 1.00 0.00 C ATOM 983 C THR A 64 1.184 3.981 -3.864 1.00 0.00 C ATOM 984 O THR A 64 1.797 3.416 -2.960 1.00 0.00 O ATOM 985 CB THR A 64 2.118 5.360 -5.806 1.00 0.00 C ATOM 986 OG1 THR A 64 3.349 4.644 -5.752 1.00 0.00 O ATOM 987 CG2 THR A 64 2.519 6.755 -6.289 1.00 0.00 C ATOM 0 H THR A 64 3.222 5.171 -3.016 1.00 0.00 H new ATOM 0 HA THR A 64 0.735 5.990 -4.302 1.00 0.00 H new ATOM 0 HB THR A 64 1.338 4.962 -6.455 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.091 5.276 -5.652 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.862 6.698 -7.322 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.659 7.422 -6.228 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.322 7.140 -5.661 1.00 0.00 H new ATOM 995 N VAL A 65 0.124 3.479 -4.480 1.00 0.00 N ATOM 996 CA VAL A 65 -0.406 2.176 -4.115 1.00 0.00 C ATOM 997 C VAL A 65 0.282 1.097 -4.954 1.00 0.00 C ATOM 998 O VAL A 65 0.622 0.031 -4.444 1.00 0.00 O ATOM 999 CB VAL A 65 -1.929 2.169 -4.266 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.553 1.018 -3.473 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.527 3.513 -3.845 1.00 0.00 C ATOM 0 H VAL A 65 -0.382 3.951 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.195 1.958 -3.068 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.161 2.014 -5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.636 1.036 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.161 0.069 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.307 1.128 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.610 3.482 -3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.280 3.710 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.117 4.306 -4.471 1.00 0.00 H new ATOM 1011 N GLN A 66 0.467 1.411 -6.228 1.00 0.00 N ATOM 1012 CA GLN A 66 1.109 0.482 -7.143 1.00 0.00 C ATOM 1013 C GLN A 66 2.473 0.056 -6.596 1.00 0.00 C ATOM 1014 O GLN A 66 2.750 -1.136 -6.469 1.00 0.00 O ATOM 1015 CB GLN A 66 1.244 1.093 -8.539 1.00 0.00 C ATOM 1016 CG GLN A 66 2.031 0.167 -9.469 1.00 0.00 C ATOM 1017 CD GLN A 66 1.729 -1.302 -9.163 1.00 0.00 C ATOM 1018 OE1 GLN A 66 2.601 -2.084 -8.823 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.448 -1.631 -9.303 1.00 0.00 N ATOM 0 H GLN A 66 0.183 2.296 -6.648 1.00 0.00 H new ATOM 0 HA GLN A 66 0.481 -0.405 -7.230 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.254 1.278 -8.956 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.746 2.058 -8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.777 0.386 -10.506 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.099 0.354 -9.356 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.231 -0.926 -9.591 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.145 -2.588 -9.122 1.00 0.00 H new ATOM 1028 N ALA A 67 3.289 1.053 -6.287 1.00 0.00 N ATOM 1029 CA ALA A 67 4.617 0.796 -5.757 1.00 0.00 C ATOM 1030 C ALA A 67 4.545 -0.350 -4.746 1.00 0.00 C ATOM 1031 O ALA A 67 5.201 -1.377 -4.919 1.00 0.00 O ATOM 1032 CB ALA A 67 5.180 2.080 -5.144 1.00 0.00 C ATOM 0 H ALA A 67 3.056 2.040 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 67 5.295 0.491 -6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.176 1.887 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.238 2.854 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.527 2.416 -4.339 1.00 0.00 H new ATOM 1038 N ALA A 68 3.743 -0.136 -3.714 1.00 0.00 N ATOM 1039 CA ALA A 68 3.577 -1.139 -2.675 1.00 0.00 C ATOM 1040 C ALA A 68 3.444 -2.519 -3.321 1.00 0.00 C ATOM 1041 