USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 716 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 82 HIS : no HD1:sc= 0.00351 K(o=0.28,f=-8.1!) USER MOD Set 1.2: A 94 SER OG : rot -87:sc= 0.278 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.102 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -132:sc= -0.202 (180deg=-1.28) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -164:sc= -3.9! (180deg=-4.67!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= -0.027 (180deg=-0.232) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.617 K(o=-0.62,f=-2.8!) USER MOD Single : A 73 MET CE :methyl 140:sc= -0.821 (180deg=-3.6!) USER MOD Single : A 74 ASN : amide:sc= -0.0169 K(o=-0.017,f=-0.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -150:sc= 0 USER MOD Single : A 92 SER OG : rot -90:sc= 0.927 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -153:sc=-0.000982 (180deg=-1.3) USER MOD Single : A 108 LYS NZ :NH3+ -149:sc= -0.18 (180deg=-1.14) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 79:sc=0.000503 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 23:sc= 0.451 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= -0.0377 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 12.942 17.076 14.873 1.00 0.00 N ATOM 2 CA GLY A 37 12.334 16.837 16.168 1.00 0.00 C ATOM 3 C GLY A 37 13.276 17.142 17.316 1.00 0.00 C ATOM 4 O GLY A 37 14.462 17.396 17.104 1.00 0.00 O ATOM 0 HA2 GLY A 37 11.438 17.451 16.264 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.016 15.796 16.230 1.00 0.00 H new ATOM 8 N SER A 38 12.748 17.119 18.536 1.00 0.00 N ATOM 9 CA SER A 38 13.549 17.400 19.721 1.00 0.00 C ATOM 10 C SER A 38 14.870 16.639 19.678 1.00 0.00 C ATOM 11 O SER A 38 15.945 17.234 19.759 1.00 0.00 O ATOM 12 CB SER A 38 12.774 17.027 20.986 1.00 0.00 C ATOM 13 OG SER A 38 13.358 17.617 22.135 1.00 0.00 O ATOM 0 H SER A 38 11.769 16.909 18.729 1.00 0.00 H new ATOM 0 HA SER A 38 13.766 18.468 19.737 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.739 17.354 20.892 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.756 15.943 21.099 1.00 0.00 H new ATOM 0 HG SER A 38 12.843 17.365 22.930 1.00 0.00 H new ATOM 19 N SER A 39 14.781 15.319 19.548 1.00 0.00 N ATOM 20 CA SER A 39 15.969 14.474 19.498 1.00 0.00 C ATOM 21 C SER A 39 15.942 13.574 18.266 1.00 0.00 C ATOM 22 O SER A 39 14.884 13.312 17.697 1.00 0.00 O ATOM 23 CB SER A 39 16.069 13.623 20.765 1.00 0.00 C ATOM 24 OG SER A 39 15.034 12.656 20.812 1.00 0.00 O ATOM 0 H SER A 39 13.899 14.812 19.475 1.00 0.00 H new ATOM 0 HA SER A 39 16.844 15.121 19.435 1.00 0.00 H new ATOM 0 HB2 SER A 39 17.038 13.125 20.797 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.011 14.265 21.644 1.00 0.00 H new ATOM 0 HG SER A 39 15.121 12.124 21.630 1.00 0.00 H new ATOM 30 N GLY A 40 17.117 13.101 17.861 1.00 0.00 N ATOM 31 CA GLY A 40 17.208 12.235 16.700 1.00 0.00 C ATOM 32 C GLY A 40 17.156 10.766 17.068 1.00 0.00 C ATOM 33 O GLY A 40 17.971 10.287 17.857 1.00 0.00 O ATOM 0 H GLY A 40 18.007 13.302 18.316 1.00 0.00 H new ATOM 0 HA2 GLY A 40 16.392 12.464 16.015 1.00 0.00 H new ATOM 0 HA3 GLY A 40 18.137 12.441 16.169 1.00 0.00 H new ATOM 37 N SER A 41 16.195 10.048 16.496 1.00 0.00 N ATOM 38 CA SER A 41 16.036 8.625 16.772 1.00 0.00 C ATOM 39 C SER A 41 16.494 7.786 15.583 1.00 0.00 C ATOM 40 O SER A 41 16.564 8.274 14.455 1.00 0.00 O ATOM 41 CB SER A 41 14.577 8.307 17.103 1.00 0.00 C ATOM 42 OG SER A 41 14.372 6.910 17.220 1.00 0.00 O ATOM 0 H SER A 41 15.514 10.428 15.838 1.00 0.00 H new ATOM 0 HA SER A 41 16.658 8.376 17.632 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.297 8.798 18.035 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.929 8.709 16.324 1.00 0.00 H new ATOM 0 HG SER A 41 13.432 6.734 17.434 1.00 0.00 H new ATOM 48 N SER A 42 16.805 6.520 15.844 1.00 0.00 N ATOM 49 CA SER A 42 17.260 5.613 14.797 1.00 0.00 C ATOM 50 C SER A 42 16.108 5.225 13.876 1.00 0.00 C ATOM 51 O SER A 42 15.000 4.946 14.333 1.00 0.00 O ATOM 52 CB SER A 42 17.880 4.358 15.414 1.00 0.00 C ATOM 53 OG SER A 42 16.901 3.580 16.080 1.00 0.00 O ATOM 0 H SER A 42 16.750 6.099 16.772 1.00 0.00 H new ATOM 0 HA SER A 42 18.016 6.130 14.206 1.00 0.00 H new ATOM 0 HB2 SER A 42 18.354 3.762 14.634 1.00 0.00 H new ATOM 0 HB3 SER A 42 18.662 4.643 16.117 1.00 0.00 H new ATOM 0 HG SER A 42 17.322 2.783 16.464 1.00 0.00 H new ATOM 59 N GLY A 43 16.378 5.208 12.574 1.00 0.00 N ATOM 60 CA GLY A 43 15.355 4.853 11.609 1.00 0.00 C ATOM 61 C GLY A 43 14.208 5.844 11.588 1.00 0.00 C ATOM 62 O GLY A 43 13.155 5.596 12.173 1.00 0.00 O ATOM 0 H GLY A 43 17.287 5.434 12.171 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.801 4.797 10.616 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.969 3.860 11.842 1.00 0.00 H new ATOM 66 N GLN A 44 14.415 6.971 10.913 1.00 0.00 N ATOM 67 CA GLN A 44 13.390 8.004 10.820 1.00 0.00 C ATOM 68 C GLN A 44 12.329 7.628 9.792 1.00 0.00 C ATOM 69 O GLN A 44 12.530 6.726 8.978 1.00 0.00 O ATOM 70 CB GLN A 44 14.022 9.347 10.451 1.00 0.00 C ATOM 71 CG GLN A 44 14.576 10.107 11.645 1.00 0.00 C ATOM 72 CD GLN A 44 15.380 11.327 11.238 1.00 0.00 C ATOM 73 OE1 GLN A 44 16.531 11.214 10.817 1.00 0.00 O ATOM 74 NE2 GLN A 44 14.775 12.503 11.361 1.00 0.00 N ATOM 0 H GLN A 44 15.282 7.191 10.423 1.00 0.00 H new ATOM 0 HA GLN A 44 12.909 8.092 11.794 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.826 9.176 9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.276 9.965 9.952 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.752 10.417 12.288 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.206 9.441 12.234 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.819 12.550 11.715 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.266 13.359 11.102 1.00 0.00 H new ATOM 83 N LYS A 45 11.198 8.324 9.834 1.00 0.00 N ATOM 84 CA LYS A 45 10.104 8.065 8.905 1.00 0.00 C ATOM 85 C LYS A 45 10.249 8.909 7.644 1.00 0.00 C ATOM 86 O LYS A 45 10.005 8.434 6.535 1.00 0.00 O ATOM 87 CB LYS A 45 8.759 8.356 9.575 1.00 0.00 C ATOM 88 CG LYS A 45 8.205 7.183 10.364 1.00 0.00 C ATOM 89 CD LYS A 45 8.867 7.065 11.727 1.00 0.00 C ATOM 90 CE LYS A 45 8.158 7.918 12.767 1.00 0.00 C ATOM 91 NZ LYS A 45 8.703 9.303 12.814 1.00 0.00 N ATOM 0 H LYS A 45 11.015 9.073 10.502 1.00 0.00 H new ATOM 0 HA LYS A 45 10.142 7.013 8.622 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.873 9.210 10.242 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.037 8.642 8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.129 7.304 10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.358 6.261 9.803 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.863 6.023 12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.910 7.372 11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.092 7.955 12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.260 7.454 13.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.890 9.569 13.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.589 9.346 12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.012 9.962 12.402 1.00 0.00 H new ATOM 105 N VAL A 46 10.651 10.164 7.820 1.00 0.00 N ATOM 106 CA VAL A 46 10.832 11.074 6.695 1.00 0.00 C ATOM 107 C VAL A 46 11.330 10.331 5.461 1.00 0.00 C ATOM 108 O VAL A 46 10.648 10.280 4.438 1.00 0.00 O ATOM 109 CB VAL A 46 11.825 12.200 7.038 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.052 13.099 5.832 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.325 13.007 8.228 1.00 0.00 C ATOM 0 H VAL A 46 10.857 10.574 8.731 1.00 0.00 H new ATOM 0 HA VAL A 46 9.857 11.512 6.483 1.00 0.00 H new ATOM 0 HB VAL A 46 12.779 11.748 7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.756 13.888 6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.457 12.509 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.105 13.544 5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.039 13.798 8.457 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.358 13.449 7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.220 12.352 9.093 1.00 0.00 H new ATOM 121 N GLU A 47 12.523 9.755 5.566 1.00 0.00 N ATOM 122 CA GLU A 47 13.113 9.014 4.457 1.00 0.00 C ATOM 123 C GLU A 47 12.097 8.056 3.841 1.00 0.00 C ATOM 124 O GLU A 47 11.825 8.109 2.641 1.00 0.00 O ATOM 125 CB GLU A 47 14.342 8.235 4.931 1.00 0.00 C ATOM 126 CG GLU A 47 15.629 9.040 4.882 1.00 0.00 C ATOM 127 CD GLU A 47 16.640 8.588 5.918 1.00 0.00 C ATOM 128 OE1 GLU A 47 16.274 8.513 7.109 1.00 0.00 O ATOM 129 OE2 GLU A 47 17.796 8.311 5.537 1.00 0.00 O ATOM 0 H GLU A 47 13.100 9.787 6.407 1.00 0.00 H new ATOM 0 HA GLU A 47 13.418 9.732 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.174 7.895 5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.457 7.344 4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.069 8.954 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.400 10.094 5.039 1.00 0.00 H new ATOM 136 N PHE A 48 11.538 7.181 4.671 1.00 0.00 N ATOM 137 CA PHE A 48 10.553 6.210 4.209 1.00 0.00 C ATOM 138 C PHE A 48 9.512 6.876 3.314 1.00 0.00 C ATOM 139 O PHE A 48 9.384 6.539 2.136 1.00 0.00 O ATOM 140 CB PHE A 48 9.865 5.543 5.402 1.00 0.00 C ATOM 141 CG PHE A 48 8.774 4.589 5.008 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.080 3.359 4.449 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.443 4.923 5.197 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.077 2.480 4.084 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.436 4.048 4.835 1.00 0.00 C ATOM 146 CZ PHE A 48 6.754 2.824 4.279 1.00 0.00 C ATOM 0 H PHE A 48 11.751 7.125 5.667 1.00 0.00 H new ATOM 0 HA PHE A 48 11.074 5.450 3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.611 5.007 5.988 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.446 6.315 6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.113 3.084 4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.189 5.878 5.632 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.328 1.525 3.647 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.402 4.321 4.987 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.969 2.137 3.997 1.00 0.00 H new ATOM 156 N ARG A 49 8.770 7.821 3.881 1.00 0.00 N ATOM 157 CA ARG A 49 7.739 8.533 3.136 1.00 0.00 C ATOM 158 C ARG A 49 8.238 8.913 1.745 1.00 0.00 C ATOM 159 O ARG A 49 7.544 8.710 0.748 1.00 0.00 O ATOM 160 CB ARG A 49 7.306 9.789 3.895 1.00 0.00 C ATOM 161 CG ARG A 49 5.932 10.300 3.494 1.00 0.00 C ATOM 162 CD ARG A 49 5.391 11.297 4.507 1.00 0.00 C ATOM 163 NE ARG A 49 4.316 12.113 3.951 1.00 0.00 N ATOM 164 CZ ARG A 49 3.939 13.280 4.462 1.00 0.00 C ATOM 165 NH1 ARG A 49 4.549 13.765 5.535 1.00 0.00 N ATOM 166 NH2 ARG A 49 2.952 13.965 3.899 1.00 0.00 N ATOM 0 H ARG A 49 8.864 8.112 4.854 1.00 0.00 H new ATOM 0 HA ARG A 49 6.881 7.869 3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.307 9.576 4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.041 10.576 3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.990 10.772 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.242 9.461 3.404 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.024 10.761 5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.200 11.945 4.846 1.00 0.00 H new ATOM 0 HE ARG A 49 3.827 11.768 