USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=11 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= -1.56 K(o=-2.4,f=-6.9!) USER MOD Set 1.2: A 139 TYR OH : rot 150:sc= -0.851 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= 0.0296 USER MOD Single : A 88 LYS NZ :NH3+ -123:sc= -0.0223 (180deg=-0.422) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -66:sc= 1.14 USER MOD Single : A 98 THR OG1 : rot -97:sc= 0.074 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0841 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 156:sc= -0.556 (180deg=-1.96!) USER MOD Single : A 111 THR OG1 : rot 86:sc= 1.03 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 USER MOD Single : A 134 ASN : amide:sc= -0.574 X(o=-0.57,f=-0.29) 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 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 80 176.197 17.835 -9.035 1.00 0.00 N ATOM 2 CA LYS A 80 176.059 16.356 -8.900 1.00 0.00 C ATOM 3 C LYS A 80 175.035 16.019 -7.806 1.00 0.00 C ATOM 4 O LYS A 80 174.212 16.832 -7.431 1.00 0.00 O ATOM 5 CB LYS A 80 177.462 15.862 -8.525 1.00 0.00 C ATOM 6 CG LYS A 80 177.901 16.487 -7.196 1.00 0.00 C ATOM 7 CD LYS A 80 179.294 15.973 -6.826 1.00 0.00 C ATOM 8 CE LYS A 80 179.460 16.000 -5.305 1.00 0.00 C ATOM 9 NZ LYS A 80 180.842 15.500 -5.060 1.00 0.00 N ATOM 0 HA LYS A 80 175.700 15.881 -9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.464 14.775 -8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 80 178.171 16.124 -9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 80 177.913 17.574 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 80 177.188 16.235 -6.411 1.00 0.00 H new ATOM 0 HD2 LYS A 80 179.430 14.958 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 80 180.058 16.591 -7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 80 179.329 17.008 -4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 80 178.719 15.368 -4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 181.031 15.489 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 180.935 14.536 -5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 181.526 16.125 -5.532 1.00 0.00 H new ATOM 23 N ALA A 81 175.097 14.817 -7.297 1.00 0.00 N ATOM 24 CA ALA A 81 174.157 14.378 -6.226 1.00 0.00 C ATOM 25 C ALA A 81 174.837 14.449 -4.855 1.00 0.00 C ATOM 26 O ALA A 81 176.036 14.279 -4.741 1.00 0.00 O ATOM 27 CB ALA A 81 173.843 12.922 -6.573 1.00 0.00 C ATOM 0 H ALA A 81 175.772 14.109 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 81 173.266 15.004 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 81 173.154 12.513 -5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 81 173.386 12.874 -7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 81 174.765 12.340 -6.570 1.00 0.00 H new ATOM 33 N LYS A 82 174.081 14.712 -3.819 1.00 0.00 N ATOM 34 CA LYS A 82 174.677 14.812 -2.455 1.00 0.00 C ATOM 35 C LYS A 82 174.446 13.530 -1.654 1.00 0.00 C ATOM 36 O LYS A 82 173.690 12.659 -2.038 1.00 0.00 O ATOM 37 CB LYS A 82 173.965 15.993 -1.796 1.00 0.00 C ATOM 38 CG LYS A 82 174.643 17.298 -2.221 1.00 0.00 C ATOM 39 CD LYS A 82 174.054 18.464 -1.425 1.00 0.00 C ATOM 40 CE LYS A 82 174.923 19.708 -1.624 1.00 0.00 C ATOM 41 NZ LYS A 82 175.842 19.726 -0.452 1.00 0.00 N ATOM 0 H LYS A 82 173.073 14.862 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 82 175.757 14.953 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 82 172.914 16.005 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 82 173.996 15.891 -0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 82 175.718 17.234 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 82 174.499 17.464 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 82 173.034 18.664 -1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 82 174.004 18.208 -0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 82 175.478 19.656 -2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 82 174.315 20.612 -1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 176.471 20.552 -0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 175.285 19.782 0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 176.412 18.856 -0.445 1.00 0.00 H new ATOM 55 N THR A 83 175.124 13.422 -0.538 1.00 0.00 N ATOM 56 CA THR A 83 174.997 12.203 0.324 1.00 0.00 C ATOM 57 C THR A 83 173.517 11.908 0.599 1.00 0.00 C ATOM 58 O THR A 83 173.116 10.774 0.754 1.00 0.00 O ATOM 59 CB THR A 83 175.737 12.545 1.620 1.00 0.00 C ATOM 60 OG1 THR A 83 177.028 13.047 1.304 1.00 0.00 O ATOM 61 CG2 THR A 83 175.875 11.292 2.492 1.00 0.00 C ATOM 0 H THR A 83 175.766 14.131 -0.183 1.00 0.00 H new ATOM 0 HA THR A 83 175.414 11.315 -0.150 1.00 0.00 H new ATOM 0 HB THR A 83 175.172 13.299 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 83 177.504 13.269 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 83 176.403 11.545 3.412 1.00 0.00 H new ATOM 0 HG22 THR A 83 174.885 10.908 2.736 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.436 10.531 1.949 1.00 0.00 H new ATOM 69 N GLU A 84 172.710 12.936 0.653 1.00 0.00 N ATOM 70 CA GLU A 84 171.244 12.753 0.912 1.00 0.00 C ATOM 71 C GLU A 84 170.637 11.729 -0.057 1.00 0.00 C ATOM 72 O GLU A 84 169.791 10.937 0.314 1.00 0.00 O ATOM 73 CB GLU A 84 170.630 14.133 0.666 1.00 0.00 C ATOM 74 CG GLU A 84 171.060 15.089 1.780 1.00 0.00 C ATOM 75 CD GLU A 84 170.377 14.687 3.088 1.00 0.00 C ATOM 76 OE1 GLU A 84 169.157 14.689 3.122 1.00 0.00 O ATOM 77 OE2 GLU A 84 171.084 14.385 4.035 1.00 0.00 O ATOM 0 H GLU A 84 173.004 13.905 0.528 1.00 0.00 H new ATOM 0 HA GLU A 84 171.055 12.381 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 84 170.951 14.518 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 84 169.543 14.059 0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 84 172.143 15.062 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 84 170.794 16.113 1.518 1.00 0.00 H new ATOM 84 N ASP A 85 171.073 11.738 -1.289 1.00 0.00 N ATOM 85 CA ASP A 85 170.534 10.762 -2.286 1.00 0.00 C ATOM 86 C ASP A 85 170.871 9.335 -1.844 1.00 0.00 C ATOM 87 O ASP A 85 170.030 8.456 -1.848 1.00 0.00 O ATOM 88 CB ASP A 85 171.240 11.098 -3.602 1.00 0.00 C ATOM 89 CG ASP A 85 170.617 10.290 -4.744 1.00 0.00 C ATOM 90 OD1 ASP A 85 170.170 9.184 -4.490 1.00 0.00 O ATOM 91 OD2 ASP A 85 170.600 10.792 -5.856 1.00 0.00 O ATOM 0 H ASP A 85 171.780 12.379 -1.650 1.00 0.00 H new ATOM 0 HA ASP A 85 169.450 10.824 -2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 85 171.154 12.165 -3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 85 172.304 10.873 -3.523 1.00 0.00 H new ATOM 96 N PHE A 86 172.100 9.108 -1.465 1.00 0.00 N ATOM 97 CA PHE A 86 172.522 7.746 -1.018 1.00 0.00 C ATOM 98 C PHE A 86 172.015 7.446 0.399 1.00 0.00 C ATOM 99 O PHE A 86 171.615 6.335 0.693 1.00 0.00 O ATOM 100 CB PHE A 86 174.054 7.779 -1.039 1.00 0.00 C ATOM 101 CG PHE A 86 174.554 7.218 -2.351 1.00 0.00 C ATOM 102 CD1 PHE A 86 174.176 5.931 -2.748 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.391 7.985 -3.171 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.634 5.409 -3.963 1.00 0.00 C ATOM 105 CE2 PHE A 86 175.850 7.463 -4.387 1.00 0.00 C ATOM 106 CZ PHE A 86 175.471 6.174 -4.783 1.00 0.00 C ATOM 0 H PHE A 86 172.837 9.813 -1.445 1.00 0.00 H new ATOM 0 HA PHE A 86 172.114 6.968 -1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.408 8.802 -0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.452 7.197 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.530 5.340 -2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 86 175.683 8.979 -2.866 1.00 0.00 H new ATOM 0 HE1 PHE A 86 174.341 4.415 -4.268 1.00 0.00 H new ATOM 0 HE2 PHE A 86 176.496 8.054 -5.019 1.00 0.00 H new ATOM 0 HZ PHE A 86 175.824 5.771 -5.720 1.00 0.00 H new ATOM 116 N VAL A 87 172.054 8.411 1.285 1.00 0.00 N ATOM 117 CA VAL A 87 171.601 8.159 2.691 1.00 0.00 C ATOM 118 C VAL A 87 170.120 7.757 2.717 1.00 0.00 C ATOM 119 O VAL A 87 169.751 6.761 3.310 1.00 0.00 O ATOM 120 CB VAL A 87 171.811 9.491 3.426 1.00 0.00 C ATOM 121 CG1 VAL A 87 171.371 9.355 4.887 1.00 0.00 C ATOM 122 CG2 VAL A 87 173.295 9.873 3.384 1.00 0.00 C ATOM 0 H VAL A 87 172.379 9.360 1.098 1.00 0.00 H new ATOM 0 HA VAL A 87 172.155 7.344 3.157 1.00 0.00 H new ATOM 0 HB VAL A 87 171.217 10.263 2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 87 171.523 10.303 5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 87 170.315 9.086 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.961 8.579 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 