USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 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 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= 0.0787 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -2.88! C(o=-2.9!,f=-3.4!) USER MOD Single : A 95 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0321) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00106 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0528 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 151:sc= -0.338 (180deg=-1.94!) USER MOD Single : A 111 THR OG1 : rot 87:sc= 1.11 USER MOD Single : A 116 LYS NZ :NH3+ -132:sc= -0.11 (180deg=-0.488) 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 USER MOD Single : A 134 ASN : amide:sc= -0.619 X(o=-0.62,f=-0.53!) USER MOD Single : A 139 TYR OH : rot 180:sc= -1.13 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 80 177.365 16.620 -8.310 1.00 0.00 N ATOM 2 CA LYS A 80 176.089 17.312 -8.658 1.00 0.00 C ATOM 3 C LYS A 80 174.972 16.881 -7.701 1.00 0.00 C ATOM 4 O LYS A 80 174.067 17.632 -7.397 1.00 0.00 O ATOM 5 CB LYS A 80 175.773 16.870 -10.088 1.00 0.00 C ATOM 6 CG LYS A 80 176.780 17.503 -11.051 1.00 0.00 C ATOM 7 CD LYS A 80 176.465 17.063 -12.482 1.00 0.00 C ATOM 8 CE LYS A 80 177.473 17.695 -13.445 1.00 0.00 C ATOM 9 NZ LYS A 80 176.677 18.054 -14.651 1.00 0.00 N ATOM 0 HA LYS A 80 176.173 18.396 -8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 80 175.816 15.783 -10.162 1.00 0.00 H new ATOM 0 HB3 LYS A 80 174.760 17.168 -10.357 1.00 0.00 H new ATOM 0 HG2 LYS A 80 176.737 18.590 -10.976 1.00 0.00 H new ATOM 0 HG3 LYS A 80 177.793 17.204 -10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 80 176.507 15.976 -12.557 1.00 0.00 H new ATOM 0 HD3 LYS A 80 175.452 17.363 -12.751 1.00 0.00 H new ATOM 0 HE2 LYS A 80 177.942 18.575 -13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 80 178.273 16.998 -13.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 177.299 18.494 -15.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 176.248 17.196 -15.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 175.927 18.724 -14.385 1.00 0.00 H new ATOM 23 N ALA A 81 175.052 15.666 -7.223 1.00 0.00 N ATOM 24 CA ALA A 81 174.029 15.139 -6.273 1.00 0.00 C ATOM 25 C ALA A 81 174.542 15.256 -4.835 1.00 0.00 C ATOM 26 O ALA A 81 175.728 15.415 -4.611 1.00 0.00 O ATOM 27 CB ALA A 81 173.877 13.665 -6.654 1.00 0.00 C ATOM 0 H ALA A 81 175.795 15.007 -7.455 1.00 0.00 H new ATOM 0 HA ALA A 81 173.087 15.685 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 81 173.140 13.195 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 81 173.547 13.589 -7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 81 174.836 13.159 -6.541 1.00 0.00 H new ATOM 33 N LYS A 82 173.666 15.197 -3.864 1.00 0.00 N ATOM 34 CA LYS A 82 174.114 15.325 -2.447 1.00 0.00 C ATOM 35 C LYS A 82 173.938 14.007 -1.689 1.00 0.00 C ATOM 36 O LYS A 82 173.255 13.100 -2.121 1.00 0.00 O ATOM 37 CB LYS A 82 173.241 16.430 -1.842 1.00 0.00 C ATOM 38 CG LYS A 82 171.758 16.054 -1.945 1.00 0.00 C ATOM 39 CD LYS A 82 171.080 16.898 -3.030 1.00 0.00 C ATOM 40 CE LYS A 82 169.562 16.738 -2.927 1.00 0.00 C ATOM 41 NZ LYS A 82 169.014 17.520 -4.070 1.00 0.00 N ATOM 0 H LYS A 82 172.663 15.066 -3.992 1.00 0.00 H new ATOM 0 HA LYS A 82 175.175 15.568 -2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 82 173.512 16.586 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 82 173.421 17.371 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 82 171.658 14.995 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 82 171.266 16.215 -0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 82 171.354 17.947 -2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 82 171.423 16.585 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 82 169.270 15.690 -2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 82 169.189 17.116 -1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 167.976 17.458 -4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 169.302 18.515 -3.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 169.381 17.133 -4.963 1.00 0.00 H new ATOM 55 N THR A 83 174.588 13.909 -0.554 1.00 0.00 N ATOM 56 CA THR A 83 174.517 12.661 0.273 1.00 0.00 C ATOM 57 C THR A 83 173.055 12.244 0.479 1.00 0.00 C ATOM 58 O THR A 83 172.742 11.078 0.608 1.00 0.00 O ATOM 59 CB THR A 83 175.166 13.031 1.609 1.00 0.00 C ATOM 60 OG1 THR A 83 176.316 13.832 1.371 1.00 0.00 O ATOM 61 CG2 THR A 83 175.577 11.757 2.351 1.00 0.00 C ATOM 0 H THR A 83 175.171 14.648 -0.161 1.00 0.00 H new ATOM 0 HA THR A 83 175.021 11.821 -0.204 1.00 0.00 H new ATOM 0 HB THR A 83 174.452 13.589 2.216 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.731 14.071 2.226 1.00 0.00 H new ATOM 0 HG21 THR A 83 176.039 12.023 3.302 1.00 0.00 H new ATOM 0 HG22 THR A 83 174.696 11.143 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.290 11.197 1.745 1.00 0.00 H new ATOM 69 N GLU A 84 172.166 13.201 0.507 1.00 0.00 N ATOM 70 CA GLU A 84 170.711 12.897 0.703 1.00 0.00 C ATOM 71 C GLU A 84 170.221 11.857 -0.312 1.00 0.00 C ATOM 72 O GLU A 84 169.403 11.012 0.001 1.00 0.00 O ATOM 73 CB GLU A 84 169.999 14.228 0.460 1.00 0.00 C ATOM 74 CG GLU A 84 170.379 15.223 1.560 1.00 0.00 C ATOM 75 CD GLU A 84 169.532 14.957 2.807 1.00 0.00 C ATOM 76 OE1 GLU A 84 169.281 13.798 3.093 1.00 0.00 O ATOM 77 OE2 GLU A 84 169.149 15.917 3.454 1.00 0.00 O ATOM 0 H GLU A 84 172.385 14.192 0.402 1.00 0.00 H new ATOM 0 HA GLU A 84 170.518 12.486 1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 84 170.275 14.627 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 84 168.919 14.078 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 84 171.438 15.128 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 84 170.221 16.244 1.212 1.00 0.00 H new ATOM 84 N ASP A 85 170.714 11.917 -1.523 1.00 0.00 N ATOM 85 CA ASP A 85 170.276 10.933 -2.562 1.00 0.00 C ATOM 86 C ASP A 85 170.621 9.511 -2.113 1.00 0.00 C ATOM 87 O ASP A 85 169.787 8.626 -2.121 1.00 0.00 O ATOM 88 CB ASP A 85 171.061 11.303 -3.823 1.00 0.00 C ATOM 89 CG ASP A 85 170.472 10.563 -5.027 1.00 0.00 C ATOM 90 OD1 ASP A 85 169.264 10.390 -5.057 1.00 0.00 O ATOM 91 OD2 ASP A 85 171.238 10.184 -5.897 1.00 0.00 O ATOM 0 H ASP A 85 171.400 12.603 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 85 169.200 10.964 -2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 85 171.018 12.380 -3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 85 172.112 11.041 -3.700 1.00 0.00 H new ATOM 96 N PHE A 86 171.849 9.295 -1.722 1.00 0.00 N ATOM 97 CA PHE A 86 172.275 7.937 -1.267 1.00 0.00 C ATOM 98 C PHE A 86 171.764 7.644 0.150 1.00 0.00 C ATOM 99 O PHE A 86 171.366 6.532 0.445 1.00 0.00 O ATOM 100 CB PHE A 86 173.809 7.963 -1.291 1.00 0.00 C ATOM 101 CG PHE A 86 174.320 7.067 -2.399 1.00 0.00 C ATOM 102 CD1 PHE A 86 173.869 7.244 -3.714 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.244 6.061 -2.108 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.348 6.409 -4.733 1.00 0.00 C ATOM 105 CE2 PHE A 86 175.721 5.228 -3.126 1.00 0.00 C ATOM 106 CZ PHE A 86 175.273 5.403 -4.439 1.00 0.00 C ATOM 0 H PHE A 86 172.581 10.005 -1.698 1.00 0.00 H new ATOM 0 HA PHE A 86 171.869 7.155 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.162 8.983 -1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.203 7.630 -0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.155 8.021 -3.942 1.00 0.00 H new ATOM 0 HD2 PHE A 86 175.591 5.926 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 86 174.002 6.543 -5.747 1.00 0.00 H new ATOM 0 HE2 PHE A 86 176.435 4.450 -2.898 1.00 0.00 H new ATOM 0 HZ PHE A 86 175.641 4.761 -5.226 1.00 0.00 H new ATOM 116 N VAL A 87 171.787 8.615 1.035 1.00 0.00 N ATOM 117 CA VAL A 87 171.315 8.358 2.436 1.00 0.00 C ATOM 118 C VAL A 87 169.848 7.912 2.419 1.00 0.00 C ATOM 119 O VAL A 87 169.480 6.942 3.054 1.00 0.00 O ATOM 120 CB VAL A 87 171.470 9.699 3.165 1.00 0.00 C ATOM 121 CG1 VAL A 87 170.980 9.565 4.611 1.00 0.00 C ATOM 122 CG2 VAL A 87 172.945 10.108 3.167 1.00 0.00 C ATOM 0 H VAL A 87 172.109 9.565 0.851 1.00 0.00 H new ATOM 0 HA VAL A 87 171.882 7.568 2.928 1.00 0.00 H new ATOM 0 HB VAL A 87 170.877 10.457 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 87 171.093 10.520 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 87 169.930 9.273 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.569 8.806 5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 87 173.058 11.061 