3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.309 13.242 5.970 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.258 14.661 5.926 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.482 13.596 3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.664 14.861 4.292 1.00 0.00 H new ATOM 180 N LYS A 50 9.444 9.466 1.685 1.00 0.00 N ATOM 181 CA LYS A 50 10.038 9.874 0.418 1.00 0.00 C ATOM 182 C LYS A 50 10.003 8.732 -0.593 1.00 0.00 C ATOM 183 O LYS A 50 9.423 8.861 -1.671 1.00 0.00 O ATOM 184 CB LYS A 50 11.481 10.336 0.632 1.00 0.00 C ATOM 185 CG LYS A 50 11.626 11.403 1.702 1.00 0.00 C ATOM 186 CD LYS A 50 11.507 12.800 1.116 1.00 0.00 C ATOM 187 CE LYS A 50 12.797 13.230 0.435 1.00 0.00 C ATOM 188 NZ LYS A 50 12.725 14.635 -0.053 1.00 0.00 N ATOM 0 H LYS A 50 10.030 9.642 2.501 1.00 0.00 H new ATOM 0 HA LYS A 50 9.453 10.704 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.092 9.476 0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.873 10.721 -0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.860 11.261 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.592 11.296 2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.688 12.826 0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.258 13.508 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.627 13.131 1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.004 12.565 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.623 14.890 -0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.949 14.725 -0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.552 15.273 0.750 1.00 0.00 H new ATOM 202 N ARG A 51 10.625 7.613 -0.236 1.00 0.00 N ATOM 203 CA ARG A 51 10.665 6.448 -1.111 1.00 0.00 C ATOM 204 C ARG A 51 9.278 6.140 -1.669 1.00 0.00 C ATOM 205 O ARG A 51 9.102 6.001 -2.879 1.00 0.00 O ATOM 206 CB ARG A 51 11.203 5.232 -0.354 1.00 0.00 C ATOM 207 CG ARG A 51 11.753 4.144 -1.261 1.00 0.00 C ATOM 208 CD ARG A 51 12.052 2.871 -0.486 1.00 0.00 C ATOM 209 NE ARG A 51 11.905 1.678 -1.316 1.00 0.00 N ATOM 210 CZ ARG A 51 12.857 1.222 -2.123 1.00 0.00 C ATOM 211 NH1 ARG A 51 14.017 1.857 -2.209 1.00 0.00 N ATOM 212 NH2 ARG A 51 12.648 0.130 -2.847 1.00 0.00 N ATOM 0 H ARG A 51 11.108 7.489 0.654 1.00 0.00 H new ATOM 0 HA ARG A 51 11.332 6.673 -1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.989 5.557 0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.404 4.813 0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.034 3.930 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.663 4.498 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.068 2.916 -0.093 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.381 2.802 0.370 1.00 0.00 H new ATOM 0 HE ARG A 51 11.023 1.167 -1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.181 2.698 -1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.746 1.505 -2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.756 -0.360 -2.784 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.380 -0.219 -3.466 1.00 0.00 H new ATOM 226 N MET A 52 8.298 6.035 -0.778 1.00 0.00 N ATOM 227 CA MET A 52 6.927 5.744 -1.182 1.00 0.00 C ATOM 228 C MET A 52 6.470 6.697 -2.282 1.00 0.00 C ATOM 229 O MET A 52 5.900 6.271 -3.286 1.00 0.00 O ATOM 230 CB MET A 52 5.986 5.846 0.020 1.00 0.00 C ATOM 231 CG MET A 52 6.022 4.626 0.926 1.00 0.00 C ATOM 232 SD MET A 52 7.633 4.383 1.699 1.00 0.00 S ATOM 233 CE MET A 52 8.415 3.288 0.516 1.00 0.00 C ATOM 0 H MET A 52 8.427 6.147 0.228 1.00 0.00 H new ATOM 0 HA MET A 52 6.898 4.727 -1.572 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.249 6.729 0.603 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.967 5.992 -0.338 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.263 4.732 1.701 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.764 3.740 0.346 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.288 2.822 0.973 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.708 2.515 0.213 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.725 3.859 -0.359 1.00 0.00 H new ATOM 243 N GLU A 53 6.725 7.986 -2.086 1.00 0.00 N ATOM 244 CA GLU A 53 6.339 8.998 -3.062 1.00 0.00 C ATOM 245 C GLU A 53 6.882 8.655 -4.446 1.00 0.00 C ATOM 246 O GLU A 53 6.160 8.713 -5.441 1.00 0.00 O ATOM 247 CB GLU A 53 6.847 10.376 -2.630 1.00 0.00 C ATOM 248 CG GLU A 53 6.316 10.825 -1.279 1.00 0.00 C ATOM 249 CD GLU A 53 7.108 11.977 -0.694 1.00 0.00 C ATOM 250 OE1 GLU A 53 8.274 12.163 -1.104 1.00 0.00 O ATOM 251 OE2 GLU A 53 6.564 12.693 0.172 1.00 0.00 O ATOM 0 H GLU A 53 7.197 8.355 -1.260 1.00 0.00 H new ATOM 0 HA GLU A 53 5.250 9.019 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.936 10.358 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.565 11.111 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.273 11.123 -1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.340 9.984 -0.586 1.00 0.00 H new ATOM 258 N LYS A 54 8.160 8.296 -4.501 1.00 0.00 N ATOM 259 CA LYS A 54 8.802 7.942 -5.761 1.00 0.00 C ATOM 260 C LYS A 54 8.232 6.640 -6.316 1.00 0.00 C ATOM 261 O LYS A 54 7.874 6.560 -7.490 1.00 0.00 O ATOM 262 CB LYS A 54 10.314 7.806 -5.567 1.00 0.00 C ATOM 263 CG LYS A 54 11.109 7.969 -6.851 1.00 0.00 C ATOM 264 CD LYS A 54 11.319 9.434 -7.195 1.00 0.00 C ATOM 265 CE LYS A 54 10.173 9.978 -8.034 1.00 0.00 C ATOM 266 NZ LYS A 54 10.621 11.068 -8.944 1.00 0.00 N ATOM 0 H LYS A 54 8.772 8.243 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 54 8.604 8.740 -6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.648 8.552 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.530 6.828 -5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.076 7.477 -6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.586 7.474 -7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.408 10.015 -6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.257 9.551 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.738 9.170 -8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.388 10.353 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.811 11.412 -9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.013 11.850 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.352 10.704 -9.588 1.00 0.00 H new ATOM 280 N GLU A 55 8.148 5.625 -5.462 1.00 0.00 N ATOM 281 CA GLU A 55 7.620 4.328 -5.868 1.00 0.00 C ATOM 282 C GLU A 55 6.197 4.463 -6.403 1.00 0.00 C ATOM 283 O GLU A 55 5.929 4.169 -7.568 1.00 0.00 O ATOM 284 CB GLU A 55 7.643 3.352 -4.690 1.00 0.00 C ATOM 285 CG GLU A 55 9.042 3.030 -4.193 1.00 0.00 C ATOM 286 CD GLU A 55 9.939 2.485 -5.287 1.00 0.00 C ATOM 287 OE1 GLU A 55 9.488 1.592 -6.035 1.00 0.00 O ATOM 288 OE2 GLU A 55 11.093 2.951 -5.395 1.00 0.00 O ATOM 0 H GLU A 55 8.439 5.676 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 55 8.254 3.940 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.063 3.773 -3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.150 2.426 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.491 3.931 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.978 2.302 -3.385 1.00 0.00 H new ATOM 295 N VAL A 56 5.287 4.909 -5.542 1.00 0.00 N ATOM 296 CA VAL A 56 3.892 5.084 -5.927 1.00 0.00 C ATOM 297 C VAL A 56 3.777 5.806 -7.265 1.00 0.00 C ATOM 298 O VAL A 56 3.181 5.291 -8.211 1.00 0.00 O ATOM 299 CB VAL A 56 3.111 5.875 -4.861 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.704 6.186 -5.350 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.070 5.104 -3.550 1.00 0.00 C ATOM 0 H VAL A 56 5.491 5.155 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 56 3.461 4.087 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 56 3.626 6.820 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.168 6.745 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.759 6.781 -6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.176 5.255 -5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.514 5.677 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.580 4.143 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.087 4.938 -3.194 1.00 0.00 H new ATOM 311 N SER A 57 4.353 7.002 -7.337 1.00 0.00 N ATOM 312 CA SER A 57 4.313 7.797 -8.559 1.00 0.00 C ATOM 313 C SER A 57 4.629 6.936 -9.778 1.00 0.00 C ATOM 314 O SER A 57 3.821 6.826 -10.701 1.00 0.00 O ATOM 315 CB SER A 57 5.305 8.958 -8.470 1.00 0.00 C ATOM 316 OG SER A 57 4.899 10.040 -9.291 1.00 0.00 O ATOM 0 H SER A 57 4.853 7.441 -6.564 1.00 0.00 H new ATOM 0 HA SER A 57 3.305 8.197 -8.670 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.386 9.293 -7.436 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.295 8.618 -8.774 1.00 0.00 H new ATOM 0 HG SER A 57 5.549 10.770 -9.215 1.00 0.00 H new ATOM 322 N ASP A 58 5.810 6.327 -9.774 1.00 0.00 N ATOM 323 CA ASP A 58 6.234 5.474 -10.879 1.00 0.00 C ATOM 324 C ASP A 58 5.132 4.491 -11.261 1.00 0.00 C ATOM 325 O ASP A 58 4.846 4.291 -12.441 1.00 0.00 O ATOM 326 CB ASP A 58 7.506 4.713 -10.504 1.00 0.00 C ATOM 327 CG ASP A 58 8.135 4.015 -11.693 1.00 0.00 C ATOM 328 OD1 ASP A 58 8.241 4.647 -12.765 1.00 0.00 O ATOM 329 OD2 ASP A 58 8.523 2.836 -11.553 1.00 0.00 O ATOM 0 H ASP A 58 6.490 6.408 -9.018 1.00 0.00 H new ATOM 0 HA ASP A 58 6.441 6.111 -11.739 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.227 5.407 -10.071 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.272 3.976 -9.736 1.00 0.00 H new ATOM 334 N PHE A 59 4.517 3.880 -10.254 1.00 0.00 N ATOM 335 CA PHE A 59 3.447 2.916 -10.484 1.00 0.00 C ATOM 336 C PHE A 59 2.247 3.583 -11.149 1.00 0.00 C ATOM 337 O PHE A 59 1.626 3.015 -12.048 1.00 0.00 O ATOM 338 CB PHE A 59 3.020 2.271 -9.164 1.00 0.00 C ATOM 339 CG PHE A 59 1.639 1.681 -9.204 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.528 2.468 -8.950 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.452 0.339 -9.495 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.745 1.929 -8.986 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.183 -0.205 -9.533 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.917 0.590 -9.277 1.00 0.00 C ATOM 0 H PHE A 59 4.741 4.035 -9.271 1.00 0.00 H new ATOM 0 HA PHE A 59 3.826 2.143 -11.152 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.733 1.489 -8.904 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.064 3.019 -8.372 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.657 3.515 -8.721 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.308 -0.288 -9.694 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.603 2.554 -8.787 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.051 -1.252 -9.763 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.910 0.165 -9.304 1.00 0.00 H new ATOM 354 N ILE A 60 1.925 4.791 -10.699 1.00 0.00 N ATOM 355 CA ILE A 60 0.800 5.537 -11.249 1.00 0.00 C ATOM 356 C ILE A 60 0.915 5.666 -12.765 1.00 0.00 C ATOM 357 O ILE A 60 -0.001 5.298 -13.499 1.00 0.00 O ATOM 358 CB ILE A 60 0.701 6.944 -10.632 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.216 6.856 -9.183 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.232 7.819 -11.455 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.456 8.120 -8.387 1.00 0.00 C ATOM 0 H ILE A 60 2.428 5.274 -9.955 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.101 4.977 -11.001 1.00 0.00 H new ATOM 0 HB ILE A 60 1.692 7.397 -10.638 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.850 6.631 -9.179 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.720 6.025 -8.690 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.291 8.810 -11.006 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.151 7.904 -12.472 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.225 7.371 -11.478 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.087 7.985 -7.370 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.524 8.336 -8.360 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.070 8.951 -8.856 1.00 0.00 H new ATOM 373 N GLN A 61 2.047 6.189 -13.224 1.00 0.00 N ATOM 374 CA GLN A 61 2.282 6.366 -14.652 1.00 0.00 C ATOM 375 C GLN A 61 2.181 5.035 -15.389 1.00 0.00 C ATOM 376 O GLN A 61 1.563 4.946 -16.450 1.00 0.00 O ATOM 377 CB GLN A 61 3.658 6.991 -14.891 1.00 0.00 C ATOM 378 CG GLN A 61 3.858 8.314 -14.168 1.00 0.00 C ATOM 379 CD GLN A 61 5.311 8.745 -14.132 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.084 8.440 -15.042 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.692 9.458 -13.079 1.00 0.00 N ATOM 0 H GLN A 61 2.815 6.497 -12.628 1.00 0.00 H new ATOM 0 HA GLN A 61 1.514 7.035 -15.040 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.428 6.290 -14.568 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.797 7.146 -15.961 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.266 9.086 -14.660 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.483 8.227 -13.148 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.019 9.688 -12.348 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.658 9.776 -13.001 1.00 0.00 H new ATOM 390 N ASP A 62 2.793 4.001 -14.820 1.00 0.00 N ATOM 391 CA ASP A 62 2.772 2.674 -15.423 1.00 0.00 C ATOM 392 C ASP A 62 1.340 2.172 -15.581 1.00 0.00 C ATOM 393 O ASP A 62 0.701 1.770 -14.608 1.00 0.00 O ATOM 394 CB ASP A 62 3.579 1.691 -14.573 1.00 0.00 C ATOM 395 CG ASP A 62 5.069 1.794 -14.827 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.501 1.488 -15.959 1.00 0.00 O ATOM 397 OD2 ASP A 62 5.805 2.181 -13.896 1.00 0.00 O ATOM 0 H ASP A 62 3.309 4.057 -13.942 1.00 0.00 H new ATOM 0 HA ASP A 62 3.225 2.744 -16.412 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.379 1.879 -13.518 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.247 0.675 -14.784 1.00 0.00 H new ATOM 402 N SER A 63 0.841 2.199 -16.813 1.00 0.00 N ATOM 403 CA SER A 63 -0.517 1.752 -17.097 1.00 0.00 C ATOM 404 C SER A 63 -0.614 0.230 -17.029 1.00 0.00 C ATOM 405 O SER A 63 -1.547 -0.318 -16.446 1.00 0.00 O ATOM 406 CB SER A 63 -0.959 2.241 -18.478 1.00 0.00 C ATOM 407 OG SER A 63 -2.364 2.423 -18.529 1.00 0.00 O ATOM 0 H SER A 63 1.357 2.526 -17.630 1.00 0.00 H new ATOM 0 HA SER A 63 -1.178 2.175 -16.340 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.459 3.181 -18.712 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.655 1.520 -19.237 1.00 0.00 H new ATOM 0 HG SER A 63 -2.621 2.737 -19.421 1.00 0.00 H new ATOM 413 N GLY A 64 0.360 -0.446 -17.631 1.00 0.00 N ATOM 414 CA GLY A 64 0.368 -1.897 -17.628 1.00 0.00 C ATOM 415 C GLY A 64 0.034 -2.475 -16.268 1.00 0.00 C ATOM 416 O GLY A 64 -0.679 -3.474 -16.169 1.00 0.00 O ATOM 0 H GLY A 64 1.144 -0.014 -18.121 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.351 -2.263 -18.361 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.350 -2.253 -17.939 1.00 0.00 H new ATOM 420 N GLN A 65 0.552 -1.848 -15.216 1.00 0.00 N ATOM 421 CA GLN A 65 0.306 -2.310 -13.855 1.00 0.00 C ATOM 422 C GLN A 65 -0.974 -1.697 -13.296 1.00 0.00 C ATOM 423 O GLN A 65 -1.186 -0.488 -13.388 1.00 0.00 O ATOM 424 CB GLN A 65 1.491 -1.958 -12.953 1.00 0.00 C ATOM 425 CG GLN A 65 2.808 -2.556 -13.419 1.00 0.00 C ATOM 426 CD GLN A 65 3.943 -2.295 -12.448 1.00 0.00 C ATOM 427 OE1 GLN A 65 4.562 -3.227 -11.934 1.00 0.00 O ATOM 428 NE2 GLN A 65 4.222 -1.023 -12.190 1.00 0.00 N ATOM 0 H GLN A 65 1.144 -1.020 -15.280 1.00 0.00 H new ATOM 0 HA GLN A 65 0.187 -3.393 -13.881 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.591 -0.874 -12.905 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.282 -2.304 -11.941 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.688 -3.631 -13.551 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.066 -2.142 -14.394 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.684 -0.282 -12.638 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.975 -0.787 -11.544 1.00 0.00 H new ATOM 437 N ILE A 66 -1.822 -2.540 -12.717 1.00 0.00 N ATOM 438 CA ILE A 66 -3.081 -2.081 -12.142 1.00 0.00 C ATOM 439 C ILE A 66 -3.070 -2.209 -10.623 1.00 0.00 C ATOM 440 O ILE A 66 -3.791 -1.496 -9.923 1.00 0.00 O ATOM 441 CB ILE A 66 -4.278 -2.870 -12.704 1.00 0.00 C ATOM 442 CG1 ILE A 66 -4.194 -4.338 -12.280 1.00 0.00 C ATOM 443 CG2 ILE A 66 -4.324 -2.753 -14.221 1.00 0.00 C ATOM 444 CD1 ILE A 66 -5.543 -5.013 -12.168 1.00 0.00 C ATOM 0 H ILE A 66 -1.661 -3.544 -12.633 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.188 -1.031 -12.415 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.196 -2.446 -12.298 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.584 -4.882 -13.001 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.684 -4.401 -11.319 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.175 -3.316 -14.604 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.426 -1.705 -14.502 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.404 -3.154 -14.645 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.406 -6.051 -11.864 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.149 -4.494 -11.426 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.047 -4.982 -13.134 1.00 0.00 H new ATOM 456 N LYS A 67 -2.247 -3.121 -10.117 1.00 0.00 N ATOM 457 CA LYS A 67 -2.139 -3.342 -8.680 1.00 0.00 C ATOM 458 C LYS A 67 -0.701 -3.664 -8.286 1.00 0.00 C ATOM 459 O LYS A 67 0.085 -4.145 -9.102 1.00 0.00 O ATOM 460 CB LYS A 67 -3.065 -4.481 -8.247 1.00 0.00 C ATOM 461 CG LYS A 67 -2.721 -5.818 -8.879 1.00 0.00 C ATOM 462 CD LYS A 67 -3.898 -6.777 -8.831 1.00 0.00 C ATOM 463 CE LYS A 67 -3.440 -8.226 -8.893 1.00 0.00 C ATOM 464 NZ LYS A 67 -4.521 -9.167 -8.488 1.00 0.00 N ATOM 0 H LYS A 67 -1.644 -3.720 -10.682 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.440 -2.425 -8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.023 -4.580 -7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.092 -4.221 -8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.418 -5.665 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.870 -6.259 -8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.465 -6.613 -7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.571 -6.571 -9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.115 -8.461 -9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.577 -8.362 -8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.169 -10.144 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.814 -8.960 -7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.335 -9.055 -9.125 1.00 0.00 H new ATOM 478 N LYS A 68 -0.363 -3.397 -7.029 1.00 0.00 N ATOM 479 CA LYS A 68 0.980 -3.660 -6.524 1.00 0.00 C ATOM 480 C LYS A 68 0.940 -4.057 -5.052 1.00 0.00 C ATOM 481 O LYS A 68 0.237 -3.440 -4.251 1.00 0.00 O ATOM 482 CB LYS A 68 1.867 -2.427 -6.708 1.00 0.00 C ATOM 483 CG LYS A 68 3.277 -2.607 -6.173 1.00 0.00 C ATOM 484 CD LYS A 68 4.012 -1.281 -6.080 1.00 0.00 C ATOM 485 CE LYS A 68 4.674 -0.916 -7.400 1.00 0.00 C ATOM 486 NZ LYS A 68 5.836 -1.798 -7.699 1.00 0.00 N ATOM 0 H LYS A 68 -1.001 -2.998 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 68 1.399 -4.489 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.918 -2.182 -7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.403 -1.578 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.237 -3.071 -5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.830 -3.286 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.313 -0.496 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.767 -1.337 -5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.944 -0.991 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.005 0.122 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.436 -1.349 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.390 -1.948 -6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.494 -2.714 -8.054 1.00 0.00 H new ATOM 500 N LYS A 69 1.699 -5.089 -4.701 1.00 0.00 N ATOM 501 CA LYS A 69 1.753 -5.566 -3.324 1.00 0.00 C ATOM 502 C LYS A 69 3.078 -5.188 -2.669 1.00 0.00 C ATOM 503 O LYS A 69 4.148 -5.409 -3.236 1.00 0.00 O ATOM 504 CB LYS A 69 1.566 -7.084 -3.281 1.00 0.00 C ATOM 505 CG LYS A 69 0.986 -7.589 -1.972 1.00 0.00 C ATOM 506 CD LYS A 69 0.559 -9.044 -2.074 1.00 0.00 C ATOM 507 CE LYS A 69 1.680 -9.984 -1.658 1.00 0.00 C ATOM 508 NZ LYS A 69 1.614 -11.282 -2.385 1.00 0.00 N ATOM 0 H LYS A 69 2.286 -5.612 -5.351 1.00 0.00 H new ATOM 0 HA LYS A 69 0.944 -5.090 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.911 -7.384 -4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.529 -7.565 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.727 -7.481 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.129 -6.976 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.313 -9.214 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.258 -9.265 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.642 -9.509 -1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.622 -10.166 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.395 -11.894 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.706 -11.748 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.695 -11.112 -3.408 1.00 0.00 H new ATOM 522 N PHE A 70 2.999 -4.618 -1.471 1.00 0.00 N ATOM 523 CA PHE A 70 4.192 -4.210 -0.738 1.00 0.00 C ATOM 524 C PHE A 70 4.504 -5.195 0.385 1.00 0.00 C ATOM 525 O PHE A 70 3.687 -6.054 0.715 1.00 0.00 O ATOM 526 CB PHE A 70 4.007 -2.804 -0.163 1.00 0.00 C ATOM 527 CG PHE A 70 4.149 -1.715 -1.187 1.00 0.00 C ATOM 528 CD1 PHE A 70 5.393 -1.179 -1.481 1.00 0.00 C ATOM 529 CD2 PHE A 70 3.038 -1.225 -1.856 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.527 -0.177 -2.423 1.00 0.00 C ATOM 531 CE2 PHE A 70 3.166 -0.223 -2.799 1.00 0.00 C ATOM 532 CZ PHE A 70 4.412 0.303 -3.082 1.00 0.00 C ATOM 0 H PHE A 70 2.121 -4.428 -0.987 1.00 0.00 H new ATOM 0 HA PHE A 70 5.031 -4.203 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.021 -2.734 0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.739 -2.645 0.629 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.268 -1.549 -0.968 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.061 -1.631 -1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.503 0.230 -2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.293 0.149 -3.314 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.514 1.088 -3.817 1.00 0.00 H new ATOM 542 N GLN A 71 5.691 -5.062 0.968 1.00 0.00 N ATOM 543 CA GLN A 71 6.111 -5.940 2.053 1.00 0.00 C ATOM 544 C GLN A 71 6.149 -5.187 3.379 1.00 0.00 C ATOM 545 O GLN A 71 6.595 -4.043 3.458 1.00 0.00 O ATOM 546 CB GLN A 71 7.487 -6.536 1.752 1.00 0.00 C ATOM 547 CG GLN A 71 8.551 -5.491 1.455 1.00 0.00 C ATOM 548 CD GLN A 71 8.628 -5.139 -0.018 1.00 0.00 C ATOM 549 OE1 GLN A 