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= 0.46 K(o=1.5,f=-1.9) USER MOD Set 1.2: A 139 TYR OH : rot 115:sc= 1 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= 0.0455 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 23:sc= -0.107! USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 100 LYS NZ :NH3+ -113:sc= 0.623 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0809 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 150:sc= -0.547 (180deg=-2.06!) USER MOD Single : A 111 THR OG1 : rot 102:sc= 1.2 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= 0.0969 USER MOD Single : A 134 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.033!) 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=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 80 177.718 16.382 -7.418 1.00 0.00 N ATOM 2 CA LYS A 80 176.451 16.496 -8.196 1.00 0.00 C ATOM 3 C LYS A 80 175.259 16.079 -7.331 1.00 0.00 C ATOM 4 O LYS A 80 174.206 16.688 -7.359 1.00 0.00 O ATOM 5 CB LYS A 80 176.622 15.532 -9.372 1.00 0.00 C ATOM 6 CG LYS A 80 177.098 16.304 -10.605 1.00 0.00 C ATOM 7 CD LYS A 80 175.891 16.695 -11.462 1.00 0.00 C ATOM 8 CE LYS A 80 175.513 15.528 -12.376 1.00 0.00 C ATOM 9 NZ LYS A 80 174.622 16.121 -13.411 1.00 0.00 N ATOM 0 HA LYS A 80 176.261 17.517 -8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.343 14.755 -9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 80 175.677 15.032 -9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 80 177.645 17.196 -10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 80 177.787 15.692 -11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 80 175.048 16.958 -10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 80 176.126 17.577 -12.059 1.00 0.00 H new ATOM 0 HE2 LYS A 80 176.397 15.078 -12.827 1.00 0.00 H new ATOM 0 HE3 LYS A 80 175.003 14.741 -11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 174.321 15.380 -14.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 173.786 16.536 -12.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 175.136 16.862 -13.928 1.00 0.00 H new ATOM 23 N ALA A 81 175.432 15.035 -6.566 1.00 0.00 N ATOM 24 CA ALA A 81 174.341 14.532 -5.682 1.00 0.00 C ATOM 25 C ALA A 81 174.720 14.717 -4.210 1.00 0.00 C ATOM 26 O ALA A 81 175.880 14.888 -3.883 1.00 0.00 O ATOM 27 CB ALA A 81 174.242 13.043 -6.011 1.00 0.00 C ATOM 0 H ALA A 81 176.299 14.500 -6.516 1.00 0.00 H new ATOM 0 HA ALA A 81 173.402 15.062 -5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 81 173.460 12.587 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 81 174.001 12.919 -7.067 1.00 0.00 H new ATOM 0 HB3 ALA A 81 175.195 12.559 -5.797 1.00 0.00 H new ATOM 33 N LYS A 82 173.758 14.697 -3.321 1.00 0.00 N ATOM 34 CA LYS A 82 174.067 14.884 -1.876 1.00 0.00 C ATOM 35 C LYS A 82 173.922 13.569 -1.111 1.00 0.00 C ATOM 36 O LYS A 82 173.273 12.640 -1.551 1.00 0.00 O ATOM 37 CB LYS A 82 173.041 15.906 -1.383 1.00 0.00 C ATOM 38 CG LYS A 82 173.322 17.264 -2.029 1.00 0.00 C ATOM 39 CD LYS A 82 174.486 17.943 -1.305 1.00 0.00 C ATOM 40 CE LYS A 82 174.777 19.295 -1.960 1.00 0.00 C ATOM 41 NZ LYS A 82 173.852 20.252 -1.292 1.00 0.00 N ATOM 0 H LYS A 82 172.771 14.559 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 82 175.093 15.219 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 82 172.033 15.574 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 82 173.089 15.991 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 82 173.563 17.134 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 82 172.433 17.893 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 82 174.241 18.082 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 82 175.372 17.309 -1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 82 175.818 19.587 -1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 82 174.600 19.259 -3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 173.992 21.204 -1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 172.869 19.952 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 174.049 20.270 -0.271 1.00 0.00 H new ATOM 55 N THR A 83 174.536 13.504 0.046 1.00 0.00 N ATOM 56 CA THR A 83 174.462 12.263 0.886 1.00 0.00 C ATOM 57 C THR A 83 172.995 11.846 1.055 1.00 0.00 C ATOM 58 O THR A 83 172.673 10.682 1.182 1.00 0.00 O ATOM 59 CB THR A 83 175.078 12.653 2.233 1.00 0.00 C ATOM 60 OG1 THR A 83 176.279 13.378 2.008 1.00 0.00 O ATOM 61 CG2 THR A 83 175.386 11.395 3.052 1.00 0.00 C ATOM 0 H THR A 83 175.089 14.261 0.448 1.00 0.00 H new ATOM 0 HA THR A 83 174.987 11.419 0.438 1.00 0.00 H new ATOM 0 HB THR A 83 174.372 13.273 2.785 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.675 13.631 2.868 1.00 0.00 H new ATOM 0 HG21 THR A 83 175.824 11.682 4.008 1.00 0.00 H new ATOM 0 HG22 THR A 83 174.464 10.840 3.227 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.089 10.768 2.504 1.00 0.00 H new ATOM 69 N GLU A 84 172.111 12.810 1.051 1.00 0.00 N ATOM 70 CA GLU A 84 170.650 12.524 1.202 1.00 0.00 C ATOM 71 C GLU A 84 170.181 11.471 0.189 1.00 0.00 C ATOM 72 O GLU A 84 169.346 10.639 0.490 1.00 0.00 O ATOM 73 CB GLU A 84 169.964 13.860 0.906 1.00 0.00 C ATOM 74 CG GLU A 84 170.246 14.844 2.043 1.00 0.00 C ATOM 75 CD GLU A 84 169.564 16.180 1.743 1.00 0.00 C ATOM 76 OE1 GLU A 84 169.655 16.629 0.613 1.00 0.00 O ATOM 77 OE2 GLU A 84 168.960 16.731 2.649 1.00 0.00 O ATOM 0 H GLU A 84 172.342 13.798 0.948 1.00 0.00 H new ATOM 0 HA GLU A 84 170.419 12.132 2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 84 170.327 14.266 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 84 168.890 13.712 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 84 169.879 14.440 2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 84 171.321 14.989 2.154 1.00 0.00 H new ATOM 84 N ASP A 85 170.711 11.508 -1.006 1.00 0.00 N ATOM 85 CA ASP A 85 170.295 10.511 -2.042 1.00 0.00 C ATOM 86 C ASP A 85 170.626 9.094 -1.565 1.00 0.00 C ATOM 87 O ASP A 85 169.797 8.205 -1.601 1.00 0.00 O ATOM 88 CB ASP A 85 171.105 10.864 -3.293 1.00 0.00 C ATOM 89 CG ASP A 85 170.712 9.931 -4.440 1.00 0.00 C ATOM 90 OD1 ASP A 85 169.544 9.586 -4.522 1.00 0.00 O ATOM 91 OD2 ASP A 85 171.584 9.578 -5.216 1.00 0.00 O ATOM 0 H ASP A 85 171.412 12.183 -1.311 1.00 0.00 H new ATOM 0 HA ASP A 85 169.223 10.541 -2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 85 170.923 11.901 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 85 172.171 10.773 -3.086 1.00 0.00 H new ATOM 96 N PHE A 86 171.839 8.886 -1.127 1.00 0.00 N ATOM 97 CA PHE A 86 172.254 7.533 -0.648 1.00 0.00 C ATOM 98 C PHE A 86 171.684 7.237 0.746 1.00 0.00 C ATOM 99 O PHE A 86 171.306 6.116 1.034 1.00 0.00 O ATOM 100 CB PHE A 86 173.787 7.578 -0.596 1.00 0.00 C ATOM 101 CG PHE A 86 174.364 6.954 -1.851 1.00 0.00 C ATOM 102 CD1 PHE A 86 173.962 5.672 -2.247 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.301 7.660 -2.618 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.493 5.096 -3.407 1.00 0.00 C ATOM 105 CE2 PHE A 86 175.832 7.083 -3.779 1.00 0.00 C ATOM 106 CZ PHE A 86 175.427 5.802 -4.174 1.00 0.00 C ATOM 0 H PHE A 86 172.566 9.600 -1.080 1.00 0.00 H new ATOM 0 HA PHE A 86 171.883 6.747 -1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.126 8.610 -0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.146 7.044 0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.241 5.127 -1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 86 175.613 8.648 -2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 86 174.182 4.107 -3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 86 176.554 7.627 -4.370 1.00 0.00 H new ATOM 0 HZ PHE A 86 175.835 5.359 -5.070 1.00 0.00 H new ATOM 116 N VAL A 87 171.647 8.213 1.622 1.00 0.00 N ATOM 117 CA VAL A 87 171.131 7.955 3.005 1.00 0.00 C ATOM 118 C VAL A 87 169.646 7.567 2.966 1.00 0.00 C ATOM 119 O VAL A 87 169.239 6.585 3.557 1.00 0.00 O ATOM 120 CB VAL A 87 171.328 9.278 3.760 1.00 0.00 C ATOM 121 CG1 VAL A 87 170.814 9.141 5.196 1.00 0.00 C ATOM 122 CG2 VAL A 87 172.819 9.630 3.789 1.00 0.00 C ATOM 0 H VAL A 87 171.949 9.170 1.442 1.00 0.00 H new ATOM 0 HA VAL A 87 171.654 7.129 3.488 1.00 0.00 H new ATOM 0 HB VAL A 87 170.772 10.066 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 87 170.957 10.083 5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 87 169.753 8.891 5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.365 8.351 5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 87 172.961 10.569 4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.370 8.837 