USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 676 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 12 LYS NZ :NH3+ 177:sc= 0.0589 (180deg=0) USER MOD Set 1.2: A 20 SER OG : rot -179:sc= -0.101 USER MOD Single : A 10 CYS SG : rot -5:sc= 1.01 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 2.33 (180deg=2.2) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -165:sc= -0.571 USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.1) USER MOD Single : A 42 THR OG1 : rot -158:sc= 0.808 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.721 K(o=-0.72,f=-8.5!) USER MOD Single : A 53 HIS : no HD1:sc=-0.00206 X(o=-0.0021,f=0) USER MOD Single : A 57 THR OG1 : rot 160:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 1.14 (180deg=0.896) USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= 1.87 (180deg=0.721!) USER MOD Single : A 64 GLN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 157:sc= -0.0203 (180deg=-0.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= 1.26 (180deg=0.743) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.242 F(o=-0.95,f=-0.24) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -173:sc= 0 (180deg=-0.0401) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 4.599 10.010 -7.655 1.00 0.00 N ATOM 45 CA ILE A 4 4.600 9.544 -6.273 1.00 0.00 C ATOM 46 C ILE A 4 4.143 10.650 -5.325 1.00 0.00 C ATOM 47 O ILE A 4 4.826 11.662 -5.158 1.00 0.00 O ATOM 48 CB ILE A 4 6.011 9.058 -5.857 1.00 0.00 C ATOM 49 CG1 ILE A 4 6.454 7.882 -6.736 1.00 0.00 C ATOM 50 CG2 ILE A 4 6.043 8.672 -4.385 1.00 0.00 C ATOM 51 CD1 ILE A 4 5.548 6.671 -6.644 1.00 0.00 C ATOM 0 HA ILE A 4 3.902 8.709 -6.207 1.00 0.00 H new ATOM 0 HB ILE A 4 6.711 9.881 -6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.497 8.213 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.465 7.590 -6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.045 8.334 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.778 9.536 -3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.329 7.868 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.928 5.882 -7.294 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.523 6.313 -5.615 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.541 6.946 -6.957 1.00 0.00 H new ATOM 63 N GLU A 5 2.979 10.455 -4.723 1.00 0.00 N ATOM 64 CA GLU A 5 2.452 11.402 -3.752 1.00 0.00 C ATOM 65 C GLU A 5 1.785 10.678 -2.585 1.00 0.00 C ATOM 66 O GLU A 5 1.689 9.448 -2.576 1.00 0.00 O ATOM 67 CB GLU A 5 1.504 12.403 -4.430 1.00 0.00 C ATOM 68 CG GLU A 5 0.704 11.830 -5.593 1.00 0.00 C ATOM 69 CD GLU A 5 -0.558 11.117 -5.163 1.00 0.00 C ATOM 70 OE1 GLU A 5 -0.485 9.927 -4.820 1.00 0.00 O ATOM 71 OE2 GLU A 5 -1.640 11.747 -5.194 1.00 0.00 O ATOM 0 H GLU A 5 2.380 9.647 -4.891 1.00 0.00 H new ATOM 0 HA GLU A 5 3.284 11.972 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.810 12.789 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.088 13.250 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.441 12.638 -6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.333 11.135 -6.149 1.00 0.00 H new ATOM 78 N VAL A 6 1.355 11.443 -1.589 1.00 0.00 N ATOM 79 CA VAL A 6 0.805 10.872 -0.366 1.00 0.00 C ATOM 80 C VAL A 6 -0.552 10.224 -0.617 1.00 0.00 C ATOM 81 O VAL A 6 -1.455 10.845 -1.180 1.00 0.00 O ATOM 82 CB VAL A 6 0.658 11.937 0.740 1.00 0.00 C ATOM 83 CG1 VAL A 6 0.181 11.302 2.035 1.00 0.00 C ATOM 84 CG2 VAL A 6 1.976 12.666 0.954 1.00 0.00 C ATOM 0 H VAL A 6 1.377 12.463 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 6 1.510 10.110 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.090 12.663 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.084 12.070 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.786 10.827 1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.903 10.553 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.855 13.414 1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.743 11.951 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.275 13.156 0.028 1.00 0.00 H new ATOM 94 N GLY A 7 -0.686 8.974 -0.195 1.00 0.00 N ATOM 95 CA GLY A 7 -1.939 8.264 -0.351 1.00 0.00 C ATOM 96 C GLY A 7 -1.994 7.457 -1.630 1.00 0.00 C ATOM 97 O GLY A 7 -3.037 6.903 -1.978 1.00 0.00 O ATOM 0 H GLY A 7 0.055 8.437 0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.084 7.599 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.762 8.979 -0.341 1.00 0.00 H new ATOM 101 N ARG A 8 -0.883 7.394 -2.342 1.00 0.00 N ATOM 102 CA ARG A 8 -0.836 6.654 -3.592 1.00 0.00 C ATOM 103 C ARG A 8 -0.760 5.157 -3.329 1.00 0.00 C ATOM 104 O ARG A 8 0.022 4.700 -2.491 1.00 0.00 O ATOM 105 CB ARG A 8 0.363 7.081 -4.439 1.00 0.00 C ATOM 106 CG ARG A 8 0.302 6.557 -5.863 1.00 0.00 C ATOM 107 CD ARG A 8 -0.799 7.250 -6.654 1.00 0.00 C ATOM 108 NE ARG A 8 -1.333 6.405 -7.722 1.00 0.00 N ATOM 109 CZ ARG A 8 -1.584 6.834 -8.959 1.00 0.00 C ATOM 110 NH1 ARG A 8 -1.251 8.067 -9.329 1.00 0.00 N ATOM 111 NH2 ARG A 8 -2.163 6.029 -9.838 1.00 0.00 N ATOM 0 H ARG A 8 -0.006 7.843 -2.079 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.752 6.877 -4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.416 8.169 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.279 6.726 -3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.262 6.716 -6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.124 5.482 -5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.607 7.531 -5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.408 8.172 -7.085 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.525 5.427 -7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.799 8.694 -8.664 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.448 8.385 -10.278 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.418 5.079 -9.569 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.354 6.360 -10.784 1.00 0.00 H new ATOM 125 N ILE A 9 -1.583 4.403 -4.036 1.00 0.00 N ATOM 126 CA ILE A 9 -1.517 2.956 -3.987 1.00 0.00 C ATOM 127 C ILE A 9 -0.451 2.465 -4.959 1.00 0.00 C ATOM 128 O ILE A 9 -0.569 2.651 -6.174 1.00 0.00 O ATOM 129 CB ILE A 9 -2.876 2.312 -4.341 1.00 0.00 C ATOM 130 CG1 ILE A 9 -3.973 2.823 -3.400 1.00 0.00 C ATOM 131 CG2 ILE A 9 -2.786 0.793 -4.277 1.00 0.00 C ATOM 132 CD1 ILE A 9 -3.724 2.522 -1.935 1.00 0.00 C ATOM 0 H ILE A 9 -2.307 4.772 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.262 2.663 -2.969 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.133 2.597 -5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.071 3.901 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.924 2.379 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.754 0.360 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.036 0.443 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.504 0.487 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.546 2.917 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.656 1.444 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.790 2.989 -1.621 1.00 0.00 H new ATOM 144 N CYS A 10 0.603 1.880 -4.422 1.00 0.00 N ATOM 145 CA CYS A 10 1.676 1.361 -5.247 1.00 0.00 C ATOM 146 C CYS A 10 1.779 -0.145 -5.094 1.00 0.00 C ATOM 147 O CYS A 10 1.604 -0.684 -3.999 1.00 0.00 O ATOM 148 CB CYS A 10 3.006 2.035 -4.894 1.00 0.00 C ATOM 149 SG CYS A 10 3.362 2.105 -3.122 1.00 0.00 S ATOM 0 H CYS A 10 0.739 1.753 -3.419 1.00 0.00 H new ATOM 0 HA CYS A 10 1.450 1.586 -6.289 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.814 1.500 -5.394 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.002 3.050 -5.292 1.00 0.00 H new ATOM 0 HG CYS A 10 2.340 1.656 -2.456 1.00 0.00 H new ATOM 155 N VAL A 11 2.034 -0.821 -6.198 1.00 0.00 N ATOM 156 CA VAL A 11 2.149 -2.265 -6.191 1.00 0.00 C ATOM 157 C VAL A 11 3.613 -2.679 -6.172 1.00 0.00 C ATOM 158 O VAL A 11 4.479 -1.988 -6.721 1.00 0.00 O ATOM 159 CB VAL A 11 1.434 -2.895 -7.409 1.00 0.00 C ATOM 160 CG1 VAL A 11 2.089 -2.466 -8.714 1.00 0.00 C ATOM 161 CG2 VAL A 11 1.389 -4.415 -7.301 1.00 0.00 C ATOM 0 H VAL A 11 2.166 -0.391 -7.113 1.00 0.00 H new ATOM 0 HA VAL A 11 1.662 -2.633 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 11 0.407 -2.529 -7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.565 -2.925 -9.552 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.041 -1.381 -8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.131 -2.785 -8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.880 -4.827 -8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.405 -4.807 -7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.850 -4.700 -6.398 1.00 0.00 H new ATOM 171 N LYS A 12 3.883 -3.792 -5.516 1.00 0.00 N ATOM 172 CA LYS A 12 5.220 -4.355 -5.473 1.00 0.00 C ATOM 173 C LYS A 12 5.534 -5.059 -6.788 1.00 0.00 C ATOM 174 O LYS A 12 5.306 -6.254 -6.922 1.00 0.00 O ATOM 175 CB LYS A 12 5.352 -5.348 -4.313 1.00 0.00 C ATOM 176 CG LYS A 12 4.162 -6.290 -4.197 1.00 0.00 C ATOM 177 CD LYS A 12 4.549 -7.655 -3.657 1.00 0.00 C ATOM 178 CE LYS A 12 5.155 -7.583 -2.270 1.00 0.00 C ATOM 179 NZ LYS A 12 5.122 -8.911 -1.606 1.00 0.00 N ATOM 0 H LYS A 12 3.186 -4.329 -5.000 1.00 0.00 H new ATOM 0 HA LYS A 12 5.929 -3.541 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.261 -5.935 -4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.463 -4.795 -3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.412 -5.844 -3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.700 -6.409 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.667 -8.295 -3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.262 -8.122 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.184 -7.231 -2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.609 -6.857 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.588 -8.847 -0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.134 -9.210 -1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.620 -9.607 -2.197 1.00 0.00 H new ATOM 193 N VAL A 13 6.015 -4.311 -7.770 1.00 0.00 N ATOM 194 CA VAL A 13 6.374 -4.903 -9.052 1.00 0.00 C ATOM 195 C VAL A 13 7.460 -5.950 -8.845 1.00 0.00 C ATOM 196 O VAL A 13 7.271 -7.117 -9.182 1.00 0.00 O ATOM 197 CB VAL A 13 6.856 -3.841 -10.063 1.00 0.00 C ATOM 198 CG1 VAL A 13 7.200 -4.479 -11.400 1.00 0.00 C ATOM 199 CG2 VAL A 13 5.799 -2.764 -10.244 1.00 0.00 C ATOM 0 H VAL A 13 6.165 -3.304 -7.707 1.00 0.00 H new ATOM 0 HA VAL A 13 5.480 -5.370 -9.466 1.00 0.00 H new ATOM 0 HB VAL A 13 7.760 -3.379 -9.666 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.537 -3.709 -12.094 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.993 -5.213 -11.259 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.317 -4.972 -11.806 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.154 -2.023 -10.960 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.879 -3.216 -10.615 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.605 -2.280 -9.287 1.00 0.00 H new ATOM 287 N GLY A 19 2.119 -9.697 -5.319 1.00 0.00 N ATOM 288 CA GLY A 19 0.856 -10.004 -4.675 1.00 0.00 C ATOM 289 C GLY A 19 0.583 -9.161 -3.444 1.00 0.00 C ATOM 290 O GLY A 19 0.012 -9.648 -2.467 1.00 0.00 O ATOM 0 HA2 GLY A 19 0.047 -9.859 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.847 -11.057 -4.394 1.00 0.00 H new ATOM 294 N SER A 20 0.977 -7.898 -3.477 1.00 0.00 N ATOM 295 CA SER A 20 0.739 -6.999 -2.354 1.00 0.00 C ATOM 296 C SER A 20 0.684 -5.550 -2.830 1.00 0.00 C ATOM 297 O SER A 20 1.283 -5.198 -3.846 1.00 0.00 O ATOM 298 CB SER A 20 1.845 -7.150 -1.301 1.00 0.00 C ATOM 299 OG SER A 20 2.049 -8.510 -0.946 1.00 0.00 O ATOM 0 H SER A 20 1.462 -7.471 -4.266 1.00 0.00 H new ATOM 0 HA SER A 20 -0.219 -7.264 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.774 -6.731 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.582 -6.577 -0.412 1.00 0.00 H new ATOM 0 HG SER A 20 2.750 -8.568 -0.263 1.00 0.00 H new ATOM 305 N LYS A 21 -0.044 -4.717 -2.100 1.00 0.00 N ATOM 306 CA LYS A 21 -0.071 -3.287 -2.372 1.00 0.00 C ATOM 307 C LYS A 21 0.447 -2.533 -1.158 1.00 0.00 C ATOM 308 O LYS A 21 0.242 -2.964 -0.024 1.00 0.00 O ATOM 309 CB LYS A 21 -1.487 -2.800 -2.706 1.00 0.00 C ATOM 310 CG LYS A 21 -2.145 -3.511 -3.879 1.00 0.00 C ATOM 311 CD LYS A 21 -3.088 -4.606 -3.408 1.00 0.00 C ATOM 312 CE LYS A 21 -3.797 -5.264 -4.578 1.00 0.00 C ATOM 313 NZ LYS A 21 -4.865 -6.196 -4.129 1.00 0.00 N ATOM 0 H LYS A 21 -0.625 -5.008 -1.313 1.00 0.00 H new ATOM 0 HA LYS A 21 0.564 -3.097 -3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.116 -2.924 -1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.448 -1.732 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.696 -2.789 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.377 -3.942 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.528 -5.357 -2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.825 -4.185 -2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.232 -4.496 -5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.071 -5.808 -5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.243 -6.712 -4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.470 -6.874 -3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.630 -5.655 -3.677 1.00 0.00 H new ATOM 327 N CYS A 22 1.118 -1.421 -1.393 1.00 0.00 N ATOM 328 CA CYS A 22 1.621 -0.604 -0.305 1.00 0.00 C ATOM 329 C CYS A 22 1.074 0.812 -0.413 1.00 0.00 C ATOM 330 O CYS A 22 0.865 1.330 -1.516 1.00 0.00 O ATOM 331 CB CYS A 22 3.149 -0.578 -0.315 1.00 0.00 C ATOM 332 SG CYS A 22 3.921 -2.214 -0.326 1.00 0.00 S ATOM 0 H CYS A 22 1.327 -1.063 -2.325 1.00 0.00 H new ATOM 0 HA CYS A 22 1.287 -1.041 0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.486 -0.024 -1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.497 -0.031 0.561 1.00 0.00 H new ATOM 0 HG CYS A 22 5.214 -2.083 -0.336 1.00 0.00 H new ATOM 338 N VAL A 23 0.844 1.433 0.728 1.00 0.00 N ATOM 339 CA VAL A 23 0.303 2.780 0.766 1.00 0.00 C ATOM 340 C VAL A 23 1.377 3.763 1.206 1.00 0.00 C ATOM 341 O VAL A 23 2.010 3.578 2.249 1.00 0.00 O ATOM 342 CB VAL A 23 -0.904 2.880 1.723 1.00 0.00 C ATOM 343 CG1 VAL A 23 -1.523 4.270 1.676 1.00 0.00 C ATOM 344 CG2 VAL A 23 -1.943 1.821 1.389 1.00 0.00 C ATOM 0 H VAL A 23 1.024 1.025 1.645 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.035 3.027 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.545 2.703 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.371 4.314 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.779 5.010 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.862 4.483 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.785 1.909 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.292 1.963 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.498 0.831 1.486 1.00 0.00 H new ATOM 354 N ILE A 24 1.593 4.792 0.402 1.00 0.00 N ATOM 355 CA ILE A 24 2.557 5.831 0.727 1.00 0.00 C ATOM 356 C ILE A 24 1.954 6.794 1.749 1.00 0.00 C ATOM 357 O ILE A 24 1.208 7.707 1.394 1.00 0.00 O ATOM 358 CB ILE A 24 2.985 6.611 -0.533 1.00 0.00 C ATOM 359 CG1 ILE A 24 3.431 5.638 -1.631 1.00 0.00 C ATOM 360 CG2 ILE A 24 4.100 7.594 -0.201 1.00 0.00 C ATOM 361 CD1 ILE A 24 3.717 6.309 -2.956 1.00 0.00 C ATOM 0 H ILE A 24 1.110 4.930 -0.486 1.00 0.00 H new ATOM 0 HA ILE A 24 3.441 5.353 1.148 1.00 0.00 H new ATOM 0 HB ILE A 24 2.130 7.179 -0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.327 5.114 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.656 4.885 -1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.389 8.135 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.749 8.302 0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.961 7.050 0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.027 5.559 -3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.817 6.810 -3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.514 7.042 -2.828 1.00 0.00 H new ATOM 373 N VAL A 25 2.263 6.571 3.020 1.00 0.00 N ATOM 374 CA VAL A 25 1.643 7.334 4.098 1.00 0.00 C ATOM 375 C VAL A 25 2.529 8.482 4.573 1.00 0.00 C ATOM 376 O VAL A 25 2.030 9.477 5.104 1.00 0.00 O ATOM 377 CB VAL A 25 1.291 6.436 5.305 1.00 0.00 C ATOM 378 CG1 VAL A 25 0.237 5.411 4.920 1.00 0.00 C ATOM 379 CG2 VAL A 25 2.533 5.748 5.857 1.00 0.00 C ATOM 0 H VAL A 25 2.937 5.871 3.330 1.00 0.00 H new ATOM 0 HA VAL A 25 0.726 7.749 3.681 1.00 0.00 H new ATOM 0 HB VAL A 25 0.883 7.072 6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.003 4.788 5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.665 5.924 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.617 4.784 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.256 5.123 6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.981 5.128 5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.252 6.500 6.181 1.00 0.00 H new ATOM 389 N ASP A 26 3.837 8.351 4.387 1.00 0.00 N ATOM 390 CA ASP A 26 4.766 9.367 4.865 1.00 0.00 C ATOM 391 C ASP A 26 5.912 9.567 3.883 1.00 0.00 C ATOM 392 O ASP A 26 6.485 8.602 3.370 1.00 0.00 O ATOM 393 CB ASP A 26 5.318 8.982 6.243 1.00 0.00 C ATOM 394 CG ASP A 26 6.227 10.047 6.829 1.00 0.00 C ATOM 395 OD1 ASP A 26 5.706 11.020 7.418 1.00 0.00 O ATOM 396 OD2 ASP A 26 7.461 9.907 6.725 1.00 0.00 O ATOM 0 H ASP A 26 4.275 7.560 3.914 1.00 0.00 H new ATOM 0 HA ASP A 26 4.220 10.306 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.487 8.804 6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.869 8.045 6.160 1.00 0.00 H new ATOM 401 N ILE A 27 6.228 10.824 3.612 1.00 0.00 N ATOM 402 CA ILE A 27 7.339 11.171 2.742 1.00 0.00 C ATOM 403 C ILE A 27 8.544 11.563 3.588 1.00 0.00 C ATOM 404 O ILE A 27 8.516 12.573 4.292 1.00 0.00 O ATOM 405 CB ILE A 27 6.980 12.337 1.795 1.00 0.00 C ATOM 406 CG1 ILE A 27 5.681 12.040 1.031 1.00 0.00 C ATOM 407 CG2 ILE A 27 8.123 12.604 0.825 1.00 0.00 C ATOM 408 CD1 ILE A 27 5.772 10.851 0.099 1.00 0.00 C ATOM 0 H ILE A 27 5.724 11.628 3.987 1.00 0.00 H new ATOM 0 HA ILE A 27 7.572 10.298 2.132 1.00 0.00 H new ATOM 0 HB ILE A 27 6.821 13.231 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.881 11.864 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.402 12.921 0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.855 13.428 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.021 12.865 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.312 11.710 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.815 10.708 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.548 11.030 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.019 9.957 0.672 1.00 0.00 H new ATOM 420 N ILE A 28 9.593 10.753 3.534 1.00 0.00 N ATOM 421 CA ILE A 28 10.780 10.994 4.337 1.00 0.00 C ATOM 422 C ILE A 28 11.768 11.868 3.578 1.00 0.00 C ATOM 423 O ILE A 28 12.204 12.911 4.070 1.00 0.00 O ATOM 424 CB ILE A 28 11.468 9.672 4.741 1.00 0.00 C ATOM 425 CG1 ILE A 28 10.474 8.756 5.463 1.00 0.00 C ATOM 426 CG2 ILE A 28 12.681 9.947 5.623 1.00 0.00 C ATOM 427 CD1 ILE A 28 11.034 7.390 5.805 1.00 0.00 C ATOM 0 H ILE A 28 9.644 9.924 2.942 1.00 0.00 H new ATOM 0 HA ILE A 28 10.461 11.508 5.244 1.00 0.00 H new ATOM 0 HB ILE A 28 11.811 9.169 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.146 9.244 6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.591 8.629 4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.153 9.003 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.395 10.564 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 28 12.364 10.470 6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.271 6.801 6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.335 6.881 4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.899 7.505 6.458 1.00 0.00 H new ATOM 439 N ASP A 29 12.110 11.438 2.375 