USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 658 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 45 MET CE :methyl 157:sc= -2.01 (180deg=-1.56) USER MOD Set 1.2: A 60 MET CE :methyl 157:sc= -0.454 (180deg=0) USER MOD Set 1.3: A 80 MET CE :methyl 151:sc= -0.308 (180deg=-1.32) USER MOD Set 1.4: A 84 SER OG : rot -140:sc=-0.000367 USER MOD Set 2.1: A 69 SER OG : rot 117:sc= 0.866 USER MOD Set 2.2: A 71 THR OG1 : rot 29:sc= 1.08 USER MOD Set 3.1: A 16 GLN : amide:sc= -2.65 K(o=-3.6,f=-12!) USER MOD Set 3.2: A 85 MET CE :methyl 144:sc= -0.932 (180deg=-0.00676) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.855) USER MOD Single : A 11 GLN : amide:sc= -4.54! C(o=-4.5!,f=-6.2!) USER MOD Single : A 13 THR OG1 : rot -178:sc= -1.53! USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00872) USER MOD Single : A 18 ASN : amide:sc= 0.821 K(o=0.82,f=-0.046) USER MOD Single : A 21 LYS NZ :NH3+ 143:sc= 0.102 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.243 USER MOD Single : A 37 SER OG : rot 87:sc= 0.0471 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 150:sc= -0.26 (180deg=-2.02!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 137:sc= -2.14 (180deg=-7.45!) USER MOD Single : A 50 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.68) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0705 USER MOD Single : A 58 GLN : amide:sc= 0.0843 X(o=0.084,f=-0.083) USER MOD Single : A 81 MET CE :methyl -144:sc= -0.47 (180deg=-2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 83:sc= 0.78 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 61.916 19.636 -0.040 1.00 4.98 N ATOM 2 CA ALA A 2 62.387 19.123 1.280 1.00 4.92 C ATOM 3 C ALA A 2 63.054 17.756 1.108 1.00 4.09 C ATOM 4 O ALA A 2 62.426 16.725 1.255 1.00 4.52 O ATOM 5 CB ALA A 2 61.122 19.001 2.131 1.00 5.75 C ATOM 0 HA ALA A 2 63.125 19.780 1.740 1.00 4.92 H new ATOM 0 HB1 ALA A 2 61.384 18.628 3.121 1.00 5.75 H new ATOM 0 HB2 ALA A 2 60.651 19.979 2.225 1.00 5.75 H new ATOM 0 HB3 ALA A 2 60.428 18.308 1.655 1.00 5.75 H new ATOM 13 N ASP A 3 64.322 17.738 0.799 1.00 3.31 N ATOM 14 CA ASP A 3 65.030 16.438 0.618 1.00 2.98 C ATOM 15 C ASP A 3 66.533 16.620 0.842 1.00 2.31 C ATOM 16 O ASP A 3 67.025 17.726 0.947 1.00 2.93 O ATOM 17 CB ASP A 3 64.747 16.032 -0.829 1.00 3.17 C ATOM 18 CG ASP A 3 63.288 15.594 -0.961 1.00 3.95 C ATOM 19 OD1 ASP A 3 62.969 14.513 -0.494 1.00 4.32 O ATOM 20 OD2 ASP A 3 62.513 16.347 -1.528 1.00 4.60 O ATOM 0 H ASP A 3 64.899 18.568 0.664 1.00 3.31 H new ATOM 0 HA ASP A 3 64.694 15.681 1.326 1.00 2.98 H new ATOM 0 HB2 ASP A 3 64.948 16.868 -1.498 1.00 3.17 H new ATOM 0 HB3 ASP A 3 65.410 15.219 -1.126 1.00 3.17 H new ATOM 25 N ILE A 4 67.268 15.544 0.919 1.00 1.43 N ATOM 26 CA ILE A 4 68.739 15.662 1.136 1.00 1.28 C ATOM 27 C ILE A 4 69.480 14.555 0.382 1.00 1.13 C ATOM 28 O ILE A 4 70.220 14.812 -0.546 1.00 1.61 O ATOM 29 CB ILE A 4 68.931 15.507 2.645 1.00 1.66 C ATOM 30 CG1 ILE A 4 68.249 16.674 3.366 1.00 2.36 C ATOM 31 CG2 ILE A 4 70.425 15.509 2.975 1.00 1.86 C ATOM 32 CD1 ILE A 4 66.842 16.255 3.797 1.00 2.80 C ATOM 0 H ILE A 4 66.915 14.590 0.841 1.00 1.43 H new ATOM 0 HA ILE A 4 69.134 16.610 0.770 1.00 1.28 H new ATOM 0 HB ILE A 4 68.489 14.566 2.972 1.00 1.66 H new ATOM 0 HG12 ILE A 4 68.835 16.970 4.236 1.00 2.36 H new ATOM 0 HG13 ILE A 4 68.196 17.541 2.708 1.00 2.36 H new ATOM 0 HG21 ILE A 4 70.560 15.398 4.051 1.00 1.86 H new ATOM 0 HG22 ILE A 4 70.912 14.680 2.461 1.00 1.86 H new ATOM 0 HG23 ILE A 4 70.868 16.450 2.648 1.00 1.86 H new ATOM 0 HD11 ILE A 4 66.356 17.085 4.310 1.00 2.80 H new ATOM 0 HD12 ILE A 4 66.259 15.981 2.918 1.00 2.80 H new ATOM 0 HD13 ILE A 4 66.907 15.400 4.470 1.00 2.80 H new ATOM 44 N TYR A 5 69.290 13.324 0.773 1.00 0.88 N ATOM 45 CA TYR A 5 69.988 12.206 0.075 1.00 0.86 C ATOM 46 C TYR A 5 69.433 12.038 -1.343 1.00 0.78 C ATOM 47 O TYR A 5 70.145 11.676 -2.259 1.00 0.79 O ATOM 48 CB TYR A 5 69.693 10.963 0.917 1.00 1.02 C ATOM 49 CG TYR A 5 69.918 11.277 2.377 1.00 1.22 C ATOM 50 CD1 TYR A 5 71.221 11.344 2.887 1.00 1.94 C ATOM 51 CD2 TYR A 5 68.824 11.497 3.221 1.00 1.64 C ATOM 52 CE1 TYR A 5 71.429 11.635 4.240 1.00 2.20 C ATOM 53 CE2 TYR A 5 69.032 11.787 4.575 1.00 1.80 C ATOM 54 CZ TYR A 5 70.334 11.856 5.084 1.00 1.77 C ATOM 55 OH TYR A 5 70.539 12.142 6.419 1.00 2.07 O ATOM 0 H TYR A 5 68.683 13.044 1.544 1.00 0.88 H new ATOM 0 HA TYR A 5 71.059 12.386 -0.022 1.00 0.86 H new ATOM 0 HB2 TYR A 5 68.664 10.639 0.758 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.337 10.140 0.608 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.065 11.171 2.236 1.00 1.94 H new ATOM 0 HD2 TYR A 5 67.819 11.443 2.828 1.00 1.64 H new ATOM 0 HE1 TYR A 5 72.434 11.689 4.633 1.00 2.20 H new ATOM 0 HE2 TYR A 5 68.188 11.957 5.227 1.00 1.80 H new ATOM 0 HH TYR A 5 69.675 12.269 6.863 1.00 2.07 H new ATOM 65 N LYS A 6 68.169 12.297 -1.529 1.00 0.89 N ATOM 66 CA LYS A 6 67.569 12.151 -2.888 1.00 1.01 C ATOM 67 C LYS A 6 68.469 12.808 -3.938 1.00 0.98 C ATOM 68 O LYS A 6 68.790 12.217 -4.950 1.00 1.00 O ATOM 69 CB LYS A 6 66.224 12.873 -2.806 1.00 1.28 C ATOM 70 CG LYS A 6 65.111 11.854 -2.548 1.00 1.60 C ATOM 71 CD LYS A 6 65.412 11.083 -1.261 1.00 2.04 C ATOM 72 CE LYS A 6 64.099 10.603 -0.636 1.00 2.60 C ATOM 73 NZ LYS A 6 64.400 10.414 0.812 1.00 3.24 N ATOM 0 H LYS A 6 67.524 12.603 -0.800 1.00 0.89 H new ATOM 0 HA LYS A 6 67.454 11.107 -3.179 1.00 1.01 H new ATOM 0 HB2 LYS A 6 66.245 13.614 -2.007 1.00 1.28 H new ATOM 0 HB3 LYS A 6 66.031 13.411 -3.734 1.00 1.28 H new ATOM 0 HG2 LYS A 6 64.151 12.362 -2.464 1.00 1.60 H new ATOM 0 HG3 LYS A 6 65.034 11.164 -3.388 1.00 1.60 H new ATOM 0 HD2 LYS A 6 66.057 10.232 -1.477 1.00 2.04 H new ATOM 0 HD3 LYS A 6 65.950 11.721 -0.559 1.00 2.04 H new ATOM 0 HE2 LYS A 6 63.304 11.334 -0.780 1.00 2.60 H new ATOM 0 HE3 LYS A 6 63.763 9.672 -1.093 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 63.899 9.573 1.164 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 65.424 10.286 0.940 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 64.087 11.251 1.344 1.00 3.24 H new ATOM 87 N ALA A 7 68.879 14.024 -3.706 1.00 1.07 N ATOM 88 CA ALA A 7 69.757 14.716 -4.694 1.00 1.20 C ATOM 89 C ALA A 7 70.994 13.863 -4.992 1.00 1.08 C ATOM 90 O ALA A 7 71.600 13.977 -6.037 1.00 1.19 O ATOM 91 CB ALA A 7 70.160 16.025 -4.015 1.00 1.36 C ATOM 0 H ALA A 7 68.645 14.569 -2.876 1.00 1.07 H new ATOM 0 HA ALA A 7 69.253 14.888 -5.645 1.00 1.20 H new ATOM 0 HB1 ALA A 7 70.809 16.595 -4.680 1.00 1.36 H new ATOM 0 HB2 ALA A 7 69.267 16.609 -3.792 1.00 1.36 H new ATOM 0 HB3 ALA A 7 70.691 15.806 -3.089 1.00 1.36 H new ATOM 97 N ALA A 8 71.374 13.011 -4.079 1.00 0.95 N ATOM 98 CA ALA A 8 72.572 12.152 -4.310 1.00 0.96 C ATOM 99 C ALA A 8 72.203 10.935 -5.164 1.00 0.90 C ATOM 100 O ALA A 8 72.940 10.535 -6.043 1.00 1.01 O ATOM 101 CB ALA A 8 73.012 11.709 -2.915 1.00 0.98 C ATOM 0 H ALA A 8 70.907 12.872 -3.183 1.00 0.95 H new ATOM 0 HA ALA A 8 73.361 12.683 -4.842 1.00 0.96 H new ATOM 0 HB1 ALA A 8 73.892 11.071 -2.997 1.00 0.98 H new ATOM 0 HB2 ALA A 8 73.254 12.586 -2.314 1.00 0.98 H new ATOM 0 HB3 ALA A 8 72.204 11.154 -2.438 1.00 0.98 H new ATOM 107 N VAL A 9 71.073 10.338 -4.903 1.00 0.83 N ATOM 108 CA VAL A 9 70.659 9.139 -5.689 1.00 0.82 C ATOM 109 C VAL A 9 70.384 9.513 -7.150 1.00 0.97 C ATOM 110 O VAL A 9 70.505 8.693 -8.039 1.00 1.02 O ATOM 111 CB VAL A 9 69.382 8.647 -5.011 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.689 7.618 -5.906 1.00 1.05 C ATOM 113 CG2 VAL A 9 69.737 7.997 -3.672 1.00 0.70 C ATOM 0 H VAL A 9 70.417 10.628 -4.178 1.00 0.83 H new ATOM 0 HA VAL A 9 71.436 8.375 -5.708 1.00 0.82 H new ATOM 0 HB VAL A 9 68.713 9.491 -4.843 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.778 7.268 -5.420 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.437 8.078 -6.862 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.357 6.774 -6.075 1.00 1.05 H new ATOM 0 HG21 VAL A 9 68.827 7.645 -3.186 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.407 7.154 -3.843 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.231 8.728 -3.032 1.00 0.70 H new ATOM 123 N GLU A 10 70.013 10.737 -7.410 1.00 1.12 N ATOM 124 CA GLU A 10 69.733 11.139 -8.819 1.00 1.32 C ATOM 125 C GLU A 10 71.030 11.133 -9.637 1.00 1.37 C ATOM 126 O GLU A 10 71.014 10.986 -10.843 1.00 1.56 O ATOM 127 CB GLU A 10 69.146 12.554 -8.727 1.00 1.51 C ATOM 128 CG GLU A 10 70.271 13.586 -8.597 1.00 1.80 C ATOM 129 CD GLU A 10 69.693 14.913 -8.103 1.00 2.02 C ATOM 130 OE1 GLU A 10 68.488 15.081 -8.192 1.00 2.28 O ATOM 131 OE2 GLU A 10 70.465 15.739 -7.644 1.00 2.61 O ATOM 0 H GLU A 10 69.892 11.472 -6.713 1.00 1.12 H new ATOM 0 HA GLU A 10 69.046 10.454 -9.316 1.00 1.32 H new ATOM 0 HB2 GLU A 10 68.549 12.766 -9.614 1.00 1.51 H new ATOM 0 HB3 GLU A 10 68.478 12.623 -7.869 1.00 1.51 H new ATOM 0 HG2 GLU A 10 71.030 13.227 -7.902 1.00 1.80 H new ATOM 0 HG3 GLU A 10 70.762 13.727 -9.560 1.00 1.80 H new ATOM 138 N GLN A 11 72.151 11.293 -8.989 1.00 1.29 N ATOM 139 CA GLN A 11 73.445 11.299 -9.728 1.00 1.45 C ATOM 140 C GLN A 11 73.986 9.873 -9.870 1.00 1.35 C ATOM 141 O GLN A 11 75.073 9.659 -10.367 1.00 1.53 O ATOM 142 CB GLN A 11 74.384 12.150 -8.871 1.00 1.61 C ATOM 143 CG GLN A 11 74.394 13.586 -9.400 1.00 2.13 C ATOM 144 CD GLN A 11 73.555 14.477 -8.482 1.00 2.44 C ATOM 145 OE1 GLN A 11 72.480 14.909 -8.851 1.00 2.96 O ATOM 146 NE2 GLN A 11 74.003 14.773 -7.293 1.00 2.71 N ATOM 0 H GLN A 11 72.227 11.420 -7.980 1.00 1.29 H new ATOM 0 HA GLN A 11 73.342 11.696 -10.738 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.058 12.136 -7.831 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.392 11.735 -8.894 1.00 1.61 H new ATOM 0 HG2 GLN A 11 75.417 13.959 -9.450 1.00 2.13 H new ATOM 0 HG3 GLN A 11 73.995 13.614 -10.414 1.00 2.13 H new ATOM 0 HE21 GLN A 11 74.905 14.411 -6.983 1.00 2.71 H new ATOM 0 HE22 GLN A 11 73.452 15.367 -6.673 1.00 