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.188 9.735 2.769 1.00 0.00 H new ATOM 132 N LYS A 88 168.838 8.342 2.288 1.00 0.00 N ATOM 133 CA LYS A 88 167.373 8.036 2.220 1.00 0.00 C ATOM 134 C LYS A 88 167.135 6.660 1.594 1.00 0.00 C ATOM 135 O LYS A 88 166.200 5.961 1.940 1.00 0.00 O ATOM 136 CB LYS A 88 166.771 9.136 1.342 1.00 0.00 C ATOM 137 CG LYS A 88 165.250 8.973 1.286 1.00 0.00 C ATOM 138 CD LYS A 88 164.641 10.133 0.494 1.00 0.00 C ATOM 139 CE LYS A 88 163.137 9.899 0.307 1.00 0.00 C ATOM 140 NZ LYS A 88 162.477 10.864 1.230 1.00 0.00 N ATOM 0 H LYS A 88 169.128 9.176 1.777 1.00 0.00 H new ATOM 0 HA LYS A 88 166.919 8.011 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.027 10.117 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 88 167.190 9.083 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 88 164.992 8.023 0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 88 164.838 8.952 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 88 164.810 11.073 1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 88 165.129 10.219 -0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 88 162.836 10.073 -0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 88 162.865 8.872 0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 161.444 10.763 1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 162.776 10.670 2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 162.749 11.834 0.971 1.00 0.00 H new ATOM 154 N ALA A 89 167.963 6.283 0.656 1.00 0.00 N ATOM 155 CA ALA A 89 167.787 4.965 -0.031 1.00 0.00 C ATOM 156 C ALA A 89 168.042 3.792 0.919 1.00 0.00 C ATOM 157 O ALA A 89 167.305 2.825 0.922 1.00 0.00 O ATOM 158 CB ALA A 89 168.816 4.965 -1.161 1.00 0.00 C ATOM 0 H ALA A 89 168.759 6.833 0.333 1.00 0.00 H new ATOM 0 HA ALA A 89 166.766 4.843 -0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 89 168.749 4.028 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 89 168.617 5.799 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 89 169.817 5.069 -0.742 1.00 0.00 H new ATOM 164 N PHE A 90 169.084 3.851 1.711 1.00 0.00 N ATOM 165 CA PHE A 90 169.385 2.723 2.649 1.00 0.00 C ATOM 166 C PHE A 90 168.488 2.766 3.892 1.00 0.00 C ATOM 167 O PHE A 90 167.805 1.812 4.213 1.00 0.00 O ATOM 168 CB PHE A 90 170.847 2.923 3.052 1.00 0.00 C ATOM 169 CG PHE A 90 171.742 2.152 2.114 1.00 0.00 C ATOM 170 CD1 PHE A 90 172.046 0.816 2.384 1.00 0.00 C ATOM 171 CD2 PHE A 90 172.266 2.774 0.974 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.876 0.098 1.518 1.00 0.00 C ATOM 173 CE2 PHE A 90 173.097 2.056 0.105 1.00 0.00 C ATOM 174 CZ PHE A 90 173.402 0.717 0.377 1.00 0.00 C ATOM 0 H PHE A 90 169.740 4.631 1.749 1.00 0.00 H new ATOM 0 HA PHE A 90 169.205 1.758 2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 90 171.101 3.983 3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 90 171.001 2.586 4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 90 171.640 0.337 3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 90 172.029 3.807 0.765 1.00 0.00 H new ATOM 0 HE1 PHE A 90 173.112 -0.935 1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 90 173.502 2.535 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 90 174.042 0.162 -0.292 1.00 0.00 H new ATOM 184 N GLN A 91 168.546 3.845 4.627 1.00 0.00 N ATOM 185 CA GLN A 91 167.769 3.957 5.904 1.00 0.00 C ATOM 186 C GLN A 91 166.302 3.545 5.748 1.00 0.00 C ATOM 187 O GLN A 91 165.692 3.092 6.701 1.00 0.00 O ATOM 188 CB GLN A 91 167.860 5.434 6.292 1.00 0.00 C ATOM 189 CG GLN A 91 169.244 5.725 6.874 1.00 0.00 C ATOM 190 CD GLN A 91 169.259 5.364 8.361 1.00 0.00 C ATOM 191 OE1 GLN A 91 169.665 4.280 8.731 1.00 0.00 O ATOM 192 NE2 GLN A 91 168.831 6.234 9.235 1.00 0.00 N ATOM 0 H GLN A 91 169.105 4.666 4.396 1.00 0.00 H new ATOM 0 HA GLN A 91 168.179 3.286 6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 91 167.682 6.062 5.419 1.00 0.00 H new ATOM 0 HB3 GLN A 91 167.088 5.677 7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 91 170.002 5.150 6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 91 169.491 6.778 6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 91 168.490 7.144 8.924 1.00 0.00 H new ATOM 0 HE22 GLN A 91 168.837 6.004 10.229 1.00 0.00 H new ATOM 201 N VAL A 92 165.718 3.702 4.586 1.00 0.00 N ATOM 202 CA VAL A 92 164.281 3.316 4.435 1.00 0.00 C ATOM 203 C VAL A 92 164.115 1.808 4.694 1.00 0.00 C ATOM 204 O VAL A 92 163.111 1.366 5.221 1.00 0.00 O ATOM 205 CB VAL A 92 163.897 3.694 3.001 1.00 0.00 C ATOM 206 CG1 VAL A 92 164.773 2.929 2.009 1.00 0.00 C ATOM 207 CG2 VAL A 92 162.430 3.344 2.758 1.00 0.00 C ATOM 0 H VAL A 92 166.165 4.074 3.748 1.00 0.00 H new ATOM 0 HA VAL A 92 163.635 3.825 5.150 1.00 0.00 H new ATOM 0 HB VAL A 92 164.047 4.764 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 92 164.494 3.203 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 92 165.820 3.181 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 92 164.630 1.857 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 92 162.156 3.613 1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 92 162.282 2.274 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 92 161.803 3.895 3.459 1.00 0.00 H new ATOM 217 N PHE A 93 165.109 1.025 4.349 1.00 0.00 N ATOM 218 CA PHE A 93 165.035 -0.450 4.598 1.00 0.00 C ATOM 219 C PHE A 93 165.165 -0.705 6.102 1.00 0.00 C ATOM 220 O PHE A 93 164.356 -1.403 6.685 1.00 0.00 O ATOM 221 CB PHE A 93 166.223 -1.047 3.840 1.00 0.00 C ATOM 222 CG PHE A 93 166.171 -2.552 3.922 1.00 0.00 C ATOM 223 CD1 PHE A 93 166.494 -3.204 5.118 1.00 0.00 C ATOM 224 CD2 PHE A 93 165.798 -3.294 2.800 1.00 0.00 C ATOM 225 CE1 PHE A 93 166.444 -4.601 5.189 1.00 0.00 C ATOM 226 CE2 PHE A 93 165.747 -4.692 2.868 1.00 0.00 C ATOM 227 CZ PHE A 93 166.070 -5.346 4.064 1.00 0.00 C ATOM 0 H PHE A 93 165.970 1.344 3.905 1.00 0.00 H new ATOM 0 HA PHE A 93 164.095 -0.892 4.267 1.00 0.00 H new ATOM 0 HB2 PHE A 93 166.199 -0.729 2.798 1.00 0.00 H new ATOM 0 HB3 PHE A 93 167.158 -0.682 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 93 166.782 -2.629 5.986 1.00 0.00 H new ATOM 0 HD2 PHE A 93 165.548 -2.789 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 93 166.694 -5.104 6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 93 165.459 -5.265 1.999 1.00 0.00 H new ATOM 0 HZ PHE A 93 166.031 -6.424 4.118 1.00 0.00 H new ATOM 237 N ASP A 94 166.167 -0.149 6.735 1.00 0.00 N ATOM 238 CA ASP A 94 166.329 -0.369 8.208 1.00 0.00 C ATOM 239 C ASP A 94 165.560 0.708 8.975 1.00 0.00 C ATOM 240 O ASP A 94 166.119 1.693 9.418 1.00 0.00 O ATOM 241 CB ASP A 94 167.836 -0.284 8.489 1.00 0.00 C ATOM 242 CG ASP A 94 168.389 1.062 8.019 1.00 0.00 C ATOM 243 OD1 ASP A 94 168.668 1.183 6.838 1.00 0.00 O ATOM 244 OD2 ASP A 94 168.527 1.948 8.847 1.00 0.00 O ATOM 0 H ASP A 94 166.875 0.443 6.302 1.00 0.00 H new ATOM 0 HA ASP A 94 165.934 -1.334 8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 94 168.021 -0.408 9.556 1.00 0.00 H new ATOM 0 HB3 ASP A 94 168.354 -1.096 7.979 1.00 0.00 H new ATOM 249 N LYS A 95 164.273 0.523 9.122 1.00 0.00 N ATOM 250 CA LYS A 95 163.441 1.528 9.849 1.00 0.00 C ATOM 251 C LYS A 95 163.875 1.645 11.316 1.00 0.00 C ATOM 252 O LYS A 95 163.545 2.608 11.983 1.00 0.00 O ATOM 253 CB LYS A 95 161.996 1.020 9.743 1.00 0.00 C ATOM 254 CG LYS A 95 161.857 -0.342 10.433 1.00 0.00 C ATOM 255 CD LYS A 95 160.407 -0.820 10.329 1.00 0.00 C ATOM 256 CE LYS A 95 160.177 -1.976 11.304 1.00 0.00 C ATOM 257 NZ LYS A 95 158.788 -1.784 11.804 1.00 0.00 N ATOM 0 H LYS A 95 163.761 -0.285 8.768 1.00 0.00 H new ATOM 0 HA LYS A 95 163.550 2.524 9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 95 161.317 1.738 10.202 1.00 0.00 H new ATOM 0 HB3 LYS A 95 161.710 0.935 8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 95 162.525 -1.067 9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 95 162.151 -0.263 11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 95 159.726 0.000 10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 95 160.192 -1.142 9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 95 160.289 -2.940 10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 95 160.898 -1.953 12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 158.555 -2.539 12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 158.714 -0.861 12.