USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 555 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 91 GLN : amide:sc= -3.75 K(o=-3.9,f=-5.2!) USER MOD Set 1.2: A 139 TYR OH : rot 150:sc= -0.174 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0668 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -57:sc= 0.365 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.019 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 149:sc= -0.313 (180deg=-1.97!) USER MOD Single : A 111 THR OG1 : rot 102:sc= 1.25 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 134 ASN : amide:sc= -1.02 K(o=-1,f=-5!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 80 177.569 16.595 -8.032 1.00 0.00 N ATOM 2 CA LYS A 80 176.265 16.676 -8.752 1.00 0.00 C ATOM 3 C LYS A 80 175.120 16.266 -7.822 1.00 0.00 C ATOM 4 O LYS A 80 174.066 16.872 -7.799 1.00 0.00 O ATOM 5 CB LYS A 80 176.392 15.688 -9.913 1.00 0.00 C ATOM 6 CG LYS A 80 177.387 16.230 -10.941 1.00 0.00 C ATOM 7 CD LYS A 80 177.513 15.240 -12.101 1.00 0.00 C ATOM 8 CE LYS A 80 178.180 13.955 -11.607 1.00 0.00 C ATOM 9 NZ LYS A 80 178.867 13.394 -12.804 1.00 0.00 N ATOM 0 HA LYS A 80 176.047 17.686 -9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 80 176.727 14.719 -9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 80 175.419 15.533 -10.380 1.00 0.00 H new ATOM 0 HG2 LYS A 80 177.052 17.199 -11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 80 178.360 16.386 -10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 80 176.528 15.016 -12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 80 178.101 15.681 -12.906 1.00 0.00 H new ATOM 0 HE2 LYS A 80 178.889 14.161 -10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 80 177.444 13.256 -11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 179.349 12.509 -12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 178.166 13.202 -13.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 179.566 14.079 -13.156 1.00 0.00 H new ATOM 23 N ALA A 81 175.337 15.228 -7.059 1.00 0.00 N ATOM 24 CA ALA A 81 174.295 14.729 -6.114 1.00 0.00 C ATOM 25 C ALA A 81 174.761 14.905 -4.666 1.00 0.00 C ATOM 26 O ALA A 81 175.941 15.046 -4.403 1.00 0.00 O ATOM 27 CB ALA A 81 174.168 13.241 -6.441 1.00 0.00 C ATOM 0 H ALA A 81 176.207 14.696 -7.051 1.00 0.00 H new ATOM 0 HA ALA A 81 173.352 15.266 -6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 81 173.419 12.788 -5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 81 173.865 13.122 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 81 175.129 12.751 -6.284 1.00 0.00 H new ATOM 33 N LYS A 82 173.847 14.912 -3.727 1.00 0.00 N ATOM 34 CA LYS A 82 174.236 15.093 -2.300 1.00 0.00 C ATOM 35 C LYS A 82 174.090 13.786 -1.523 1.00 0.00 C ATOM 36 O LYS A 82 173.390 12.876 -1.923 1.00 0.00 O ATOM 37 CB LYS A 82 173.270 16.146 -1.760 1.00 0.00 C ATOM 38 CG LYS A 82 173.691 17.532 -2.253 1.00 0.00 C ATOM 39 CD LYS A 82 174.789 18.085 -1.344 1.00 0.00 C ATOM 40 CE LYS A 82 175.003 19.571 -1.643 1.00 0.00 C ATOM 41 NZ LYS A 82 176.182 19.614 -2.552 1.00 0.00 N ATOM 0 H LYS A 82 172.847 14.800 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 82 175.278 15.396 -2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 82 172.255 15.925 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 82 173.264 16.123 -0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 82 174.051 17.470 -3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 82 172.833 18.205 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 82 174.512 17.950 -0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 82 175.717 17.535 -1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 82 174.124 20.009 -2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 82 175.188 20.135 -0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 176.392 20.601 -2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 177.005 19.196 -2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 175.974 19.074 -3.416 1.00 0.00 H new ATOM 55 N THR A 83 174.762 13.705 -0.400 1.00 0.00 N ATOM 56 CA THR A 83 174.695 12.472 0.451 1.00 0.00 C ATOM 57 C THR A 83 173.226 12.096 0.695 1.00 0.00 C ATOM 58 O THR A 83 172.880 10.943 0.843 1.00 0.00 O ATOM 59 CB THR A 83 175.385 12.855 1.763 1.00 0.00 C ATOM 60 OG1 THR A 83 176.557 13.605 1.475 1.00 0.00 O ATOM 61 CG2 THR A 83 175.766 11.592 2.540 1.00 0.00 C ATOM 0 H THR A 83 175.359 14.446 -0.032 1.00 0.00 H new ATOM 0 HA THR A 83 175.175 11.611 -0.015 1.00 0.00 H new ATOM 0 HB THR A 83 174.703 13.454 2.367 1.00 0.00 H new ATOM 0 HG1 THR A 83 177.000 13.853 2.313 1.00 0.00 H new ATOM 0 HG21 THR A 83 176.256 11.872 3.472 1.00 0.00 H new ATOM 0 HG22 THR A 83 174.867 11.016 2.762 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.446 10.987 1.940 1.00 0.00 H new ATOM 69 N GLU A 84 172.369 13.083 0.728 1.00 0.00 N ATOM 70 CA GLU A 84 170.908 12.837 0.952 1.00 0.00 C ATOM 71 C GLU A 84 170.365 11.789 -0.028 1.00 0.00 C ATOM 72 O GLU A 84 169.534 10.973 0.322 1.00 0.00 O ATOM 73 CB GLU A 84 170.248 14.189 0.679 1.00 0.00 C ATOM 74 CG GLU A 84 170.613 15.170 1.795 1.00 0.00 C ATOM 75 CD GLU A 84 169.984 16.535 1.502 1.00 0.00 C ATOM 76 OE1 GLU A 84 170.085 16.981 0.372 1.00 0.00 O ATOM 77 OE2 GLU A 84 169.412 17.109 2.414 1.00 0.00 O ATOM 0 H GLU A 84 172.621 14.064 0.608 1.00 0.00 H new ATOM 0 HA GLU A 84 170.711 12.458 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 84 170.578 14.579 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 84 169.166 14.072 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 84 170.259 14.793 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 84 171.696 15.265 1.870 1.00 0.00 H new ATOM 84 N ASP A 85 170.833 11.809 -1.250 1.00 0.00 N ATOM 85 CA ASP A 85 170.350 10.814 -2.257 1.00 0.00 C ATOM 86 C ASP A 85 170.688 9.396 -1.790 1.00 0.00 C ATOM 87 O ASP A 85 169.848 8.516 -1.783 1.00 0.00 O ATOM 88 CB ASP A 85 171.101 11.149 -3.549 1.00 0.00 C ATOM 89 CG ASP A 85 170.537 10.320 -4.706 1.00 0.00 C ATOM 90 OD1 ASP A 85 170.115 9.202 -4.460 1.00 0.00 O ATOM 91 OD2 ASP A 85 170.540 10.818 -5.819 1.00 0.00 O ATOM 0 H ASP A 85 171.528 12.471 -1.595 1.00 0.00 H new ATOM 0 HA ASP A 85 169.270 10.858 -2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 85 171.006 12.212 -3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 85 172.164 10.943 -3.426 1.00 0.00 H new ATOM 96 N PHE A 86 171.915 9.178 -1.401 1.00 0.00 N ATOM 97 CA PHE A 86 172.334 7.824 -0.928 1.00 0.00 C ATOM 98 C PHE A 86 171.818 7.552 0.490 1.00 0.00 C ATOM 99 O PHE A 86 171.411 6.449 0.801 1.00 0.00 O ATOM 100 CB PHE A 86 173.866 7.857 -0.938 1.00 0.00 C ATOM 101 CG PHE A 86 174.380 7.209 -2.203 1.00 0.00 C ATOM 102 CD1 PHE A 86 174.008 5.896 -2.516 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.225 7.921 -3.063 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.482 5.295 -3.688 1.00 0.00 C ATOM 105 CE2 PHE A 86 175.698 7.319 -4.236 1.00 0.00 C ATOM 106 CZ PHE A 86 175.326 6.006 -4.548 1.00 0.00 C ATOM 0 H PHE A 86 172.651 9.884 -1.390 1.00 0.00 H new ATOM 0 HA PHE A 86 171.931 7.034 -1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.218 8.887 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.257 7.334 -0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.355 5.347 -1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 86 175.512 8.934 -2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 86 174.196 4.282 -3.929 1.00 0.00 H new ATOM 0 HE2 PHE A 86 176.350 7.868 -4.900 1.00 0.00 H new ATOM 0 HZ PHE A 86 175.690 5.542 -5.453 1.00 0.00 H new ATOM 116 N VAL A 87 171.852 8.535 1.358 1.00 0.00 N ATOM 117 CA VAL A 87 171.384 8.309 2.764 1.00 0.00 C ATOM 118 C VAL A 87 169.908 7.888 2.772 1.00 0.00 C ATOM 119 O VAL A 87 169.541 6.902 3.381 1.00 0.00 O ATOM 120 CB VAL A 87 171.565 9.660 3.470 1.00 0.00 C ATOM 121 CG1 VAL A 87 171.097 9.555 4.924 1.00 0.00 C ATOM 122 CG2 VAL A 87 173.045 10.056 3.444 1.00 0.00 C ATOM 0 H VAL A 87 172.181 9.479 1.156 1.00 0.00 H new ATOM 0 HA VAL A 87 171.942 7.515 3.260 1.00 0.00 H new ATOM 0 HB VAL A 87 170.972 10.415 2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 87 171.228 10.517 5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 87 170.044 9.275 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.685 8.797 5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 87 173.174 11.015 3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.634 9.296 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.381 10.139 2.411 1.00 0.00 H new ATOM 132 N