USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 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 34 TYR OH : rot 120:sc= 0.00723 USER MOD Set 1.2: A 72 MET CE :methyl -175:sc= -0.13 (180deg=-0.176) USER MOD Set 2.1: A 49 ASN :FLIP amide:sc= 0.584 F(o=-0.17,f=0.68) USER MOD Set 2.2: A 56 GLN :FLIP amide:sc= 0.0988 F(o=-0.17,f=0.68) USER MOD Set 3.1: A 48 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 50 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 14 TYR OH : rot 50:sc= -0.674 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 20 GLN : amide:sc= 0.16 K(o=0.16,f=-0.41) USER MOD Single : A 21 THR OG1 : rot -31:sc= 0.583 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 152:sc= -0.731 (180deg=-2.11) USER MOD Single : A 30 MET CE :methyl -147:sc= -0.611 (180deg=-2.24!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.53 F(o=-3.5!,f=-1.5) USER MOD Single : A 60 GLN : amide:sc= -0.0591 K(o=-0.059,f=-0.69) USER MOD Single : A 61 SER OG : rot 115:sc= -0.0146 USER MOD Single : A 62 THR OG1 : rot -165:sc= 0.403 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.502 USER MOD Single : A 69 HIS : no HD1:sc= -0.53 X(o=-0.53,f=-0.99) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.22 F(o=-1.2,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 14 -12.093 5.009 -5.018 1.00 0.00 N ATOM 2 CA TYR A 14 -10.987 5.464 -4.142 1.00 0.00 C ATOM 3 C TYR A 14 -9.654 4.777 -4.501 1.00 0.00 C ATOM 4 O TYR A 14 -8.588 5.360 -4.312 1.00 0.00 O ATOM 5 CB TYR A 14 -11.355 5.214 -2.649 1.00 0.00 C ATOM 6 CG TYR A 14 -10.269 5.612 -1.627 1.00 0.00 C ATOM 7 CD1 TYR A 14 -9.965 6.956 -1.386 1.00 0.00 C ATOM 8 CD2 TYR A 14 -9.545 4.643 -0.913 1.00 0.00 C ATOM 9 CE1 TYR A 14 -8.991 7.319 -0.472 1.00 0.00 C ATOM 10 CE2 TYR A 14 -8.571 5.000 0.005 1.00 0.00 C ATOM 11 CZ TYR A 14 -8.296 6.345 0.220 1.00 0.00 C ATOM 12 OH TYR A 14 -7.324 6.722 1.122 1.00 0.00 O ATOM 0 HA TYR A 14 -10.849 6.534 -4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.267 5.766 -2.419 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.582 4.156 -2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.500 7.725 -1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.752 3.597 -1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.774 8.363 -0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.030 4.240 0.549 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.686 7.403 1.727 1.00 0.00 H new ATOM 22 N GLY A 15 -9.741 3.550 -5.037 1.00 0.00 N ATOM 23 CA GLY A 15 -8.558 2.796 -5.450 1.00 0.00 C ATOM 24 C GLY A 15 -7.882 3.394 -6.665 1.00 0.00 C ATOM 25 O GLY A 15 -6.655 3.505 -6.731 1.00 0.00 O ATOM 0 H GLY A 15 -10.623 3.062 -5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.848 2.761 -4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.845 1.767 -5.668 1.00 0.00 H new ATOM 29 N GLU A 16 -8.700 3.804 -7.618 1.00 0.00 N ATOM 30 CA GLU A 16 -8.237 4.478 -8.829 1.00 0.00 C ATOM 31 C GLU A 16 -7.716 5.874 -8.463 1.00 0.00 C ATOM 32 O GLU A 16 -6.740 6.329 -9.038 1.00 0.00 O ATOM 33 CB GLU A 16 -9.389 4.543 -9.865 1.00 0.00 C ATOM 34 CG GLU A 16 -9.680 3.215 -10.601 1.00 0.00 C ATOM 35 CD GLU A 16 -9.920 1.996 -9.685 1.00 0.00 C ATOM 36 OE1 GLU A 16 -10.749 2.093 -8.751 1.00 0.00 O ATOM 37 OE2 GLU A 16 -9.295 0.939 -9.902 1.00 0.00 O ATOM 0 H GLU A 16 -9.712 3.680 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.418 3.920 -9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.297 4.866 -9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.150 5.307 -10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.557 3.353 -11.233 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.842 2.993 -11.262 1.00 0.00 H new ATOM 44 N TYR A 17 -8.356 6.503 -7.455 1.00 0.00 N ATOM 45 CA TYR A 17 -7.975 7.834 -6.962 1.00 0.00 C ATOM 46 C TYR A 17 -6.574 7.829 -6.317 1.00 0.00 C ATOM 47 O TYR A 17 -5.740 8.676 -6.663 1.00 0.00 O ATOM 48 CB TYR A 17 -9.037 8.342 -5.948 1.00 0.00 C ATOM 49 CG TYR A 17 -8.605 9.578 -5.136 1.00 0.00 C ATOM 50 CD1 TYR A 17 -8.416 10.819 -5.753 1.00 0.00 C ATOM 51 CD2 TYR A 17 -8.351 9.489 -3.761 1.00 0.00 C ATOM 52 CE1 TYR A 17 -8.001 11.918 -5.028 1.00 0.00 C ATOM 53 CE2 TYR A 17 -7.936 10.587 -3.036 1.00 0.00 C ATOM 54 CZ TYR A 17 -7.764 11.800 -3.672 1.00 0.00 C ATOM 55 OH TYR A 17 -7.354 12.902 -2.954 1.00 0.00 O ATOM 0 H TYR A 17 -9.152 6.098 -6.962 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.935 8.510 -7.816 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -9.953 8.580 -6.489 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.276 7.534 -5.256 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.598 10.919 -6.813 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.483 8.542 -3.259 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.862 12.869 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.747 10.498 -1.976 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.232 12.653 -2.014 1.00 0.00 H new ATOM 65 N VAL A 18 -6.322 6.870 -5.392 1.00 0.00 N ATOM 66 CA VAL A 18 -5.023 6.767 -4.688 1.00 0.00 C ATOM 67 C VAL A 18 -3.887 6.558 -5.691 1.00 0.00 C ATOM 68 O VAL A 18 -2.865 7.207 -5.578 1.00 0.00 O ATOM 69 CB VAL A 18 -4.978 5.655 -3.558 1.00 0.00 C ATOM 70 CG1 VAL A 18 -5.952 5.992 -2.413 1.00 0.00 C ATOM 71 CG2 VAL A 18 -5.254 4.245 -4.105 1.00 0.00 C ATOM 0 H VAL A 18 -7.000 6.159 -5.118 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.892 7.717 -4.170 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.961 5.652 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.902 5.214 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.677 6.950 -1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.967 6.051 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.211 3.523 -3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.244 4.219 -4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.503 3.992 -4.853 1.00 0.00 H new ATOM 81 N GLN A 19 -4.145 5.748 -6.739 1.00 0.00 N ATOM 82 CA GLN A 19 -3.165 5.466 -7.809 1.00 0.00 C ATOM 83 C GLN A 19 -2.639 6.769 -8.453 1.00 0.00 C ATOM 84 O GLN A 19 -1.453 6.878 -8.779 1.00 0.00 O ATOM 85 CB GLN A 19 -3.821 4.559 -8.894 1.00 0.00 C ATOM 86 CG GLN A 19 -2.904 4.191 -10.085 1.00 0.00 C ATOM 87 CD GLN A 19 -3.591 3.338 -11.159 1.00 0.00 C ATOM 88 OE1 GLN A 19 -4.493 2.544 -10.876 1.00 0.00 O ATOM 89 NE2 GLN A 19 -3.165 3.496 -12.402 1.00 0.00 N ATOM 0 H GLN A 19 -5.038 5.271 -6.867 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.315 4.949 -7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.160 3.638 -8.419 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.707 5.064 -9.280 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.536 5.108 -10.544 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.035 3.652 -9.708 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.418 4.160 -12.604 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.584 2.954 -13.158 1.00 0.00 H new ATOM 98 N GLN A 20 -3.535 7.771 -8.562 1.00 0.00 N ATOM 99 CA GLN A 20 -3.257 9.025 -9.281 1.00 0.00 C ATOM 100 C GLN A 20 -2.480 10.032 -8.424 1.00 0.00 C ATOM 101 O GLN A 20 -1.630 10.758 -8.948 1.00 0.00 O ATOM 102 CB GLN A 20 -4.568 9.669 -9.796 1.00 0.00 C ATOM 103 CG GLN A 20 -5.533 8.696 -10.498 1.00 0.00 C ATOM 104 CD GLN A 20 -4.885 7.789 -11.561 1.00 0.00 C ATOM 105 OE1 GLN A 20 -3.929 8.170 -12.234 1.00 0.00 O ATOM 106 NE2 GLN A 20 -5.413 6.581 -11.721 1.00 0.00 N ATOM 0 H GLN A 20 -4.469 7.731 -8.154 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.628 8.763 -10.132 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.086 10.128 -8.954 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.314 10.471 -10.490 