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 158.124 -1.817 11.005 1.00 0.00 H new ATOM 271 N GLU A 96 164.610 0.684 11.830 1.00 0.00 N ATOM 272 CA GLU A 96 165.057 0.762 13.256 1.00 0.00 C ATOM 273 C GLU A 96 166.398 1.507 13.372 1.00 0.00 C ATOM 274 O GLU A 96 167.053 1.451 14.394 1.00 0.00 O ATOM 275 CB GLU A 96 165.213 -0.693 13.699 1.00 0.00 C ATOM 276 CG GLU A 96 163.857 -1.397 13.629 1.00 0.00 C ATOM 277 CD GLU A 96 162.914 -0.796 14.671 1.00 0.00 C ATOM 278 OE1 GLU A 96 163.387 -0.456 15.744 1.00 0.00 O ATOM 279 OE2 GLU A 96 161.734 -0.685 14.381 1.00 0.00 O ATOM 0 H GLU A 96 164.917 -0.147 11.324 1.00 0.00 H new ATOM 0 HA GLU A 96 164.346 1.309 13.875 1.00 0.00 H new ATOM 0 HB2 GLU A 96 165.933 -1.204 13.059 1.00 0.00 H new ATOM 0 HB3 GLU A 96 165.604 -0.735 14.716 1.00 0.00 H new ATOM 0 HG2 GLU A 96 163.430 -1.288 12.632 1.00 0.00 H new ATOM 0 HG3 GLU A 96 163.980 -2.465 13.808 1.00 0.00 H new ATOM 286 N SER A 97 166.790 2.228 12.345 1.00 0.00 N ATOM 287 CA SER A 97 168.062 3.022 12.362 1.00 0.00 C ATOM 288 C SER A 97 169.235 2.317 13.061 1.00 0.00 C ATOM 289 O SER A 97 170.042 2.961 13.709 1.00 0.00 O ATOM 290 CB SER A 97 167.705 4.309 13.103 1.00 0.00 C ATOM 291 OG SER A 97 167.114 3.981 14.353 1.00 0.00 O ATOM 0 H SER A 97 166.266 2.300 11.473 1.00 0.00 H new ATOM 0 HA SER A 97 168.412 3.182 11.342 1.00 0.00 H new ATOM 0 HB2 SER A 97 168.599 4.913 13.257 1.00 0.00 H new ATOM 0 HB3 SER A 97 167.015 4.906 12.507 1.00 0.00 H new ATOM 0 HG SER A 97 167.389 3.078 14.618 1.00 0.00 H new ATOM 297 N THR A 98 169.348 1.014 12.939 1.00 0.00 N ATOM 298 CA THR A 98 170.488 0.309 13.609 1.00 0.00 C ATOM 299 C THR A 98 171.817 0.800 13.016 1.00 0.00 C ATOM 300 O THR A 98 172.813 0.904 13.709 1.00 0.00 O ATOM 301 CB THR A 98 170.278 -1.195 13.349 1.00 0.00 C ATOM 302 OG1 THR A 98 171.410 -1.910 13.823 1.00 0.00 O ATOM 303 CG2 THR A 98 170.090 -1.485 11.855 1.00 0.00 C ATOM 0 H THR A 98 168.711 0.416 12.413 1.00 0.00 H new ATOM 0 HA THR A 98 170.522 0.508 14.680 1.00 0.00 H new ATOM 0 HB THR A 98 169.376 -1.511 13.874 1.00 0.00 H new ATOM 0 HG1 THR A 98 171.283 -2.868 13.662 1.00 0.00 H new ATOM 0 HG21 THR A 98 169.944 -2.555 11.708 1.00 0.00 H new ATOM 0 HG22 THR A 98 169.217 -0.946 11.487 1.00 0.00 H new ATOM 0 HG23 THR A 98 170.975 -1.160 11.307 1.00 0.00 H new ATOM 311 N GLY A 99 171.833 1.115 11.744 1.00 0.00 N ATOM 312 CA GLY A 99 173.086 1.614 11.103 1.00 0.00 C ATOM 313 C GLY A 99 173.861 0.465 10.440 1.00 0.00 C ATOM 314 O GLY A 99 174.992 0.643 10.025 1.00 0.00 O ATOM 0 H GLY A 99 171.028 1.047 11.121 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.841 2.370 10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.714 2.097 11.852 1.00 0.00 H new ATOM 318 N LYS A 100 173.278 -0.708 10.339 1.00 0.00 N ATOM 319 CA LYS A 100 174.001 -1.852 9.702 1.00 0.00 C ATOM 320 C LYS A 100 173.100 -2.549 8.679 1.00 0.00 C ATOM 321 O LYS A 100 171.888 -2.504 8.783 1.00 0.00 O ATOM 322 CB LYS A 100 174.324 -2.803 10.856 1.00 0.00 C ATOM 323 CG LYS A 100 175.329 -2.142 11.804 1.00 0.00 C ATOM 324 CD LYS A 100 174.580 -1.478 12.966 1.00 0.00 C ATOM 325 CE LYS A 100 175.315 -1.756 14.281 1.00 0.00 C ATOM 326 NZ LYS A 100 174.931 -0.633 15.181 1.00 0.00 N ATOM 0 H LYS A 100 172.337 -0.920 10.669 1.00 0.00 H new ATOM 0 HA LYS A 100 174.895 -1.528 9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.412 -3.057 11.397 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.734 -3.735 10.468 1.00 0.00 H new ATOM 0 HG2 LYS A 100 176.027 -2.886 12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 100 175.918 -1.399 11.266 1.00 0.00 H new ATOM 0 HD2 LYS A 100 174.509 -0.403 12.798 1.00 0.00 H new ATOM 0 HD3 LYS A 100 173.561 -1.861 13.020 1.00 0.00 H new ATOM 0 HE2 LYS A 100 175.021 -2.718 14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 100 176.394 -1.790 14.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 175.765 -0.043 15.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 174.198 -0.056 14.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 174.562 -1.015 16.075 1.00 0.00 H new ATOM 340 N VAL A 101 173.677 -3.206 7.703 1.00 0.00 N ATOM 341 CA VAL A 101 172.848 -3.924 6.684 1.00 0.00 C ATOM 342 C VAL A 101 173.621 -5.128 6.137 1.00 0.00 C ATOM 343 O VAL A 101 174.831 -5.195 6.235 1.00 0.00 O ATOM 344 CB VAL A 101 172.565 -2.904 5.574 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.739 -1.747 6.136 1.00 0.00 C ATOM 346 CG2 VAL A 101 173.887 -2.362 5.018 1.00 0.00 C ATOM 0 H VAL A 101 174.685 -3.276 7.567 1.00 0.00 H new ATOM 0 HA VAL A 101 171.919 -4.305 7.109 1.00 0.00 H new ATOM 0 HB VAL A 101 172.009 -3.393 4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.540 -1.024 5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 101 170.795 -2.129 6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 101 172.292 -1.262 6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 101 173.681 -1.638 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 101 174.447 -1.878 5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 101 174.475 -3.184 4.610 1.00 0.00 H new ATOM 356 N SER A 102 172.927 -6.073 5.554 1.00 0.00 N ATOM 357 CA SER A 102 173.612 -7.275 4.986 1.00 0.00 C ATOM 358 C SER A 102 174.165 -6.953 3.598 1.00 0.00 C ATOM 359 O SER A 102 173.577 -6.198 2.848 1.00 0.00 O ATOM 360 CB SER A 102 172.522 -8.342 4.888 1.00 0.00 C ATOM 361 OG SER A 102 171.359 -7.772 4.302 1.00 0.00 O ATOM 0 H SER A 102 171.913 -6.064 5.447 1.00 0.00 H new ATOM 0 HA SER A 102 174.451 -7.603 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 102 172.872 -9.182 4.287 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.290 -8.733 5.878 1.00 0.00 H new ATOM 0 HG SER A 102 170.658 -8.454 4.236 1.00 0.00 H new ATOM 367 N VAL A 103 175.298 -7.513 3.255 1.00 0.00 N ATOM 368 CA VAL A 103 175.905 -7.235 1.915 1.00 0.00 C ATOM 369 C VAL A 103 174.927 -7.595 0.787 1.00 0.00 C ATOM 370 O VAL A 103 174.829 -6.893 -0.201 1.00 0.00 O ATOM 371 CB VAL A 103 177.163 -8.115 1.853 1.00 0.00 C ATOM 372 CG1 VAL A 103 176.778 -9.595 1.952 1.00 0.00 C ATOM 373 CG2 VAL A 103 177.900 -7.869 0.533 1.00 0.00 C ATOM 0 H VAL A 103 175.830 -8.152 3.845 1.00 0.00 H new ATOM 0 HA VAL A 103 176.143 -6.179 1.787 1.00 0.00 H new ATOM 0 HB VAL A 103 177.813 -7.858 2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 103 177.678 -10.209 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.263 -9.775 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 103 176.119 -9.856 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 103 178.792 -8.495 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 103 177.244 -8.117 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 103 178.189 -6.820 0.468 1.00 0.00 H new ATOM 383 N GLY A 104 174.212 -8.686 0.920 1.00 0.00 N ATOM 384 CA GLY A 104 173.251 -9.096 -0.149 1.00 0.00 C ATOM 385 C GLY A 104 172.204 -8.000 -0.370 1.00 0.00 C ATOM 386 O GLY A 104 171.843 -7.692 -1.490 1.00 0.00 O ATOM 0 H GLY A 104 174.253 -9.311 1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 104 173.789 -9.287 -1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 104 172.759 -10.027 0.132 1.00 0.00 H new ATOM 390 N ASP A 105 171.719 -7.409 0.694 1.00 0.00 N ATOM 391 CA ASP A 105 170.696 -6.328 0.560 1.00 0.00 C ATOM 392 C ASP A 105 171.369 -5.003 0.201 1.00 0.00 C ATOM 393 O ASP A 105 170.863 -4.234 -0.596 1.00 0.00 O ATOM 394 CB ASP A 105 170.027 -6.238 1.931 1.00 0.00 C ATOM 395 CG ASP A 105 168.624 -5.650 1.777 1.00 0.00 C ATOM 396 OD1 ASP A 105 168.526 -4.460 1.527 1.00 0.00 O ATOM 397 OD2 ASP A 105 167.671 -6.400 1.911 1.00 0.00 O ATOM 0 H ASP A 105 171.989 -7.630 1.652 1.00 0.00 H new ATOM 0 HA ASP A 105 169.975 -6.540 -0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 105 169.970 -7.227 2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.623 -5.615 2.598 1.00 0.00 H new ATOM 402 N LEU A 106 172.503 -4.730 0.794 1.00 0.00 N ATOM 403 CA LEU A 106 173.218 -3.449 0.503 1.00 0.00 C ATOM 404 C LEU A 106 173.566 -3.367 -0.986 1.00 0.00 C ATOM 405 O LEU A 106 173.307 -2.369 -1.633 1.00 0.00 O ATOM 406 CB LEU A 106 174.491 -3.500 1.358 1.00 0.00 C ATOM 407 CG LEU A 106 175.328 -2.231 1.132 1.00 0.00 C ATOM 408 CD1 LEU A 106 175.878 -1.731 2.470 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.496 -2.547 0.193 1.00 0.00 C ATOM 0 H LEU A 106 172.966 -5.339 1.468 1.00 0.00 H new ATOM 0 HA LEU A 106 172.612 -2.573 0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.228 -3.589 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 106 175.077 -4.382 1.100 1.00 0.00 H new ATOM 0 HG LEU A 106 174.698 -1.461 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 106 176.471 -0.831 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 106 175.050 -1.503 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 