71 7.951 -5.744 -0.849 1.00 0.00 O ATOM 550 NE2 GLN A 71 9.457 -4.156 -0.349 1.00 0.00 N ATOM 0 H GLN A 71 6.378 -4.355 0.707 1.00 0.00 H new ATOM 0 HA GLN A 71 5.383 -6.747 2.135 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.807 -7.137 2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.403 -7.210 0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.340 -4.589 2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.521 -5.861 1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.999 -3.681 0.373 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.551 -3.875 -1.325 1.00 0.00 H new ATOM 559 N PRO A 72 5.670 -5.843 4.446 1.00 0.00 N ATOM 560 CA PRO A 72 5.638 -5.255 5.789 1.00 0.00 C ATOM 561 C PRO A 72 7.032 -5.100 6.387 1.00 0.00 C ATOM 562 O PRO A 72 7.608 -6.060 6.899 1.00 0.00 O ATOM 563 CB PRO A 72 4.818 -6.262 6.598 1.00 0.00 C ATOM 564 CG PRO A 72 4.994 -7.556 5.883 1.00 0.00 C ATOM 565 CD PRO A 72 5.122 -7.210 4.425 1.00 0.00 C ATOM 0 HA PRO A 72 5.218 -4.249 5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.173 -6.327 7.626 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.768 -5.973 6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.881 -8.081 6.239 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.143 -8.215 6.054 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.785 -7.901 3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.159 -7.249 3.917 1.00 0.00 H new ATOM 573 N MET A 73 7.569 -3.887 6.318 1.00 0.00 N ATOM 574 CA MET A 73 8.896 -3.607 6.855 1.00 0.00 C ATOM 575 C MET A 73 8.803 -3.046 8.271 1.00 0.00 C ATOM 576 O MET A 73 9.571 -3.428 9.152 1.00 0.00 O ATOM 577 CB MET A 73 9.638 -2.621 5.951 1.00 0.00 C ATOM 578 CG MET A 73 10.173 -3.251 4.675 1.00 0.00 C ATOM 579 SD MET A 73 10.271 -2.078 3.310 1.00 0.00 S ATOM 580 CE MET A 73 8.534 -1.755 3.015 1.00 0.00 C ATOM 0 H MET A 73 7.106 -3.082 5.896 1.00 0.00 H new ATOM 0 HA MET A 73 9.451 -4.544 6.891 1.00 0.00 H new ATOM 0 HB2 MET A 73 8.966 -1.804 5.689 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.468 -2.185 6.507 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.164 -3.664 4.866 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.530 -4.083 4.388 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.392 -0.695 2.804 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.194 -2.343 2.163 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.958 -2.030 3.898 1.00 0.00 H new ATOM 590 N ASN A 74 7.857 -2.136 8.480 1.00 0.00 N ATOM 591 CA ASN A 74 7.664 -1.522 9.789 1.00 0.00 C ATOM 592 C ASN A 74 6.206 -1.621 10.228 1.00 0.00 C ATOM 593 O ASN A 74 5.357 -2.121 9.489 1.00 0.00 O ATOM 594 CB ASN A 74 8.099 -0.055 9.756 1.00 0.00 C ATOM 595 CG ASN A 74 9.569 0.120 10.084 1.00 0.00 C ATOM 596 OD1 ASN A 74 10.360 -0.816 9.958 1.00 0.00 O ATOM 597 ND2 ASN A 74 9.942 1.322 10.508 1.00 0.00 N ATOM 0 H ASN A 74 7.213 -1.808 7.761 1.00 0.00 H new ATOM 0 HA ASN A 74 8.279 -2.061 10.509 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.898 0.358 8.768 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.501 0.515 10.467 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.918 1.499 10.744 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.252 2.068 10.597 1.00 0.00 H new ATOM 604 N LYS A 75 5.923 -1.142 11.434 1.00 0.00 N ATOM 605 CA LYS A 75 4.568 -1.175 11.972 1.00 0.00 C ATOM 606 C LYS A 75 3.807 0.095 11.606 1.00 0.00 C ATOM 607 O LYS A 75 2.597 0.061 11.379 1.00 0.00 O ATOM 608 CB LYS A 75 4.605 -1.339 13.493 1.00 0.00 C ATOM 609 CG LYS A 75 5.211 -2.655 13.948 1.00 0.00 C ATOM 610 CD LYS A 75 4.157 -3.742 14.070 1.00 0.00 C ATOM 611 CE LYS A 75 4.788 -5.122 14.176 1.00 0.00 C ATOM 612 NZ LYS A 75 5.400 -5.350 15.514 1.00 0.00 N ATOM 0 H LYS A 75 6.614 -0.726 12.058 1.00 0.00 H new ATOM 0 HA LYS A 75 4.050 -2.028 11.533 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.176 -0.517 13.925 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.590 -1.262 13.883 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.977 -2.968 13.239 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.705 -2.516 14.910 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.540 -3.555 14.949 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.496 -3.709 13.204 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.031 -5.883 13.989 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.550 -5.233 13.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.819 -6.301 15.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.140 -4.639 15.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.668 -5.269 16.249 1.00 0.00 H new ATOM 626 N ILE A 76 4.522 1.213 11.549 1.00 0.00 N ATOM 627 CA ILE A 76 3.914 2.493 11.207 1.00 0.00 C ATOM 628 C ILE A 76 3.961 2.740 9.703 1.00 0.00 C ATOM 629 O ILE A 76 3.044 3.331 9.133 1.00 0.00 O ATOM 630 CB ILE A 76 4.612 3.659 11.930 1.00 0.00 C ATOM 631 CG1 ILE A 76 4.554 3.457 13.446 1.00 0.00 C ATOM 632 CG2 ILE A 76 3.971 4.983 11.542 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.154 3.531 14.012 1.00 0.00 C ATOM 0 H ILE A 76 5.524 1.259 11.735 1.00 0.00 H new ATOM 0 HA ILE A 76 2.875 2.445 11.532 1.00 0.00 H new ATOM 0 HB ILE A 76 5.658 3.681 11.625 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.986 2.487 13.692 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.173 4.213 13.929 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.476 5.798 12.061 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.060 5.129 10.465 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.917 4.973 11.821 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.189 3.379 15.091 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.726 4.510 13.797 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.536 2.757 13.557 1.00 0.00 H new ATOM 645 N GLU A 77 5.035 2.282 9.067 1.00 0.00 N ATOM 646 CA GLU A 77 5.200 2.453 7.628 1.00 0.00 C ATOM 647 C GLU A 77 3.876 2.243 6.900 1.00 0.00 C ATOM 648 O GLU A 77 3.621 2.858 5.864 1.00 0.00 O ATOM 649 CB GLU A 77 6.250 1.477 7.094 1.00 0.00 C ATOM 650 CG GLU A 77 7.662 2.039 7.098 1.00 0.00 C ATOM 651 CD GLU A 77 8.685 1.050 6.574 1.00 0.00 C ATOM 652 OE1 GLU A 77 8.354 0.296 5.635 1.00 0.00 O ATOM 653 OE2 GLU A 77 9.815 1.029 7.104 1.00 0.00 O ATOM 0 H GLU A 77 5.803 1.790 9.525 1.00 0.00 H new ATOM 0 HA GLU A 77 5.537 3.473 7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.228 0.568 7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.984 1.192 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.691 2.943 6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.930 2.330 8.114 1.00 0.00 H new ATOM 660 N ARG A 78 3.038 1.369 7.447 1.00 0.00 N ATOM 661 CA ARG A 78 1.742 1.075 6.849 1.00 0.00 C ATOM 662 C ARG A 78 0.894 2.339 6.741 1.00 0.00 C ATOM 663 O ARG A 78 0.406 2.682 5.664 1.00 0.00 O ATOM 664 CB ARG A 78 1.002 0.021 7.675 1.00 0.00 C ATOM 665 CG ARG A 78 0.063 -0.847 6.854 1.00 0.00 C ATOM 666 CD ARG A 78 0.773 -2.078 6.312 1.00 0.00 C ATOM 667 NE ARG A 78 1.466 -2.817 7.364 1.00 0.00 N ATOM 668 CZ ARG A 78 0.841 -3.506 8.312 1.00 0.00 C ATOM 669 NH1 ARG A 78 -0.484 -3.551 8.340 1.00 0.00 N ATOM 670 NH2 ARG A 78 1.542 -4.153 9.234 1.00 0.00 N ATOM 0 H ARG A 78 3.234 0.852 8.304 1.00 0.00 H new ATOM 0 HA ARG A 78 1.913 0.686 5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.732 -0.618 8.172 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.431 0.520 8.458 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.782 -1.155 7.470 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.342 -0.265 6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.047 -2.731 5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.490 -1.776 5.548 1.00 0.00 H new ATOM 0 HE ARG A 78 2.486 -2.803 7.371 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.026 -3.056 7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.961 -4.081 9.069 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.561 -4.121 9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.062 -4.682 9.962 1.00 0.00 H new ATOM 684 N SER A 79 0.722 3.028 7.865 1.00 0.00 N ATOM 685 CA SER A 79 -0.070 4.252 7.898 1.00 0.00 C ATOM 686 C SER A 79 0.553 5.327 7.013 1.00 0.00 C ATOM 687 O SER A 79 -0.138 5.978 6.230 1.00 0.00 O ATOM 688 CB SER A 79 -0.193 4.766 9.334 1.00 0.00 C ATOM 689 OG SER A 79 -1.165 5.793 9.426 1.00 0.00 O ATOM 0 H SER A 79 1.121 2.759 8.765 1.00 0.00 H new ATOM 0 HA SER A 79 -1.064 4.022 7.515 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.464 3.944 9.996 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.772 5.143 9.673 1.00 0.00 H new ATOM 0 HG SER A 79 -1.226 6.104 10.353 1.00 0.00 H new ATOM 695 N ILE A 80 1.863 5.506 7.144 1.00 0.00 N ATOM 696 CA ILE A 80 2.580 6.500 6.356 1.00 0.00 C ATOM 697 C ILE A 80 2.329 6.304 4.864 1.00 0.00 C ATOM 698 O ILE A 80 1.851 7.210 4.180 1.00 0.00 O ATOM 699 CB ILE A 80 4.096 6.443 6.622 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.383 6.648 8.110 1.00 0.00 C ATOM 701 CG2 ILE A 80 4.820 7.490 5.788 1.00 0.00 C ATOM 702 CD1 ILE A 80 5.723 6.101 8.549 1.00 0.00 C ATOM 0 H ILE A 80 2.449 4.976 7.788 1.00 0.00 H new ATOM 0 HA ILE A 80 2.203 7.476 6.661 1.00 0.00 H new ATOM 0 HB ILE A 80 4.464 5.458 6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.343 7.714 8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.596 6.169 8.693 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.890 7.437 5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.638 7.302 4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.451 8.482 6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.858 6.282 9.615 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.759 5.029 8.355 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.518 6.597 7.993 1.00 0.00 H new ATOM 714 N LEU A 81 2.653 5.116 4.366 1.00 0.00 N ATOM 715 CA LEU A 81 2.462 4.800 2.955 1.00 0.00 C ATOM 716 C LEU A 81 1.036 5.115 2.515 1.00 0.00 C ATOM 717 O LEU A 81 0.821 5.797 1.513 1.00 0.00 O ATOM 718 CB LEU A 81 2.773 3.325 2.696 1.00 0.00 C ATOM 719 CG LEU A 81 2.295 2.763 1.357 1.00 0.00 C ATOM 720 CD1 LEU A 81 2.922 3.530 0.202 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.621 1.280 1.253 1.00 0.00 C ATOM 0 H LEU A 81 3.049 4.356 4.918 1.00 0.00 H new ATOM 0 HA LEU A 81 3.147 5.417 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.852 3.185 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.326 2.734 3.496 1.00 0.00 H new ATOM 0 HG LEU A 81 1.213 2.881 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.570 3.116 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.638 4.580 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.007 3.444 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.273 0.897 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.699 1.138 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.125 0.741 2.060 1.00 0.00 H new ATOM 733 N HIS A 82 0.064 4.617 3.273 1.00 0.00 N ATOM 734 CA HIS A 82 -1.342 4.848 2.963 1.00 0.00 C ATOM 735 C HIS A 82 -1.585 6.309 2.598 1.00 0.00 C ATOM 736 O HIS A 82 -2.108 6.612 1.525 1.00 0.00 O ATOM 737 CB HIS A 82 -2.220 4.455 4.152 1.00 0.00 C ATOM 738 CG HIS A 82 -2.659 3.023 4.125 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.984 2.642 4.147 1.00 