1.00 0.00 N ATOM 440 CA ASP A 29 13.046 12.164 1.533 1.00 0.00 C ATOM 441 C ASP A 29 12.473 12.264 0.118 1.00 0.00 C ATOM 442 O ASP A 29 11.254 12.275 -0.055 1.00 0.00 O ATOM 443 CB ASP A 29 14.404 11.449 1.535 1.00 0.00 C ATOM 444 CG ASP A 29 15.529 12.309 0.993 1.00 0.00 C ATOM 445 OD1 ASP A 29 15.984 13.225 1.701 1.00 0.00 O ATOM 446 OD2 ASP A 29 15.968 12.074 -0.153 1.00 0.00 O ATOM 0 H ASP A 29 11.749 10.581 1.956 1.00 0.00 H new ATOM 0 HA ASP A 29 13.196 13.172 1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.646 11.144 2.553 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.330 10.540 0.939 1.00 0.00 H new ATOM 451 N ASP A 30 13.337 12.338 -0.884 1.00 0.00 N ATOM 452 CA ASP A 30 12.898 12.480 -2.268 1.00 0.00 C ATOM 453 C ASP A 30 12.336 11.162 -2.803 1.00 0.00 C ATOM 454 O ASP A 30 11.217 11.116 -3.313 1.00 0.00 O ATOM 455 CB ASP A 30 14.064 12.958 -3.133 1.00 0.00 C ATOM 456 CG ASP A 30 13.648 13.310 -4.546 1.00 0.00 C ATOM 457 OD1 ASP A 30 12.853 14.256 -4.718 1.00 0.00 O ATOM 458 OD2 ASP A 30 14.140 12.665 -5.493 1.00 0.00 O ATOM 0 H ASP A 30 14.349 12.302 -0.766 1.00 0.00 H new ATOM 0 HA ASP A 30 12.100 13.221 -2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.521 13.831 -2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.826 12.180 -3.168 1.00 0.00 H new ATOM 463 N ASN A 31 13.119 10.095 -2.689 1.00 0.00 N ATOM 464 CA ASN A 31 12.661 8.763 -3.080 1.00 0.00 C ATOM 465 C ASN A 31 12.400 7.898 -1.852 1.00 0.00 C ATOM 466 O ASN A 31 11.578 6.983 -1.891 1.00 0.00 O ATOM 467 CB ASN A 31 13.678 8.063 -3.994 1.00 0.00 C ATOM 468 CG ASN A 31 13.694 8.626 -5.402 1.00 0.00 C ATOM 469 OD1 ASN A 31 14.473 9.527 -5.716 1.00 0.00 O ATOM 470 ND2 ASN A 31 12.844 8.088 -6.267 1.00 0.00 N ATOM 0 H ASN A 31 14.073 10.124 -2.330 1.00 0.00 H new ATOM 0 HA ASN A 31 11.731 8.892 -3.633 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.673 8.157 -3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.448 6.998 -4.037 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.820 8.419 -7.231 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.215 7.343 -5.968 1.00 0.00 H new ATOM 477 N PHE A 32 13.107 8.184 -0.765 1.00 0.00 N ATOM 478 CA PHE A 32 12.919 7.447 0.479 1.00 0.00 C ATOM 479 C PHE A 32 11.576 7.797 1.110 1.00 0.00 C ATOM 480 O PHE A 32 11.404 8.887 1.664 1.00 0.00 O ATOM 481 CB PHE A 32 14.042 7.748 1.478 1.00 0.00 C ATOM 482 CG PHE A 32 15.399 7.256 1.056 1.00 0.00 C ATOM 483 CD1 PHE A 32 15.665 5.898 0.970 1.00 0.00 C ATOM 484 CD2 PHE A 32 16.413 8.153 0.762 1.00 0.00 C ATOM 485 CE1 PHE A 32 16.916 5.446 0.591 1.00 0.00 C ATOM 486 CE2 PHE A 32 17.665 7.707 0.386 1.00 0.00 C ATOM 487 CZ PHE A 32 17.918 6.352 0.303 1.00 0.00 C ATOM 0 H PHE A 32 13.813 8.918 -0.720 1.00 0.00 H new ATOM 0 HA PHE A 32 12.941 6.385 0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 32 14.093 8.825 1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 32 13.788 7.298 2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 32 14.887 5.186 1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 32 16.222 9.214 0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.109 4.386 0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.446 8.417 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 32 18.898 6.001 0.013 1.00 0.00 H new ATOM 497 N VAL A 33 10.621 6.887 1.007 1.00 0.00 N ATOM 498 CA VAL A 33 9.303 7.094 1.591 1.00 0.00 C ATOM 499 C VAL A 33 8.975 5.978 2.571 1.00 0.00 C ATOM 500 O VAL A 33 9.616 4.924 2.567 1.00 0.00 O ATOM 501 CB VAL A 33 8.194 7.163 0.516 1.00 0.00 C ATOM 502 CG1 VAL A 33 8.433 8.323 -0.437 1.00 0.00 C ATOM 503 CG2 VAL A 33 8.096 5.856 -0.254 1.00 0.00 C ATOM 0 H VAL A 33 10.733 5.996 0.524 1.00 0.00 H new ATOM 0 HA VAL A 33 9.335 8.051 2.111 1.00 0.00 H new ATOM 0 HB VAL A 33 7.246 7.328 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.639 8.350 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.437 9.259 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.394 8.193 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.308 5.933 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.047 5.652 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.863 5.044 0.435 1.00 0.00 H new ATOM 513 N LEU A 34 7.994 6.215 3.421 1.00 0.00 N ATOM 514 CA LEU A 34 7.557 5.204 4.362 1.00 0.00 C ATOM 515 C LEU A 34 6.245 4.603 3.878 1.00 0.00 C ATOM 516 O LEU A 34 5.228 5.296 3.770 1.00 0.00 O ATOM 517 CB LEU A 34 7.405 5.811 5.764 1.00 0.00 C ATOM 518 CG LEU A 34 7.333 4.812 6.928 1.00 0.00 C ATOM 519 CD1 LEU A 34 7.627 5.519 8.241 1.00 0.00 C ATOM 520 CD2 LEU A 34 5.966 4.141 7.000 1.00 0.00 C ATOM 0 H LEU A 34 7.486 7.098 3.479 1.00 0.00 H new ATOM 0 HA LEU A 34 8.304 4.413 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.245 6.483 5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.501 6.420 5.778 1.00 0.00 H new ATOM 0 HG LEU A 34 8.083 4.040 6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.573 4.802 9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.626 5.954 8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.893 6.309 8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.948 3.440 7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.196 4.899 7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.775 3.604 6.071 1.00 0.00 H new ATOM 532 N VAL A 35 6.272 3.316 3.576 1.00 0.00 N ATOM 533 CA VAL A 35 5.095 2.631 3.075 1.00 0.00 C ATOM 534 C VAL A 35 4.611 1.599 4.080 1.00 0.00 C ATOM 535 O VAL A 35 5.397 1.060 4.862 1.00 0.00 O ATOM 536 CB VAL A 35 5.359 1.945 1.716 1.00 0.00 C ATOM 537 CG1 VAL A 35 5.651 2.977 0.639 1.00 0.00 C ATOM 538 CG2 VAL A 35 6.502 0.949 1.822 1.00 0.00 C ATOM 0 H VAL A 35 7.098 2.725 3.670 1.00 0.00 H new ATOM 0 HA VAL A 35 4.324 3.387 2.927 1.00 0.00 H new ATOM 0 HB VAL A 35 4.458 1.400 1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.834 2.472 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.797 3.646 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.532 3.555 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.667 0.480 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.409 1.468 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.251 0.184 2.557 1.00 0.00 H new ATOM 548 N THR A 36 3.315 1.344 4.064 1.00 0.00 N ATOM 549 CA THR A 36 2.717 0.378 4.965 1.00 0.00 C ATOM 550 C THR A 36 1.346 -0.035 4.443 1.00 0.00 C ATOM 551 O THR A 36 0.840 0.548 3.482 1.00 0.00 O ATOM 552 CB THR A 36 2.581 0.961 6.393 1.00 0.00 C ATOM 553 OG1 THR A 36 2.156 -0.051 7.319 1.00 0.00 O ATOM 554 CG2 THR A 36 1.596 2.123 6.420 1.00 0.00 C ATOM 0 H THR A 36 2.654 1.796 3.432 1.00 0.00 H new ATOM 0 HA THR A 36 3.368 -0.495 5.012 1.00 0.00 H new ATOM 0 HB THR A 36 3.563 1.327 6.691 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.849 0.372 8.148 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.521 2.513 7.435 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.945 2.912 5.754 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.616 1.777 6.090 1.00 0.00 H new ATOM 562 N GLY A 37 0.768 -1.048 5.061 1.00 0.00 N ATOM 563 CA GLY A 37 -0.588 -1.438 4.746 1.00 0.00 C ATOM 564 C GLY A 37 -1.437 -1.465 5.996 1.00 0.00 C ATOM 565 O GLY A 37 -0.891 -1.535 7.098 1.00 0.00 O ATOM 0 H GLY A 37 1.217 -1.613 5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.015 -0.741 4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.590 -2.422 4.277 1.00 0.00 H new ATOM 569 N PRO A 38 -2.770 -1.390 5.870 1.00 0.00 N ATOM 570 CA PRO A 38 -3.672 -1.435 7.022 1.00 0.00 C ATOM 571 C PRO A 38 -3.402 -2.655 7.893 1.00 0.00 C ATOM 572 O PRO A 38 -3.476 -3.795 7.419 1.00 0.00 O ATOM 573 CB PRO A 38 -5.061 -1.523 6.389 1.00 0.00 C ATOM 574 CG PRO A 38 -4.899 -0.916 5.039 1.00 0.00 C ATOM 575 CD PRO A 38 -3.502 -1.254 4.599 1.00 0.00 C ATOM 0 HA PRO A 38 -3.552 -0.572 7.678 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.400 -2.557 6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.801 -0.983 6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.635 -1.314 4.341 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.046 0.163 5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.475 -2.176 4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.077 -0.470 3.972 1.00 0.00 H new ATOM 583 N LYS A 39 -3.096 -2.416 9.163 1.00 0.00 N ATOM 584 CA LYS A 39 -2.693 -3.488 10.067 1.00 0.00 C ATOM 585 C LYS A 39 -3.843 -4.462 10.302 1.00 0.00 C ATOM 586 O LYS A 39 -3.629 -5.653 10.521 1.00 0.00 O ATOM 587 CB LYS A 39 -2.202 -2.917 11.407 1.00 0.00 C ATOM 588 CG LYS A 39 -3.300 -2.310 12.272 1.00 0.00 C ATOM 589 CD LYS A 39 -2.786 -1.966 13.664 1.00 0.00 C ATOM 590 CE LYS A 39 -3.921 -1.623 14.620 1.00 0.00 C ATOM 591 NZ LYS A 39 -4.584 -0.337 14.278 1.00 0.00 N ATOM 0 H LYS A 39 -3.119 -1.490 9.590 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.871 -4.029 9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.711 -3.712 11.969 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.449 -2.154 11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.687 -1.411 11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.131 -3.011 12.352 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.220 -2.809 14.060 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.099 -1.123 13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.660 -2.424 14.604 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.532 -1.568 15.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.315 -0.124 14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.877 0.426 14.