2.71 H new ATOM 155 N LEU A 12 73.235 8.896 -9.439 1.00 1.18 N ATOM 156 CA LEU A 12 73.710 7.486 -9.553 1.00 1.21 C ATOM 157 C LEU A 12 73.920 7.117 -11.024 1.00 1.11 C ATOM 158 O LEU A 12 73.997 7.972 -11.884 1.00 1.25 O ATOM 159 CB LEU A 12 72.591 6.636 -8.949 1.00 1.32 C ATOM 160 CG LEU A 12 72.867 6.396 -7.463 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.826 5.422 -6.906 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.264 5.796 -7.292 1.00 1.68 C ATOM 0 H LEU A 12 72.315 9.012 -9.014 1.00 1.18 H new ATOM 0 HA LEU A 12 74.661 7.332 -9.043 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.632 7.139 -9.074 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.522 5.683 -9.474 1.00 1.32 H new ATOM 0 HG LEU A 12 72.810 7.342 -6.925 1.00 1.38 H new ATOM 0 HD11 LEU A 12 72.020 5.249 -5.847 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.829 5.846 -7.028 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.887 4.477 -7.445 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.460 5.625 -6.233 1.00 1.68 H new ATOM 0 HD22 LEU A 12 74.321 4.849 -7.829 1.00 1.68 H new ATOM 0 HD23 LEU A 12 75.008 6.485 -7.692 1.00 1.68 H new ATOM 174 N THR A 13 74.010 5.848 -11.318 1.00 1.05 N ATOM 175 CA THR A 13 74.212 5.420 -12.732 1.00 1.13 C ATOM 176 C THR A 13 73.154 4.383 -13.121 1.00 0.94 C ATOM 177 O THR A 13 72.801 3.523 -12.339 1.00 0.87 O ATOM 178 CB THR A 13 75.610 4.801 -12.765 1.00 1.38 C ATOM 179 OG1 THR A 13 75.620 3.618 -11.978 1.00 1.89 O ATOM 180 CG2 THR A 13 76.627 5.797 -12.205 1.00 1.68 C ATOM 0 H THR A 13 73.952 5.089 -10.639 1.00 1.05 H new ATOM 0 HA THR A 13 74.120 6.249 -13.434 1.00 1.13 H new ATOM 0 HB THR A 13 75.875 4.557 -13.794 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.522 3.236 -11.973 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.622 5.353 -12.230 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.619 6.704 -12.810 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.365 6.044 -11.176 1.00 1.68 H new ATOM 188 N GLU A 14 72.647 4.457 -14.321 1.00 0.94 N ATOM 189 CA GLU A 14 71.612 3.473 -14.753 1.00 0.90 C ATOM 190 C GLU A 14 72.017 2.058 -14.332 1.00 0.82 C ATOM 191 O GLU A 14 71.184 1.191 -14.153 1.00 0.82 O ATOM 192 CB GLU A 14 71.569 3.587 -16.277 1.00 1.05 C ATOM 193 CG GLU A 14 70.150 3.945 -16.723 1.00 2.10 C ATOM 194 CD GLU A 14 69.789 3.141 -17.973 1.00 2.64 C ATOM 195 OE1 GLU A 14 70.520 3.235 -18.945 1.00 2.91 O ATOM 196 OE2 GLU A 14 68.786 2.447 -17.939 1.00 3.31 O ATOM 0 H GLU A 14 72.903 5.154 -15.020 1.00 0.94 H new ATOM 0 HA GLU A 14 70.640 3.672 -14.301 1.00 0.90 H new ATOM 0 HB2 GLU A 14 72.271 4.349 -16.615 1.00 1.05 H new ATOM 0 HB3 GLU A 14 71.878 2.646 -16.731 1.00 1.05 H new ATOM 0 HG2 GLU A 14 69.441 3.731 -15.923 1.00 2.10 H new ATOM 0 HG3 GLU A 14 70.082 5.013 -16.932 1.00 2.10 H new ATOM 203 N GLU A 15 73.289 1.816 -14.178 1.00 0.92 N ATOM 204 CA GLU A 15 73.744 0.456 -13.772 1.00 1.01 C ATOM 205 C GLU A 15 73.483 0.228 -12.280 1.00 0.90 C ATOM 206 O GLU A 15 73.248 -0.882 -11.844 1.00 0.89 O ATOM 207 CB GLU A 15 75.245 0.438 -14.062 1.00 1.23 C ATOM 208 CG GLU A 15 75.599 -0.839 -14.826 1.00 1.92 C ATOM 209 CD GLU A 15 75.821 -1.980 -13.832 1.00 2.37 C ATOM 210 OE1 GLU A 15 75.371 -1.854 -12.705 1.00 2.80 O ATOM 211 OE2 GLU A 15 76.437 -2.962 -14.215 1.00 2.90 O ATOM 0 H GLU A 15 74.033 2.500 -14.315 1.00 0.92 H new ATOM 0 HA GLU A 15 73.214 -0.331 -14.308 1.00 1.01 H new ATOM 0 HB2 GLU A 15 75.524 1.314 -14.647 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.807 0.485 -13.129 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.797 -1.096 -15.518 1.00 1.92 H new ATOM 0 HG3 GLU A 15 76.497 -0.682 -15.423 1.00 1.92 H new ATOM 218 N GLN A 16 73.524 1.267 -11.493 1.00 0.89 N ATOM 219 CA GLN A 16 73.279 1.104 -10.031 1.00 0.87 C ATOM 220 C GLN A 16 71.776 1.040 -9.750 1.00 0.68 C ATOM 221 O GLN A 16 71.319 0.261 -8.937 1.00 0.67 O ATOM 222 CB GLN A 16 73.893 2.346 -9.387 1.00 0.97 C ATOM 223 CG GLN A 16 75.406 2.160 -9.265 1.00 1.77 C ATOM 224 CD GLN A 16 75.922 2.951 -8.061 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.822 2.503 -6.936 1.00 2.42 O ATOM 226 NE2 GLN A 16 76.472 4.119 -8.252 1.00 2.61 N ATOM 0 H GLN A 16 73.716 2.221 -11.798 1.00 0.89 H new ATOM 0 HA GLN A 16 73.713 0.184 -9.639 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.671 3.228 -9.988 1.00 0.97 H new ATOM 0 HB3 GLN A 16 73.455 2.513 -8.403 1.00 0.97 H new ATOM 0 HG2 GLN A 16 75.645 1.103 -9.149 1.00 1.77 H new ATOM 0 HG3 GLN A 16 75.900 2.500 -10.175 1.00 1.77 H new ATOM 0 HE21 GLN A 16 76.556 4.495 -9.196 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.818 4.656 -7.457 1.00 2.61 H new ATOM 235 N LYS A 17 71.003 1.853 -10.416 1.00 0.63 N ATOM 236 CA LYS A 17 69.530 1.838 -10.185 1.00 0.62 C ATOM 237 C LYS A 17 68.924 0.535 -10.717 1.00 0.60 C ATOM 238 O LYS A 17 68.149 -0.119 -10.047 1.00 0.66 O ATOM 239 CB LYS A 17 68.995 3.038 -10.968 1.00 0.74 C ATOM 240 CG LYS A 17 69.799 4.286 -10.600 1.00 1.21 C ATOM 241 CD LYS A 17 68.908 5.524 -10.729 1.00 1.31 C ATOM 242 CE LYS A 17 68.553 6.045 -9.333 1.00 1.43 C ATOM 243 NZ LYS A 17 67.667 7.217 -9.575 1.00 2.06 N ATOM 0 H LYS A 17 71.327 2.527 -11.110 1.00 0.63 H new ATOM 0 HA LYS A 17 69.277 1.896 -9.126 1.00 0.62 H new ATOM 0 HB2 LYS A 17 69.067 2.849 -12.039 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.940 3.192 -10.742 1.00 0.74 H new ATOM 0 HG2 LYS A 17 70.176 4.201 -9.581 1.00 1.21 H new ATOM 0 HG3 LYS A 17 70.666 4.379 -11.254 1.00 1.21 H new ATOM 0 HD2 LYS A 17 69.423 6.298 -11.298 1.00 1.31 H new ATOM 0 HD3 LYS A 17 68.000 5.276 -11.278 1.00 1.31 H new ATOM 0 HE2 LYS A 17 68.046 5.281 -8.744 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.447 6.333 -8.780 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 67.340 7.599 -8.665 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 68.195 7.951 -10.089 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 66.846 6.921 -10.141 1.00 2.06 H new ATOM 257 N ASN A 18 69.269 0.154 -11.917 1.00 0.70 N ATOM 258 CA ASN A 18 68.711 -1.105 -12.489 1.00 0.85 C ATOM 259 C ASN A 18 68.869 -2.256 -11.491 1.00 0.70 C ATOM 260 O ASN A 18 67.985 -3.073 -11.328 1.00 0.66 O ATOM 261 CB ASN A 18 69.538 -1.370 -13.747 1.00 1.11 C ATOM 262 CG ASN A 18 68.748 -0.926 -14.980 1.00 1.68 C ATOM 263 OD1 ASN A 18 67.673 -1.428 -15.241 1.00 2.15 O ATOM 264 ND2 ASN A 18 69.240 0.002 -15.755 1.00 2.13 N ATOM 0 H ASN A 18 69.913 0.660 -12.526 1.00 0.70 H new ATOM 0 HA ASN A 18 67.647 -1.021 -12.711 1.00 0.85 H new ATOM 0 HB2 ASN A 18 70.483 -0.830 -13.694 1.00 1.11 H new ATOM 0 HB3 ASN A 18 69.780 -2.430 -13.819 1.00 1.11 H new ATOM 0 HD21 ASN A 18 68.722 0.306 -16.580 1.00 2.13 H new ATOM 0 HD22 ASN A 18 70.143 0.424 -15.536 1.00 2.13 H new ATOM 271 N GLU A 19 69.988 -2.328 -10.823 1.00 0.76 N ATOM 272 CA GLU A 19 70.198 -3.428 -9.838 1.00 0.79 C ATOM 273 C GLU A 19 69.488 -3.104 -8.521 1.00 0.65 C ATOM 274 O GLU A 19 69.139 -3.985 -7.761 1.00 0.66 O ATOM 275 CB GLU A 19 71.711 -3.493 -9.629 1.00 0.98 C ATOM 276 CG GLU A 19 72.173 -4.950 -9.706 1.00 1.21 C ATOM 277 CD GLU A 19 73.696 -5.011 -9.585 1.00 1.82 C ATOM 278 OE1 GLU A 19 74.331 -3.995 -9.816 1.00 2.44 O ATOM 279 OE2 GLU A 19 74.203 -6.074 -9.264 1.00 2.53 O ATOM 0 H GLU A 19 70.765 -1.674 -10.916 1.00 0.76 H new ATOM 0 HA GLU A 19 69.795 -4.377 -10.190 1.00 0.79 H new ATOM 0 HB2 GLU A 19 72.220 -2.898 -10.388 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.974 -3.067 -8.661 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.711 -5.531 -8.908 1.00 1.21 H new ATOM 0 HG3 GLU A 19 71.855 -5.394 -10.649 1.00 1.21 H new ATOM 286 N PHE A 20 69.268 -1.847 -8.248 1.00 0.67 N ATOM 287 CA PHE A 20 68.578 -1.470 -6.981 1.00 0.75 C ATOM 288 C PHE A 20 67.062 -1.609 -7.143 1.00 0.66 C ATOM 289 O PHE A 20 66.440 -2.471 -6.553 1.00 0.79 O ATOM 290 CB PHE A 20 68.956 -0.007 -6.739 1.00 0.97 C ATOM 291 CG PHE A 20 70.445 0.119 -6.490 1.00 1.44 C ATOM 292 CD1 PHE A 20 71.216 -1.012 -6.178 1.00 2.35 C ATOM 293 CD2 PHE A 20 71.056 1.377 -6.569 1.00 2.24 C ATOM 294 CE1 PHE A 20 72.591 -0.880 -5.948 1.00 3.36 C ATOM 295 CE2 PHE A 20 72.431 1.507 -6.338 1.00 3.29 C ATOM 296 CZ PHE A 20 73.198 0.378 -6.027 1.00 3.69 C ATOM 0 H PHE A 20 69.536 -1.065 -8.846 1.00 0.67 H new ATOM 0 HA PHE A 20 68.871 -2.110 -6.148 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.673 0.596 -7.602 1.00 0.97 H new ATOM 0 HB3 PHE A 20 68.404 0.381 -5.883 1.00 0.97 H new ATOM 0 HD1 PHE A 20 70.749 -1.984 -6.115 1.00 2.35 H new ATOM 0 HD2 PHE A 20 70.465 2.249 -6.809 1.00 2.24 H new ATOM 0 HE1 PHE A 20 73.184 -1.751 -5.709 1.00 3.36 H new ATOM 0 HE2 PHE A 20 72.900 2.478 -6.400 1.00 3.29 H new ATOM 0 HZ PHE A 20 74.258 0.478 -5.848 1.00 3.69 H new ATOM 306 N LYS A 21 66.462 -0.763 -7.935 1.00 0.60 N ATOM 307 CA LYS A 21 64.985 -0.840 -8.134 1.00 0.65 C ATOM 308 C LYS A 21 64.553 -2.288 -8.387 1.00 0.57 C ATOM 309 O LYS A 21 63.717 -2.827 -7.690 1.00 0.57 O ATOM 310 CB LYS A 21 64.704 0.026 -9.362 1.00 0.78 C ATOM 311 CG LYS A 21 63.488 0.915 -9.093 1.00 1.27 C ATOM 312 CD LYS A 21 62.296 0.043 -8.695 1.00 1.58 C ATOM 313 CE LYS A 21 62.169 0.017 -7.170 1.00 2.42 C ATOM 314 NZ LYS A 21 60.714 0.186 -6.902 1.00 2.88 N ATOM 0 H LYS A 21 66.931 -0.020 -8.454 1.00 0.60 H new ATOM 0 HA LYS A 21 64.435 -0.497 -7.258 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.574 0.641 -9.593 1.00 0.78 H new ATOM 0 HB3 LYS A 21 64.521 -0.606 -10.231 1.00 0.78 H new ATOM 0 HG2 LYS A 21 63.713 1.626 -8.298 1.00 1.27 H new ATOM 0 HG3 LYS A 21 63.246 1.497 -9.982 1.00 1.27 H new ATOM 0 HD2 LYS A 21 61.381 0.434 -9.140 1.00 1.58 H new ATOM 0 HD3 LYS A 21 62.429 -0.969 -9.077 1.00 1.58 H new ATOM 0 HE2 LYS A 21 62.540 -0.922 -6.759 1.00 2.42 H new ATOM 0 HE3 LYS A 21 62.750 0.817 -6.712 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 60.441 -0.398 -6.086 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 60.513 