LYS A 88 169.066 8.637 2.107 1.00 0.00 N ATOM 133 CA LYS A 88 167.607 8.296 2.079 1.00 0.00 C ATOM 134 C LYS A 88 167.394 6.892 1.505 1.00 0.00 C ATOM 135 O LYS A 88 166.470 6.192 1.874 1.00 0.00 O ATOM 136 CB LYS A 88 166.965 9.348 1.169 1.00 0.00 C ATOM 137 CG LYS A 88 165.451 9.126 1.114 1.00 0.00 C ATOM 138 CD LYS A 88 164.815 10.166 0.190 1.00 0.00 C ATOM 139 CE LYS A 88 163.310 9.905 0.088 1.00 0.00 C ATOM 140 NZ LYS A 88 162.699 11.251 -0.093 1.00 0.00 N ATOM 0 H LYS A 88 169.324 9.472 1.581 1.00 0.00 H new ATOM 0 HA LYS A 88 167.170 8.299 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.182 10.348 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 88 167.389 9.284 0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 88 165.233 8.121 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 88 165.025 9.204 2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 88 164.996 11.169 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 88 165.271 10.117 -0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 88 163.079 9.250 -0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 88 162.932 9.417 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 161.666 11.156 -0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 162.931 11.850 0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 163.073 11.688 -0.959 1.00 0.00 H new ATOM 154 N ALA A 89 168.234 6.495 0.587 1.00 0.00 N ATOM 155 CA ALA A 89 168.086 5.149 -0.047 1.00 0.00 C ATOM 156 C ALA A 89 168.263 4.020 0.972 1.00 0.00 C ATOM 157 O ALA A 89 167.407 3.166 1.102 1.00 0.00 O ATOM 158 CB ALA A 89 169.186 5.083 -1.106 1.00 0.00 C ATOM 0 H ALA A 89 169.021 7.047 0.246 1.00 0.00 H new ATOM 0 HA ALA A 89 167.090 5.021 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 89 169.142 4.121 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 89 169.043 5.885 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 89 170.159 5.196 -0.628 1.00 0.00 H new ATOM 164 N PHE A 90 169.366 3.986 1.679 1.00 0.00 N ATOM 165 CA PHE A 90 169.589 2.889 2.674 1.00 0.00 C ATOM 166 C PHE A 90 168.815 3.137 3.977 1.00 0.00 C ATOM 167 O PHE A 90 168.068 2.295 4.436 1.00 0.00 O ATOM 168 CB PHE A 90 171.094 2.898 2.941 1.00 0.00 C ATOM 169 CG PHE A 90 171.810 2.213 1.802 1.00 0.00 C ATOM 170 CD1 PHE A 90 171.886 0.818 1.767 1.00 0.00 C ATOM 171 CD2 PHE A 90 172.397 2.972 0.780 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.546 0.180 0.713 1.00 0.00 C ATOM 173 CE2 PHE A 90 173.057 2.332 -0.274 1.00 0.00 C ATOM 174 CZ PHE A 90 173.132 0.935 -0.307 1.00 0.00 C ATOM 0 H PHE A 90 170.121 4.669 1.611 1.00 0.00 H new ATOM 0 HA PHE A 90 169.236 1.931 2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 90 171.450 3.923 3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 90 171.311 2.389 3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 90 171.435 0.233 2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 90 172.340 4.050 0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 90 172.603 -0.898 0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 90 173.509 2.916 -1.062 1.00 0.00 H new ATOM 0 HZ PHE A 90 173.642 0.440 -1.120 1.00 0.00 H new ATOM 184 N GLN A 91 169.048 4.262 4.605 1.00 0.00 N ATOM 185 CA GLN A 91 168.398 4.560 5.924 1.00 0.00 C ATOM 186 C GLN A 91 166.887 4.305 5.913 1.00 0.00 C ATOM 187 O GLN A 91 166.336 3.839 6.894 1.00 0.00 O ATOM 188 CB GLN A 91 168.673 6.043 6.176 1.00 0.00 C ATOM 189 CG GLN A 91 170.156 6.238 6.496 1.00 0.00 C ATOM 190 CD GLN A 91 170.337 7.525 7.304 1.00 0.00 C ATOM 191 OE1 GLN A 91 169.692 8.520 7.039 1.00 0.00 O ATOM 192 NE2 GLN A 91 171.193 7.547 8.290 1.00 0.00 N ATOM 0 H GLN A 91 169.666 4.996 4.259 1.00 0.00 H new ATOM 0 HA GLN A 91 168.799 3.909 6.701 1.00 0.00 H new ATOM 0 HB2 GLN A 91 168.399 6.629 5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 91 168.061 6.402 7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 91 170.533 5.385 7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 91 170.735 6.290 5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 91 171.735 6.712 8.513 1.00 0.00 H new ATOM 0 HE22 GLN A 91 171.319 8.399 8.837 1.00 0.00 H new ATOM 201 N VAL A 92 166.206 4.607 4.834 1.00 0.00 N ATOM 202 CA VAL A 92 164.724 4.376 4.806 1.00 0.00 C ATOM 203 C VAL A 92 164.419 2.893 5.083 1.00 0.00 C ATOM 204 O VAL A 92 163.462 2.566 5.759 1.00 0.00 O ATOM 205 CB VAL A 92 164.269 4.795 3.404 1.00 0.00 C ATOM 206 CG1 VAL A 92 164.974 3.941 2.349 1.00 0.00 C ATOM 207 CG2 VAL A 92 162.757 4.605 3.281 1.00 0.00 C ATOM 0 H VAL A 92 166.604 4.999 3.981 1.00 0.00 H new ATOM 0 HA VAL A 92 164.198 4.948 5.570 1.00 0.00 H new ATOM 0 HB VAL A 92 164.522 5.843 3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 92 164.645 4.245 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 92 166.052 4.077 2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 92 164.728 2.891 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 92 162.433 4.903 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 92 162.507 3.557 3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 92 162.251 5.220 4.026 1.00 0.00 H new ATOM 217 N PHE A 93 165.245 2.006 4.587 1.00 0.00 N ATOM 218 CA PHE A 93 165.028 0.549 4.846 1.00 0.00 C ATOM 219 C PHE A 93 165.263 0.276 6.334 1.00 0.00 C ATOM 220 O PHE A 93 164.517 -0.456 6.953 1.00 0.00 O ATOM 221 CB PHE A 93 166.067 -0.177 3.990 1.00 0.00 C ATOM 222 CG PHE A 93 165.805 -1.664 4.032 1.00 0.00 C ATOM 223 CD1 PHE A 93 166.408 -2.454 5.018 1.00 0.00 C ATOM 224 CD2 PHE A 93 164.957 -2.252 3.085 1.00 0.00 C ATOM 225 CE1 PHE A 93 166.164 -3.832 5.056 1.00 0.00 C ATOM 226 CE2 PHE A 93 164.714 -3.630 3.124 1.00 0.00 C ATOM 227 CZ PHE A 93 165.317 -4.420 4.110 1.00 0.00 C ATOM 0 H PHE A 93 166.060 2.227 4.014 1.00 0.00 H new ATOM 0 HA PHE A 93 164.019 0.218 4.599 1.00 0.00 H new ATOM 0 HB2 PHE A 93 166.022 0.182 2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 93 167.070 0.037 4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 93 167.061 -2.001 5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 93 164.491 -1.643 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 93 166.630 -4.442 5.816 1.00 0.00 H new ATOM 0 HE2 PHE A 93 164.061 -4.084 2.393 1.00 0.00 H new ATOM 0 HZ PHE A 93 165.129 -5.483 4.141 1.00 0.00 H new ATOM 237 N ASP A 94 166.299 0.840 6.906 1.00 0.00 N ATOM 238 CA ASP A 94 166.588 0.594 8.358 1.00 0.00 C ATOM 239 C ASP A 94 165.455 1.136 9.237 1.00 0.00 C ATOM 240 O ASP A 94 165.548 2.217 9.786 1.00 0.00 O ATOM 241 CB ASP A 94 167.891 1.346 8.644 1.00 0.00 C ATOM 242 CG ASP A 94 169.083 0.414 8.417 1.00 0.00 C ATOM 243 OD1 ASP A 94 168.942 -0.771 8.674 1.00 0.00 O ATOM 244 OD2 ASP A 94 170.116 0.901 7.990 1.00 0.00 O ATOM 0 H ASP A 94 166.957 1.459 6.433 1.00 0.00 H new ATOM 0 HA ASP A 94 166.673 -0.470 8.577 1.00 0.00 H new ATOM 0 HB2 ASP A 94 167.969 2.218 7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 94 167.893 1.712 9.671 1.00 0.00 H new ATOM 249 N LYS A 95 164.387 0.391 9.369 1.00 0.00 N ATOM 250 CA LYS A 95 163.240 0.854 10.208 1.00 0.00 C ATOM 251 C LYS A 95 163.680 1.049 11.664 1.00 0.00 C ATOM 252 O LYS A 95 163.275 1.994 12.315 1.00 0.00 O ATOM 253 CB LYS A 95 162.180 -0.252 10.098 1.00 0.00 C ATOM 254 CG LYS A 95 162.730 -1.571 10.652 1.00 0.00 C ATOM 255 CD LYS A 95 161.898 -2.737 10.114 1.00 0.00 C ATOM 256 CE LYS A 95 162.411 -4.049 10.713 1.00 0.00 C ATOM 257 NZ LYS A 95 163.397 -4.562 9.722 1.00 0.00 N ATOM 0 H LYS A 95 164.260 -0.521 8.930 1.00 0.00 H new ATOM 0 HA LYS A 95 162.852 1.815 9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 95 161.285 0.037 10.649 1.00 0.00 H new ATOM 0 HB3 LYS A 95 161.886 -0.381 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 95 163.774 -1.692 10.363 1.00 0.00 H new ATOM 0 HG3 LYS A 95 162.700 -1.561 11.742 1.00 0.00 H new ATOM 0 HD2 LYS A 95 160.847 -2.595 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 95 161.962 -2.772 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 95 162.876 -3.884 11.685 1.00 0.00 H new ATOM 0 HE3 LYS A 95 161.598 -4.759 10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 163.794 -5.461 10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 162.924 -4.715 8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 164.163 -3.868 9.603 1.00 0.00 H new ATOM 271 N GLU A 96 164.507 0.170 12.181 1.00 0.00 N ATOM 272 CA GLU A 96 164.970 0.316 13.595 1.00 0.00 C ATOM 273 C GLU A 96 166.286 1.105 13.660 1.00 0.00 C ATOM 274 O GLU A 96 166.992 1.056 14.648 1.00 0.00 O ATOM 275 CB GLU A 96 165.181 -1.115 14.093 1.00 0.00 C ATOM 276 CG GLU A 96 163.841 -1.853 14.120 1.00 0.00 C ATOM 277 CD GLU A 96 163.815 -2.824 15.302 1.00 0.00 C ATOM 278 OE1 GLU A 96 164.829 -3.460 15.544 1.00 0.00 O ATOM 279 OE2 GLU A 96 162.782 -2.916 15.945 1.00 0.00 O ATOM 0 H GLU A 96 164.879 -0.640 11.685 1.00 0.00 H new ATOM 0 HA GLU A 96 164.249 0.862 14.203 1.00 0.00 H new ATOM 0 HB2 GLU A 96 165.882 -1.637 13.442 1.00 0.00 H new ATOM 0 HB3 GLU A 96 165.621 -1.102 15.090 1.00 0.00 H new ATOM 0 HG2 GLU A 96 163.022 -1.138 14.205 1.00 0.00 H new ATOM 0 HG3 GLU A 96 163.694 -2.396 13.186 1.00 0.00 H new ATOM 286 N SER A 97 166.596 1.859 12.629 1.00 0.00 N ATOM 287 CA SER A 97 167.840 2.701 12.596 1.00 0.00 C ATOM 288 C SER A 97 169.067 2.035 13.239 1.00 0.00 C ATOM 289 O SER A 97 169.870 2.702 13.867 1.00 0.00 O ATOM 290 CB SER A 97 167.469 3.972 13.357 1.00 0.00 C ATOM 291 OG SER A 97 168.450 4.971 13.110 1.00 0.00 O ATOM 0 H SER A 97 166.024 1.928 11.787 1.00 0.00 H new ATOM 0 HA SER A 97 168.140 2.879 11.563 1.00 0.00 H new ATOM 0 HB2 SER A 97 166.487 4.325 13.042 1.00 0.00 H new ATOM 0 HB3 SER A 97 167.406 3.765 14.425 1.00 0.00 H new ATOM 0 HG SER A 97 169.332 4.637 13.377 1.00 0.00 H new ATOM 297 N THR A 98 169.227 0.740 13.091 1.00 0.00 N ATOM 298 CA THR A 98 170.419 0.072 13.705 1.00 0.00 C ATOM 299 C THR A 98 171.698 0.612 13.058 1.00 0.00 C ATOM 300 O THR A 98 172.717 0.762 13.705 1.00 0.00 O ATOM 301 CB THR A 98 170.249 -1.420 13.404 1.00 0.00 C ATOM 302 OG1 THR A 98 170.083 -1.603 12.005 1.00 0.00 O ATOM 303 CG2 THR A 98 169.020 -1.955 14.141 1.00 0.00 C ATOM 0 H THR A 98 168.594 0.125 12.580 1.00 0.00 H new ATOM 0 HA THR A 98 170.494 0.255 14.777 1.00 0.00 H new ATOM 0 HB THR A 98 171.134 -1.962 13.739 1.00 0.00 H new ATOM 0 HG1 THR A 98 169.976 -2.557 11.810 1.00 0.00 H new ATOM 0 HG21 THR A 98 168.900 -3.017 13.926 1.00 0.00 H new ATOM 0 HG22 THR A 98 169.150 -1.815 15.214 1.00 0.00 H new ATOM 0 HG23 THR A 98 168.133 -1.415 13.809 1.00 0.00 H new ATOM 311 N GLY A 99 171.639 0.918 11.788 1.00 0.00 N ATOM 312 CA GLY A 99 172.838 1.464 11.084 1.00 0.00 C ATOM 313 C GLY A 99 173.649 0.336 10.430 1.00 0.00 C ATOM 314 O GLY A 99 174.772 0.549 10.008 1.00 0.00 O ATOM 0 H GLY A 99 170.808 0.813 11.205 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.524 2.180 10.324 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.465 2.005 11.792 1.00 0.00 H new ATOM 318 N LYS A 100 173.106 -0.856 10.338 1.00 0.00 N ATOM 319 CA LYS A 100 173.866 -1.979 9.708 1.00 0.00 C ATOM 320 C LYS A 100 172.987 -2.719 8.695 1.00 0.00 C ATOM 321 O LYS A 100 171.775 -2.721 8.804 1.00 0.00 O ATOM 322 CB LYS A 100 174.229 -2.904 10.869 1.00 0.00 C ATOM 323 CG LYS A 100 175.251 -2.212 11.771 1.00 0.00 C ATOM 324 CD LYS A 100 175.890 -3.244 12.700 1.00 0.00 C ATOM 325 CE LYS A 100 176.914 -2.554 13.604 1.00 0.00 C ATOM 326 NZ LYS A 100 177.654 -3.667 14.265 1.00 0.00 N ATOM 0 H LYS A 100 172.173 -1.097 10.671 1.00 0.00 H new ATOM 0 HA LYS A 100 174.745 -1.628 9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.336 -3.156 11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.639 -3.840 10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 100 176.017 -1.728 11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 100 174.766 -1.431 12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 100 175.123 -3.728 13.305 1.00 0.00 H new ATOM 0 HD3 LYS A 100 176.374 -4.025 12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 100 177.587 -1.920 13.027 1.00 0.00 H new ATOM 0 HE3 LYS A 100 176.425 -1.914 14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 178.376 -3.274 14.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 176.989 -4.249 14.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 178.115 -4.255 13.542 1.00 0.00 H new ATOM 340 N VAL A 101 173.585 -3.359 7.721 1.00 0.00 N ATOM 341 CA VAL A 101 172.782 -4.116 6.709 1.00 0.00 C ATOM 342 C VAL A 101 173.601 -5.291 6.167 1.00 0.00 C ATOM 343 O VAL A 101 174.813 -5.306 6.261 1.00 0.00 O ATOM 344 CB VAL A 101 172.458 -3.116 5.593 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.582 -1.991 6.150 1.00 0.00 C ATOM 346 CG2 VAL A 101 173.755 -2.520 5.035 1.00 0.00 C ATOM 0 H VAL A 101 174.595 -3.391 7.582 1.00 0.00 H new ATOM 0 HA VAL A 101 171.870 -4.530 7.140 1.00 0.00 H new ATOM 0 HB VAL A 101 171.926 -3.633 4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.353 -1.281 5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 101 170.655 -2.411 6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 101 172.114 -1.479 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 101 173.518 -1.810 4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 101 174.292 -2.007 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 101 174.379 -3.318 4.633 1.00 0.00 H new ATOM 356 N SER A 102 172.947 -6.269 5.594 1.00 0.00 N ATOM 357 CA SER A 102 173.681 -7.444 5.032 1.00 0.00 C ATOM 358 C SER A 102 174.247 -7.096 3.655 1.00 0.00 C ATOM 359 O SER A 102 173.639 -6.368 2.894 1.00 0.00 O ATOM 360 CB SER A 102 172.632 -8.548 4.913 1.00 0.00 C ATOM 361 OG SER A 102 171.443 -8.008 4.351 1.00 0.00 O ATOM 0 H SER A 102 171.933 -6.305 5.491 1.00 0.00 H new ATOM 0 HA SER A 102 174.520 -7.746 5.658 1.00 0.00 H new ATOM 0 HB2 SER A 102 173.009 -9.357 4.287 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.423 -8.974 5.894 1.00 0.00 H new ATOM 0 HG SER A 102 170.768 -8.714 4.272 1.00 0.00 H new ATOM 367 N VAL A 103 175.411 -7.603 3.335 1.00 0.00 N ATOM 368 CA VAL A 103 176.031 -7.296 2.006 1.00 0.00 C ATOM 369 C VAL A 103 175.095 -7.703 0.858 1.00 0.00 C ATOM 370 O VAL A 103 174.982 -7.004 -0.130 1.00 0.00 O ATOM 371 CB VAL A 103 177.330 -8.115 1.967 1.00 0.00 C ATOM 372 CG1 VAL A 103 177.015 -9.610 2.077 1.00 0.00 C ATOM 373 CG2 VAL A 103 178.068 -7.845 0.651 1.00 0.00 C ATOM 0 H VAL A 103 175.961 -8.217 3.936 1.00 0.00 H new ATOM 0 HA VAL A 103 176.220 -6.229 1.884 1.00 0.00 H new ATOM 0 HB VAL A 103 177.959 -7.821 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 103 177.943 -10.181 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.498 -9.805 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 103 176.379 -9.910 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 103 178.989 -8.427 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 103 177.434 -8.132 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 103 178.307 -6.784 0.579 1.00 0.00 H new ATOM 383 N GLY A 104 174.432 -8.829 0.977 1.00 0.00 N ATOM 384 CA GLY A 104 173.514 -9.283 -0.112 1.00 0.00 C ATOM 385 C GLY A 104 172.424 -8.238 -0.353 1.00 0.00 C ATOM 386 O GLY A 104 172.071 -7.945 -1.480 1.00 0.00 O ATOM 0 H GLY A 104 174.488 -9.452 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 104 174.079 -9.448 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 104 173.061 -10.237 0.158 1.00 0.00 H new ATOM 390 N ASP A 105 171.893 -7.670 0.700 1.00 0.00 N ATOM 391 CA ASP A 105 170.826 -6.636 0.547 1.00 0.00 C ATOM 392 C ASP A 105 171.444 -5.278 0.208 1.00 0.00 C ATOM 393 O ASP A 105 170.914 -4.526 -0.588 1.00 0.00 O ATOM 394 CB ASP A 105 170.122 -6.584 1.903 1.00 0.00 C ATOM 395 CG ASP A 105 168.714 -6.014 1.727 1.00 0.00 C ATOM 396 OD1 ASP A 105 168.574 -5.046 0.997 1.00 0.00 O ATOM 397 OD2 ASP A 105 167.798 -6.555 2.324 1.00 0.00 O ATOM 0 H ASP A 105 172.154 -7.879 1.663 1.00 0.00 H new ATOM 0 HA ASP A 105 170.134 -6.877 -0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 105 170.070 -7.583 2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.692 -5.966 2.597 1.00 0.00 H new ATOM 402 N LEU A 106 172.558 -4.960 0.819 1.00 0.00 N ATOM 403 CA LEU A 106 173.215 -3.644 0.552 1.00 0.00 C ATOM 404 C LEU A 106 173.579 -3.528 -0.932 1.00 0.00 C ATOM 405 O LEU A 106 173.274 -2.540 -1.575 1.00 0.00 O ATOM 406 CB LEU A 106 174.479 -3.640 1.416 1.00 0.00 C ATOM 407 CG LEU A 106 175.176 -2.283 1.303 1.00 0.00 C ATOM 408 CD1 LEU A 106 175.993 -2.023 2.569 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.107 -2.286 0.088 1.00 0.00 C ATOM 0 H LEU A 106 173.041 -5.556 1.492 1.00 0.00 H new ATOM 0 HA LEU A 106 172.562 -2.804 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.221 -3.842 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 106 175.153 -4.434 1.095 1.00 0.00 H new ATOM 0 HG LEU A 106 174.427 -1.499 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 106 176.490 -1.056 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 106 175.331 -2.020 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 106 176.741 -2.807 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 