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.024 -0.412 13.339 1.00 0.00 H new ATOM 605 N ASP A 40 -5.060 -3.948 10.218 1.00 0.00 N ATOM 606 CA ASP A 40 -6.250 -4.734 10.511 1.00 0.00 C ATOM 607 C ASP A 40 -6.824 -5.357 9.236 1.00 0.00 C ATOM 608 O ASP A 40 -7.878 -5.985 9.256 1.00 0.00 O ATOM 609 CB ASP A 40 -7.279 -3.832 11.201 1.00 0.00 C ATOM 610 CG ASP A 40 -8.531 -4.559 11.650 1.00 0.00 C ATOM 611 OD1 ASP A 40 -8.425 -5.470 12.498 1.00 0.00 O ATOM 612 OD2 ASP A 40 -9.630 -4.190 11.182 1.00 0.00 O ATOM 0 H ASP A 40 -5.251 -2.983 9.947 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.989 -5.557 11.177 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.813 -3.363 12.067 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.561 -3.031 10.518 1.00 0.00 H new ATOM 617 N ILE A 41 -6.118 -5.198 8.120 1.00 0.00 N ATOM 618 CA ILE A 41 -6.565 -5.787 6.860 1.00 0.00 C ATOM 619 C ILE A 41 -5.446 -6.586 6.197 1.00 0.00 C ATOM 620 O ILE A 41 -5.395 -7.814 6.299 1.00 0.00 O ATOM 621 CB ILE A 41 -7.077 -4.721 5.860 1.00 0.00 C ATOM 622 CG1 ILE A 41 -8.219 -3.908 6.471 1.00 0.00 C ATOM 623 CG2 ILE A 41 -7.538 -5.379 4.565 1.00 0.00 C ATOM 624 CD1 ILE A 41 -8.731 -2.809 5.562 1.00 0.00 C ATOM 0 H ILE A 41 -5.245 -4.674 8.061 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.392 -6.450 7.114 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.252 -4.045 5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.042 -4.579 6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.879 -3.466 7.407 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.894 -4.614 3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.704 -5.916 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.346 -6.078 4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.540 -2.273 6.059 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.921 -2.116 5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.102 -3.247 4.635 1.00 0.00 H new ATOM 636 N THR A 42 -4.540 -5.876 5.539 1.00 0.00 N ATOM 637 CA THR A 42 -3.505 -6.499 4.728 1.00 0.00 C ATOM 638 C THR A 42 -2.414 -7.116 5.594 1.00 0.00 C ATOM 639 O THR A 42 -1.917 -8.207 5.301 1.00 0.00 O ATOM 640 CB THR A 42 -2.880 -5.459 3.787 1.00 0.00 C ATOM 641 OG1 THR A 42 -3.825 -4.403 3.561 1.00 0.00 O ATOM 642 CG2 THR A 42 -2.491 -6.088 2.458 1.00 0.00 C ATOM 0 H THR A 42 -4.502 -4.857 5.552 1.00 0.00 H new ATOM 0 HA THR A 42 -3.972 -7.294 4.146 1.00 0.00 H new ATOM 0 HB THR A 42 -1.978 -5.063 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.598 -3.933 2.732 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.051 -5.329 1.811 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.765 -6.883 2.630 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.377 -6.504 1.979 1.00 0.00 H new ATOM 650 N GLY A 43 -2.050 -6.414 6.661 1.00 0.00 N ATOM 651 CA GLY A 43 -1.014 -6.907 7.552 1.00 0.00 C ATOM 652 C GLY A 43 0.382 -6.675 7.003 1.00 0.00 C ATOM 653 O GLY A 43 1.273 -7.509 7.177 1.00 0.00 O ATOM 0 H GLY A 43 -2.452 -5.515 6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.107 -6.415 8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.162 -7.974 7.721 1.00 0.00 H new ATOM 657 N VAL A 44 0.569 -5.547 6.335 1.00 0.00 N ATOM 658 CA VAL A 44 1.868 -5.190 5.780 1.00 0.00 C ATOM 659 C VAL A 44 2.617 -4.287 6.746 1.00 0.00 C ATOM 660 O VAL A 44 2.131 -3.211 7.102 1.00 0.00 O ATOM 661 CB VAL A 44 1.733 -4.479 4.415 1.00 0.00 C ATOM 662 CG1 VAL A 44 3.099 -4.130 3.843 1.00 0.00 C ATOM 663 CG2 VAL A 44 0.952 -5.338 3.435 1.00 0.00 C ATOM 0 H VAL A 44 -0.165 -4.860 6.163 1.00 0.00 H new ATOM 0 HA VAL A 44 2.424 -6.115 5.628 1.00 0.00 H new ATOM 0 HB VAL A 44 1.184 -3.551 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.974 -3.631 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.623 -3.467 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.680 -5.042 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.869 -4.818 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.471 -6.285 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.045 -5.528 3.832 1.00 0.00 H new ATOM 673 N LYS A 45 3.786 -4.738 7.178 1.00 0.00 N ATOM 674 CA LYS A 45 4.595 -3.988 8.129 1.00 0.00 C ATOM 675 C LYS A 45 5.137 -2.702 7.509 1.00 0.00 C ATOM 676 O LYS A 45 5.511 -2.668 6.334 1.00 0.00 O ATOM 677 CB LYS A 45 5.743 -4.855 8.660 1.00 0.00 C ATOM 678 CG LYS A 45 6.610 -5.465 7.571 1.00 0.00 C ATOM 679 CD LYS A 45 7.616 -6.448 8.147 1.00 0.00 C ATOM 680 CE LYS A 45 8.397 -7.152 7.050 1.00 0.00 C ATOM 681 NZ LYS A 45 9.283 -8.208 7.601 1.00 0.00 N ATOM 0 H LYS A 45 4.197 -5.624 6.884 1.00 0.00 H new ATOM 0 HA LYS A 45 3.953 -3.709 8.964 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.371 -4.249 9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.327 -5.656 9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.978 -5.974 6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.137 -4.674 7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.306 -5.920 8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.096 -7.187 8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.703 -7.595 6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.995 -6.423 6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.800 -8.667 6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.961 -7.781 8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.709 -8.917 8.101 1.00 0.00 H new ATOM 695 N ARG A 46 5.169 -1.651 8.316 1.00 0.00 N ATOM 696 CA ARG A 46 5.603 -0.334 7.873 1.00 0.00 C ATOM 697 C ARG A 46 7.122 -0.218 7.890 1.00 0.00 C ATOM 698 O ARG A 46 7.769 -0.575 8.877 1.00 0.00 O ATOM 699 CB ARG A 46 4.969 0.743 8.764 1.00 0.00 C ATOM 700 CG ARG A 46 5.035 0.420 10.252 1.00 0.00 C ATOM 701 CD ARG A 46 4.117 1.320 11.066 1.00 0.00 C ATOM 702 NE ARG A 46 4.602 2.696 11.148 1.00 0.00 N ATOM 703 CZ ARG A 46 3.822 3.746 11.406 1.00 0.00 C ATOM 704 NH1 ARG A 46 2.511 3.582 11.550 1.00 0.00 N ATOM 705 NH2 ARG A 46 4.351 4.957 11.522 1.00 0.00 N ATOM 0 H ARG A 46 4.894 -1.688 9.298 1.00 0.00 H new ATOM 0 HA ARG A 46 5.275 -0.188 6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.472 1.693 8.584 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.926 0.874 8.475 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.757 -0.622 10.411 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.061 0.533 10.604 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.122 1.316 10.620 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.017 0.914 12.073 1.00 0.00 H new ATOM 0 HE ARG A 46 5.597 2.863 10.999 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.101 2.652 11.463 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.915 4.386 11.747 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.357 5.087 11.414 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.752 5.759 11.719 1.00 0.00 H new ATOM 719 N ARG A 47 7.685 0.266 6.791 1.00 0.00 N ATOM 720 CA ARG A 47 9.122 0.480 6.696 1.00 0.00 C ATOM 721 C ARG A 47 9.434 1.478 5.588 1.00 0.00 C ATOM 722 O ARG A 47 8.555 1.843 4.803 1.00 0.00 O ATOM 723 CB ARG A 47 9.867 -0.841 6.449 1.00 0.00 C ATOM 724 CG ARG A 47 9.604 -1.463 5.085 1.00 0.00 C ATOM 725 CD ARG A 47 10.476 -2.691 4.859 1.00 0.00 C ATOM 726 NE ARG A 47 11.899 -2.386 5.016 1.00 0.00 N ATOM 727 CZ ARG A 47 12.887 -3.036 4.400 1.00 0.00 C ATOM 728 NH1 ARG A 47 12.621 -4.052 3.588 1.00 0.00 N ATOM 729 NH2 ARG A 47 14.144 -2.671 4.615 1.00 0.00 N ATOM 0 H ARG A 47 7.166 0.519 5.950 1.00 0.00 H new ATOM 0 HA ARG A 47 9.466 0.886 7.647 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.938 -0.666 6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.582 -1.555 7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.553 -1.741 5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.798 -0.728 4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.192 -3.473 5.564 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.297 -3.084 3.858 1.00 0.00 H new ATOM 0 HE ARG A 47 12.153 -1.621 5.641 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.655 -4.341 3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.382 -4.544 3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.349 -1.898 5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.905 -3.163 4.147 1.00 0.00 H new ATOM 743 N ARG A 48 10.684 1.915 5.535 1.00 0.00 N ATOM 744 CA ARG A 48 11.123 2.879 4.534 1.00 0.00 C ATOM 745 C ARG A 48 11.634 2.173 3.280 1.00 0.00 C ATOM 746 O ARG A 48 12.405 1.215 3.364 1.00 0.00 O ATOM 747 CB ARG A 48 12.217 3.782 5.114 1.00 0.00 C ATOM 748 CG ARG A 48 13.390 3.015 5.710 1.00 0.00 C ATOM 749 CD ARG A 48 14.401 3.942 6.362 1.00 0.00 C ATOM 750 NE ARG A 48 15.463 3.192 7.026 1.00 0.00 N ATOM 751 CZ ARG A 48 16.451 3.748 7.718 1.00 0.00 C ATOM 752 NH1 ARG A 48 16.526 5.069 7.844 1.00 0.00 N ATOM 753 NH2 ARG A 48 17.358 2.971 8.288 1.00 0.00 N ATOM 0 H ARG A 48 11.417 1.615 6.178 1.00 0.00 H new ATOM 0 HA ARG A 48 10.266 3.492 4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.587 4.441 4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.781 4.418 5.884 1.00 0.00 H new ATOM 0 HG2 ARG A 48 13.021 2.304 6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 48 13.880 2.436 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.834 4.598 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.896 4.580 7.087 1.00 0.00 H new ATOM 0 HE ARG A 48 15.445 2.175 6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 48 15.822 5.664 7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 48 17.288 5.488 8.377 1.00 0.00 H new ATOM 0 HH21 ARG A 48 17.293 1.957 8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 48 18.122 3.386 8.822 1.00 0.00 H new ATOM 767 N VAL A 49 11.185 2.643 2.120 1.00 0.00 N ATOM 768 CA VAL A 49 11.603 2.089 0.836 1.00 0.00 C ATOM 769 C VAL A 49 11.889 3.230 -0.143 1.00 0.00 C ATOM 770 O VAL A 49 11.251 4.279 -0.080 1.00 0.00 O ATOM 771 CB VAL A 49 10.523 1.152 0.234 1.00 0.00 C ATOM 772 CG1 VAL A 49 11.023 0.501 -1.050 1.00 0.00 C ATOM 773 CG2 VAL A 49 10.099 0.090 1.238 1.00 0.00 C ATOM 0 H VAL A 49 10.524 3.416 2.043 1.00 0.00 H new ATOM 0 HA