1.185 -6.696 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 60.170 -0.112 -7.737 1.00 2.88 H new ATOM 328 N ALA A 22 65.116 -2.922 -9.380 1.00 0.59 N ATOM 329 CA ALA A 22 64.733 -4.332 -9.673 1.00 0.62 C ATOM 330 C ALA A 22 64.760 -5.161 -8.388 1.00 0.50 C ATOM 331 O ALA A 22 63.781 -5.772 -8.010 1.00 0.50 O ATOM 332 CB ALA A 22 65.791 -4.834 -10.656 1.00 0.76 C ATOM 0 H ALA A 22 65.823 -2.525 -9.999 1.00 0.59 H new ATOM 0 HA ALA A 22 63.726 -4.411 -10.083 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.579 -5.870 -10.922 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.774 -4.218 -11.555 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.776 -4.773 -10.193 1.00 0.76 H new ATOM 338 N ALA A 23 65.875 -5.185 -7.712 1.00 0.50 N ATOM 339 CA ALA A 23 65.963 -5.973 -6.450 1.00 0.53 C ATOM 340 C ALA A 23 64.732 -5.708 -5.579 1.00 0.46 C ATOM 341 O ALA A 23 64.022 -6.615 -5.197 1.00 0.52 O ATOM 342 CB ALA A 23 67.230 -5.473 -5.759 1.00 0.64 C ATOM 0 H ALA A 23 66.728 -4.694 -7.978 1.00 0.50 H new ATOM 0 HA ALA A 23 65.998 -7.047 -6.632 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.366 -6.006 -4.818 1.00 0.64 H new ATOM 0 HB2 ALA A 23 68.090 -5.650 -6.404 1.00 0.64 H new ATOM 0 HB3 ALA A 23 67.139 -4.405 -5.561 1.00 0.64 H new ATOM 348 N PHE A 24 64.475 -4.467 -5.267 1.00 0.47 N ATOM 349 CA PHE A 24 63.288 -4.141 -4.423 1.00 0.57 C ATOM 350 C PHE A 24 62.047 -4.860 -4.959 1.00 0.48 C ATOM 351 O PHE A 24 61.296 -5.460 -4.217 1.00 0.51 O ATOM 352 CB PHE A 24 63.126 -2.625 -4.544 1.00 0.77 C ATOM 353 CG PHE A 24 61.797 -2.209 -3.958 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.611 -2.473 -4.655 1.00 1.58 C ATOM 355 CD2 PHE A 24 61.749 -1.557 -2.719 1.00 1.54 C ATOM 356 CE1 PHE A 24 59.379 -2.087 -4.113 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.518 -1.171 -2.178 1.00 1.62 C ATOM 358 CZ PHE A 24 59.332 -1.436 -2.874 1.00 1.25 C ATOM 0 H PHE A 24 65.034 -3.665 -5.559 1.00 0.47 H new ATOM 0 HA PHE A 24 63.414 -4.457 -3.387 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.939 -2.120 -4.023 1.00 0.77 H new ATOM 0 HB3 PHE A 24 63.183 -2.325 -5.590 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.647 -2.974 -5.611 1.00 1.58 H new ATOM 0 HD2 PHE A 24 62.663 -1.352 -2.181 1.00 1.54 H new ATOM 0 HE1 PHE A 24 58.465 -2.291 -4.651 1.00 1.72 H new ATOM 0 HE2 PHE A 24 60.482 -0.668 -1.223 1.00 1.62 H new ATOM 0 HZ PHE A 24 58.382 -1.139 -2.456 1.00 1.25 H new ATOM 368 N ASP A 25 61.826 -4.802 -6.244 1.00 0.45 N ATOM 369 CA ASP A 25 60.632 -5.481 -6.829 1.00 0.53 C ATOM 370 C ASP A 25 60.771 -7.000 -6.707 1.00 0.52 C ATOM 371 O ASP A 25 59.796 -7.715 -6.576 1.00 0.60 O ATOM 372 CB ASP A 25 60.621 -5.063 -8.300 1.00 0.66 C ATOM 373 CG ASP A 25 59.736 -3.827 -8.473 1.00 0.98 C ATOM 374 OD1 ASP A 25 59.050 -3.477 -7.527 1.00 1.52 O ATOM 375 OD2 ASP A 25 59.759 -3.253 -9.549 1.00 1.55 O ATOM 0 H ASP A 25 62.420 -4.314 -6.915 1.00 0.45 H new ATOM 0 HA ASP A 25 59.710 -5.205 -6.317 1.00 0.53 H new ATOM 0 HB2 ASP A 25 61.635 -4.847 -8.635 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.248 -5.880 -8.918 1.00 0.66 H new ATOM 380 N ILE A 26 61.975 -7.501 -6.755 1.00 0.50 N ATOM 381 CA ILE A 26 62.175 -8.976 -6.649 1.00 0.63 C ATOM 382 C ILE A 26 62.164 -9.414 -5.182 1.00 0.70 C ATOM 383 O ILE A 26 62.206 -10.589 -4.876 1.00 0.94 O ATOM 384 CB ILE A 26 63.547 -9.231 -7.272 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.594 -8.604 -8.668 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.789 -10.737 -7.381 1.00 0.94 C ATOM 387 CD1 ILE A 26 65.050 -8.393 -9.083 1.00 0.69 C ATOM 0 H ILE A 26 62.829 -6.954 -6.863 1.00 0.50 H new ATOM 0 HA ILE A 26 61.385 -9.535 -7.150 1.00 0.63 H new ATOM 0 HB ILE A 26 64.319 -8.786 -6.645 1.00 0.68 H new ATOM 0 HG12 ILE A 26 63.090 -9.251 -9.386 1.00 0.72 H new ATOM 0 HG13 ILE A 26 63.063 -7.652 -8.669 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.768 -10.917 -7.826 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.754 -11.184 -6.387 1.00 0.94 H new ATOM 0 HG23 ILE A 26 63.018 -11.185 -8.008 1.00 0.94 H new ATOM 0 HD11 ILE A 26 65.084 -7.947 -10.077 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.539 -7.729 -8.370 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.567 -9.353 -9.098 1.00 0.69 H new ATOM 399 N PHE A 27 62.110 -8.482 -4.270 1.00 0.61 N ATOM 400 CA PHE A 27 62.099 -8.856 -2.826 1.00 0.79 C ATOM 401 C PHE A 27 60.826 -8.339 -2.150 1.00 0.76 C ATOM 402 O PHE A 27 60.564 -8.627 -0.999 1.00 1.03 O ATOM 403 CB PHE A 27 63.336 -8.181 -2.232 1.00 0.91 C ATOM 404 CG PHE A 27 64.553 -9.028 -2.517 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.698 -10.276 -1.899 1.00 2.23 C ATOM 406 CD2 PHE A 27 65.538 -8.565 -3.399 1.00 2.07 C ATOM 407 CE1 PHE A 27 65.826 -11.062 -2.163 1.00 3.07 C ATOM 408 CE2 PHE A 27 66.666 -9.351 -3.662 1.00 2.83 C ATOM 409 CZ PHE A 27 66.810 -10.599 -3.045 1.00 3.21 C ATOM 0 H PHE A 27 62.073 -7.481 -4.461 1.00 0.61 H new ATOM 0 HA PHE A 27 62.115 -9.936 -2.681 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.463 -7.187 -2.660 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.213 -8.052 -1.157 1.00 0.91 H new ATOM 0 HD1 PHE A 27 63.939 -10.632 -1.218 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.427 -7.602 -3.876 1.00 2.07 H new ATOM 0 HE1 PHE A 27 65.937 -12.025 -1.687 1.00 3.07 H new ATOM 0 HE2 PHE A 27 67.426 -8.994 -4.342 1.00 2.83 H new ATOM 0 HZ PHE A 27 67.680 -11.205 -3.249 1.00 3.21 H new ATOM 419 N VAL A 28 60.032 -7.581 -2.855 1.00 0.63 N ATOM 420 CA VAL A 28 58.780 -7.053 -2.250 1.00 0.65 C ATOM 421 C VAL A 28 57.567 -7.780 -2.846 1.00 0.65 C ATOM 422 O VAL A 28 56.437 -7.519 -2.487 1.00 0.74 O ATOM 423 CB VAL A 28 58.783 -5.563 -2.609 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.350 -5.044 -2.749 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.494 -4.789 -1.501 1.00 1.47 C ATOM 0 H VAL A 28 60.197 -7.305 -3.823 1.00 0.63 H new ATOM 0 HA VAL A 28 58.724 -7.203 -1.172 1.00 0.65 H new ATOM 0 HB VAL A 28 59.300 -5.425 -3.559 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.370 -3.984 -3.004 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.838 -5.597 -3.536 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.820 -5.180 -1.806 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.502 -3.727 -1.746 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.969 -4.940 -0.558 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.519 -5.147 -1.407 1.00 1.47 H new ATOM 435 N LEU A 29 57.798 -8.692 -3.750 1.00 0.92 N ATOM 436 CA LEU A 29 56.664 -9.440 -4.362 1.00 0.99 C ATOM 437 C LEU A 29 55.797 -10.060 -3.267 1.00 0.99 C ATOM 438 O LEU A 29 54.603 -10.225 -3.421 1.00 1.10 O ATOM 439 CB LEU A 29 57.329 -10.532 -5.194 1.00 1.43 C ATOM 440 CG LEU A 29 57.106 -10.262 -6.685 1.00 1.74 C ATOM 441 CD1 LEU A 29 57.360 -8.784 -6.987 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.072 -11.119 -7.506 1.00 2.45 C ATOM 0 H LEU A 29 58.723 -8.952 -4.091 1.00 0.92 H new ATOM 0 HA LEU A 29 56.015 -8.802 -4.962 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.397 -10.566 -4.978 1.00 1.43 H new ATOM 0 HB3 LEU A 29 56.918 -11.506 -4.927 1.00 1.43 H new ATOM 0 HG LEU A 29 56.078 -10.513 -6.946 1.00 1.74 H new ATOM 0 HD11 LEU A 29 57.200 -8.597 -8.049 1.00 2.11 H new ATOM 0 HD12 LEU A 29 56.674 -8.170 -6.403 1.00 2.11 H new ATOM 0 HD13 LEU A 29 58.387 -8.530 -6.725 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.915 -10.928 -8.568 1.00 2.45 H new ATOM 0 HD22 LEU A 29 59.098 -10.867 -7.240 1.00 2.45 H new ATOM 0 HD23 LEU A 29 57.892 -12.173 -7.296 1.00 2.45 H new ATOM 454 N GLY A 30 56.394 -10.401 -2.159 1.00 1.16 N ATOM 455 CA GLY A 30 55.613 -11.007 -1.046 1.00 1.58 C ATOM 456 C GLY A 30 55.600 -10.041 0.138 1.00 1.39 C ATOM 457 O GLY A 30 55.125 -10.359 1.210 1.00 1.89 O ATOM 0 H GLY A 30 57.391 -10.286 -1.976 1.00 1.16 H new ATOM 0 HA2 GLY A 30 54.594 -11.217 -1.372 1.00 1.58 H new ATOM 0 HA3 GLY A 30 56.055 -11.958 -0.751 1.00 1.58 H new ATOM 461 N ALA A 31 56.124 -8.859 -0.051 1.00 0.90 N ATOM 462 CA ALA A 31 56.146 -7.865 1.061 1.00 0.95 C ATOM 463 C ALA A 31 54.751 -7.716 1.672 1.00 1.15 C ATOM 464 O ALA A 31 53.828 -8.424 1.320 1.00 1.41 O ATOM 465 CB ALA A 31 56.586 -6.556 0.406 1.00 0.97 C ATOM 0 H ALA A 31 56.537 -8.539 -0.927 1.00 0.90 H new ATOM 0 HA ALA A 31 56.812 -8.165 1.870 1.00 0.95 H new ATOM 0 HB1 ALA A 31 56.628 -5.769 1.159 1.00 0.97 H new ATOM 0 HB2 ALA A 31 57.572 -6.686 -0.039 1.00 0.97 H new ATOM 0 HB3 ALA A 31 55.872 -6.279 -0.369 1.00 0.97 H new ATOM 471 N GLU A 32 54.588 -6.797 2.585 1.00 1.35 N ATOM 472 CA GLU A 32 53.253 -6.600 3.219 1.00 1.90 C ATOM 473 C GLU A 32 52.693 -5.225 2.845 1.00 2.05 C ATOM 474 O GLU A 32 51.497 -5.036 2.742 1.00 2.79 O ATOM 475 CB GLU A 32 53.512 -6.680 4.723 1.00 2.37 C ATOM 476 CG GLU A 32 54.380 -5.496 5.154 1.00 2.44 C ATOM 477 CD GLU A 32 54.467 -5.455 6.681 1.00 2.83 C ATOM 478 OE1 GLU A 32 53.713 -6.171 7.317 1.00 3.24 O ATOM 479 OE2 GLU A 32 55.289 -4.708 7.187 1.00 3.29 O ATOM 0 H GLU A 32 55.323 -6.173 2.920 1.00 1.35 H new ATOM 0 HA GLU A 32 52.525 -7.343 2.892 1.00 1.90 H new ATOM 0 HB2 GLU A 32 52.567 -6.669 5.267 1.00 2.37 H new ATOM 0 HB3 GLU A 32 54.010 -7.618 4.968 1.00 2.37 H new ATOM 0 HG2 GLU A 32 55.378 -5.588 4.725 1.00 2.44 H new ATOM 0 HG3 GLU A 32 53.956 -4.565 4.778 1.00 2.44 H new ATOM 486 N ASP A 33 53.551 -4.265 2.638 1.00 1.80 N ATOM 487 CA ASP A 33 53.076 -2.902 2.269 1.00 2.11 C ATOM 488 C ASP A 33 53.951 -2.325 1.155 1.00 1.47 C ATOM 489 O ASP A 33 54.175 -1.133 1.082 1.00 1.80 O ATOM 490 CB ASP A 33 53.219 -2.074 3.546 1.00 3.12 C ATOM 491 CG ASP A 33 51.834 -1.679 4.057 1.00 3.68 C ATOM 492 OD1 ASP A 33 51.047 -1.193 3.261 1.00 4.09 O ATOM 493 OD2 ASP A 33 51.581 -1.871 5.236 1.00 4.12 O ATOM 0 H ASP A 33 54.564 -4.366 2.709 1.00 1.80 H new ATOM 0 HA ASP A 33 52.051 -2.906 1.899 1.00 2.11 H new ATOM 0 HB2 ASP A 33 53.749 -2.648 4.306 1.00 