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.003 8.066 -9.743 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.327 9.274 -10.971 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.206 6.291 -11.149 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.025 5.943 -12.416 1.00 0.00 H new ATOM 115 N THR A 21 -2.778 10.073 -7.116 1.00 0.00 N ATOM 116 CA THR A 21 -2.237 11.107 -6.199 1.00 0.00 C ATOM 117 C THR A 21 -1.194 10.523 -5.209 1.00 0.00 C ATOM 118 O THR A 21 -0.686 11.238 -4.342 1.00 0.00 O ATOM 119 CB THR A 21 -3.420 11.821 -5.445 1.00 0.00 C ATOM 120 OG1 THR A 21 -2.942 12.849 -4.550 1.00 0.00 O ATOM 121 CG2 THR A 21 -4.286 10.821 -4.672 1.00 0.00 C ATOM 0 H THR A 21 -3.394 9.400 -6.660 1.00 0.00 H new ATOM 0 HA THR A 21 -1.706 11.848 -6.796 1.00 0.00 H new ATOM 0 HB THR A 21 -4.035 12.290 -6.213 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.058 12.600 -4.208 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.091 11.353 -4.165 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.710 10.095 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.673 10.303 -3.935 1.00 0.00 H new ATOM 129 N LEU A 22 -0.855 9.229 -5.355 1.00 0.00 N ATOM 130 CA LEU A 22 0.128 8.563 -4.470 1.00 0.00 C ATOM 131 C LEU A 22 1.562 8.792 -5.005 1.00 0.00 C ATOM 132 O LEU A 22 1.897 8.365 -6.118 1.00 0.00 O ATOM 133 CB LEU A 22 -0.203 7.051 -4.349 1.00 0.00 C ATOM 134 CG LEU A 22 0.651 6.197 -3.374 1.00 0.00 C ATOM 135 CD1 LEU A 22 0.799 6.863 -1.989 1.00 0.00 C ATOM 136 CD2 LEU A 22 0.065 4.761 -3.265 1.00 0.00 C ATOM 0 H LEU A 22 -1.245 8.621 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 22 0.071 8.997 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.246 6.960 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.119 6.610 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 22 1.658 6.127 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.404 6.228 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.284 7.833 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.186 6.999 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.672 4.171 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.958 4.813 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.069 4.291 -4.248 1.00 0.00 H new ATOM 148 N GLN A 23 2.380 9.489 -4.200 1.00 0.00 N ATOM 149 CA GLN A 23 3.745 9.924 -4.575 1.00 0.00 C ATOM 150 C GLN A 23 4.805 8.873 -4.147 1.00 0.00 C ATOM 151 O GLN A 23 4.704 8.322 -3.039 1.00 0.00 O ATOM 152 CB GLN A 23 4.039 11.279 -3.885 1.00 0.00 C ATOM 153 CG GLN A 23 3.075 12.424 -4.263 1.00 0.00 C ATOM 154 CD GLN A 23 3.341 13.000 -5.642 1.00 0.00 C ATOM 155 OE1 GLN A 23 2.757 12.576 -6.639 1.00 0.00 O ATOM 156 NE2 GLN A 23 4.277 13.933 -5.701 1.00 0.00 N ATOM 0 H GLN A 23 2.113 9.772 -3.257 1.00 0.00 H new ATOM 0 HA GLN A 23 3.800 10.030 -5.658 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.003 11.135 -2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.056 11.583 -4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.050 12.056 -4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.158 13.219 -3.522 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.733 14.253 -4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.543 14.333 -6.601 1.00 0.00 H new ATOM 165 N PRO A 24 5.826 8.558 -5.016 1.00 0.00 N ATOM 166 CA PRO A 24 6.912 7.601 -4.677 1.00 0.00 C ATOM 167 C PRO A 24 7.844 8.147 -3.576 1.00 0.00 C ATOM 168 O PRO A 24 8.788 8.893 -3.856 1.00 0.00 O ATOM 169 CB PRO A 24 7.655 7.365 -6.034 1.00 0.00 C ATOM 170 CG PRO A 24 6.749 7.957 -7.081 1.00 0.00 C ATOM 171 CD PRO A 24 6.001 9.076 -6.393 1.00 0.00 C ATOM 0 HA PRO A 24 6.529 6.670 -4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.632 7.848 -6.038 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.824 6.303 -6.212 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.323 8.333 -7.928 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.060 7.208 -7.471 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.567 10.008 -6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.044 9.278 -6.874 1.00 0.00 H new ATOM 179 N GLY A 25 7.522 7.812 -2.315 1.00 0.00 N ATOM 180 CA GLY A 25 8.319 8.227 -1.158 1.00 0.00 C ATOM 181 C GLY A 25 7.462 8.721 -0.003 1.00 0.00 C ATOM 182 O GLY A 25 7.981 8.969 1.092 1.00 0.00 O ATOM 0 H GLY A 25 6.706 7.249 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.927 7.388 -0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.006 9.018 -1.460 1.00 0.00 H new ATOM 186 N MET A 26 6.143 8.875 -0.245 1.00 0.00 N ATOM 187 CA MET A 26 5.174 9.208 0.815 1.00 0.00 C ATOM 188 C MET A 26 4.586 7.908 1.386 1.00 0.00 C ATOM 189 O MET A 26 4.705 6.834 0.769 1.00 0.00 O ATOM 190 CB MET A 26 4.038 10.154 0.313 1.00 0.00 C ATOM 191 CG MET A 26 3.010 9.527 -0.640 1.00 0.00 C ATOM 192 SD MET A 26 1.459 10.456 -0.744 1.00 0.00 S ATOM 193 CE MET A 26 2.010 12.161 -0.865 1.00 0.00 C ATOM 0 H MET A 26 5.726 8.773 -1.170 1.00 0.00 H new ATOM 0 HA MET A 26 5.703 9.752 1.597 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.508 10.544 1.182 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.497 11.005 -0.189 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.447 9.453 -1.636 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.794 8.511 -0.311 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.268 12.745 -1.410 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.135 12.575 0.136 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.962 12.199 -1.395 1.00 0.00 H new ATOM 203 N ARG A 27 3.908 8.023 2.535 1.00 0.00 N ATOM 204 CA ARG A 27 3.437 6.876 3.309 1.00 0.00 C ATOM 205 C ARG A 27 2.055 6.447 2.831 1.00 0.00 C ATOM 206 O ARG A 27 1.324 7.205 2.167 1.00 0.00 O ATOM 207 CB ARG A 27 3.384 7.184 4.839 1.00 0.00 C ATOM 208 CG ARG A 27 2.398 8.306 5.233 1.00 0.00 C ATOM 209 CD ARG A 27 2.098 8.360 6.734 1.00 0.00 C ATOM 210 NE ARG A 27 1.339 9.578 7.091 1.00 0.00 N ATOM 211 CZ ARG A 27 0.841 9.867 8.303 1.00 0.00 C ATOM 212 NH1 ARG A 27 0.947 9.019 9.314 1.00 0.00 N ATOM 213 NH2 ARG A 27 0.210 11.011 8.484 1.00 0.00 N ATOM 0 H ARG A 27 3.671 8.923 2.953 1.00 0.00 H new ATOM 0 HA ARG A 27 4.151 6.068 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.109 6.273 5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.383 7.461 5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.808 9.266 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.464 8.165 4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.529 7.477 7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.033 8.335 7.294 1.00 0.00 H new ATOM 0 HE ARG A 27 1.180 10.260 6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.416 8.123 9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.560 9.262 10.226 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.105 11.664 7.707 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.173 11.243 9.400 1.00 0.00 H new ATOM 227 N VAL A 28 1.705 5.220 3.211 1.00 0.00 N ATOM 228 CA VAL A 28 0.408 4.605 2.942 1.00 0.00 C ATOM 229 C VAL A 28 -0.114 4.000 4.255 1.00 0.00 C ATOM 230 O VAL A 28 0.573 4.038 5.281 1.00 0.00 O ATOM 231 CB VAL A 28 0.446 3.514 1.792 1.00 0.00 C ATOM 232 CG1 VAL A 28 1.161 4.052 0.526 1.00 0.00 C ATOM 233 CG2 VAL A 28 1.061 2.174 2.276 1.00 0.00 C ATOM 0 H VAL A 28 2.335 4.608 3.730 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.264 5.380 2.574 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.587 3.301 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.170 3.279 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.631 4.929 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.186 4.327 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.066 1.458 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.083 