0.00 N ATOM 740 CD2 HIS A 82 -1.940 1.878 4.075 1.00 0.00 C ATOM 741 CE1 HIS A 82 -4.061 1.324 4.114 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.834 0.836 4.070 1.00 0.00 N ATOM 0 H HIS A 82 0.225 4.051 4.106 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.606 4.229 2.106 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.671 4.641 5.075 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.101 5.096 4.170 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.863 1.798 4.045 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.972 0.744 4.122 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.590 -0.154 4.038 1.00 0.00 H new ATOM 750 N ASP A 83 -1.203 7.210 3.496 1.00 0.00 N ATOM 751 CA ASP A 83 -1.378 8.640 3.268 1.00 0.00 C ATOM 752 C ASP A 83 -0.792 9.051 1.921 1.00 0.00 C ATOM 753 O ASP A 83 -1.464 9.685 1.107 1.00 0.00 O ATOM 754 CB ASP A 83 -0.719 9.442 4.391 1.00 0.00 C ATOM 755 CG ASP A 83 -1.162 10.892 4.404 1.00 0.00 C ATOM 756 OD1 ASP A 83 -1.447 11.434 3.316 1.00 0.00 O ATOM 757 OD2 ASP A 83 -1.221 11.485 5.502 1.00 0.00 O ATOM 0 H ASP A 83 -0.770 6.976 4.389 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.447 8.853 3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.959 8.983 5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.364 9.397 4.278 1.00 0.00 H new ATOM 762 N VAL A 84 0.466 8.687 1.692 1.00 0.00 N ATOM 763 CA VAL A 84 1.143 9.018 0.444 1.00 0.00 C ATOM 764 C VAL A 84 0.302 8.613 -0.761 1.00 0.00 C ATOM 765 O VAL A 84 0.215 9.346 -1.746 1.00 0.00 O ATOM 766 CB VAL A 84 2.518 8.331 0.352 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.158 8.596 -1.002 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.424 8.800 1.480 1.00 0.00 C ATOM 0 H VAL A 84 1.037 8.163 2.355 1.00 0.00 H new ATOM 0 HA VAL A 84 1.285 10.099 0.437 1.00 0.00 H new ATOM 0 HB VAL A 84 2.375 7.255 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.129 8.103 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.515 8.206 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.290 9.669 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.391 8.304 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.562 9.879 1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.969 8.553 2.439 1.00 0.00 H new ATOM 778 N VAL A 85 -0.317 7.440 -0.676 1.00 0.00 N ATOM 779 CA VAL A 85 -1.153 6.936 -1.759 1.00 0.00 C ATOM 780 C VAL A 85 -2.321 7.877 -2.035 1.00 0.00 C ATOM 781 O VAL A 85 -2.449 8.416 -3.134 1.00 0.00 O ATOM 782 CB VAL A 85 -1.703 5.533 -1.439 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.580 5.031 -2.575 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.563 4.564 -1.165 1.00 0.00 C ATOM 0 H VAL A 85 -0.255 6.821 0.132 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.521 6.876 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.317 5.599 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.959 4.039 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.417 5.714 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.993 4.980 -3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.970 3.578 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.080 4.500 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.019 4.918 -0.314 1.00 0.00 H new ATOM 794 N GLU A 86 -3.169 8.069 -1.030 1.00 0.00 N ATOM 795 CA GLU A 86 -4.327 8.945 -1.165 1.00 0.00 C ATOM 796 C GLU A 86 -3.961 10.218 -1.922 1.00 0.00 C ATOM 797 O GLU A 86 -4.586 10.558 -2.927 1.00 0.00 O ATOM 798 CB GLU A 86 -4.888 9.302 0.213 1.00 0.00 C ATOM 799 CG GLU A 86 -4.879 8.141 1.193 1.00 0.00 C ATOM 800 CD GLU A 86 -5.476 6.876 0.606 1.00 0.00 C ATOM 801 OE1 GLU A 86 -4.806 6.237 -0.231 1.00 0.00 O ATOM 802 OE2 GLU A 86 -6.613 6.527 0.985 1.00 0.00 O ATOM 0 H GLU A 86 -3.076 7.630 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.089 8.411 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.307 10.124 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.911 9.661 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.854 7.943 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.437 8.421 2.087 1.00 0.00 H new ATOM 809 N VAL A 87 -2.943 10.919 -1.432 1.00 0.00 N ATOM 810 CA VAL A 87 -2.492 12.154 -2.061 1.00 0.00 C ATOM 811 C VAL A 87 -2.121 11.923 -3.522 1.00 0.00 C ATOM 812 O VAL A 87 -2.423 12.745 -4.387 1.00 0.00 O ATOM 813 CB VAL A 87 -1.278 12.749 -1.323 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.886 14.087 -1.932 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.577 12.897 0.161 1.00 0.00 C ATOM 0 H VAL A 87 -2.415 10.652 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.322 12.858 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.436 12.065 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.027 14.492 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.628 13.947 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.722 14.782 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.708 13.319 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.432 13.559 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.805 11.919 0.586 1.00 0.00 H new ATOM 825 N ALA A 88 -1.466 10.799 -3.790 1.00 0.00 N ATOM 826 CA ALA A 88 -1.056 10.458 -5.147 1.00 0.00 C ATOM 827 C ALA A 88 -2.266 10.289 -6.059 1.00 0.00 C ATOM 828 O ALA A 88 -2.192 10.551 -7.259 1.00 0.00 O ATOM 829 CB ALA A 88 -0.216 9.189 -5.141 1.00 0.00 C ATOM 0 H ALA A 88 -1.208 10.108 -3.085 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.452 11.278 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.083 8.946 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.673 9.344 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.801 8.367 -4.729 1.00 0.00 H new ATOM 835 N GLY A 89 -3.380 9.849 -5.483 1.00 0.00 N ATOM 836 CA GLY A 89 -4.590 9.652 -6.260 1.00 0.00 C ATOM 837 C GLY A 89 -4.849 8.191 -6.569 1.00 0.00 C ATOM 838 O GLY A 89 -5.427 7.862 -7.606 1.00 0.00 O ATOM 0 H GLY A 89 -3.466 9.625 -4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.440 10.061 -5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.514 10.210 -7.193 1.00 0.00 H new ATOM 842 N LEU A 90 -4.420 7.313 -5.670 1.00 0.00 N ATOM 843 CA LEU A 90 -4.607 5.878 -5.853 1.00 0.00 C ATOM 844 C LEU A 90 -5.283 5.257 -4.635 1.00 0.00 C ATOM 845 O LEU A 90 -5.394 5.888 -3.583 1.00 0.00 O ATOM 846 CB LEU A 90 -3.261 5.196 -6.106 1.00 0.00 C ATOM 847 CG LEU A 90 -2.524 5.617 -7.377 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.106 5.066 -7.379 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.281 5.150 -8.612 1.00 0.00 C ATOM 0 H LEU A 90 -3.940 7.569 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.252 5.729 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.612 5.390 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.424 4.119 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.469 6.705 -7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.597 5.376 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.565 5.449 -6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.139 3.977 -7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.742 5.459 -9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.367 4.064 -8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.277 5.593 -8.617 1.00 0.00 H new ATOM 861 N THR A 91 -5.734 4.015 -4.783 1.00 0.00 N ATOM 862 CA THR A 91 -6.399 3.308 -3.696 1.00 0.00 C ATOM 863 C THR A 91 -5.393 2.552 -2.836 1.00 0.00 C ATOM 864 O THR A 91 -4.399 2.030 -3.341 1.00 0.00 O ATOM 865 CB THR A 91 -7.450 2.316 -4.230 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.448 3.017 -4.980 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.107 1.557 -3.087 1.00 0.00 C ATOM 0 H THR A 91 -5.650 3.478 -5.646 1.00 0.00 H new ATOM 0 HA THR A 91 -6.899 4.062 -3.088 1.00 0.00 H new ATOM 0 HB THR A 91 -6.946 1.600 -4.878 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.303 2.543 -4.911 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.845 0.863 -3.488 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.348 1.001 -2.536 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.599 2.262 -2.417 1.00 0.00 H new ATOM 875 N SER A 92 -5.658 2.496 -1.535 1.00 0.00 N ATOM 876 CA SER A 92 -4.774 1.805 -0.604 1.00 0.00 C ATOM 877 C SER A 92 -5.568 0.891 0.324 1.00 0.00 C ATOM 878 O SER A 92 -6.591 1.291 0.882 1.00 0.00 O ATOM 879 CB SER A 92 -3.974 2.816 0.220 1.00 0.00 C ATOM 880 OG SER A 92 -4.832 3.751 0.852 1.00 0.00 O ATOM 0 H SER A 92 -6.478 2.921 -1.102 1.00 0.00 H new ATOM 0 HA SER A 92 -4.084 1.193 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.385 2.292 0.972 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.271 3.342 -0.426 1.00 0.00 H new ATOM 0 HG SER A 92 -4.968 4.521 0.262 1.00 0.00 H new ATOM 886 N PHE A 93 -5.091 -0.339 0.485 1.00 0.00 N ATOM 887 CA PHE A 93 -5.757 -1.311 1.344 1.00 0.00 C ATOM 888 C PHE A 93 -4.751 -2.298 1.929 1.00 0.00 C ATOM 889 O PHE A 93 -3.926 -2.861 1.209 1.00 0.00 O ATOM 890 CB PHE A 93 -6.831 -2.066 0.559 1.00 0.00 C ATOM 891 CG PHE A 93 -8.126 -1.313 0.439 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.949 -1.145 1.540 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.518 -0.773 -0.776 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.141 -0.453 1.432 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.708 -0.080 -0.890 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.520 0.081 0.215 1.00 0.00 C ATOM 0 H PHE A 93 -4.246 -0.686 0.032 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.229 -0.770 2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.453 -2.285 -0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -7.020 -3.023 1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.656 -1.559 2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.886 -0.895 -1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.775 -0.330 2.298 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -10.003 0.335 -1.842 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.450 0.623 0.128 1.00 0.00 H new ATOM 906 N SER A 94 -4.825 -2.502 3.241 1.00 0.00 N ATOM 907 CA SER A 94 -3.919 -3.417 3.925 1.00 0.00 C ATOM 908 C SER A 94 -4.567 -4.785 4.111 1.00 0.00 C ATOM 909 O SER A 94 -5.599 -4.911 4.770 1.00 0.00 O ATOM 910 CB SER A 94 -3.511 -2.844 5.283 1.00 0.00 C ATOM 911 OG SER A 94 -2.946 -1.552 5.143 1.00 0.00 O ATOM 0 H SER A 94 -5.503 -2.046 3.851 1.00 0.00 H new ATOM 0 HA SER A 94 -3.029 -3.537 3.307 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.382 -2.795 5.937 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.791 -3.509 5.760 1.00 0.00 H new ATOM 0 HG SER A 94 -1.984 -1.632 4.972 1.00 0.00 H new ATOM 917 N PHE A 95 -3.954 -5.808 3.525 1.00 0.00 N ATOM 918 CA PHE A 95 -4.471 -7.168 3.625 1.00 0.00 C ATOM 919 C PHE A 95 -3.386 -8.129 4.102 1.00 0.00 C ATOM 920 O PHE A 95 -2.311 -8.213 3.510 1.00 0.00 O ATOM 921 CB PHE A 95 -5.017 -7.629 2.272 1.00 0.00 C ATOM 922 CG PHE A 95 -6.091 -6.735 1.722 1.00 0.00 C ATOM 923 CD1 PHE A 95 -7.275 -6.545 2.416 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.917 -6.084 0.512 1.00 0.00 C ATOM 925 CE1 PHE A 95 -8.265 -5.724 1.912 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.903 -5.260 0.003 1.00 0.00 C ATOM 927 CZ PHE A 95 -8.079 -5.079 0.705 1.00 0.00 C