3.12 H new ATOM 0 HB3 ASP A 33 53.813 -1.182 3.349 1.00 3.12 H new ATOM 498 N GLY A 34 54.450 -3.163 0.288 1.00 1.10 N ATOM 499 CA GLY A 34 55.313 -2.662 -0.819 1.00 1.40 C ATOM 500 C GLY A 34 56.575 -2.032 -0.228 1.00 1.17 C ATOM 501 O GLY A 34 57.031 -0.997 -0.672 1.00 1.39 O ATOM 0 H GLY A 34 54.298 -4.172 0.298 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.580 -3.481 -1.487 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.771 -1.928 -1.415 1.00 1.40 H new ATOM 505 N SER A 35 57.142 -2.647 0.773 1.00 0.84 N ATOM 506 CA SER A 35 58.373 -2.081 1.394 1.00 0.70 C ATOM 507 C SER A 35 59.315 -3.211 1.818 1.00 0.67 C ATOM 508 O SER A 35 58.923 -4.359 1.907 1.00 0.80 O ATOM 509 CB SER A 35 57.879 -1.309 2.618 1.00 0.75 C ATOM 510 OG SER A 35 56.498 -1.010 2.457 1.00 1.04 O ATOM 0 H SER A 35 56.807 -3.516 1.188 1.00 0.84 H new ATOM 0 HA SER A 35 58.928 -1.443 0.706 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.032 -1.899 3.521 1.00 0.75 H new ATOM 0 HB3 SER A 35 58.451 -0.389 2.738 1.00 0.75 H new ATOM 0 HG SER A 35 56.177 -0.516 3.240 1.00 1.04 H new ATOM 516 N ILE A 36 60.553 -2.898 2.080 1.00 0.69 N ATOM 517 CA ILE A 36 61.517 -3.959 2.500 1.00 0.78 C ATOM 518 C ILE A 36 62.230 -3.545 3.788 1.00 0.71 C ATOM 519 O ILE A 36 63.180 -2.791 3.769 1.00 0.98 O ATOM 520 CB ILE A 36 62.532 -4.107 1.354 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.601 -2.822 0.515 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.113 -5.271 0.457 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.485 -3.060 -0.711 1.00 1.22 C ATOM 0 H ILE A 36 60.941 -1.956 2.022 1.00 0.69 H new ATOM 0 HA ILE A 36 61.005 -4.901 2.696 1.00 0.78 H new ATOM 0 HB ILE A 36 63.516 -4.296 1.783 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.600 -2.525 0.203 1.00 1.09 H new ATOM 0 HG13 ILE A 36 63.004 -2.005 1.114 1.00 1.09 H new ATOM 0 HG21 ILE A 36 62.830 -5.380 -0.357 1.00 1.36 H new ATOM 0 HG22 ILE A 36 62.087 -6.190 1.042 1.00 1.36 H new ATOM 0 HG23 ILE A 36 61.123 -5.075 0.045 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.534 -2.148 -1.307 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.488 -3.337 -0.388 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.063 -3.865 -1.313 1.00 1.22 H new ATOM 535 N SER A 37 61.779 -4.038 4.909 1.00 0.87 N ATOM 536 CA SER A 37 62.433 -3.676 6.198 1.00 0.87 C ATOM 537 C SER A 37 63.697 -4.515 6.398 1.00 0.76 C ATOM 538 O SER A 37 63.995 -5.399 5.620 1.00 0.87 O ATOM 539 CB SER A 37 61.398 -4.002 7.274 1.00 1.12 C ATOM 540 OG SER A 37 62.067 -4.295 8.494 1.00 1.52 O ATOM 0 H SER A 37 60.987 -4.675 4.988 1.00 0.87 H new ATOM 0 HA SER A 37 62.735 -2.629 6.230 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.720 -3.159 7.411 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.791 -4.853 6.965 1.00 1.12 H new ATOM 0 HG SER A 37 62.227 -3.463 8.987 1.00 1.52 H new ATOM 546 N THR A 38 64.439 -4.243 7.436 1.00 0.71 N ATOM 547 CA THR A 38 65.688 -5.026 7.694 1.00 0.65 C ATOM 548 C THR A 38 65.461 -6.512 7.395 1.00 0.70 C ATOM 549 O THR A 38 66.379 -7.235 7.062 1.00 1.37 O ATOM 550 CB THR A 38 66.018 -4.825 9.181 1.00 0.76 C ATOM 551 OG1 THR A 38 66.718 -5.962 9.662 1.00 1.55 O ATOM 552 CG2 THR A 38 64.735 -4.644 9.992 1.00 1.00 C ATOM 0 H THR A 38 64.237 -3.513 8.119 1.00 0.71 H new ATOM 0 HA THR A 38 66.505 -4.690 7.055 1.00 0.65 H new ATOM 0 HB THR A 38 66.634 -3.932 9.289 1.00 0.76 H new ATOM 0 HG1 THR A 38 66.932 -5.837 10.610 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.986 -4.503 11.043 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.194 -3.771 9.627 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.109 -5.529 9.884 1.00 1.00 H new ATOM 560 N LYS A 39 64.246 -6.974 7.516 1.00 0.60 N ATOM 561 CA LYS A 39 63.963 -8.415 7.243 1.00 0.66 C ATOM 562 C LYS A 39 63.758 -8.660 5.742 1.00 0.64 C ATOM 563 O LYS A 39 63.964 -9.753 5.255 1.00 0.87 O ATOM 564 CB LYS A 39 62.676 -8.715 8.014 1.00 0.81 C ATOM 565 CG LYS A 39 62.996 -9.583 9.234 1.00 1.42 C ATOM 566 CD LYS A 39 64.204 -9.007 9.974 1.00 1.58 C ATOM 567 CE LYS A 39 63.940 -9.031 11.482 1.00 2.15 C ATOM 568 NZ LYS A 39 63.422 -10.401 11.759 1.00 2.80 N ATOM 0 H LYS A 39 63.437 -6.418 7.792 1.00 0.60 H new ATOM 0 HA LYS A 39 64.790 -9.056 7.550 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.205 -7.784 8.331 1.00 0.81 H new ATOM 0 HB3 LYS A 39 61.964 -9.228 7.367 1.00 0.81 H new ATOM 0 HG2 LYS A 39 62.134 -9.623 9.900 1.00 1.42 H new ATOM 0 HG3 LYS A 39 63.204 -10.606 8.920 1.00 1.42 H new ATOM 0 HD2 LYS A 39 65.097 -9.587 9.741 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.393 -7.986 9.644 1.00 1.58 H new ATOM 0 HE2 LYS A 39 64.851 -8.832 12.046 1.00 2.15 H new ATOM 0 HE3 LYS A 39 63.215 -8.269 11.768 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 63.686 -10.683 12.724 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 62.386 -10.405 11.668 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 63.832 -11.071 11.078 1.00 2.80 H new ATOM 582 N GLU A 40 63.347 -7.662 5.006 1.00 0.63 N ATOM 583 CA GLU A 40 63.127 -7.862 3.543 1.00 0.68 C ATOM 584 C GLU A 40 64.247 -7.199 2.737 1.00 0.66 C ATOM 585 O GLU A 40 64.574 -7.624 1.647 1.00 0.83 O ATOM 586 CB GLU A 40 61.784 -7.190 3.253 1.00 0.86 C ATOM 587 CG GLU A 40 60.703 -8.258 3.073 1.00 1.05 C ATOM 588 CD GLU A 40 61.152 -9.265 2.013 1.00 1.54 C ATOM 589 OE1 GLU A 40 61.741 -8.840 1.032 1.00 1.92 O ATOM 590 OE2 GLU A 40 60.900 -10.444 2.198 1.00 2.32 O ATOM 0 H GLU A 40 63.155 -6.722 5.352 1.00 0.63 H new ATOM 0 HA GLU A 40 63.126 -8.916 3.267 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.516 -6.522 4.071 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.859 -6.579 2.354 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.519 -8.767 4.019 1.00 1.05 H new ATOM 0 HG3 GLU A 40 59.764 -7.793 2.773 1.00 1.05 H new ATOM 597 N LEU A 41 64.838 -6.161 3.262 1.00 0.73 N ATOM 598 CA LEU A 41 65.935 -5.474 2.520 1.00 0.80 C ATOM 599 C LEU A 41 67.233 -6.278 2.629 1.00 0.72 C ATOM 600 O LEU A 41 68.008 -6.350 1.696 1.00 0.81 O ATOM 601 CB LEU A 41 66.088 -4.116 3.205 1.00 1.10 C ATOM 602 CG LEU A 41 66.802 -3.148 2.261 1.00 1.23 C ATOM 603 CD1 LEU A 41 68.192 -3.692 1.926 1.00 1.94 C ATOM 604 CD2 LEU A 41 65.988 -3.004 0.973 1.00 1.83 C ATOM 0 H LEU A 41 64.610 -5.759 4.171 1.00 0.73 H new ATOM 0 HA LEU A 41 65.713 -5.372 1.458 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.109 -3.721 3.476 1.00 1.10 H new ATOM 0 HB3 LEU A 41 66.655 -4.225 4.129 1.00 1.10 H new ATOM 0 HG LEU A 41 66.900 -2.175 2.743 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.700 -3.002 1.253 1.00 1.94 H new ATOM 0 HD12 LEU A 41 68.772 -3.798 2.843 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.095 -4.664 1.443 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.494 -2.314 0.298 1.00 1.83 H new ATOM 0 HD22 LEU A 41 65.892 -3.978 0.492 1.00 1.83 H new ATOM 0 HD23 LEU A 41 64.997 -2.617 1.210 1.00 1.83 H new ATOM 616 N GLY A 42 67.475 -6.880 3.761 1.00 0.72 N ATOM 617 CA GLY A 42 68.723 -7.677 3.930 1.00 0.91 C ATOM 618 C GLY A 42 68.968 -8.520 2.678 1.00 0.78 C ATOM 619 O GLY A 42 69.972 -8.378 2.008 1.00 0.84 O ATOM 0 H GLY A 42 66.863 -6.854 4.576 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.570 -7.013 4.105 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.638 -8.322 4.804 1.00 0.91 H new ATOM 623 N LYS A 43 68.057 -9.397 2.355 1.00 0.77 N ATOM 624 CA LYS A 43 68.238 -10.247 1.145 1.00 0.86 C ATOM 625 C LYS A 43 68.628 -9.382 -0.056 1.00 0.79 C ATOM 626 O LYS A 43 69.489 -9.736 -0.837 1.00 0.99 O ATOM 627 CB LYS A 43 66.877 -10.904 0.914 1.00 0.95 C ATOM 628 CG LYS A 43 66.632 -11.965 1.987 1.00 1.34 C ATOM 629 CD LYS A 43 66.211 -13.277 1.321 1.00 2.13 C ATOM 630 CE LYS A 43 64.979 -13.840 2.032 1.00 2.65 C ATOM 631 NZ LYS A 43 65.430 -15.136 2.611 1.00 2.98 N ATOM 0 H LYS A 43 67.196 -9.561 2.877 1.00 0.77 H new ATOM 0 HA LYS A 43 69.029 -10.985 1.274 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.089 -10.152 0.945 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.845 -11.359 -0.076 1.00 0.95 H new ATOM 0 HG2 LYS A 43 67.537 -12.118 2.576 1.00 1.34 H new ATOM 0 HG3 LYS A 43 65.856 -11.629 2.675 1.00 1.34 H new ATOM 0 HD2 LYS A 43 65.990 -13.107 0.267 1.00 2.13 H new ATOM 0 HD3 LYS A 43 67.028 -13.997 1.363 1.00 2.13 H new ATOM 0 HE2 LYS A 43 64.627 -13.161 2.809 1.00 2.65 H new ATOM 0 HE3 LYS A 43 64.153 -13.984 1.336 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 64.639 -15.585 3.116 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 65.754 -15.764 1.847 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 66.213 -14.966 3.274 1.00 2.98 H new ATOM 645 N VAL A 44 68.002 -8.247 -0.208 1.00 0.72 N ATOM 646 CA VAL A 44 68.339 -7.359 -1.357 1.00 0.93 C ATOM 647 C VAL A 44 69.802 -6.919 -1.268 1.00 0.89 C ATOM 648 O VAL A 44 70.576 -7.112 -2.183 1.00 1.06 O ATOM 649 CB VAL A 44 67.408 -6.156 -1.213 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.698 -5.148 -2.327 1.00 1.72 C ATOM 651 CG2 VAL A 44 65.955 -6.623 -1.316 1.00 1.80 C ATOM 0 H VAL A 44 67.273 -7.896 0.413 1.00 0.72 H new ATOM 0 HA VAL A 44 68.213 -7.858 -2.318 1.00 0.93 H new ATOM 0 HB VAL A 44 67.572 -5.684 -0.244 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.033 -4.290 -2.224 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.734 -4.815 -2.256 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.534 -5.619 -3.296 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.289 -5.766 -1.213 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.792 -7.095 -2.285 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.747 -7.341 -0.523 1.00 1.80 H new ATOM 661 N MET A 45 70.186 -6.328 -0.172 1.00 0.86 N ATOM 662 CA MET A 45 71.597 -5.872 -0.022 1.00 1.06 C ATOM 663 C MET A 45 72.567 -6.986 -0.428 1.00 1.08 C ATOM 664 O MET A 45 73.542 -6.754 -1.114 1.00 1.14 O ATOM 665 CB MET A 45 71.746 -5.554 1.465 1.00 