USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 685 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 9 TYR OH : rot -14:sc= 0.419 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.385 K(o=0.8,f=-0.68) USER MOD Set 2.1: A 21 CYS SG : rot 153:sc= 0.958 USER MOD Set 2.2: A 24 CYS SG : rot -57:sc= 0.787 USER MOD Set 2.3: A 53 HIS : no HD1:sc= 0.298 K(o=3.3,f=2.6) USER MOD Set 2.4: A 56 CYS SG : rot 145:sc= 0.224 USER MOD Set 2.5: A 59 LYS NZ :NH3+ -174:sc= 0.987 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= 1.24 (180deg=1.19) USER MOD Single : A 13 TYR OH : rot -10:sc= 1.77 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -30:sc= 0.98 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= 0.754 (180deg=0.48) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -172:sc= -0.115 (180deg=-0.278) USER MOD Single : A 38 MET CE :methyl 160:sc= -1.38 (180deg=-2.64!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 170:sc= 0.796 USER MOD Single : A 43 MET CE :methyl -128:sc= 0 (180deg=-0.117) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0.911 (180deg=0.871) USER MOD Single : A 50 HIS : no HD1:sc= -0.0196 X(o=-0.02,f=-0.51) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.017) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.02 K(o=1,f=-0.43) USER MOD Single : A 83 GLN : amide:sc= 0.704 K(o=0.7,f=-0.059) USER MOD Single : A 84 LYS NZ :NH3+ -144:sc= 1.26 (180deg=0.394) USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.07) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 68:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 79 N LYS A 7 -3.304 -5.081 11.922 1.00 0.00 N ATOM 80 CA LYS A 7 -3.814 -4.837 10.570 1.00 0.00 C ATOM 81 C LYS A 7 -3.257 -5.881 9.600 1.00 0.00 C ATOM 82 O LYS A 7 -2.385 -6.674 9.969 1.00 0.00 O ATOM 83 CB LYS A 7 -3.519 -3.395 10.128 1.00 0.00 C ATOM 84 CG LYS A 7 -2.043 -3.009 10.271 1.00 0.00 C ATOM 85 CD LYS A 7 -1.826 -2.100 11.480 1.00 0.00 C ATOM 86 CE LYS A 7 -0.350 -1.695 11.559 1.00 0.00 C ATOM 87 NZ LYS A 7 -0.148 -0.571 12.507 1.00 0.00 N ATOM 0 HA LYS A 7 -4.899 -4.944 10.569 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.821 -3.272 9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.126 -2.709 10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.437 -3.909 10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.707 -2.502 9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.453 -1.212 11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.122 -2.616 12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.247 -2.551 11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.003 -1.406 10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.863 -0.485 12.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.482 0.313 12.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.684 -0.752 13.380 1.00 0.00 H new ATOM 101 N LEU A 8 -3.738 -5.853 8.363 1.00 0.00 N ATOM 102 CA LEU A 8 -3.249 -6.632 7.225 1.00 0.00 C ATOM 103 C LEU A 8 -2.471 -5.786 6.221 1.00 0.00 C ATOM 104 O LEU A 8 -1.675 -6.336 5.464 1.00 0.00 O ATOM 105 CB LEU A 8 -4.463 -7.213 6.481 1.00 0.00 C ATOM 106 CG LEU A 8 -5.352 -8.173 7.279 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.606 -8.447 6.450 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.625 -9.482 7.576 1.00 0.00 C ATOM 0 H LEU A 8 -4.524 -5.254 8.110 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.584 -7.400 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.080 -6.384 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.103 -7.736 5.595 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.612 -7.721 8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.260 -9.129 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.132 -7.510 6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.322 -8.897 5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.281 -10.142 8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.347 -9.964 6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.727 -9.275 8.158 1.00 0.00 H new ATOM 120 N TYR A 9 -2.706 -4.474 