O ALA A 68 3.996 -3.498 -2.821 1.00 0.00 O ATOM 1042 CB ALA A 68 2.368 -0.781 -1.809 1.00 0.00 C ATOM 0 H ALA A 68 3.201 0.717 -3.574 1.00 0.00 H new ATOM 0 HA ALA A 68 4.450 -1.164 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.243 -1.533 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.526 0.195 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.472 -0.750 -2.430 1.00 0.00 H new ATOM 1048 N ILE A 69 2.708 -2.553 -4.422 1.00 0.00 N ATOM 1049 CA ILE A 69 2.495 -3.797 -5.142 1.00 0.00 C ATOM 1050 C ILE A 69 3.758 -4.147 -5.931 1.00 0.00 C ATOM 1051 O ILE A 69 4.360 -5.197 -5.712 1.00 0.00 O ATOM 1052 CB ILE A 69 1.235 -3.708 -6.005 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.004 -3.455 -5.143 1.00 0.00 C ATOM 1054 CG2 ILE A 69 1.079 -4.955 -6.879 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.991 -2.532 -5.860 1.00 0.00 C ATOM 0 H ILE A 69 2.252 -1.739 -4.833 1.00 0.00 H new ATOM 0 HA ILE A 69 2.318 -4.615 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 69 1.341 -2.855 -6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.490 -4.403 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.294 -3.009 -4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.176 -4.866 -7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.945 -5.051 -7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.005 -5.838 -6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.862 -2.368 -5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.510 -1.577 -6.069 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.305 -2.993 -6.797 1.00 0.00 H new ATOM 1067 N ASP A 70 4.121 -3.248 -6.834 1.00 0.00 N ATOM 1068 CA ASP A 70 5.301 -3.449 -7.657 1.00 0.00 C ATOM 1069 C ASP A 70 6.474 -3.864 -6.767 1.00 0.00 C ATOM 1070 O ASP A 70 7.417 -4.502 -7.234 1.00 0.00 O ATOM 1071 CB ASP A 70 5.692 -2.160 -8.383 1.00 0.00 C ATOM 1072 CG ASP A 70 6.780 -2.321 -9.446 1.00 0.00 C ATOM 1073 OD1 ASP A 70 7.903 -1.817 -9.292 1.00 0.00 O ATOM 1074 OD2 ASP A 70 6.433 -3.006 -10.483 1.00 0.00 O ATOM 0 H ASP A 70 3.619 -2.379 -7.014 1.00 0.00 H new ATOM 0 HA ASP A 70 5.072 -4.222 -8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.803 -1.743 -8.855 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.031 -1.434 -7.645 1.00 0.00 H new ATOM 1080 N TYR A 71 6.378 -3.485 -5.501 1.00 0.00 N ATOM 1081 CA TYR A 71 7.420 -3.810 -4.542 1.00 0.00 C ATOM 1082 C TYR A 71 7.218 -5.213 -3.967 1.00 0.00 C ATOM 1083 O TYR A 71 8.136 -6.032 -3.981 1.00 0.00 O ATOM 1084 CB TYR A 71 7.288 -2.785 -3.413 1.00 0.00 C ATOM 1085 CG TYR A 71 7.764 -3.295 -2.051 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.092 -3.619 -1.862 1.00 0.00 C ATOM 1087 CD2 TYR A 71 6.866 -3.431 -1.012 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.540 -4.099 -0.580 1.00 0.00 C ATOM 1089 CE2 TYR A 71 7.314 -3.911 0.269 1.00 0.00 C ATOM 1090 CZ TYR A 71 8.629 -4.221 0.422 1.00 0.00 C ATOM 1091 OH TYR A 71 9.052 -4.675 1.632 1.00 0.00 O ATOM 0 H TYR A 71 5.595 -2.956 -5.117 1.00 0.00 H new ATOM 0 HA TYR A 71 8.401 -3.785 -5.017 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.859 -1.895 -3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.244 -2.482 -3.331 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.795 -3.513 -2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.827 -3.177 -1.160 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.576 -4.356 -0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.621 -4.022 1.090 1.00 0.00 H new ATOM 0 