1.34 C ATOM 666 CG MET A 45 71.327 -4.106 1.723 1.00 1.88 C ATOM 667 SD MET A 45 72.633 -2.990 1.152 1.00 2.45 S ATOM 668 CE MET A 45 72.968 -2.197 2.743 1.00 3.35 C ATOM 0 H MET A 45 69.583 -6.140 0.629 1.00 0.86 H new ATOM 0 HA MET A 45 71.822 -5.013 -0.654 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.131 -6.232 2.056 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.779 -5.706 1.778 1.00 1.34 H new ATOM 0 HG2 MET A 45 70.394 -3.888 1.203 1.00 1.88 H new ATOM 0 HG3 MET A 45 71.142 -3.953 2.786 1.00 1.88 H new ATOM 0 HE1 MET A 45 73.976 -1.783 2.738 1.00 3.35 H new ATOM 0 HE2 MET A 45 72.248 -1.396 2.909 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.882 -2.934 3.542 1.00 3.35 H new ATOM 678 N ARG A 46 72.308 -8.190 -0.003 1.00 1.20 N ATOM 679 CA ARG A 46 73.214 -9.322 -0.353 1.00 1.46 C ATOM 680 C ARG A 46 73.177 -9.600 -1.859 1.00 1.52 C ATOM 681 O ARG A 46 74.073 -10.212 -2.407 1.00 1.73 O ATOM 682 CB ARG A 46 72.660 -10.515 0.425 1.00 1.74 C ATOM 683 CG ARG A 46 73.687 -11.651 0.439 1.00 1.93 C ATOM 684 CD ARG A 46 73.195 -12.763 1.369 1.00 2.48 C ATOM 685 NE ARG A 46 74.244 -13.817 1.304 1.00 2.64 N ATOM 686 CZ ARG A 46 74.390 -14.649 2.299 1.00 3.08 C ATOM 687 NH1 ARG A 46 74.645 -14.195 3.496 1.00 3.41 N ATOM 688 NH2 ARG A 46 74.277 -15.934 2.099 1.00 3.64 N ATOM 0 H ARG A 46 71.505 -8.441 0.574 1.00 1.20 H new ATOM 0 HA ARG A 46 74.253 -9.110 -0.103 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.422 -10.216 1.446 1.00 1.74 H new ATOM 0 HB3 ARG A 46 71.731 -10.858 -0.031 1.00 1.74 H new ATOM 0 HG2 ARG A 46 73.830 -12.040 -0.569 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.654 -11.279 0.777 1.00 1.93 H new ATOM 0 HD2 ARG A 46 73.067 -12.397 2.388 1.00 2.48 H new ATOM 0 HD3 ARG A 46 72.228 -13.149 1.045 1.00 2.48 H new ATOM 0 HE ARG A 46 74.847 -13.889 0.484 1.00 2.64 H new ATOM 0 HH11 ARG A 46 74.730 -13.191 3.653 1.00 3.41 H new ATOM 0 HH12 ARG A 46 74.759 -14.844 4.274 1.00 3.41 H new ATOM 0 HH21 ARG A 46 74.074 -16.289 1.164 1.00 3.64 H new ATOM 0 HH22 ARG A 46 74.391 -16.583 2.877 1.00 3.64 H new ATOM 702 N MET A 47 72.148 -9.164 -2.534 1.00 1.46 N ATOM 703 CA MET A 47 72.065 -9.418 -4.003 1.00 1.73 C ATOM 704 C MET A 47 72.929 -8.410 -4.774 1.00 1.75 C ATOM 705 O MET A 47 73.391 -8.683 -5.863 1.00 2.01 O ATOM 706 CB MET A 47 70.576 -9.272 -4.355 1.00 1.70 C ATOM 707 CG MET A 47 70.249 -7.819 -4.711 1.00 1.96 C ATOM 708 SD MET A 47 70.361 -7.597 -6.504 1.00 1.94 S ATOM 709 CE MET A 47 68.656 -8.054 -6.900 1.00 1.52 C ATOM 0 H MET A 47 71.365 -8.646 -2.136 1.00 1.46 H new ATOM 0 HA MET A 47 72.440 -10.405 -4.274 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.329 -9.923 -5.194 1.00 1.70 H new ATOM 0 HB3 MET A 47 69.964 -9.593 -3.512 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.247 -7.565 -4.364 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.941 -7.145 -4.206 1.00 1.96 H new ATOM 0 HE1 MET A 47 68.255 -7.359 -7.638 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.635 -9.066 -7.305 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.049 -8.012 -5.996 1.00 1.52 H new ATOM 719 N LEU A 48 73.149 -7.248 -4.218 1.00 1.60 N ATOM 720 CA LEU A 48 73.981 -6.232 -4.929 1.00 1.69 C ATOM 721 C LEU A 48 75.455 -6.639 -4.881 1.00 1.68 C ATOM 722 O LEU A 48 76.262 -6.175 -5.662 1.00 1.99 O ATOM 723 CB LEU A 48 73.767 -4.915 -4.164 1.00 1.73 C ATOM 724 CG LEU A 48 72.459 -4.230 -4.594 1.00 1.75 C ATOM 725 CD1 LEU A 48 72.256 -4.365 -6.105 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.278 -4.872 -3.866 1.00 2.15 C ATOM 0 H LEU A 48 72.791 -6.959 -3.308 1.00 1.60 H new ATOM 0 HA LEU A 48 73.702 -6.138 -5.978 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.742 -5.113 -3.093 1.00 1.73 H new ATOM 0 HB3 LEU A 48 74.608 -4.245 -4.344 1.00 1.73 H new ATOM 0 HG LEU A 48 72.520 -3.172 -4.337 1.00 1.75 H new ATOM 0 HD11 LEU A 48 71.326 -3.875 -6.392 1.00 1.86 H new ATOM 0 HD12 LEU A 48 73.090 -3.896 -6.627 1.00 1.86 H new ATOM 0 HD13 LEU A 48 72.208 -5.420 -6.373 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.353 -4.384 -4.173 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.230 -5.932 -4.115 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.408 -4.758 -2.790 1.00 2.15 H new ATOM 738 N GLY A 49 75.814 -7.502 -3.972 1.00 1.63 N ATOM 739 CA GLY A 49 77.236 -7.934 -3.879 1.00 1.87 C ATOM 740 C GLY A 49 77.828 -7.456 -2.554 1.00 1.54 C ATOM 741 O GLY A 49 79.007 -7.184 -2.451 1.00 1.53 O ATOM 0 H GLY A 49 75.185 -7.926 -3.290 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.303 -9.020 -3.949 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.807 -7.525 -4.713 1.00 1.87 H new ATOM 745 N GLN A 50 77.017 -7.350 -1.538 1.00 1.37 N ATOM 746 CA GLN A 50 77.535 -6.888 -0.218 1.00 1.17 C ATOM 747 C GLN A 50 77.483 -8.030 0.799 1.00 1.24 C ATOM 748 O GLN A 50 77.017 -9.114 0.509 1.00 1.75 O ATOM 749 CB GLN A 50 76.598 -5.754 0.200 1.00 1.29 C ATOM 750 CG GLN A 50 76.571 -4.682 -0.891 1.00 1.28 C ATOM 751 CD GLN A 50 77.201 -3.395 -0.358 1.00 1.41 C ATOM 752 OE1 GLN A 50 78.158 -3.439 0.389 1.00 1.89 O ATOM 753 NE2 GLN A 50 76.701 -2.243 -0.711 1.00 1.85 N ATOM 0 H GLN A 50 76.020 -7.563 -1.564 1.00 1.37 H new ATOM 0 HA GLN A 50 78.573 -6.560 -0.273 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.593 -6.142 0.368 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.933 -5.320 1.142 1.00 1.29 H new ATOM 0 HG2 GLN A 50 77.115 -5.029 -1.770 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.544 -4.494 -1.205 1.00 1.28 H new ATOM 0 HE21 GLN A 50 75.897 -2.206 -1.338 1.00 1.85 H new ATOM 0 HE22 GLN A 50 77.114 -1.379 -0.360 1.00 1.85 H new ATOM 762 N ASN A 51 77.960 -7.794 1.990 1.00 1.18 N ATOM 763 CA ASN A 51 77.938 -8.865 3.028 1.00 1.29 C ATOM 764 C ASN A 51 77.635 -8.258 4.400 1.00 1.07 C ATOM 765 O ASN A 51 78.398 -8.416 5.333 1.00 1.45 O ATOM 766 CB ASN A 51 79.342 -9.470 3.003 1.00 1.96 C ATOM 767 CG ASN A 51 79.241 -10.993 2.901 1.00 2.61 C ATOM 768 OD1 ASN A 51 78.687 -11.635 3.771 1.00 3.07 O ATOM 769 ND2 ASN A 51 79.756 -11.602 1.869 1.00 3.29 N ATOM 0 H ASN A 51 78.364 -6.907 2.290 1.00 1.18 H new ATOM 0 HA ASN A 51 77.171 -9.615 2.836 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.904 -9.075 2.157 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.886 -9.191 3.906 1.00 1.96 H new ATOM 0 HD21 ASN A 51 79.694 -12.617 1.792 1.00 3.29 H new ATOM 0 HD22 ASN A 51 80.221 -11.063 1.139 1.00 3.29 H new ATOM 776 N PRO A 52 76.524 -7.580 4.472 1.00 1.47 N ATOM 777 CA PRO A 52 76.102 -6.933 5.739 1.00 2.11 C ATOM 778 C PRO A 52 75.635 -7.984 6.750 1.00 1.79 C ATOM 779 O PRO A 52 75.252 -9.079 6.391 1.00 2.07 O ATOM 780 CB PRO A 52 74.943 -6.035 5.314 1.00 2.97 C ATOM 781 CG PRO A 52 74.408 -6.661 4.065 1.00 2.97 C ATOM 782 CD PRO A 52 75.563 -7.351 3.389 1.00 2.03 C ATOM 0 HA PRO A 52 76.907 -6.382 6.226 1.00 2.11 H new ATOM 0 HB2 PRO A 52 74.178 -5.984 6.089 1.00 2.97 H new ATOM 0 HB3 PRO A 52 75.280 -5.015 5.131 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.617 -7.373 4.299 1.00 2.97 H new ATOM 0 HG3 PRO A 52 73.974 -5.905 3.410 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.253 -8.288 2.926 1.00 2.03 H new ATOM 0 HD3 PRO A 52 75.991 -6.732 2.600 1.00 2.03 H new ATOM 790 N THR A 53 75.662 -7.655 8.013 1.00 1.42 N ATOM 791 CA THR A 53 75.218 -8.633 9.049 1.00 1.16 C ATOM 792 C THR A 53 73.793 -8.305 9.504 1.00 0.98 C ATOM 793 O THR A 53 73.291 -7.229 9.247 1.00 0.92 O ATOM 794 CB THR A 53 76.203 -8.457 10.205 1.00 1.19 C ATOM 795 OG1 THR A 53 75.969 -7.208 10.841 1.00 1.40 O ATOM 796 CG2 THR A 53 77.635 -8.500 9.670 1.00 1.36 C ATOM 0 H THR A 53 75.972 -6.752 8.373 1.00 1.42 H new ATOM 0 HA THR A 53 75.206 -9.657 8.676 1.00 1.16 H new ATOM 0 HB THR A 53 76.063 -9.263 10.926 1.00 1.19 H new ATOM 0 HG1 THR A 53 76.599 -7.096 11.583 1.00 1.40 H new ATOM 0 HG21 THR A 53 78.336 -8.374 10.495 1.00 1.36 H new ATOM 0 HG22 THR A 53 77.814 -9.460 9.185 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.778 -7.696 8.947 1.00 1.36 H new ATOM 804 N PRO A 54 73.187 -9.252 10.167 1.00 0.99 N ATOM 805 CA PRO A 54 71.802 -9.067 10.666 1.00 1.04 C ATOM 806 C PRO A 54 71.788 -8.106 11.859 1.00 0.93 C ATOM 807 O PRO A 54 70.754 -7.601 12.249 1.00 0.94 O ATOM 808 CB PRO A 54 71.385 -10.472 11.092 1.00 1.19 C ATOM 809 CG PRO A 54 72.665 -11.184 11.389 1.00 1.18 C ATOM 810 CD PRO A 54 73.727 -10.572 10.511 1.00 1.10 C ATOM 0 HA PRO A 54 71.131 -8.636 9.923 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.738 -10.442 11.968 1.00 1.19 H new ATOM 0 HB3 PRO A 54 70.828 -10.975 10.301 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.928 -11.080 12.442 1.00 1.18 H new ATOM 0 HG3 PRO A 54 72.568 -12.251 11.189 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.679 -10.489 11.035 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.905 -11.175 9.620 1.00 1.10 H new ATOM 818 N GLU A 55 72.929 -7.847 12.441 1.00 0.98 N ATOM 819 CA GLU A 55 72.978 -6.919 13.607 1.00 1.08 C ATOM 820 C GLU A 55 73.040 -5.466 13.128 1.00 0.97 C ATOM 821 O GLU A 55 72.463 -4.579 13.725 1.00 1.01 O ATOM 822 CB GLU A 55 74.259 -7.290 14.356 1.00 1.28 C ATOM 823 CG GLU A 55 73.902 -8.048 15.636 1.00 2.15 C ATOM 824 CD GLU A 55 74.463 -9.468 15.562 1.00 2.57 C ATOM 825 OE1 GLU A 55 74.054 -10.200 14.676 1.00 3.14 O ATOM 826 OE2 GLU A 55 75.293 -9.800 16.392 1.00 2.81 O ATOM 0 H GLU A 55 73.828 -8.238 12.159 1.00 0.98 H new ATOM 0 HA GLU A 55 72.095 -7.007 14.240 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.898 -7.906 13.723 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.824 -6.390 14.599 1.00 1.28 H new ATOM 0 HG2 GLU A 55 74.310 -7.530 16.504 1.00 2.15 H new ATOM 0 HG3 GLU A 55 72.820 -8.079 15.763 1.00 2.15 H new ATOM 833 N GLU A 56 73.738 -5.215 12.055 1.00 0.92 N ATOM 834 CA GLU A 56 73.839 -3.819 11.539 1.00 0.94 C ATOM 835 C GLU A 56 72.643 -3.498 10.640 1.00 0.84 C ATOM 836 O GLU A 56 72.265 -2.354 10.477 1.00 