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.533 9.346 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.296 10.209 2.140 1.00 0.00 H new ATOM 132 N LYS A 88 169.016 8.619 1.701 1.00 0.00 N ATOM 133 CA LYS A 88 167.567 8.249 1.640 1.00 0.00 C ATOM 134 C LYS A 88 167.402 6.828 1.090 1.00 0.00 C ATOM 135 O LYS A 88 166.477 6.122 1.436 1.00 0.00 O ATOM 136 CB LYS A 88 166.931 9.265 0.689 1.00 0.00 C ATOM 137 CG LYS A 88 165.417 9.052 0.654 1.00 0.00 C ATOM 138 CD LYS A 88 164.802 9.933 -0.437 1.00 0.00 C ATOM 139 CE LYS A 88 163.298 10.081 -0.190 1.00 0.00 C ATOM 140 NZ LYS A 88 163.142 11.424 0.435 1.00 0.00 N ATOM 0 H LYS A 88 169.276 9.439 1.152 1.00 0.00 H new ATOM 0 HA LYS A 88 167.101 8.266 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.159 10.279 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 88 167.348 9.153 -0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 88 165.191 8.004 0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 88 164.982 9.298 1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 88 165.279 10.913 -0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 88 164.978 9.491 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 88 162.736 10.011 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 88 162.926 9.294 0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 162.137 11.599 0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 163.682 11.459 1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 163.498 12.153 -0.216 1.00 0.00 H new ATOM 154 N ALA A 89 168.283 6.420 0.216 1.00 0.00 N ATOM 155 CA ALA A 89 168.175 5.057 -0.390 1.00 0.00 C ATOM 156 C ALA A 89 168.285 3.948 0.665 1.00 0.00 C ATOM 157 O ALA A 89 167.389 3.135 0.805 1.00 0.00 O ATOM 158 CB ALA A 89 169.341 4.965 -1.377 1.00 0.00 C ATOM 0 H ALA A 89 169.077 6.973 -0.107 1.00 0.00 H new ATOM 0 HA ALA A 89 167.206 4.919 -0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 89 169.330 3.990 -1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 89 169.243 5.747 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 89 170.282 5.092 -0.842 1.00 0.00 H new ATOM 164 N PHE A 90 169.377 3.884 1.387 1.00 0.00 N ATOM 165 CA PHE A 90 169.543 2.796 2.405 1.00 0.00 C ATOM 166 C PHE A 90 168.736 3.065 3.684 1.00 0.00 C ATOM 167 O PHE A 90 168.001 2.214 4.147 1.00 0.00 O ATOM 168 CB PHE A 90 171.041 2.774 2.717 1.00 0.00 C ATOM 169 CG PHE A 90 171.791 2.194 1.541 1.00 0.00 C ATOM 170 CD1 PHE A 90 171.777 0.812 1.319 1.00 0.00 C ATOM 171 CD2 PHE A 90 172.497 3.036 0.672 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.469 0.271 0.230 1.00 0.00 C ATOM 173 CE2 PHE A 90 173.189 2.494 -0.418 1.00 0.00 C ATOM 174 CZ PHE A 90 173.174 1.112 -0.638 1.00 0.00 C ATOM 0 H PHE A 90 170.159 4.535 1.317 1.00 0.00 H new ATOM 0 HA PHE A 90 169.175 1.844 2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 90 171.395 3.784 2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 90 171.229 2.179 3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 90 171.232 0.163 1.989 1.00 0.00 H new ATOM 0 HD2 PHE A 90 172.508 4.102 0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 90 172.459 -0.795 0.059 1.00 0.00 H new ATOM 0 HE2 PHE A 90 173.734 3.142 -1.088 1.00 0.00 H new ATOM 0 HZ PHE A 90 173.707 0.694 -1.479 1.00 0.00 H new ATOM 184 N GLN A 91 168.925 4.209 4.295 1.00 0.00 N ATOM 185 CA GLN A 91 168.233 4.505 5.595 1.00 0.00 C ATOM 186 C GLN A 91 166.729 4.189 5.565 1.00 0.00 C ATOM 187 O GLN A 91 166.192 3.712 6.549 1.00 0.00 O ATOM 188 CB GLN A 91 168.454 5.998 5.839 1.00 0.00 C ATOM 189 CG GLN A 91 169.874 6.227 6.359 1.00 0.00 C ATOM 190 CD GLN A 91 169.940 7.567 7.099 1.00 0.00 C ATOM 191 OE1 GLN A 91 168.936 8.068 7.564 1.00 0.00 O ATOM 192 NE2 GLN A 91 171.089 8.169 7.229 1.00 0.00 N ATOM 0 H GLN A 91 169.530 4.955 3.951 1.00 0.00 H new ATOM 0 HA GLN A 91 168.641 3.878 6.388 1.00 0.00 H new ATOM 0 HB2 GLN A 91 168.300 6.555 4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 91 167.727 6.371 6.561 1.00 0.00 H new ATOM 0 HG2 GLN A 91 170.162 5.416 7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 91 170.581 6.223 5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 91 171.932 7.748 6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 91 171.145 9.061 7.721 1.00 0.00 H new ATOM 201 N VAL A 92 166.037 4.436 4.477 1.00 0.00 N ATOM 202 CA VAL A 92 164.567 4.123 4.461 1.00 0.00 C ATOM 203 C VAL A 92 164.353 2.624 4.713 1.00 0.00 C ATOM 204 O VAL A 92 163.373 2.220 5.311 1.00 0.00 O ATOM 205 CB VAL A 92 164.047 4.529 3.077 1.00 0.00 C ATOM 206 CG1 VAL A 92 164.190 6.041 2.905 1.00 0.00 C ATOM 207 CG2 VAL A 92 164.840 3.805 1.980 1.00 0.00 C ATOM 0 H VAL A 92 166.414 4.832 3.616 1.00 0.00 H new ATOM 0 HA VAL A 92 164.031 4.663 5.242 1.00 0.00 H new ATOM 0 HB VAL A 92 162.997 4.249 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 92 163.821 6.332 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 92 163.611 6.551 3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 92 165.240 6.320 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 92 164.462 4.101 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 92 165.894 4.071 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 92 164.728 2.728 2.101 1.00 0.00 H new ATOM 217 N PHE A 93 165.282 1.806 4.285 1.00 0.00 N ATOM 218 CA PHE A 93 165.159 0.335 4.524 1.00 0.00 C ATOM 219 C PHE A 93 165.352 0.059 6.019 1.00 0.00 C ATOM 220 O PHE A 93 164.611 -0.705 6.605 1.00 0.00 O ATOM 221 CB PHE A 93 166.282 -0.304 3.704 1.00 0.00 C ATOM 222 CG PHE A 93 165.960 -1.758 3.452 1.00 0.00 C ATOM 223 CD1 PHE A 93 165.856 -2.650 4.526 1.00 0.00 C ATOM 224 CD2 PHE A 93 165.765 -2.210 2.144 1.00 0.00 C ATOM 225 CE1 PHE A 93 165.557 -3.997 4.288 1.00 0.00 C ATOM 226 CE2 PHE A 93 165.465 -3.557 1.906 1.00 0.00 C ATOM 227 CZ PHE A 93 165.360 -4.451 2.978 1.00 0.00 C ATOM 0 H PHE A 93 166.121 2.093 3.780 1.00 0.00 H new ATOM 0 HA PHE A 93 164.186 -0.064 4.235 1.00 0.00 H new ATOM 0 HB2 PHE A 93 166.399 0.223 2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 93 167.229 -0.218 4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 93 166.006 -2.300 5.537 1.00 0.00 H new ATOM 0 HD2 PHE A 93 165.846 -1.520 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 93 165.478 -4.687 5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 93 165.315 -3.906 0.895 1.00 0.00 H new ATOM 0 HZ PHE A 93 165.127 -5.490 2.795 1.00 0.00 H new ATOM 237 N ASP A 94 166.346 0.654 6.633 1.00 0.00 N ATOM 238 CA ASP A 94 166.591 0.405 8.093 1.00 0.00 C ATOM 239 C ASP A 94 165.407 0.892 8.937 1.00 0.00 C ATOM 240 O ASP A 94 165.434 1.972 9.495 1.00 0.00 O ATOM 241 CB ASP A 94 167.852 1.204 8.433 1.00 0.00 C ATOM 242 CG ASP A 94 169.080 0.491 7.865 1.00 0.00 C ATOM 243 OD1 ASP A 94 169.072 -0.729 7.834 1.00 0.00 O ATOM 244 OD2 ASP A 94 170.009 1.176 7.468 1.00 0.00 O ATOM 0 H ASP A 94 166.998 1.300 6.189 1.00 0.00 H new ATOM 0 HA ASP A 94 166.709 -0.658 8.305 1.00 0.00 H new ATOM 0 HB2 ASP A 94 167.780 2.210 8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 94 167.948 1.309 9.514 1.00 0.00 H new ATOM 249 N LYS A 95 164.370 0.099 9.025 1.00 0.00 N ATOM 250 CA LYS A 95 163.173 0.502 9.826 1.00 0.00 C ATOM 251 C LYS A 95 163.535 0.666 11.309 1.00 0.00 C ATOM 252 O LYS A 95 163.068 1.576 11.966 1.00 0.00 O ATOM 253 CB LYS A 95 162.152 -0.629 9.632 1.00 0.00 C ATOM 254 CG LYS A 95 162.705 -1.948 10.191 1.00 0.00 C ATOM 255 CD LYS A 95 161.742 -3.088 9.855 1.00 0.00 C ATOM 256 CE LYS A 95 162.176 -4.358 10.590 1.00 0.00 C ATOM 257 NZ LYS A 95 163.290 -4.913 9.772 1.00 0.00 N ATOM 0 H LYS A 95 164.300 -0.814 8.575 1.00 0.00 H new ATOM 0 HA LYS A 95 162.776 1.464 9.501 1.00 0.00 H new ATOM 0 HB2 LYS A 95 161.219 -0.376 10.135 1.00 0.00 H new ATOM 0 HB3 LYS A 95 161.922 -0.743 8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 95 163.688 -2.151 9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 95 162.833 -1.872 11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 95 160.727 -2.817 10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 95 161.731 -3.264 8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 95 162.505 -4.134 11.605 1.00 0.00 H new ATOM 0 HE3 LYS A 95 161.353 -5.068 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 163.052 -5.880 9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 163.435 -4.316 8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 164.162 -4.931 10.339 1.00 0.00 H new ATOM 271 N GLU A 96 164.358 -0.206 11.842 1.00 0.00 N ATOM 272 CA GLU A 96 164.741 -0.094 13.284 1.00 0.00 