2.344 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.467 1.777 3.099 1.00 0.00 H new ATOM 243 N ARG A 29 -1.331 3.474 4.215 1.00 0.00 N ATOM 244 CA ARG A 29 -2.047 2.957 5.385 1.00 0.00 C ATOM 245 C ARG A 29 -2.864 1.716 4.940 1.00 0.00 C ATOM 246 O ARG A 29 -3.316 1.652 3.796 1.00 0.00 O ATOM 247 CB ARG A 29 -2.950 4.107 5.936 1.00 0.00 C ATOM 248 CG ARG A 29 -3.287 4.077 7.444 1.00 0.00 C ATOM 249 CD ARG A 29 -4.158 2.886 7.902 1.00 0.00 C ATOM 250 NE ARG A 29 -5.014 3.231 9.054 1.00 0.00 N ATOM 251 CZ ARG A 29 -4.592 3.650 10.259 1.00 0.00 C ATOM 252 NH1 ARG A 29 -3.304 3.647 10.587 1.00 0.00 N ATOM 253 NH2 ARG A 29 -5.478 4.053 11.145 1.00 0.00 N ATOM 0 H ARG A 29 -1.865 3.391 3.350 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.375 2.642 6.184 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.460 5.056 5.718 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.887 4.097 5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.354 4.062 8.008 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.801 5.003 7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.784 2.556 7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.514 2.048 8.168 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.022 3.143 8.923 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.608 3.321 9.917 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.012 3.971 11.509 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.471 4.045 10.913 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.171 4.374 12.063 1.00 0.00 H new ATOM 267 N MET A 30 -3.006 0.726 5.832 1.00 0.00 N ATOM 268 CA MET A 30 -3.777 -0.508 5.574 1.00 0.00 C ATOM 269 C MET A 30 -5.191 -0.385 6.181 1.00 0.00 C ATOM 270 O MET A 30 -5.328 -0.233 7.402 1.00 0.00 O ATOM 271 CB MET A 30 -3.033 -1.739 6.169 1.00 0.00 C ATOM 272 CG MET A 30 -3.500 -3.116 5.650 1.00 0.00 C ATOM 273 SD MET A 30 -2.740 -3.629 4.075 1.00 0.00 S ATOM 274 CE MET A 30 -3.576 -2.642 2.824 1.00 0.00 C ATOM 0 H MET A 30 -2.587 0.755 6.762 1.00 0.00 H new ATOM 0 HA MET A 30 -3.872 -0.648 4.497 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.969 -1.634 5.959 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.148 -1.721 7.253 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.280 -3.869 6.407 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.583 -3.095 5.526 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.657 -3.216 1.901 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.573 -2.378 3.175 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.005 -1.733 2.637 1.00 0.00 H new ATOM 284 N LEU A 31 -6.227 -0.446 5.321 1.00 0.00 N ATOM 285 CA LEU A 31 -7.641 -0.293 5.735 1.00 0.00 C ATOM 286 C LEU A 31 -8.174 -1.550 6.452 1.00 0.00 C ATOM 287 O LEU A 31 -8.841 -1.441 7.490 1.00 0.00 O ATOM 288 CB LEU A 31 -8.525 0.067 4.502 1.00 0.00 C ATOM 289 CG LEU A 31 -8.374 1.536 3.980 1.00 0.00 C ATOM 290 CD1 LEU A 31 -9.166 1.765 2.674 1.00 0.00 C ATOM 291 CD2 LEU A 31 -8.783 2.556 5.073 1.00 0.00 C ATOM 0 H LEU A 31 -6.110 -0.603 4.320 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.691 0.524 6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.283 -0.617 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.570 -0.104 4.762 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.321 1.695 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.035 2.796 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.799 1.089 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.224 1.572 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.669 3.569 4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.823 2.390 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.145 2.428 5.947 1.00 0.00 H new ATOM 303 N ASP A 32 -7.854 -2.739 5.913 1.00 0.00 N ATOM 304 CA ASP A 32 -8.329 -4.034 6.466 1.00 0.00 C ATOM 305 C ASP A 32 -7.129 -4.987 6.647 1.00 0.00 C ATOM 306 O ASP A 32 -6.059 -4.738 6.099 1.00 0.00 O ATOM 307 CB ASP A 32 -9.408 -4.639 5.530 1.00 0.00 C ATOM 308 CG ASP A 32 -10.114 -5.876 6.119 1.00 0.00 C ATOM 309 OD1 ASP A 32 -10.958 -5.701 7.030 1.00 0.00 O ATOM 310 OD2 ASP A 32 -9.828 -7.019 5.685 1.00 0.00 O ATOM 0 H ASP A 32 -7.263 -2.837 5.087 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.786 -3.879 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.154 -3.876 5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.943 -4.913 4.583 1.00 0.00 H new ATOM 315 N ASP A 33 -7.305 -6.066 7.430 1.00 0.00 N ATOM 316 CA ASP A 33 -6.215 -7.010 7.740 1.00 0.00 C ATOM 317 C ASP A 33 -5.777 -7.780 6.475 1.00 0.00 C ATOM 318 O ASP A 33 -6.582 -8.442 5.818 1.00 0.00 O ATOM 319 CB ASP A 33 -6.629 -7.977 8.884 1.00 0.00 C ATOM 320 CG ASP A 33 -7.816 -8.898 8.541 1.00 0.00 C ATOM 321 OD1 ASP A 33 -8.972 -8.425 8.558 1.00 0.00 O ATOM 322 OD2 ASP A 33 -7.597 -10.097 8.255 1.00 0.00 O ATOM 0 H ASP A 33 -8.197 -6.307 7.862 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.356 -6.438 8.089 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.771 -8.594 9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.884 -7.389 9.766 1.00 0.00 H new ATOM 327 N TYR A 34 -4.497 -7.634 6.121 1.00 0.00 N ATOM 328 CA TYR A 34 -3.881 -8.307 4.967 1.00 0.00 C ATOM 329 C TYR A 34 -3.101 -9.557 5.427 1.00 0.00 C ATOM 330 O TYR A 34 -2.967 -9.818 6.630 1.00 0.00 O ATOM 331 CB TYR A 34 -2.971 -7.317 4.155 1.00 0.00 C ATOM 332 CG TYR A 34 -3.380 -7.201 2.680 1.00 0.00 C ATOM 333 CD1 TYR A 34 -2.854 -8.051 1.707 1.00 0.00 C ATOM 334 CD2 TYR A 34 -4.322 -6.256 2.272 1.00 0.00 C ATOM 335 CE1 TYR A 34 -3.251 -7.959 0.390 1.00 0.00 C ATOM 336 CE2 TYR A 34 -4.718 -6.159 0.957 1.00 0.00 C ATOM 337 CZ TYR A 34 -4.182 -7.010 0.018 1.00 0.00 C ATOM 338 OH TYR A 34 -4.579 -6.914 -1.300 1.00 0.00 O ATOM 0 H TYR A 34 -3.848 -7.037 6.633 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.673 -8.637 4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.014 -6.331 4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.935 -7.652 4.214 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.123 -8.794 1.990 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.750 -5.586 3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.835 -8.628 -0.349 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.447 -5.418 0.664 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.545 -7.068 -1.363 1.00 0.00 H new ATOM 348 N GLU A 35 -2.623 -10.321 4.434 1.00 0.00 N ATOM 349 CA GLU A 35 -1.914 -11.616 4.610 1.00 0.00 C ATOM 350 C GLU A 35 -0.792 -11.568 5.682 1.00 0.00 C ATOM 351 O GLU A 35 -0.718 -12.446 6.549 1.00 0.00 O ATOM 352 CB GLU A 35 -1.325 -12.054 3.242 1.00 0.00 C ATOM 353 CG GLU A 35 -2.347 -12.116 2.088 1.00 0.00 C ATOM 354 CD GLU A 35 -3.439 -13.176 2.298 1.00 0.00 C ATOM 355 OE1 GLU A 35 -3.189 -14.365 2.006 1.00 0.00 O ATOM 356 OE2 GLU A 35 -4.545 -12.827 2.764 1.00 0.00 O ATOM 0 H GLU A 35 -2.717 -10.055 3.454 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.644 -12.340 4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.529 -11.362 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.868 -13.037 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.816 -11.139 1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.821 -12.326 1.157 1.00 0.00 H new ATOM 363 N GLU A 36 0.070 -10.538 5.609 1.00 0.00 N ATOM 364 CA GLU A 36 1.190 -10.340 6.569 1.00 0.00 C ATOM 365 C GLU A 36 1.184 -8.917 7.161 1.00 0.00 C ATOM 366 O GLU A 36 2.131 -8.517 7.846 1.00 0.00 O ATOM 367 CB GLU A 36 2.543 -10.667 5.871 1.00 0.00 C ATOM 368 CG GLU A 36 2.783 -9.928 4.536 1.00 0.00 C ATOM 369 CD GLU A 36 4.058 -10.390 3.806 1.00 0.00 C ATOM 370 OE1 GLU A 36 4.144 -11.591 3.463 1.00 0.00 O ATOM 371 OE2 