0.94 O ATOM 837 CB GLU A 56 75.139 -3.790 10.735 1.00 1.06 C ATOM 838 CG GLU A 56 76.329 -3.663 11.689 1.00 1.60 C ATOM 839 CD GLU A 56 77.628 -3.607 10.882 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.738 -2.737 10.033 1.00 2.50 O ATOM 841 OE2 GLU A 56 78.491 -4.433 11.128 1.00 2.08 O ATOM 0 H GLU A 56 74.243 -5.916 11.513 1.00 0.92 H new ATOM 0 HA GLU A 56 73.838 -3.080 12.341 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.231 -4.699 10.141 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.128 -2.953 10.037 1.00 1.06 H new ATOM 0 HG2 GLU A 56 76.227 -2.764 12.297 1.00 1.60 H new ATOM 0 HG3 GLU A 56 76.351 -4.510 12.375 1.00 1.60 H new ATOM 848 N LEU A 57 72.045 -4.498 10.054 1.00 0.73 N ATOM 849 CA LEU A 57 70.874 -4.251 9.165 1.00 0.78 C ATOM 850 C LEU A 57 69.830 -3.396 9.888 1.00 0.80 C ATOM 851 O LEU A 57 69.522 -2.295 9.477 1.00 0.89 O ATOM 852 CB LEU A 57 70.310 -5.638 8.859 1.00 0.85 C ATOM 853 CG LEU A 57 70.982 -6.198 7.605 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.870 -7.722 7.607 1.00 1.30 C ATOM 855 CD2 LEU A 57 70.288 -5.639 6.362 1.00 1.10 C ATOM 0 H LEU A 57 72.316 -5.476 10.152 1.00 0.73 H new ATOM 0 HA LEU A 57 71.151 -3.713 8.258 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.480 -6.305 9.704 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.232 -5.579 8.711 1.00 0.85 H new ATOM 0 HG LEU A 57 72.033 -5.909 7.595 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.349 -8.123 6.714 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.363 -8.122 8.493 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.819 -8.010 7.616 1.00 1.30 H new ATOM 0 HD21 LEU A 57 70.767 -6.038 5.468 1.00 1.10 H new ATOM 0 HD22 LEU A 57 69.237 -5.928 6.371 1.00 1.10 H new ATOM 0 HD23 LEU A 57 70.365 -4.552 6.360 1.00 1.10 H new ATOM 867 N GLN A 58 69.281 -3.896 10.961 1.00 0.81 N ATOM 868 CA GLN A 58 68.256 -3.111 11.709 1.00 0.95 C ATOM 869 C GLN A 58 68.768 -1.695 11.985 1.00 0.99 C ATOM 870 O GLN A 58 68.039 -0.730 11.873 1.00 1.13 O ATOM 871 CB GLN A 58 68.053 -3.873 13.019 1.00 1.09 C ATOM 872 CG GLN A 58 67.272 -2.999 14.002 1.00 1.25 C ATOM 873 CD GLN A 58 65.833 -2.837 13.510 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.050 -3.764 13.571 1.00 1.97 O ATOM 875 NE2 GLN A 58 65.448 -1.690 13.020 1.00 1.74 N ATOM 0 H GLN A 58 69.497 -4.813 11.352 1.00 0.81 H new ATOM 0 HA GLN A 58 67.327 -3.007 11.149 1.00 0.95 H new ATOM 0 HB2 GLN A 58 67.513 -4.801 12.832 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.018 -4.146 13.446 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.280 -3.452 14.993 1.00 1.25 H new ATOM 0 HG3 GLN A 58 67.748 -2.023 14.094 1.00 1.25 H new ATOM 0 HE21 GLN A 58 66.105 -0.911 12.968 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.490 -1.573 12.689 1.00 1.74 H new ATOM 884 N GLU A 59 70.015 -1.565 12.345 1.00 0.97 N ATOM 885 CA GLU A 59 70.570 -0.209 12.630 1.00 1.14 C ATOM 886 C GLU A 59 70.682 0.601 11.335 1.00 1.11 C ATOM 887 O GLU A 59 70.333 1.763 11.287 1.00 1.18 O ATOM 888 CB GLU A 59 71.957 -0.464 13.223 1.00 1.23 C ATOM 889 CG GLU A 59 71.981 -0.003 14.681 1.00 1.60 C ATOM 890 CD GLU A 59 73.387 -0.190 15.254 1.00 2.19 C ATOM 891 OE1 GLU A 59 74.315 -0.302 14.469 1.00 2.77 O ATOM 892 OE2 GLU A 59 73.513 -0.217 16.467 1.00 2.75 O ATOM 0 H GLU A 59 70.673 -2.336 12.454 1.00 0.97 H new ATOM 0 HA GLU A 59 69.935 0.362 13.308 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.201 -1.525 13.162 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.714 0.071 12.649 1.00 1.23 H new ATOM 0 HG2 GLU A 59 71.687 1.044 14.747 1.00 1.60 H new ATOM 0 HG3 GLU A 59 71.260 -0.574 15.266 1.00 1.60 H new ATOM 899 N MET A 60 71.168 -0.002 10.284 1.00 1.11 N ATOM 900 CA MET A 60 71.303 0.735 8.994 1.00 1.18 C ATOM 901 C MET A 60 70.059 1.590 8.736 1.00 1.13 C ATOM 902 O MET A 60 70.152 2.755 8.405 1.00 1.25 O ATOM 903 CB MET A 60 71.435 -0.354 7.928 1.00 1.22 C ATOM 904 CG MET A 60 71.889 0.277 6.609 1.00 1.62 C ATOM 905 SD MET A 60 72.798 -0.948 5.636 1.00 1.82 S ATOM 906 CE MET A 60 73.829 0.219 4.714 1.00 2.02 C ATOM 0 H MET A 60 71.478 -0.974 10.263 1.00 1.11 H new ATOM 0 HA MET A 60 72.157 1.412 8.995 1.00 1.18 H new ATOM 0 HB2 MET A 60 72.154 -1.108 8.250 1.00 1.22 H new ATOM 0 HB3 MET A 60 70.480 -0.862 7.791 1.00 1.22 H new ATOM 0 HG2 MET A 60 71.025 0.634 6.048 1.00 1.62 H new ATOM 0 HG3 MET A 60 72.521 1.143 6.806 1.00 1.62 H new ATOM 0 HE1 MET A 60 74.728 -0.288 4.363 1.00 2.02 H new ATOM 0 HE2 MET A 60 73.271 0.601 3.859 1.00 2.02 H new ATOM 0 HE3 MET A 60 74.110 1.048 5.364 1.00 2.02 H new ATOM 916 N ILE A 61 68.895 1.019 8.885 1.00 1.04 N ATOM 917 CA ILE A 61 67.646 1.799 8.648 1.00 1.11 C ATOM 918 C ILE A 61 67.429 2.809 9.778 1.00 1.23 C ATOM 919 O ILE A 61 67.308 3.995 9.550 1.00 1.40 O ATOM 920 CB ILE A 61 66.525 0.759 8.639 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.552 -0.007 7.315 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.176 1.464 8.792 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.160 -1.394 7.537 1.00 1.14 C ATOM 0 H ILE A 61 68.754 0.047 9.160 1.00 1.04 H new ATOM 0 HA ILE A 61 67.685 2.366 7.718 1.00 1.11 H new ATOM 0 HB ILE A 61 66.668 0.063 9.465 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.542 -0.101 6.917 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.135 0.543 6.577 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.376 0.724 8.786 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.156 2.012 9.734 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.033 2.160 7.965 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.179 -1.938 6.593 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.177 -1.289 7.915 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.558 -1.943 8.261 1.00 1.14 H new ATOM 935 N ASP A 62 67.377 2.346 10.997 1.00 1.23 N ATOM 936 CA ASP A 62 67.164 3.276 12.144 1.00 1.43 C ATOM 937 C ASP A 62 67.999 4.548 11.965 1.00 1.48 C ATOM 938 O ASP A 62 67.666 5.597 12.482 1.00 1.67 O ATOM 939 CB ASP A 62 67.632 2.498 13.373 1.00 1.51 C ATOM 940 CG ASP A 62 67.415 3.346 14.627 1.00 1.54 C ATOM 941 OD1 ASP A 62 68.303 4.115 14.958 1.00 2.13 O ATOM 942 OD2 ASP A 62 66.366 3.212 15.235 1.00 1.79 O ATOM 0 H ASP A 62 67.473 1.362 11.249 1.00 1.23 H new ATOM 0 HA ASP A 62 66.124 3.592 12.229 1.00 1.43 H new ATOM 0 HB2 ASP A 62 67.081 1.561 13.455 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.686 2.240 13.273 1.00 1.51 H new ATOM 947 N GLU A 63 69.082 4.466 11.241 1.00 1.41 N ATOM 948 CA GLU A 63 69.935 5.672 11.037 1.00 1.52 C ATOM 949 C GLU A 63 69.446 6.480 9.829 1.00 1.47 C ATOM 950 O GLU A 63 69.204 7.667 9.923 1.00 1.80 O ATOM 951 CB GLU A 63 71.339 5.123 10.783 1.00 1.55 C ATOM 952 CG GLU A 63 72.291 5.639 11.865 1.00 2.11 C ATOM 953 CD GLU A 63 73.257 6.656 11.254 1.00 2.26 C ATOM 954 OE1 GLU A 63 73.683 6.438 10.132 1.00 2.32 O ATOM 955 OE2 GLU A 63 73.553 7.634 11.918 1.00 2.93 O ATOM 0 H GLU A 63 69.413 3.617 10.782 1.00 1.41 H new ATOM 0 HA GLU A 63 69.906 6.344 11.894 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.322 4.033 10.788 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.689 5.431 9.798 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.724 6.101 12.673 1.00 2.11 H new ATOM 0 HG3 GLU A 63 72.848 4.809 12.300 1.00 2.11 H new ATOM 962 N VAL A 64 69.300 5.849 8.695 1.00 1.33 N ATOM 963 CA VAL A 64 68.830 6.590 7.488 1.00 1.29 C ATOM 964 C VAL A 64 67.308 6.764 7.532 1.00 1.21 C ATOM 965 O VAL A 64 66.766 7.714 7.002 1.00 1.50 O ATOM 966 CB VAL A 64 69.242 5.719 6.299 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.678 5.228 6.497 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.307 4.512 6.196 1.00 1.31 C ATOM 0 H VAL A 64 69.485 4.856 8.552 1.00 1.33 H new ATOM 0 HA VAL A 64 69.259 7.590 7.424 1.00 1.29 H new ATOM 0 HB VAL A 64 69.179 6.308 5.384 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.971 4.608 5.650 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.349 6.084 6.569 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.739 4.642 7.414 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.603 3.894 5.348 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.368 3.925 7.112 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.283 4.856 6.054 1.00 1.31 H new ATOM 978 N ASP A 65 66.617 5.853 8.160 1.00 1.27 N ATOM 979 CA ASP A 65 65.132 5.962 8.241 1.00 1.38 C ATOM 980 C ASP A 65 64.732 7.327 8.810 1.00 2.07 C ATOM 981 O ASP A 65 65.395 7.871 9.670 1.00 2.61 O ATOM 982 CB ASP A 65 64.705 4.840 9.187 1.00 1.38 C ATOM 983 CG ASP A 65 63.217 4.546 8.996 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.541 5.373 8.406 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.778 3.499 9.443 1.00 2.59 O ATOM 0 H ASP A 65 67.017 5.036 8.622 1.00 1.27 H new ATOM 0 HA ASP A 65 64.657 5.875 7.264 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.291 3.942 8.991 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.899 5.128 10.220 1.00 1.38 H new ATOM 990 N GLU A 66 63.651 7.885 8.334 1.00 2.65 N ATOM 991 CA GLU A 66 63.208 9.213 8.849 1.00 3.74 C ATOM 992 C GLU A 66 62.215 9.033 10.001 1.00 4.00 C ATOM 993 O GLU A 66 61.879 9.970 10.696 1.00 4.93 O ATOM 994 CB GLU A 66 62.531 9.894 7.659 1.00 4.58 C ATOM 995 CG GLU A 66 61.298 9.088 7.245 1.00 5.25 C ATOM 996 CD GLU A 66 60.080 10.013 7.183 1.00 6.17 C ATOM 997 OE1 GLU A 66 60.137 10.985 6.450 1.00 6.61 O ATOM 998 OE2 GLU A 66 59.112 9.731 7.870 1.00 6.67 O ATOM 0 H GLU A 66 63.056 7.479 7.612 1.00 2.65 H new ATOM 0 HA GLU A 66 64.039 9.802 9.238 1.00 3.74 H new ATOM 0 HB2 GLU A 66 62.242 10.911 7.924 1.00 4.58 H new ATOM 0 HB3 GLU A 66 63.228 9.968 6.824 1.00 4.58 H new ATOM 0 HG2 GLU A 66 61.464 8.623 6.273 1.00 5.25 H new ATOM 0 HG3 GLU A 66 61.121 8.283 7.958 1.00 5.25 H new ATOM 1005 N ASP A 67 61.746 7.833 10.208 1.00 3.32 N ATOM 1006 CA ASP A 67 60.777 7.592 11.316 1.00 3.69 C ATOM 1007 C ASP A 67 61.295 