106 176.505 -2.502 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 106 177.089 -1.646 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 106 177.123 -3.319 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 106 176.109 -2.901 -0.763 1.00 0.00 H new ATOM 421 N ARG A 107 174.159 -4.398 -1.529 1.00 0.00 N ATOM 422 CA ARG A 107 174.534 -4.369 -2.976 1.00 0.00 C ATOM 423 C ARG A 107 173.285 -4.289 -3.857 1.00 0.00 C ATOM 424 O ARG A 107 173.325 -3.742 -4.944 1.00 0.00 O ATOM 425 CB ARG A 107 175.302 -5.668 -3.231 1.00 0.00 C ATOM 426 CG ARG A 107 176.116 -5.539 -4.523 1.00 0.00 C ATOM 427 CD ARG A 107 176.139 -6.887 -5.250 1.00 0.00 C ATOM 428 NE ARG A 107 176.149 -6.545 -6.701 1.00 0.00 N ATOM 429 CZ ARG A 107 176.503 -7.443 -7.579 1.00 0.00 C ATOM 430 NH1 ARG A 107 175.904 -8.602 -7.606 1.00 0.00 N ATOM 431 NH2 ARG A 107 177.454 -7.181 -8.433 1.00 0.00 N ATOM 0 H ARG A 107 174.400 -5.257 -1.035 1.00 0.00 H new ATOM 0 HA ARG A 107 175.139 -3.495 -3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 107 175.964 -5.881 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.607 -6.504 -3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 107 175.679 -4.775 -5.166 1.00 0.00 H new ATOM 0 HG3 ARG A 107 177.133 -5.220 -4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 107 177.020 -7.468 -4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 107 175.267 -7.489 -4.993 1.00 0.00 H new ATOM 0 HE ARG A 107 175.879 -5.610 -7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 107 175.159 -8.806 -6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 107 176.181 -9.303 -8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 107 177.921 -6.274 -8.414 1.00 0.00 H new ATOM 0 HH22 ARG A 107 177.731 -7.883 -9.119 1.00 0.00 H new ATOM 445 N TYR A 108 172.182 -4.842 -3.409 1.00 0.00 N ATOM 446 CA TYR A 108 170.944 -4.804 -4.245 1.00 0.00 C ATOM 447 C TYR A 108 170.418 -3.370 -4.364 1.00 0.00 C ATOM 448 O TYR A 108 170.102 -2.913 -5.447 1.00 0.00 O ATOM 449 CB TYR A 108 169.932 -5.705 -3.533 1.00 0.00 C ATOM 450 CG TYR A 108 168.865 -6.139 -4.511 1.00 0.00 C ATOM 451 CD1 TYR A 108 167.816 -5.269 -4.835 1.00 0.00 C ATOM 452 CD2 TYR A 108 168.926 -7.411 -5.093 1.00 0.00 C ATOM 453 CE1 TYR A 108 166.828 -5.673 -5.742 1.00 0.00 C ATOM 454 CE2 TYR A 108 167.938 -7.813 -5.999 1.00 0.00 C ATOM 455 CZ TYR A 108 166.889 -6.945 -6.324 1.00 0.00 C ATOM 456 OH TYR A 108 165.915 -7.342 -7.217 1.00 0.00 O ATOM 0 H TYR A 108 172.088 -5.313 -2.509 1.00 0.00 H new ATOM 0 HA TYR A 108 171.133 -5.150 -5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.436 -6.578 -3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.479 -5.171 -2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 108 167.769 -4.288 -4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 108 169.735 -8.081 -4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 108 166.019 -5.003 -5.993 1.00 0.00 H new ATOM 0 HE2 TYR A 108 167.985 -8.794 -6.448 1.00 0.00 H new ATOM 0 HH TYR A 108 166.107 -8.251 -7.528 1.00 0.00 H new ATOM 466 N MET A 109 170.313 -2.660 -3.265 1.00 0.00 N ATOM 467 CA MET A 109 169.794 -1.261 -3.336 1.00 0.00 C ATOM 468 C MET A 109 170.745 -0.391 -4.142 1.00 0.00 C ATOM 469 O MET A 109 170.314 0.417 -4.943 1.00 0.00 O ATOM 470 CB MET A 109 169.719 -0.777 -1.890 1.00 0.00 C ATOM 471 CG MET A 109 168.342 -1.118 -1.305 1.00 0.00 C ATOM 472 SD MET A 109 167.534 0.389 -0.694 1.00 0.00 S ATOM 473 CE MET A 109 167.644 1.351 -2.228 1.00 0.00 C ATOM 0 H MET A 109 170.562 -2.987 -2.331 1.00 0.00 H new ATOM 0 HA MET A 109 168.821 -1.211 -3.825 1.00 0.00 H new ATOM 0 HB2 MET A 109 170.504 -1.247 -1.297 1.00 0.00 H new ATOM 0 HB3 MET A 109 169.888 0.299 -1.847 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.721 -1.590 -2.067 1.00 0.00 H new ATOM 0 HG3 MET A 109 168.451 -1.837 -0.493 1.00 0.00 H new ATOM 0 HE1 MET A 109 166.804 2.043 -2.284 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.578 1.913 -2.239 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.616 0.676 -3.083 1.00 0.00 H new ATOM 483 N LEU A 110 172.034 -0.551 -3.962 1.00 0.00 N ATOM 484 CA LEU A 110 173.001 0.276 -4.752 1.00 0.00 C ATOM 485 C LEU A 110 172.706 0.076 -6.241 1.00 0.00 C ATOM 486 O LEU A 110 172.627 1.016 -7.008 1.00 0.00 O ATOM 487 CB LEU A 110 174.389 -0.267 -4.390 1.00 0.00 C ATOM 488 CG LEU A 110 175.345 0.898 -4.123 1.00 0.00 C ATOM 489 CD1 LEU A 110 174.930 1.619 -2.839 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.769 0.359 -3.963 1.00 0.00 C ATOM 0 H LEU A 110 172.456 -1.212 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 110 172.932 1.342 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.322 -0.905 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.772 -0.885 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 110 175.308 1.596 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 110 175.612 2.448 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 110 173.915 2.001 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 110 174.967 0.922 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.452 1.187 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 110 176.802 -0.339 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 110 177.068 -0.156 -4.876 1.00 0.00 H new ATOM 502 N THR A 111 172.502 -1.154 -6.630 1.00 0.00 N ATOM 503 CA THR A 111 172.174 -1.454 -8.059 1.00 0.00 C ATOM 504 C THR A 111 170.879 -0.735 -8.454 1.00 0.00 C ATOM 505 O THR A 111 170.695 -0.329 -9.585 1.00 0.00 O ATOM 506 CB THR A 111 171.985 -2.972 -8.117 1.00 0.00 C ATOM 507 OG1 THR A 111 173.144 -3.612 -7.605 1.00 0.00 O ATOM 508 CG2 THR A 111 171.758 -3.406 -9.566 1.00 0.00 C ATOM 0 H THR A 111 172.548 -1.969 -6.019 1.00 0.00 H new ATOM 0 HA THR A 111 172.953 -1.119 -8.744 1.00 0.00 H new ATOM 0 HB THR A 111 171.120 -3.253 -7.517 1.00 0.00 H new ATOM 0 HG1 THR A 111 172.971 -3.920 -6.691 1.00 0.00 H new ATOM 0 HG21 THR A 111 171.624 -4.487 -9.605 1.00 0.00 H new ATOM 0 HG22 THR A 111 170.867 -2.915 -9.957 1.00 0.00 H new ATOM 0 HG23 THR A 111 172.621 -3.126 -10.169 1.00 0.00 H new ATOM 516 N GLY A 112 170.000 -0.552 -7.506 1.00 0.00 N ATOM 517 CA GLY A 112 168.721 0.167 -7.765 1.00 0.00 C ATOM 518 C GLY A 112 168.909 1.681 -7.573 1.00 0.00 C ATOM 519 O GLY A 112 168.062 2.470 -7.944 1.00 0.00 O ATOM 0 H GLY A 112 170.117 -0.877 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.380 -0.038 -8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 112 167.948 -0.198 -7.089 1.00 0.00 H new ATOM 523 N LEU A 113 169.993 2.085 -6.952 1.00 0.00 N ATOM 524 CA LEU A 113 170.233 3.535 -6.673 1.00 0.00 C ATOM 525 C LEU A 113 171.107 4.210 -7.743 1.00 0.00 C ATOM 526 O LEU A 113 171.514 5.346 -7.573 1.00 0.00 O ATOM 527 CB LEU A 113 170.973 3.536 -5.331 1.00 0.00 C ATOM 528 CG LEU A 113 170.416 4.634 -4.425 1.00 0.00 C ATOM 529 CD1 LEU A 113 171.090 4.545 -3.057 1.00 0.00 C ATOM 530 CD2 LEU A 113 170.698 6.005 -5.045 1.00 0.00 C ATOM 0 H LEU A 113 170.730 1.462 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 113 169.296 4.092 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 113 170.866 2.565 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 113 172.039 3.695 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 113 169.339 4.505 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 113 170.697 5.326 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 113 170.889 3.569 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 113 172.166 4.676 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 113 170.300 6.786 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 113 171.774 6.139 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 113 170.221 6.067 -6.023 1.00 0.00 H new ATOM 542 N GLY A 114 171.425 3.538 -8.819 1.00 0.00 N ATOM 543 CA GLY A 114 172.302 4.166 -9.861 1.00 0.00 C ATOM 544 C GLY A 114 173.718 3.593 -9.730 1.00 0.00 C ATOM 545 O GLY A 114 174.699 4.245 -10.031 1.00 0.00 O ATOM 0 H GLY A 114 171.119 2.587 -9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 114 171.906 3.967 -10.857 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.320 5.249 -9.735 1.00 0.00 H new ATOM 549 N GLU A 115 173.810 2.360 -9.316 1.00 0.00 N ATOM 550 CA GLU A 115 175.143 1.695 -9.194 1.00 0.00 C ATOM 551 C GLU A 115 175.253 0.556 -10.206 1.00 0.00 C ATOM 552 O GLU A 115 174.486 -0.387 -10.163 1.00 0.00 O ATOM 553 CB GLU A 115 175.206 1.142 -7.772 1.00 0.00 C ATOM 554 CG GLU A 115 176.669 0.933 -7.373 1.00 0.00 C ATOM 555 CD GLU A 115 177.342 2.292 -7.163 1.00 0.00 C ATOM 556 OE1 GLU A 115 176.792 