C ATOM 273 C GLU A 96 166.008 0.756 13.454 1.00 0.00 C ATOM 274 O GLU A 96 166.630 0.742 14.497 1.00 0.00 O ATOM 275 CB GLU A 96 164.998 -1.533 13.736 1.00 0.00 C ATOM 276 CG GLU A 96 163.666 -2.217 14.048 1.00 0.00 C ATOM 277 CD GLU A 96 163.123 -1.695 15.380 1.00 0.00 C ATOM 278 OE1 GLU A 96 163.841 -1.778 16.363 1.00 0.00 O ATOM 279 OE2 GLU A 96 162.000 -1.220 15.394 1.00 0.00 O ATOM 0 H GLU A 96 164.780 -0.988 11.341 1.00 0.00 H new ATOM 0 HA GLU A 96 163.963 0.393 13.872 1.00 0.00 H new ATOM 0 HB2 GLU A 96 165.526 -2.081 12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 96 165.637 -1.539 14.619 1.00 0.00 H new ATOM 0 HG2 GLU A 96 162.950 -2.022 13.250 1.00 0.00 H new ATOM 0 HG3 GLU A 96 163.803 -3.297 14.097 1.00 0.00 H new ATOM 286 N SER A 97 166.370 1.523 12.448 1.00 0.00 N ATOM 287 CA SER A 97 167.571 2.424 12.518 1.00 0.00 C ATOM 288 C SER A 97 168.768 1.820 13.271 1.00 0.00 C ATOM 289 O SER A 97 169.491 2.529 13.947 1.00 0.00 O ATOM 290 CB SER A 97 167.075 3.679 13.232 1.00 0.00 C ATOM 291 OG SER A 97 166.048 4.285 12.458 1.00 0.00 O ATOM 0 H SER A 97 165.870 1.563 11.560 1.00 0.00 H new ATOM 0 HA SER A 97 167.952 2.612 11.514 1.00 0.00 H new ATOM 0 HB2 SER A 97 166.697 3.423 14.222 1.00 0.00 H new ATOM 0 HB3 SER A 97 167.898 4.379 13.376 1.00 0.00 H new ATOM 0 HG SER A 97 165.726 5.090 12.915 1.00 0.00 H new ATOM 297 N THR A 98 168.991 0.532 13.162 1.00 0.00 N ATOM 298 CA THR A 98 170.154 -0.079 13.882 1.00 0.00 C ATOM 299 C THR A 98 171.457 0.504 13.331 1.00 0.00 C ATOM 300 O THR A 98 172.420 0.689 14.053 1.00 0.00 O ATOM 301 CB THR A 98 170.068 -1.582 13.598 1.00 0.00 C ATOM 302 OG1 THR A 98 170.110 -1.798 12.194 1.00 0.00 O ATOM 303 CG2 THR A 98 168.761 -2.138 14.164 1.00 0.00 C ATOM 0 H THR A 98 168.426 -0.116 12.613 1.00 0.00 H new ATOM 0 HA THR A 98 170.134 0.122 14.953 1.00 0.00 H new ATOM 0 HB THR A 98 170.908 -2.091 14.070 1.00 0.00 H new ATOM 0 HG1 THR A 98 170.057 -2.759 12.009 1.00 0.00 H new ATOM 0 HG21 THR A 98 168.702 -3.207 13.961 1.00 0.00 H new ATOM 0 HG22 THR A 98 168.731 -1.971 15.241 1.00 0.00 H new ATOM 0 HG23 THR A 98 167.917 -1.632 13.695 1.00 0.00 H new ATOM 311 N GLY A 99 171.486 0.803 12.059 1.00 0.00 N ATOM 312 CA GLY A 99 172.717 1.389 11.449 1.00 0.00 C ATOM 313 C GLY A 99 173.556 0.305 10.756 1.00 0.00 C ATOM 314 O GLY A 99 174.680 0.553 10.361 1.00 0.00 O ATOM 0 H GLY A 99 170.708 0.666 11.414 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.439 2.157 10.727 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.312 1.877 12.220 1.00 0.00 H new ATOM 318 N LYS A 100 173.032 -0.891 10.604 1.00 0.00 N ATOM 319 CA LYS A 100 173.819 -1.976 9.938 1.00 0.00 C ATOM 320 C LYS A 100 172.961 -2.689 8.889 1.00 0.00 C ATOM 321 O LYS A 100 171.749 -2.713 8.987 1.00 0.00 O ATOM 322 CB LYS A 100 174.183 -2.942 11.065 1.00 0.00 C ATOM 323 CG LYS A 100 175.190 -2.276 12.004 1.00 0.00 C ATOM 324 CD LYS A 100 175.859 -3.343 12.872 1.00 0.00 C ATOM 325 CE LYS A 100 176.795 -2.676 13.884 1.00 0.00 C ATOM 326 NZ LYS A 100 176.059 -2.722 15.179 1.00 0.00 N ATOM 0 H LYS A 100 172.097 -1.160 10.912 1.00 0.00 H new ATOM 0 HA LYS A 100 174.698 -1.590 9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.288 -3.226 11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.606 -3.857 10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 100 175.942 -1.738 11.426 1.00 0.00 H new ATOM 0 HG3 LYS A 100 174.687 -1.543 12.634 1.00 0.00 H new ATOM 0 HD2 LYS A 100 175.102 -3.928 13.394 1.00 0.00 H new ATOM 0 HD3 LYS A 100 176.420 -4.036 12.245 1.00 0.00 H new ATOM 0 HE2 LYS A 100 177.745 -3.206 13.951 1.00 0.00 H new ATOM 0 HE3 LYS A 100 177.022 -1.650 13.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 176.638 -2.283 15.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 175.162 -2.204 15.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 175.863 -3.712 15.432 1.00 0.00 H new ATOM 340 N VAL A 101 173.577 -3.287 7.896 1.00 0.00 N ATOM 341 CA VAL A 101 172.789 -4.018 6.855 1.00 0.00 C ATOM 342 C VAL A 101 173.614 -5.177 6.291 1.00 0.00 C ATOM 343 O VAL A 101 174.826 -5.197 6.397 1.00 0.00 O ATOM 344 CB VAL A 101 172.472 -2.987 5.764 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.606 -1.870 6.347 1.00 0.00 C ATOM 346 CG2 VAL A 101 173.775 -2.388 5.224 1.00 0.00 C ATOM 0 H VAL A 101 174.588 -3.300 7.763 1.00 0.00 H new ATOM 0 HA VAL A 101 171.874 -4.447 7.264 1.00 0.00 H new ATOM 0 HB VAL A 101 171.935 -3.479 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.383 -1.139 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 101 170.675 -2.292 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 101 172.142 -1.381 7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 101 173.546 -1.656 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 101 174.315 -1.900 6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 101 174.393 -3.181 4.802 1.00 0.00 H new ATOM 356 N SER A 102 172.964 -6.139 5.686 1.00 0.00 N ATOM 357 CA SER A 102 173.698 -7.302 5.100 1.00 0.00 C ATOM 358 C SER A 102 174.232 -6.941 3.713 1.00 0.00 C ATOM 359 O SER A 102 173.612 -6.197 2.978 1.00 0.00 O ATOM 360 CB SER A 102 172.653 -8.411 4.990 1.00 0.00 C ATOM 361 OG SER A 102 171.468 -7.883 4.407 1.00 0.00 O ATOM 0 H SER A 102 171.951 -6.169 5.572 1.00 0.00 H new ATOM 0 HA SER A 102 174.553 -7.600 5.707 1.00 0.00 H new ATOM 0 HB2 SER A 102 173.038 -9.230 4.382 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.436 -8.821 5.976 1.00 0.00 H new ATOM 0 HG SER A 102 170.796 -8.592 4.333 1.00 0.00 H new ATOM 367 N VAL A 103 175.378 -7.459 3.352 1.00 0.00 N ATOM 368 CA VAL A 103 175.964 -7.144 2.010 1.00 0.00 C ATOM 369 C VAL A 103 174.983 -7.519 0.889 1.00 0.00 C ATOM 370 O VAL A 103 174.857 -6.808 -0.092 1.00 0.00 O ATOM 371 CB VAL A 103 177.246 -7.986 1.921 1.00 0.00 C ATOM 372 CG1 VAL A 103 176.904 -9.476 2.028 1.00 0.00 C ATOM 373 CG2 VAL A 103 177.943 -7.719 0.583 1.00 0.00 C ATOM 0 H VAL A 103 175.936 -8.088 3.929 1.00 0.00 H new ATOM 0 HA VAL A 103 176.171 -6.080 1.895 1.00 0.00 H new ATOM 0 HB VAL A 103 177.909 -7.711 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 103 177.819 -10.065 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.414 -9.669 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 103 176.235 -9.755 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 103 178.852 -8.317 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 103 177.275 -7.988 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 103 178.198 -6.662 0.510 1.00 0.00 H new ATOM 383 N GLY A 104 174.297 -8.629 1.018 1.00 0.00 N ATOM 384 CA GLY A 104 173.335 -9.050 -0.045 1.00 0.00 C ATOM 385 C GLY A 104 172.260 -7.977 -0.238 1.00 0.00 C ATOM 386 O GLY A 104 171.875 -7.665 -1.349 1.00 0.00 O ATOM 0 H GLY A 104 174.363 -9.262 1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 104 173.866 -9.216 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 104 172.870 -9.997 0.229 1.00 0.00 H new ATOM 390 N ASP A 105 171.778 -7.408 0.839 1.00 0.00 N ATOM 391 CA ASP A 105 170.731 -6.348 0.732 1.00 0.00 C ATOM 392 C ASP A 105 171.366 -5.001 0.385 1.00 0.00 C ATOM 393 O ASP A 105 170.863 -4.261 -0.439 1.00 0.00 O ATOM 394 CB ASP A 105 170.073 -6.294 2.112 1.00 0.00 C ATOM 395 CG ASP A 105 168.822 -5.415 2.050 1.00 0.00 C ATOM 396 OD1 ASP A 105 168.823 -4.465 1.283 1.00 0.00 O ATOM 397 OD2 ASP A 105 167.883 -5.705 2.773 1.00 0.00 O ATOM 0 H ASP A 105 172.066 -7.634 1.791 1.00 0.00 H new ATOM 0 HA ASP A 105 170.008 -6.566 -0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 105 169.808 -7.299 2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.774 -5.895 2.845 1.00 0.00 H new ATOM 402 N LEU A 106 172.465 -4.676 1.021 1.00 0.00 N ATOM 403 CA LEU A 106 173.138 -3.369 0.744 1.00 0.00 C ATOM 404 C LEU A 106 173.541 -3.291 -0.732 1.00 0.00 C ATOM 405 O LEU A 106 173.257 -2.318 -1.406 1.00 0.00 O ATOM 406 CB LEU A 106 174.379 -3.358 1.644 1.00 0.00 C ATOM 407 CG LEU A 106 175.135 -2.040 1.463 1.00 0.00 C ATOM 408 CD1 LEU A 106 175.893 -1.707 2.749 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.130 -2.179 0.309 1.00 0.00 C ATOM 0 H LEU A 106 172.925 -5.259 1.720 1.00 0.00 H new ATOM 0 HA LEU A 106 172.488 -2.517 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.085 -3.480 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 106 175.028 -4.198 1.396 1.00 0.00 H new ATOM 0 HG LEU A 106 174.427 -1.242 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 106 176.432 -0.768 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 106 175.186 -1.610 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 106 176.602 -2.505 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 106 176.669 -1.241 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 106 176.838 -2.977 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 106 175.592 -2.419 -0.608 1.00 0.00 H new ATOM 421 N ARG A 107 174.202 -4.303 -1.234 1.00 0.00 N ATOM 422 CA ARG A 107 174.627 -4.281 -2.667 1.00 0.00 C ATOM 423 C ARG A 107 173.404 -4.254 -3.584 1.00 0.00 C ATOM 424 O ARG A 107 173.443 -3.689 -4.661 1.00 0.00 O ATOM 425 CB ARG A 107 175.446 -5.556 -2.880 1.00 0.00 C ATOM 426 CG ARG A 107 176.119 -5.512 -4.255 1.00 0.00 C ATOM 427 CD ARG A 107 176.206 -6.930 -4.826 1.00 0.00 C ATOM 428 NE ARG A 107 177.094 -7.678 -3.891 1.00 0.00 N ATOM 429 CZ ARG A 107 177.469 -8.894 -4.180 1.00 0.00 C ATOM 430 NH1 ARG A 107 176.606 -9.872 -4.125 1.00 0.00 N ATOM 431 NH2 ARG A 107 178.705 -9.132 -4.524 1.00 0.00 N ATOM 0 H ARG A 107 174.465 -5.141 -0.716 1.00 0.00 H new ATOM 0 HA ARG A 107 175.214 -3.393 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 107 176.200 -5.651 -2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.800 -6.431 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 107 175.551 -4.871 -4.929 1.00 0.00 H new ATOM 0 HG3 ARG A 107 177.116 -5.081 -4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 107 175.220 -7.391 -4.885 1.00 0.00 H new ATOM 0 HD3 ARG A 107 176.616 -6.923 -5.836 1.00 0.00 H new ATOM 0 HE ARG A 107 177.408 -7.239 -3.025 1.00 0.00 H new ATOM 0 HH11 ARG A 107 175.640 -9.685 -3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 107 176.898 -10.823 -4.351 1.00 0.00 H new ATOM 0 HH21 ARG A 107 179.379 -8.367 -4.567 1.00 0.00 H new ATOM 0 HH22 ARG A 107 178.998 -10.083 -4.750 1.00 0.00 H new ATOM 445 N TYR A 108 172.318 -4.867 -3.170 1.00 0.00 N ATOM 446 CA TYR A 108 171.100 -4.875 -4.034 1.00 0.00 C ATOM 447 C TYR A 108 170.545 -3.456 -4.173 1.00 0.00 C ATOM 448 O TYR A 108 170.241 -3.011 -5.264 1.00 0.00 O ATOM 449 CB TYR A 108 170.098 -5.799 -3.338 1.00 0.00 C ATOM 450 CG TYR A 108 168.856 -5.927 -4.187 1.00 0.00 C ATOM 451 CD1 TYR A 108 167.794 -5.031 -4.013 1.00 0.00 C ATOM 452 CD2 TYR A 108 168.766 -6.941 -5.148 1.00 0.00 C ATOM 453 CE1 TYR A 108 166.641 -5.149 -4.800 1.00 0.00 C ATOM 454 CE2 TYR A 108 167.614 -7.059 -5.935 1.00 0.00 C ATOM 455 CZ TYR A 108 166.551 -6.163 -5.761 1.00 0.00 C ATOM 456 OH TYR A 108 165.416 -6.280 -6.537 1.00 0.00 O ATOM 0 H TYR A 108 172.226 -5.356 -2.280 1.00 0.00 H new ATOM 0 HA TYR A 108 171.316 -5.227 -5.043 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.544 -6.781 -3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.841 -5.401 -2.357 1.00 0.00 H new ATOM 0 HD1 TYR A 108 167.864 -4.249 -3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 108 169.585 -7.632 -5.282 1.00 0.00 H new ATOM 0 HE1 TYR A 108 165.822 -4.458 -4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 108 167.545 -7.841 -6.677 1.00 0.00 H new ATOM 0 HH TYR A 108 165.518 -7.035 -7.154 1.00 0.00 H new ATOM 466 N MET A 109 170.403 -2.742 -3.078 1.00 0.00 N ATOM 467 CA MET A 109 169.857 -1.356 -3.168 1.00 0.00 C ATOM 468 C MET A 109 170.799 -0.480 -3.980 1.00 0.00 C ATOM 469 O MET A 109 170.359 0.321 -4.784 1.00 0.00 O ATOM 470 CB MET A 109 169.758 -0.857 -1.729 1.00 0.00 C ATOM 471 CG MET A 109 168.399 -1.257 -1.138 1.00 0.00 C ATOM 472 SD MET A 109 167.503 0.217 -0.578 1.00 0.00 S ATOM 473 CE MET A 109 167.564 1.132 -2.143 1.00 0.00 C ATOM 0 H MET A 109 170.640 -3.059 -2.138 1.00 0.00 H new ATOM 0 HA MET A 109 168.886 -1.329 -3.663 1.00 0.00 H new ATOM 0 HB2 MET A 109 170.565 -1.280 -1.130 1.00 0.00 H new ATOM 0 HB3 MET A 109 169.874 0.226 -1.700 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.810 -1.787 -1.887 1.00 0.00 H new ATOM 0 HG3 MET A 109 168.545 -1.942 -0.303 1.00 0.00 H new ATOM 0 HE1 MET A 109 166.694 1.785 -2.217 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.473 1.733 -2.178 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.561 0.429 -2.976 1.00 0.00 H new ATOM 483 N LEU A 110 172.090 -0.627 -3.801 1.00 0.00 N ATOM 484 CA LEU A 110 173.048 0.201 -4.600 1.00 0.00 C ATOM 485 C LEU A 110 172.757 -0.025 -6.087 1.00 0.00 C ATOM 486 O LEU A 110 172.657 0.903 -6.864 1.00 0.00 O ATOM 487 CB LEU A 110 174.440 -0.318 -4.226 1.00 0.00 C ATOM 488 CG LEU A 110 175.481 0.788 -4.430 1.00 0.00 C ATOM 489 CD1 LEU A 110 175.295 1.877 -3.370 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.885 0.191 -4.306 1.00 0.00 C ATOM 0 H LEU A 110 172.519 -1.278 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 110 172.967 1.270 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.447 -0.649 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.692 -1.184 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 110 175.354 1.225 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 110 176.038 2.661 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 110 174.295 2.303 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 110 175.420 1.444 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.628 0.975 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 110 177.008 -0.247 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 110 177.020 -0.581 -5.063 1.00 0.00 H new ATOM 502 N THR A 111 172.567 -1.264 -6.459 1.00 0.00 N ATOM 503 CA THR A 111 172.234 -1.588 -7.884 1.00 0.00 C ATOM 504 C THR A 111 170.917 -0.904 -8.271 1.00 0.00 C ATOM 505 O THR A 111 170.718 -0.498 -9.400 1.00 0.00 O ATOM 506 CB THR A 111 172.084 -3.111 -7.926 1.00 0.00 C ATOM 507 OG1 THR A 111 173.263 -3.715 -7.413 1.00 0.00 O ATOM 508 CG2 THR A 111 171.862 -3.563 -9.370 1.00 0.00 C ATOM 0 H THR A 111 172.628 -2.070 -5.837 1.00 0.00 H new ATOM 0 HA THR A 111 172.997 -1.242 -8.581 1.00 0.00 H new ATOM 0 HB THR A 111 171.229 -3.410 -7.319 1.00 0.00 H new ATOM 0 HG1 THR A 111 173.192 -3.796 -6.439 1.00 0.00 H new ATOM 0 HG21 THR A 111 171.755 -4.647 -9.400 1.00 0.00 H new ATOM 0 HG22 THR A 111 170.957 -3.099 -9.762 1.00 0.00 H new ATOM 0 HG23 THR A 111 172.715 -3.266 -9.980 1.00 0.00 H new ATOM 516 N GLY A 112 170.039 -0.748 -7.320 1.00 0.00 N ATOM 517 CA GLY A 112 168.738 -0.058 -7.566 1.00 0.00 C ATOM 518 C GLY A 112 168.906 1.462 -7.396 1.00 0.00 C ATOM 519 O GLY A 112 168.041 2.238 -7.750 1.00 0.00 O ATOM 0 H GLY A 112 170.170 -1.076 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.383 -0.282 -8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 112 167.984 -0.428 -6.872 1.00 0.00 H new ATOM 523 N LEU A 113 170.002 1.882 -6.815 1.00 0.00 N ATOM 524 CA LEU A 113 170.254 3.330 -6.553 1.00 0.00 C ATOM 525 C LEU A 113 171.090 3.984 -7.668 1.00 0.00 C ATOM 526 O LEU A 113 171.525 5.111 -7.531 1.00 0.00 O ATOM 527 CB LEU A 113 171.041 3.308 -5.239 1.00 0.00 C ATOM 528 CG LEU A 113 171.219 4.718 -4.666 1.00 0.00 C ATOM 529 CD1 LEU A 113 169.855 5.381 -4.451 1.00 0.00 C ATOM 530 CD2 LEU A 113 171.941 4.610 -3.321 1.00 0.00 C ATOM 0 H LEU A 113 170.751 1.264 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 113 169.332 3.911 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 113 170.521 2.682 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 113 172.019 2.857 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 113 171.798 5.322 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 113 169.997 6.382 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 113 169.329 5.448 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 113 169.267 4.785 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 113 172.076 5.606 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 113 171.347 4.004 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 113 172.915 4.143 -3.467 1.00 0.00 H new ATOM 542 N GLY A 114 171.336 3.298 -8.760 1.00 0.00 N ATOM 543 CA GLY A 114 172.165 3.898 -9.856 1.00 0.00 C ATOM 544 C GLY A 114 173.570 3.290 -9.809 1.00 0.00 C ATOM 545 O GLY A 114 174.551 3.929 -10.135 1.00 0.00 O ATOM 0 H GLY A 114 171.000 2.352 -8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 114 171.704 3.706 -10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.219 4.980 -9.738 1.00 0.00 H new ATOM 549 N GLU A 115 173.652 2.045 -9.430 1.00 0.00 N ATOM 550 CA GLU A 115 174.974 1.349 -9.385 1.00 0.00 C ATOM 551 C GLU A 115 175.022 0.211 -10.403 1.00 0.00 C ATOM 552 O GLU A 115 174.249 -0.725 -10.329 1.00 0.00 O ATOM 553 CB GLU A 115 175.100 0.794 -7.970 1.00 0.00 C ATOM 554 CG GLU A 115 176.562 0.440 -7.692 1.00 0.00 C ATOM 555 CD GLU A 115 177.385 1.724 -7.580 1.00 0.00 C