6.485 12.239 1.00 3.25 C ATOM 1008 O ASP A 67 60.729 6.214 13.280 1.00 3.49 O ATOM 1009 CB ASP A 67 59.483 7.156 10.626 1.00 3.68 C ATOM 1010 CG ASP A 67 59.650 5.741 10.070 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.782 5.299 9.959 1.00 2.33 O ATOM 1012 OD2 ASP A 67 58.644 5.124 9.764 1.00 3.83 O ATOM 0 H ASP A 67 61.991 7.009 9.659 1.00 3.32 H new ATOM 0 HA ASP A 67 60.628 8.477 11.934 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.654 7.184 11.334 1.00 3.68 H new ATOM 0 HB3 ASP A 67 59.238 7.848 9.820 1.00 3.68 H new ATOM 1017 N GLY A 68 62.369 5.845 11.865 1.00 2.98 N ATOM 1018 CA GLY A 68 62.927 4.759 12.720 1.00 3.17 C ATOM 1019 C GLY A 68 61.897 3.638 12.866 1.00 2.42 C ATOM 1020 O GLY A 68 61.354 3.416 13.931 1.00 3.05 O ATOM 0 H GLY A 68 62.884 6.027 11.004 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.843 4.369 12.277 1.00 3.17 H new ATOM 0 HA3 GLY A 68 63.190 5.154 13.701 1.00 3.17 H new ATOM 1024 N SER A 69 61.621 2.929 11.805 1.00 1.46 N ATOM 1025 CA SER A 69 60.624 1.823 11.886 1.00 1.52 C ATOM 1026 C SER A 69 61.249 0.506 11.416 1.00 1.64 C ATOM 1027 O SER A 69 60.748 -0.565 11.700 1.00 2.49 O ATOM 1028 CB SER A 69 59.489 2.242 10.953 1.00 2.44 C ATOM 1029 OG SER A 69 60.036 2.696 9.721 1.00 2.71 O ATOM 0 H SER A 69 62.042 3.068 10.886 1.00 1.46 H new ATOM 0 HA SER A 69 60.274 1.659 12.905 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.818 1.401 10.778 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.897 3.032 11.414 1.00 2.44 H new ATOM 0 HG SER A 69 59.740 2.108 8.995 1.00 2.71 H new ATOM 1035 N GLY A 70 62.338 0.572 10.699 1.00 1.28 N ATOM 1036 CA GLY A 70 62.985 -0.678 10.214 1.00 1.43 C ATOM 1037 C GLY A 70 62.442 -1.033 8.828 1.00 1.29 C ATOM 1038 O GLY A 70 62.760 -2.066 8.274 1.00 1.59 O ATOM 0 H GLY A 70 62.806 1.437 10.429 1.00 1.28 H new ATOM 0 HA2 GLY A 70 64.066 -0.546 10.169 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.792 -1.493 10.911 1.00 1.43 H new ATOM 1042 N THR A 71 61.622 -0.188 8.262 1.00 0.89 N ATOM 1043 CA THR A 71 61.060 -0.485 6.913 1.00 0.79 C ATOM 1044 C THR A 71 61.675 0.439 5.857 1.00 0.76 C ATOM 1045 O THR A 71 61.744 1.640 6.032 1.00 0.83 O ATOM 1046 CB THR A 71 59.558 -0.221 7.042 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.350 1.118 7.466 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.955 -1.183 8.066 1.00 1.08 C ATOM 0 H THR A 71 61.318 0.694 8.675 1.00 0.89 H new ATOM 0 HA THR A 71 61.273 -1.507 6.599 1.00 0.79 H new ATOM 0 HB THR A 71 59.077 -0.375 6.076 1.00 0.84 H new ATOM 0 HG1 THR A 71 60.089 1.679 7.151 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.885 -0.994 8.157 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.115 -2.210 7.739 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.434 -1.032 9.033 1.00 1.08 H new ATOM 1056 N VAL A 72 62.117 -0.113 4.761 1.00 0.73 N ATOM 1057 CA VAL A 72 62.723 0.730 3.690 1.00 0.77 C ATOM 1058 C VAL A 72 61.898 0.610 2.404 1.00 0.80 C ATOM 1059 O VAL A 72 61.631 -0.474 1.926 1.00 1.00 O ATOM 1060 CB VAL A 72 64.131 0.162 3.489 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.680 0.598 2.129 1.00 1.13 C ATOM 1062 CG2 VAL A 72 65.049 0.684 4.596 1.00 1.13 C ATOM 0 H VAL A 72 62.085 -1.112 4.560 1.00 0.73 H new ATOM 0 HA VAL A 72 62.749 1.787 3.953 1.00 0.77 H new ATOM 0 HB VAL A 72 64.088 -0.927 3.526 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.682 0.190 1.993 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.028 0.229 1.338 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.722 1.686 2.086 1.00 1.13 H new ATOM 0 HG21 VAL A 72 66.052 0.282 4.456 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.085 1.773 4.555 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.664 0.370 5.566 1.00 1.13 H new ATOM 1072 N ASP A 73 61.491 1.716 1.843 1.00 0.77 N ATOM 1073 CA ASP A 73 60.681 1.662 0.590 1.00 0.83 C ATOM 1074 C ASP A 73 61.551 2.006 -0.622 1.00 0.87 C ATOM 1075 O ASP A 73 62.755 1.850 -0.598 1.00 0.87 O ATOM 1076 CB ASP A 73 59.586 2.713 0.778 1.00 0.85 C ATOM 1077 CG ASP A 73 58.853 2.457 2.097 1.00 1.80 C ATOM 1078 OD1 ASP A 73 59.508 2.462 3.126 1.00 2.47 O ATOM 1079 OD2 ASP A 73 57.649 2.261 2.054 1.00 2.57 O ATOM 0 H ASP A 73 61.683 2.653 2.196 1.00 0.77 H new ATOM 0 HA ASP A 73 60.268 0.669 0.411 1.00 0.83 H new ATOM 0 HB2 ASP A 73 60.022 3.712 0.780 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.883 2.674 -0.054 1.00 0.85 H new ATOM 1084 N PHE A 74 60.948 2.469 -1.681 1.00 0.94 N ATOM 1085 CA PHE A 74 61.737 2.821 -2.897 1.00 0.98 C ATOM 1086 C PHE A 74 62.671 3.997 -2.604 1.00 0.86 C ATOM 1087 O PHE A 74 63.669 4.191 -3.270 1.00 0.83 O ATOM 1088 CB PHE A 74 60.691 3.212 -3.941 1.00 1.12 C ATOM 1089 CG PHE A 74 61.377 3.792 -5.155 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.642 3.328 -5.533 1.00 1.97 C ATOM 1091 CD2 PHE A 74 60.744 4.791 -5.905 1.00 2.22 C ATOM 1092 CE1 PHE A 74 63.275 3.863 -6.660 1.00 2.84 C ATOM 1093 CE2 PHE A 74 61.378 5.328 -7.032 1.00 3.01 C ATOM 1094 CZ PHE A 74 62.644 4.863 -7.409 1.00 3.18 C ATOM 0 H PHE A 74 59.942 2.619 -1.758 1.00 0.94 H new ATOM 0 HA PHE A 74 62.366 1.998 -3.235 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.103 2.339 -4.226 1.00 1.12 H new ATOM 0 HB3 PHE A 74 59.998 3.940 -3.520 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.129 2.557 -4.955 1.00 1.97 H new ATOM 0 HD2 PHE A 74 59.767 5.147 -5.614 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.251 3.504 -6.952 1.00 2.84 H new ATOM 0 HE2 PHE A 74 60.891 6.100 -7.610 1.00 3.01 H new ATOM 0 HZ PHE A 74 63.134 5.276 -8.278 1.00 3.18 H new ATOM 1104 N ASP A 75 62.358 4.784 -1.612 1.00 0.83 N ATOM 1105 CA ASP A 75 63.232 5.948 -1.280 1.00 0.76 C ATOM 1106 C ASP A 75 64.303 5.534 -0.267 1.00 0.69 C ATOM 1107 O ASP A 75 65.485 5.583 -0.544 1.00 0.65 O ATOM 1108 CB ASP A 75 62.292 6.990 -0.674 1.00 0.81 C ATOM 1109 CG ASP A 75 61.865 7.982 -1.757 1.00 0.99 C ATOM 1110 OD1 ASP A 75 62.168 7.732 -2.912 1.00 1.49 O ATOM 1111 OD2 ASP A 75 61.244 8.974 -1.414 1.00 1.57 O ATOM 0 H ASP A 75 61.537 4.673 -1.017 1.00 0.83 H new ATOM 0 HA ASP A 75 63.756 6.333 -2.154 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.416 6.501 -0.248 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.791 7.516 0.140 1.00 0.81 H new ATOM 1116 N GLU A 76 63.900 5.130 0.906 1.00 0.77 N ATOM 1117 CA GLU A 76 64.898 4.717 1.935 1.00 0.78 C ATOM 1118 C GLU A 76 65.939 3.780 1.318 1.00 0.70 C ATOM 1119 O GLU A 76 67.070 3.720 1.758 1.00 0.70 O ATOM 1120 CB GLU A 76 64.085 3.987 3.004 1.00 0.95 C ATOM 1121 CG GLU A 76 62.932 4.879 3.464 1.00 1.51 C ATOM 1122 CD GLU A 76 62.500 4.469 4.873 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.365 4.354 5.725 1.00 1.72 O ATOM 1124 OE2 GLU A 76 61.313 4.275 5.075 1.00 1.94 O ATOM 0 H GLU A 76 62.924 5.068 1.197 1.00 0.77 H new ATOM 0 HA GLU A 76 65.442 5.567 2.347 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.697 3.050 2.604 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.723 3.733 3.851 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.242 5.924 3.457 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.092 4.791 2.775 1.00 1.51 H new ATOM 1131 N PHE A 77 65.571 3.052 0.300 1.00 0.72 N ATOM 1132 CA PHE A 77 66.547 2.126 -0.341 1.00 0.73 C ATOM 1133 C PHE A 77 67.614 2.928 -1.090 1.00 0.67 C ATOM 1134 O PHE A 77 68.785 2.866 -0.776 1.00 0.69 O ATOM 1135 CB PHE A 77 65.722 1.286 -1.316 1.00 0.84 C ATOM 1136 CG PHE A 77 66.560 0.139 -1.826 1.00 0.97 C ATOM 1137 CD1 PHE A 77 67.089 -0.797 -0.928 1.00 1.32 C ATOM 1138 CD2 PHE A 77 66.807 0.007 -3.198 1.00 1.83 C ATOM 1139 CE1 PHE A 77 67.864 -1.862 -1.400 1.00 1.48 C ATOM 1140 CE2 PHE A 77 67.583 -1.059 -3.670 1.00 2.03 C ATOM 1141 CZ PHE A 77 68.110 -1.993 -2.772 1.00 1.46 C ATOM 0 H PHE A 77 64.639 3.058 -0.115 1.00 0.72 H new ATOM 0 HA PHE A 77 67.067 1.503 0.387 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.829 0.906 -0.820 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.385 1.903 -2.149 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.898 -0.696 0.130 1.00 1.32 H new ATOM 0 HD2 PHE A 77 66.399 0.727 -3.892 1.00 1.83 H new ATOM 0 HE1 PHE A 77 68.272 -2.582 -0.707 1.00 1.48 H new ATOM 0 HE2 PHE A 77 67.775 -1.160 -4.728 1.00 2.03 H new ATOM 0 HZ PHE A 77 68.707 -2.816 -3.137 1.00 1.46 H new ATOM 1151 N LEU A 78 67.217 3.684 -2.077 1.00 0.66 N ATOM 1152 CA LEU A 78 68.210 4.494 -2.838 1.00 0.68 C ATOM 1153 C LEU A 78 69.010 5.371 -1.874 1.00 0.62 C ATOM 1154 O LEU A 78 70.113 5.788 -2.165 1.00 0.64 O ATOM 1155 CB LEU A 78 67.377 5.350 -3.795 1.00 0.77 C ATOM 1156 CG LEU A 78 66.466 4.450 -4.637 1.00 0.96 C ATOM 1157 CD1 LEU A 78 65.926 5.242 -5.830 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.261 3.247 -5.150 1.00 1.41 C ATOM 0 H LEU A 78 66.250 3.776 -2.389 1.00 0.66 H new ATOM 0 HA LEU A 78 68.929 3.878 -3.377 1.00 0.68 H new ATOM 0 HB2 LEU A 78 66.777 6.064 -3.231 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.033 5.929 -4.445 1.00 0.77 H new ATOM 0 HG LEU A 78 65.637 4.103 -4.021 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.278 4.602 -6.429 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.357 6.099 -5.470 1.00 1.55 H new ATOM 0 HD13 LEU A 78 66.758 5.590 -6.442 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.610 2.609 -5.748 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.092 3.595 -5.764 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.648 2.679 -4.304 1.00 1.41 H new ATOM 1170 N VAL A 79 68.463 5.645 -0.721 1.00 0.59 N ATOM 1171 CA VAL A 79 69.192 6.484 0.271 1.00 0.61 C ATOM 1172 C VAL A 79 70.155 5.610 1.075 1.00 0.63 C ATOM 1173 O VAL A 79 71.148 6.078 1.598 1.00 0.68 O ATOM 1174 CB VAL A 79 68.104 7.060 1.176 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.746 7.902 2.279 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.167 7.937 0.343 1.00 0.70 C ATOM 0 H VAL A 79 67.542 5.324 -0.423 1.00 0.59 H new