3.095 -6.428 1.00 0.00 O ATOM 557 OE2 GLU A 115 178.394 2.505 -7.741 1.00 0.00 O ATOM 0 H GLU A 115 173.014 1.778 -9.054 1.00 0.00 H new ATOM 0 HA GLU A 115 175.959 2.390 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.724 1.832 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 115 174.663 0.199 -7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 115 176.727 0.342 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 115 177.192 0.373 -8.148 1.00 0.00 H new ATOM 564 N LYS A 116 176.209 0.616 -11.099 1.00 0.00 N ATOM 565 CA LYS A 116 176.369 -0.492 -12.085 1.00 0.00 C ATOM 566 C LYS A 116 177.771 -1.085 -11.966 1.00 0.00 C ATOM 567 O LYS A 116 178.532 -1.135 -12.913 1.00 0.00 O ATOM 568 CB LYS A 116 176.102 0.099 -13.469 1.00 0.00 C ATOM 569 CG LYS A 116 174.642 0.544 -13.567 1.00 0.00 C ATOM 570 CD LYS A 116 174.382 1.135 -14.954 1.00 0.00 C ATOM 571 CE LYS A 116 172.922 1.580 -15.055 1.00 0.00 C ATOM 572 NZ LYS A 116 172.637 1.634 -16.515 1.00 0.00 N ATOM 0 H LYS A 116 176.880 1.379 -11.187 1.00 0.00 H new ATOM 0 HA LYS A 116 175.669 -1.307 -11.902 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.763 0.947 -13.647 1.00 0.00 H new ATOM 0 HB3 LYS A 116 176.319 -0.641 -14.239 1.00 0.00 H new ATOM 0 HG2 LYS A 116 173.980 -0.304 -13.391 1.00 0.00 H new ATOM 0 HG3 LYS A 116 174.424 1.284 -12.797 1.00 0.00 H new ATOM 0 HD2 LYS A 116 175.044 1.983 -15.129 1.00 0.00 H new ATOM 0 HD3 LYS A 116 174.601 0.395 -15.723 1.00 0.00 H new ATOM 0 HE2 LYS A 116 172.259 0.878 -14.549 1.00 0.00 H new ATOM 0 HE3 LYS A 116 172.773 2.553 -14.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 171.652 1.932 -16.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 173.278 2.315 -16.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 172.781 0.692 -16.932 1.00 0.00 H new ATOM 586 N LEU A 117 178.082 -1.573 -10.798 1.00 0.00 N ATOM 587 CA LEU A 117 179.394 -2.225 -10.550 1.00 0.00 C ATOM 588 C LEU A 117 179.239 -3.720 -10.837 1.00 0.00 C ATOM 589 O LEU A 117 178.178 -4.280 -10.637 1.00 0.00 O ATOM 590 CB LEU A 117 179.698 -1.978 -9.071 1.00 0.00 C ATOM 591 CG LEU A 117 179.756 -0.472 -8.799 1.00 0.00 C ATOM 592 CD1 LEU A 117 179.852 -0.229 -7.292 1.00 0.00 C ATOM 593 CD2 LEU A 117 180.984 0.125 -9.491 1.00 0.00 C ATOM 0 H LEU A 117 177.465 -1.545 -9.986 1.00 0.00 H new ATOM 0 HA LEU A 117 180.198 -1.839 -11.177 1.00 0.00 H new ATOM 0 HB2 LEU A 117 178.930 -2.440 -8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.647 -2.442 -8.803 1.00 0.00 H new ATOM 0 HG LEU A 117 178.854 0.002 -9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 117 179.893 0.843 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 117 178.978 -0.654 -6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.754 -0.703 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 117 181.025 1.197 -9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 117 181.886 -0.349 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 117 180.916 -0.047 -10.565 1.00 0.00 H new ATOM 605 N THR A 118 180.275 -4.372 -11.293 1.00 0.00 N ATOM 606 CA THR A 118 180.168 -5.835 -11.577 1.00 0.00 C ATOM 607 C THR A 118 181.007 -6.629 -10.575 1.00 0.00 C ATOM 608 O THR A 118 182.072 -6.189 -10.190 1.00 0.00 O ATOM 609 CB THR A 118 180.717 -6.007 -12.992 1.00 0.00 C ATOM 610 OG1 THR A 118 180.227 -4.961 -13.820 1.00 0.00 O ATOM 611 CG2 THR A 118 180.270 -7.358 -13.554 1.00 0.00 C ATOM 0 H THR A 118 181.188 -3.958 -11.481 1.00 0.00 H new ATOM 0 HA THR A 118 179.144 -6.198 -11.492 1.00 0.00 H new ATOM 0 HB THR A 118 181.806 -5.969 -12.966 1.00 0.00 H new ATOM 0 HG1 THR A 118 180.580 -5.070 -14.728 1.00 0.00 H new ATOM 0 HG21 THR A 118 180.662 -7.480 -14.564 1.00 0.00 H new ATOM 0 HG22 THR A 118 180.648 -8.159 -12.919 1.00 0.00 H new ATOM 0 HG23 THR A 118 179.181 -7.399 -13.580 1.00 0.00 H new ATOM 619 N ASP A 119 180.531 -7.774 -10.119 1.00 0.00 N ATOM 620 CA ASP A 119 181.292 -8.594 -9.102 1.00 0.00 C ATOM 621 C ASP A 119 182.807 -8.615 -9.369 1.00 0.00 C ATOM 622 O ASP A 119 183.600 -8.712 -8.452 1.00 0.00 O ATOM 623 CB ASP A 119 180.721 -10.006 -9.241 1.00 0.00 C ATOM 624 CG ASP A 119 181.187 -10.864 -8.064 1.00 0.00 C ATOM 625 OD1 ASP A 119 182.385 -10.936 -7.846 1.00 0.00 O ATOM 626 OD2 ASP A 119 180.337 -11.434 -7.400 1.00 0.00 O ATOM 0 H ASP A 119 179.641 -8.179 -10.410 1.00 0.00 H new ATOM 0 HA ASP A 119 181.177 -8.173 -8.103 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.632 -9.968 -9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 119 181.048 -10.451 -10.181 1.00 0.00 H new ATOM 631 N ALA A 120 183.209 -8.475 -10.608 1.00 0.00 N ATOM 632 CA ALA A 120 184.670 -8.433 -10.924 1.00 0.00 C ATOM 633 C ALA A 120 185.297 -7.222 -10.225 1.00 0.00 C ATOM 634 O ALA A 120 186.261 -7.347 -9.493 1.00 0.00 O ATOM 635 CB ALA A 120 184.746 -8.263 -12.444 1.00 0.00 C ATOM 0 H ALA A 120 182.589 -8.388 -11.413 1.00 0.00 H new ATOM 0 HA ALA A 120 185.200 -9.326 -10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 120 185.790 -8.224 -12.754 1.00 0.00 H new ATOM 0 HB2 ALA A 120 184.255 -9.106 -12.929 1.00 0.00 H new ATOM 0 HB3 ALA A 120 184.247 -7.338 -12.732 1.00 0.00 H new ATOM 641 N GLU A 121 184.739 -6.057 -10.434 1.00 0.00 N ATOM 642 CA GLU A 121 185.273 -4.829 -9.771 1.00 0.00 C ATOM 643 C GLU A 121 184.842 -4.786 -8.299 1.00 0.00 C ATOM 644 O GLU A 121 185.620 -4.463 -7.422 1.00 0.00 O ATOM 645 CB GLU A 121 184.657 -3.662 -10.545 1.00 0.00 C ATOM 646 CG GLU A 121 185.303 -3.567 -11.929 1.00 0.00 C ATOM 647 CD GLU A 121 184.619 -2.466 -12.747 1.00 0.00 C ATOM 648 OE1 GLU A 121 184.137 -1.518 -12.148 1.00 0.00 O ATOM 649 OE2 GLU A 121 184.589 -2.592 -13.960 1.00 0.00 O ATOM 0 H GLU A 121 183.932 -5.903 -11.039 1.00 0.00 H new ATOM 0 HA GLU A 121 186.362 -4.797 -9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.581 -3.805 -10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.806 -2.731 -9.998 1.00 0.00 H new ATOM 0 HG2 GLU A 121 186.367 -3.351 -11.830 1.00 0.00 H new ATOM 0 HG3 GLU A 121 185.218 -4.523 -12.446 1.00 0.00 H new ATOM 656 N VAL A 122 183.601 -5.113 -8.030 1.00 0.00 N ATOM 657 CA VAL A 122 183.095 -5.100 -6.620 1.00 0.00 C ATOM 658 C VAL A 122 183.902 -6.072 -5.752 1.00 0.00 C ATOM 659 O VAL A 122 184.146 -5.803 -4.590 1.00 0.00 O ATOM 660 CB VAL A 122 181.625 -5.539 -6.703 1.00 0.00 C ATOM 661 CG1 VAL A 122 181.004 -5.548 -5.301 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.847 -4.561 -7.583 1.00 0.00 C ATOM 0 H VAL A 122 182.913 -5.390 -8.730 1.00 0.00 H new ATOM 0 HA VAL A 122 183.193 -4.114 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 122 181.578 -6.541 -7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 122 179.962 -5.860 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.552 -6.243 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 122 181.057 -4.547 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.804 -4.874 -7.641 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.902 -3.561 -7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 122 181.278 -4.550 -8.584 1.00 0.00 H new ATOM 672 N ASP A 123 184.327 -7.187 -6.296 1.00 0.00 N ATOM 673 CA ASP A 123 185.126 -8.151 -5.475 1.00 0.00 C ATOM 674 C ASP A 123 186.435 -7.477 -5.047 1.00 0.00 C ATOM 675 O ASP A 123 186.882 -7.625 -3.925 1.00 0.00 O ATOM 676 CB ASP A 123 185.384 -9.360 -6.377 1.00 0.00 C ATOM 677 CG ASP A 123 186.201 -10.405 -5.615 1.00 0.00 C ATOM 678 OD1 ASP A 123 185.889 -10.645 -4.459 1.00 0.00 O ATOM 679 OD2 ASP A 123 187.124 -10.948 -6.198 1.00 0.00 O ATOM 0 H ASP A 123 184.158 -7.469 -7.261 1.00 0.00 H new ATOM 0 HA ASP A 123 184.609 -8.461 -4.567 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.438 -9.791 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 123 185.919 -9.049 -7.274 1.00 0.00 H new ATOM 684 N GLU A 124 187.032 -6.715 -5.929 1.00 0.00 N ATOM 685 CA GLU A 124 188.296 -5.994 -5.576 1.00 0.00 C ATOM 686 C GLU A 124 188.029 -5.030 -4.415 1.00 0.00 C ATOM 687 O GLU A 124 188.744 -5.009 -3.432 1.00 0.00 O ATOM 688 CB GLU A 124 188.671 -5.207 -6.834 1.00 0.00 C ATOM 689 CG GLU A 124 188.943 -6.178 -7.984 1.00 0.00 C ATOM 690 CD GLU A 124 189.975 -5.568 -8.933 1.00 0.00 C ATOM 691 OE1 GLU A 124 191.152 -5.633 -8.619 1.00 0.00 O ATOM 692 OE2 GLU A 124 189.571 -5.046 -9.959 1.00 0.00 O ATOM 0 H GLU A 124 186.699 -6.560 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 124 189.090 -6.674 -5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 124 187.864 -4.526 -7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.554 -4.596 -6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 