VAL A 49 12.504 1.499 1.004 1.00 0.00 H new ATOM 0 HB VAL A 49 9.651 1.761 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.248 -0.151 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.263 1.274 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.916 -0.086 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.341 -0.553 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.964 -0.511 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.688 0.572 2.125 1.00 0.00 H new ATOM 783 N ASN A 50 12.846 3.027 -1.040 1.00 0.00 N ATOM 784 CA ASN A 50 13.235 4.063 -1.997 1.00 0.00 C ATOM 785 C ASN A 50 12.566 3.852 -3.349 1.00 0.00 C ATOM 786 O ASN A 50 13.060 4.318 -4.373 1.00 0.00 O ATOM 787 CB ASN A 50 14.757 4.089 -2.178 1.00 0.00 C ATOM 788 CG ASN A 50 15.298 2.808 -2.797 1.00 0.00 C ATOM 789 OD1 ASN A 50 14.770 1.719 -2.568 1.00 0.00 O ATOM 790 ND2 ASN A 50 16.344 2.936 -3.602 1.00 0.00 N ATOM 0 H ASN A 50 13.369 2.156 -1.127 1.00 0.00 H new ATOM 0 HA ASN A 50 12.903 5.019 -1.592 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.029 4.935 -2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.231 4.248 -1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.740 2.114 -4.058 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.752 3.856 -3.765 1.00 0.00 H new ATOM 797 N ILE A 51 11.425 3.170 -3.332 1.00 0.00 N ATOM 798 CA ILE A 51 10.664 2.873 -4.552 1.00 0.00 C ATOM 799 C ILE A 51 11.510 2.034 -5.524 1.00 0.00 C ATOM 800 O ILE A 51 11.308 2.048 -6.736 1.00 0.00 O ATOM 801 CB ILE A 51 10.197 4.185 -5.219 1.00 0.00 C ATOM 802 CG1 ILE A 51 9.549 5.100 -4.177 1.00 0.00 C ATOM 803 CG2 ILE A 51 9.211 3.917 -6.357 1.00 0.00 C ATOM 804 CD1 ILE A 51 8.230 4.585 -3.640 1.00 0.00 C ATOM 0 H ILE A 51 10.999 2.807 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 51 9.783 2.290 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 51 11.074 4.675 -5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.241 5.233 -3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.390 6.083 -4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.904 4.863 -6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.690 3.297 -7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.335 3.399 -5.965 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.835 5.289 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.520 4.479 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.384 3.616 -3.165 1.00 0.00 H new ATOM 816 N LEU A 52 12.437 1.282 -4.945 1.00 0.00 N ATOM 817 CA LEU A 52 13.371 0.421 -5.689 1.00 0.00 C ATOM 818 C LEU A 52 12.690 -0.345 -6.827 1.00 0.00 C ATOM 819 O LEU A 52 13.208 -0.405 -7.944 1.00 0.00 O ATOM 820 CB LEU A 52 14.030 -0.575 -4.731 1.00 0.00 C ATOM 821 CG LEU A 52 15.036 -1.535 -5.371 1.00 0.00 C ATOM 822 CD1 LEU A 52 16.246 -0.778 -5.896 1.00 0.00 C ATOM 823 CD2 LEU A 52 15.461 -2.602 -4.372 1.00 0.00 C ATOM 0 H LEU A 52 12.570 1.246 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 52 14.120 1.074 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.537 -0.016 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.248 -1.163 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 52 14.552 -2.026 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.947 -1.480 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 52 15.925 -0.054 -6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.734 -0.256 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 52 16.176 -3.277 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.925 -2.127 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.587 -3.168 -4.050 1.00 0.00 H new ATOM 835 N HIS A 53 11.539 -0.939 -6.539 1.00 0.00 N ATOM 836 CA HIS A 53 10.803 -1.689 -7.546 1.00 0.00 C ATOM 837 C HIS A 53 9.303 -1.584 -7.298 1.00 0.00 C ATOM 838 O HIS A 53 8.572 -2.572 -7.377 1.00 0.00 O ATOM 839 CB HIS A 53 11.244 -3.158 -7.557 1.00 0.00 C ATOM 840 CG HIS A 53 12.029 -3.529 -8.779 1.00 0.00 C ATOM 841 ND1 HIS A 53 13.300 -4.058 -8.733 1.00 0.00 N ATOM 842 CD2 HIS A 53 11.705 -3.456 -10.093 1.00 0.00 C ATOM 843 CE1 HIS A 53 13.724 -4.285 -9.962 1.00 0.00 C ATOM 844 NE2 HIS A 53 12.775 -3.932 -10.806 1.00 0.00 N ATOM 0 H HIS A 53 11.097 -0.916 -5.620 1.00 0.00 H new ATOM 0 HA HIS A 53 11.023 -1.258 -8.523 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.847 -3.356 -6.671 1.00 0.00 H new ATOM 0 HB3 HIS A 53 10.363 -3.796 -7.492 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.775 -3.090 -10.503 1.00 0.00 H new ATOM 0 HE1 HIS A 53 14.687 -4.692 -10.231 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.828 -4.002 -11.822 1.00 0.00 H new ATOM 853 N LEU A 54 8.857 -0.369 -7.012 1.00 0.00 N ATOM 854 CA LEU A 54 7.444 -0.100 -6.770 1.00 0.00 C ATOM 855 C LEU A 54 6.869 0.706 -7.927 1.00 0.00 C ATOM 856 O LEU A 54 7.614 1.342 -8.675 1.00 0.00 O ATOM 857 CB LEU A 54 7.239 0.669 -5.451 1.00 0.00 C ATOM 858 CG LEU A 54 7.497 -0.117 -4.151 1.00 0.00 C ATOM 859 CD1 LEU A 54 6.689 -1.405 -4.127 1.00 0.00 C ATOM 860 CD2 LEU A 54 8.977 -0.410 -3.963 1.00 0.00 C ATOM 0 H LEU A 54 9.457 0.453 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 54 6.925 -1.056 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.894 1.540 -5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.214 1.040 -5.428 1.00 0.00 H new ATOM 0 HG LEU A 54 7.173 0.508 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.888 -1.942 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.627 -1.169 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.972 -2.028 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.123 -0.965 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.340 -1.003 -4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.530 0.528 -3.915 1.00 0.00 H new ATOM 872 N GLU A 55 5.555 0.677 -8.086 1.00 0.00 N ATOM 873 CA GLU A 55 4.906 1.440 -9.142 1.00 0.00 C ATOM 874 C GLU A 55 3.483 1.813 -8.738 1.00 0.00 C ATOM 875 O GLU A 55 2.727 0.968 -8.261 1.00 0.00 O ATOM 876 CB GLU A 55 4.899 0.641 -10.450 1.00 0.00 C ATOM 877 CG GLU A 55 4.440 1.440 -11.658 1.00 0.00 C ATOM 878 CD GLU A 55 4.636 0.691 -12.962 1.00 0.00 C ATOM 879 OE1 GLU A 55 5.771 0.686 -13.485 1.00 0.00 O ATOM 880 OE2 GLU A 55 3.655 0.116 -13.477 1.00 0.00 O ATOM 0 H GLU A 55 4.919 0.136 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 55 5.470 2.359 -9.299 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.904 0.262 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.248 -0.225 -10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.386 1.692 -11.543 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.990 2.380 -11.697 1.00 0.00 H new ATOM 887 N PRO A 56 3.116 3.096 -8.888 1.00 0.00 N ATOM 888 CA PRO A 56 1.756 3.570 -8.614 1.00 0.00 C ATOM 889 C PRO A 56 0.748 3.000 -9.608 1.00 0.00 C ATOM 890 O PRO A 56 0.895 3.164 -10.823 1.00 0.00 O ATOM 891 CB PRO A 56 1.864 5.091 -8.765 1.00 0.00 C ATOM 892 CG PRO A 56 3.048 5.306 -9.644 1.00 0.00 C ATOM 893 CD PRO A 56 4.002 4.186 -9.334 1.00 0.00 C ATOM 0 HA PRO A 56 1.402 3.260 -7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.961 5.509 -9.210 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.997 5.576 -7.798 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.761 5.294 -10.695 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.507 6.275 -9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.583 3.899 -10.211 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.714 4.468 -8.558 1.00 0.00 H new ATOM 901 N THR A 57 -0.268 2.328 -9.092 1.00 0.00 N ATOM 902 CA THR A 57 -1.248 1.669 -9.940 1.00 0.00 C ATOM 903 C THR A 57 -2.671 1.935 -9.468 1.00 0.00 C ATOM 904 O THR A 57 -2.920 2.047 -8.266 1.00 0.00 O ATOM 905 CB THR A 57 -1.004 0.149 -9.971 1.00 0.00 C ATOM 906 OG1 THR A 57 -0.793 -0.336 -8.638 1.00 0.00 O ATOM 907 CG2 THR A 57 0.192 -0.199 -10.843 1.00 0.00 C ATOM 0 H THR A 57 -0.436 2.224 -8.091 1.00 0.00 H new ATOM 0 HA THR A 57 -1.131 2.081 -10.942 1.00 0.00 H new ATOM 0 HB THR A 57 -1.885 -0.329 -10.399 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.957 -1.302 -8.612 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.339 -1.279 -10.845 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.012 0.145 -11.862 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.084 0.288 -10.448 1.00 0.00 H new ATOM 915 N ASP A 58 -3.582 2.068 -10.435 1.00 0.00 N ATOM 916 CA ASP A 58 -5.021 2.173 -10.171 1.00 0.00 C ATOM 917 C ASP A 58 -5.336 3.440 -9.370 1.00 0.00 C ATOM 918 O ASP A 58 -4.563 4.405 -9.380 1.00 0.00 O ATOM 919 CB ASP A 58 -5.522 0.916 -9.433 1.00 0.00 C ATOM 920 CG ASP A 58 -6.996 0.618 -9.681 1.00 0.00 C ATOM 921 OD1 ASP A 58 -7.858 1.241 -9.026 1.00 0.00 O ATOM 922 OD2 ASP A 58 -7.302 -0.251 -10.531 1.00 0.00 O ATOM 0 H ASP A 58 -3.343 2.106 -11.426 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.544 2.243 -11.125 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.927 0.058 -9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.359 1.043 -8.363 1.00 0.00 H new ATOM 927 N LYS A 59 -6.473 3.438 -8.694 1.00 0.00 N ATOM 928 CA LYS A 59 -6.934 4.592 -7.946 1.00 0.00 C ATOM 929 C LYS A 59 -6.201 4.707 -6.614 1.00 0.00 C ATOM 930 O LYS A 59 -5.819 3.705 -6.011 1.00 0.00 O ATOM 931 CB LYS A 59 -8.443 4.481 -7.709 1.00 0.00 C ATOM 932 CG LYS A 59 -9.250 4.356 -8.995 1.00 0.00 C ATOM 933 CD LYS A 59 -10.725 4.088 -8.718 1.00 0.00 C ATOM 934 CE LYS A 59 -10.943 2.752 -8.017 1.00 0.00 C ATOM 935 NZ LYS A 59 -10.445 1.608 -8.829 1.00 0.00 N ATOM 0 H LYS A 59 -7.101 2.636 -8.649 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.723 5.490 -8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.641 3.614 -7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.783 5.359 -7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.151 5.273 -9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.842 