ATOM 0 HA VAL A 79 69.785 7.270 -0.198 1.00 0.61 H new ATOM 0 HB VAL A 79 67.538 6.246 1.629 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.968 8.312 2.923 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.415 7.277 2.871 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.313 8.718 1.831 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.389 8.350 0.985 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.735 8.751 -0.108 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.708 7.336 -0.442 1.00 0.70 H new ATOM 1186 N MET A 80 69.869 4.340 1.175 1.00 0.65 N ATOM 1187 CA MET A 80 70.767 3.429 1.941 1.00 0.72 C ATOM 1188 C MET A 80 72.103 3.268 1.211 1.00 0.71 C ATOM 1189 O MET A 80 73.081 2.823 1.777 1.00 0.76 O ATOM 1190 CB MET A 80 70.023 2.094 2.002 1.00 0.80 C ATOM 1191 CG MET A 80 69.545 1.838 3.433 1.00 1.12 C ATOM 1192 SD MET A 80 68.153 0.681 3.405 1.00 2.17 S ATOM 1193 CE MET A 80 69.091 -0.812 3.814 1.00 2.77 C ATOM 0 H MET A 80 69.052 3.894 0.759 1.00 0.65 H new ATOM 0 HA MET A 80 70.993 3.813 2.936 1.00 0.72 H new ATOM 0 HB2 MET A 80 69.172 2.109 1.321 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.678 1.286 1.676 1.00 0.80 H new ATOM 0 HG2 MET A 80 70.359 1.430 4.032 1.00 1.12 H new ATOM 0 HG3 MET A 80 69.244 2.775 3.900 1.00 1.12 H new ATOM 0 HE1 MET A 80 68.445 -1.514 4.341 1.00 2.77 H new ATOM 0 HE2 MET A 80 69.457 -1.274 2.897 1.00 2.77 H new ATOM 0 HE3 MET A 80 69.936 -0.548 4.450 1.00 2.77 H new ATOM 1203 N MET A 81 72.156 3.641 -0.040 1.00 0.69 N ATOM 1204 CA MET A 81 73.440 3.522 -0.796 1.00 0.74 C ATOM 1205 C MET A 81 74.097 4.900 -0.919 1.00 0.75 C ATOM 1206 O MET A 81 75.139 5.051 -1.524 1.00 0.82 O ATOM 1207 CB MET A 81 73.119 2.950 -2.196 1.00 0.73 C ATOM 1208 CG MET A 81 71.619 2.671 -2.379 1.00 0.89 C ATOM 1209 SD MET A 81 71.118 1.320 -1.280 1.00 1.41 S ATOM 1210 CE MET A 81 72.187 0.042 -1.989 1.00 1.21 C ATOM 0 H MET A 81 71.372 4.021 -0.570 1.00 0.69 H new ATOM 0 HA MET A 81 74.132 2.861 -0.275 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.452 3.654 -2.959 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.680 2.027 -2.347 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.041 3.568 -2.157 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.411 2.407 -3.416 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.670 -0.917 -1.969 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.430 0.302 -3.019 1.00 1.21 H new ATOM 0 HE3 MET A 81 73.105 -0.029 -1.406 1.00 1.21 H new ATOM 1220 N VAL A 82 73.500 5.906 -0.335 1.00 0.72 N ATOM 1221 CA VAL A 82 74.094 7.271 -0.404 1.00 0.78 C ATOM 1222 C VAL A 82 74.873 7.557 0.883 1.00 0.81 C ATOM 1223 O VAL A 82 75.786 8.358 0.905 1.00 0.93 O ATOM 1224 CB VAL A 82 72.901 8.219 -0.531 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.350 9.651 -0.235 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.345 8.146 -1.954 1.00 1.36 C ATOM 0 H VAL A 82 72.626 5.840 0.187 1.00 0.72 H new ATOM 0 HA VAL A 82 74.788 7.384 -1.237 1.00 0.78 H new ATOM 0 HB VAL A 82 72.128 7.927 0.180 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.499 10.325 -0.326 1.00 1.08 H new ATOM 0 HG12 VAL A 82 73.749 9.705 0.778 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.123 9.944 -0.946 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.494 8.821 -2.047 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.120 8.438 -2.663 1.00 1.36 H new ATOM 0 HG23 VAL A 82 72.024 7.126 -2.167 1.00 1.36 H new ATOM 1236 N ARG A 83 74.516 6.902 1.954 1.00 0.79 N ATOM 1237 CA ARG A 83 75.230 7.126 3.242 1.00 0.85 C ATOM 1238 C ARG A 83 76.254 6.012 3.477 1.00 0.90 C ATOM 1239 O ARG A 83 77.090 6.097 4.354 1.00 1.00 O ATOM 1240 CB ARG A 83 74.137 7.080 4.312 1.00 0.87 C ATOM 1241 CG ARG A 83 74.122 8.401 5.085 1.00 1.07 C ATOM 1242 CD ARG A 83 72.967 8.394 6.086 1.00 0.92 C ATOM 1243 NE ARG A 83 72.972 9.753 6.692 1.00 1.62 N ATOM 1244 CZ ARG A 83 72.475 9.937 7.885 1.00 1.83 C ATOM 1245 NH1 ARG A 83 71.217 9.681 8.115 1.00 2.49 N ATOM 1246 NH2 ARG A 83 73.238 10.376 8.848 1.00 2.14 N ATOM 0 H ARG A 83 73.759 6.220 1.992 1.00 0.79 H new ATOM 0 HA ARG A 83 75.775 8.070 3.254 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.166 6.907 3.848 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.316 6.249 4.994 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.069 8.540 5.607 1.00 1.07 H new ATOM 0 HG3 ARG A 83 74.013 9.237 4.394 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.018 8.186 5.592 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.107 7.624 6.844 1.00 0.92 H new ATOM 0 HE ARG A 83 73.364 10.541 6.175 1.00 1.62 H new ATOM 0 HH11 ARG A 83 70.621 9.337 7.362 1.00 2.49 H new ATOM 0 HH12 ARG A 83 70.829 9.825 9.047 1.00 2.49 H new ATOM 0 HH21 ARG A 83 74.222 10.575 8.668 1.00 2.14 H new ATOM 0 HH22 ARG A 83 72.850 10.520 9.780 1.00 2.14 H new ATOM 1260 N SER A 84 76.190 4.965 2.700 1.00 0.92 N ATOM 1261 CA SER A 84 77.158 3.844 2.881 1.00 1.01 C ATOM 1262 C SER A 84 78.237 3.896 1.795 1.00 1.06 C ATOM 1263 O SER A 84 79.278 3.281 1.913 1.00 1.38 O ATOM 1264 CB SER A 84 76.321 2.574 2.744 1.00 1.04 C ATOM 1265 OG SER A 84 76.377 1.843 3.962 1.00 1.52 O ATOM 0 H SER A 84 75.511 4.837 1.949 1.00 0.92 H new ATOM 0 HA SER A 84 77.672 3.892 3.841 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.288 2.829 2.506 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.696 1.964 1.922 1.00 1.04 H new ATOM 0 HG SER A 84 76.445 0.885 3.766 1.00 1.52 H new ATOM 1271 N MET A 85 77.995 4.624 0.739 1.00 0.00 N ATOM 1272 CA MET A 85 79.008 4.712 -0.351 1.00 0.00 C ATOM 1273 C MET A 85 79.742 6.055 -0.286 1.00 0.00 C ATOM 1274 O MET A 85 80.110 6.621 -1.295 1.00 0.00 O ATOM 1275 CB MET A 85 78.206 4.604 -1.648 1.00 0.00 C ATOM 1276 CG MET A 85 77.949 3.130 -1.968 1.00 0.00 C ATOM 1277 SD MET A 85 78.076 2.871 -3.754 1.00 0.00 S ATOM 1278 CE MET A 85 76.475 3.587 -4.200 1.00 0.00 C ATOM 0 H MET A 85 77.142 5.161 0.584 1.00 0.00 H new ATOM 0 HA MET A 85 79.765 3.932 -0.273 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.260 5.136 -1.548 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.752 5.075 -2.466 1.00 0.00 H new ATOM 0 HG2 MET A 85 78.671 2.502 -1.446 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.960 2.837 -1.617 1.00 0.00 H new ATOM 0 HE1 MET A 85 76.563 4.112 -5.151 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.734 2.793 -4.291 1.00 0.00 H new ATOM 0 HE3 MET A 85 76.162 4.288 -3.426 1.00 0.00 H new ATOM 1288 N LYS A 86 79.957 6.568 0.895 1.00 0.00 N ATOM 1289 CA LYS A 86 80.667 7.873 1.022 1.00 0.00 C ATOM 1290 C LYS A 86 82.182 7.650 1.070 1.00 0.00 C ATOM 1291 O LYS A 86 82.708 7.103 2.020 1.00 0.00 O ATOM 1292 CB LYS A 86 80.171 8.470 2.338 1.00 0.00 C ATOM 1293 CG LYS A 86 78.797 9.109 2.124 1.00 0.00 C ATOM 1294 CD LYS A 86 78.971 10.504 1.521 1.00 0.00 C ATOM 1295 CE LYS A 86 79.303 11.505 2.630 1.00 0.00 C ATOM 1296 NZ LYS A 86 78.798 12.813 2.130 1.00 0.00 N ATOM 0 H LYS A 86 79.672 6.141 1.776 1.00 0.00 H new ATOM 0 HA LYS A 86 80.470 8.532 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 86 80.108 7.694 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 86 80.878 9.216 2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 86 78.194 8.488 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 86 78.263 9.175 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 86 79.767 10.493 0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 86 78.058 10.805 1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 86 78.822 11.229 3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 86 80.376 11.542 2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 78.989 13.552 2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 79.278 13.053 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 77.773 12.749 1.964 1.00 0.00 H new ATOM 1310 N ASP A 87 82.885 8.069 0.054 1.00 0.00 N ATOM 1311 CA ASP A 87 84.364 7.881 0.043 1.00 0.00 C ATOM 1312 C ASP A 87 84.716 6.407 0.263 1.00 0.00 C ATOM 1313 O ASP A 87 84.820 5.638 -0.672 1.00 0.00 O ATOM 1314 CB ASP A 87 84.880 8.736 1.202 1.00 0.00 C ATOM 1315 CG ASP A 87 86.373 8.473 1.404 1.00 0.00 C ATOM 1316 OD1 ASP A 87 87.021 8.083 0.447 1.00 0.00 O ATOM 1317 OD2 ASP A 87 86.844 8.666 2.514 1.00 0.00 O ATOM 0 H ASP A 87 82.500 8.533 -0.769 1.00 0.00 H new ATOM 0 HA ASP A 87 84.809 8.172 -0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 87 84.711 9.792 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 87 84.332 8.500 2.114 1.00 0.00 H new ATOM 1322 N ASP A 88 84.900 6.006 1.493 1.00 0.00 N ATOM 1323 CA ASP A 88 85.245 4.581 1.768 1.00 0.00 C ATOM 1324 C ASP A 88 84.713 4.162 3.140 1.00 0.00 C ATOM 1325 O ASP A 88 85.351 3.425 3.866 1.00 0.00 O ATOM 1326 CB ASP A 88 86.773 4.536 1.750 1.00 0.00 C ATOM 1327 CG ASP A 88 87.324 5.434 2.858 1.00 0.00 C ATOM 1328 OD1 ASP A 88 86.540 6.156 3.453 1.00 0.00 O ATOM 1329 OD2 ASP A 88 88.520 5.386 3.093 1.00 0.00 O ATOM 0 H ASP A 88 84.826 6.602 2.317 1.00 0.00 H new ATOM 0 HA ASP A 88 84.807 3.901 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 88 87.119 3.512 1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 88 87.146 4.867 0.781 1.00 0.00 H new ATOM 1334 N SER A 89 83.548 4.626 3.502 1.00 0.00 N ATOM 1335 CA SER A 89 82.975 4.255 4.827 1.00 0.00 C ATOM 1336 C SER A 89 82.241 2.914 4.730 1.00 0.00 C ATOM 1337 O SER A 89 82.658 2.090 3.934 1.00 0.00 O ATOM 1338 CB SER A 89 81.996 5.379 5.161 1.00 0.00 C ATOM 1339 OG SER A 89 82.580 6.628 4.808 1.00 0.00 O ATOM 1340 OXT SER A 89 81.276 2.736 5.454 1.00 0.00 O ATOM 0 H SER A 89 82.968 5.246 2.937 1.00 0.00 H new ATOM 0 HA SER A 89 83.743 4.141 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 89 81.061 5.235 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 89 81.755 5.364 6.224 1.00 0.00 H new ATOM 0 HG SER A 89 82.448 6.792 3.851 1.00 0.00 H new TER 1346 SER A 89 HETATM 1347 CA CA A 90 61.369 3.874 7.623 1.00 1.15 CA