87 173.442 10.818 3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.885 9.095 3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.615 9.977 2.347 1.00 0.00 H new ATOM 132 N LYS A 88 169.273 8.535 2.094 1.00 0.00 N ATOM 133 CA LYS A 88 167.807 8.219 2.094 1.00 0.00 C ATOM 134 C LYS A 88 167.546 6.820 1.526 1.00 0.00 C ATOM 135 O LYS A 88 166.615 6.146 1.917 1.00 0.00 O ATOM 136 CB LYS A 88 167.167 9.286 1.202 1.00 0.00 C ATOM 137 CG LYS A 88 165.644 9.204 1.322 1.00 0.00 C ATOM 138 CD LYS A 88 165.006 10.332 0.509 1.00 0.00 C ATOM 139 CE LYS A 88 163.494 10.338 0.741 1.00 0.00 C ATOM 140 NZ LYS A 88 163.313 10.955 2.085 1.00 0.00 N ATOM 0 H LYS A 88 169.531 9.379 1.583 1.00 0.00 H new ATOM 0 HA LYS A 88 167.395 8.225 3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.513 10.277 1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 88 167.469 9.138 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 88 165.292 8.238 0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 88 165.346 9.282 2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 88 165.433 11.291 0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 88 165.221 10.197 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 88 162.979 10.912 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 88 163.086 9.328 0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 162.792 10.299 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 164.244 11.157 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 162.776 11.841 1.991 1.00 0.00 H new ATOM 154 N ALA A 89 168.351 6.394 0.593 1.00 0.00 N ATOM 155 CA ALA A 89 168.147 5.048 -0.030 1.00 0.00 C ATOM 156 C ALA A 89 168.259 3.917 1.000 1.00 0.00 C ATOM 157 O ALA A 89 167.329 3.153 1.184 1.00 0.00 O ATOM 158 CB ALA A 89 169.255 4.921 -1.072 1.00 0.00 C ATOM 0 H ALA A 89 169.146 6.920 0.231 1.00 0.00 H new ATOM 0 HA ALA A 89 167.150 4.964 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 89 169.173 3.957 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 89 169.158 5.722 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 89 170.226 4.993 -0.582 1.00 0.00 H new ATOM 164 N PHE A 90 169.386 3.783 1.653 1.00 0.00 N ATOM 165 CA PHE A 90 169.550 2.673 2.647 1.00 0.00 C ATOM 166 C PHE A 90 168.824 2.972 3.966 1.00 0.00 C ATOM 167 O PHE A 90 168.070 2.155 4.460 1.00 0.00 O ATOM 168 CB PHE A 90 171.060 2.568 2.872 1.00 0.00 C ATOM 169 CG PHE A 90 171.707 1.985 1.637 1.00 0.00 C ATOM 170 CD1 PHE A 90 171.534 0.630 1.331 1.00 0.00 C ATOM 171 CD2 PHE A 90 172.475 2.799 0.794 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.128 0.088 0.185 1.00 0.00 C ATOM 173 CE2 PHE A 90 173.069 2.257 -0.352 1.00 0.00 C ATOM 174 CZ PHE A 90 172.896 0.902 -0.656 1.00 0.00 C ATOM 0 H PHE A 90 170.198 4.391 1.543 1.00 0.00 H new ATOM 0 HA PHE A 90 169.116 1.743 2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 90 171.477 3.552 3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 90 171.268 1.939 3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 90 170.942 0.002 1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 90 172.609 3.845 1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 90 171.994 -0.958 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 90 173.661 2.885 -1.002 1.00 0.00 H new ATOM 0 HZ PHE A 90 173.355 0.484 -1.540 1.00 0.00 H new ATOM 184 N GLN A 91 169.092 4.103 4.571 1.00 0.00 N ATOM 185 CA GLN A 91 168.471 4.426 5.902 1.00 0.00 C ATOM 186 C GLN A 91 166.954 4.182 5.926 1.00 0.00 C ATOM 187 O GLN A 91 166.428 3.717 6.922 1.00 0.00 O ATOM 188 CB GLN A 91 168.769 5.907 6.134 1.00 0.00 C ATOM 189 CG GLN A 91 170.215 6.070 6.604 1.00 0.00 C ATOM 190 CD GLN A 91 170.317 7.282 7.531 1.00 0.00 C ATOM 191 OE1 GLN A 91 170.086 8.400 7.117 1.00 0.00 O ATOM 192 NE2 GLN A 91 170.655 7.106 8.780 1.00 0.00 N ATOM 0 H GLN A 91 169.716 4.821 4.203 1.00 0.00 H new ATOM 0 HA GLN A 91 168.882 3.781 6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 91 168.609 6.469 5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 91 168.085 6.314 6.879 1.00 0.00 H new ATOM 0 HG2 GLN A 91 170.542 5.171 7.126 1.00 0.00 H new ATOM 0 HG3 GLN A 91 170.875 6.198 5.746 1.00 0.00 H new ATOM 0 HE21 GLN A 91 170.849 6.167 9.128 1.00 0.00 H new ATOM 0 HE22 GLN A 91 170.725 7.907 9.407 1.00 0.00 H new ATOM 201 N VAL A 92 166.239 4.483 4.866 1.00 0.00 N ATOM 202 CA VAL A 92 164.756 4.249 4.886 1.00 0.00 C ATOM 203 C VAL A 92 164.472 2.756 5.131 1.00 0.00 C ATOM 204 O VAL A 92 163.521 2.402 5.804 1.00 0.00 O ATOM 205 CB VAL A 92 164.246 4.714 3.511 1.00 0.00 C ATOM 206 CG1 VAL A 92 162.777 4.315 3.320 1.00 0.00 C ATOM 207 CG2 VAL A 92 164.358 6.238 3.427 1.00 0.00 C ATOM 0 H VAL A 92 166.610 4.875 4.000 1.00 0.00 H new ATOM 0 HA VAL A 92 164.253 4.795 5.684 1.00 0.00 H new ATOM 0 HB VAL A 92 164.847 4.242 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 92 162.433 4.652 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 92 162.683 3.231 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 92 162.170 4.778 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 92 163.998 6.576 2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 92 163.756 6.691 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 92 165.400 6.534 3.551 1.00 0.00 H new ATOM 217 N PHE A 93 165.306 1.887 4.614 1.00 0.00 N ATOM 218 CA PHE A 93 165.101 0.421 4.844 1.00 0.00 C ATOM 219 C PHE A 93 165.254 0.130 6.341 1.00 0.00 C ATOM 220 O PHE A 93 164.514 -0.657 6.895 1.00 0.00 O ATOM 221 CB PHE A 93 166.201 -0.275 4.041 1.00 0.00 C ATOM 222 CG PHE A 93 165.947 -1.764 4.023 1.00 0.00 C ATOM 223 CD1 PHE A 93 166.487 -2.579 5.025 1.00 0.00 C ATOM 224 CD2 PHE A 93 165.170 -2.328 3.005 1.00 0.00 C ATOM 225 CE1 PHE A 93 166.250 -3.959 5.008 1.00 0.00 C ATOM 226 CE2 PHE A 93 164.933 -3.708 2.988 1.00 0.00 C ATOM 227 CZ PHE A 93 165.473 -4.523 3.990 1.00 0.00 C ATOM 0 H PHE A 93 166.117 2.127 4.045 1.00 0.00 H new ATOM 0 HA PHE A 93 164.114 0.076 4.536 1.00 0.00 H new ATOM 0 HB2 PHE A 93 166.223 0.113 3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 93 167.175 -0.067 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 93 167.086 -2.144 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 93 164.753 -1.699 2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 93 166.667 -4.588 5.781 1.00 0.00 H new ATOM 0 HE2 PHE A 93 164.334 -4.143 2.202 1.00 0.00 H new ATOM 0 HZ PHE A 93 165.290 -5.587 3.977 1.00 0.00 H new ATOM 237 N ASP A 94 166.215 0.740 6.992 1.00 0.00 N ATOM 238 CA ASP A 94 166.422 0.482 8.456 1.00 0.00 C ATOM 239 C ASP A 94 165.196 0.913 9.271 1.00 0.00 C ATOM 240 O ASP A 94 165.167 1.985 9.845 1.00 0.00 O ATOM 241 CB ASP A 94 167.641 1.322 8.846 1.00 0.00 C ATOM 242 CG ASP A 94 168.905 0.698 8.252 1.00 0.00 C ATOM 243 OD1 ASP A 94 168.954 -0.518 8.154 1.00 0.00 O ATOM 244 OD2 ASP A 94 169.804 1.446 7.904 1.00 0.00 O ATOM 0 H ASP A 94 166.866 1.405 6.575 1.00 0.00 H new ATOM 0 HA ASP A 94 166.571 -0.579 8.657 1.00 0.00 H new ATOM 0 HB2 ASP A 94 167.523 2.343 8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 94 167.726 1.377 9.931 1.00 0.00 H new ATOM 249 N LYS A 95 164.188 0.080 9.321 1.00 0.00 N ATOM 250 CA LYS A 95 162.955 0.426 10.093 1.00 0.00 C ATOM 251 C LYS A 95 163.280 0.570 11.583 1.00 0.00 C ATOM 252 O LYS A 95 162.795 1.469 12.244 1.00 0.00 O ATOM 253 CB LYS A 95 161.997 -0.747 9.871 1.00 0.00 C ATOM 254 CG LYS A 95 161.536 -0.764 8.412 1.00 0.00 C ATOM 255 CD LYS A 95 160.552 0.383 8.173 1.00 0.00 C ATOM 256 CE LYS A 95 159.854 0.184 6.826 1.00 0.00 C ATOM 257 NZ LYS A 95 158.620 -0.588 7.143 1.00 0.00 N ATOM 0 H LYS A 95 164.165 -0.829 8.859 1.00 0.00 H new ATOM 0 HA LYS A 95 162.525 1.373 9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 95 162.493 -1.686 10.117 1.00 0.00 H new ATOM 0 HB3 LYS A 95 161.136 -0.657 10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 95 162.394 -0.665 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 95 161.062 -1.718 8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 95 159.815 0.417 8.975 1.00 0.00 H new ATOM 0 HD3 LYS A 95 161.079 1.337 8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 95 159.613 1.140 6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 95 160.491 -0.359 6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 158.086 -0.764 6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 158.881 -1.496 7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 158.030 -0.044 7.804 1.00 0.00 H new ATOM 271 N GLU A 96 164.096 -0.306 12.118 1.00 0.00 N ATOM 272 CA GLU A 