ATOM 556 OE1 GLU A 115 176.955 2.621 -6.875 1.00 0.00 O ATOM 557 OE2 GLU A 115 178.433 1.788 -8.202 1.00 0.00 O ATOM 0 H GLU A 115 172.856 1.474 -9.147 1.00 0.00 H new ATOM 0 HA GLU A 115 175.789 2.030 -9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.748 1.529 -7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 115 174.472 -0.090 -7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 115 176.639 -0.136 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 115 176.954 -0.187 -8.493 1.00 0.00 H new ATOM 564 N LYS A 116 175.944 0.262 -11.330 1.00 0.00 N ATOM 565 CA LYS A 116 176.060 -0.844 -12.322 1.00 0.00 C ATOM 566 C LYS A 116 177.465 -1.436 -12.252 1.00 0.00 C ATOM 567 O LYS A 116 178.199 -1.473 -13.221 1.00 0.00 O ATOM 568 CB LYS A 116 175.743 -0.249 -13.694 1.00 0.00 C ATOM 569 CG LYS A 116 174.233 -0.042 -13.824 1.00 0.00 C ATOM 570 CD LYS A 116 173.860 0.088 -15.303 1.00 0.00 C ATOM 571 CE LYS A 116 174.206 1.494 -15.798 1.00 0.00 C ATOM 572 NZ LYS A 116 175.519 1.346 -16.486 1.00 0.00 N ATOM 0 H LYS A 116 176.618 1.019 -11.441 1.00 0.00 H new ATOM 0 HA LYS A 116 175.364 -1.658 -12.118 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.263 0.701 -13.819 1.00 0.00 H new ATOM 0 HB3 LYS A 116 176.099 -0.914 -14.481 1.00 0.00 H new ATOM 0 HG2 LYS A 116 173.700 -0.881 -13.376 1.00 0.00 H new ATOM 0 HG3 LYS A 116 173.930 0.854 -13.282 1.00 0.00 H new ATOM 0 HD2 LYS A 116 174.396 -0.657 -15.890 1.00 0.00 H new ATOM 0 HD3 LYS A 116 172.796 -0.104 -15.438 1.00 0.00 H new ATOM 0 HE2 LYS A 116 173.443 1.872 -16.479 1.00 0.00 H new ATOM 0 HE3 LYS A 116 174.271 2.200 -14.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 176.169 2.089 -16.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 175.922 0.412 -16.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 175.384 1.433 -17.514 1.00 0.00 H new ATOM 586 N LEU A 117 177.815 -1.932 -11.097 1.00 0.00 N ATOM 587 CA LEU A 117 179.139 -2.577 -10.890 1.00 0.00 C ATOM 588 C LEU A 117 178.993 -4.076 -11.153 1.00 0.00 C ATOM 589 O LEU A 117 177.944 -4.647 -10.917 1.00 0.00 O ATOM 590 CB LEU A 117 179.497 -2.310 -9.428 1.00 0.00 C ATOM 591 CG LEU A 117 179.583 -0.802 -9.186 1.00 0.00 C ATOM 592 CD1 LEU A 117 179.800 -0.535 -7.696 1.00 0.00 C ATOM 593 CD2 LEU A 117 180.756 -0.224 -9.981 1.00 0.00 C ATOM 0 H LEU A 117 177.221 -1.916 -10.268 1.00 0.00 H new ATOM 0 HA LEU A 117 179.913 -2.194 -11.555 1.00 0.00 H new ATOM 0 HB2 LEU A 117 178.746 -2.751 -8.773 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.449 -2.782 -9.184 1.00 0.00 H new ATOM 0 HG LEU A 117 178.655 -0.330 -9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 117 179.861 0.540 -7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 117 178.966 -0.947 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.728 -1.008 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 117 180.818 0.851 -9.809 1.00 0.00 H new ATOM 0 HD22 LEU A 117 181.683 -0.697 -9.657 1.00 0.00 H new ATOM 0 HD23 LEU A 117 180.604 -0.413 -11.044 1.00 0.00 H new ATOM 605 N THR A 118 180.028 -4.723 -11.615 1.00 0.00 N ATOM 606 CA THR A 118 179.942 -6.191 -11.865 1.00 0.00 C ATOM 607 C THR A 118 180.812 -6.938 -10.853 1.00 0.00 C ATOM 608 O THR A 118 181.843 -6.436 -10.454 1.00 0.00 O ATOM 609 CB THR A 118 180.475 -6.387 -13.282 1.00 0.00 C ATOM 610 OG1 THR A 118 179.940 -5.383 -14.133 1.00 0.00 O ATOM 611 CG2 THR A 118 180.067 -7.768 -13.798 1.00 0.00 C ATOM 0 H THR A 118 180.930 -4.299 -11.830 1.00 0.00 H new ATOM 0 HA THR A 118 178.926 -6.573 -11.762 1.00 0.00 H new ATOM 0 HB THR A 118 181.562 -6.313 -13.273 1.00 0.00 H new ATOM 0 HG1 THR A 118 180.284 -5.508 -15.042 1.00 0.00 H new ATOM 0 HG21 THR A 118 180.449 -7.906 -14.810 1.00 0.00 H new ATOM 0 HG22 THR A 118 180.481 -8.537 -13.146 1.00 0.00 H new ATOM 0 HG23 THR A 118 178.980 -7.847 -13.806 1.00 0.00 H new ATOM 619 N ASP A 119 180.399 -8.106 -10.397 1.00 0.00 N ATOM 620 CA ASP A 119 181.196 -8.874 -9.367 1.00 0.00 C ATOM 621 C ASP A 119 182.714 -8.814 -9.615 1.00 0.00 C ATOM 622 O ASP A 119 183.498 -8.885 -8.688 1.00 0.00 O ATOM 623 CB ASP A 119 180.705 -10.318 -9.500 1.00 0.00 C ATOM 624 CG ASP A 119 181.250 -11.153 -8.339 1.00 0.00 C ATOM 625 OD1 ASP A 119 182.441 -11.074 -8.085 1.00 0.00 O ATOM 626 OD2 ASP A 119 180.466 -11.856 -7.723 1.00 0.00 O ATOM 0 H ASP A 119 179.538 -8.565 -10.695 1.00 0.00 H new ATOM 0 HA ASP A 119 181.048 -8.450 -8.374 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.615 -10.344 -9.500 1.00 0.00 H new ATOM 0 HB3 ASP A 119 181.034 -10.739 -10.450 1.00 0.00 H new ATOM 631 N ALA A 120 183.128 -8.642 -10.845 1.00 0.00 N ATOM 632 CA ALA A 120 184.589 -8.529 -11.137 1.00 0.00 C ATOM 633 C ALA A 120 185.152 -7.288 -10.432 1.00 0.00 C ATOM 634 O ALA A 120 186.126 -7.365 -9.707 1.00 0.00 O ATOM 635 CB ALA A 120 184.682 -8.359 -12.655 1.00 0.00 C ATOM 0 H ALA A 120 182.517 -8.575 -11.659 1.00 0.00 H new ATOM 0 HA ALA A 120 185.153 -9.395 -10.791 1.00 0.00 H new ATOM 0 HB1 ALA A 120 185.728 -8.269 -12.948 1.00 0.00 H new ATOM 0 HB2 ALA A 120 184.241 -9.227 -13.146 1.00 0.00 H new ATOM 0 HB3 ALA A 120 184.143 -7.460 -12.954 1.00 0.00 H new ATOM 641 N GLU A 121 184.536 -6.148 -10.635 1.00 0.00 N ATOM 642 CA GLU A 121 185.020 -4.896 -9.974 1.00 0.00 C ATOM 643 C GLU A 121 184.617 -4.865 -8.494 1.00 0.00 C ATOM 644 O GLU A 121 185.416 -4.557 -7.631 1.00 0.00 O ATOM 645 CB GLU A 121 184.340 -3.759 -10.739 1.00 0.00 C ATOM 646 CG GLU A 121 185.039 -3.560 -12.086 1.00 0.00 C ATOM 647 CD GLU A 121 184.356 -2.428 -12.854 1.00 0.00 C ATOM 648 OE1 GLU A 121 183.420 -2.715 -13.584 1.00 0.00 O ATOM 649 OE2 GLU A 121 184.779 -1.295 -12.702 1.00 0.00 O ATOM 0 H GLU A 121 183.717 -6.031 -11.232 1.00 0.00 H new ATOM 0 HA GLU A 121 186.107 -4.819 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.286 -3.991 -10.895 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.381 -2.839 -10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 121 186.092 -3.324 -11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 121 185.002 -4.482 -12.667 1.00 0.00 H new ATOM 656 N VAL A 122 183.380 -5.186 -8.196 1.00 0.00 N ATOM 657 CA VAL A 122 182.912 -5.180 -6.769 1.00 0.00 C ATOM 658 C VAL A 122 183.764 -6.128 -5.921 1.00 0.00 C ATOM 659 O VAL A 122 184.005 -5.867 -4.756 1.00 0.00 O ATOM 660 CB VAL A 122 181.453 -5.654 -6.801 1.00 0.00 C ATOM 661 CG1 VAL A 122 180.868 -5.611 -5.384 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.630 -4.735 -7.707 1.00 0.00 C ATOM 0 H VAL A 122 182.672 -5.453 -8.880 1.00 0.00 H new ATOM 0 HA VAL A 122 183.000 -4.188 -6.325 1.00 0.00 H new ATOM 0 HB VAL A 122 181.419 -6.674 -7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 122 179.832 -5.948 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.447 -6.264 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 122 180.909 -4.590 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.595 -5.075 -7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.669 -3.715 -7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 122 181.039 -4.759 -8.717 1.00 0.00 H new ATOM 672 N ASP A 123 184.233 -7.215 -6.485 1.00 0.00 N ATOM 673 CA ASP A 123 185.078 -8.153 -5.685 1.00 0.00 C ATOM 674 C ASP A 123 186.380 -7.443 -5.295 1.00 0.00 C ATOM 675 O ASP A 123 186.887 -7.615 -4.203 1.00 0.00 O ATOM 676 CB ASP A 123 185.346 -9.357 -6.591 1.00 0.00 C ATOM 677 CG ASP A 123 186.211 -10.377 -5.848 1.00 0.00 C ATOM 678 OD1 ASP A 123 187.368 -10.077 -5.602 1.00 0.00 O ATOM 679 OD2 ASP A 123 185.702 -11.442 -5.536 1.00 0.00 O ATOM 0 H ASP A 123 184.069 -7.490 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 123 184.593 -8.474 -4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.404 -9.815 -6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 123 185.849 -9.034 -7.502 1.00 0.00 H new ATOM 684 N GLU A 124 186.903 -6.629 -6.176 1.00 0.00 N ATOM 685 CA GLU A 124 188.158 -5.878 -5.860 1.00 0.00 C ATOM 686 C GLU A 124 187.913 -4.936 -4.677 1.00 0.00 C ATOM 687 O GLU A 124 188.684 -4.887 -3.743 1.00 0.00 O ATOM 688 CB GLU A 124 188.474 -5.072 -7.121 1.00 0.00 C ATOM 689 CG GLU A 124 188.740 -6.029 -8.284 1.00 0.00 C ATOM 690 CD GLU A 124 189.775 -5.413 -9.228 1.00 0.00 C ATOM 691 OE1 GLU A 124 190.715 -4.812 -8.733 1.00 0.00 O ATOM 692 OE2 GLU A 124 189.612 -5.554 -10.428 1.00 0.00 O ATOM 0 H GLU A 124 186.515 -6.451 -7.102 1.00 0.00 H new ATOM 0 HA GLU A 124 188.979 -6.541 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 124 187.641 -4.412 -7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.344 -4.438 