GLU A 36 4.955 -9.566 3.538 1.00 0.00 O ATOM 0 H GLU A 36 0.017 -9.818 4.889 1.00 0.00 H new ATOM 0 HA GLU A 36 1.057 -11.025 7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.356 -10.424 6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.591 -11.741 5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.923 -10.081 3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.850 -8.857 4.728 1.00 0.00 H new ATOM 378 N ILE A 37 0.114 -8.156 6.880 1.00 0.00 N ATOM 379 CA ILE A 37 -0.090 -6.794 7.413 1.00 0.00 C ATOM 380 C ILE A 37 -1.396 -6.777 8.227 1.00 0.00 C ATOM 381 O ILE A 37 -2.346 -7.450 7.858 1.00 0.00 O ATOM 382 CB ILE A 37 -0.160 -5.699 6.268 1.00 0.00 C ATOM 383 CG1 ILE A 37 1.031 -5.833 5.250 1.00 0.00 C ATOM 384 CG2 ILE A 37 -0.212 -4.271 6.870 1.00 0.00 C ATOM 385 CD1 ILE A 37 0.815 -6.827 4.120 1.00 0.00 C ATOM 0 H ILE A 37 -0.642 -8.469 6.271 1.00 0.00 H new ATOM 0 HA ILE A 37 0.765 -6.544 8.041 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.082 -5.873 5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.228 -4.853 4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.926 -6.123 5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.260 -3.538 6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.095 -4.174 7.501 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.682 -4.095 7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.694 -6.843 3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.652 -7.821 4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.057 -6.531 3.537 1.00 0.00 H new ATOM 397 N SER A 38 -1.451 -6.025 9.333 1.00 0.00 N ATOM 398 CA SER A 38 -2.696 -5.844 10.106 1.00 0.00 C ATOM 399 C SER A 38 -3.348 -4.496 9.740 1.00 0.00 C ATOM 400 O SER A 38 -2.663 -3.559 9.297 1.00 0.00 O ATOM 401 CB SER A 38 -2.402 -5.926 11.622 1.00 0.00 C ATOM 402 OG SER A 38 -1.780 -7.159 11.953 1.00 0.00 O ATOM 0 H SER A 38 -0.647 -5.529 9.718 1.00 0.00 H new ATOM 0 HA SER A 38 -3.394 -6.643 9.855 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.757 -5.098 11.916 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.331 -5.821 12.183 1.00 0.00 H new ATOM 0 HG SER A 38 -1.602 -7.187 12.916 1.00 0.00 H new ATOM 408 N ALA A 39 -4.681 -4.424 9.914 1.00 0.00 N ATOM 409 CA ALA A 39 -5.461 -3.191 9.729 1.00 0.00 C ATOM 410 C ALA A 39 -4.991 -2.116 10.721 1.00 0.00 C ATOM 411 O ALA A 39 -5.058 -2.328 11.937 1.00 0.00 O ATOM 412 CB ALA A 39 -6.953 -3.489 9.935 1.00 0.00 C ATOM 0 H ALA A 39 -5.248 -5.226 10.189 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.309 -2.819 8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.529 -2.574 9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.278 -4.235 9.210 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.112 -3.870 10.944 1.00 0.00 H new ATOM 418 N GLY A 40 -4.484 -0.991 10.196 1.00 0.00 N ATOM 419 CA GLY A 40 -3.976 0.107 11.027 1.00 0.00 C ATOM 420 C GLY A 40 -2.469 0.315 10.895 1.00 0.00 C ATOM 421 O GLY A 40 -1.934 1.318 11.384 1.00 0.00 O ATOM 0 H GLY A 40 -4.415 -0.819 9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.489 1.029 10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.218 -0.094 12.071 1.00 0.00 H new ATOM 425 N ASP A 41 -1.778 -0.636 10.232 1.00 0.00 N ATOM 426 CA ASP A 41 -0.334 -0.509 9.930 1.00 0.00 C ATOM 427 C ASP A 41 -0.114 0.382 8.716 1.00 0.00 C ATOM 428 O ASP A 41 -1.009 0.555 7.886 1.00 0.00 O ATOM 429 CB ASP A 41 0.330 -1.886 9.710 1.00 0.00 C ATOM 430 CG ASP A 41 0.435 -2.715 10.995 1.00 0.00 C ATOM 431 OD1 ASP A 41 0.935 -2.188 12.010 1.00 0.00 O ATOM 432 OD2 ASP A 41 0.066 -3.902 10.989 1.00 0.00 O ATOM 0 H ASP A 41 -2.197 -1.503 9.894 1.00 0.00 H new ATOM 0 HA ASP A 41 0.138 -0.047 10.797 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.243 -2.445 8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.328 -1.740 9.297 1.00 0.00 H new ATOM 437 N GLU A 42 1.097 0.948 8.630 1.00 0.00 N ATOM 438 CA GLU A 42 1.463 1.930 7.604 1.00 0.00 C ATOM 439 C GLU A 42 2.645 1.431 6.760 1.00 0.00 C ATOM 440 O GLU A 42 3.388 0.531 7.167 1.00 0.00 O ATOM 441 CB GLU A 42 1.785 3.284 8.287 1.00 0.00 C ATOM 442 CG GLU A 42 0.577 3.901 9.029 1.00 0.00 C ATOM 443 CD GLU A 42 0.926 5.188 9.792 1.00 0.00 C ATOM 444 OE1 GLU A 42 1.210 6.201 9.141 1.00 0.00 O ATOM 445 OE2 GLU A 42 0.921 5.182 11.039 1.00 0.00 O ATOM 0 H GLU A 42 1.856 0.734 9.277 1.00 0.00 H new ATOM 0 HA GLU A 42 0.624 2.070 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.602 3.140 8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.137 3.988 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.212 4.117 8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.177 3.168 9.730 1.00 0.00 H new ATOM 452 N GLY A 43 2.785 2.025 5.572 1.00 0.00 N ATOM 453 CA GLY A 43 3.798 1.638 4.594 1.00 0.00 C ATOM 454 C GLY A 43 4.375 2.840 3.884 1.00 0.00 C ATOM 455 O GLY A 43 4.177 3.970 4.331 1.00 0.00 O ATOM 0 H GLY A 43 2.192 2.795 5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.598 1.092 5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.358 0.960 3.863 1.00 0.00 H new ATOM 459 N GLU A 44 5.122 2.597 2.797 1.00 0.00 N ATOM 460 CA GLU A 44 5.583 3.653 1.882 1.00 0.00 C ATOM 461 C GLU A 44 5.443 3.161 0.447 1.00 0.00 C ATOM 462 O GLU A 44 5.738 1.993 0.163 1.00 0.00 O ATOM 463 CB GLU A 44 7.050 4.064 2.159 1.00 0.00 C ATOM 464 CG GLU A 44 7.538 5.254 1.309 1.00 0.00 C ATOM 465 CD GLU A 44 8.989 5.657 1.606 1.00 0.00 C ATOM 466 OE1 GLU A 44 9.233 6.277 2.661 1.00 0.00 O ATOM 467 OE2 GLU A 44 9.889 5.341 0.800 1.00 0.00 O ATOM 0 H GLU A 44 5.424 1.661 2.527 1.00 0.00 H new ATOM 0 HA GLU A 44 4.965 4.536 2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.153 4.318 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.698 3.208 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.448 4.999 0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.887 6.110 1.487 1.00 0.00 H new ATOM 474 N PHE A 45 5.012 4.049 -0.447 1.00 0.00 N ATOM 475 CA PHE A 45 4.898 3.757 -1.877 1.00 0.00 C ATOM 476 C PHE A 45 6.275 3.860 -2.548 1.00 0.00 C ATOM 477 O PHE A 45 6.919 4.914 -2.479 1.00 0.00 O ATOM 478 CB PHE A 45 3.901 4.740 -2.515 1.00 0.00 C ATOM 479 CG PHE A 45 3.717 4.583 -4.023 1.00 0.00 C ATOM 480 CD1 PHE A 45 3.211 3.412 -4.565 1.00 0.00 C ATOM 481 CD2 PHE A 45 4.026 5.622 -4.891 1.00 0.00 C ATOM 482 CE1 PHE A 45 3.034 3.295 -5.922 1.00 0.00 C ATOM 483 CE2 PHE A 45 3.846 5.502 -6.248 1.00 0.00 C ATOM 484 CZ PHE A 45 3.349 4.342 -6.761 1.00 0.00 C ATOM 0 H PHE A 45 4.730 4.997 -0.199 1.00 0.00 H new ATOM 0 HA PHE A 45 4.531 2.740 -2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.932 4.617 -2.031 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.234 5.757 -2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.955 2.587 -3.917 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.417 6.546 -4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.645 2.376 -6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.097 6.322 -6.904 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.202 4.243 -7.826 1.00 0.00 H new ATOM 494 N ARG A 46 6.728 2.750 -3.175 1.00 0.00 N ATOM 495 CA ARG A 46 8.049 2.697 -3.854 1.00 0.00 C ATOM 496 C ARG A 46 7.834 2.670 -5.386 1.00 0.00 C ATOM 497 O ARG A 46 8.447 3.445 -6.129 1.00 0.00 O ATOM 498 CB ARG A 46 8.901 1.448 -3.405 1.00 0.00 C ATOM 499 CG ARG A 46 8.632 0.883 -1.982 1.00 0.00 C ATOM 500 CD ARG A 46 8.798 1.900 -0.833 1.00 0.00 C ATOM 501 NE ARG A 46 10.134 2.520 -0.753 1.00 0.00 N ATOM 502 CZ ARG A 46 11.044 2.283 0.210 1.00 0.00 C ATOM 503 NH1 ARG A 46 10.976 1.203 0.967 1.00 0.00 N ATOM 504 NH2 ARG A 46 12.066 3.103 0.358 1.00 0.00 N ATOM 0 H ARG A 46 6.201 1.878 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 