6.190 1.00 0.00 N ATOM 121 CA TYR A 9 -2.341 -3.616 5.067 1.00 0.00 C ATOM 122 C TYR A 9 -1.784 -2.273 5.552 1.00 0.00 C ATOM 123 O TYR A 9 -2.092 -1.812 6.651 1.00 0.00 O ATOM 124 CB TYR A 9 -3.570 -3.416 4.157 1.00 0.00 C ATOM 125 CG TYR A 9 -4.235 -4.669 3.604 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.468 -5.649 2.951 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.630 -4.841 3.714 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.078 -6.800 2.416 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.247 -5.994 3.190 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.473 -6.974 2.531 1.00 0.00 C ATOM 131 OH TYR A 9 -6.076 -8.072 2.000 1.00 0.00 O ATOM 0 H TYR A 9 -3.160 -3.973 6.954 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.550 -4.100 4.493 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.318 -2.855 4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.269 -2.793 3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.400 -5.518 2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.228 -4.086 4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.479 -7.548 1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.314 -6.129 3.293 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.459 -8.518 1.383 1.00 0.00 H new ATOM 141 N ARG A 10 -0.971 -1.633 4.710 1.00 0.00 N ATOM 142 CA ARG A 10 -0.318 -0.334 4.940 1.00 0.00 C ATOM 143 C ARG A 10 -0.337 0.484 3.645 1.00 0.00 C ATOM 144 O ARG A 10 -0.226 -0.101 2.571 1.00 0.00 O ATOM 145 CB ARG A 10 1.115 -0.595 5.454 1.00 0.00 C ATOM 146 CG ARG A 10 2.109 0.588 5.501 1.00 0.00 C ATOM 147 CD ARG A 10 1.741 1.605 6.594 1.00 0.00 C ATOM 148 NE ARG A 10 2.578 2.824 6.610 1.00 0.00 N ATOM 149 CZ ARG A 10 2.306 3.937 7.276 1.00 0.00 C ATOM 150 NH1 ARG A 10 1.340 4.053 8.133 1.00 0.00 N ATOM 151 NH2 ARG A 10 3.027 4.996 7.096 1.00 0.00 N ATOM 0 H ARG A 10 -0.735 -2.025 3.798 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.849 0.248 5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.036 -1.002 6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.555 -1.373 4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.115 0.209 5.682 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.125 1.087 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.699 1.898 6.463 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.815 1.117 7.566 1.00 0.00 H new ATOM 0 HE ARG A 10 3.438 2.807 6.062 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.734 3.256 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.186 4.941 8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.808 4.976 6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.815 5.851 7.610 1.00 0.00 H new ATOM 165 N VAL A 11 -0.449 1.808 3.729 1.00 0.00 N ATOM 166 CA VAL A 11 -0.295 2.765 2.616 1.00 0.00 C ATOM 167 C VAL A 11 0.392 4.049 3.089 1.00 0.00 C ATOM 168 O VAL A 11 0.156 4.504 4.208 1.00 0.00 O ATOM 169 CB VAL A 11 -1.670 3.059 1.984 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.561 3.984 2.829 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.534 3.707 0.600 1.00 0.00 C ATOM 0 H VAL A 11 -0.659 2.272 4.612 1.00 0.00 H new ATOM 0 HA VAL A 11 0.344 2.320 1.853 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.142 2.079 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.510 4.142 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.745 3.524 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.060 4.942 2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.525 3.898 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.991 4.648 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.989 3.036 -0.064 1.00 0.00 H new ATOM 181 N GLU A 12 1.254 4.638 2.257 1.00 0.00 N ATOM 182 CA GLU A 12 1.944 5.896 2.566 1.00 0.00 C ATOM 183 C GLU A 12 2.563 6.585 1.354 1.00 0.00 C ATOM 184 O GLU A 12 2.978 5.956 0.377 1.00 0.00 O ATOM 185 CB GLU A 12 3.059 5.658 3.609 1.00 0.00 C ATOM 186 CG GLU A 12 4.188 4.732 3.123 1.00 0.00 C ATOM 187 CD GLU A 12 5.258 4.520 4.199 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.901 4.129 