96 164.450 -0.217 13.569 1.00 0.00 C ATOM 273 C GLU A 96 165.717 0.628 13.772 1.00 0.00 C ATOM 274 O GLU A 96 166.314 0.607 14.830 1.00 0.00 O ATOM 275 CB GLU A 96 164.693 -1.662 14.006 1.00 0.00 C ATOM 276 CG GLU A 96 163.372 -2.434 13.976 1.00 0.00 C ATOM 277 CD GLU A 96 162.444 -1.901 15.069 1.00 0.00 C ATOM 278 OE1 GLU A 96 162.923 -1.675 16.168 1.00 0.00 O ATOM 279 OE2 GLU A 96 161.269 -1.727 14.788 1.00 0.00 O ATOM 0 H GLU A 96 164.532 -1.078 11.613 1.00 0.00 H new ATOM 0 HA GLU A 96 163.663 0.262 14.151 1.00 0.00 H new ATOM 0 HB2 GLU A 96 165.418 -2.136 13.345 1.00 0.00 H new ATOM 0 HB3 GLU A 96 165.116 -1.683 15.010 1.00 0.00 H new ATOM 0 HG2 GLU A 96 162.899 -2.329 13.000 1.00 0.00 H new ATOM 0 HG3 GLU A 96 163.557 -3.497 14.128 1.00 0.00 H new ATOM 286 N SER A 97 166.107 1.394 12.777 1.00 0.00 N ATOM 287 CA SER A 97 167.312 2.286 12.876 1.00 0.00 C ATOM 288 C SER A 97 168.490 1.665 13.648 1.00 0.00 C ATOM 289 O SER A 97 168.917 2.190 14.661 1.00 0.00 O ATOM 290 CB SER A 97 166.808 3.544 13.582 1.00 0.00 C ATOM 291 OG SER A 97 167.917 4.356 13.944 1.00 0.00 O ATOM 0 H SER A 97 165.628 1.439 11.878 1.00 0.00 H new ATOM 0 HA SER A 97 167.718 2.478 11.883 1.00 0.00 H new ATOM 0 HB2 SER A 97 166.136 4.098 12.927 1.00 0.00 H new ATOM 0 HB3 SER A 97 166.236 3.273 14.469 1.00 0.00 H new ATOM 0 HG SER A 97 168.457 3.891 14.616 1.00 0.00 H new ATOM 297 N THR A 98 169.030 0.568 13.173 1.00 0.00 N ATOM 298 CA THR A 98 170.191 -0.055 13.881 1.00 0.00 C ATOM 299 C THR A 98 171.494 0.517 13.317 1.00 0.00 C ATOM 300 O THR A 98 172.468 0.686 14.027 1.00 0.00 O ATOM 301 CB THR A 98 170.085 -1.554 13.592 1.00 0.00 C ATOM 302 OG1 THR A 98 169.815 -1.750 12.212 1.00 0.00 O ATOM 303 CG2 THR A 98 168.955 -2.158 14.427 1.00 0.00 C ATOM 0 H THR A 98 168.719 0.081 12.332 1.00 0.00 H new ATOM 0 HA THR A 98 170.185 0.142 14.953 1.00 0.00 H new ATOM 0 HB THR A 98 171.025 -2.042 13.851 1.00 0.00 H new ATOM 0 HG1 THR A 98 168.852 -1.878 12.082 1.00 0.00 H new ATOM 0 HG21 THR A 98 168.880 -3.226 14.220 1.00 0.00 H new ATOM 0 HG22 THR A 98 169.164 -2.007 15.486 1.00 0.00 H new ATOM 0 HG23 THR A 98 168.013 -1.672 14.171 1.00 0.00 H new ATOM 311 N GLY A 99 171.509 0.827 12.046 1.00 0.00 N ATOM 312 CA GLY A 99 172.737 1.404 11.423 1.00 0.00 C ATOM 313 C GLY A 99 173.562 0.313 10.724 1.00 0.00 C ATOM 314 O GLY A 99 174.684 0.553 10.318 1.00 0.00 O ATOM 0 H GLY A 99 170.720 0.705 11.411 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.457 2.172 10.702 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.343 1.890 12.187 1.00 0.00 H new ATOM 318 N LYS A 100 173.030 -0.880 10.579 1.00 0.00 N ATOM 319 CA LYS A 100 173.802 -1.970 9.908 1.00 0.00 C ATOM 320 C LYS A 100 172.927 -2.678 8.869 1.00 0.00 C ATOM 321 O LYS A 100 171.715 -2.694 8.981 1.00 0.00 O ATOM 322 CB LYS A 100 174.167 -2.938 11.038 1.00 0.00 C ATOM 323 CG LYS A 100 175.211 -2.292 11.961 1.00 0.00 C ATOM 324 CD LYS A 100 174.589 -2.005 13.331 1.00 0.00 C ATOM 325 CE LYS A 100 174.753 -3.228 14.235 1.00 0.00 C ATOM 326 NZ LYS A 100 174.486 -2.728 15.612 1.00 0.00 N ATOM 0 H LYS A 100 172.097 -1.142 10.896 1.00 0.00 H new ATOM 0 HA LYS A 100 174.680 -1.593 9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.275 -3.198 11.608 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.561 -3.865 10.622 1.00 0.00 H new ATOM 0 HG2 LYS A 100 176.069 -2.954 12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 100 175.578 -1.366 11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 100 175.068 -1.138 13.785 1.00 0.00 H new ATOM 0 HD3 LYS A 100 173.532 -1.762 13.218 1.00 0.00 H new ATOM 0 HE2 LYS A 100 174.055 -4.019 13.960 1.00 0.00 H new ATOM 0 HE3 LYS A 100 175.756 -3.647 14.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 174.580 -3.511 16.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 175.170 -1.981 15.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 173.522 -2.342 15.660 1.00 0.00 H new ATOM 340 N VAL A 101 173.526 -3.279 7.869 1.00 0.00 N ATOM 341 CA VAL A 101 172.720 -4.003 6.837 1.00 0.00 C ATOM 342 C VAL A 101 173.530 -5.170 6.265 1.00 0.00 C ATOM 343 O VAL A 101 174.743 -5.199 6.358 1.00 0.00 O ATOM 344 CB VAL A 101 172.402 -2.970 5.748 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.544 -1.850 6.341 1.00 0.00 C ATOM 346 CG2 VAL A 101 173.704 -2.377 5.200 1.00 0.00 C ATOM 0 H VAL A 101 174.535 -3.299 7.723 1.00 0.00 H new ATOM 0 HA VAL A 101 171.805 -4.423 7.255 1.00 0.00 H new ATOM 0 HB VAL A 101 171.859 -3.458 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.318 -1.116 5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 101 170.614 -2.269 6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 101 172.088 -1.366 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 101 173.473 -1.644 4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 101 174.251 -1.892 6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 101 174.315 -3.173 4.774 1.00 0.00 H new ATOM 356 N SER A 102 172.866 -6.129 5.670 1.00 0.00 N ATOM 357 CA SER A 102 173.586 -7.298 5.081 1.00 0.00 C ATOM 358 C SER A 102 174.137 -6.935 3.702 1.00 0.00 C ATOM 359 O SER A 102 173.526 -6.193 2.957 1.00 0.00 O ATOM 360 CB SER A 102 172.528 -8.394 4.958 1.00 0.00 C ATOM 361 OG SER A 102 171.343 -7.842 4.399 1.00 0.00 O ATOM 0 H SER A 102 171.851 -6.152 5.567 1.00 0.00 H new ATOM 0 HA SER A 102 174.432 -7.613 5.692 1.00 0.00 H new ATOM 0 HB2 SER A 102 172.898 -9.204 4.329 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.316 -8.823 5.938 1.00 0.00 H new ATOM 0 HG SER A 102 170.663 -8.543 4.317 1.00 0.00 H new ATOM 367 N VAL A 103 175.292 -7.448 3.362 1.00 0.00 N ATOM 368 CA VAL A 103 175.899 -7.131 2.029 1.00 0.00 C ATOM 369 C VAL A 103 174.942 -7.510 0.888 1.00 0.00 C ATOM 370 O VAL A 103 174.828 -6.797 -0.091 1.00 0.00 O ATOM 371 CB VAL A 103 177.186 -7.967 1.962 1.00 0.00 C ATOM 372 CG1 VAL A 103 176.852 -9.460 2.048 1.00 0.00 C ATOM 373 CG2 VAL A 103 177.913 -7.684 0.643 1.00 0.00 C ATOM 0 H VAL A 103 175.843 -8.074 3.949 1.00 0.00 H new ATOM 0 HA VAL A 103 176.101 -6.066 1.919 1.00 0.00 H new ATOM 0 HB VAL A 103 177.827 -7.696 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 103 177.772 -10.042 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.342 -9.665 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 103 176.204 -9.736 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 103 178.826 -8.277 0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 103 177.265 -7.948 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 103 178.165 -6.625 0.587 1.00 0.00 H new ATOM 383 N GLY A 104 174.264 -8.627 1.001 1.00 0.00 N ATOM 384 CA GLY A 104 173.326 -9.054 -0.081 1.00 0.00 C ATOM 385 C GLY A 104 172.251 -7.987 -0.305 1.00 0.00 C ATOM 386 O GLY A 104 171.896 -7.678 -1.426 1.00 0.00 O ATOM 0 H GLY A 104 174.321 -9.261 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 104 173.879 -9.222 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 104 172.858 -10.001 0.187 1.00 0.00 H new ATOM 390 N ASP A 105 171.736 -7.422 0.758 1.00 0.00 N ATOM 391 CA ASP A 105 170.686 -6.367 0.621 1.00 0.00 C ATOM 392 C ASP A 105 171.325 -5.016 0.297 1.00 0.00 C ATOM 393 O ASP A 105 170.808 -4.248 -0.492 1.00 0.00 O ATOM 394 CB ASP A 105 169.987 -6.322 1.980 1.00 0.00 C ATOM 395 CG ASP A 105 168.631 -5.629 1.835 1.00 0.00 C ATOM 396 OD1 ASP A 105 168.612 -4.409 1.804 1.00 0.00 O ATOM 397 OD2 ASP A 105 167.636 -6.330 1.756 1.00 0.00 O ATOM 0 H ASP A 105 171.998 -7.647 1.718 1.00 0.00 H new ATOM 0 HA ASP A 105 169.988 -6.585 -0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 105 169.851 -7.333 2.364 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.605 -5.787 2.701 1.00 0.00 H new ATOM 402 N LEU A 106 172.441 -4.720 0.914 1.00 0.00 N ATOM 403 CA LEU A 106 173.119 -3.411 0.662 1.00 0.00 C ATOM 404 C LEU A 106 173.489 -3.284 -0.821 1.00 0.00 C ATOM 405 O LEU A 106 173.208 -2.280 -1.449 1.00 0.00 O ATOM 406 CB LEU A 106 174.383 -3.444 1.530 1.00 0.00 C ATOM 407 CG LEU A 106 175.170 -2.142 1.356 1.00 0.00 C ATOM 408 CD1 LEU A 106 174.439 -1.001 2.064 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.565 -2.307 1.963 1.00 0.00 C ATOM 0 H LEU A 106 172.913 -5.329 1.582 1.00 0.00 H new ATOM 0 HA LEU A 106 172.480 -2.562 0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.112 -3.578 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 106 175.004 -4.295 1.250 1.00 0.00 H new ATOM 0 HG LEU A 106 175.258 -1.911 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 106 175.001 -0.076 