46 8.610 3.587 -3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.732 0.647 -4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.955 1.717 -3.469 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.617 0.486 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.308 0.046 -1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.053 2.687 -0.951 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.587 1.399 0.112 1.00 0.00 H new ATOM 0 HE ARG A 46 10.389 3.182 -1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.223 0.529 0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.676 1.043 1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.164 3.912 -0.256 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.759 2.928 1.086 1.00 0.00 H new ATOM 518 N GLN A 47 6.918 1.782 -5.833 1.00 0.00 N ATOM 519 CA GLN A 47 6.620 1.558 -7.267 1.00 0.00 C ATOM 520 C GLN A 47 5.198 0.998 -7.430 1.00 0.00 C ATOM 521 O GLN A 47 4.691 0.302 -6.537 1.00 0.00 O ATOM 522 CB GLN A 47 7.656 0.584 -7.932 1.00 0.00 C ATOM 523 CG GLN A 47 7.613 -0.895 -7.443 1.00 0.00 C ATOM 524 CD GLN A 47 8.090 -1.103 -6.001 1.00 0.00 C ATOM 525 OE1 GLN A 47 7.184 -0.975 -5.036 1.00 0.00 O flip ATOM 526 NE2 GLN A 47 9.267 -1.344 -5.757 1.00 0.00 N flip ATOM 0 H GLN A 47 6.362 1.198 -5.208 1.00 0.00 H new ATOM 0 HA GLN A 47 6.694 2.521 -7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.495 0.594 -9.010 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.658 0.975 -7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.591 -1.264 -7.531 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.229 -1.502 -8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.937 -1.436 -6.520 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.576 -1.452 -4.791 1.00 0.00 H new ATOM 535 N SER A 48 4.575 1.299 -8.585 1.00 0.00 N ATOM 536 CA SER A 48 3.217 0.850 -8.931 1.00 0.00 C ATOM 537 C SER A 48 3.232 -0.045 -10.165 1.00 0.00 C ATOM 538 O SER A 48 4.215 -0.078 -10.922 1.00 0.00 O ATOM 539 CB SER A 48 2.309 2.073 -9.217 1.00 0.00 C ATOM 540 OG SER A 48 2.868 2.925 -10.211 1.00 0.00 O ATOM 0 H SER A 48 5.008 1.868 -9.312 1.00 0.00 H new ATOM 0 HA SER A 48 2.830 0.284 -8.084 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.328 1.729 -9.543 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.159 2.638 -8.297 1.00 0.00 H new ATOM 0 HG SER A 48 2.268 3.684 -10.366 1.00 0.00 H new ATOM 546 N ASN A 49 2.131 -0.782 -10.339 1.00 0.00 N ATOM 547 CA ASN A 49 1.750 -1.374 -11.618 1.00 0.00 C ATOM 548 C ASN A 49 0.335 -0.867 -11.904 1.00 0.00 C ATOM 549 O ASN A 49 -0.577 -1.057 -11.090 1.00 0.00 O ATOM 550 CB ASN A 49 1.775 -2.931 -11.601 1.00 0.00 C ATOM 551 CG ASN A 49 3.000 -3.543 -10.921 1.00 0.00 C ATOM 552 OD1 ASN A 49 2.839 -3.934 -9.661 1.00 0.00 O flip ATOM 553 ND2 ASN A 49 4.061 -3.698 -11.528 1.00 0.00 N flip ATOM 0 H ASN A 49 1.474 -0.985 -9.585 1.00 0.00 H new ATOM 0 HA ASN A 49 2.464 -1.084 -12.389 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.879 -3.290 -11.095 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.728 -3.293 -12.628 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.146 -3.384 -12.495 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.854 -4.140 -11.064 1.00 0.00 H new ATOM 560 N ASN A 50 0.174 -0.190 -13.033 1.00 0.00 N ATOM 561 CA ASN A 50 -1.080 0.484 -13.405 1.00 0.00 C ATOM 562 C ASN A 50 -1.982 -0.483 -14.194 1.00 0.00 C ATOM 563 O ASN A 50 -3.211 -0.359 -14.178 1.00 0.00 O ATOM 564 CB ASN A 50 -0.735 1.754 -14.215 1.00 0.00 C ATOM 565 CG ASN A 50 0.202 2.701 -13.446 1.00 0.00 C ATOM 566 OD1 ASN A 50 0.104 2.857 -12.225 1.00 0.00 O ATOM 567 ND2 ASN A 50 1.143 3.308 -14.147 1.00 0.00 N ATOM 0 H ASN A 50 0.913 -0.087 -13.729 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.635 0.784 -12.516 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.265 1.466 -15.155 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.655 2.282 -14.467 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.810 3.922 -13.680 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.202 3.162 -15.155 1.00 0.00 H new ATOM 574 N GLY A 51 -1.338 -1.451 -14.875 1.00 0.00 N ATOM 575 CA GLY A 51 -2.042 -2.546 -15.546 1.00 0.00 C ATOM 576 C GLY A 51 -2.360 -3.697 -14.591 1.00 0.00 C ATOM 577 O GLY A 51 -3.336 -4.431 -14.794 1.00 0.00 O ATOM 0 H GLY A 51 -0.323 -1.491 -14.971 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.968 -2.169 -15.979 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.432 -2.917 -16.370 1.00 0.00 H new ATOM 581 N ILE A 52 -1.524 -3.859 -13.544 1.00 0.00 N ATOM 582 CA ILE A 52 -1.663 -4.941 -12.547 1.00 0.00 C ATOM 583 C ILE A 52 -2.004 -4.282 -11.186 1.00 0.00 C ATOM 584 O ILE A 52 -1.107 -3.744 -10.534 1.00 0.00 O ATOM 585 CB ILE A 52 -0.348 -5.823 -12.399 1.00 0.00 C ATOM 586 CG1 ILE A 52 0.250 -6.280 -13.788 1.00 0.00 C ATOM 587 CG2 ILE A 52 -0.607 -7.056 -11.492 1.00 0.00 C ATOM 588 CD1 ILE A 52 1.078 -5.229 -14.525 1.00 0.00 C ATOM 0 H ILE A 52 -0.732 -3.242 -13.366 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.450 -5.618 -12.880 1.00 0.00 H new ATOM 0 HB ILE A 52 0.398 -5.182 -11.929 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.873 -7.159 -13.624 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.572 -6.588 -14.434 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.307 -7.643 -11.406 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.917 -6.721 -10.502 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.393 -7.671 -11.930 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.441 -5.645 -15.465 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.459 -4.356 -14.730 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.926 -4.935 -13.907 1.00 0.00 H new ATOM 600 N PRO A 53 -3.296 -4.309 -10.732 1.00 0.00 N ATOM 601 CA PRO A 53 -3.751 -3.525 -9.550 1.00 0.00 C ATOM 602 C PRO A 53 -3.069 -3.814 -8.151 1.00 0.00 C ATOM 603 O PRO A 53 -3.097 -2.911 -7.305 1.00 0.00 O ATOM 604 CB PRO A 53 -5.287 -3.774 -9.516 1.00 0.00 C ATOM 605 CG PRO A 53 -5.478 -5.063 -10.255 1.00 0.00 C ATOM 606 CD PRO A 53 -4.426 -5.063 -11.345 1.00 0.00 C ATOM 0 HA PRO A 53 -3.451 -2.486 -9.684 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.654 -3.846 -8.492 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.831 -2.959 -9.993 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.355 -5.918 -9.591 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.481 -5.129 -10.677 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.132 -6.076 -11.620 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.787 -4.579 -12.252 1.00 0.00 H new ATOM 614 N PRO A 54 -2.490 -5.031 -7.816 1.00 0.00 N ATOM 615 CA PRO A 54 -1.672 -5.169 -6.589 1.00 0.00 C ATOM 616 C PRO A 54 -0.347 -4.362 -6.685 1.00 0.00 C ATOM 617 O PRO A 54 0.569 -4.710 -7.440 1.00 0.00 O ATOM 618 CB PRO A 54 -1.435 -6.695 -6.458 1.00 0.00 C ATOM 619 CG PRO A 54 -1.597 -7.222 -7.847 1.00 0.00 C ATOM 620 CD PRO A 54 -2.648 -6.343 -8.495 1.00 0.00 C ATOM 0 HA PRO A 54 -2.168 -4.762 -5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.441 -6.910 -6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.152 -7.150 -5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.656 -7.178 -8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.911 -8.266 -7.836 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.489 -6.258 -9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.650 -6.748 -8.352 1.00 0.00 H new ATOM 628 N VAL A 55 -0.313 -3.234 -5.952 1.00 0.00 N ATOM 629 CA VAL A 55 0.860 -2.352 -5.834 1.00 0.00 C ATOM 630 C VAL A 55 1.790 -2.831 -4.704 1.00 0.00 C ATOM 631 O VAL A 55 1.329 -3.371 -3.691 1.00 0.00 O ATOM 632 CB VAL A 