5.334 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.459 4.717 3.898 1.00 0.00 O ATOM 0 H GLU A 12 1.496 4.254 1.343 1.00 0.00 H new ATOM 0 HA GLU A 12 1.169 6.556 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.488 6.619 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.615 5.231 4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.768 3.769 2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.649 5.159 2.232 1.00 0.00 H new ATOM 196 N TYR A 13 2.723 7.899 1.499 1.00 0.00 N ATOM 197 CA TYR A 13 3.748 8.652 0.790 1.00 0.00 C ATOM 198 C TYR A 13 5.131 8.329 1.378 1.00 0.00 C ATOM 199 O TYR A 13 5.368 8.483 2.579 1.00 0.00 O ATOM 200 CB TYR A 13 3.424 10.146 0.883 1.00 0.00 C ATOM 201 CG TYR A 13 2.020 10.537 0.447 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.437 9.965 -0.702 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.304 11.494 1.189 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.182 10.413 -1.158 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.042 11.936 0.747 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.514 11.407 -0.438 1.00 0.00 C ATOM 207 OH TYR A 13 -1.724 11.845 -0.866 1.00 0.00 O ATOM 0 H TYR A 13 2.143 8.470 2.114 1.00 0.00 H new ATOM 0 HA TYR A 13 3.766 8.371 -0.263 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.569 10.469 1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.142 10.695 0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.954 9.181 -1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.724 11.891 2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.247 9.996 -2.057 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.500 12.679 1.314 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.900 11.495 -1.764 1.00 0.00 H new ATOM 217 N ALA A 14 6.041 7.859 0.530 1.00 0.00 N ATOM 218 CA ALA A 14 7.364 7.379 0.907 1.00 0.00 C ATOM 219 C ALA A 14 8.288 8.520 1.373 1.00 0.00 C ATOM 220 O ALA A 14 8.595 9.436 0.604 1.00 0.00 O ATOM 221 CB ALA A 14 7.926 6.634 -0.309 1.00 0.00 C ATOM 0 H ALA A 14 5.870 7.800 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 14 7.297 6.710 1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.920 6.254 -0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.269 5.801 -0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.989 7.316 -1.157 1.00 0.00 H new ATOM 227 N LYS A 15 8.772 8.443 2.621 1.00 0.00 N ATOM 228 CA LYS A 15 9.664 9.446 3.241 1.00 0.00 C ATOM 229 C LYS A 15 11.144 9.253 2.878 1.00 0.00 C ATOM 230 O LYS A 15 11.891 10.228 2.786 1.00 0.00 O ATOM 231 CB LYS A 15 9.426 9.405 4.765 1.00 0.00 C ATOM 232 CG LYS A 15 10.138 10.499 5.582 1.00 0.00 C ATOM 233 CD LYS A 15 9.660 11.921 5.245 1.00 0.00 C ATOM 234 CE LYS A 15 10.300 12.929 6.207 1.00 0.00 C ATOM 235 NZ LYS A 15 9.823 14.314 5.950 1.00 0.00 N ATOM 0 H LYS A 15 8.552 7.667 3.245 1.00 0.00 H new ATOM 0 HA LYS A 15 9.419 10.432 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.354 9.480 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.746 8.432 5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.977 10.312 6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.212 10.433 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.924 12.169 4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.574 11.975 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.068 12.649 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.384 12.893 6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.277 14.967 6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.067 14.590 4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.791 14.354 6.073 1.00 0.00 H new ATOM 249 N SER A 16 11.561 8.007 2.645 1.00 0.00 N ATOM 250 CA SER A 16 12.933 7.621 2.285 1.00 0.00 C ATOM 251 C SER A 16 12.958 6.359 1.413 1.00 0.00 C ATOM 252 O SER A 16 12.087 5.489 1.533 1.00 0.00 O ATOM 253 CB SER A 16 13.773 7.416 3.551 1.00 0.00 C ATOM 254 OG SER A 16 15.145 7.362 3.201 1.00 0.00 O ATOM 0 H SER A 16 10.931 7.207 2.703 1.00 0.00 H new ATOM 0 HA SER A 16 13.364 8.432 1.698 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.597 