3.548 -9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.129 4.891 -8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.278 4.098 -9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.434 2.761 -7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.006 2.618 -7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.992 0.754 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.554 1.826 -9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.440 1.443 -8.617 1.00 0.00 H new ATOM 949 N LYS A 60 -6.008 5.936 -6.163 1.00 0.00 N ATOM 950 CA LYS A 60 -5.315 6.196 -4.917 1.00 0.00 C ATOM 951 C LYS A 60 -6.247 6.895 -3.936 1.00 0.00 C ATOM 952 O LYS A 60 -7.232 7.515 -4.344 1.00 0.00 O ATOM 953 CB LYS A 60 -4.064 7.041 -5.193 1.00 0.00 C ATOM 954 CG LYS A 60 -4.340 8.390 -5.847 1.00 0.00 C ATOM 955 CD LYS A 60 -4.573 9.484 -4.814 1.00 0.00 C ATOM 956 CE LYS A 60 -3.358 9.644 -3.915 1.00 0.00 C ATOM 957 NZ LYS A 60 -3.544 10.694 -2.884 1.00 0.00 N ATOM 0 H LYS A 60 -6.326 6.775 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.003 5.253 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.540 7.209 -4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.392 6.472 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.498 8.664 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.214 8.308 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.785 10.427 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.448 9.241 -4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.145 8.694 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.489 9.890 -4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.615 11.013 -2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.057 11.499 -3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.091 10.307 -2.089 1.00 0.00 H new ATOM 971 N ILE A 61 -5.948 6.791 -2.651 1.00 0.00 N ATOM 972 CA ILE A 61 -6.750 7.454 -1.635 1.00 0.00 C ATOM 973 C ILE A 61 -6.258 8.881 -1.417 1.00 0.00 C ATOM 974 O ILE A 61 -5.076 9.115 -1.154 1.00 0.00 O ATOM 975 CB ILE A 61 -6.761 6.676 -0.296 1.00 0.00 C ATOM 976 CG1 ILE A 61 -5.335 6.360 0.175 1.00 0.00 C ATOM 977 CG2 ILE A 61 -7.572 5.397 -0.434 1.00 0.00 C ATOM 978 CD1 ILE A 61 -5.280 5.651 1.514 1.00 0.00 C ATOM 0 H ILE A 61 -5.159 6.256 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.776 7.481 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.229 7.309 0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.843 5.741 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.769 7.289 0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.571 4.861 0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.597 5.644 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.130 4.768 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.241 5.460 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.743 6.277 2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.817 4.705 1.447 1.00 0.00 H new ATOM 990 N ASP A 62 -7.155 9.841 -1.567 1.00 0.00 N ATOM 991 CA ASP A 62 -6.788 11.246 -1.450 1.00 0.00 C ATOM 992 C ASP A 62 -6.795 11.676 0.011 1.00 0.00 C ATOM 993 O ASP A 62 -7.825 12.081 0.548 1.00 0.00 O ATOM 994 CB ASP A 62 -7.740 12.115 -2.276 1.00 0.00 C ATOM 995 CG ASP A 62 -7.202 13.511 -2.512 1.00 0.00 C ATOM 996 OD1 ASP A 62 -6.332 13.666 -3.400 1.00 0.00 O ATOM 997 OD2 ASP A 62 -7.645 14.452 -1.827 1.00 0.00 O ATOM 0 H ASP A 62 -8.141 9.676 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.779 11.378 -1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.923 11.634 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.700 12.182 -1.765 1.00 0.00 H new ATOM 1002 N ILE A 63 -5.646 11.541 0.658 1.00 0.00 N ATOM 1003 CA ILE A 63 -5.520 11.853 2.075 1.00 0.00 C ATOM 1004 C ILE A 63 -4.370 12.822 2.316 1.00 0.00 C ATOM 1005 O ILE A 63 -3.612 13.146 1.398 1.00 0.00 O ATOM 1006 CB ILE A 63 -5.286 10.584 2.924 1.00 0.00 C ATOM 1007 CG1 ILE A 63 -4.039 9.838 2.434 1.00 0.00 C ATOM 1008 CG2 ILE A 63 -6.507 9.678 2.888 1.00 0.00 C ATOM 1009 CD1 ILE A 63 -3.680 8.631 3.275 1.00 0.00 C ATOM 0 H ILE A 63 -4.783 11.216 0.222 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.461 12.311 2.379 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.122 10.886 3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.200 9.517 1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.195 10.527 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.320 8.791 3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.369 10.213 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.709 9.380 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.788 8.156 2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.486 8.946 4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.507 7.921 3.264 1.00 0.00 H new ATOM 1021 N GLN A 64 -4.241 13.273 3.551 1.00 0.00 N ATOM 1022 CA GLN A 64 -3.158 14.162 3.940 1.00 0.00 C ATOM 1023 C GLN A 64 -2.054 13.358 4.619 1.00 0.00 C ATOM 1024 O GLN A 64 -2.321 12.294 5.180 1.00 0.00 O ATOM 1025 CB GLN A 64 -3.693 15.246 4.881 1.00 0.00 C ATOM 1026 CG GLN A 64 -4.220 14.701 6.204 1.00 0.00 C ATOM 1027 CD GLN A 64 -5.137 15.673 6.925 1.00 0.00 C ATOM 1028 OE1 GLN A 64 -6.022 15.261 7.680 1.00 0.00 O ATOM 1029 NE2 GLN A 64 -4.948 16.964 6.690 1.00 0.00 N ATOM 0 H GLN A 64 -4.880 13.036 4.310 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.744 14.644 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.898 15.963 5.084 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.492 15.790 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.759 13.772 6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.378 14.457 6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.205 17.264 6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.546 17.657 7.140 1.00 0.00 H new ATOM 1038 N LYS A 65 -0.817 13.849 4.566 1.00 0.00 N ATOM 1039 CA LYS A 65 0.292 13.144 5.195 1.00 0.00 C ATOM 1040 C LYS A 65 0.149 13.206 6.711 1.00 0.00 C ATOM 1041 O LYS A 65 0.196 14.286 7.303 1.00 0.00 O ATOM 1042 CB LYS A 65 1.648 13.720 4.764 1.00 0.00 C ATOM 1043 CG LYS A 65 2.828 12.912 5.288 1.00 0.00 C ATOM 1044 CD LYS A 65 4.166 13.438 4.789 1.00 0.00 C ATOM 1045 CE LYS A 65 4.499 14.805 5.366 1.00 0.00 C ATOM 1046 NZ LYS A 65 5.911 15.187 5.092 1.00 0.00 N ATOM 0 H LYS A 65 -0.562 14.720 4.100 1.00 0.00 H new ATOM 0 HA LYS A 65 0.259 12.104 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.693 13.755 3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.731 14.747 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.819 12.928 6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.715 11.871 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.953 12.732 5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.147 13.500 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.830 15.553 4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.326 14.798 6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.102 16.124 5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.549 14.486 5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.069 15.218 4.065 1.00 0.00 H new ATOM 1060 N GLY A 66 -0.042 12.047 7.323 1.00 0.00 N ATOM 1061 CA GLY A 66 -0.272 11.986 8.753 1.00 0.00 C ATOM 1062 C GLY A 66 -1.614 11.361 9.074 1.00 0.00 C ATOM 1063 O GLY A 66 -2.282 11.748 10.037 1.00 0.00 O ATOM 0 H GLY A 66 -0.042 11.142 6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.522 11.408 9.226 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.228 12.991 9.173 1.00 0.00 H new ATOM 1067 N ALA A 67 -2.017 10.404 8.251 1.00 0.00 N ATOM 1068 CA ALA A 67 -3.275 9.706 8.445 1.00 0.00 C ATOM 1069 C ALA A 67 -3.096 8.534 9.402 1.00 0.00 C ATOM 1070 O ALA A 67 -2.022 7.939 9.473 1.00 0.00 O ATOM 1071 CB ALA A 67 -3.828 9.224 7.113 1.00 0.00 C ATOM 0 H ALA A 67 -1.485 10.093 7.438 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.989 10.403 8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.771 8.703 7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.995 10.079 6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.114 8.544 6.647 1.00 0.00 H new ATOM 1077 N SER A 68 -4.148 8.213 10.136 1.00 0.00 N ATOM 1078 CA SER A 68 -4.098 7.129 11.105 1.00 0.00 C ATOM 1079 C SER A 68 -4.634 5.833 10.495 1.00 0.00 C ATOM 1080 O SER A 68 -5.379 5.866 9.515 1.00 0.00 O ATOM 1081 CB SER A 68 -4.908 7.503 12.348 1.00 0.00 C ATOM 1082 OG SER A 68 -4.470 8.739 12.889 1.00 0.00 O ATOM 0 H SER A 68 -5.049 8.688 10.080 1.00 0.00 H new ATOM 0 HA SER A 68 -3.059 6.967 11.392 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.965 7.569 12.091 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.811 6.719 13.099 1.00 0.00 H new ATOM 0 HG SER A 68 -5.004 8.957 13.681 1.00 0.00 H new ATOM 1088 N ASP A 69 -4.256 4.700 11.086 1.00 0.00 N ATOM 1089 CA ASP A 69 -4.686 3.383 10.601 1.00 0.00 C ATOM 1090 C ASP A 69 -6.210 3.275 10.598 1.00 0.00 C ATOM 1091 O ASP A 69 -6.809 2.711 9.675 1.00 0.00 O ATOM 1092 CB ASP A 69 -4.071 2.274 11.466 1.00 0.00 C ATOM 1093 CG ASP A 69 -4.675 0.907 11.203 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -4.260 0.232 10.236 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -5.571 0.499 11.973 1.00 0.00 O ATOM 0 H ASP A 69 -3.650 4.665 11.906 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.337 3.263 9.575 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.998 2.231 11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.204 2.527 12.518 1.00 0.00 H new ATOM 1100 N GLU A 70 -6.837 3.825 11.632 1.00 0.00 N ATOM 1101 CA GLU A 70 -8.289 3.875 11.706 1.00 0.00 C ATOM 1102 C GLU A 70 -8.836 4.723 10.572 1.00 0.00 C ATOM 1103 O GLU A 70 -9.703 4.291 9.819 1.00 0.00 O ATOM 1104 CB GLU A 70 -8.735 4.473 13.040 1.00 0.00 C ATOM 1105 CG GLU A 70 -10.240 4.452 13.243 1.00 0.00 C ATOM 1106 CD GLU