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 106 173.445 -0.883 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 106 174.349 -1.230 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 106 177.127 -1.381 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 106 176.475 -2.539 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 106 177.088 -3.119 1.457 1.00 0.00 H new ATOM 421 N ARG A 107 174.127 -4.281 -1.379 1.00 0.00 N ATOM 422 CA ARG A 107 174.527 -4.202 -2.818 1.00 0.00 C ATOM 423 C ARG A 107 173.298 -4.176 -3.728 1.00 0.00 C ATOM 424 O ARG A 107 173.336 -3.613 -4.807 1.00 0.00 O ATOM 425 CB ARG A 107 175.379 -5.447 -3.082 1.00 0.00 C ATOM 426 CG ARG A 107 176.341 -5.171 -4.242 1.00 0.00 C ATOM 427 CD ARG A 107 175.712 -5.649 -5.554 1.00 0.00 C ATOM 428 NE ARG A 107 175.725 -7.137 -5.474 1.00 0.00 N ATOM 429 CZ ARG A 107 175.008 -7.841 -6.307 1.00 0.00 C ATOM 430 NH1 ARG A 107 173.752 -8.079 -6.048 1.00 0.00 N ATOM 431 NH2 ARG A 107 175.549 -8.305 -7.401 1.00 0.00 N ATOM 0 H ARG A 107 174.388 -5.144 -0.903 1.00 0.00 H new ATOM 0 HA ARG A 107 175.082 -3.287 -3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 107 175.940 -5.714 -2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.738 -6.295 -3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 107 176.561 -4.105 -4.299 1.00 0.00 H new ATOM 0 HG3 ARG A 107 177.288 -5.684 -4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 107 174.696 -5.269 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 107 176.280 -5.296 -6.415 1.00 0.00 H new ATOM 0 HE ARG A 107 176.294 -7.605 -4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 107 173.329 -7.715 -5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 107 173.192 -8.629 -6.699 1.00 0.00 H new ATOM 0 HH21 ARG A 107 176.531 -8.117 -7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 107 174.990 -8.855 -8.053 1.00 0.00 H new ATOM 445 N TYR A 108 172.212 -4.787 -3.313 1.00 0.00 N ATOM 446 CA TYR A 108 170.995 -4.794 -4.180 1.00 0.00 C ATOM 447 C TYR A 108 170.449 -3.371 -4.332 1.00 0.00 C ATOM 448 O TYR A 108 170.156 -2.931 -5.428 1.00 0.00 O ATOM 449 CB TYR A 108 169.986 -5.703 -3.476 1.00 0.00 C ATOM 450 CG TYR A 108 168.897 -6.093 -4.446 1.00 0.00 C ATOM 451 CD1 TYR A 108 167.811 -5.237 -4.664 1.00 0.00 C ATOM 452 CD2 TYR A 108 168.975 -7.313 -5.129 1.00 0.00 C ATOM 453 CE1 TYR A 108 166.803 -5.601 -5.564 1.00 0.00 C ATOM 454 CE2 TYR A 108 167.966 -7.677 -6.029 1.00 0.00 C ATOM 455 CZ TYR A 108 166.880 -6.821 -6.247 1.00 0.00 C ATOM 456 OH TYR A 108 165.886 -7.179 -7.134 1.00 0.00 O ATOM 0 H TYR A 108 172.118 -5.275 -2.422 1.00 0.00 H new ATOM 0 HA TYR A 108 171.210 -5.157 -5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.486 -6.594 -3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.555 -5.189 -2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 108 167.751 -4.296 -4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 108 169.813 -7.973 -4.962 1.00 0.00 H new ATOM 0 HE1 TYR A 108 165.965 -4.941 -5.732 1.00 0.00 H new ATOM 0 HE2 TYR A 108 168.026 -8.618 -6.555 1.00 0.00 H new ATOM 0 HH TYR A 108 166.094 -8.054 -7.522 1.00 0.00 H new ATOM 466 N MET A 109 170.302 -2.652 -3.244 1.00 0.00 N ATOM 467 CA MET A 109 169.765 -1.262 -3.343 1.00 0.00 C ATOM 468 C MET A 109 170.716 -0.390 -4.149 1.00 0.00 C ATOM 469 O MET A 109 170.286 0.410 -4.958 1.00 0.00 O ATOM 470 CB MET A 109 169.663 -0.758 -1.906 1.00 0.00 C ATOM 471 CG MET A 109 168.270 -1.075 -1.348 1.00 0.00 C ATOM 472 SD MET A 109 167.479 0.442 -0.742 1.00 0.00 S ATOM 473 CE MET A 109 167.622 1.403 -2.274 1.00 0.00 C ATOM 0 H MET A 109 170.529 -2.966 -2.301 1.00 0.00 H new ATOM 0 HA MET A 109 168.799 -1.233 -3.846 1.00 0.00 H new ATOM 0 HB2 MET A 109 170.429 -1.229 -1.289 1.00 0.00 H new ATOM 0 HB3 MET A 109 169.843 0.316 -1.873 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.654 -1.530 -2.124 1.00 0.00 H new ATOM 0 HG3 MET A 109 168.351 -1.800 -0.538 1.00 0.00 H new ATOM 0 HE1 MET A 109 166.857 2.179 -2.289 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.608 1.864 -2.323 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.487 0.743 -3.131 1.00 0.00 H new ATOM 483 N LEU A 110 172.005 -0.536 -3.955 1.00 0.00 N ATOM 484 CA LEU A 110 172.971 0.295 -4.742 1.00 0.00 C ATOM 485 C LEU A 110 172.696 0.087 -6.233 1.00 0.00 C ATOM 486 O LEU A 110 172.615 1.024 -7.003 1.00 0.00 O ATOM 487 CB LEU A 110 174.359 -0.232 -4.367 1.00 0.00 C ATOM 488 CG LEU A 110 175.349 0.932 -4.303 1.00 0.00 C ATOM 489 CD1 LEU A 110 175.076 1.768 -3.051 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.776 0.383 -4.245 1.00 0.00 C ATOM 0 H LEU A 110 172.427 -1.187 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 110 172.887 1.361 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.318 -0.741 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.691 -0.966 -5.102 1.00 0.00 H new ATOM 0 HG LEU A 110 175.233 1.556 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 110 175.782 2.597 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 110 174.059 2.159 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 110 175.192 1.144 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.483 1.211 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 110 176.890 -0.241 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 110 176.973 -0.213 -5.136 1.00 0.00 H new ATOM 502 N THR A 111 172.507 -1.147 -6.623 1.00 0.00 N ATOM 503 CA THR A 111 172.197 -1.450 -8.056 1.00 0.00 C ATOM 504 C THR A 111 170.890 -0.756 -8.458 1.00 0.00 C ATOM 505 O THR A 111 170.706 -0.353 -9.590 1.00 0.00 O ATOM 506 CB THR A 111 172.046 -2.971 -8.126 1.00 0.00 C ATOM 507 OG1 THR A 111 173.173 -3.585 -7.516 1.00 0.00 O ATOM 508 CG2 THR A 111 171.952 -3.410 -9.587 1.00 0.00 C ATOM 0 H THR A 111 172.554 -1.961 -6.011 1.00 0.00 H new ATOM 0 HA THR A 111 172.974 -1.096 -8.734 1.00 0.00 H new ATOM 0 HB THR A 111 171.139 -3.271 -7.601 1.00 0.00 H new ATOM 0 HG1 THR A 111 173.022 -3.660 -6.551 1.00 0.00 H new ATOM 0 HG21 THR A 111 171.845 -4.494 -9.635 1.00 0.00 H new ATOM 0 HG22 THR A 111 171.087 -2.938 -10.054 1.00 0.00 H new ATOM 0 HG23 THR A 111 172.857 -3.111 -10.116 1.00 0.00 H new ATOM 516 N GLY A 112 170.003 -0.587 -7.516 1.00 0.00 N ATOM 517 CA GLY A 112 168.714 0.114 -7.784 1.00 0.00 C ATOM 518 C GLY A 112 168.891 1.633 -7.611 1.00 0.00 C ATOM 519 O GLY A 112 168.035 2.412 -7.982 1.00 0.00 O ATOM 0 H GLY A 112 170.119 -0.910 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.374 -0.107 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 112 167.945 -0.250 -7.103 1.00 0.00 H new ATOM 523 N LEU A 113 169.981 2.052 -7.011 1.00 0.00 N ATOM 524 CA LEU A 113 170.225 3.505 -6.754 1.00 0.00 C ATOM 525 C LEU A 113 171.082 4.159 -7.852 1.00 0.00 C ATOM 526 O LEU A 113 171.506 5.291 -7.705 1.00 0.00 O ATOM 527 CB LEU A 113 171.002 3.518 -5.432 1.00 0.00 C ATOM 528 CG LEU A 113 170.497 4.639 -4.521 1.00 0.00 C ATOM 529 CD1 LEU A 113 171.297 4.612 -3.220 1.00 0.00 C ATOM 530 CD2 LEU A 113 170.689 5.998 -5.201 1.00 0.00 C ATOM 0 H LEU A 113 170.724 1.435 -6.683 1.00 0.00 H new ATOM 0 HA LEU A 113 169.290 4.064 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 113 170.892 2.557 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 113 172.065 3.654 -5.630 1.00 0.00 H new ATOM 0 HG LEU A 113 169.436 4.491 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 113 170.947 5.407 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 113 171.162 3.648 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 113 172.354 4.762 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 113 170.326 6.788 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 113 171.748 6.155 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 113 170.130 6.019 -6.136 1.00 0.00 H new ATOM 542 N GLY A 114 171.370 3.472 -8.929 1.00 0.00 N ATOM 543 CA GLY A 114 172.231 4.081 -9.994 1.00 0.00 C ATOM 544 C GLY A 114 173.647 3.504 -9.875 1.00 0.00 C ATOM 545 O GLY A 114 174.625 4.152 -10.195 1.00 0.00 O ATOM 0 H GLY A 114 171.050 2.522 -9.118 1.00 0.00 H new ATOM 0 HA2 GLY A 114 171.818 3.868 -10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.255 5.165 -9.886 1.00 0.00 H new ATOM 549 N GLU A 115 173.745 2.278 -9.441 1.00 0.00 N ATOM 550 CA GLU A 115 175.080 1.618 -9.320 1.00 0.00 C ATOM 551 C GLU A 115 175.195 0.468 -10.320 1.00 0.00 C ATOM 552 O GLU A 115 174.436 -0.482 -10.268 1.00 0.00 O ATOM 553 CB GLU A 115 175.154 1.085 -7.891 1.00 0.00 C ATOM 554 CG GLU A 115 176.616 0.836 -7.515 1.00 0.00 C ATOM 555 CD GLU A 115 177.255 2.143 -7.041 1.00 