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 124 189.101 -6.985 -7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 124 187.814 -6.229 -8.823 1.00 0.00 H new ATOM 699 N LEU A 125 186.844 -4.186 -4.721 1.00 0.00 N ATOM 700 CA LEU A 125 186.534 -3.234 -3.608 1.00 0.00 C ATOM 701 C LEU A 125 186.285 -3.989 -2.296 1.00 0.00 C ATOM 702 O LEU A 125 186.492 -3.467 -1.217 1.00 0.00 O ATOM 703 CB LEU A 125 185.248 -2.531 -4.053 1.00 0.00 C ATOM 704 CG LEU A 125 185.588 -1.322 -4.934 1.00 0.00 C ATOM 705 CD1 LEU A 125 186.367 -1.774 -6.174 1.00 0.00 C ATOM 706 CD2 LEU A 125 184.289 -0.653 -5.381 1.00 0.00 C ATOM 0 H LEU A 125 186.167 -4.190 -5.484 1.00 0.00 H new ATOM 0 HA LEU A 125 187.356 -2.542 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 125 184.616 -3.227 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 125 184.680 -2.207 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 125 186.199 -0.623 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 125 186.603 -0.907 -6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 125 187.292 -2.262 -5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 125 185.762 -2.475 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 125 184.520 0.208 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 125 183.690 -1.365 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 125 183.729 -0.324 -4.506 1.00 0.00 H new ATOM 718 N LEU A 126 185.813 -5.206 -2.391 1.00 0.00 N ATOM 719 CA LEU A 126 185.509 -6.004 -1.162 1.00 0.00 C ATOM 720 C LEU A 126 186.773 -6.623 -0.547 1.00 0.00 C ATOM 721 O LEU A 126 186.749 -7.092 0.575 1.00 0.00 O ATOM 722 CB LEU A 126 184.564 -7.109 -1.640 1.00 0.00 C ATOM 723 CG LEU A 126 183.163 -6.529 -1.850 1.00 0.00 C ATOM 724 CD1 LEU A 126 182.312 -7.521 -2.644 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.508 -6.273 -0.490 1.00 0.00 C ATOM 0 H LEU A 126 185.624 -5.685 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 126 185.075 -5.376 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.933 -7.541 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.529 -7.915 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 126 183.238 -5.592 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 126 181.315 -7.107 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.777 -7.705 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 126 182.237 -8.459 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.510 -5.860 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 126 182.434 -7.211 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 126 183.113 -5.566 0.078 1.00 0.00 H new ATOM 737 N LYS A 127 187.859 -6.671 -1.282 1.00 0.00 N ATOM 738 CA LYS A 127 189.101 -7.315 -0.743 1.00 0.00 C ATOM 739 C LYS A 127 189.559 -6.655 0.571 1.00 0.00 C ATOM 740 O LYS A 127 190.330 -7.225 1.321 1.00 0.00 O ATOM 741 CB LYS A 127 190.163 -7.130 -1.844 1.00 0.00 C ATOM 742 CG LYS A 127 190.577 -5.655 -1.965 1.00 0.00 C ATOM 743 CD LYS A 127 191.868 -5.418 -1.177 1.00 0.00 C ATOM 744 CE LYS A 127 192.721 -4.371 -1.896 1.00 0.00 C ATOM 745 NZ LYS A 127 194.001 -4.329 -1.136 1.00 0.00 N ATOM 0 H LYS A 127 187.940 -6.295 -2.227 1.00 0.00 H new ATOM 0 HA LYS A 127 188.931 -8.365 -0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 127 191.038 -7.740 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 127 189.769 -7.480 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 127 190.725 -5.393 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 127 189.784 -5.012 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 127 191.633 -5.080 -0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 127 192.424 -6.351 -1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 127 192.889 -4.646 -2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 127 192.231 -3.397 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 194.640 -3.632 -1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 193.811 -4.058 -0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 194.448 -5.268 -1.157 1.00 0.00 H new ATOM 759 N GLY A 128 189.099 -5.456 0.846 1.00 0.00 N ATOM 760 CA GLY A 128 189.516 -4.760 2.099 1.00 0.00 C ATOM 761 C GLY A 128 188.317 -4.572 3.039 1.00 0.00 C ATOM 762 O GLY A 128 188.487 -4.220 4.192 1.00 0.00 O ATOM 0 H GLY A 128 188.453 -4.932 0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.291 -5.338 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 128 189.949 -3.790 1.855 1.00 0.00 H new ATOM 766 N VAL A 129 187.110 -4.801 2.570 1.00 0.00 N ATOM 767 CA VAL A 129 185.919 -4.628 3.460 1.00 0.00 C ATOM 768 C VAL A 129 185.898 -5.729 4.524 1.00 0.00 C ATOM 769 O VAL A 129 186.033 -6.903 4.239 1.00 0.00 O ATOM 770 CB VAL A 129 184.696 -4.709 2.543 1.00 0.00 C ATOM 771 CG1 VAL A 129 183.418 -4.541 3.370 1.00 0.00 C ATOM 772 CG2 VAL A 129 184.770 -3.593 1.498 1.00 0.00 C ATOM 0 H VAL A 129 186.901 -5.098 1.617 1.00 0.00 H new ATOM 0 HA VAL A 129 185.937 -3.678 3.994 1.00 0.00 H new ATOM 0 HB VAL A 129 184.682 -5.679 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 129 182.550 -4.599 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 129 183.362 -5.332 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 129 183.432 -3.572 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 129 183.900 -3.649 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 129 184.785 -2.625 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 129 185.677 -3.709 0.905 1.00 0.00 H new ATOM 782 N GLU A 130 185.751 -5.328 5.758 1.00 0.00 N ATOM 783 CA GLU A 130 185.740 -6.297 6.892 1.00 0.00 C ATOM 784 C GLU A 130 184.327 -6.493 7.454 1.00 0.00 C ATOM 785 O GLU A 130 183.809 -5.657 8.168 1.00 0.00 O ATOM 786 CB GLU A 130 186.639 -5.654 7.949 1.00 0.00 C ATOM 787 CG GLU A 130 186.798 -6.606 9.137 1.00 0.00 C ATOM 788 CD GLU A 130 187.698 -5.962 10.193 1.00 0.00 C ATOM 789 OE1 GLU A 130 187.634 -4.752 10.341 1.00 0.00 O ATOM 790 OE2 GLU A 130 188.438 -6.689 10.836 1.00 0.00 O ATOM 0 H GLU A 130 185.636 -4.352 6.033 1.00 0.00 H new ATOM 0 HA GLU A 130 186.082 -7.284 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 130 187.615 -5.425 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 130 186.208 -4.710 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 130 185.822 -6.834 9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 130 187.229 -7.550 8.804 1.00 0.00 H new ATOM 797 N VAL A 131 183.726 -7.617 7.160 1.00 0.00 N ATOM 798 CA VAL A 131 182.365 -7.915 7.700 1.00 0.00 C ATOM 799 C VAL A 131 182.519 -8.612 9.055 1.00 0.00 C ATOM 800 O VAL A 131 183.577 -9.120 9.377 1.00 0.00 O ATOM 801 CB VAL A 131 181.682 -8.836 6.669 1.00 0.00 C ATOM 802 CG1 VAL A 131 181.674 -8.159 5.296 1.00 0.00 C ATOM 803 CG2 VAL A 131 182.425 -10.177 6.565 1.00 0.00 C ATOM 0 H VAL A 131 184.122 -8.345 6.566 1.00 0.00 H new ATOM 0 HA VAL A 131 181.766 -7.017 7.853 1.00 0.00 H new ATOM 0 HB VAL A 131 180.659 -9.021 6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 131 181.191 -8.813 4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 131 181.127 -7.218 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 131 182.699 -7.963 4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 131 181.928 -10.813 5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 131 183.454 -10.000 6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 131 182.421 -10.671 7.536 1.00 0.00 H new ATOM 813 N ASP A 132 181.485 -8.628 9.857 1.00 0.00 N ATOM 814 CA ASP A 132 181.589 -9.278 11.196 1.00 0.00 C ATOM 815 C ASP A 132 181.133 -10.737 11.142 1.00 0.00 C ATOM 816 O ASP A 132 180.886 -11.292 10.089 1.00 0.00 O ATOM 817 CB ASP A 132 180.668 -8.463 12.110 1.00 0.00 C ATOM 818 CG ASP A 132 179.228 -8.500 11.587 1.00 0.00 C ATOM 819 OD1 ASP A 132 179.014 -8.071 10.466 1.00 0.00 O ATOM 820 OD2 ASP A 132 178.365 -8.958 12.318 1.00 0.00 O ATOM 0 H ASP A 132 180.575 -8.220 9.642 1.00 0.00 H new ATOM 0 HA ASP A 132 182.619 -9.293 11.553 1.00 0.00 H new ATOM 0 HB2 ASP A 132 180.704 -8.863 13.123 1.00 0.00 H new ATOM 0 HB3 ASP A 132 181.017 -7.432 12.162 1.00 0.00 H new ATOM 825 N SER A 133 181.028 -11.351 12.289 1.00 0.00 N ATOM 826 CA SER A 133 180.596 -12.783 12.357 1.00 0.00 C ATOM 827 C SER A 133 179.092 -12.933 12.056 1.00 0.00 C ATOM 828 O SER A 133 178.577 -14.035 12.030 1.00 0.00 O ATOM 829 CB SER A 133 180.906 -13.229 13.789 1.00 0.00 C ATOM 830 OG SER A 133 181.787 -14.343 13.752 1.00 0.00 O ATOM 0 H SER A 133 181.224 -10.920 13.193 1.00 0.00 H new ATOM 0 HA SER A 133 181.114 -13.390 11.615 1.00 0.00 H new ATOM 0 HB2 SER A 133 