106 176.604 -1.319 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 106 176.856 -3.070 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 106 175.526 -2.472 -0.815 1.00 0.00 H new ATOM 421 N ARG A 107 174.232 -4.522 -1.477 1.00 0.00 N ATOM 422 CA ARG A 107 174.622 -4.463 -2.919 1.00 0.00 C ATOM 423 C ARG A 107 173.380 -4.411 -3.811 1.00 0.00 C ATOM 424 O ARG A 107 173.417 -3.864 -4.898 1.00 0.00 O ATOM 425 CB ARG A 107 175.432 -5.736 -3.180 1.00 0.00 C ATOM 426 CG ARG A 107 176.235 -5.583 -4.477 1.00 0.00 C ATOM 427 CD ARG A 107 176.503 -6.965 -5.077 1.00 0.00 C ATOM 428 NE ARG A 107 177.114 -6.694 -6.407 1.00 0.00 N ATOM 429 CZ ARG A 107 177.047 -7.594 -7.350 1.00 0.00 C ATOM 430 NH1 ARG A 107 177.775 -8.674 -7.276 1.00 0.00 N ATOM 431 NH2 ARG A 107 176.251 -7.412 -8.369 1.00 0.00 N ATOM 0 H ARG A 107 174.512 -5.372 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 107 175.203 -3.569 -3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 107 176.106 -5.927 -2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.764 -6.594 -3.254 1.00 0.00 H new ATOM 0 HG2 ARG A 107 175.684 -4.967 -5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 107 177.177 -5.073 -4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 107 177.174 -7.546 -4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 107 175.581 -7.538 -5.175 1.00 0.00 H new ATOM 0 HE ARG A 107 177.585 -5.806 -6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 107 178.397 -8.816 -6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 107 177.722 -9.377 -8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 107 175.682 -6.567 -8.427 1.00 0.00 H new ATOM 0 HH22 ARG A 107 176.198 -8.115 -9.106 1.00 0.00 H new ATOM 445 N TYR A 108 172.283 -4.981 -3.370 1.00 0.00 N ATOM 446 CA TYR A 108 171.050 -4.963 -4.215 1.00 0.00 C ATOM 447 C TYR A 108 170.507 -3.536 -4.347 1.00 0.00 C ATOM 448 O TYR A 108 170.186 -3.092 -5.434 1.00 0.00 O ATOM 449 CB TYR A 108 170.045 -5.872 -3.506 1.00 0.00 C ATOM 450 CG TYR A 108 168.858 -6.111 -4.410 1.00 0.00 C ATOM 451 CD1 TYR A 108 167.823 -5.171 -4.469 1.00 0.00 C ATOM 452 CD2 TYR A 108 168.795 -7.273 -5.187 1.00 0.00 C ATOM 453 CE1 TYR A 108 166.723 -5.394 -5.308 1.00 0.00 C ATOM 454 CE2 TYR A 108 167.696 -7.496 -6.026 1.00 0.00 C ATOM 455 CZ TYR A 108 166.660 -6.556 -6.085 1.00 0.00 C ATOM 456 OH TYR A 108 165.576 -6.775 -6.912 1.00 0.00 O ATOM 0 H TYR A 108 172.190 -5.453 -2.471 1.00 0.00 H new ATOM 0 HA TYR A 108 171.251 -5.312 -5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.516 -6.821 -3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.719 -5.413 -2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 108 167.872 -4.275 -3.869 1.00 0.00 H new ATOM 0 HD2 TYR A 108 169.594 -7.998 -5.140 1.00 0.00 H new ATOM 0 HE1 TYR A 108 165.924 -4.669 -5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 108 167.648 -8.392 -6.627 1.00 0.00 H new ATOM 0 HH TYR A 108 165.690 -7.627 -7.382 1.00 0.00 H new ATOM 466 N MET A 109 170.388 -2.817 -3.253 1.00 0.00 N ATOM 467 CA MET A 109 169.847 -1.426 -3.338 1.00 0.00 C ATOM 468 C MET A 109 170.788 -0.542 -4.143 1.00 0.00 C ATOM 469 O MET A 109 170.344 0.261 -4.945 1.00 0.00 O ATOM 470 CB MET A 109 169.748 -0.936 -1.897 1.00 0.00 C ATOM 471 CG MET A 109 168.373 -1.304 -1.324 1.00 0.00 C ATOM 472 SD MET A 109 167.510 0.189 -0.757 1.00 0.00 S ATOM 473 CE MET A 109 167.619 1.123 -2.309 1.00 0.00 C ATOM 0 H MET A 109 170.640 -3.132 -2.316 1.00 0.00 H new ATOM 0 HA MET A 109 168.879 -1.396 -3.838 1.00 0.00 H new ATOM 0 HB2 MET A 109 170.537 -1.385 -1.294 1.00 0.00 H new ATOM 0 HB3 MET A 109 169.893 0.144 -1.858 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.778 -1.810 -2.084 1.00 0.00 H new ATOM 0 HG3 MET A 109 168.491 -2.002 -0.495 1.00 0.00 H new ATOM 0 HE1 MET A 109 166.751 1.775 -2.403 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.527 1.726 -2.308 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.644 0.430 -3.150 1.00 0.00 H new ATOM 483 N LEU A 110 172.079 -0.677 -3.960 1.00 0.00 N ATOM 484 CA LEU A 110 173.032 0.167 -4.750 1.00 0.00 C ATOM 485 C LEU A 110 172.743 -0.045 -6.238 1.00 0.00 C ATOM 486 O LEU A 110 172.646 0.891 -7.007 1.00 0.00 O ATOM 487 CB LEU A 110 174.430 -0.346 -4.381 1.00 0.00 C ATOM 488 CG LEU A 110 175.373 0.836 -4.137 1.00 0.00 C ATOM 489 CD1 LEU A 110 174.903 1.631 -2.915 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.789 0.311 -3.882 1.00 0.00 C ATOM 0 H LEU A 110 172.512 -1.328 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 110 172.943 1.233 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.374 -0.968 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.820 -0.974 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 110 175.371 1.484 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 110 175.577 2.471 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 110 173.894 2.005 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 110 174.903 0.984 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.462 1.150 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 110 176.784 -0.338 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 110 177.130 -0.253 -4.750 1.00 0.00 H new ATOM 502 N THR A 111 172.560 -1.280 -6.624 1.00 0.00 N ATOM 503 CA THR A 111 172.234 -1.585 -8.053 1.00 0.00 C ATOM 504 C THR A 111 170.922 -0.892 -8.442 1.00 0.00 C ATOM 505 O THR A 111 170.724 -0.494 -9.573 1.00 0.00 O ATOM 506 CB THR A 111 172.078 -3.107 -8.114 1.00 0.00 C ATOM 507 OG1 THR A 111 173.216 -3.722 -7.526 1.00 0.00 O ATOM 508 CG2 THR A 111 171.950 -3.551 -9.572 1.00 0.00 C ATOM 0 H THR A 111 172.622 -2.094 -6.012 1.00 0.00 H new ATOM 0 HA THR A 111 173.003 -1.233 -8.741 1.00 0.00 H new ATOM 0 HB THR A 111 171.182 -3.403 -7.568 1.00 0.00 H new ATOM 0 HG1 THR A 111 172.994 -4.023 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 111 171.839 -4.635 -9.614 1.00 0.00 H new ATOM 0 HG22 THR A 111 171.076 -3.079 -10.021 1.00 0.00 H new ATOM 0 HG23 THR A 111 172.844 -3.256 -10.122 1.00 0.00 H new ATOM 516 N GLY A 112 170.047 -0.720 -7.488 1.00 0.00 N ATOM 517 CA GLY A 112 168.753 -0.021 -7.741 1.00 0.00 C ATOM 518 C GLY A 112 168.924 1.498 -7.564 1.00 0.00 C ATOM 519 O GLY A 112 168.061 2.273 -7.926 1.00 0.00 O ATOM 0 H GLY A 112 170.176 -1.040 -6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.405 -0.240 -8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 112 167.992 -0.391 -7.054 1.00 0.00 H new ATOM 523 N LEU A 113 170.013 1.921 -6.966 1.00 0.00 N ATOM 524 CA LEU A 113 170.245 3.376 -6.703 1.00 0.00 C ATOM 525 C LEU A 113 171.089 4.047 -7.801 1.00 0.00 C ATOM 526 O LEU A 113 171.497 5.184 -7.651 1.00 0.00 O ATOM 527 CB LEU A 113 171.024 3.391 -5.381 1.00 0.00 C ATOM 528 CG LEU A 113 170.499 4.499 -4.465 1.00 0.00 C ATOM 529 CD1 LEU A 113 171.271 4.466 -3.146 1.00 0.00 C ATOM 530 CD2 LEU A 113 170.697 5.864 -5.130 1.00 0.00 C ATOM 0 H LEU A 113 170.762 1.308 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 113 169.304 3.926 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 113 170.930 2.425 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 113 172.085 3.546 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 113 169.437 4.340 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 113 170.902 5.253 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 113 171.131 3.497 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 113 172.332 4.624 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 113 170.321 6.647 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 113 171.758 6.027 -5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 113 170.153 5.891 -6.074 1.00 0.00 H new ATOM 542 N GLY A 114 171.383 3.368 -8.881 1.00 0.00 N ATOM 543 CA GLY A 114 172.232 3.990 -9.949 1.00 0.00 C ATOM 544 C GLY A 114 173.655 3.428 -9.840 1.00 0.00 C ATOM 545 O GLY A 114 174.625 4.087 -10.161 1.00 0.00 O ATOM 0 H GLY A 114 171.075 2.414 -9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 114 171.816 3.776 -10.934 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.245 5.074 -9.837 1.00 0.00 H new ATOM 549 N GLU A 115 173.764 2.201 -9.415 1.00 0.00 N ATOM 550 CA GLU A 115 175.104 1.547 -9.305 1.00 0.00 C ATOM 551 C GLU A 115 175.214 0.396 -10.303 1.00 0.00 C ATOM 552 O GLU A 115 174.458 -0.554 -10.242 1.00 0.00 O ATOM 553 CB GLU A 115 175.190 1.018 -7.875 1.00 0.00 C ATOM 554 CG GLU A 115 176.660 0.803 -7.490 1.00 0.00 C ATOM 555 CD GLU A 115 176.983 -0.694 -7.491 1.00 0.00 C ATOM 556 OE1 GLU A 115 177.021 -1.270 -8.566 1.00 0.00 O ATOM 557 OE2 GLU A 115 177.185 -1.238 -6.418 1.00 0.00 O ATOM 0 H GLU A 115 172.977 1.615 -9.136 1.00 0.00 H new ATOM 0 HA GLU A 115 175.912 2.244 -9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.724 1.724 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 115 174.641 0.080 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 115 177.310 1.325 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 115 176.853 1.225 -6.504 1.00 0.00 H new ATOM 564 N LYS A 116 176.163 0.454 -11.201 1.00 0.00 N ATOM 565 CA LYS A 116 176.329 -0.663 -12.174 1.00 0.00 C ATOM 566 C LYS A 116 177.743 -1.231 -12.062 1.00 0.00 C ATOM 567 O LYS A 116 178.498 -1.273 -13.013 1.00 0.00 O ATOM 568 CB LYS A 116 176.038 -0.090 -13.561 1.00 0.00 C ATOM 569 CG LYS A 116 174.551 0.253 -13.668 1.00 0.00 C ATOM 570 CD LYS A 116 174.256 0.827 -15.055 1.00 0.00 C ATOM 571 CE LYS A 116 172.769 1.169 -15.160 1.00 0.00 C ATOM 572 NZ LYS A 116 172.617 1.821 -16.491 1.00 0.00 N ATOM 0 H LYS A 116 176.826 1.222 -11.302 1.00 0.00 H new ATOM 0 HA LYS A 116 175.645 -1.488 -11.975 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.641 0.802 -13.732 1.00 0.00 H new ATOM 0 HB3 LYS A 116 176.312 -0.813 -14.330 1.00 0.00 H new ATOM 0 HG2 LYS A 116 173.948 -0.639 -13.497 1.00 0.00 H new ATOM 0 HG3 LYS A 116 174.278 0.975 -12.899 1.00 0.00 H new ATOM 0 HD2 LYS A 116 174.858 1.719 -15.227 1.00 0.00 H new ATOM 0 HD3 LYS A 116 174.529 0.105 -15.825 1.00 0.00 H new ATOM 0 HE2 LYS A 116 172.152 0.274 -15.086 1.00 0.00 H new ATOM 0 HE3 LYS A 116 172.460 1.837 -14.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 171.622 2.085 -16.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 173.211 2.674 -16.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 172.912 1.160 -17.237 1.00 0.00 H new ATOM 586 N LEU A 117 178.071 -1.708 -10.893 1.00 0.00 N ATOM 587 CA LEU A 117 179.397 -2.334 -10.653 1.00 0.00 C ATOM 588 C LEU A 117 179.272 -3.834 -10.930 1.00 0.00 C ATOM 589 O LEU A 117 178.224 -4.416 -10.716 1.00 0.00 O ATOM 590 CB LEU A 117 179.708 -2.072 -9.176 1.00 0.00 C ATOM 591 CG LEU A 117 179.761 -0.564 -8.919 1.00 0.00 C ATOM 592 CD1 LEU A 117 179.955 -0.308 -7.423 1.00 0.00 C ATOM 593 CD2 LEU A 117 180.931 0.048 -9.694 1.00 0.00 C ATOM 0 H LEU A 117 177.459 -1.688 -10.077 1.00 0.00 H new ATOM 0 HA LEU A 117 180.187 -1.937 -11.290 1.00 0.00 H new ATOM 0 HB2 LEU A 117 178.945 -2.531 -8.547 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.660 -2.530 -8.908 1.00 0.00 H new ATOM 0 HG LEU A 117 178.828 -0.108 -9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 117 179.993 0.766 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 117 179.123 -0.742 -6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.888 -0.765 -7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 117 180.967 1.122 -9.510 1.00 0.00 H new ATOM 0 HD22 LEU A 117 181.864 -0.408 -9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 117 180.795 -0.133 -10.760 1.00 0.00 H new ATOM 605 N THR A 118 180.318 -4.466 -11.389 1.00 0.00 N ATOM 606 CA THR A 118 180.241 -5.933 -11.663 1.00 0.00 C ATOM 607 C THR A 118 181.104 -6.699 -10.659 1.00 0.00 C ATOM 608 O THR A 118 182.154 -6.226 -10.273 1.00 0.00 O ATOM 609 CB THR A 118 180.787 -6.101 -13.079 1.00 0.00 C ATOM 610 OG1 THR A 118 180.209 -5.122 -13.929 1.00 0.00 O ATOM 611 CG2 THR A 118 180.444 -7.499 -13.597 1.00 0.00 C ATOM 0 H THR A 118 181.220 -4.033 -11.586 1.00 0.00 H new ATOM 0 HA THR A 118 179.226 -6.320 -11.572 1.00 0.00 H new ATOM 0 HB THR A 118 181.870 -5.976 -13.068 1.00 0.00 H new ATOM 0 HG1 THR A 118 180.561 -5.229 -14.837 1.00 0.00 H new ATOM 0 HG21 THR A 118 180.834 -7.618 -14.608 1.00 0.00 H new ATOM 0 HG22 THR A 118 180.892 -8.249 -12.945 1.00 0.00 H new ATOM 0 HG23 THR A 118 179.362 -7.627 -13.608 1.00 0.00 H new ATOM 619 N ASP A 119 180.662 -7.855 -10.198 1.00 0.00 N ATOM 620 CA ASP A 119 181.446 -8.647 -9.176 1.00 0.00 C ATOM 621 C ASP A 119 182.962 -8.623 -9.442 1.00 0.00 C ATOM 622 O ASP A 119 183.755 -8.693 -8.525 1.00 0.00 O ATOM 623 CB ASP A 119 180.918 -10.076 -9.309 1.00 0.00 C ATOM 624 CG ASP A 119 181.452 -10.928 -8.156 1.00 0.00 C ATOM 625 OD1 ASP A 119 181.583 -10.397 -7.064 1.00 0.00 O ATOM 626 OD2 ASP A 119 181.723 -12.095 -8.383 1.00 0.00 O ATOM 0 H ASP A 119 179.785 -8.288 -10.487 1.00 0.00 H new ATOM 0 HA ASP A 119 181.317 -8.226 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.828 -10.074 -9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 119 181.228 -10.502 -10.263 1.00 0.00 H new ATOM 631 N ALA A 120 183.363 -8.477 -10.681 1.00 0.00 N ATOM 632 CA ALA A 120 184.824 -8.390 -10.990 1.00 0.00 C ATOM 633 C ALA A 120 185.412 -7.163 -10.286 1.00 0.00 C ATOM 634 O ALA A 120 186.376 -7.259 -9.550 1.00 0.00 O ATOM 635 CB ALA A 120 184.900 -8.212 -12.510 1.00 0.00 C ATOM 0 H ALA A 120 182.744 -8.414 -11.489 1.00 0.00 H new ATOM 0 HA ALA A 120 185.379 -9.267 -10.657 1.00 0.00 H new ATOM 0 HB1 ALA A 120 185.944 -8.140 -12.816 1.00 0.00 H new ATOM 0 HB2 ALA A 120 184.436 -9.068 -13.000 1.00 0.00 H new ATOM 0 HB3 ALA A 120 184.374 -7.301 -12.796 1.00 0.00 H new ATOM 641 N GLU A 121 184.818 -6.015 -10.493 1.00 0.00 N ATOM 642 CA GLU A 121 185.311 -4.773 -9.824 1.00 0.00 C ATOM 643 C GLU A 121 184.868 -4.744 -8.354 1.00 0.00 C ATOM 644 O GLU A 121 185.625 -4.383 -7.474 1.00 0.00 O ATOM 645 CB GLU A 121 184.670 -3.622 -10.601 1.00 0.00 C ATOM 646 CG GLU A 121 185.404 -3.431 -11.930 1.00 0.00 C ATOM 647 CD GLU A 121 184.974 -4.521 -12.914 1.00 0.00 C ATOM 648 OE1 GLU A 121 183.819 -4.911 -12.869 1.00 0.00 O ATOM 649 OE2 GLU A 121 185.807 -4.945 -13.699 1.00 0.00 O ATOM 0 H GLU A 121 184.009 -5.884 -11.100 1.00 0.00 H new ATOM 0 HA GLU A 121 186.399 -4.710 -9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.616 -3.834 -10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.714 -2.704 -10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 121 185.182 -2.447 -12.342 1.00 0.00 H new ATOM 0 HG3 GLU A 121 186.482 -3.474 -11.772 1.00 0.00 H new ATOM 656 N VAL A 122 183.640 -5.121 -8.092 1.00 0.00 N ATOM 657 CA VAL A 122 183.125 -5.120 -6.683 1.00 0.00 C ATOM 658 C VAL A 122 183.949 -6.078 -5.815 1.00 0.00 C ATOM 659 O VAL A 122 184.202 -5.802 -4.657 1.00 0.00 O ATOM 660 CB VAL A 122 181.665 -5.589 -6.766 1.00 0.00 C ATOM 661 CG1 VAL A 122 181.037 -5.563 -5.365 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.868 -4.658 -7.685 1.00 0.00 C ATOM 0 H VAL A 122 182.969 -5.431 -8.795 1.00 0.00 H new ATOM 0 HA VAL A 122 183.199 -4.132 -6.230 1.00 0.00 H new ATOM 0 HB VAL A 122 181.642 -6.603 -7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 122 180.001 -5.896 -5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.594 -6.227 -4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 122 181.070 -4.547 -4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.834 -4.998 -7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.897 -3.643 -7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 122 181.306 -4.670 -8.683 1.00 0.00 H new ATOM 672 N ASP A 123 184.378 -7.192 -6.360 1.00 0.00 N ATOM 673 CA ASP A 123 185.195 -8.146 -5.548 1.00 0.00 C ATOM 674 C ASP A 123 186.507 -7.465 -5.140 1.00 0.00 C ATOM 675 O ASP A 123 186.965 -7.601 -4.023 1.00 0.00 O ATOM 676 CB ASP A 123 185.452 -9.355 -6.453 1.00 0.00 C ATOM 677 CG ASP A 123 186.288 -10.392 -5.700 1.00 0.00 C ATOM 678 OD1 ASP A 123 186.004 -10.622 -4.536 1.00 0.00 O ATOM 679 OD2 ASP A 123 187.197 -10.940 -6.301 1.00 0.00 O ATOM 0 H ASP A 123 184.199 -7.479 -7.322 1.00 0.00 H new ATOM 0 HA ASP A 123 184.691 -8.455 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.505 -9.795 -6.767 1.00 0.00 H new ATOM 0 HB3 ASP A 123 185.973 -9.041 -7.357 1.00 0.00 H new ATOM 684 N GLU A 124 187.093 -6.711 -6.035 1.00 0.00 N ATOM 685 CA GLU A 124 188.362 -5.987 -5.707 1.00 0.00 C ATOM 686 C GLU A 124 188.126 -5.029 -4.535 1.00 0.00 C ATOM 687 O GLU A 124 188.890 -4.981 -3.593 1.00 0.00 O ATOM 688 CB GLU A 124 188.705 -5.191 -6.971 1.00 0.00 C ATOM 689 CG GLU A 124 189.132 -6.154 -8.080 1.00 0.00 C ATOM 690 CD GLU A 124 190.445 -6.836 -7.689 1.00 0.00 C ATOM 691 OE1 GLU A 124 191.418 -6.130 -7.483 1.00 0.00 O ATOM 692 OE2 GLU A 124 190.455 -8.053 -7.602 1.00 0.00 O ATOM 0 H GLU A 124 186.747 -6.564 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 124 189.163 -6.668 -5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 124 187.841 -4.609 -7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.506 -4.483 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 124 