A 70 -10.665 5.146 14.521 1.00 0.00 C ATOM 1107 OE1 GLU A 70 -10.694 6.393 14.541 1.00 0.00 O ATOM 1108 OE2 GLU A 70 -10.984 4.446 15.508 1.00 0.00 O ATOM 0 H GLU A 70 -6.360 4.243 12.431 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.673 2.858 11.623 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.260 3.923 13.852 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.383 5.503 13.103 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.724 4.934 12.394 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.586 3.419 13.263 1.00 0.00 H new ATOM 1115 N GLU A 71 -8.290 5.923 10.461 1.00 0.00 N ATOM 1116 CA GLU A 71 -8.718 6.896 9.461 1.00 0.00 C ATOM 1117 C GLU A 71 -8.628 6.324 8.045 1.00 0.00 C ATOM 1118 O GLU A 71 -9.572 6.443 7.265 1.00 0.00 O ATOM 1119 CB GLU A 71 -7.873 8.163 9.585 1.00 0.00 C ATOM 1120 CG GLU A 71 -8.236 9.253 8.589 1.00 0.00 C ATOM 1121 CD GLU A 71 -7.410 10.508 8.785 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -6.243 10.395 9.211 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -7.924 11.617 8.511 1.00 0.00 O ATOM 0 H GLU A 71 -7.535 6.254 11.062 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.764 7.140 9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.978 8.559 10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.823 7.901 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.090 8.879 7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.294 9.497 8.690 1.00 0.00 H new ATOM 1130 N VAL A 72 -7.506 5.687 7.725 1.00 0.00 N ATOM 1131 CA VAL A 72 -7.315 5.088 6.408 1.00 0.00 C ATOM 1132 C VAL A 72 -8.380 4.028 6.128 1.00 0.00 C ATOM 1133 O VAL A 72 -9.010 4.035 5.069 1.00 0.00 O ATOM 1134 CB VAL A 72 -5.910 4.460 6.263 1.00 0.00 C ATOM 1135 CG1 VAL A 72 -5.765 3.752 4.923 1.00 0.00 C ATOM 1136 CG2 VAL A 72 -4.829 5.521 6.420 1.00 0.00 C ATOM 0 H VAL A 72 -6.715 5.572 8.359 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.410 5.892 5.678 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.790 3.721 7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.768 3.319 4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.511 2.961 4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.912 4.469 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.847 5.059 6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.955 6.285 5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.910 5.980 7.405 1.00 0.00 H new ATOM 1146 N LYS A 73 -8.601 3.134 7.083 1.00 0.00 N ATOM 1147 CA LYS A 73 -9.591 2.082 6.915 1.00 0.00 C ATOM 1148 C LYS A 73 -11.007 2.651 6.943 1.00 0.00 C ATOM 1149 O LYS A 73 -11.925 2.086 6.352 1.00 0.00 O ATOM 1150 CB LYS A 73 -9.409 1.013 7.986 1.00 0.00 C ATOM 1151 CG LYS A 73 -8.254 0.068 7.688 1.00 0.00 C ATOM 1152 CD LYS A 73 -8.179 -1.082 8.680 1.00 0.00 C ATOM 1153 CE LYS A 73 -7.371 -0.726 9.917 1.00 0.00 C ATOM 1154 NZ LYS A 73 -8.067 0.236 10.808 1.00 0.00 N ATOM 0 H LYS A 73 -8.110 3.117 7.977 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.442 1.621 5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.238 1.495 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.330 0.436 8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.365 -0.331 6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.317 0.625 7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.188 -1.368 8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.732 -1.949 8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.152 -1.636 10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.415 -0.302 9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.690 0.151 11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.914 1.204 10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.086 0.028 10.815 1.00 0.00 H new ATOM 1168 N LYS A 74 -11.171 3.775 7.629 1.00 0.00 N ATOM 1169 CA LYS A 74 -12.439 4.490 7.655 1.00 0.00 C ATOM 1170 C LYS A 74 -12.771 4.978 6.250 1.00 0.00 C ATOM 1171 O LYS A 74 -13.910 4.881 5.786 1.00 0.00 O ATOM 1172 CB LYS A 74 -12.341 5.672 8.624 1.00 0.00 C ATOM 1173 CG LYS A 74 -13.676 6.228 9.075 1.00 0.00 C ATOM 1174 CD LYS A 74 -13.478 7.308 10.128 1.00 0.00 C ATOM 1175 CE LYS A 74 -14.792 7.727 10.768 1.00 0.00 C ATOM 1176 NZ LYS A 74 -14.586 8.689 11.887 1.00 0.00 N ATOM 0 H LYS A 74 -10.433 4.214 8.180 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.233 3.825 7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.777 5.359 9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.772 6.470 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.212 6.640 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.292 5.425 9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.799 6.943 10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.004 8.177 9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.434 8.181 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.312 6.844 11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.507 8.949 12.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.994 8.248 12.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.113 9.543 11.528 1.00 0.00 H new ATOM 1190 N LYS A 75 -11.745 5.486 5.570 1.00 0.00 N ATOM 1191 CA LYS A 75 -11.871 5.920 4.185 1.00 0.00 C ATOM 1192 C LYS A 75 -12.125 4.725 3.274 1.00 0.00 C ATOM 1193 O LYS A 75 -12.951 4.793 2.366 1.00 0.00 O ATOM 1194 CB LYS A 75 -10.611 6.668 3.731 1.00 0.00 C ATOM 1195 CG LYS A 75 -10.286 7.926 4.538 1.00 0.00 C ATOM 1196 CD LYS A 75 -11.359 9.009 4.416 1.00 0.00 C ATOM 1197 CE LYS A 75 -12.573 8.706 5.276 1.00 0.00 C ATOM 1198 NZ LYS A 75 -13.593 9.782 5.219 1.00 0.00 N ATOM 0 H LYS A 75 -10.811 5.607 5.962 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.720 6.601 4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.761 5.988 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.728 6.946 2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.167 7.657 5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.331 8.329 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.938 9.971 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.666 9.099 3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.021 7.768 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.256 8.565 6.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.523 9.393 5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.338 10.538 5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.635 10.170 4.255 1.00 0.00 H new ATOM 1212 N LEU A 76 -11.423 3.627 3.535 1.00 0.00 N ATOM 1213 CA LEU A 76 -11.575 2.409 2.754 1.00 0.00 C ATOM 1214 C LEU A 76 -12.976 1.817 2.910 1.00 0.00 C ATOM 1215 O LEU A 76 -13.468 1.135 2.011 1.00 0.00 O ATOM 1216 CB LEU A 76 -10.523 1.384 3.176 1.00 0.00 C ATOM 1217 CG LEU A 76 -9.077 1.761 2.852 1.00 0.00 C ATOM 1218 CD1 LEU A 76 -8.122 0.690 3.354 1.00 0.00 C ATOM 1219 CD2 LEU A 76 -8.901 1.970 1.356 1.00 0.00 C ATOM 0 H LEU A 76 -10.738 3.558 4.288 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.433 2.662 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.607 1.223 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -10.751 0.434 2.692 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.845 2.697 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.097 0.975 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.227 0.586 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.356 -0.260 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.866 2.238 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.153 1.050 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.558 2.772 1.021 1.00 0.00 H new ATOM 1231 N GLU A 77 -13.609 2.078 4.049 1.00 0.00 N ATOM 1232 CA GLU A 77 -14.972 1.620 4.298 1.00 0.00 C ATOM 1233 C GLU A 77 -15.937 2.412 3.422 1.00 0.00 C ATOM 1234 O GLU A 77 -16.740 1.838 2.687 1.00 0.00 O ATOM 1235 CB GLU A 77 -15.325 1.788 5.785 1.00 0.00 C ATOM 1236 CG GLU A 77 -16.277 0.730 6.339 1.00 0.00 C ATOM 1237 CD GLU A 77 -17.698 0.840 5.813 1.00 0.00 C ATOM 1238 OE1 GLU A 77 -18.449 1.716 6.292 1.00 0.00 O ATOM 1239 OE2 GLU A 77 -18.082 0.025 4.949 1.00 0.00 O ATOM 0 H GLU A 77 -13.198 2.607 4.818 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.052 0.562 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.404 1.769 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.773 2.771 5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.886 -0.258 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.296 0.807 7.426 1.00 0.00 H new ATOM 1246 N GLU A 78 -15.815 3.736 3.472 1.00 0.00 N ATOM 1247 CA GLU A 78 -16.669 4.623 2.684 1.00 0.00 C ATOM 1248 C GLU A 78 -16.476 4.394 1.187 1.00 0.00 C ATOM 1249 O GLU A 78 -17.424 4.480 0.405 1.00 0.00 O ATOM 1250 CB GLU A 78 -16.375 6.086 3.021 1.00 0.00 C ATOM 1251 CG GLU A 78 -16.751 6.483 4.440 1.00 0.00 C ATOM 1252 CD GLU A 78 -16.511 7.953 4.708 1.00 0.00 C ATOM 1253 OE1 GLU A 78 -17.059 8.795 3.963 1.00 0.00 O ATOM 1254 OE2 GLU A 78 -15.759 8.280 5.650 1.00 0.00 O ATOM 0 H GLU A 78 -15.130 4.221 4.052 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.704 4.394 2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.312 6.276 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.914 6.724 2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.802 6.251 4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.173 5.888 5.147 1.00 0.00 H new ATOM 1261 N SER A 79 -15.244 4.106 0.792 1.00 0.00 N ATOM 1262 CA SER A 79 -14.925 3.868 -0.608 1.00 0.00 C ATOM 1263 C SER A 79 -15.218 2.419 -1.005 1.00 0.00 C ATOM 1264 O SER A 79 -15.289 2.100 -2.193 1.00 0.00 O ATOM 1265 CB SER A 79 -13.451 4.202 -0.871 1.00 0.00 C ATOM 1266 OG SER A 79 -13.101 3.988 -2.229 1.00 0.00 O ATOM 0 H SER A 79 -14.447 4.031 1.424 1.00 0.00 H new ATOM 0 HA SER A 79 -15.556 4.516 -1.217 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.260 5.242 -0.605 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.818 3.588 -0.230 1.00 0.00 H new ATOM 0 HG SER A 79 -12.156 4.212 -2.362 1.00 0.00 H new ATOM 1272 N ASN A 80 -15.367 1.549 -0.001 1.00 0.00 N ATOM 1273 CA ASN A 80 -15.656 0.124 -0.217 1.00 0.00 C ATOM 1274 C ASN A 80 -14.478 -0.571 -0.920 1.00 0.00 C ATOM 1275 O ASN A 80 -14.582 -1.711 -1.374 1.00 0.00 O ATOM 1276 CB ASN A 80 -16.949 -0.045 -1.034 1.00 0.00 C ATOM 1277 CG ASN A 80 -17.469 -1.473 -1.064 1.00 0.00 C ATOM 1278 OD1 ASN A 80 -17.410 -2.160 0.069 1.00 0.00 O flip ATOM 1279 ND2 ASN A 80 -17.962 -1.941 -2.091 1.00 0.00 N flip ATOM 0 H ASN A 80 -15.291 1.810 0.982 1.00 0.00 H new ATOM 0 HA ASN A 80 -15.797 -0.347 0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -17.719 0.604 -0.618 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.769 0.289 -2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -17.990 -1.382 -2.944 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -18.343 -2.887 -2.089 1.00 0.00 H new ATOM 1286 N LEU A 81 -13.337 0.109 -0.957 1.00 0.00 N ATOM 1287 CA LEU A 81 -12.174 -0.372 -1.701 1.00 0.00 C ATOM 1288 C LEU A 81 -11.331 -1.321 -0.845 1.00 0.00 C ATOM 1289 O LEU A 81 -10.280 -1.800 -1.276 1.00 0.00 O ATOM 1290 CB LEU A 81 -11.328 0.820 -2.165 1.00 0.00 C ATOM 1291 CG LEU A 81 -10.296 0.512 -3.253 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -10.990 0.120 -4.549 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -9.384 1.706 -3.477 1.00 0.00 C ATOM 0 H LEU A 81 -13.191 0.998 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.523 -0.926 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.998 1.597 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.807 1.232 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.686 -0.328 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.242 -0.096 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.602 -0.766 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.624 0.940 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.657 1.468 -4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.979 2.565 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.861 1.943 -2.551 1.00 0.00 H new ATOM 1305 N THR A 82 -11.815 -1.597 0.359 1.00 0.00 N ATOM 1306 CA THR A 82 -11.112 -2.456 1.305 1.00 0.00 C ATOM 1307 C THR A 82 -10.852 -3.849 0.725 1.00 0.00 C ATOM 1308 O THR A 82 -9.772 -4.412 0.905 1.00 0.00 O ATOM 1309 CB THR A 82 -11.908 -2.579 2.626 1.00 0.00 C ATOM 1310 OG1 THR A 82 -11.228 -3.440 3.543 1.00 0.00 O ATOM 1311 CG2 THR A 82 -13.321 -3.098 2.387 1.00 0.00 C ATOM 0 H THR A 82 -12.702 -1.234 0.707 1.00 0.00 H new ATOM 0 HA THR A 82 -10.148 -1.989 1.507 1.00 0.00 H new ATOM 0 HB THR A 82 -11.981 -1.579 3.054 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.744 -3.506 4.374 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.848 -3.170 3.338 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.854 -2.412 1.728 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.273 -4.083 1.923 1.00 0.00 H new ATOM 1319 N GLU A 83 -11.842 -4.383 0.025 1.00 0.00 N ATOM 1320 CA GLU A 83 -11.744 -5.715 -0.566 1.00 0.00 C ATOM 1321 C GLU A 83 -10.648 -5.750 -1.631 1.00 0.00 C ATOM 1322 O GLU A 83 -9.873 -6.703 -1.715 1.00 0.00 O ATOM 1323 CB GLU A 83 -13.086 -6.105 -1.185 1.00 0.00 C ATOM 1324 CG GLU A 83 -13.231 -7.592 -1.473 1.00 0.00 C ATOM 1325 CD GLU A 83 -13.246 -8.439 -0.212 1.00 0.00 C ATOM 1326 OE1 GLU A 83 -14.257 -8.403 0.523 1.00 0.00 O ATOM 1327 OE2 GLU A 83 -12.258 -9.161 0.033 1.00 0.00 O ATOM 0 H GLU A 83 -12.730 -3.912 -0.150 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.488 -6.428 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.887 -5.797 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.219 -5.552 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.153 -7.761 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.409 -7.915 -2.112 1.00 0.00 H new ATOM 1334 N TYR A 84 -10.591 -4.690 -2.432 1.00 0.00 N ATOM 1335 CA TYR A 84 -9.600 -4.577 -3.500 1.00 0.00 C ATOM 1336 C TYR A 84 -8.185 -4.560 -2.933 1.00 0.00 C ATOM 1337 O TYR A 84 -7.281 -5.205 -3.472 1.00 0.00 O ATOM 1338 CB TYR A 84 -9.851 -3.306 -4.324 1.00 0.00 C ATOM 1339 CG TYR A 84 -8.790 -3.026 -5.369 1.00 0.00 C ATOM 1340 CD1 TYR A 84 -8.817 -3.665 -6.603 1.00 0.00 C ATOM 1341 CD2 TYR A 84 -7.760 -2.126 -5.119 1.00 0.00 C ATOM 1342 CE1 TYR A 84 -7.847 -3.415 -7.555 1.00 0.00 C ATOM 1343 CE2 TYR A 84 -6.787 -1.874 -6.066 1.00 0.00 C ATOM 1344 CZ TYR A 84 -6.836 -2.521 -7.283 1.00 0.00 C ATOM 1345 OH TYR A 84 -5.869 -2.274 -8.227 1.00 0.00 O ATOM 0 H TYR A 84 -11.223 -3.892 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.699 -5.448 -4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.819 -3.392 -4.818 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.913 -2.454 -3.647 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.608 -4.367 -6.821 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.720 -1.615 -4.168 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.882 -3.919 -8.509 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.992 -1.174 -5.855 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.230 -1.618 -7.877 1.00 0.00 H new ATOM 1355 N MET A 85 -7.997 -3.818 -1.852 1.00 0.00 N ATOM 1356 CA MET A 85 -6.687 -3.698 -1.225 1.00 0.00 C ATOM 1357 C MET A 85 -6.296 -5.032 -0.600 1.00 0.00 C ATOM 1358 O MET A 85 -5.167 -5.499 -0.765 1.00 0.00 O ATOM 1359 CB MET A 85 -6.707 -2.588 -0.167 1.00 0.00 C ATOM 1360 CG MET A 85 -5.346 -1.951 0.104 1.00 0.00 C ATOM 1361 SD MET A 85 -4.163 -3.074 0.874 1.00 0.00 S ATOM 1362 CE MET A 85 -2.735 -2.001 1.018 1.00 0.00 C ATOM 0 H MET A 85 -8.736 -3.289 -1.389 1.00 0.00 H new ATOM 0 HA MET A 85 -5.947 -3.434 -1.981 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.401 -1.811 -0.486 1.00 0.00 H new ATOM 0 HB3 MET A 85 -7.095 -2.998 0.765 1.00 0.00 H new ATOM 0 HG2 MET A 85 -4.931 -1.588 -0.836 1.00 0.00 H new ATOM 0 HG3 MET A 85 -5.483 -1.083 0.749 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.878 -2.580 1.361 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.510 -1.562 0.046 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.947 -1.207 1.734 1.00 0.00 H new ATOM 1372 N LYS A 86 -7.258 -5.652 0.075 1.00 0.00 N ATOM 1373 CA LYS A 86 -7.052 -6.926 0.760 1.00 0.00 C ATOM 1374 C LYS A 86 -6.533 -8.014 -0.182 1.00 0.00 C ATOM 1375 O LYS A 86 -5.659 -8.798 0.197 1.00 0.00 O ATOM 1376 CB LYS A 86 -8.367 -7.400 1.383 1.00 0.00 C ATOM 1377 CG LYS A 86 -8.303 -8.813 1.939 1.00 0.00 C ATOM 1378 CD LYS A 86 -9.687 -9.417 2.086 1.00 0.00 C ATOM 1379 CE LYS A 86 -9.607 -10.898 2.418 1.00 0.00 C ATOM 1380 NZ LYS A 86 -10.946 -11.538 2.432 1.00 0.00 N ATOM 0 H LYS A 86 -8.206 -5.285 0.164 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.300 -6.757 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.647 -6.716 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.154 -7.350 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.701 -9.438 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.805 -8.801 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.233 -8.894 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.247 -9.278 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.973 -11.400 1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.134 -11.026 3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.846 -12.547 2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.544 -11.077 3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.388 -11.439 1.496 1.00 0.00 H new ATOM 1394 N GLU A 87 -7.093 -8.056 -1.395 1.00 0.00 N ATOM 1395 CA GLU A 87 -6.804 -9.119 -2.356 1.00 0.00 C ATOM 1396 C GLU A 87 -5.305 -9.359 -2.508 1.00 0.00 C ATOM 1397 O GLU A 87 -4.534 -8.436 -2.785 1.00 0.00 O ATOM 1398 CB GLU A 87 -7.412 -8.784 -3.717 1.00 0.00 C ATOM 1399 CG GLU A 87 -7.407 -9.957 -4.686 1.00 0.00 C ATOM 1400 CD GLU A 87 -8.250 -11.111 -4.190 1.00 0.00 C ATOM 1401 OE1 GLU A 87 -9.487 -11.035 -4.315 1.00 0.00 O ATOM 1402 OE2 GLU A 87 -7.682 -12.093 -3.666 1.00 0.00 O ATOM 0 H GLU A 87 -7.755 -7.358 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.253 -10.034 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.438 -8.444 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.860 -7.955 -4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.780 -9.627 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.382 -10.297 -4.838 1.00 0.00 H new ATOM 1409 N LYS A 88 -4.906 -10.607 -2.342 1.00 0.00 N ATOM 1410 CA LYS A 88 -3.503 -10.978 -2.366 1.00 0.00 C ATOM 1411 C LYS A 88 -3.238 -11.943 -3.521 1.00 0.00 C ATOM 1412 O LYS A 88 -4.056 -12.820 -3.808 1.00 0.00 O ATOM 1413 CB LYS A 88 -3.137 -11.606 -1.019 1.00 0.00 C ATOM 1414 CG LYS A 88 -1.645 -11.746 -0.764 1.00 0.00 C ATOM 1415 CD LYS A 88 -1.360 -11.855 0.726 1.00 0.00 C ATOM 1416 CE LYS A 88 -1.794 -10.590 1.455 1.00 0.00 C ATOM 1417 NZ LYS A 88 -1.816 -10.759 2.931 1.00 0.00 N ATOM 0 H LYS A 88 -5.542 -11.389 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.882 -10.096 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.572 -11.002 -0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.596 -12.593 -0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.265 -12.629 -1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.118 -10.886 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.885 -12.716 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.295 -12.025 0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.117 -9.776 1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.787 -10.300 1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.118 -9.870 3.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.482 -11.517 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.864 -11.009 3.266 1.00 0.00 H new