124 189.309 -7.128 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 124 188.019 -6.389 -8.522 1.00 0.00 H new ATOM 699 N LEU A 125 186.994 -4.237 -4.532 1.00 0.00 N ATOM 700 CA LEU A 125 186.649 -3.267 -3.450 1.00 0.00 C ATOM 701 C LEU A 125 186.365 -4.011 -2.143 1.00 0.00 C ATOM 702 O LEU A 125 186.888 -3.681 -1.096 1.00 0.00 O ATOM 703 CB LEU A 125 185.376 -2.572 -3.940 1.00 0.00 C ATOM 704 CG LEU A 125 185.714 -1.666 -5.125 1.00 0.00 C ATOM 705 CD1 LEU A 125 184.422 -1.122 -5.737 1.00 0.00 C ATOM 706 CD2 LEU A 125 186.580 -0.501 -4.642 1.00 0.00 C ATOM 0 H LEU A 125 186.369 -4.220 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 125 187.459 -2.565 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 125 184.634 -3.314 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 125 184.936 -1.985 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 125 186.258 -2.238 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 125 184.663 -0.476 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 125 183.804 -1.952 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 125 183.877 -0.549 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 125 186.822 0.146 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 125 186.035 0.070 -3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 125 187.501 -0.888 -4.206 1.00 0.00 H new ATOM 718 N LEU A 126 185.525 -5.010 -2.211 1.00 0.00 N ATOM 719 CA LEU A 126 185.169 -5.798 -0.989 1.00 0.00 C ATOM 720 C LEU A 126 186.401 -6.494 -0.395 1.00 0.00 C ATOM 721 O LEU A 126 186.379 -6.955 0.729 1.00 0.00 O ATOM 722 CB LEU A 126 184.167 -6.848 -1.473 1.00 0.00 C ATOM 723 CG LEU A 126 182.816 -6.183 -1.739 1.00 0.00 C ATOM 724 CD1 LEU A 126 181.908 -7.159 -2.490 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.163 -5.805 -0.408 1.00 0.00 C ATOM 0 H LEU A 126 185.065 -5.318 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 126 184.765 -5.155 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.535 -7.324 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.057 -7.632 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 126 182.965 -5.286 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 126 180.944 -6.686 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.372 -7.432 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 126 181.760 -8.055 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.200 -5.331 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 126 182.014 -6.703 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 126 182.809 -5.112 0.130 1.00 0.00 H new ATOM 737 N LYS A 127 187.458 -6.615 -1.160 1.00 0.00 N ATOM 738 CA LYS A 127 188.676 -7.331 -0.664 1.00 0.00 C ATOM 739 C LYS A 127 189.223 -6.704 0.627 1.00 0.00 C ATOM 740 O LYS A 127 190.012 -7.314 1.325 1.00 0.00 O ATOM 741 CB LYS A 127 189.703 -7.178 -1.788 1.00 0.00 C ATOM 742 CG LYS A 127 190.778 -8.258 -1.651 1.00 0.00 C ATOM 743 CD LYS A 127 191.784 -8.128 -2.797 1.00 0.00 C ATOM 744 CE LYS A 127 192.405 -9.497 -3.103 1.00 0.00 C ATOM 745 NZ LYS A 127 193.815 -9.398 -2.631 1.00 0.00 N ATOM 0 H LYS A 127 187.531 -6.248 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 127 188.451 -8.371 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 127 189.211 -7.261 -2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 127 190.159 -6.189 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 127 191.288 -8.159 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 127 190.319 -9.247 -1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 127 191.288 -7.737 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 127 192.565 -7.416 -2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 127 191.872 -10.296 -2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 127 192.361 -9.721 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 194.304 -10.299 -2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 194.300 -8.634 -3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 193.826 -9.192 -1.612 1.00 0.00 H new ATOM 759 N GLY A 128 188.826 -5.494 0.949 1.00 0.00 N ATOM 760 CA GLY A 128 189.343 -4.842 2.189 1.00 0.00 C ATOM 761 C GLY A 128 188.213 -4.611 3.203 1.00 0.00 C ATOM 762 O GLY A 128 188.470 -4.269 4.343 1.00 0.00 O ATOM 0 H GLY A 128 188.168 -4.934 0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.116 -5.466 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 128 189.809 -3.890 1.936 1.00 0.00 H new ATOM 766 N VAL A 129 186.968 -4.781 2.812 1.00 0.00 N ATOM 767 CA VAL A 129 185.847 -4.553 3.778 1.00 0.00 C ATOM 768 C VAL A 129 185.829 -5.641 4.861 1.00 0.00 C ATOM 769 O VAL A 129 185.953 -6.820 4.590 1.00 0.00 O ATOM 770 CB VAL A 129 184.557 -4.556 2.939 1.00 0.00 C ATOM 771 CG1 VAL A 129 184.243 -5.973 2.430 1.00 0.00 C ATOM 772 CG2 VAL A 129 183.395 -4.054 3.802 1.00 0.00 C ATOM 0 H VAL A 129 186.684 -5.065 1.874 1.00 0.00 H new ATOM 0 HA VAL A 129 185.958 -3.608 4.309 1.00 0.00 H new ATOM 0 HB VAL A 129 184.695 -3.901 2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 129 183.327 -5.953 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 129 185.067 -6.328 1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 129 184.112 -6.644 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 129 182.478 -4.054 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 129 183.272 -4.710 4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 129 183.607 -3.041 4.144 1.00 0.00 H new ATOM 782 N GLU A 130 185.684 -5.225 6.090 1.00 0.00 N ATOM 783 CA GLU A 130 185.662 -6.184 7.232 1.00 0.00 C ATOM 784 C GLU A 130 184.233 -6.404 7.740 1.00 0.00 C ATOM 785 O GLU A 130 183.687 -5.595 8.465 1.00 0.00 O ATOM 786 CB GLU A 130 186.506 -5.509 8.315 1.00 0.00 C ATOM 787 CG GLU A 130 186.682 -6.465 9.496 1.00 0.00 C ATOM 788 CD GLU A 130 187.622 -5.838 10.528 1.00 0.00 C ATOM 789 OE1 GLU A 130 187.590 -4.627 10.673 1.00 0.00 O ATOM 790 OE2 GLU A 130 188.361 -6.580 11.156 1.00 0.00 O ATOM 0 H GLU A 130 185.578 -4.246 6.355 1.00 0.00 H new ATOM 0 HA GLU A 130 186.044 -7.164 6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 130 187.479 -5.230 7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 130 186.023 -4.590 8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 130 185.715 -6.678 9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 130 187.088 -7.416 9.150 1.00 0.00 H new ATOM 797 N VAL A 131 183.642 -7.515 7.381 1.00 0.00 N ATOM 798 CA VAL A 131 182.260 -7.829 7.856 1.00 0.00 C ATOM 799 C VAL A 131 182.349 -8.522 9.220 1.00 0.00 C ATOM 800 O VAL A 131 183.391 -9.028 9.595 1.00 0.00 O ATOM 801 CB VAL A 131 181.644 -8.762 6.796 1.00 0.00 C ATOM 802 CG1 VAL A 131 181.682 -8.079 5.426 1.00 0.00 C ATOM 803 CG2 VAL A 131 182.424 -10.085 6.731 1.00 0.00 C ATOM 0 H VAL A 131 184.060 -8.222 6.776 1.00 0.00 H new ATOM 0 HA VAL A 131 181.646 -6.936 7.978 1.00 0.00 H new ATOM 0 HB VAL A 131 180.611 -8.974 7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 131 181.246 -8.740 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 131 181.112 -7.151 5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 131 182.715 -7.859 5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 131 181.977 -10.734 5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 131 183.462 -9.883 6.466 1.00 0.00 H new ATOM 0 HG23 VAL A 131 182.387 -10.578 7.703 1.00 0.00 H new ATOM 813 N ASP A 132 181.276 -8.534 9.968 1.00 0.00 N ATOM 814 CA ASP A 132 181.311 -9.178 11.316 1.00 0.00 C ATOM 815 C ASP A 132 180.815 -10.625 11.249 1.00 0.00 C ATOM 816 O ASP A 132 180.523 -11.152 10.193 1.00 0.00 O ATOM 817 CB ASP A 132 180.375 -8.330 12.179 1.00 0.00 C ATOM 818 CG ASP A 132 180.996 -6.952 12.411 1.00 0.00 C ATOM 819 OD1 ASP A 132 182.210 -6.875 12.493 1.00 0.00 O ATOM 820 OD2 ASP A 132 180.245 -5.994 12.503 1.00 0.00 O ATOM 0 H ASP A 132 180.379 -8.127 9.705 1.00 0.00 H new ATOM 0 HA ASP A 132 182.323 -9.220 11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 132 179.407 -8.226 11.689 1.00 0.00 H new ATOM 0 HB3 ASP A 132 180.197 -8.825 13.134 1.00 0.00 H new ATOM 825 N SER A 133 180.733 -11.266 12.387 1.00 0.00 N ATOM 826 CA SER A 133 180.271 -12.692 12.438 1.00 0.00 C ATOM 827 C SER A 133 178.771 -12.826 12.114 1.00 0.00 C ATOM 828 O SER A 133 178.248 -13.925 12.076 1.00 0.00 O ATOM 829 CB SER A 133 180.547 -13.149 13.869 1.00 0.00 C ATOM 830 OG SER A 133 180.153 -12.126 14.773 1.00 0.00 O ATOM 0 H SER A 133 180.968 -10.861 13.293 1.00 0.00 H new ATOM 0 HA SER A 133 180.791 -13.297 11.695 1.00 0.00 H new ATOM 0 HB2 SER A 133 180.001 -14.068 14.081 1.00 0.00 