188.357 -6.902 -8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 124 189.257 -5.613 -9.018 1.00 0.00 H new ATOM 699 N LEU A 125 187.068 -4.263 -4.602 1.00 0.00 N ATOM 700 CA LEU A 125 186.757 -3.292 -3.508 1.00 0.00 C ATOM 701 C LEU A 125 186.492 -4.028 -2.191 1.00 0.00 C ATOM 702 O LEU A 125 186.884 -3.591 -1.127 1.00 0.00 O ATOM 703 CB LEU A 125 185.480 -2.587 -3.969 1.00 0.00 C ATOM 704 CG LEU A 125 185.797 -1.689 -5.167 1.00 0.00 C ATOM 705 CD1 LEU A 125 184.499 -1.104 -5.724 1.00 0.00 C ATOM 706 CD2 LEU A 125 186.718 -0.551 -4.720 1.00 0.00 C ATOM 0 H LEU A 125 186.401 -4.268 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 125 187.582 -2.602 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 125 184.724 -3.323 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 125 185.066 -1.992 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 125 186.292 -2.276 -5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 125 184.725 -0.464 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 125 183.842 -1.914 -6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 125 184.004 -0.516 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 125 186.945 0.090 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 125 186.222 0.036 -3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 125 187.644 -0.967 -4.322 1.00 0.00 H new ATOM 718 N LEU A 126 185.800 -5.135 -2.268 1.00 0.00 N ATOM 719 CA LEU A 126 185.459 -5.915 -1.036 1.00 0.00 C ATOM 720 C LEU A 126 186.705 -6.540 -0.392 1.00 0.00 C ATOM 721 O LEU A 126 186.658 -6.993 0.735 1.00 0.00 O ATOM 722 CB LEU A 126 184.509 -7.015 -1.513 1.00 0.00 C ATOM 723 CG LEU A 126 183.150 -6.404 -1.859 1.00 0.00 C ATOM 724 CD1 LEU A 126 182.319 -7.420 -2.644 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.413 -6.035 -0.569 1.00 0.00 C ATOM 0 H LEU A 126 185.453 -5.537 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 126 185.015 -5.272 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.926 -7.517 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.392 -7.771 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 126 183.298 -5.509 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 126 181.351 -6.985 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.842 -7.686 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 126 182.171 -8.314 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.445 -5.600 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 126 182.265 -6.931 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 126 183.004 -5.312 -0.007 1.00 0.00 H new ATOM 737 N LYS A 127 187.801 -6.611 -1.107 1.00 0.00 N ATOM 738 CA LYS A 127 189.028 -7.258 -0.538 1.00 0.00 C ATOM 739 C LYS A 127 189.475 -6.587 0.768 1.00 0.00 C ATOM 740 O LYS A 127 190.257 -7.145 1.515 1.00 0.00 O ATOM 741 CB LYS A 127 190.110 -7.072 -1.604 1.00 0.00 C ATOM 742 CG LYS A 127 189.934 -8.122 -2.702 1.00 0.00 C ATOM 743 CD LYS A 127 191.150 -8.098 -3.630 1.00 0.00 C ATOM 744 CE LYS A 127 191.184 -9.384 -4.460 1.00 0.00 C ATOM 745 NZ LYS A 127 192.533 -9.397 -5.092 1.00 0.00 N ATOM 0 H LYS A 127 187.901 -6.251 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 127 188.838 -8.305 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 127 190.046 -6.071 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 127 191.098 -7.164 -1.154 1.00 0.00 H new ATOM 0 HG2 LYS A 127 189.821 -9.111 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 127 189.026 -7.921 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 127 191.102 -7.230 -4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 127 192.065 -8.006 -3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 127 191.033 -10.263 -3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 127 190.395 -9.390 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 192.633 -10.250 -5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 192.645 -8.552 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 193.263 -9.398 -4.352 1.00 0.00 H new ATOM 759 N GLY A 128 189.004 -5.391 1.047 1.00 0.00 N ATOM 760 CA GLY A 128 189.427 -4.695 2.299 1.00 0.00 C ATOM 761 C GLY A 128 188.243 -4.511 3.260 1.00 0.00 C ATOM 762 O GLY A 128 188.434 -4.141 4.404 1.00 0.00 O ATOM 0 H GLY A 128 188.348 -4.873 0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.212 -5.270 2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 128 189.852 -3.722 2.051 1.00 0.00 H new ATOM 766 N VAL A 129 187.027 -4.755 2.822 1.00 0.00 N ATOM 767 CA VAL A 129 185.858 -4.574 3.741 1.00 0.00 C ATOM 768 C VAL A 129 185.848 -5.666 4.821 1.00 0.00 C ATOM 769 O VAL A 129 186.012 -6.840 4.549 1.00 0.00 O ATOM 770 CB VAL A 129 184.605 -4.633 2.849 1.00 0.00 C ATOM 771 CG1 VAL A 129 184.373 -6.061 2.330 1.00 0.00 C ATOM 772 CG2 VAL A 129 183.389 -4.181 3.662 1.00 0.00 C ATOM 0 H VAL A 129 186.797 -5.068 1.879 1.00 0.00 H new ATOM 0 HA VAL A 129 185.902 -3.625 4.275 1.00 0.00 H new ATOM 0 HB VAL A 129 184.750 -3.974 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 129 183.482 -6.080 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 129 185.236 -6.380 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 129 184.236 -6.737 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 129 182.498 -4.220 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 129 183.259 -4.841 4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 129 183.543 -3.160 4.010 1.00 0.00 H new ATOM 782 N GLU A 130 185.670 -5.258 6.049 1.00 0.00 N ATOM 783 CA GLU A 130 185.658 -6.222 7.186 1.00 0.00 C ATOM 784 C GLU A 130 184.228 -6.526 7.645 1.00 0.00 C ATOM 785 O GLU A 130 183.631 -5.777 8.394 1.00 0.00 O ATOM 786 CB GLU A 130 186.429 -5.512 8.299 1.00 0.00 C ATOM 787 CG GLU A 130 186.881 -6.536 9.343 1.00 0.00 C ATOM 788 CD GLU A 130 187.964 -5.921 10.234 1.00 0.00 C ATOM 789 OE1 GLU A 130 187.916 -4.721 10.452 1.00 0.00 O ATOM 790 OE2 GLU A 130 188.820 -6.663 10.686 1.00 0.00 O ATOM 0 H GLU A 130 185.530 -4.283 6.315 1.00 0.00 H new ATOM 0 HA GLU A 130 186.099 -7.179 6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 130 187.294 -4.995 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 130 185.799 -4.755 8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 130 186.032 -6.850 9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 130 187.266 -7.428 8.849 1.00 0.00 H new ATOM 797 N VAL A 131 183.698 -7.644 7.222 1.00 0.00 N ATOM 798 CA VAL A 131 182.326 -8.045 7.645 1.00 0.00 C ATOM 799 C VAL A 131 182.411 -8.741 9.009 1.00 0.00 C ATOM 800 O VAL A 131 183.464 -9.207 9.404 1.00 0.00 O ATOM 801 CB VAL A 131 181.831 -9.008 6.555 1.00 0.00 C ATOM 802 CG1 VAL A 131 182.765 -10.219 6.442 1.00 0.00 C ATOM 803 CG2 VAL A 131 180.427 -9.488 6.907 1.00 0.00 C ATOM 0 H VAL A 131 184.163 -8.302 6.596 1.00 0.00 H new ATOM 0 HA VAL A 131 181.646 -7.200 7.753 1.00 0.00 H new ATOM 0 HB VAL A 131 181.819 -8.482 5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 131 182.398 -10.890 5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 131 183.769 -9.881 6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 131 182.792 -10.748 7.395 1.00 0.00 H new ATOM 0 HG21 VAL A 131 180.072 -10.172 6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 131 180.449 -10.004 7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 131 179.755 -8.632 6.970 1.00 0.00 H new ATOM 813 N ASP A 132 181.326 -8.795 9.737 1.00 0.00 N ATOM 814 CA ASP A 132 181.360 -9.440 11.085 1.00 0.00 C ATOM 815 C ASP A 132 180.898 -10.900 11.021 1.00 0.00 C ATOM 816 O ASP A 132 180.576 -11.424 9.972 1.00 0.00 O ATOM 817 CB ASP A 132 180.398 -8.615 11.940 1.00 0.00 C ATOM 818 CG ASP A 132 180.918 -7.180 12.053 1.00 0.00 C ATOM 819 OD1 ASP A 132 182.083 -7.017 12.378 1.00 0.00 O ATOM 820 OD2 ASP A 132 180.143 -6.270 11.813 1.00 0.00 O ATOM 0 H ASP A 132 180.419 -8.421 9.458 1.00 0.00 H new ATOM 0 HA ASP A 132 182.371 -9.460 11.492 1.00 0.00 H new ATOM 0 HB2 ASP A 132 179.404 -8.619 11.494 1.00 0.00 H new ATOM 0 HB3 ASP A 132 180.304 -9.058 12.931 1.00 0.00 H new ATOM 825 N SER A 133 180.881 -11.555 12.154 1.00 0.00 N ATOM 826 CA SER A 133 180.461 -12.990 12.212 1.00 0.00 C ATOM 827 C SER A 133 178.952 -13.163 11.963 1.00 0.00 C ATOM 828 O SER A 133 178.458 -14.276 11.930 1.00 0.00 O ATOM 829 CB SER A 133 180.819 -13.446 13.626 1.00 0.00 C ATOM 830 OG SER A 133 182.137 -13.015 13.940 1.00 0.00 O ATOM 0 H SER A 133 181.144 -11.152 13.053 1.00 0.00 H new ATOM 0 HA SER A 133 180.958 -13.575 11.438 1.00 0.00 H new ATOM 0 HB2 SER A 133 180.109 -13.035 14.344 1.00 0.00 H new ATOM 0 HB3 