55 0.420 -0.860 -5.577 1.00 0.00 C ATOM 633 CG1 VAL A 55 -0.498 -0.735 -4.335 1.00 0.00 C ATOM 634 CG2 VAL A 55 1.643 0.085 -5.459 1.00 0.00 C ATOM 0 H VAL A 55 -1.116 -2.905 -5.416 1.00 0.00 H new ATOM 0 HA VAL A 55 1.405 -2.394 -6.777 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.159 -0.549 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.778 0.309 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.396 -1.335 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.033 -1.091 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.300 1.104 -5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.272 -0.235 -4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.219 0.052 -6.384 1.00 0.00 H new ATOM 644 N GLN A 56 3.108 -2.646 -4.904 1.00 0.00 N ATOM 645 CA GLN A 56 4.124 -3.006 -3.912 1.00 0.00 C ATOM 646 C GLN A 56 4.415 -1.779 -3.022 1.00 0.00 C ATOM 647 O GLN A 56 4.802 -0.708 -3.512 1.00 0.00 O ATOM 648 CB GLN A 56 5.423 -3.517 -4.601 1.00 0.00 C ATOM 649 CG GLN A 56 5.321 -4.872 -5.338 1.00 0.00 C ATOM 650 CD GLN A 56 4.448 -4.827 -6.594 1.00 0.00 C ATOM 651 OE1 GLN A 56 3.161 -5.113 -6.441 1.00 0.00 O flip ATOM 652 NE2 GLN A 56 4.924 -4.524 -7.684 1.00 0.00 N flip ATOM 0 H GLN A 56 3.493 -2.243 -5.758 1.00 0.00 H new ATOM 0 HA GLN A 56 3.748 -3.820 -3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.750 -2.762 -5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.203 -3.598 -3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.323 -5.201 -5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.918 -5.618 -4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.918 -4.310 -7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.325 -4.486 -8.509 1.00 0.00 H new ATOM 661 N VAL A 57 4.216 -1.960 -1.712 1.00 0.00 N ATOM 662 CA VAL A 57 4.452 -0.937 -0.673 1.00 0.00 C ATOM 663 C VAL A 57 5.220 -1.578 0.482 1.00 0.00 C ATOM 664 O VAL A 57 4.917 -2.705 0.880 1.00 0.00 O ATOM 665 CB VAL A 57 3.105 -0.294 -0.138 1.00 0.00 C ATOM 666 CG1 VAL A 57 2.743 0.990 -0.904 1.00 0.00 C ATOM 667 CG2 VAL A 57 1.943 -1.304 -0.202 1.00 0.00 C ATOM 0 H VAL A 57 3.878 -2.843 -1.329 1.00 0.00 H new ATOM 0 HA VAL A 57 5.032 -0.129 -1.119 1.00 0.00 H new ATOM 0 HB VAL A 57 3.271 -0.025 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.814 1.400 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.542 1.722 -0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.616 0.759 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.032 -0.835 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.792 -1.620 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.182 -2.173 0.412 1.00 0.00 H new ATOM 677 N PHE A 58 6.229 -0.856 0.991 1.00 0.00 N ATOM 678 CA PHE A 58 7.099 -1.331 2.079 1.00 0.00 C ATOM 679 C PHE A 58 6.383 -1.113 3.407 1.00 0.00 C ATOM 680 O PHE A 58 6.237 0.021 3.837 1.00 0.00 O ATOM 681 CB PHE A 58 8.445 -0.558 2.051 1.00 0.00 C ATOM 682 CG PHE A 58 9.476 -0.995 3.101 1.00 0.00 C ATOM 683 CD1 PHE A 58 10.319 -2.082 2.869 1.00 0.00 C ATOM 684 CD2 PHE A 58 9.611 -0.309 4.317 1.00 0.00 C ATOM 685 CE1 PHE A 58 11.256 -2.471 3.808 1.00 0.00 C ATOM 686 CE2 PHE A 58 10.546 -0.703 5.255 1.00 0.00 C ATOM 687 CZ PHE A 58 11.369 -1.782 5.001 1.00 0.00 C ATOM 0 H PHE A 58 6.466 0.079 0.658 1.00 0.00 H new ATOM 0 HA PHE A 58 7.312 -2.393 1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.889 -0.670 1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.238 0.503 2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.238 -2.628 1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.975 0.539 4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.901 -3.314 3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.633 -0.166 6.188 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.101 -2.088 5.734 1.00 0.00 H new ATOM 697 N TRP A 59 5.943 -2.206 4.026 1.00 0.00 N ATOM 698 CA TRP A 59 5.205 -2.186 5.294 1.00 0.00 C ATOM 699 C TRP A 59 6.155 -2.355 6.481 1.00 0.00 C ATOM 700 O TRP A 59 6.989 -3.268 6.486 1.00 0.00 O ATOM 701 CB TRP A 59 4.151 -3.312 5.310 1.00 0.00 C ATOM 702 CG TRP A 59 3.114 -3.169 4.232 1.00 0.00 C ATOM 703 CD1 TRP A 59 3.078 -3.812 3.027 1.00 0.00 C ATOM 704 CD2 TRP A 59 1.969 -2.314 4.271 1.00 0.00 C ATOM 705 NE1 TRP A 59 1.975 -3.417 2.324 1.00 0.00 N ATOM 706 CE2 TRP A 59 1.278 -2.489 3.067 1.00 0.00 C ATOM 707 CE3 TRP A 59 1.464 -1.417 5.215 1.00 0.00 C ATOM 708 CZ2 TRP A 59 0.102 -1.799 2.782 1.00 0.00 C ATOM 709 CZ3 TRP A 59 0.304 -0.732 4.932 1.00 0.00 C ATOM 710 CH2 TRP A 59 -0.366 -0.922 3.720 1.00 0.00 C ATOM 0 H TRP A 59 6.089 -3.146 3.658 1.00 0.00 H new ATOM 0 HA TRP A 59 4.707 -1.220 5.382 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.654 -4.273 5.196 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.656 -3.324 6.281 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.812 -4.526 2.682 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.710 -3.755 1.399 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.976 -1.263 6.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.423 -1.952 1.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.094 -0.038 5.657 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.270 -0.366 3.521 1.00 0.00 H new ATOM 721 N GLN A 60 6.002 -1.470 7.478 1.00 0.00 N ATOM 722 CA GLN A 60 6.661 -1.596 8.796 1.00 0.00 C ATOM 723 C GLN A 60 6.210 -2.885 9.519 1.00 0.00 C ATOM 724 O GLN A 60 6.951 -3.438 10.335 1.00 0.00 O ATOM 725 CB GLN A 60 6.336 -0.355 9.676 1.00 0.00 C ATOM 726 CG GLN A 60 4.829 -0.153 9.969 1.00 0.00 C ATOM 727 CD GLN A 60 4.530 1.000 10.922 1.00 0.00 C ATOM 728 OE1 GLN A 60 4.311 2.136 10.500 1.00 0.00 O ATOM 729 NE2 GLN A 60 4.548 0.716 12.211 1.00 0.00 N ATOM 0 H GLN A 60 5.415 -0.640 7.396 1.00 0.00 H new ATOM 0 HA GLN A 60 7.737 -1.651 8.634 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.868 -0.447 10.623 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.720 0.537 9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.307 0.022 9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.425 -1.073 10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.733 -0.238 12.520 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.377 1.451 12.898 1.00 0.00 H new ATOM 738 N SER A 61 4.983 -3.335 9.186 1.00 0.00 N ATOM 739 CA SER A 61 4.327 -4.502 9.796 1.00 0.00 C ATOM 740 C SER A 61 5.131 -5.801 9.587 1.00 0.00 C ATOM 741 O SER A 61 5.326 -6.587 10.522 1.00 0.00 O ATOM 742 CB SER A 61 2.920 -4.658 9.184 1.00 0.00 C ATOM 743 OG SER A 61 2.201 -5.721 9.777 1.00 0.00 O ATOM 0 H SER A 61 4.412 -2.886 8.470 1.00 0.00 H new ATOM 0 HA SER A 61 4.265 -4.331 10.871 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.364 -3.729 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.008 -4.833 8.112 1.00 0.00 H new ATOM 0 HG SER A 61 1.423 -5.364 10.254 1.00 0.00 H new ATOM 749 N THR A 62 5.602 -5.995 8.347 1.00 0.00 N ATOM 750 CA THR A 62 6.288 -7.230 7.915 1.00 0.00 C ATOM 751 C THR A 62 7.780 -6.961 7.593 1.00 0.00 C ATOM 752 O THR A 62 8.567 -7.904 7.414 1.00 0.00 O ATOM 753 CB THR A 62 5.540 -7.844 6.682 1.00 0.00 C ATOM 754 OG1 THR A 62 6.198 -9.047 6.244 1.00 0.00 O ATOM 755 CG2 THR A 62 5.407 -6.840 5.512 1.00 0.00 C ATOM 0 H THR A 62 5.519 -5.297 7.608 1.00 0.00 H new ATOM 0 HA THR A 62 6.263 -7.950 8.733 1.00 0.00 H new ATOM 0 HB THR A 62 4.529 -8.088 7.008 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.881 -9.286 5.348 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.882 -7.315 4.683 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.846 -5.966 5.844 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.399 -6.531 5.183 1.00 0.00 H new ATOM 763 N GLY A 63 8.156 -5.665 7.531 1.00 0.00 N ATOM 764 CA GLY