181.360 -12.410 14.347 1.00 0.00 H new ATOM 0 HB3 SER A 133 179.985 -13.496 14.307 1.00 0.00 H new ATOM 0 HG SER A 133 181.989 -14.631 14.667 1.00 0.00 H new ATOM 836 N ASN A 134 178.389 -11.851 11.807 1.00 0.00 N ATOM 837 CA ASN A 134 176.936 -11.954 11.486 1.00 0.00 C ATOM 838 C ASN A 134 176.691 -11.645 10.001 1.00 0.00 C ATOM 839 O ASN A 134 175.609 -11.865 9.491 1.00 0.00 O ATOM 840 CB ASN A 134 176.255 -10.912 12.376 1.00 0.00 C ATOM 841 CG ASN A 134 174.762 -11.231 12.488 1.00 0.00 C ATOM 842 OD1 ASN A 134 174.202 -11.889 11.633 1.00 0.00 O ATOM 843 ND2 ASN A 134 174.089 -10.791 13.516 1.00 0.00 N ATOM 0 H ASN A 134 178.763 -10.902 11.813 1.00 0.00 H new ATOM 0 HA ASN A 134 176.547 -12.956 11.665 1.00 0.00 H new ATOM 0 HB2 ASN A 134 176.712 -10.909 13.366 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.394 -9.915 11.958 1.00 0.00 H new ATOM 0 HD21 ASN A 134 173.094 -10.999 13.601 1.00 0.00 H new ATOM 0 HD22 ASN A 134 174.558 -10.239 14.234 1.00 0.00 H new ATOM 850 N GLY A 135 177.683 -11.134 9.304 1.00 0.00 N ATOM 851 CA GLY A 135 177.499 -10.811 7.858 1.00 0.00 C ATOM 852 C GLY A 135 176.909 -9.405 7.712 1.00 0.00 C ATOM 853 O GLY A 135 176.207 -9.112 6.763 1.00 0.00 O ATOM 0 H GLY A 135 178.609 -10.929 9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.455 -10.870 7.338 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.838 -11.543 7.394 1.00 0.00 H new ATOM 857 N GLU A 136 177.183 -8.540 8.658 1.00 0.00 N ATOM 858 CA GLU A 136 176.635 -7.153 8.597 1.00 0.00 C ATOM 859 C GLU A 136 177.741 -6.139 8.293 1.00 0.00 C ATOM 860 O GLU A 136 178.832 -6.208 8.825 1.00 0.00 O ATOM 861 CB GLU A 136 176.045 -6.902 9.985 1.00 0.00 C ATOM 862 CG GLU A 136 174.792 -7.761 10.171 1.00 0.00 C ATOM 863 CD GLU A 136 174.201 -7.511 11.559 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.666 -8.134 12.500 1.00 0.00 O ATOM 865 OE2 GLU A 136 173.294 -6.701 11.659 1.00 0.00 O ATOM 0 H GLU A 136 177.765 -8.738 9.472 1.00 0.00 H new ATOM 0 HA GLU A 136 175.893 -7.045 7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.780 -7.142 10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.796 -5.847 10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 136 174.057 -7.521 9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 136 175.041 -8.816 10.055 1.00 0.00 H new ATOM 872 N ILE A 137 177.446 -5.194 7.439 1.00 0.00 N ATOM 873 CA ILE A 137 178.449 -4.150 7.079 1.00 0.00 C ATOM 874 C ILE A 137 177.817 -2.762 7.231 1.00 0.00 C ATOM 875 O ILE A 137 176.666 -2.554 6.896 1.00 0.00 O ATOM 876 CB ILE A 137 178.820 -4.434 5.620 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.485 -5.813 5.522 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.800 -3.370 5.114 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.419 -6.905 5.393 1.00 0.00 C ATOM 0 H ILE A 137 176.544 -5.101 6.972 1.00 0.00 H new ATOM 0 HA ILE A 137 179.331 -4.171 7.719 1.00 0.00 H new ATOM 0 HB ILE A 137 177.915 -4.413 5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 137 180.153 -5.843 4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 137 180.096 -5.994 6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 137 180.059 -3.578 4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 137 179.336 -2.386 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.703 -3.388 5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 137 178.903 -7.879 5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 137 177.769 -6.884 6.267 1.00 0.00 H new ATOM 0 HD13 ILE A 137 177.826 -6.730 4.495 1.00 0.00 H new ATOM 891 N ASP A 138 178.565 -1.821 7.739 1.00 0.00 N ATOM 892 CA ASP A 138 178.015 -0.442 7.926 1.00 0.00 C ATOM 893 C ASP A 138 177.802 0.222 6.561 1.00 0.00 C ATOM 894 O ASP A 138 178.749 0.557 5.874 1.00 0.00 O ATOM 895 CB ASP A 138 179.082 0.310 8.724 1.00 0.00 C ATOM 896 CG ASP A 138 178.524 1.659 9.185 1.00 0.00 C ATOM 897 OD1 ASP A 138 177.720 2.225 8.462 1.00 0.00 O ATOM 898 OD2 ASP A 138 178.915 2.105 10.251 1.00 0.00 O ATOM 0 H ASP A 138 179.534 -1.944 8.034 1.00 0.00 H new ATOM 0 HA ASP A 138 177.053 -0.445 8.439 1.00 0.00 H new ATOM 0 HB2 ASP A 138 179.389 -0.281 9.586 1.00 0.00 H new ATOM 0 HB3 ASP A 138 179.969 0.463 8.110 1.00 0.00 H new ATOM 903 N TYR A 139 176.570 0.387 6.152 1.00 0.00 N ATOM 904 CA TYR A 139 176.293 1.002 4.816 1.00 0.00 C ATOM 905 C TYR A 139 176.852 2.428 4.716 1.00 0.00 C ATOM 906 O TYR A 139 177.190 2.885 3.642 1.00 0.00 O ATOM 907 CB TYR A 139 174.760 0.998 4.672 1.00 0.00 C ATOM 908 CG TYR A 139 174.115 1.924 5.679 1.00 0.00 C ATOM 909 CD1 TYR A 139 173.889 3.265 5.347 1.00 0.00 C ATOM 910 CD2 TYR A 139 173.734 1.439 6.932 1.00 0.00 C ATOM 911 CE1 TYR A 139 173.280 4.122 6.272 1.00 0.00 C ATOM 912 CE2 TYR A 139 173.128 2.294 7.858 1.00 0.00 C ATOM 913 CZ TYR A 139 172.900 3.636 7.529 1.00 0.00 C ATOM 914 OH TYR A 139 172.299 4.478 8.441 1.00 0.00 O ATOM 0 H TYR A 139 175.742 0.122 6.685 1.00 0.00 H new ATOM 0 HA TYR A 139 176.779 0.441 4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.486 1.306 3.663 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.381 -0.015 4.810 1.00 0.00 H new ATOM 0 HD1 TYR A 139 174.184 3.639 4.378 1.00 0.00 H new ATOM 0 HD2 TYR A 139 173.907 0.404 7.186 1.00 0.00 H new ATOM 0 HE1 TYR A 139 173.104 5.156 6.016 1.00 0.00 H new ATOM 0 HE2 TYR A 139 172.836 1.919 8.828 1.00 0.00 H new ATOM 0 HH TYR A 139 172.098 3.982 9.262 1.00 0.00 H new ATOM 924 N LYS A 140 176.934 3.141 5.815 1.00 0.00 N ATOM 925 CA LYS A 140 177.454 4.543 5.749 1.00 0.00 C ATOM 926 C LYS A 140 178.947 4.548 5.419 1.00 0.00 C ATOM 927 O LYS A 140 179.431 5.380 4.675 1.00 0.00 O ATOM 928 CB LYS A 140 177.225 5.133 7.143 1.00 0.00 C ATOM 929 CG LYS A 140 175.745 5.455 7.337 1.00 0.00 C ATOM 930 CD LYS A 140 175.605 6.615 8.326 1.00 0.00 C ATOM 931 CE LYS A 140 174.128 6.975 8.492 1.00 0.00 C ATOM 932 NZ LYS A 140 174.127 8.237 9.284 1.00 0.00 N ATOM 0 H LYS A 140 176.667 2.817 6.744 1.00 0.00 H new ATOM 0 HA LYS A 140 176.950 5.119 4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 140 177.555 4.426 7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 140 177.822 6.037 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 140 175.290 5.719 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 140 175.216 4.578 7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 140 176.032 6.338 9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 140 176.162 7.481 7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 140 173.645 7.115 7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 140 173.584 6.184 9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 173.147 8.548 9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 174.588 8.071 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 174.646 8.973 8.764 1.00 0.00 H new ATOM 946 N LYS A 141 179.679 3.629 5.995 1.00 0.00 N ATOM 947 CA LYS A 141 181.152 3.571 5.756 1.00 0.00 C ATOM 948 C LYS A 141 181.471 3.196 4.306 1.00 0.00 C ATOM 949 O LYS A 141 182.352 3.769 3.692 1.00 0.00 O ATOM 950 CB LYS A 141 181.673 2.495 6.711 1.00 0.00 C ATOM 951 CG LYS A 141 181.580 3.005 8.150 1.00 0.00 C ATOM 952 CD LYS A 141 182.171 1.966 9.104 1.00 0.00 C ATOM 953 CE LYS A 141 182.076 2.479 10.542 1.00 0.00 C ATOM 954 NZ LYS A 141 182.511 1.333 11.388 1.00 0.00 N ATOM 0 H LYS A 141 179.317 2.912 6.624 1.00 0.00 H new ATOM 0 HA LYS A 141 181.619 4.541 5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 141 181.090 1.581 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.706 2.246 6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 141 182.117 3.949 8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 141 180.540 3.202 8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 141 181.635 1.022 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 141 183.211 1.770 8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 141 182.716 3.348 10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 141 181.059 2.786 10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 182.473 1.607 12.