8.231 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.477 6.494 4.052 1.00 0.00 H new ATOM 0 HG SER A 16 15.684 7.233 4.009 1.00 0.00 H new ATOM 260 N GLY A 17 13.959 6.248 0.535 1.00 0.00 N ATOM 261 CA GLY A 17 14.175 5.115 -0.375 1.00 0.00 C ATOM 262 C GLY A 17 14.803 3.908 0.329 1.00 0.00 C ATOM 263 O GLY A 17 15.951 3.553 0.055 1.00 0.00 O ATOM 0 H GLY A 17 14.670 6.972 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.222 4.820 -0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.821 5.430 -1.195 1.00 0.00 H new ATOM 267 N ARG A 18 14.080 3.327 1.296 1.00 0.00 N ATOM 268 CA ARG A 18 14.538 2.244 2.195 1.00 0.00 C ATOM 269 C ARG A 18 13.566 1.051 2.254 1.00 0.00 C ATOM 270 O ARG A 18 13.573 0.285 3.219 1.00 0.00 O ATOM 271 CB ARG A 18 14.856 2.829 3.591 1.00 0.00 C ATOM 272 CG ARG A 18 15.949 3.914 3.599 1.00 0.00 C ATOM 273 CD ARG A 18 17.329 3.382 3.188 1.00 0.00 C ATOM 274 NE ARG A 18 18.340 4.457 3.183 1.00 0.00 N ATOM 275 CZ ARG A 18 18.723 5.196 2.156 1.00 0.00 C ATOM 276 NH1 ARG A 18 18.220 5.064 0.959 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.644 6.103 2.313 1.00 0.00 N ATOM 0 H ARG A 18 13.118 3.607 1.486 1.00 0.00 H new ATOM 0 HA ARG A 18 15.455 1.826 1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.942 3.250 4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.164 2.017 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.660 4.718 2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.016 4.347 4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.637 2.594 3.876 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.267 2.934 2.196 1.00 0.00 H new ATOM 0 HE ARG A 18 18.796 4.652 4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.497 4.366 0.784 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.549 5.659 0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.070 6.244 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.939 6.673 1.520 1.00 0.00 H new ATOM 291 N ALA A 19 12.739 0.894 1.220 1.00 0.00 N ATOM 292 CA ALA A 19 11.799 -0.215 1.044 1.00 0.00 C ATOM 293 C ALA A 19 11.960 -0.851 -0.349 1.00 0.00 C ATOM 294 O ALA A 19 12.128 -0.142 -1.344 1.00 0.00 O ATOM 295 CB ALA A 19 10.374 0.301 1.277 1.00 0.00 C ATOM 0 H ALA A 19 12.704 1.563 0.451 1.00 0.00 H new ATOM 0 HA ALA A 19 12.009 -0.998 1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.665 -0.517 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.291 0.697 2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.151 1.090 0.559 1.00 0.00 H new ATOM 301 N SER A 20 11.875 -2.181 -0.423 1.00 0.00 N ATOM 302 CA SER A 20 12.051 -2.966 -1.655 1.00 0.00 C ATOM 303 C SER A 20 10.731 -3.598 -2.086 1.00 0.00 C ATOM 304 O SER A 20 9.982 -4.095 -1.243 1.00 0.00 O ATOM 305 CB SER A 20 13.119 -4.051 -1.475 1.00 0.00 C ATOM 306 OG SER A 20 14.371 -3.474 -1.132 1.00 0.00 O ATOM 0 H SER A 20 11.677 -2.761 0.392 1.00 0.00 H new ATOM 0 HA SER A 20 12.386 -2.283 -2.436 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.809 -4.747 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.218 -4.626 -2.396 1.00 0.00 H new ATOM 0 HG SER A 20 15.038 -4.183 -1.020 1.00 0.00 H new ATOM 312 N CYS A 21 10.452 -3.596 -3.391 1.00 0.00 N ATOM 313 CA CYS A 21 9.194 -4.086 -3.944 1.00 0.00 C ATOM 314 C CYS A 21 9.196 -5.617 -4.051 1.00 0.00 C ATOM 315 O CYS A 21 9.990 -6.212 -4.785 1.00 0.00 O ATOM 316 CB CYS A 21 8.971 -3.395 -5.286 1.00 0.00 C ATOM 317 SG CYS A 21 7.289 -3.738 -5.915 1.00 0.00 S ATOM 0 H CYS A 21 11.101 -3.250 -4.098 1.00 0.00 H new ATOM 0 HA CYS A 21 8.362 -3.844 -3.283 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.111 -2.320 -5.175 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.712 -3.741 -6.007 1.00 0.00 H new ATOM 0 HG CYS A 21 6.902 -2.758 -6.676 1.00 0.00 H new ATOM 322 N LYS A 22 8.295 -6.271 -3.312 1.00 0.00 N ATOM 323 CA LYS A 22 8.227 -7.741 -3.203 1.00 0.00 C ATOM 324 C LYS A 22 7.625 -8.424 -4.439 1.00 0.00 C ATOM 325 O LYS A 22 7.684 -9.651 -4.543 1.00 0.00 O ATOM 326 CB LYS A 22 7.447 -8.123 -1.933 1.00 0.00 C ATOM 327 CG LYS