SER A 133 180.752 -14.532 13.698 1.00 0.00 H new ATOM 0 HG SER A 133 182.369 -13.305 14.847 1.00 0.00 H new ATOM 836 N ASN A 134 178.216 -12.093 11.766 1.00 0.00 N ATOM 837 CA ASN A 134 176.752 -12.223 11.497 1.00 0.00 C ATOM 838 C ASN A 134 176.447 -11.904 10.024 1.00 0.00 C ATOM 839 O ASN A 134 175.354 -12.152 9.549 1.00 0.00 O ATOM 840 CB ASN A 134 176.079 -11.210 12.422 1.00 0.00 C ATOM 841 CG ASN A 134 174.562 -11.410 12.378 1.00 0.00 C ATOM 842 OD1 ASN A 134 173.892 -10.871 11.520 1.00 0.00 O ATOM 843 ND2 ASN A 134 173.990 -12.168 13.273 1.00 0.00 N ATOM 0 H ASN A 134 178.569 -11.136 11.780 1.00 0.00 H new ATOM 0 HA ASN A 134 176.391 -13.235 11.679 1.00 0.00 H new ATOM 0 HB2 ASN A 134 176.444 -11.334 13.442 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.332 -10.196 12.114 1.00 0.00 H new ATOM 0 HD21 ASN A 134 172.980 -12.308 13.252 1.00 0.00 H new ATOM 0 HD22 ASN A 134 174.553 -12.620 13.993 1.00 0.00 H new ATOM 850 N GLY A 135 177.399 -11.360 9.300 1.00 0.00 N ATOM 851 CA GLY A 135 177.157 -11.032 7.864 1.00 0.00 C ATOM 852 C GLY A 135 176.612 -9.608 7.746 1.00 0.00 C ATOM 853 O GLY A 135 175.863 -9.294 6.840 1.00 0.00 O ATOM 0 H GLY A 135 178.331 -11.131 9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.084 -11.125 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.449 -11.740 7.434 1.00 0.00 H new ATOM 857 N GLU A 136 176.972 -8.751 8.668 1.00 0.00 N ATOM 858 CA GLU A 136 176.468 -7.347 8.629 1.00 0.00 C ATOM 859 C GLU A 136 177.587 -6.364 8.286 1.00 0.00 C ATOM 860 O GLU A 136 178.682 -6.429 8.812 1.00 0.00 O ATOM 861 CB GLU A 136 175.935 -7.078 10.037 1.00 0.00 C ATOM 862 CG GLU A 136 174.661 -7.894 10.269 1.00 0.00 C ATOM 863 CD GLU A 136 174.125 -7.626 11.680 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.337 -6.532 12.179 1.00 0.00 O ATOM 865 OE2 GLU A 136 173.509 -8.519 12.236 1.00 0.00 O ATOM 0 H GLU A 136 177.595 -8.965 9.447 1.00 0.00 H new ATOM 0 HA GLU A 136 175.703 -7.218 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.689 -7.343 10.779 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.726 -6.015 10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 136 173.908 -7.629 9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 136 174.871 -8.956 10.145 1.00 0.00 H new ATOM 872 N ILE A 137 177.296 -5.440 7.411 1.00 0.00 N ATOM 873 CA ILE A 137 178.300 -4.414 7.011 1.00 0.00 C ATOM 874 C ILE A 137 177.680 -3.024 7.208 1.00 0.00 C ATOM 875 O ILE A 137 176.492 -2.900 7.441 1.00 0.00 O ATOM 876 CB ILE A 137 178.596 -4.705 5.532 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.347 -6.036 5.426 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.468 -3.594 4.935 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.349 -7.182 5.255 1.00 0.00 C ATOM 0 H ILE A 137 176.391 -5.352 6.950 1.00 0.00 H new ATOM 0 HA ILE A 137 179.218 -4.443 7.598 1.00 0.00 H new ATOM 0 HB ILE A 137 177.655 -4.754 4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 137 180.034 -6.010 4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 137 179.949 -6.196 6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 137 179.670 -3.814 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 137 178.946 -2.640 5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.409 -3.537 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 137 178.888 -8.126 5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 137 177.680 -7.213 6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 137 177.766 -7.024 4.348 1.00 0.00 H new ATOM 891 N ASP A 138 178.471 -1.985 7.123 1.00 0.00 N ATOM 892 CA ASP A 138 177.918 -0.609 7.313 1.00 0.00 C ATOM 893 C ASP A 138 177.634 0.047 5.956 1.00 0.00 C ATOM 894 O ASP A 138 178.536 0.294 5.177 1.00 0.00 O ATOM 895 CB ASP A 138 179.011 0.154 8.061 1.00 0.00 C ATOM 896 CG ASP A 138 178.481 1.528 8.479 1.00 0.00 C ATOM 897 OD1 ASP A 138 178.246 2.342 7.602 1.00 0.00 O ATOM 898 OD2 ASP A 138 178.319 1.740 9.670 1.00 0.00 O ATOM 0 H ASP A 138 179.472 -2.029 6.931 1.00 0.00 H new ATOM 0 HA ASP A 138 176.975 -0.616 7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 138 179.326 -0.409 8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 138 179.889 0.269 7.425 1.00 0.00 H new ATOM 903 N TYR A 139 176.386 0.310 5.663 1.00 0.00 N ATOM 904 CA TYR A 139 176.027 0.927 4.347 1.00 0.00 C ATOM 905 C TYR A 139 176.530 2.374 4.243 1.00 0.00 C ATOM 906 O TYR A 139 176.918 2.819 3.181 1.00 0.00 O ATOM 907 CB TYR A 139 174.490 0.878 4.275 1.00 0.00 C ATOM 908 CG TYR A 139 173.861 1.719 5.365 1.00 0.00 C ATOM 909 CD1 TYR A 139 173.672 3.093 5.170 1.00 0.00 C ATOM 910 CD2 TYR A 139 173.450 1.120 6.562 1.00 0.00 C ATOM 911 CE1 TYR A 139 173.073 3.866 6.172 1.00 0.00 C ATOM 912 CE2 TYR A 139 172.855 1.893 7.563 1.00 0.00 C ATOM 913 CZ TYR A 139 172.666 3.266 7.369 1.00 0.00 C ATOM 914 OH TYR A 139 172.077 4.029 8.356 1.00 0.00 O ATOM 0 H TYR A 139 175.596 0.124 6.280 1.00 0.00 H new ATOM 0 HA TYR A 139 176.492 0.389 3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.158 1.235 3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.152 -0.154 4.369 1.00 0.00 H new ATOM 0 HD1 TYR A 139 173.988 3.556 4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 139 173.593 0.060 6.712 1.00 0.00 H new ATOM 0 HE1 TYR A 139 172.925 4.925 6.021 1.00 0.00 H new ATOM 0 HE2 TYR A 139 172.541 1.430 8.487 1.00 0.00 H new ATOM 0 HH TYR A 139 171.449 3.476 8.866 1.00 0.00 H new ATOM 924 N LYS A 140 176.506 3.114 5.322 1.00 0.00 N ATOM 925 CA LYS A 140 176.963 4.539 5.262 1.00 0.00 C ATOM 926 C LYS A 140 178.474 4.616 5.021 1.00 0.00 C ATOM 927 O LYS A 140 178.954 5.460 4.288 1.00 0.00 O ATOM 928 CB LYS A 140 176.607 5.143 6.631 1.00 0.00 C ATOM 929 CG LYS A 140 175.589 6.269 6.452 1.00 0.00 C ATOM 930 CD LYS A 140 175.297 6.916 7.808 1.00 0.00 C ATOM 931 CE LYS A 140 174.484 8.195 7.600 1.00 0.00 C ATOM 932 NZ LYS A 140 175.015 9.155 8.607 1.00 0.00 N ATOM 0 H LYS A 140 176.192 2.797 6.239 1.00 0.00 H new ATOM 0 HA LYS A 140 176.486 5.078 4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 140 176.198 4.372 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 140 177.506 5.526 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 140 175.975 7.015 5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 140 174.669 5.876 6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 140 174.746 6.222 8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 140 176.231 7.146 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 140 174.604 8.579 6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 140 173.419 8.015 7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 174.506 10.059 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 174.881 8.766 9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 176.029 9.312 8.436 1.00 0.00 H new ATOM 946 N LYS A 141 179.221 3.749 5.651 1.00 0.00 N ATOM 947 CA LYS A 141 180.707 3.771 5.487 1.00 0.00 C ATOM 948 C LYS A 141 181.115 3.381 4.065 1.00 0.00 C ATOM 949 O LYS A 141 181.999 3.981 3.482 1.00 0.00 O ATOM 950 CB LYS A 141 181.240 2.752 6.495 1.00 0.00 C ATOM 951 CG LYS A 141 181.229 3.369 7.895 1.00 0.00 C ATOM 952 CD LYS A 141 182.215 2.619 8.793 1.00 0.00 C ATOM 953 CE LYS A 141 182.528 3.464 10.033 1.00 0.00 C ATOM 954 NZ LYS A 141 184.004 3.365 10.206 1.00 0.00 N ATOM 0 H LYS A 141 178.867 3.024 6.274 1.00 0.00 H new ATOM 0 HA LYS A 141 181.111 4.769 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 141 180.626 1.851 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.253 2.453 6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 141 181.500 4.423 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 141 180.226 3.319 8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 141 181.793 1.660 9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 141 183.133 2.407 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 141 182.216 4.499 9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 141 182.002 3.087 10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 184.294 3.919 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 184.271 2.369 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 184.479 3.737 9.359 1.00 0.00 H new ATOM 968 N PHE A 142 180.498 2.364 3.513 1.00 0.00 N ATOM 969 CA PHE A 142 180.874 1.917 2.138 1.00 0.00 C ATOM 970 C PHE A 142 180.416 2.940 1.100 1.00 0.00 C ATOM 971 O PHE A 142 181.013 3.078 0.052 1.00 0.00 O ATOM 972 CB PHE A 142 180.182 0.569 1.929 1.00 0.00 C ATOM 973 CG PHE A 142 180.696 -0.082 0.663 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.074 -0.241 0.464 1.00 0.00 C ATOM 975 CD2 PHE A 142 179.793 -0.529 -0.309 1.00 0.00 C ATOM 976 CE1 PHE A 142 182.548 -0.846 -0.706 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.269 -1.137 -1.480 1.00 0.00 C ATOM 978 CZ PHE A 142 181.645 -1.295 -1.677 1.00 0.00 C ATOM 0 H PHE A 142 179.752 1.826 3.955 1.00 0.00 H new ATOM 0 HA PHE A 142 181.954 1.823 2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 142 180.367 -0.081 2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.103 0.710 1.864 1.00 0.00 H new ATOM 0 HD1 PHE A 142 182.771 0.103 1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 142 178.731 -0.406 -0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 142 183.610 -0.966 -0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 142 179.573 -1.483 -2.230 1.00 0.00 H new ATOM 0 HZ PHE A 142 182.011 -1.764 -2.579 1.00 0.00 H new ATOM 988 N ILE A 143 179.373 3.670 1.392 1.00 0.00 N ATOM 989 CA ILE A 143 178.878 4.707 0.437 1.00 0.00 C ATOM 990 C ILE A 143 179.764 5.960 0.532 1.00 0.00 C ATOM 991 O ILE A 143 180.227 6.475 -0.468 1.00 0.00 O ATOM 992 CB ILE A 143 177.436 4.992 0.900 1.00 0.00 C ATOM 993 CG1 ILE A 143 176.544 3.777 0.576 1.00 0.00 C ATOM 994 CG2 ILE A 143 176.877 6.252 0.224 1.00 0.00 C ATOM 995 CD1 ILE A 143 176.347 3.628 -0.939 1.00 0.00 C ATOM 0 H ILE A 143 178.838 3.593 2.257 1.00 0.00 H new ATOM 0 HA ILE A 143 178.907 4.389 -0.605 1.00 0.00 H new ATOM 0 HB ILE A 143 177.444 5.164 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 143 176.997 2.871 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 143 175.576 3.892 1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 143 175.858 6.429 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 143 177.500 7.109 0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 143 176.875 6.114 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 143 175.714 2.764 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 143 175.872 4.526 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 143 177.315 3.489 -1.420 1.00 0.00 H new ATOM 1007 N GLU A 144 180.004 6.445 1.724 1.00 0.00 N ATOM 1008 CA GLU A 144 180.865 7.659 1.887 1.00 0.00 C ATOM 1009 C GLU A 144 182.267 7.398 1.327 1.00 0.00 C ATOM 1010 O GLU A 144 182.941 8.313 0.891 1.00 0.00 O ATOM 1011 CB GLU A 144 180.933 7.908 3.394 1.00 0.00 C ATOM 1012 CG GLU A 144 179.568 8.388 3.896 1.00 0.00 C ATOM 1013 CD GLU A 144 179.631 8.638 5.406 1.00 0.00 C ATOM 1014 OE1 GLU A 144 180.696 8.987 5.889 1.00 0.00 O ATOM 1015 OE2 GLU A 144 178.611 8.475 6.055 1.00 0.00 O ATOM 0 H GLU A 144 179.641 6.053 2.593 1.00 0.00 H new ATOM 0 HA GLU A 144 180.462 8.518 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 144 181.221 6.993 3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 144 181.696 8.654 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 144 179.281 9.303 3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 144 178.805 7.642 3.673 1.00 0.00 H new ATOM 1022 N ASP A 145 182.709 6.164 1.322 1.00 0.00 N ATOM 1023 CA ASP A 145 184.065 5.866 0.770 1.00 0.00 C ATOM 1024 C ASP A 145 183.985 5.605 -0.744 1.00 0.00 C ATOM 1025 O ASP A 145 184.994 5.613 -1.425 1.00 0.00 O ATOM 1026 CB ASP A 145 184.575 4.641 1.530 1.00 0.00 C ATOM 1027 CG ASP A 145 186.087 4.515 1.338 1.00 0.00 C ATOM 1028 OD1 ASP A 145 186.492 3.943 0.340 1.00 0.00 O ATOM 1029 OD2 ASP A 145 186.815 4.991 2.194 1.00 0.00 O ATOM 0 H ASP A 145 182.194 5.357 1.673 1.00 0.00 H new ATOM 0 HA ASP A 145 184.747 6.706 0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 145 184.339 4.733 2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 145 184.076 3.742 1.169 1.00 0.00 H new ATOM 1034 N VAL A 146 182.802 5.428 -1.286 1.00 0.00 N ATOM 1035 CA VAL A 146 182.676 5.232 -2.762 1.00 0.00 C ATOM 1036 C VAL A 146 182.346 6.594 -3.389 1.00 0.00 C ATOM 1037 O VAL A 146 182.841 6.951 -4.440 1.00 0.00 O ATOM 1038 CB VAL A 146 181.532 4.221 -2.942 1.00 0.00 C ATOM 1039 CG1 VAL A 146 181.126 4.129 -4.420 1.00 0.00 C ATOM 1040 CG2 VAL A 146 182.004 2.843 -2.474 1.00 0.00 C ATOM 0 H VAL A 146 181.922 5.411 -0.770 1.00 0.00 H new ATOM 0 HA VAL A 146 183.581 4.859 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 146 180.675 4.551 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 146 180.315 3.409 -4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 146 180.793 5.107 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 146 181.982 3.806 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 146 181.197 2.120 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 146 182.864 2.532 -3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 146 182.287 2.893 -1.423 1.00 0.00 H new ATOM 1050 N LEU A 147 181.517 7.354 -2.722 1.00 0.00 N ATOM 1051 CA LEU A 147 181.139 8.711 -3.224 1.00 0.00 C ATOM 1052 C LEU A 147 182.372 9.608 -3.379 1.00 0.00 C ATOM 1053 O LEU A 147 182.359 10.569 -4.125 1.00 0.00 O ATOM 1054 CB LEU A 147 180.197 9.286 -2.164 1.00 0.00 C ATOM 1055 CG LEU A 147 178.766 8.832 -2.450 1.00 0.00 C ATOM 1056 CD1 LEU A 147 177.908 9.026 -1.199 1.00 0.00 C ATOM 1057 CD2 LEU A 147 178.189 9.666 -3.597 1.00 0.00 C ATOM 0 H LEU A 147 181.080 7.090 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 147 180.671 8.654 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 147 180.503 8.954 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 147 180.251 10.375 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 147 178.768 7.778 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 147 176.888 8.702 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 147 178.319 8.435 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 147 177.905 10.080 -0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 147 177.168 9.344 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 147 178.188 10.719 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 147 178.800 9.529 -4.489 1.00 0.00 H new ATOM 1069 N ARG A 148 183.435 9.301 -2.678 1.00 0.00 N ATOM 1070 CA ARG A 148 184.677 10.133 -2.776 1.00 0.00 C ATOM 1071 C ARG A 148 185.173 10.186 -4.224 1.00 0.00 C ATOM 1072 O ARG A 148 185.109 9.209 -4.947 1.00 0.00 O ATOM 1073 CB ARG A 148 185.706 9.424 -1.891 1.00 0.00 C ATOM 1074 CG ARG A 148 185.538 9.888 -0.442 1.00 0.00 C ATOM 1075 CD ARG A 148 186.112 11.299 -0.290 1.00 0.00 C ATOM 1076 NE ARG A 148 185.760 11.709 1.097 1.00 0.00 N ATOM 1077 CZ ARG A 148 186.631 11.570 2.059 1.00 0.00 C ATOM 1078 NH1 ARG A 148 187.816 12.106 1.948 1.00 0.00 N ATOM 1079 NH2 ARG A 148 186.317 10.897 3.132 1.00 0.00 N ATOM 0 H ARG A 148 183.498 8.508 -2.040 1.00 0.00 H new ATOM 0 HA ARG A 148 184.503 11.162 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 148 185.575 8.344 -1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 148 186.715 9.644 -2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 148 184.483 9.881 -0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 148 186.049 9.201 0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 148 187.191 11.305 -0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 148 185.683 11.981 -1.024 1.00 0.00 H new ATOM 0 HE ARG A 148 184.838 12.098 1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 148 188.061 12.633 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 148 188.497 11.998 2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 148 185.391 10.479 3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 148 186.998 10.789 3.884 1.00 0.00 H new ATOM 1093 N GLN A 149 185.668 11.321 -4.648 1.00 0.00 N ATOM 1094 CA GLN A 149 186.174 11.447 -6.051 1.00 0.00 C ATOM 1095 C GLN A 149 187.378 10.526 -6.262 1.00 0.00 C ATOM 1096 O GLN A 149 187.880 10.484 -7.374 1.00 0.00 O ATOM 1097 CB GLN A 149 186.589 12.913 -6.201 1.00 0.00 C ATOM 1098 CG GLN A 149 185.341 13.797 -6.207 1.00 0.00 C ATOM 1099 CD GLN A 149 185.756 15.267 -6.113 1.00 0.00 C ATOM 1100 OE1 GLN A 149 186.083 15.884 -7.108 1.00 0.00 O ATOM 1101 NE2 GLN A 149 185.759 15.858 -4.950 1.00 0.00 N ATOM 1102 OXT GLN A 149 187.778 9.877 -5.309 1.00 0.00 O ATOM 0 H GLN A 149 185.744 12.167 -4.084 1.00 0.00 H new ATOM 0 HA GLN A 149 185.420 11.163 -6.785 1.00 0.00 H new ATOM 0 HB2 GLN A 149 187.248 13.201 -5.382 1.00 0.00 H new ATOM 0 HB3 GLN A 149 187.150 13.051 -7.125 1.00 0.00 H new ATOM 0 HG2 GLN A 149 184.767 13.628 -7.118 1.00 0.00 H new ATOM 0 HG3 GLN A 149 184.694 13.537 -5.369 1.00 0.00 H new ATOM 0 HE21 GLN A 149 185.485 15.341 -4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 149 186.036 16.837 -4.876 1.00 0.00 H new TER 1111 GLN A 149