0.00 C ATOM 556 OE1 GLU A 115 176.554 2.937 -6.435 1.00 0.00 O ATOM 557 OE2 GLU A 115 178.434 2.327 -7.292 1.00 0.00 O ATOM 0 H GLU A 115 172.953 1.699 -9.162 1.00 0.00 H new ATOM 0 HA GLU A 115 175.892 2.314 -9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.707 1.800 -7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 115 174.583 0.160 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 115 176.676 0.084 -6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 115 177.161 0.444 -8.374 1.00 0.00 H new ATOM 564 N LYS A 116 176.148 0.529 -11.212 1.00 0.00 N ATOM 565 CA LYS A 116 176.329 -0.567 -12.189 1.00 0.00 C ATOM 566 C LYS A 116 177.744 -1.127 -12.066 1.00 0.00 C ATOM 567 O LYS A 116 178.510 -1.152 -13.009 1.00 0.00 O ATOM 568 CB LYS A 116 176.056 0.022 -13.574 1.00 0.00 C ATOM 569 CG LYS A 116 176.789 1.359 -13.758 1.00 0.00 C ATOM 570 CD LYS A 116 176.499 1.913 -15.154 1.00 0.00 C ATOM 571 CE LYS A 116 177.116 3.307 -15.288 1.00 0.00 C ATOM 572 NZ LYS A 116 176.937 3.671 -16.722 1.00 0.00 N ATOM 0 H LYS A 116 176.810 1.300 -11.301 1.00 0.00 H new ATOM 0 HA LYS A 116 175.645 -1.396 -12.009 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.377 -0.682 -14.342 1.00 0.00 H new ATOM 0 HB3 LYS A 116 174.984 0.170 -13.705 1.00 0.00 H new ATOM 0 HG2 LYS A 116 176.465 2.071 -12.998 1.00 0.00 H new ATOM 0 HG3 LYS A 116 177.862 1.219 -13.627 1.00 0.00 H new ATOM 0 HD2 LYS A 116 176.909 1.247 -15.913 1.00 0.00 H new ATOM 0 HD3 LYS A 116 175.423 1.962 -15.321 1.00 0.00 H new ATOM 0 HE2 LYS A 116 176.619 4.023 -14.634 1.00 0.00 H new ATOM 0 HE3 LYS A 116 178.170 3.300 -15.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 177.336 4.616 -16.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 177.426 2.975 -17.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 175.923 3.676 -16.955 1.00 0.00 H new ATOM 586 N LEU A 117 178.065 -1.612 -10.898 1.00 0.00 N ATOM 587 CA LEU A 117 179.395 -2.228 -10.651 1.00 0.00 C ATOM 588 C LEU A 117 179.289 -3.726 -10.941 1.00 0.00 C ATOM 589 O LEU A 117 178.248 -4.325 -10.740 1.00 0.00 O ATOM 590 CB LEU A 117 179.690 -1.976 -9.172 1.00 0.00 C ATOM 591 CG LEU A 117 179.737 -0.470 -8.907 1.00 0.00 C ATOM 592 CD1 LEU A 117 179.801 -0.218 -7.400 1.00 0.00 C ATOM 593 CD2 LEU A 117 180.978 0.126 -9.576 1.00 0.00 C ATOM 0 H LEU A 117 177.445 -1.606 -10.088 1.00 0.00 H new ATOM 0 HA LEU A 117 180.186 -1.817 -11.278 1.00 0.00 H new ATOM 0 HB2 LEU A 117 178.922 -2.440 -8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.640 -2.434 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 117 178.842 -0.001 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 117 179.834 0.855 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 117 178.918 -0.643 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.696 -0.686 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 117 181.013 1.199 -9.388 1.00 0.00 H new ATOM 0 HD22 LEU A 117 181.873 -0.343 -9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 117 180.934 -0.053 -10.650 1.00 0.00 H new ATOM 605 N THR A 118 180.348 -4.341 -11.396 1.00 0.00 N ATOM 606 CA THR A 118 180.297 -5.807 -11.679 1.00 0.00 C ATOM 607 C THR A 118 181.164 -6.562 -10.670 1.00 0.00 C ATOM 608 O THR A 118 182.200 -6.069 -10.272 1.00 0.00 O ATOM 609 CB THR A 118 180.859 -5.959 -13.091 1.00 0.00 C ATOM 610 OG1 THR A 118 180.330 -4.935 -13.923 1.00 0.00 O ATOM 611 CG2 THR A 118 180.471 -7.327 -13.652 1.00 0.00 C ATOM 0 H THR A 118 181.245 -3.894 -11.584 1.00 0.00 H new ATOM 0 HA THR A 118 179.288 -6.211 -11.600 1.00 0.00 H new ATOM 0 HB THR A 118 181.945 -5.877 -13.061 1.00 0.00 H new ATOM 0 HG1 THR A 118 180.691 -5.030 -14.829 1.00 0.00 H new ATOM 0 HG21 THR A 118 180.873 -7.434 -14.660 1.00 0.00 H new ATOM 0 HG22 THR A 118 180.878 -8.111 -13.014 1.00 0.00 H new ATOM 0 HG23 THR A 118 179.385 -7.413 -13.683 1.00 0.00 H new ATOM 619 N ASP A 119 180.742 -7.728 -10.216 1.00 0.00 N ATOM 620 CA ASP A 119 181.534 -8.506 -9.190 1.00 0.00 C ATOM 621 C ASP A 119 183.052 -8.457 -9.442 1.00 0.00 C ATOM 622 O ASP A 119 183.837 -8.534 -8.515 1.00 0.00 O ATOM 623 CB ASP A 119 181.029 -9.944 -9.322 1.00 0.00 C ATOM 624 CG ASP A 119 181.504 -10.768 -8.122 1.00 0.00 C ATOM 625 OD1 ASP A 119 182.591 -10.502 -7.637 1.00 0.00 O ATOM 626 OD2 ASP A 119 180.771 -11.652 -7.710 1.00 0.00 O ATOM 0 H ASP A 119 179.877 -8.178 -10.514 1.00 0.00 H new ATOM 0 HA ASP A 119 181.393 -8.084 -8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.940 -9.954 -9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 119 181.397 -10.386 -10.248 1.00 0.00 H new ATOM 631 N ALA A 120 183.469 -8.283 -10.672 1.00 0.00 N ATOM 632 CA ALA A 120 184.933 -8.174 -10.959 1.00 0.00 C ATOM 633 C ALA A 120 185.494 -6.949 -10.229 1.00 0.00 C ATOM 634 O ALA A 120 186.445 -7.045 -9.477 1.00 0.00 O ATOM 635 CB ALA A 120 185.031 -7.979 -12.474 1.00 0.00 C ATOM 0 H ALA A 120 182.861 -8.212 -11.488 1.00 0.00 H new ATOM 0 HA ALA A 120 185.495 -9.048 -10.630 1.00 0.00 H new ATOM 0 HB1 ALA A 120 186.078 -7.891 -12.762 1.00 0.00 H new ATOM 0 HB2 ALA A 120 184.586 -8.835 -12.981 1.00 0.00 H new ATOM 0 HB3 ALA A 120 184.498 -7.072 -12.759 1.00 0.00 H new ATOM 641 N GLU A 121 184.894 -5.802 -10.432 1.00 0.00 N ATOM 642 CA GLU A 121 185.365 -4.565 -9.739 1.00 0.00 C ATOM 643 C GLU A 121 184.902 -4.562 -8.275 1.00 0.00 C ATOM 644 O GLU A 121 185.649 -4.222 -7.378 1.00 0.00 O ATOM 645 CB GLU A 121 184.722 -3.410 -10.508 1.00 0.00 C ATOM 646 CG GLU A 121 185.406 -3.258 -11.868 1.00 0.00 C ATOM 647 CD GLU A 121 184.654 -2.222 -12.706 1.00 0.00 C ATOM 648 OE1 GLU A 121 184.813 -1.043 -12.436 1.00 0.00 O ATOM 649 OE2 GLU A 121 183.933 -2.625 -13.603 1.00 0.00 O ATOM 0 H GLU A 121 184.094 -5.670 -11.051 1.00 0.00 H new ATOM 0 HA GLU A 121 186.452 -4.491 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.657 -3.598 -10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.812 -2.485 -9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 121 186.442 -2.949 -11.733 1.00 0.00 H new ATOM 0 HG3 GLU A 121 185.424 -4.217 -12.387 1.00 0.00 H new ATOM 656 N VAL A 122 183.672 -4.946 -8.036 1.00 0.00 N ATOM 657 CA VAL A 122 183.141 -4.978 -6.634 1.00 0.00 C ATOM 658 C VAL A 122 183.976 -5.929 -5.772 1.00 0.00 C ATOM 659 O VAL A 122 184.213 -5.662 -4.608 1.00 0.00 O ATOM 660 CB VAL A 122 181.694 -5.478 -6.748 1.00 0.00 C ATOM 661 CG1 VAL A 122 181.050 -5.527 -5.357 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.890 -4.526 -7.635 1.00 0.00 C ATOM 0 H VAL A 122 183.009 -5.240 -8.753 1.00 0.00 H new ATOM 0 HA VAL A 122 183.187 -3.997 -6.161 1.00 0.00 H new ATOM 0 HB VAL A 122 181.697 -6.476 -7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 122 180.023 -5.882 -5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.616 -6.205 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 122 181.053 -4.529 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.863 -4.883 -7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.895 -3.528 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 122 181.339 -4.487 -8.628 1.00 0.00 H new ATOM 672 N ASP A 123 184.433 -7.028 -6.324 1.00 0.00 N ATOM 673 CA ASP A 123 185.262 -7.973 -5.512 1.00 0.00 C ATOM 674 C ASP A 123 186.555 -7.268 -5.089 1.00 0.00 C ATOM 675 O ASP A 123 187.023 -7.422 -3.977 1.00 0.00 O ATOM 676 CB ASP A 123 185.547 -9.170 -6.421 1.00 0.00 C ATOM 677 CG ASP A 123 186.395 -10.198 -5.668 1.00 0.00 C ATOM 678 OD1 ASP A 123 186.090 -10.458 -4.516 1.00 0.00 O ATOM 679 OD2 ASP A 123 187.335 -10.706 -6.256 1.00 0.00 O ATOM 0 H ASP A 123 184.270 -7.309 -7.291 1.00 0.00 H new ATOM 0 HA ASP A 123 184.759 -8.300 -4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.611 -9.624 -6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 123 186.070 -8.841 -7.319 1.00 0.00 H new ATOM 684 N GLU A 124 187.114 -6.471 -5.965 1.00 0.00 N ATOM 685 CA GLU A 124 188.360 -5.719 -5.617 1.00 0.00 C ATOM 686 C GLU A 124 188.066 -4.755 -4.464 1.00 0.00 C ATOM 687 O GLU A 124 188.774 -4.715 -3.476 1.00 0.00 O ATOM 688 CB GLU A 124 188.721 -4.934 -6.882 1.00 0.00 C ATOM 689 CG GLU A 124 189.095 -5.910 -8.000 1.00 0.00 C ATOM 690 CD GLU A 124 190.382 -6.647 -7.626 1.00 0.00 C ATOM 691 OE1 GLU A 124 191.388 -5.983 -7.437 1.00 0.00 O ATOM 692 OE2 GLU A 124 190.340 -7.863 -7.536 1.00 0.00 O ATOM 0 H GLU A 124 186.761 -6.308 -6.908 1.00 0.00 H new ATOM 0 HA GLU A 124 189.171 -6.376 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 124 187.879 -4.315 -7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.554 -4.260 