HH TYR A 71 9.476 -3.943 2.126 1.00 0.00 H new ATOM 1101 N ILE A 72 6.010 -5.448 -3.476 1.00 0.00 N ATOM 1102 CA ILE A 72 5.675 -6.739 -2.898 1.00 0.00 C ATOM 1103 C ILE A 72 5.898 -7.834 -3.943 1.00 0.00 C ATOM 1104 O ILE A 72 6.272 -8.955 -3.603 1.00 0.00 O ATOM 1105 CB ILE A 72 4.258 -6.717 -2.323 1.00 0.00 C ATOM 1106 CG1 ILE A 72 4.199 -5.880 -1.043 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.733 -8.137 -2.104 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.561 -6.724 0.181 1.00 0.00 C ATOM 0 H ILE A 72 5.251 -4.767 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 72 6.332 -6.962 -2.057 1.00 0.00 H new ATOM 0 HB ILE A 72 3.601 -6.240 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.885 -5.037 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.198 -5.466 -0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.724 -8.093 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.716 -8.669 -3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.385 -8.662 -1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.511 -6.105 1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.858 -7.552 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.571 -7.116 0.066 1.00 0.00 H new ATOM 1120 N ASN A 73 5.658 -7.471 -5.195 1.00 0.00 N ATOM 1121 CA ASN A 73 5.827 -8.409 -6.291 1.00 0.00 C ATOM 1122 C ASN A 73 7.319 -8.672 -6.506 1.00 0.00 C ATOM 1123 O ASN A 73 7.715 -9.788 -6.838 1.00 0.00 O ATOM 1124 CB ASN A 73 5.256 -7.843 -7.593 1.00 0.00 C ATOM 1125 CG ASN A 73 4.095 -8.701 -8.100 1.00 0.00 C ATOM 1126 OD1 ASN A 73 4.277 -9.713 -8.757 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.894 -8.241 -7.760 1.00 0.00 N ATOM 0 H ASN A 73 5.348 -6.540 -5.474 1.00 0.00 H new ATOM 0 HA ASN A 73 5.299 -9.327 -6.033 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.914 -6.821 -7.430 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.039 -7.800 -8.350 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.055 -8.742 -8.051 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.812 -7.387 -7.208 1.00 0.00 H new ATOM 1134 N GLY A 74 8.107 -7.626 -6.306 1.00 0.00 N ATOM 1135 CA GLY A 74 9.547 -7.730 -6.473 1.00 0.00 C ATOM 1136 C GLY A 74 10.218 -8.178 -5.174 1.00 0.00 C ATOM 1137 O GLY A 74 11.444 -8.258 -5.100 1.00 0.00 O ATOM 0 H GLY A 74 7.776 -6.702 -6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.774 -8.441 -7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.952 -6.766 -6.782 1.00 0.00 H new ATOM 1141 N HIS A 75 9.387 -8.459 -4.181 1.00 0.00 N ATOM 1142 CA HIS A 75 9.885 -8.896 -2.889 1.00 0.00 C ATOM 1143 C HIS A 75 8.988 -10.010 -2.343 1.00 0.00 C ATOM 1144 O HIS A 75 8.617 -9.994 -1.171 1.00 0.00 O ATOM 1145 CB HIS A 75 10.013 -7.713 -1.927 1.00 0.00 C ATOM 1146 CG HIS A 75 11.043 -7.913 -0.841 1.00 0.00 C ATOM 1147 ND1 HIS A 75 10.736 -8.462 0.392 1.00 0.00 N ATOM 1148 CD2 HIS A 75 12.378 -7.633 -0.816 1.00 0.00 C ATOM 1149 CE1 HIS A 75 11.844 -8.505 1.118 1.00 0.00 C ATOM 1150 NE2 HIS A 75 12.860 -7.990 0.368 1.00 0.00 N ATOM 0 H HIS A 75 8.371 -8.392 -4.246 1.00 0.00 H new ATOM 0 HA HIS A 75 10.888 -9.307 -3.002 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.270 -6.820 -2.497 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.044 -7.528 -1.464 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.946 -7.195 -1.623 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.928 -8.882 2.127 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.830 -7.895 0.668 1.00 0.00 H new