H new ATOM 0 HB3 SER A 133 181.607 -13.372 13.994 1.00 0.00 H new ATOM 0 HG SER A 133 180.327 -12.417 15.692 1.00 0.00 H new ATOM 836 N ASN A 134 178.079 -11.740 11.860 1.00 0.00 N ATOM 837 CA ASN A 134 176.629 -11.834 11.515 1.00 0.00 C ATOM 838 C ASN A 134 176.413 -11.547 10.019 1.00 0.00 C ATOM 839 O ASN A 134 175.320 -11.709 9.508 1.00 0.00 O ATOM 840 CB ASN A 134 175.942 -10.773 12.375 1.00 0.00 C ATOM 841 CG ASN A 134 174.468 -11.137 12.555 1.00 0.00 C ATOM 842 OD1 ASN A 134 173.880 -11.779 11.706 1.00 0.00 O ATOM 843 ND2 ASN A 134 173.840 -10.755 13.633 1.00 0.00 N ATOM 0 H ASN A 134 178.458 -10.793 11.877 1.00 0.00 H new ATOM 0 HA ASN A 134 176.227 -12.829 11.704 1.00 0.00 H new ATOM 0 HB2 ASN A 134 176.432 -10.704 13.346 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.031 -9.794 11.903 1.00 0.00 H new ATOM 0 HD21 ASN A 134 172.857 -10.995 13.763 1.00 0.00 H new ATOM 0 HD22 ASN A 134 174.332 -10.216 14.346 1.00 0.00 H new ATOM 850 N GLY A 135 177.439 -11.122 9.313 1.00 0.00 N ATOM 851 CA GLY A 135 177.279 -10.827 7.858 1.00 0.00 C ATOM 852 C GLY A 135 176.734 -9.408 7.675 1.00 0.00 C ATOM 853 O GLY A 135 176.068 -9.111 6.701 1.00 0.00 O ATOM 0 H GLY A 135 178.376 -10.969 9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.238 -10.927 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.600 -11.549 7.403 1.00 0.00 H new ATOM 857 N GLU A 136 177.003 -8.536 8.614 1.00 0.00 N ATOM 858 CA GLU A 136 176.497 -7.137 8.515 1.00 0.00 C ATOM 859 C GLU A 136 177.636 -6.158 8.218 1.00 0.00 C ATOM 860 O GLU A 136 178.725 -6.262 8.746 1.00 0.00 O ATOM 861 CB GLU A 136 175.881 -6.839 9.884 1.00 0.00 C ATOM 862 CG GLU A 136 174.540 -7.568 10.010 1.00 0.00 C ATOM 863 CD GLU A 136 173.911 -7.267 11.376 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.651 -6.983 12.304 1.00 0.00 O ATOM 865 OE2 GLU A 136 172.695 -7.324 11.468 1.00 0.00 O ATOM 0 H GLU A 136 177.554 -8.736 9.448 1.00 0.00 H new ATOM 0 HA GLU A 136 175.777 -7.027 7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.557 -7.160 10.677 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.736 -5.765 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 136 173.868 -7.252 9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 136 174.687 -8.642 9.896 1.00 0.00 H new ATOM 872 N ILE A 137 177.364 -5.201 7.371 1.00 0.00 N ATOM 873 CA ILE A 137 178.388 -4.180 7.010 1.00 0.00 C ATOM 874 C ILE A 137 177.780 -2.786 7.197 1.00 0.00 C ATOM 875 O ILE A 137 176.586 -2.649 7.391 1.00 0.00 O ATOM 876 CB ILE A 137 178.720 -4.457 5.536 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.395 -5.828 5.419 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.675 -3.384 5.000 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.336 -6.933 5.339 1.00 0.00 C ATOM 0 H ILE A 137 176.463 -5.083 6.908 1.00 0.00 H new ATOM 0 HA ILE A 137 179.286 -4.226 7.626 1.00 0.00 H new ATOM 0 HB ILE A 137 177.798 -4.441 4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 137 180.028 -5.856 4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 137 180.043 -5.997 6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 137 179.904 -3.590 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 137 179.204 -2.404 5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.597 -3.394 5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 137 178.827 -7.902 5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 137 177.721 -6.914 6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 137 177.705 -6.770 4.465 1.00 0.00 H new ATOM 891 N ASP A 138 178.584 -1.755 7.143 1.00 0.00 N ATOM 892 CA ASP A 138 178.041 -0.375 7.320 1.00 0.00 C ATOM 893 C ASP A 138 177.793 0.274 5.953 1.00 0.00 C ATOM 894 O ASP A 138 178.712 0.519 5.196 1.00 0.00 O ATOM 895 CB ASP A 138 179.130 0.380 8.087 1.00 0.00 C ATOM 896 CG ASP A 138 178.614 1.763 8.499 1.00 0.00 C ATOM 897 OD1 ASP A 138 177.769 2.297 7.800 1.00 0.00 O ATOM 898 OD2 ASP A 138 179.078 2.266 9.510 1.00 0.00 O ATOM 0 H ASP A 138 179.590 -1.809 6.984 1.00 0.00 H new ATOM 0 HA ASP A 138 177.089 -0.367 7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 138 179.424 -0.186 8.971 1.00 0.00 H new ATOM 0 HB3 ASP A 138 180.019 0.484 7.465 1.00 0.00 H new ATOM 903 N TYR A 139 176.551 0.532 5.629 1.00 0.00 N ATOM 904 CA TYR A 139 176.223 1.143 4.301 1.00 0.00 C ATOM 905 C TYR A 139 176.772 2.571 4.184 1.00 0.00 C ATOM 906 O TYR A 139 177.175 2.999 3.118 1.00 0.00 O ATOM 907 CB TYR A 139 174.685 1.143 4.222 1.00 0.00 C ATOM 908 CG TYR A 139 174.084 2.032 5.291 1.00 0.00 C ATOM 909 CD1 TYR A 139 173.933 3.403 5.054 1.00 0.00 C ATOM 910 CD2 TYR A 139 173.666 1.482 6.509 1.00 0.00 C ATOM 911 CE1 TYR A 139 173.366 4.225 6.036 1.00 0.00 C ATOM 912 CE2 TYR A 139 173.101 2.304 7.490 1.00 0.00 C ATOM 913 CZ TYR A 139 172.951 3.675 7.253 1.00 0.00 C ATOM 914 OH TYR A 139 172.392 4.485 8.221 1.00 0.00 O ATOM 0 H TYR A 139 175.746 0.346 6.228 1.00 0.00 H new ATOM 0 HA TYR A 139 176.677 0.581 3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.368 1.488 3.238 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.312 0.126 4.339 1.00 0.00 H new ATOM 0 HD1 TYR A 139 174.254 3.827 4.114 1.00 0.00 H new ATOM 0 HD2 TYR A 139 173.780 0.424 6.691 1.00 0.00 H new ATOM 0 HE1 TYR A 139 173.249 5.283 5.854 1.00 0.00 H new ATOM 0 HE2 TYR A 139 172.781 1.880 8.430 1.00 0.00 H new ATOM 0 HH TYR A 139 171.458 4.226 8.365 1.00 0.00 H new ATOM 924 N LYS A 140 176.774 3.316 5.261 1.00 0.00 N ATOM 925 CA LYS A 140 177.277 4.724 5.197 1.00 0.00 C ATOM 926 C LYS A 140 178.792 4.747 4.972 1.00 0.00 C ATOM 927 O LYS A 140 179.317 5.603 4.285 1.00 0.00 O ATOM 928 CB LYS A 140 176.929 5.346 6.561 1.00 0.00 C ATOM 929 CG LYS A 140 175.953 6.508 6.368 1.00 0.00 C ATOM 930 CD LYS A 140 175.665 7.160 7.721 1.00 0.00 C ATOM 931 CE LYS A 140 175.254 8.619 7.510 1.00 0.00 C ATOM 932 NZ LYS A 140 175.158 9.193 8.882 1.00 0.00 N ATOM 0 H LYS A 140 176.450 3.012 6.179 1.00 0.00 H new ATOM 0 HA LYS A 140 176.826 5.275 4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 140 176.487 4.592 7.212 1.00 0.00 H new ATOM 0 HB3 LYS A 140 177.836 5.699 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 140 176.375 7.241 5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 140 175.026 6.148 5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 140 174.871 6.619 8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 140 176.549 7.109 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 140 175.989 9.154 6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 140 174.301 8.689 6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 174.880 10.193 8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 174.446 8.668 9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 176.081 9.118 9.355 1.00 0.00 H new ATOM 946 N LYS A 141 179.496 3.821 5.570 1.00 0.00 N ATOM 947 CA LYS A 141 180.983 3.787 5.426 1.00 0.00 C ATOM 948 C LYS A 141 181.404 3.379 4.010 1.00 0.00 C ATOM 949 O LYS A 141 182.312 3.953 3.439 1.00 0.00 O ATOM 950 CB LYS A 141 181.461 2.745 6.437 1.00 0.00 C ATOM 951 CG LYS A 141 181.261 3.281 7.857 1.00 0.00 C ATOM 952 CD LYS A 141 182.240 4.428 8.113 1.00 0.00 C ATOM 953 CE LYS A 141 182.226 4.788 9.600 1.00 0.00 C ATOM 954 NZ LYS A 141 182.630 6.220 9.654 1.00 0.00 N ATOM 0 H LYS A 141 179.103 3.083 6.155 1.00 0.00 H new ATOM 0 HA LYS A 141 181.417 4.771 5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 141 180.907 1.815 6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.513 2.515 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 141 180.236 3.629 7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 141 181.420 2.484 8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 141 183.245 4.137 7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 141 181.964 5.296 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 141 181.236 4.641 10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 141 182.917 4.162 10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 182.644 6.540 10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 183.579 6.329 9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 181.950 6.793 9.114 1.00 0.00 H new ATOM 968 N PHE A 142 180.773 2.373 3.455 1.00 0.00 N ATOM 969 CA PHE A 142 181.167 1.906 2.090 1.00 0.00 C ATOM 970 C PHE A 142 180.766 2.932 1.035 1.00 0.00 C ATOM 971 O PHE A 142 181.408 3.054 0.010 1.00 0.00 O ATOM 972 CB PHE A 142 180.438 0.577 1.875 1.00 0.00 C ATOM 973 CG PHE A 142 180.880 -0.047 0.569 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.245 -0.209 0.292 1.00 0.00 C ATOM 975 