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 124 188.287 -6.625 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 124 189.232 -5.371 -8.937 1.00 0.00 H new ATOM 699 N LEU A 125 187.017 -3.982 -4.592 1.00 0.00 N ATOM 700 CA LEU A 125 186.647 -3.013 -3.515 1.00 0.00 C ATOM 701 C LEU A 125 186.375 -3.756 -2.205 1.00 0.00 C ATOM 702 O LEU A 125 186.880 -3.404 -1.157 1.00 0.00 O ATOM 703 CB LEU A 125 185.362 -2.347 -4.014 1.00 0.00 C ATOM 704 CG LEU A 125 185.683 -1.439 -5.202 1.00 0.00 C ATOM 705 CD1 LEU A 125 184.383 -0.893 -5.795 1.00 0.00 C ATOM 706 CD2 LEU A 125 186.557 -0.274 -4.732 1.00 0.00 C ATOM 0 H LEU A 125 186.397 -3.981 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 125 187.441 -2.292 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 125 184.638 -3.106 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 125 184.906 -1.766 -3.212 1.00 0.00 H new ATOM 0 HG LEU A 125 186.216 -2.011 -5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 125 184.613 -0.246 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 125 183.760 -1.722 -6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 125 183.849 -0.321 -5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 125 186.786 0.374 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 125 186.024 0.297 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 125 187.484 -0.662 -4.310 1.00 0.00 H new ATOM 718 N LEU A 126 185.565 -4.781 -2.273 1.00 0.00 N ATOM 719 CA LEU A 126 185.227 -5.569 -1.047 1.00 0.00 C ATOM 720 C LEU A 126 186.476 -6.229 -0.448 1.00 0.00 C ATOM 721 O LEU A 126 186.457 -6.701 0.672 1.00 0.00 O ATOM 722 CB LEU A 126 184.248 -6.645 -1.524 1.00 0.00 C ATOM 723 CG LEU A 126 182.868 -6.025 -1.744 1.00 0.00 C ATOM 724 CD1 LEU A 126 181.989 -7.004 -2.524 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.220 -5.731 -0.389 1.00 0.00 C ATOM 0 H LEU A 126 185.120 -5.109 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 126 184.806 -4.932 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.608 -7.093 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.184 -7.445 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 126 182.972 -5.098 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 126 181.005 -6.563 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.450 -7.217 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 126 181.885 -7.930 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.236 -5.289 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 126 182.116 -6.659 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 126 182.846 -5.036 0.170 1.00 0.00 H new ATOM 737 N LYS A 127 187.546 -6.307 -1.201 1.00 0.00 N ATOM 738 CA LYS A 127 188.782 -6.985 -0.695 1.00 0.00 C ATOM 739 C LYS A 127 189.287 -6.353 0.610 1.00 0.00 C ATOM 740 O LYS A 127 190.083 -6.945 1.316 1.00 0.00 O ATOM 741 CB LYS A 127 189.820 -6.781 -1.801 1.00 0.00 C ATOM 742 CG LYS A 127 191.036 -7.670 -1.532 1.00 0.00 C ATOM 743 CD LYS A 127 190.758 -9.083 -2.049 1.00 0.00 C ATOM 744 CE LYS A 127 191.974 -9.973 -1.783 1.00 0.00 C ATOM 745 NZ LYS A 127 191.542 -11.342 -2.178 1.00 0.00 N ATOM 0 H LYS A 127 187.618 -5.930 -2.146 1.00 0.00 H new ATOM 0 HA LYS A 127 188.591 -8.035 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 127 189.386 -7.024 -2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 127 190.123 -5.735 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 127 191.917 -7.258 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 127 191.251 -7.698 -0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 127 189.878 -9.495 -1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 127 190.541 -9.055 -3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 127 192.836 -9.648 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 127 192.266 -9.939 -0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 192.324 -12.011 -2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 190.724 -11.627 -1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 191.276 -11.346 -3.183 1.00 0.00 H new ATOM 759 N GLY A 128 188.848 -5.158 0.935 1.00 0.00 N ATOM 760 CA GLY A 128 189.324 -4.502 2.190 1.00 0.00 C ATOM 761 C GLY A 128 188.175 -4.338 3.198 1.00 0.00 C ATOM 762 O GLY A 128 188.406 -3.988 4.341 1.00 0.00 O ATOM 0 H GLY A 128 188.183 -4.613 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.121 -5.097 2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 128 189.748 -3.526 1.956 1.00 0.00 H new ATOM 766 N VAL A 129 186.945 -4.575 2.798 1.00 0.00 N ATOM 767 CA VAL A 129 185.806 -4.413 3.757 1.00 0.00 C ATOM 768 C VAL A 129 185.830 -5.519 4.823 1.00 0.00 C ATOM 769 O VAL A 129 186.048 -6.681 4.538 1.00 0.00 O ATOM 770 CB VAL A 129 184.526 -4.466 2.905 1.00 0.00 C ATOM 771 CG1 VAL A 129 184.299 -5.883 2.352 1.00 0.00 C ATOM 772 CG2 VAL A 129 183.330 -4.056 3.770 1.00 0.00 C ATOM 0 H VAL A 129 186.684 -4.871 1.857 1.00 0.00 H new ATOM 0 HA VAL A 129 185.867 -3.472 4.303 1.00 0.00 H new ATOM 0 HB VAL A 129 184.633 -3.780 2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 129 183.389 -5.898 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 129 185.147 -6.171 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 129 184.200 -6.585 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 129 182.419 -4.091 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 129 183.238 -4.742 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 129 183.480 -3.043 4.142 1.00 0.00 H new ATOM 782 N GLU A 130 185.617 -5.136 6.053 1.00 0.00 N ATOM 783 CA GLU A 130 185.630 -6.114 7.179 1.00 0.00 C ATOM 784 C GLU A 130 184.210 -6.424 7.662 1.00 0.00 C ATOM 785 O GLU A 130 183.621 -5.677 8.419 1.00 0.00 O ATOM 786 CB GLU A 130 186.420 -5.415 8.286 1.00 0.00 C ATOM 787 CG GLU A 130 186.627 -6.381 9.455 1.00 0.00 C ATOM 788 CD GLU A 130 187.489 -5.711 10.526 1.00 0.00 C ATOM 789 OE1 GLU A 130 186.994 -4.805 11.175 1.00 0.00 O ATOM 790 OE2 GLU A 130 188.630 -6.116 10.678 1.00 0.00 O ATOM 0 H GLU A 130 185.432 -4.172 6.329 1.00 0.00 H new ATOM 0 HA GLU A 130 186.069 -7.066 6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 130 187.384 -5.079 7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 130 185.885 -4.528 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 130 185.664 -6.670 9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 130 187.108 -7.294 9.105 1.00 0.00 H new ATOM 797 N VAL A 131 183.675 -7.543 7.246 1.00 0.00 N ATOM 798 CA VAL A 131 182.311 -7.948 7.689 1.00 0.00 C ATOM 799 C VAL A 131 182.416 -8.656 9.045 1.00 0.00 C ATOM 800 O VAL A 131 183.470 -9.142 9.413 1.00 0.00 O ATOM 801 CB VAL A 131 181.800 -8.902 6.599 1.00 0.00 C ATOM 802 CG1 VAL A 131 182.735 -10.112 6.459 1.00 0.00 C ATOM 803 CG2 VAL A 131 180.399 -9.385 6.970 1.00 0.00 C ATOM 0 H VAL A 131 184.131 -8.199 6.612 1.00 0.00 H new ATOM 0 HA VAL A 131 181.633 -7.104 7.817 1.00 0.00 H new ATOM 0 HB VAL A 131 181.773 -8.369 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 131 182.356 -10.776 5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 131 183.734 -9.770 6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 131 182.779 -10.649 7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 131 180.032 -10.063 6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 131 180.436 -9.908 7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 131 179.729 -8.529 7.050 1.00 0.00 H new ATOM 813 N ASP A 132 181.345 -8.701 9.796 1.00 0.00 N ATOM 814 CA ASP A 132 181.398 -9.360 11.138 1.00 0.00 C ATOM 815 C ASP A 132 180.925 -10.816 11.064 1.00 0.00 C ATOM 816 O ASP A 132 180.591 -11.327 10.013 1.00 0.00 O ATOM 817 CB ASP A 132 180.455 -8.537 12.016 1.00 0.00 C ATOM 818 CG ASP A 132 181.020 -7.127 12.193 1.00 0.00 C ATOM 819 OD1 ASP A 132 182.160 -7.016 12.613 1.00 0.00 O ATOM 820 OD2 ASP A 132 180.304 -6.182 11.904 1.00 0.00 O ATOM 0 H ASP A 132 180.438 -8.311 9.540 1.00 0.00 H new ATOM 0 HA ASP A 132 182.414 -9.391 11.531 1.00 0.00 H new ATOM 0 HB2 ASP A 132 179.466 -8.489 11.560 1.00 0.00 H new ATOM 0 HB3 ASP A 132 180.335 -9.016 12.988 1.00 0.00 H new ATOM 825 N SER A 133 180.914 -11.481 12.192 1.00 0.00 N ATOM 826 CA SER A 133 180.484 -12.916 12.238 1.00 0.00 C ATOM 827 C SER A 133 178.969 -13.073 12.007 1.00 0.00 C ATOM 828 O SER A 133 178.466 -14.181 11.964 1.00 0.00 O ATOM 829 CB SER A 133 180.858 -13.396 13.640 1.00 0.00 C ATOM 830 OG SER A 133 182.165 -13.954 13.612 1.00 0.00 O ATOM 0 H SER A 133 181.187 -11.088 13.093 1.00 0.00 H new ATOM 0 HA SER A 133 180.967 -13.495 11.451 1.00 0.00 H new ATOM 0 HB2 SER A 133 180.820 -12.565 