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 181.879 0.523 11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 183.485 1.067 11.139 1.00 0.00 H new ATOM 968 N PHE A 142 180.781 2.222 3.763 1.00 0.00 N ATOM 969 CA PHE A 142 181.071 1.793 2.361 1.00 0.00 C ATOM 970 C PHE A 142 180.618 2.866 1.376 1.00 0.00 C ATOM 971 O PHE A 142 181.169 3.006 0.304 1.00 0.00 O ATOM 972 CB PHE A 142 180.298 0.491 2.147 1.00 0.00 C ATOM 973 CG PHE A 142 180.836 -0.226 0.931 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.191 -0.564 0.868 1.00 0.00 C ATOM 975 CD2 PHE A 142 179.978 -0.561 -0.125 1.00 0.00 C ATOM 976 CE1 PHE A 142 182.694 -1.237 -0.252 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.482 -1.237 -1.246 1.00 0.00 C ATOM 978 CZ PHE A 142 181.839 -1.574 -1.308 1.00 0.00 C ATOM 0 H PHE A 142 180.033 1.708 4.229 1.00 0.00 H new ATOM 0 HA PHE A 142 182.138 1.644 2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 142 180.389 -0.146 3.027 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.237 0.704 2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 142 182.850 -0.306 1.684 1.00 0.00 H new ATOM 0 HD2 PHE A 142 178.931 -0.299 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 142 183.741 -1.496 -0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 142 179.823 -1.497 -2.061 1.00 0.00 H new ATOM 0 HZ PHE A 142 182.227 -2.094 -2.171 1.00 0.00 H new ATOM 988 N ILE A 143 179.630 3.636 1.740 1.00 0.00 N ATOM 989 CA ILE A 143 179.142 4.722 0.842 1.00 0.00 C ATOM 990 C ILE A 143 180.066 5.944 0.958 1.00 0.00 C ATOM 991 O ILE A 143 180.523 6.482 -0.033 1.00 0.00 O ATOM 992 CB ILE A 143 177.722 5.028 1.355 1.00 0.00 C ATOM 993 CG1 ILE A 143 176.785 3.864 0.993 1.00 0.00 C ATOM 994 CG2 ILE A 143 177.187 6.331 0.750 1.00 0.00 C ATOM 995 CD1 ILE A 143 176.677 3.713 -0.530 1.00 0.00 C ATOM 0 H ILE A 143 179.135 3.559 2.629 1.00 0.00 H new ATOM 0 HA ILE A 143 179.135 4.445 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 143 177.763 5.147 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 143 177.160 2.939 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 143 175.797 4.040 1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 143 176.183 6.523 1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 143 177.843 7.157 1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 143 177.154 6.241 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 143 176.010 2.884 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 143 176.280 4.633 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 143 177.664 3.514 -0.947 1.00 0.00 H new ATOM 1007 N GLU A 144 180.338 6.382 2.160 1.00 0.00 N ATOM 1008 CA GLU A 144 181.228 7.569 2.349 1.00 0.00 C ATOM 1009 C GLU A 144 182.628 7.292 1.792 1.00 0.00 C ATOM 1010 O GLU A 144 183.315 8.202 1.367 1.00 0.00 O ATOM 1011 CB GLU A 144 181.295 7.786 3.862 1.00 0.00 C ATOM 1012 CG GLU A 144 179.942 8.291 4.367 1.00 0.00 C ATOM 1013 CD GLU A 144 180.008 8.508 5.879 1.00 0.00 C ATOM 1014 OE1 GLU A 144 179.846 7.540 6.604 1.00 0.00 O ATOM 1015 OE2 GLU A 144 180.222 9.637 6.287 1.00 0.00 O ATOM 0 H GLU A 144 179.982 5.968 3.022 1.00 0.00 H new ATOM 0 HA GLU A 144 180.847 8.445 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 144 181.557 6.854 4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 144 182.077 8.507 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 144 179.681 9.223 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 144 179.161 7.570 4.127 1.00 0.00 H new ATOM 1022 N ASP A 145 183.060 6.053 1.784 1.00 0.00 N ATOM 1023 CA ASP A 145 184.421 5.746 1.244 1.00 0.00 C ATOM 1024 C ASP A 145 184.365 5.478 -0.268 1.00 0.00 C ATOM 1025 O ASP A 145 185.381 5.503 -0.938 1.00 0.00 O ATOM 1026 CB ASP A 145 184.919 4.524 2.016 1.00 0.00 C ATOM 1027 CG ASP A 145 186.432 4.389 1.841 1.00 0.00 C ATOM 1028 OD1 ASP A 145 186.855 4.075 0.740 1.00 0.00 O ATOM 1029 OD2 ASP A 145 187.142 4.604 2.809 1.00 0.00 O ATOM 0 H ASP A 145 182.534 5.248 2.125 1.00 0.00 H new ATOM 0 HA ASP A 145 185.101 6.588 1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 145 184.672 4.624 3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 145 184.419 3.625 1.655 1.00 0.00 H new ATOM 1034 N VAL A 146 183.193 5.274 -0.825 1.00 0.00 N ATOM 1035 CA VAL A 146 183.092 5.069 -2.303 1.00 0.00 C ATOM 1036 C VAL A 146 182.749 6.426 -2.937 1.00 0.00 C ATOM 1037 O VAL A 146 183.246 6.786 -3.987 1.00 0.00 O ATOM 1038 CB VAL A 146 181.970 4.033 -2.494 1.00 0.00 C ATOM 1039 CG1 VAL A 146 181.550 3.959 -3.968 1.00 0.00 C ATOM 1040 CG2 VAL A 146 182.482 2.659 -2.057 1.00 0.00 C ATOM 0 H VAL A 146 182.307 5.241 -0.321 1.00 0.00 H new ATOM 0 HA VAL A 146 184.009 4.709 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 146 181.110 4.330 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 146 180.756 3.221 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 146 181.189 4.935 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 146 182.407 3.668 -4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 146 181.693 1.918 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 146 183.345 2.383 -2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 146 182.773 2.696 -1.007 1.00 0.00 H new ATOM 1050 N LEU A 147 181.914 7.178 -2.272 1.00 0.00 N ATOM 1051 CA LEU A 147 181.524 8.533 -2.772 1.00 0.00 C ATOM 1052 C LEU A 147 182.750 9.437 -2.959 1.00 0.00 C ATOM 1053 O LEU A 147 182.692 10.424 -3.668 1.00 0.00 O ATOM 1054 CB LEU A 147 180.602 9.108 -1.694 1.00 0.00 C ATOM 1055 CG LEU A 147 179.146 8.813 -2.056 1.00 0.00 C ATOM 1056 CD1 LEU A 147 178.298 8.785 -0.783 1.00 0.00 C ATOM 1057 CD2 LEU A 147 178.623 9.905 -2.991 1.00 0.00 C ATOM 0 H LEU A 147 181.478 6.909 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 147 181.038 8.470 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 147 180.842 8.671 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 147 180.755 10.184 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 147 179.085 7.846 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 147 177.260 8.575 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 147 178.670 8.008 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 147 178.359 9.752 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 147 177.585 9.696 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 147 178.685 10.872 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 147 179.226 9.926 -3.899 1.00 0.00 H new ATOM 1069 N ARG A 148 183.856 9.111 -2.334 1.00 0.00 N ATOM 1070 CA ARG A 148 185.083 9.956 -2.484 1.00 0.00 C ATOM 1071 C ARG A 148 185.508 10.017 -3.955 1.00 0.00 C ATOM 1072 O ARG A 148 185.451 9.032 -4.667 1.00 0.00 O ATOM 1073 CB ARG A 148 186.163 9.261 -1.652 1.00 0.00 C ATOM 1074 CG ARG A 148 185.887 9.490 -0.165 1.00 0.00 C ATOM 1075 CD ARG A 148 186.995 8.841 0.667 1.00 0.00 C ATOM 1076 NE ARG A 148 186.523 8.938 2.077 1.00 0.00 N ATOM 1077 CZ ARG A 148 186.933 9.918 2.836 1.00 0.00 C ATOM 1078 NH1 ARG A 148 186.504 11.132 2.624 1.00 0.00 N ATOM 1079 NH2 ARG A 148 187.771 9.683 3.809 1.00 0.00 N ATOM 0 H ARG A 148 183.962 8.298 -1.728 1.00 0.00 H new ATOM 0 HA ARG A 148 184.912 10.980 -2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 148 186.175 8.193 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 148 187.146 9.651 -1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 148 185.838 10.558 0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 148 184.920 9.067 0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 148 187.153 7.803 0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 148 187.945 9.358 0.532 1.00 0.00 H new ATOM 0 HE ARG A 148 185.880 8.239 2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 148 185.848 11.316 1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 148 186.825 11.897 3.217 1.00 0.00 H new ATOM 0 HH21 ARG A 148 188.105 8.734 3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 148 188.091 10.448 4.402 1.00 0.00 H new ATOM 1093 N GLN A 149 185.932 11.169 -4.411 1.00 0.00 N ATOM 1094 CA GLN A 149 186.362 11.305 -5.835 1.00 0.00 C ATOM 1095 C GLN A 149 187.833 10.909 -5.983 1.00 0.00 C ATOM 1096 O GLN A 149 188.086 9.773 -6.349 1.00 0.00 O ATOM 1097 CB GLN A 149 186.169 12.786 -6.165 1.00 0.00 C ATOM 1098 CG GLN A 149 184.674 13.108 -6.209 1.00 0.00 C ATOM 1099 CD GLN A 149 184.481 14.589 -6.540 1.00 0.00 C ATOM 1100 OE1 GLN A 149 184.825 15.449 -5.753 1.00 0.00 O ATOM 1101 NE2 GLN A 149 183.941 14.926 -7.679 1.00 0.00 N ATOM 1102 OXT GLN A 149 188.681 11.749 -5.729 1.00 0.00 O ATOM 0 H GLN A 149 185.999 12.023 -3.857 1.00 0.00 H new ATOM 0 HA GLN A 149 185.792 10.660 -6.503 1.00 0.00 H new ATOM 0 HB2 GLN A 149 186.663 13.404 -5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 149 186.630 13.019 -7.125 1.00 0.00 H new ATOM 0 HG2 GLN A 149 184.180 12.490 -6.958 1.00 0.00 H new ATOM 0 HG3 GLN A 149 184.213 12.876 -5.249 1.00 0.00 H new ATOM 0 HE21 GLN A 149 183.652 14.205 -8.340 1.00 0.00 H new ATOM 0 HE22 GLN A 149 183.808 15.911 -7.909 1.00 0.00 H new TER 1111 GLN A 149