A 63 9.545 -5.256 7.272 1.00 0.00 C ATOM 765 C GLY A 63 9.951 -5.343 5.807 1.00 0.00 C ATOM 766 O GLY A 63 11.147 -5.296 5.492 1.00 0.00 O ATOM 0 H GLY A 63 7.511 -4.885 7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.682 -4.231 7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.214 -5.883 7.862 1.00 0.00 H new ATOM 770 N ARG A 64 8.963 -5.490 4.906 1.00 0.00 N ATOM 771 CA ARG A 64 9.213 -5.723 3.468 1.00 0.00 C ATOM 772 C ARG A 64 8.059 -5.195 2.607 1.00 0.00 C ATOM 773 O ARG A 64 7.007 -4.795 3.119 1.00 0.00 O ATOM 774 CB ARG A 64 9.439 -7.237 3.213 1.00 0.00 C ATOM 775 CG ARG A 64 8.269 -8.125 3.681 1.00 0.00 C ATOM 776 CD ARG A 64 8.554 -9.619 3.529 1.00 0.00 C ATOM 777 NE ARG A 64 8.753 -10.010 2.114 1.00 0.00 N ATOM 778 CZ ARG A 64 7.907 -10.754 1.379 1.00 0.00 C ATOM 779 NH1 ARG A 64 6.758 -11.179 1.881 1.00 0.00 N ATOM 780 NH2 ARG A 64 8.211 -11.052 0.127 1.00 0.00 N ATOM 0 H ARG A 64 7.973 -5.451 5.150 1.00 0.00 H new ATOM 0 HA ARG A 64 10.111 -5.175 3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.601 -7.397 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.349 -7.551 3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.051 -7.907 4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.376 -7.871 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.443 -9.878 4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.726 -10.190 3.949 1.00 0.00 H new ATOM 0 HE ARG A 64 9.606 -9.687 1.657 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.502 -10.943 2.840 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.129 -11.742 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.085 -10.718 -0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.571 -11.616 -0.433 1.00 0.00 H new ATOM 794 N THR A 65 8.276 -5.251 1.287 1.00 0.00 N ATOM 795 CA THR A 65 7.331 -4.786 0.269 1.00 0.00 C ATOM 796 C THR A 65 6.345 -5.924 -0.080 1.00 0.00 C ATOM 797 O THR A 65 6.780 -7.037 -0.407 1.00 0.00 O ATOM 798 CB THR A 65 8.132 -4.327 -1.019 1.00 0.00 C ATOM 799 OG1 THR A 65 9.529 -4.148 -0.706 1.00 0.00 O ATOM 800 CG2 THR A 65 7.603 -3.013 -1.599 1.00 0.00 C ATOM 0 H THR A 65 9.135 -5.631 0.890 1.00 0.00 H new ATOM 0 HA THR A 65 6.762 -3.938 0.650 1.00 0.00 H new ATOM 0 HB THR A 65 7.999 -5.116 -1.760 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.011 -3.866 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.186 -2.743 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.557 -3.134 -1.880 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.689 -2.225 -0.851 1.00 0.00 H new ATOM 808 N TYR A 66 5.022 -5.649 -0.002 1.00 0.00 N ATOM 809 CA TYR A 66 3.978 -6.658 -0.283 1.00 0.00 C ATOM 810 C TYR A 66 2.950 -6.123 -1.298 1.00 0.00 C ATOM 811 O TYR A 66 2.750 -4.908 -1.422 1.00 0.00 O ATOM 812 CB TYR A 66 3.265 -7.100 1.034 1.00 0.00 C ATOM 813 CG TYR A 66 2.445 -8.402 0.888 1.00 0.00 C ATOM 814 CD1 TYR A 66 3.098 -9.610 0.643 1.00 0.00 C ATOM 815 CD2 TYR A 66 1.043 -8.427 0.950 1.00 0.00 C ATOM 816 CE1 TYR A 66 2.397 -10.785 0.477 1.00 0.00 C ATOM 817 CE2 TYR A 66 0.343 -9.606 0.770 1.00 0.00 C ATOM 818 CZ TYR A 66 1.028 -10.778 0.536 1.00 0.00 C ATOM 819 OH TYR A 66 0.336 -11.948 0.339 1.00 0.00 O ATOM 0 H TYR A 66 4.653 -4.733 0.254 1.00 0.00 H new ATOM 0 HA TYR A 66 4.466 -7.529 -0.720 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.014 -7.238 1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.604 -6.299 1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.176 -9.625 0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.503 -7.512 1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.926 -11.710 0.301 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.736 -9.608 0.813 1.00 0.00 H new ATOM 0 HH TYR A 66 0.881 -12.705 0.640 1.00 0.00 H new ATOM 829 N TRP A 67 2.299 -7.073 -1.998 1.00 0.00 N ATOM 830 CA TRP A 67 1.283 -6.814 -3.025 1.00 0.00 C ATOM 831 C TRP A 67 -0.080 -6.564 -2.356 1.00 0.00 C ATOM 832 O TRP A 67 -0.674 -7.495 -1.798 1.00 0.00 O ATOM 833 CB TRP A 67 1.184 -8.037 -3.992 1.00 0.00 C ATOM 834 CG TRP A 67 2.509 -8.492 -4.568 1.00 0.00 C ATOM 835 CD1 TRP A 67 3.085 -8.083 -5.731 1.00 0.00 C ATOM 836 CD2 TRP A 67 3.408 -9.461 -4.005 1.00 0.00 C ATOM 837 NE1 TRP A 67 4.291 -8.705 -5.909 1.00 0.00 N ATOM 838 CE2 TRP A 67 4.508 -9.562 -4.868 1.00 0.00 C ATOM 839 CE3 TRP A 67 3.388 -10.244 -2.849 1.00 0.00 C ATOM 840 CZ2 TRP A 67 5.582 -10.411 -4.612 1.00 0.00 C ATOM 841 CZ3 TRP A 67 4.447 -11.092 -2.598 1.00 0.00 C ATOM 842 CH2 TRP A 67 5.532 -11.170 -3.475 1.00 0.00 C ATOM 0 H TRP A 67 2.474 -8.068 -1.857 1.00 0.00 H new ATOM 0 HA TRP A 67 1.568 -5.931 -3.597 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.729 -8.871 -3.457 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.514 -7.782 -4.813 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.652 -7.369 -6.416 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.926 -8.553 -6.693 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.557 -10.187 -2.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 6.424 -10.468 -5.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.437 -11.705 -1.709 1.00 0.00 H new ATOM 0 HH2 TRP A 67 6.347 -11.842 -3.251 1.00 0.00 H new ATOM 853 N VAL A 68 -0.553 -5.307 -2.381 1.00 0.00 N ATOM 854 CA VAL A 68 -1.872 -4.926 -1.820 1.00 0.00 C ATOM 855 C VAL A 68 -2.698 -4.196 -2.888 1.00 0.00 C ATOM 856 O VAL A 68 -2.131 -3.554 -3.776 1.00 0.00 O ATOM 857 CB VAL A 68 -1.760 -4.037 -0.511 1.00 0.00 C ATOM 858 CG1 VAL A 68 -0.860 -4.712 0.562 1.00 0.00 C ATOM 859 CG2 VAL A 68 -1.286 -2.596 -0.826 1.00 0.00 C ATOM 0 H VAL A 68 -0.039 -4.525 -2.787 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.372 -5.849 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.764 -3.957 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.806 -4.075 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.284 -5.678 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.142 -4.857 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.224 -2.023 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.304 -2.631 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.996 -2.119 -1.501 1.00 0.00 H new ATOM 869 N HIS A 69 -4.035 -4.297 -2.799 1.00 0.00 N ATOM 870 CA HIS A 69 -4.934 -3.640 -3.765 1.00 0.00 C ATOM 871 C HIS A 69 -5.100 -2.150 -3.411 1.00 0.00 C ATOM 872 O HIS A 69 -5.131 -1.787 -2.228 1.00 0.00 O ATOM 873 CB HIS A 69 -6.321 -4.339 -3.818 1.00 0.00 C ATOM 874 CG HIS A 69 -7.166 -3.906 -4.993 1.00 0.00 C ATOM 875 ND1 HIS A 69 -8.246 -3.054 -4.888 1.00 0.00 N ATOM 876 CD2 HIS A 69 -7.051 -4.193 -6.312 1.00 0.00 C ATOM 877 CE1 HIS A 69 -8.755 -2.839 -6.088 1.00 0.00 C ATOM 878 NE2 HIS A 69 -8.049 -3.518 -6.967 1.00 0.00 N ATOM 0 H HIS A 69 -4.516 -4.825 -2.071 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.481 -3.723 -4.753 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.174 -5.418 -3.863 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.861 -4.129 -2.895 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.310 -4.835 -6.764 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -9.606 -2.212 -6.310 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.217 -3.539 -7.973 1.00 0.00 H new ATOM 887 N TRP A 70 -5.252 -1.326 -4.460 1.00 0.00 N ATOM 888 CA TRP A 70 -5.375 0.143 -4.368 1.00 0.00 C ATOM 889 C TRP A 70 -6.518 0.605 -3.427 1.00 0.00 C ATOM 890 O TRP A 70 -6.320 1.510 -2.625 1.00 0.00 O ATOM 891 CB TRP A 70 -5.630 0.721 -5.774 1.00 0.00 C ATOM 892 CG TRP A 70 -4.516 0.538 -6.774 1.00 0.00 C ATOM 893 CD1 TRP A 70 -4.512 -0.284 -7.867 1.00 0.00 C ATOM 894 CD2 TRP A 70 -3.257 1.229 -6.787 1.00 0.00 C ATOM 895 NE1 TRP A 70 -3.320 -0.172 -8.536 1.00 0.00 N ATOM 896 CE2 TRP A 70 -2.536 0.758 -7.899 1.00 0.00 C ATOM 897 CE3 TRP A 70 -2.669 2.194 -5.956 1.00 0.00 C ATOM 898 CZ2 TRP A 70 -1.258 1.220 -8.202 1.00 0.00 C ATOM 899 CZ3 TRP A 70 -1.405 2.656 -6.260 1.00 0.00 C ATOM 900 CH2 TRP A 70 -0.711 2.170 -7.372 1.00 0.00 C ATOM 0 H TRP A 70 -5.294 -1.668 -5.420 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.439 0.511 -3.948 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.532 0.261 -6.176 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.832 1.788 -5.676 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -5.328 -0.927 -8.160 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.058 -0.695 -9.372 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.197 2.569 -5.