14.344 1.00 0.00 H new ATOM 0 HB3 SER A 133 180.140 -14.139 13.986 1.00 0.00 H new ATOM 0 HG SER A 133 182.409 -14.261 14.510 1.00 0.00 H new ATOM 836 N ASN A 134 178.241 -11.994 11.835 1.00 0.00 N ATOM 837 CA ASN A 134 176.773 -12.107 11.582 1.00 0.00 C ATOM 838 C ASN A 134 176.455 -11.780 10.114 1.00 0.00 C ATOM 839 O ASN A 134 175.355 -12.014 9.649 1.00 0.00 O ATOM 840 CB ASN A 134 176.122 -11.091 12.520 1.00 0.00 C ATOM 841 CG ASN A 134 174.689 -11.528 12.830 1.00 0.00 C ATOM 842 OD1 ASN A 134 174.458 -12.647 13.243 1.00 0.00 O ATOM 843 ND2 ASN A 134 173.709 -10.686 12.646 1.00 0.00 N ATOM 0 H ASN A 134 178.603 -11.041 11.859 1.00 0.00 H new ATOM 0 HA ASN A 134 176.403 -13.116 11.764 1.00 0.00 H new ATOM 0 HB2 ASN A 134 176.697 -11.011 13.443 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.121 -10.103 12.059 1.00 0.00 H new ATOM 0 HD21 ASN A 134 172.750 -10.968 12.849 1.00 0.00 H new ATOM 0 HD22 ASN A 134 173.902 -9.746 12.299 1.00 0.00 H new ATOM 850 N GLY A 135 177.407 -11.250 9.378 1.00 0.00 N ATOM 851 CA GLY A 135 177.155 -10.921 7.943 1.00 0.00 C ATOM 852 C GLY A 135 176.600 -9.501 7.821 1.00 0.00 C ATOM 853 O GLY A 135 175.884 -9.186 6.889 1.00 0.00 O ATOM 0 H GLY A 135 178.346 -11.033 9.713 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.080 -11.009 7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.449 -11.634 7.517 1.00 0.00 H new ATOM 857 N GLU A 136 176.917 -8.646 8.762 1.00 0.00 N ATOM 858 CA GLU A 136 176.399 -7.248 8.711 1.00 0.00 C ATOM 859 C GLU A 136 177.524 -6.253 8.419 1.00 0.00 C ATOM 860 O GLU A 136 178.611 -6.341 8.957 1.00 0.00 O ATOM 861 CB GLU A 136 175.803 -6.991 10.095 1.00 0.00 C ATOM 862 CG GLU A 136 174.443 -7.687 10.204 1.00 0.00 C ATOM 863 CD GLU A 136 173.812 -7.401 11.573 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.544 -7.059 12.490 1.00 0.00 O ATOM 865 OE2 GLU A 136 172.604 -7.535 11.683 1.00 0.00 O ATOM 0 H GLU A 136 177.512 -8.858 9.563 1.00 0.00 H new ATOM 0 HA GLU A 136 175.664 -7.122 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.476 -7.363 10.867 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.689 -5.920 10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 136 173.782 -7.338 9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 136 174.564 -8.762 10.068 1.00 0.00 H new ATOM 872 N ILE A 137 177.247 -5.300 7.572 1.00 0.00 N ATOM 873 CA ILE A 137 178.261 -4.265 7.222 1.00 0.00 C ATOM 874 C ILE A 137 177.649 -2.877 7.443 1.00 0.00 C ATOM 875 O ILE A 137 176.455 -2.746 7.640 1.00 0.00 O ATOM 876 CB ILE A 137 178.582 -4.511 5.742 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.260 -5.877 5.593 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.529 -3.424 5.220 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.201 -6.971 5.430 1.00 0.00 C ATOM 0 H ILE A 137 176.349 -5.193 7.101 1.00 0.00 H new ATOM 0 HA ILE A 137 179.164 -4.318 7.830 1.00 0.00 H new ATOM 0 HB ILE A 137 177.656 -4.487 5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 137 179.924 -5.870 4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 137 179.877 -6.084 6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 137 179.750 -3.608 4.169 1.00 0.00 H new ATOM 0 HG22 ILE A 137 179.056 -2.448 5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.455 -3.442 5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 137 178.691 -7.939 5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 137 177.554 -6.985 6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 137 177.603 -6.769 4.542 1.00 0.00 H new ATOM 891 N ASP A 138 178.453 -1.845 7.408 1.00 0.00 N ATOM 892 CA ASP A 138 177.909 -0.469 7.614 1.00 0.00 C ATOM 893 C ASP A 138 177.640 0.194 6.258 1.00 0.00 C ATOM 894 O ASP A 138 178.554 0.471 5.505 1.00 0.00 O ATOM 895 CB ASP A 138 179.005 0.282 8.371 1.00 0.00 C ATOM 896 CG ASP A 138 178.494 1.669 8.766 1.00 0.00 C ATOM 897 OD1 ASP A 138 178.301 2.483 7.878 1.00 0.00 O ATOM 898 OD2 ASP A 138 178.304 1.894 9.950 1.00 0.00 O ATOM 0 H ASP A 138 179.459 -1.895 7.246 1.00 0.00 H new ATOM 0 HA ASP A 138 176.967 -0.472 8.163 1.00 0.00 H new ATOM 0 HB2 ASP A 138 179.296 -0.277 9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 138 179.894 0.374 7.748 1.00 0.00 H new ATOM 903 N TYR A 139 176.393 0.423 5.934 1.00 0.00 N ATOM 904 CA TYR A 139 176.056 1.040 4.613 1.00 0.00 C ATOM 905 C TYR A 139 176.643 2.454 4.482 1.00 0.00 C ATOM 906 O TYR A 139 176.928 2.906 3.390 1.00 0.00 O ATOM 907 CB TYR A 139 174.516 1.067 4.556 1.00 0.00 C ATOM 908 CG TYR A 139 173.948 2.039 5.567 1.00 0.00 C ATOM 909 CD1 TYR A 139 173.649 1.609 6.864 1.00 0.00 C ATOM 910 CD2 TYR A 139 173.713 3.369 5.198 1.00 0.00 C ATOM 911 CE1 TYR A 139 173.117 2.509 7.793 1.00 0.00 C ATOM 912 CE2 TYR A 139 173.179 4.268 6.127 1.00 0.00 C ATOM 913 CZ TYR A 139 172.882 3.839 7.425 1.00 0.00 C ATOM 914 OH TYR A 139 172.356 4.725 8.343 1.00 0.00 O ATOM 0 H TYR A 139 175.591 0.209 6.528 1.00 0.00 H new ATOM 0 HA TYR A 139 176.482 0.470 3.787 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.191 1.349 3.554 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.125 0.068 4.748 1.00 0.00 H new ATOM 0 HD1 TYR A 139 173.829 0.583 7.148 1.00 0.00 H new ATOM 0 HD2 TYR A 139 173.944 3.701 4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 139 172.887 2.178 8.795 1.00 0.00 H new ATOM 0 HE2 TYR A 139 172.996 5.294 5.842 1.00 0.00 H new ATOM 0 HH TYR A 139 172.679 5.629 8.147 1.00 0.00 H new ATOM 924 N LYS A 140 176.807 3.160 5.574 1.00 0.00 N ATOM 925 CA LYS A 140 177.355 4.549 5.483 1.00 0.00 C ATOM 926 C LYS A 140 178.853 4.518 5.164 1.00 0.00 C ATOM 927 O LYS A 140 179.376 5.384 4.490 1.00 0.00 O ATOM 928 CB LYS A 140 177.125 5.171 6.864 1.00 0.00 C ATOM 929 CG LYS A 140 175.867 6.043 6.841 1.00 0.00 C ATOM 930 CD LYS A 140 176.088 7.286 7.707 1.00 0.00 C ATOM 931 CE LYS A 140 174.759 8.021 7.896 1.00 0.00 C ATOM 932 NZ LYS A 140 175.073 9.153 8.812 1.00 0.00 N ATOM 0 H LYS A 140 176.587 2.838 6.517 1.00 0.00 H new ATOM 0 HA LYS A 140 176.870 5.119 4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 140 177.020 4.386 7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 140 177.989 5.771 7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 140 175.635 6.337 5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 140 175.013 5.476 7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 140 176.498 6.999 8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 140 176.816 7.946 7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 140 174.367 8.380 6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 140 174.002 7.364 8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 174.210 9.705 8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 175.437 8.780 9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 175.791 9.765 8.374 1.00 0.00 H new ATOM 946 N LYS A 141 179.546 3.534 5.677 1.00 0.00 N ATOM 947 CA LYS A 141 181.022 3.441 5.449 1.00 0.00 C ATOM 948 C LYS A 141 181.362 3.083 3.998 1.00 0.00 C ATOM 949 O LYS A 141 182.253 3.663 3.406 1.00 0.00 O ATOM 950 CB LYS A 141 181.501 2.333 6.390 1.00 0.00 C ATOM 951 CG LYS A 141 181.408 2.816 7.838 1.00 0.00 C ATOM 952 CD LYS A 141 182.450 3.911 8.078 1.00 0.00 C ATOM 953 CE LYS A 141 182.655 4.101 9.583 1.00 0.00 C ATOM 954 NZ LYS A 141 183.504 5.319 9.704 1.00 0.00 N ATOM 0 H LYS A 141 179.152 2.786 6.247 1.00 0.00 H new ATOM 0 HA LYS A 141 181.505 4.399 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 141 180.893 1.438 6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.529 2.059 6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 141 180.408 3.200 8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 141 181.575 1.984 8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 141 183.393 3.640 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 141 182.121 4.846 7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 141 181.703 4.230 10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 141 183.143 3.234 10.