ATOM 0 H PHE A 95 -3.099 -5.721 2.976 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.280 -7.170 4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.196 -7.680 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.414 -8.639 2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.426 -7.044 3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.999 -6.222 -0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.184 -5.586 2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.754 -4.758 -0.942 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.851 -4.435 0.311 1.00 0.00 H new ATOM 937 N GLY A 96 -3.676 -8.852 5.180 1.00 0.00 N ATOM 938 CA GLY A 96 -2.716 -9.797 5.720 1.00 0.00 C ATOM 939 C GLY A 96 -3.359 -11.107 6.128 1.00 0.00 C ATOM 940 O GLY A 96 -4.445 -11.119 6.707 1.00 0.00 O ATOM 0 H GLY A 96 -4.559 -8.800 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.944 -9.991 4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.221 -9.354 6.584 1.00 0.00 H new ATOM 944 N GLU A 97 -2.688 -12.214 5.824 1.00 0.00 N ATOM 945 CA GLU A 97 -3.203 -13.536 6.162 1.00 0.00 C ATOM 946 C GLU A 97 -3.112 -13.788 7.664 1.00 0.00 C ATOM 947 O GLU A 97 -4.055 -14.287 8.279 1.00 0.00 O ATOM 948 CB GLU A 97 -2.430 -14.617 5.404 1.00 0.00 C ATOM 949 CG GLU A 97 -2.794 -16.032 5.823 1.00 0.00 C ATOM 950 CD GLU A 97 -2.233 -17.081 4.883 1.00 0.00 C ATOM 951 OE1 GLU A 97 -1.012 -17.053 4.622 1.00 0.00 O ATOM 952 OE2 GLU A 97 -3.015 -17.931 4.409 1.00 0.00 O ATOM 0 H GLU A 97 -1.788 -12.222 5.345 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.252 -13.576 5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.616 -14.504 4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.362 -14.464 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.421 -16.216 6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.879 -16.128 5.862 1.00 0.00 H new ATOM 959 N ASP A 98 -1.971 -13.440 8.248 1.00 0.00 N ATOM 960 CA ASP A 98 -1.756 -13.627 9.678 1.00 0.00 C ATOM 961 C ASP A 98 -1.593 -12.285 10.384 1.00 0.00 C ATOM 962 O ASP A 98 -0.959 -11.369 9.859 1.00 0.00 O ATOM 963 CB ASP A 98 -0.521 -14.498 9.920 1.00 0.00 C ATOM 964 CG ASP A 98 -0.547 -15.176 11.276 1.00 0.00 C ATOM 965 OD1 ASP A 98 -1.104 -16.290 11.371 1.00 0.00 O ATOM 966 OD2 ASP A 98 -0.013 -14.592 12.242 1.00 0.00 O ATOM 0 H ASP A 98 -1.181 -13.027 7.753 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.632 -14.129 10.089 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.456 -15.256 9.139 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.375 -13.882 9.842 1.00 0.00 H new ATOM 971 N ASP A 99 -2.171 -12.175 11.575 1.00 0.00 N ATOM 972 CA ASP A 99 -2.090 -10.944 12.353 1.00 0.00 C ATOM 973 C ASP A 99 -0.659 -10.417 12.390 1.00 0.00 C ATOM 974 O ASP A 99 -0.419 -9.228 12.180 1.00 0.00 O ATOM 975 CB ASP A 99 -2.596 -11.181 13.777 1.00 0.00 C ATOM 976 CG ASP A 99 -4.055 -11.592 13.811 1.00 0.00 C ATOM 977 OD1 ASP A 99 -4.334 -12.802 13.683 1.00 0.00 O ATOM 978 OD2 ASP A 99 -4.919 -10.703 13.966 1.00 0.00 O ATOM 0 H ASP A 99 -2.701 -12.923 12.023 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.721 -10.197 11.871 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.992 -11.955 14.250 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.464 -10.271 14.363 1.00 0.00 H new ATOM 983 N ASP A 100 0.288 -11.310 12.659 1.00 0.00 N ATOM 984 CA ASP A 100 1.695 -10.935 12.724 1.00 0.00 C ATOM 985 C ASP A 100 2.179 -10.406 11.378 1.00 0.00 C ATOM 986 O ASP A 100 2.911 -9.417 11.315 1.00 0.00 O ATOM 987 CB ASP A 100 2.545 -12.133 13.150 1.00 0.00 C ATOM 988 CG ASP A 100 4.009 -11.776 13.313 1.00 0.00 C ATOM 989 OD1 ASP A 100 4.302 -10.763 13.983 1.00 0.00 O ATOM 990 OD2 ASP A 100 4.863 -12.509 12.771 1.00 0.00 O ATOM 0 H ASP A 100 0.106 -12.298 12.835 1.00 0.00 H new ATOM 0 HA ASP A 100 1.800 -10.143 13.465 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.164 -12.529 14.091 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.448 -12.926 12.408 1.00 0.00 H new ATOM 995 N CYS A 101 1.768 -11.071 10.304 1.00 0.00 N ATOM 996 CA CYS A 101 2.161 -10.669 8.958 1.00 0.00 C ATOM 997 C CYS A 101 1.051 -9.869 8.284 1.00 0.00 C ATOM 998 O CYS A 101 0.040 -10.428 7.859 1.00 0.00 O ATOM 999 CB CYS A 101 2.504 -11.898 8.116 1.00 0.00 C ATOM 1000 SG CYS A 101 3.660 -11.568 6.765 1.00 0.00 S ATOM 0 H CYS A 101 1.163 -11.891 10.339 1.00 0.00 H new ATOM 0 HA CYS A 101 3.044 -10.035 9.038 1.00 0.00 H new ATOM 0 HB2 CYS A 101 2.930 -12.663 8.766 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.584 -12.309 7.700 1.00 0.00 H new ATOM 0 HG CYS A 101 3.890 -12.668 6.112 1.00 0.00 H new ATOM 1006 N ARG A 102 1.247 -8.558 8.190 1.00 0.00 N ATOM 1007 CA ARG A 102 0.261 -7.680 7.570 1.00 0.00 C ATOM 1008 C ARG A 102 0.918 -6.768 6.538 1.00 0.00 C ATOM 1009 O ARG A 102 1.598 -5.804 6.890 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.444 -6.838 8.635 1.00 0.00 C ATOM 1011 CG ARG A 102 -1.858 -6.432 8.251 1.00 0.00 C ATOM 1012 CD ARG A 102 -2.860 -7.529 8.575 1.00 0.00 C ATOM 1013 NE ARG A 102 -3.395 -7.400 9.928 1.00 0.00 N ATOM 1014 CZ ARG A 102 -4.381 -6.572 10.252 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -4.938 -5.803 9.326 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -4.813 -6.511 11.506 1.00 0.00 N ATOM 0 H ARG A 102 2.079 -8.080 8.535 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.476 -8.303 7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.477 -7.401 9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.144 -5.940 8.825 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.132 -5.519 8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.896 -6.206 7.185 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.679 -7.495 7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.380 -8.502 8.466 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.989 -7.978 10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.609 -5.847 8.361 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.695 -5.168 9.578 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.387 -7.101 12.221 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.571 -5.875 11.754 1.00 0.00 H new ATOM 1030 N TYR A 103 0.711 -7.080 5.264 1.00 0.00 N ATOM 1031 CA TYR A 103 1.285 -6.291 4.180 1.00 0.00 C ATOM 1032 C TYR A 103 0.291 -5.247 3.681 1.00 0.00 C ATOM 1033 O TYR A 103 -0.900 -5.311 3.986 1.00 0.00 O ATOM 1034 CB TYR A 103 1.708 -7.202 3.027 1.00 0.00 C ATOM 1035 CG TYR A 103 0.552 -7.915 2.363 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.415 -7.208 1.659 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.427 -9.297 2.439 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.474 -7.856 1.052 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.627 -9.954 1.834 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.575 -9.229 1.142 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.627 -9.878 0.538 1.00 0.00 O ATOM 0 H TYR A 103 0.150 -7.874 4.956 1.00 0.00 H new ATOM 0 HA TYR A 103 2.163 -5.774 4.566 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.235 -6.608 2.280 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.414 -7.943 3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.338 -6.133 1.585 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.167 -9.868 2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.218 -7.291 0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.708 -11.029 1.902 1.00 0.00 H new ATOM 0 HH TYR A 103 -2.550 -10.842 0.695 1.00 0.00 H new ATOM 1051 N VAL A 104 0.789 -4.286 2.910 1.00 0.00 N ATOM 1052 CA VAL A 104 -0.053 -3.228 2.365 1.00 0.00 C ATOM 1053 C VAL A 104 -0.157 -3.334 0.848 1.00 0.00 C ATOM 1054 O VAL A 104 0.844 -3.535 0.160 1.00 0.00 O ATOM 1055 CB VAL A 104 0.486 -1.834 2.736 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.901 -1.651 2.210 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.435 -0.747 2.201 1.00 0.00 C ATOM 0 H VAL A 104 1.773 -4.218 2.648 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.043 -3.355 2.803 1.00 0.00 H new ATOM 0 HB VAL A 104 0.515 -1.752 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.265 -0.660 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.552 -2.409 2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.902 -1.753 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.039 0.232 2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.498 -0.825 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.429 -0.868 2.631 1.00 0.00 H new ATOM 1067 N MET A 105 -1.374 -3.197 0.332 1.00 0.00 N ATOM 1068 CA MET A 105 -1.608 -3.276 -1.105 1.00 0.00 C ATOM 1069 C MET A 105 -2.147 -1.954 -1.641 1.00 0.00 C ATOM 1070 O MET A 105 -2.687 -1.142 -0.889 1.00 0.00 O ATOM 1071 CB MET A 105 -2.588 -4.406 -1.423 1.00 0.00 C ATOM 1072 CG MET A 105 -1.912 -5.742 -1.686 1.00 0.00 C ATOM 1073 SD MET A 105 -3.085 -7.042 -2.116 1.00 0.00 S ATOM 1074 CE MET A 105 -3.154 -6.860 -3.897 1.00 0.00 C ATOM 0 H MET A 105 -2.213 -3.031 0.888 1.00 0.00 H new ATOM 0 HA MET A 105 -0.655 -3.484 -1.592 1.00 0.00 H new ATOM 0 HB2 MET A 105 -3.283 -4.518 -0.591 1.00 0.00 H new ATOM 0 HB3 MET A 105 -3.178 -4.129 -2.296 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.191 -5.627 -2.495 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.352 -6.042 -0.800 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.120 -7.210 -4.261 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.026 -5.810 -4.161 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.359 -7.449 -4.354 1.00 0.00 H new ATOM 1084 N ILE A 106 -1.996 -1.743 -2.944 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.469 -0.520 -3.580 1.00 0.00 C ATOM 1086 C ILE A 106 -3.086 -0.812 -4.944 1.00 0.00 C ATOM 1087 O ILE A 106 -2.657 -1.726 -5.648 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.329 0.501 -3.753 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.262 -0.048 -4.702 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -0.718 0.846 -2.403 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.495 1.029 -5.447 1.00 0.00 C ATOM 0 H ILE A 106 -1.550 -2.404 -3.580 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.229 -0.097 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.740 1.412 -4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.445 -0.650 -4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.736 -0.713 -5.424 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.086 1.569 -2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.483 1.275 -1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.318 -0.058 -1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.235 0.568 -6.101 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.202 1.616 -6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.998 1.680 -4.733 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.094 -0.028 -5.311 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.770 -0.201 -6.591 1.00 0.00 C ATOM 1105 C PHE A 107 -4.963 1.142 -7.291 1.00 0.00 C ATOM 1106 O PHE A 107 -4.769 2.200 -6.693 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.125 -0.882 -6.389 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.017 -2.337 -6.030 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.436 -2.728 -4.835 