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.716 0.846 -9.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.945 3.403 -5.630 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.278 2.550 -7.584 1.00 0.00 H new ATOM 911 N HIS A 71 -7.712 -0.019 -3.545 1.00 0.00 N ATOM 912 CA HIS A 71 -8.921 0.432 -2.802 1.00 0.00 C ATOM 913 C HIS A 71 -8.837 0.099 -1.294 1.00 0.00 C ATOM 914 O HIS A 71 -9.513 0.730 -0.479 1.00 0.00 O ATOM 915 CB HIS A 71 -10.210 -0.152 -3.434 1.00 0.00 C ATOM 916 CG HIS A 71 -11.492 0.395 -2.844 1.00 0.00 C ATOM 917 ND1 HIS A 71 -12.011 1.646 -2.868 1.00 0.00 N flip ATOM 918 CD2 HIS A 71 -12.367 -0.355 -2.094 1.00 0.00 C flip ATOM 919 CE1 HIS A 71 -13.175 1.624 -2.149 1.00 0.00 C flip ATOM 920 NE2 HIS A 71 -13.370 0.403 -1.696 1.00 0.00 N flip ATOM 0 H HIS A 71 -7.869 -0.831 -4.142 1.00 0.00 H new ATOM 0 HA HIS A 71 -8.963 1.518 -2.885 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.200 0.051 -4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.201 -1.235 -3.315 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -12.251 -1.404 -1.866 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -13.826 2.469 -1.981 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -14.163 0.096 -1.133 1.00 0.00 H new ATOM 929 N MET A 72 -8.004 -0.897 -0.941 1.00 0.00 N ATOM 930 CA MET A 72 -7.714 -1.252 0.470 1.00 0.00 C ATOM 931 C MET A 72 -6.457 -0.530 0.984 1.00 0.00 C ATOM 932 O MET A 72 -6.122 -0.613 2.172 1.00 0.00 O ATOM 933 CB MET A 72 -7.570 -2.789 0.614 1.00 0.00 C ATOM 934 CG MET A 72 -8.900 -3.551 0.607 1.00 0.00 C ATOM 935 SD MET A 72 -8.700 -5.339 0.788 1.00 0.00 S ATOM 936 CE MET A 72 -7.899 -5.800 -0.747 1.00 0.00 C ATOM 0 H MET A 72 -7.512 -1.479 -1.619 1.00 0.00 H new ATOM 0 HA MET A 72 -8.551 -0.921 1.084 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.947 -3.161 -0.199 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.045 -3.007 1.544 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.528 -3.179 1.416 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.425 -3.344 -0.325 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.803 -6.885 -0.796 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.497 -5.451 -1.589 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.909 -5.346 -0.792 1.00 0.00 H new ATOM 946 N LEU A 73 -5.772 0.171 0.077 1.00 0.00 N ATOM 947 CA LEU A 73 -4.667 1.062 0.417 1.00 0.00 C ATOM 948 C LEU A 73 -5.258 2.465 0.650 1.00 0.00 C ATOM 949 O LEU A 73 -5.926 3.026 -0.226 1.00 0.00 O ATOM 950 CB LEU A 73 -3.590 1.034 -0.725 1.00 0.00 C ATOM 951 CG LEU A 73 -2.257 1.850 -0.494 1.00 0.00 C ATOM 952 CD1 LEU A 73 -1.098 1.274 -1.336 1.00 0.00 C ATOM 953 CD2 LEU A 73 -2.427 3.361 -0.806 1.00 0.00 C ATOM 0 H LEU A 73 -5.973 0.134 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.156 0.744 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.320 -0.006 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.058 1.406 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.017 1.750 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.194 1.856 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.924 0.236 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.357 1.323 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.483 3.877 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.722 3.486 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.196 3.782 -0.158 1.00 0.00 H new ATOM 965 N GLU A 74 -5.000 3.014 1.836 1.00 0.00 N ATOM 966 CA GLU A 74 -5.358 4.388 2.202 1.00 0.00 C ATOM 967 C GLU A 74 -4.085 5.227 2.157 1.00 0.00 C ATOM 968 O GLU A 74 -3.010 4.741 2.489 1.00 0.00 O ATOM 969 CB GLU A 74 -5.980 4.437 3.627 1.00 0.00 C ATOM 970 CG GLU A 74 -6.256 5.856 4.180 1.00 0.00 C ATOM 971 CD GLU A 74 -6.918 5.846 5.573 1.00 0.00 C ATOM 972 OE1 GLU A 74 -6.230 5.568 6.579 1.00 0.00 O ATOM 973 OE2 GLU A 74 -8.125 6.135 5.667 1.00 0.00 O ATOM 0 H GLU A 74 -4.527 2.509 2.585 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.101 4.777 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.917 3.881 3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.311 3.920 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.317 6.407 4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.900 6.392 3.483 1.00 0.00 H new ATOM 980 N ILE A 75 -4.203 6.475 1.722 1.00 0.00 N ATOM 981 CA ILE A 75 -3.069 7.400 1.658 1.00 0.00 C ATOM 982 C ILE A 75 -3.180 8.442 2.794 1.00 0.00 C ATOM 983 O ILE A 75 -4.160 9.179 2.884 1.00 0.00 O ATOM 984 CB ILE A 75 -2.978 8.076 0.237 1.00 0.00 C ATOM 985 CG1 ILE A 75 -4.291 8.836 -0.146 1.00 0.00 C ATOM 986 CG2 ILE A 75 -2.624 7.019 -0.838 1.00 0.00 C ATOM 987 CD1 ILE A 75 -4.215 9.587 -1.455 1.00 0.00 C ATOM 0 H ILE A 75 -5.084 6.878 1.403 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.142 6.845 1.802 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.183 8.820 0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.110 8.119 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.535 9.540 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.564 7.499 -1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.663 6.564 -0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.395 6.249 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.166 10.085 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.420 10.331 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.004 8.888 -2.264 1.00 0.00 H new ATOM 999 N LEU A 76 -2.196 8.442 3.714 1.00 0.00 N ATOM 1000 CA LEU A 76 -2.082 9.467 4.784 1.00 0.00 C ATOM 1001 C LEU A 76 -0.832 10.341 4.574 1.00 0.00 C ATOM 1002 O LEU A 76 -0.516 11.181 5.428 1.00 0.00 O ATOM 1003 CB LEU A 76 -2.037 8.804 6.196 1.00 0.00 C ATOM 1004 CG LEU A 76 -3.305 8.011 6.653 1.00 0.00 C ATOM 1005 CD1 LEU A 76 -3.187 7.597 8.140 1.00 0.00 C ATOM 1006 CD2 LEU A 76 -4.611 8.799 6.383 1.00 0.00 C ATOM 0 H LEU A 76 -1.459 7.738 3.742 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.967 10.101 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.185 8.124 6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.844 9.586 6.931 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.358 7.102 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.080 7.047 8.436 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.310 6.964 8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.088 8.489 8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.466 8.211 6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.586 9.743 6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.701 8.999 5.315 1.00 0.00 H new ATOM 1018 N GLY A 77 -0.129 10.127 3.442 1.00 0.00 N ATOM 1019 CA GLY A 77 1.088 10.870 3.118 1.00 0.00 C ATOM 1020 C GLY A 77 0.794 12.324 2.749 1.00 0.00 C ATOM 1021 O GLY A 77 0.164 12.561 1.718 1.00 0.00 O ATOM 0 H GLY A 77 -0.393 9.438 2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.766 10.843 3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.600 10.382 2.288 1.00 0.00 H new TER 1025 GLY A 77