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 183.689 5.515 10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 184.406 5.164 9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 183.011 6.130 9.278 1.00 0.00 H new ATOM 968 N PHE A 142 180.691 2.107 3.436 1.00 0.00 N ATOM 969 CA PHE A 142 181.017 1.686 2.038 1.00 0.00 C ATOM 970 C PHE A 142 180.580 2.750 1.036 1.00 0.00 C ATOM 971 O PHE A 142 181.175 2.901 -0.013 1.00 0.00 O ATOM 972 CB PHE A 142 180.271 0.371 1.810 1.00 0.00 C ATOM 973 CG PHE A 142 180.697 -0.236 0.493 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.057 -0.431 0.216 1.00 0.00 C ATOM 975 CD2 PHE A 142 179.732 -0.613 -0.448 1.00 0.00 C ATOM 976 CE1 PHE A 142 182.450 -1.000 -1.000 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.126 -1.185 -1.666 1.00 0.00 C ATOM 978 CZ PHE A 142 181.485 -1.378 -1.941 1.00 0.00 C ATOM 0 H PHE A 142 179.936 1.586 3.882 1.00 0.00 H new ATOM 0 HA PHE A 142 182.090 1.557 1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 142 180.479 -0.322 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.195 0.548 1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 142 182.802 -0.142 0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 142 178.684 -0.463 -0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 142 183.498 -1.148 -1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 142 179.381 -1.477 -2.392 1.00 0.00 H new ATOM 0 HZ PHE A 142 181.789 -1.818 -2.879 1.00 0.00 H new ATOM 988 N ILE A 143 179.567 3.507 1.359 1.00 0.00 N ATOM 989 CA ILE A 143 179.107 4.588 0.439 1.00 0.00 C ATOM 990 C ILE A 143 180.095 5.762 0.494 1.00 0.00 C ATOM 991 O ILE A 143 180.501 6.279 -0.530 1.00 0.00 O ATOM 992 CB ILE A 143 177.716 4.979 0.965 1.00 0.00 C ATOM 993 CG1 ILE A 143 176.731 3.824 0.711 1.00 0.00 C ATOM 994 CG2 ILE A 143 177.212 6.251 0.275 1.00 0.00 C ATOM 995 CD1 ILE A 143 176.556 3.582 -0.795 1.00 0.00 C ATOM 0 H ILE A 143 179.035 3.423 2.225 1.00 0.00 H new ATOM 0 HA ILE A 143 179.058 4.279 -0.605 1.00 0.00 H new ATOM 0 HB ILE A 143 177.788 5.174 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 143 177.096 2.916 1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 143 175.766 4.056 1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 143 176.226 6.509 0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 143 177.904 7.070 0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 143 177.146 6.080 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 143 175.856 2.762 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 143 176.169 4.485 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 143 177.519 3.327 -1.237 1.00 0.00 H new ATOM 1007 N GLU A 144 180.500 6.175 1.669 1.00 0.00 N ATOM 1008 CA GLU A 144 181.481 7.305 1.770 1.00 0.00 C ATOM 1009 C GLU A 144 182.782 6.935 1.050 1.00 0.00 C ATOM 1010 O GLU A 144 183.489 7.797 0.561 1.00 0.00 O ATOM 1011 CB GLU A 144 181.733 7.491 3.267 1.00 0.00 C ATOM 1012 CG GLU A 144 180.488 8.090 3.926 1.00 0.00 C ATOM 1013 CD GLU A 144 180.692 8.171 5.441 1.00 0.00 C ATOM 1014 OE1 GLU A 144 181.826 8.331 5.862 1.00 0.00 O ATOM 1015 OE2 GLU A 144 179.708 8.070 6.156 1.00 0.00 O ATOM 0 H GLU A 144 180.197 5.782 2.560 1.00 0.00 H new ATOM 0 HA GLU A 144 181.105 8.218 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 144 181.975 6.533 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 144 182.590 8.146 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 144 180.294 9.084 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 144 179.615 7.478 3.699 1.00 0.00 H new ATOM 1022 N ASP A 145 183.097 5.665 0.965 1.00 0.00 N ATOM 1023 CA ASP A 145 184.346 5.254 0.255 1.00 0.00 C ATOM 1024 C ASP A 145 184.068 5.038 -1.243 1.00 0.00 C ATOM 1025 O ASP A 145 184.986 4.962 -2.038 1.00 0.00 O ATOM 1026 CB ASP A 145 184.811 3.964 0.933 1.00 0.00 C ATOM 1027 CG ASP A 145 186.120 3.493 0.297 1.00 0.00 C ATOM 1028 OD1 ASP A 145 186.079 3.057 -0.842 1.00 0.00 O ATOM 1029 OD2 ASP A 145 187.141 3.577 0.959 1.00 0.00 O ATOM 0 H ASP A 145 182.546 4.900 1.355 1.00 0.00 H new ATOM 0 HA ASP A 145 185.118 6.021 0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 145 184.954 4.133 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 145 184.048 3.193 0.832 1.00 0.00 H new ATOM 1034 N VAL A 146 182.817 4.986 -1.642 1.00 0.00 N ATOM 1035 CA VAL A 146 182.496 4.832 -3.094 1.00 0.00 C ATOM 1036 C VAL A 146 182.241 6.232 -3.670 1.00 0.00 C ATOM 1037 O VAL A 146 182.669 6.565 -4.758 1.00 0.00 O ATOM 1038 CB VAL A 146 181.236 3.954 -3.135 1.00 0.00 C ATOM 1039 CG1 VAL A 146 180.671 3.901 -4.560 1.00 0.00 C ATOM 1040 CG2 VAL A 146 181.598 2.536 -2.690 1.00 0.00 C ATOM 0 H VAL A 146 182.008 5.044 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 146 183.292 4.374 -3.681 1.00 0.00 H new ATOM 0 HB VAL A 146 180.486 4.379 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 146 179.778 3.275 -4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 146 180.413 4.908 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 146 181.419 3.481 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 146 180.708 1.908 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 146 182.352 2.125 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 146 181.992 2.563 -1.674 1.00 0.00 H new ATOM 1050 N LEU A 147 181.556 7.051 -2.916 1.00 0.00 N ATOM 1051 CA LEU A 147 181.263 8.451 -3.358 1.00 0.00 C ATOM 1052 C LEU A 147 182.553 9.207 -3.708 1.00 0.00 C ATOM 1053 O LEU A 147 182.525 10.189 -4.425 1.00 0.00 O ATOM 1054 CB LEU A 147 180.568 9.111 -2.160 1.00 0.00 C ATOM 1055 CG LEU A 147 179.061 9.202 -2.419 1.00 0.00 C ATOM 1056 CD1 LEU A 147 178.464 7.792 -2.525 1.00 0.00 C ATOM 1057 CD2 LEU A 147 178.396 9.958 -1.264 1.00 0.00 C ATOM 0 H LEU A 147 181.181 6.808 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 147 180.646 8.464 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 147 180.756 8.533 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 147 180.978 10.107 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 147 178.885 9.733 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 147 177.392 7.864 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 147 178.939 7.257 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 147 178.637 7.253 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 147 177.323 10.026 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 147 178.575 9.426 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 147 178.816 10.961 -1.196 1.00 0.00 H new ATOM 1069 N ARG A 148 183.679 8.758 -3.209 1.00 0.00 N ATOM 1070 CA ARG A 148 184.971 9.453 -3.516 1.00 0.00 C ATOM 1071 C ARG A 148 185.220 9.472 -5.027 1.00 0.00 C ATOM 1072 O ARG A 148 185.685 10.454 -5.575 1.00 0.00 O ATOM 1073 CB ARG A 148 186.052 8.626 -2.814 1.00 0.00 C ATOM 1074 CG ARG A 148 186.089 8.985 -1.328 1.00 0.00 C ATOM 1075 CD ARG A 148 187.172 8.156 -0.631 1.00 0.00 C ATOM 1076 NE ARG A 148 187.514 8.922 0.601 1.00 0.00 N ATOM 1077 CZ ARG A 148 188.639 8.689 1.221 1.00 0.00 C ATOM 1078 NH1 ARG A 148 189.773 8.816 0.587 1.00 0.00 N ATOM 1079 NH2 ARG A 148 188.629 8.330 2.475 1.00 0.00 N ATOM 0 H ARG A 148 183.761 7.942 -2.603 1.00 0.00 H new ATOM 0 HA ARG A 148 184.964 10.489 -3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 148 185.847 7.562 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 148 187.024 8.818 -3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 148 186.294 10.048 -1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 148 185.118 8.792 -0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 148 186.808 7.158 -0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 148 188.045 8.029 -1.271 1.00 0.00 H new ATOM 0 HE ARG A 148 186.870 9.627 0.959 1.00 0.00 H new ATOM 0 HH11 ARG A 148 189.780 9.097 -0.393 1.00 0.00 H new ATOM 0 HH12 ARG A 148 190.652 8.634 1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 148 187.743 8.232 2.970 1.00 0.00 H new ATOM 0 HH22 ARG A 148 189.507 8.148 2.960 1.00 0.00 H new ATOM 1093 N GLN A 149 184.916 8.392 -5.701 1.00 0.00 N ATOM 1094 CA GLN A 149 185.132 8.337 -7.178 1.00 0.00 C ATOM 1095 C GLN A 149 184.054 7.473 -7.838 1.00 0.00 C ATOM 1096 O GLN A 149 183.713 7.752 -8.976 1.00 0.00 O ATOM 1097 CB GLN A 149 186.511 7.700 -7.352 1.00 0.00 C ATOM 1098 CG GLN A 149 186.929 7.779 -8.823 1.00 0.00 C ATOM 1099 CD GLN A 149 188.324 7.171 -8.996 1.00 0.00 C ATOM 1100 OE1 GLN A 149 189.078 7.064 -8.048 1.00 0.00 O ATOM 1101 NE2 GLN A 149 188.703 6.765 -10.177 1.00 0.00 N ATOM 1102 OXT GLN A 149 183.588 6.548 -7.194 1.00 0.00 O ATOM 0 H GLN A 149 184.526 7.544 -5.290 1.00 0.00 H new ATOM 0 HA GLN A 149 185.076 9.322 -7.641 1.00 0.00 H new ATOM 0 HB2 GLN A 149 187.242 8.214 -6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 149 186.487 6.660 -7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 149 186.210 7.246 -9.445 1.00 0.00 H new ATOM 0 HG3 GLN A 149 186.930 8.817 -9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 149 188.072 6.854 -10.974 1.00 0.00 H new ATOM 0 HE22 GLN A 149 189.630 6.359 -10.303 1.00 0.00 H new TER 1111 GLN A 149