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.497 -3.313 -6.888 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.335 -4.066 -4.503 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.399 -4.652 -6.562 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.818 -5.029 -5.367 1.00 0.00 C ATOM 0 H PHE A 107 -4.461 0.733 -4.740 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.144 -0.833 -7.221 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.671 -0.361 -5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.712 -0.784 -7.302 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.058 -1.979 -4.155 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.953 -3.024 -7.823 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.879 -4.358 -3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.776 -5.403 -7.241 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.742 -6.075 -5.109 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.345 1.090 -8.562 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.565 2.300 -9.345 1.00 0.00 C ATOM 1125 C LYS A 108 -7.010 2.772 -9.223 1.00 0.00 C ATOM 1126 O LYS A 108 -7.847 2.096 -8.624 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.221 2.050 -10.816 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.773 2.350 -11.161 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.549 2.360 -12.664 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.400 3.279 -13.050 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.378 3.553 -14.514 1.00 0.00 N ATOM 0 H LYS A 108 -5.509 0.222 -9.072 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.912 3.080 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.436 1.009 -11.059 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.869 2.663 -11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.491 3.317 -10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.126 1.603 -10.701 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.338 1.348 -13.008 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.460 2.684 -13.167 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.488 4.219 -12.506 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.455 2.825 -12.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.397 3.700 -14.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.786 2.744 -15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.937 4.407 -14.716 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.298 3.936 -9.796 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.643 4.498 -9.754 1.00 0.00 C ATOM 1147 C LYS A 109 -9.614 3.645 -10.564 1.00 0.00 C ATOM 1148 O LYS A 109 -10.652 3.221 -10.058 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.636 5.931 -10.290 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.015 6.565 -10.348 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.358 7.275 -9.049 1.00 0.00 C ATOM 1152 CE LYS A 109 -11.825 7.675 -9.004 1.00 0.00 C ATOM 1153 NZ LYS A 109 -12.316 7.823 -7.606 1.00 0.00 N ATOM 0 H LYS A 109 -6.617 4.509 -10.295 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.974 4.507 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.990 6.543 -9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.201 5.934 -11.290 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.055 7.276 -11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.761 5.797 -10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.131 6.623 -8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.734 8.162 -8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.962 8.615 -9.539 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.422 6.924 -9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.319 8.096 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -12.209 6.919 -7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.763 8.557 -7.120 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.268 3.398 -11.824 1.00 0.00 N ATOM 1168 CA GLU A 110 -10.111 2.596 -12.703 1.00 0.00 C ATOM 1169 C GLU A 110 -10.019 1.116 -12.342 1.00 0.00 C ATOM 1170 O GLU A 110 -11.004 0.382 -12.428 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.704 2.802 -14.164 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.674 2.187 -15.158 1.00 0.00 C ATOM 1173 CD GLU A 110 -10.186 2.292 -16.590 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -10.047 3.428 -17.089 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -9.943 1.236 -17.212 1.00 0.00 O ATOM 0 H GLU A 110 -8.411 3.741 -12.258 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.143 2.921 -12.571 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.622 3.871 -14.362 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.715 2.372 -14.321 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.829 1.138 -14.907 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.641 2.682 -15.070 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.828 0.684 -11.940 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.606 -0.709 -11.568 1.00 0.00 C ATOM 1184 C PHE A 111 -8.769 -0.902 -10.063 1.00 0.00 C ATOM 1185 O PHE A 111 -8.314 -1.898 -9.501 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.210 -1.159 -12.003 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.916 -0.885 -13.450 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.558 -1.600 -14.448 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.998 0.088 -13.812 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -7.289 -1.350 -15.781 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.725 0.342 -15.143 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.372 -0.377 -16.129 1.00 0.00 C ATOM 0 H PHE A 111 -8.002 1.278 -11.864 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.352 -1.319 -12.078 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.466 -0.654 -11.387 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -7.107 -2.228 -11.815 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.277 -2.361 -14.182 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.490 0.654 -13.045 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.795 -1.915 -16.550 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.006 1.102 -15.412 1.00 0.00 H new ATOM 0 HZ PHE A 111 -6.162 -0.179 -17.170 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.421 0.058 -9.416 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.646 -0.006 -7.977 1.00 0.00 C ATOM 1204 C ALA A 112 -10.661 -1.089 -7.628 1.00 0.00 C ATOM 1205 O ALA A 112 -11.627 -1.326 -8.353 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.112 1.345 -7.455 1.00 0.00 C ATOM 0 H ALA A 112 -9.803 0.890 -9.866 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.701 -0.262 -7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.276 1.282 -6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.351 2.097 -7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.043 1.624 -7.948 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.438 -1.765 -6.491 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.323 -2.835 -6.019 1.00 0.00 C ATOM 1214 C PRO A 113 -12.676 -2.306 -5.556 1.00 0.00 C ATOM 1215 O PRO A 113 -12.820 -1.122 -5.253 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.553 -3.439 -4.842 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.675 -2.337 -4.358 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.307 -1.536 -5.577 1.00 0.00 C ATOM 0 HA PRO A 113 -11.553 -3.551 -6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.230 -3.779 -4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.967 -4.304 -5.154 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.193 -1.718 -3.626 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.786 -2.733 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.188 -0.478 -5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.366 -1.874 -6.010 1.00 0.00 H new ATOM 1226 N SER A 114 -13.666 -3.192 -5.504 1.00 0.00 N ATOM 1227 CA SER A 114 -15.009 -2.813 -5.080 1.00 0.00 C ATOM 1228 C SER A 114 -15.230 -3.151 -3.609 1.00 0.00 C ATOM 1229 O SER A 114 -14.399 -3.805 -2.979 1.00 0.00 O ATOM 1230 CB SER A 114 -16.057 -3.522 -5.941 1.00 0.00 C ATOM 1231 OG SER A 114 -16.384 -2.752 -7.084 1.00 0.00 O ATOM 0 H SER A 114 -13.563 -4.177 -5.750 1.00 0.00 H new ATOM 0 HA SER A 114 -15.113 -1.735 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.679 -4.496 -6.251 1.00 0.00 H new ATOM 0 HB3 SER A 114 -16.956 -3.702 -5.351 1.00 0.00 H new ATOM 0 HG SER A 114 -17.054 -3.228 -7.618 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.356 -2.699 -3.068 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.689 -2.953 -1.671 1.00 0.00 C ATOM 1239 C ASP A 115 -16.704 -4.450 -1.379 1.00 0.00 C ATOM 1240 O ASP A 115 -15.860 -4.956 -0.640 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.048 -2.340 -1.328 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.099 -0.852 -1.611 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -17.708 -0.065 -0.723 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -18.531 -0.473 -2.720 1.00 0.00 O ATOM 0 H ASP A 115 -17.054 -2.155 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 115 -15.923 -2.488 -1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -18.826 -2.843 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.267 -2.514 -0.274 1.00 0.00 H new ATOM 1249 N GLU A 116 -17.668 -5.152 -1.965 1.00 0.00 N ATOM 1250 CA GLU A 116 -17.794 -6.591 -1.765 1.00 0.00 C ATOM 1251 C GLU A 116 -16.486 -7.303 -2.099 1.00 0.00 C ATOM 1252 O GLU A 116 -16.041 -8.183 -1.364 1.00 0.00 O ATOM 1253 CB GLU A 116 -18.926 -7.152 -2.628 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.311 -6.887 -2.061 1.00 0.00 C ATOM 1255 CD GLU A 116 -20.546 -5.421 -1.754 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -20.119 -4.569 -2.562 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -21.156 -5.125 -0.705 1.00 0.00 O ATOM 0 H GLU A 116 -18.373 -4.748 -2.582 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.026 -6.766 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -18.861 -6.717 -3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -18.788 -8.227 -2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.062 -7.230 -2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -20.444 -7.471 -1.150 1.00 0.00 H new ATOM 1264 N GLU A 117 -15.876 -6.914 -3.215 1.00 0.00 N ATOM 1265 CA GLU A 117 -14.620 -7.515 -3.647 1.00 0.00 C ATOM 1266 C GLU A 117 -13.534 -7.325 -2.593 1.00 0.00 C ATOM 1267 O GLU A 117 -12.762 -8.242 -2.307 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.168 -6.906 -4.976 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.245 -6.917 -6.048 1.00 0.00 C ATOM 1270 CD GLU A 117 -15.502 -8.305 -6.603 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -15.477 -9.273 -5.814 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -15.729 -8.422 -7.825 1.00 0.00 O ATOM 0 H GLU A 117 -16.231 -6.186 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 117 -14.787 -8.584 -3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.848 -5.878 -4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.299 -7.454 -5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.171 -6.519 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.950 -6.254 -6.861 1.00 0.00 H new ATOM 1279 N LEU A 118 -13.479 -6.129 -2.018 1.00 0.00 N ATOM 1280 CA LEU A 118 -12.488 -5.816 -0.994 1.00 0.00 C ATOM 1281 C LEU A 118 -12.577 -6.798 0.169 1.00 0.00 C ATOM 1282 O LEU A 118 -11.585 -7.422 0.546 1.00 0.00 O ATOM 1283 CB LEU A 118 -12.683 -4.387 -0.486 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.105 -3.277 -1.365 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -12.765 -1.944 -1.045 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.597 -3.184 -1.183 1.00 0.00 C ATOM 0 H LEU A 118 -14.109 -5.359 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.499 -5.903 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -13.751 -4.208 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.233 -4.310 0.504 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.311 -3.521 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.341 -1.166 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.837 -2.016 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.590 -1.693 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.202 -2.389 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.369 -2.964 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.138 -4.132 -1.463 1.00 0.00 H new ATOM 1298 N ASP A 119 -13.773 -6.933 0.732 1.00 0.00 N ATOM 1299 CA ASP A 119 -13.994 -7.842 1.851 1.00 0.00 C ATOM 1300 C ASP A 119 -13.533 -9.254 1.503 1.00 0.00 C ATOM 1301 O ASP A 119 -12.911 -9.933 2.319 1.00 0.00 O ATOM 1302 CB ASP A 119 -15.473 -7.857 2.239 1.00 0.00 C ATOM 1303 CG ASP A 119 -15.683 -8.179 3.706 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -14.850 -8.912 4.277 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -16.682 -7.698 4.282 1.00 0.00 O ATOM 0 H ASP A 119 -14.605 -6.424 0.432 1.00 0.00 H new ATOM 0 HA ASP A 119 -13.408 -7.486 2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -15.914 -6.885 2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -15.998 -8.593 1.630 1.00 0.00 H new ATOM 1310 N SER A 120 -13.842 -9.689 0.285 1.00 0.00 N ATOM 1311 CA SER A 120 -13.464 -11.021 -0.169 1.00 0.00 C ATOM 1312 C SER A 120 -11.977 -11.078 -0.510 1.00 0.00 C ATOM 1313 O SER A 120 -11.391 -12.156 -0.605 1.00 0.00 O ATOM 1314 CB SER A 120 -14.294 -11.422 -1.391 1.00 0.00 C ATOM 1315 OG SER A 120 -15.675 -11.464 -1.077 1.00 0.00 O ATOM 0 H SER A 120 -14.353 -9.138 -0.404 1.00 0.00 H new ATOM 0 HA SER A 120 -13.661 -11.723 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.123 -10.712 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 120 -13.970 -12.399 -1.751 1.00 0.00 H new ATOM 0 HG SER A 120 -16.035 -10.553 -1.064 1.00 0.00 H new ATOM 1321 N TYR A 121 -11.374 -9.908 -0.692 1.00 0.00 N ATOM 1322 CA TYR A 121 -9.957 -9.823 -1.024 1.00 0.00 C ATOM 1323 C TYR A 121 -9.096 -9.936 0.230 1.00 0.00 C ATOM 1324 O TYR A 121 -7.954 -10.393 0.173 1.00 0.00 O ATOM 1325 CB TYR A 121 -9.659 -8.506 -1.744 1.00 0.00 C ATOM 1326 CG TYR A 121 -9.988 -8.536 -3.220 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.617 -9.615 -4.013 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -10.669 -7.484 -3.821 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.914 -9.645 -5.362 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -10.972 -7.507 -5.169 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.592 -8.590 -5.935 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.891 -8.616 -7.278 1.00 0.00 O ATOM 0 H TYR A 121 -11.844 -9.006 -0.615 1.00 0.00 H new ATOM 0 HA TYR A 121 -9.714 -10.655 -1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.227 -7.706 -1.270 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -8.603 -8.264 -1.620 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -9.088 -10.444 -3.567 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -10.966 -6.634 -3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -9.617 -10.490 -5.965 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.503 -6.682 -5.620 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.372 -7.798 -7.522 1.00 0.00 H new ATOM 1342 N ARG A 122 -9.652 -9.516 1.361 1.00 0.00 N ATOM 1343 CA ARG A 122 -8.936 -9.568 2.630 1.00 0.00 C ATOM 1344 C ARG A 122 -9.152 -10.912 3.321 1.00 0.00 C ATOM 1345 O ARG A 122 -8.261 -11.422 4.001 1.00 0.00 O ATOM 1346 CB ARG A 122 -9.394 -8.432 3.546 1.00 0.00 C ATOM 1347 CG ARG A 122 -10.818 -8.594 4.052 1.00 0.00 C ATOM 1348 CD ARG A 122 -11.051 -7.797 5.326 1.00 0.00 C ATOM 1349 NE ARG A 122 -11.522 -6.443 5.046 1.00 0.00 N ATOM 1350 CZ ARG A 122 -11.447 -5.444 5.918 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -10.922 -5.646 7.119 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -11.896 -4.240 5.589 1.00 0.00 N ATOM 0 H ARG A 122 -10.596 -9.136 1.425 1.00 0.00 H new ATOM 0 HA ARG A 122 -7.872 -9.452 2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -8.719 -8.370 4.400 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -9.314 -7.488 3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -11.518 -8.266 3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -11.021 -9.648 4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -11.782 -8.314 5.948 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -10.124 -7.748 5.897 1.00 0.00 H new ATOM 0 HE ARG A 122 -11.931 -6.254 4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -10.575 -6.570 7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -10.866 -4.877 7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -12.299 -4.081 4.666 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -11.838 -3.473 6.259 1.00 0.00 H new ATOM 1366 N ARG A 123 -10.340 -11.479 3.142 1.00 0.00 N ATOM 1367 CA ARG A 123 -10.673 -12.762 3.749 1.00 0.00 C ATOM 1368 C ARG A 123 -9.699 -13.846 3.299 1.00 0.00 C ATOM 1369 O ARG A 123 -9.440 -14.804 4.027 1.00 0.00 O ATOM 1370 CB ARG A 123 -12.104 -13.165 3.387 1.00 0.00 C ATOM 1371 CG ARG A 123 -12.238 -13.746 1.988 1.00 0.00 C ATOM 1372 CD ARG A 123 -13.536 -14.522 1.829 1.00 0.00 C ATOM 1373 NE ARG A 123 -14.025 -14.493 0.453 1.00 0.00 N ATOM 1374 CZ ARG A 123 -14.830 -15.416 -0.060 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -15.235 -16.436 0.685 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -15.233 -15.321 -1.320 1.00 0.00 N ATOM 0 H ARG A 123 -11.088 -11.070 2.582 1.00 0.00 H new ATOM 0 HA ARG A 123 -10.595 -12.655 4.831 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -12.460 -13.898 4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -12.751 -12.292 3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -12.202 -12.941 1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.393 -14.403 1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -13.380 -15.556 2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -14.293 -14.103 2.492 1.00 0.00 H new ATOM 0 HE ARG A 123 -13.732 -13.722 -0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -14.928 -16.513 1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -15.853 -17.143 0.288 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -14.925 -14.538 -1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -15.851 -16.031 -1.713 1.00 0.00 H new ATOM 1390 N GLY A 124 -9.161 -13.688 2.093 1.00 0.00 N ATOM 1391 CA GLY A 124 -8.221 -14.661 1.567 1.00 0.00 C ATOM 1392 C GLY A 124 -8.890 -15.968 1.189 1.00 0.00 C ATOM 1393 O GLY A 124 -9.990 -16.267 1.655 1.00 0.00 O ATOM 0 H GLY A 124 -9.359 -12.904 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -7.724 -14.244 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -7.448 -14.854 2.311 1.00 0.00 H new ATOM 1397 N SER A 125 -8.226 -16.747 0.342 1.00 0.00 N ATOM 1398 CA SER A 125 -8.766 -18.027 -0.103 1.00 0.00 C ATOM 1399 C SER A 125 -9.138 -18.903 1.090 1.00 0.00 C ATOM 1400 O SER A 125 -8.291 -19.234 1.919 1.00 0.00 O ATOM 1401 CB SER A 125 -7.751 -18.753 -0.987 1.00 0.00 C ATOM 1402 OG SER A 125 -6.649 -19.216 -0.225 1.00 0.00 O ATOM 0 H SER A 125 -7.313 -16.515 -0.050 1.00 0.00 H new ATOM 0 HA SER A 125 -9.668 -17.832 -0.684 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.233 -19.595 -1.483 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.399 -18.081 -1.769 1.00 0.00 H new ATOM 0 HG SER A 125 -6.916 -19.310 0.713 1.00 0.00 H new ATOM 1408 N GLY A 126 -10.411 -19.277 1.168 1.00 0.00 N ATOM 1409 CA GLY A 126 -10.874 -20.111 2.261 1.00 0.00 C ATOM 1410 C GLY A 126 -12.105 -20.917 1.895 1.00 0.00 C ATOM 1411 O GLY A 126 -12.325 -21.260 0.733 1.00 0.00 O ATOM 0 H GLY A 126 -11.130 -19.017 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -10.075 -20.790 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -11.098 -19.483 3.123 1.00 0.00 H new ATOM 1415 N PRO A 127 -12.932 -21.233 2.903 1.00 0.00 N ATOM 1416 CA PRO A 127 -14.160 -22.008 2.706 1.00 0.00 C ATOM 1417 C PRO A 127 -15.225 -21.223 1.948 1.00 0.00 C ATOM 1418 O PRO A 127 -15.888 -20.352 2.512 1.00 0.00 O ATOM 1419 CB PRO A 127 -14.627 -22.301 4.134 1.00 0.00 C ATOM 1420 CG PRO A 127 -14.045 -21.204 4.956 1.00 0.00 C ATOM 1421 CD PRO A 127 -12.731 -20.856 4.313 1.00 0.00 C ATOM 0 HA PRO A 127 -13.986 -22.902 2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -15.715 -22.311 4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -14.278 -23.277 4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -14.709 -20.340 4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -13.902 -21.524 5.988 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -12.501 -19.796 4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -11.905 -21.407 4.763 1.00 0.00 H new ATOM 1429 N SER A 128 -15.386 -21.538 0.666 1.00 0.00 N ATOM 1430 CA SER A 128 -16.369 -20.859 -0.170 1.00 0.00 C ATOM 1431 C SER A 128 -17.714 -21.577 -0.118 1.00 0.00 C ATOM 1432 O SER A 128 -17.834 -22.726 -0.545 1.00 0.00 O ATOM 1433 CB SER A 128 -15.874 -20.783 -1.616 1.00 0.00 C ATOM 1434 OG SER A 128 -14.661 -20.056 -1.701 1.00 0.00 O ATOM 0 H SER A 128 -14.848 -22.259 0.184 1.00 0.00 H new ATOM 0 HA SER A 128 -16.501 -19.848 0.215 1.00 0.00 H new ATOM 0 HB2 SER A 128 -15.727 -21.790 -2.007 1.00 0.00 H new ATOM 0 HB3 SER A 128 -16.632 -20.307 -2.239 1.00 0.00 H new ATOM 0 HG SER A 128 -14.364 -20.023 -2.634 1.00 0.00 H new ATOM 1440 N SER A 129 -18.724 -20.891 0.408 1.00 0.00 N ATOM 1441 CA SER A 129 -20.060 -21.464 0.519 1.00 0.00 C ATOM 1442 C SER A 129 -20.579 -21.903 -0.847 1.00 0.00 C ATOM 1443 O SER A 129 -20.982 -23.051 -1.031 1.00 0.00 O ATOM 1444 CB SER A 129 -21.022 -20.449 1.141 1.00 0.00 C ATOM 1445 OG SER A 129 -20.980 -19.214 0.447 1.00 0.00 O ATOM 0 H SER A 129 -18.642 -19.938 0.764 1.00 0.00 H new ATOM 0 HA SER A 129 -20.000 -22.341 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 129 -22.037 -20.846 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 129 -20.762 -20.291 2.188 1.00 0.00 H new ATOM 0 HG SER A 129 -21.605 -18.584 0.863 1.00 0.00 H new ATOM 1451 N GLY A 130 -20.567 -20.978 -1.802 1.00 0.00 N ATOM 1452 CA GLY A 130 -21.038 -21.288 -3.139 1.00 0.00 C ATOM 1453 C GLY A 130 -21.363 -20.043 -3.942 1.00 0.00 C ATOM 1454 O GLY A 130 -21.216 -20.030 -5.164 1.00 0.00 O ATOM 0 H GLY A 130 -20.240 -20.020 -1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -20.278 -21.867 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -21.927 -21.916 -3.072 1.00 0.00 H new TER 1458 GLY A 130