CD2 PHE A 142 179.924 -0.470 -0.363 1.00 0.00 C ATOM 976 CE1 PHE A 142 182.651 -0.793 -0.913 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.332 -1.056 -1.569 1.00 0.00 C ATOM 978 CZ PHE A 142 181.696 -1.217 -1.843 1.00 0.00 C ATOM 0 H PHE A 142 180.006 1.857 3.886 1.00 0.00 H new ATOM 0 HA PHE A 142 182.246 1.780 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 142 180.649 -0.101 2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.360 0.741 1.864 1.00 0.00 H new ATOM 0 HD1 PHE A 142 182.984 0.117 1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 142 178.872 -0.345 -0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 142 183.703 -0.917 -1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 142 179.595 -1.383 -2.287 1.00 0.00 H new ATOM 0 HZ PHE A 142 182.010 -1.669 -2.772 1.00 0.00 H new ATOM 988 N ILE A 143 179.730 3.686 1.285 1.00 0.00 N ATOM 989 CA ILE A 143 179.300 4.726 0.305 1.00 0.00 C ATOM 990 C ILE A 143 180.242 5.934 0.393 1.00 0.00 C ATOM 991 O ILE A 143 180.700 6.440 -0.615 1.00 0.00 O ATOM 992 CB ILE A 143 177.867 5.089 0.720 1.00 0.00 C ATOM 993 CG1 ILE A 143 176.953 3.886 0.482 1.00 0.00 C ATOM 994 CG2 ILE A 143 177.360 6.273 -0.103 1.00 0.00 C ATOM 995 CD1 ILE A 143 175.606 4.124 1.167 1.00 0.00 C ATOM 0 H ILE A 143 179.160 3.627 2.129 1.00 0.00 H new ATOM 0 HA ILE A 143 179.333 4.383 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 143 177.863 5.361 1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 143 176.807 3.733 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 143 177.417 2.981 0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 143 176.343 6.519 0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 143 178.007 7.135 0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 143 177.368 6.011 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 143 174.955 3.266 0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 143 175.761 4.256 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 143 175.141 5.020 0.755 1.00 0.00 H new ATOM 1007 N GLU A 144 180.552 6.387 1.582 1.00 0.00 N ATOM 1008 CA GLU A 144 181.485 7.552 1.724 1.00 0.00 C ATOM 1009 C GLU A 144 182.839 7.210 1.095 1.00 0.00 C ATOM 1010 O GLU A 144 183.551 8.087 0.642 1.00 0.00 O ATOM 1011 CB GLU A 144 181.635 7.771 3.229 1.00 0.00 C ATOM 1012 CG GLU A 144 180.325 8.315 3.802 1.00 0.00 C ATOM 1013 CD GLU A 144 180.103 9.743 3.301 1.00 0.00 C ATOM 1014 OE1 GLU A 144 180.982 10.564 3.505 1.00 0.00 O ATOM 1015 OE2 GLU A 144 179.058 9.991 2.724 1.00 0.00 O ATOM 0 H GLU A 144 180.202 6.003 2.460 1.00 0.00 H new ATOM 0 HA GLU A 144 181.110 8.445 1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 144 181.896 6.833 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 144 182.448 8.470 3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 144 179.492 7.679 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 144 180.359 8.302 4.891 1.00 0.00 H new ATOM 1022 N ASP A 145 183.192 5.950 1.043 1.00 0.00 N ATOM 1023 CA ASP A 145 184.491 5.566 0.416 1.00 0.00 C ATOM 1024 C ASP A 145 184.306 5.322 -1.094 1.00 0.00 C ATOM 1025 O ASP A 145 185.270 5.249 -1.832 1.00 0.00 O ATOM 1026 CB ASP A 145 184.953 4.299 1.137 1.00 0.00 C ATOM 1027 CG ASP A 145 186.436 4.060 0.850 1.00 0.00 C ATOM 1028 OD1 ASP A 145 186.769 3.846 -0.303 1.00 0.00 O ATOM 1029 OD2 ASP A 145 187.214 4.094 1.789 1.00 0.00 O ATOM 0 H ASP A 145 182.638 5.174 1.406 1.00 0.00 H new ATOM 0 HA ASP A 145 185.236 6.356 0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 145 184.791 4.399 2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 145 184.365 3.444 0.804 1.00 0.00 H new ATOM 1034 N VAL A 146 183.081 5.243 -1.566 1.00 0.00 N ATOM 1035 CA VAL A 146 182.848 5.060 -3.031 1.00 0.00 C ATOM 1036 C VAL A 146 182.598 6.444 -3.648 1.00 0.00 C ATOM 1037 O VAL A 146 183.105 6.775 -4.702 1.00 0.00 O ATOM 1038 CB VAL A 146 181.610 4.156 -3.133 1.00 0.00 C ATOM 1039 CG1 VAL A 146 181.132 4.067 -4.587 1.00 0.00 C ATOM 1040 CG2 VAL A 146 181.971 2.752 -2.643 1.00 0.00 C ATOM 0 H VAL A 146 182.236 5.298 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 146 183.688 4.610 -3.560 1.00 0.00 H new ATOM 0 HB VAL A 146 180.814 4.578 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 146 180.254 3.423 -4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 146 180.875 5.063 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 146 181.927 3.651 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 146 181.096 2.106 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 146 182.772 2.346 -3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 146 182.302 2.803 -1.606 1.00 0.00 H new ATOM 1050 N LEU A 147 181.830 7.254 -2.966 1.00 0.00 N ATOM 1051 CA LEU A 147 181.534 8.638 -3.457 1.00 0.00 C ATOM 1052 C LEU A 147 182.824 9.428 -3.716 1.00 0.00 C ATOM 1053 O LEU A 147 182.821 10.403 -4.444 1.00 0.00 O ATOM 1054 CB LEU A 147 180.727 9.296 -2.335 1.00 0.00 C ATOM 1055 CG LEU A 147 179.244 8.968 -2.513 1.00 0.00 C ATOM 1056 CD1 LEU A 147 178.480 9.354 -1.245 1.00 0.00 C ATOM 1057 CD2 LEU A 147 178.686 9.756 -3.702 1.00 0.00 C ATOM 0 H LEU A 147 181.389 7.014 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 147 180.992 8.616 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 147 181.075 8.940 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 147 180.876 10.376 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 147 179.129 7.900 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 147 177.423 9.120 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 147 178.876 8.795 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 147 178.596 10.422 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 147 177.629 9.523 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 147 178.802 10.824 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 147 179.229 9.483 -4.607 1.00 0.00 H new ATOM 1069 N ARG A 148 183.923 9.019 -3.129 1.00 0.00 N ATOM 1070 CA ARG A 148 185.213 9.750 -3.347 1.00 0.00 C ATOM 1071 C ARG A 148 185.568 9.765 -4.836 1.00 0.00 C ATOM 1072 O ARG A 148 186.037 10.757 -5.362 1.00 0.00 O ATOM 1073 CB ARG A 148 186.260 8.959 -2.558 1.00 0.00 C ATOM 1074 CG ARG A 148 186.012 9.139 -1.059 1.00 0.00 C ATOM 1075 CD ARG A 148 186.866 8.139 -0.275 1.00 0.00 C ATOM 1076 NE ARG A 148 188.270 8.599 -0.465 1.00 0.00 N ATOM 1077 CZ ARG A 148 188.793 9.457 0.368 1.00 0.00 C ATOM 1078 NH1 ARG A 148 188.771 9.216 1.651 1.00 0.00 N ATOM 1079 NH2 ARG A 148 189.338 10.553 -0.081 1.00 0.00 N ATOM 0 H ARG A 148 183.983 8.211 -2.509 1.00 0.00 H new ATOM 0 HA ARG A 148 185.156 10.789 -3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 148 186.208 7.903 -2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 148 187.262 9.303 -2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 148 186.258 10.157 -0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 148 184.956 8.987 -0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 148 186.593 8.129 0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 148 186.729 7.124 -0.649 1.00 0.00 H new ATOM 0 HE ARG A 148 188.822 8.244 -1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 148 188.345 8.358 2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 148 189.179 9.886 2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 148 189.356 10.740 -1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 148 189.747 11.223 0.570 1.00 0.00 H new ATOM 1093 N GLN A 149 185.344 8.669 -5.520 1.00 0.00 N ATOM 1094 CA GLN A 149 185.661 8.612 -6.978 1.00 0.00 C ATOM 1095 C GLN A 149 184.443 8.118 -7.763 1.00 0.00 C ATOM 1096 O GLN A 149 183.849 7.139 -7.343 1.00 0.00 O ATOM 1097 CB GLN A 149 186.815 7.615 -7.098 1.00 0.00 C ATOM 1098 CG GLN A 149 188.117 8.283 -6.651 1.00 0.00 C ATOM 1099 CD GLN A 149 189.278 7.300 -6.814 1.00 0.00 C ATOM 1100 OE1 GLN A 149 189.133 6.123 -6.550 1.00 0.00 O ATOM 1101 NE2 GLN A 149 190.431 7.737 -7.241 1.00 0.00 N ATOM 1102 OXT GLN A 149 184.128 8.727 -8.772 1.00 0.00 O ATOM 0 H GLN A 149 184.955 7.811 -5.129 1.00 0.00 H new ATOM 0 HA GLN A 149 185.926 9.590 -7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 149 186.616 6.736 -6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 149 186.906 7.270 -8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 149 188.300 9.180 -7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 149 188.037 8.599 -5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 149 190.552 8.725 -7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 149 191.212 7.090 -7.353 1.00 0.00 H new TER 1111 GLN A 149