A 22 7.979 -7.484 -0.644 1.00 0.00 C ATOM 328 CD LYS A 22 9.344 -8.009 -0.184 1.00 0.00 C ATOM 329 CE LYS A 22 9.274 -9.481 0.248 1.00 0.00 C ATOM 330 NZ LYS A 22 10.584 -9.967 0.756 1.00 0.00 N ATOM 0 H LYS A 22 7.580 -5.793 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 22 9.252 -8.105 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.404 -7.835 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.467 -9.207 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.051 -6.406 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.254 -7.649 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.066 -7.902 -0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.705 -7.403 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.517 -9.597 1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.961 -10.094 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.499 -10.964 1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.301 -9.879 0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.870 -9.398 1.578 1.00 0.00 H new ATOM 344 N LYS A 23 7.051 -7.645 -5.366 1.00 0.00 N ATOM 345 CA LYS A 23 6.353 -8.132 -6.572 1.00 0.00 C ATOM 346 C LYS A 23 7.178 -7.971 -7.854 1.00 0.00 C ATOM 347 O LYS A 23 7.362 -8.964 -8.561 1.00 0.00 O ATOM 348 CB LYS A 23 4.965 -7.473 -6.656 1.00 0.00 C ATOM 349 CG LYS A 23 4.107 -7.896 -7.859 1.00 0.00 C ATOM 350 CD LYS A 23 3.844 -9.410 -7.921 1.00 0.00 C ATOM 351 CE LYS A 23 2.862 -9.711 -9.056 1.00 0.00 C ATOM 352 NZ LYS A 23 2.619 -11.169 -9.213 1.00 0.00 N ATOM 0 H LYS A 23 7.058 -6.627 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 23 6.217 -9.210 -6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.417 -7.702 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.096 -6.391 -6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.153 -7.371 -7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.604 -7.583 -8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.779 -9.946 -8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.437 -9.758 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.916 -9.205 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.253 -9.306 -9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.949 -11.327 -9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.516 -11.650 -9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.222 -11.552 -8.331 1.00 0.00 H new ATOM 366 N CYS A 24 7.698 -6.770 -8.139 1.00 0.00 N ATOM 367 CA CYS A 24 8.526 -6.509 -9.330 1.00 0.00 C ATOM 368 C CYS A 24 10.055 -6.575 -9.079 1.00 0.00 C ATOM 369 O CYS A 24 10.846 -6.489 -10.023 1.00 0.00 O ATOM 370 CB CYS A 24 8.022 -5.258 -10.078 1.00 0.00 C ATOM 371 SG CYS A 24 8.544 -3.671 -9.327 1.00 0.00 S ATOM 0 H CYS A 24 7.558 -5.949 -7.551 1.00 0.00 H new ATOM 0 HA CYS A 24 8.388 -7.345 -10.016 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.380 -5.295 -11.107 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.933 -5.287 -10.118 1.00 0.00 H new ATOM 0 HG CYS A 24 8.147 -3.625 -8.090 1.00 0.00 H new ATOM 376 N SER A 25 10.471 -6.829 -7.829 1.00 0.00 N ATOM 377 CA SER A 25 11.862 -7.004 -7.353 1.00 0.00 C ATOM 378 C SER A 25 12.788 -5.779 -7.470 1.00 0.00 C ATOM 379 O SER A 25 14.006 -5.891 -7.299 1.00 0.00 O ATOM 380 CB SER A 25 12.486 -8.314 -7.869 1.00 0.00 C ATOM 381 OG SER A 25 12.842 -8.256 -9.240 1.00 0.00 O ATOM 0 H SER A 25 9.801 -6.925 -7.066 1.00 0.00 H new ATOM 0 HA SER A 25 11.763 -7.097 -6.271 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.373 -8.545 -7.279 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.780 -9.131 -7.717 1.00 0.00 H new ATOM 0 HG SER A 25 12.237 -7.644 -9.709 1.00 0.00 H new ATOM 387 N GLU A 26 12.220 -4.593 -7.704 1.00 0.00 N ATOM 388 CA GLU A 26 12.926 -3.303 -7.712 1.00 0.00 C ATOM 389 C GLU A 26 12.928 -2.660 -6.305 1.00 0.00 C ATOM 390 O GLU A 26 12.507 -3.273 -5.321 1.00 0.00 O ATOM 391 CB GLU A 26 12.289 -2.378 -8.774 1.00 0.00 C ATOM 392 CG GLU A 26 12.236 -2.926 -10.213 1.00 0.00 C ATOM 393 CD GLU A 26 13.603 -2.962 -10.932 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.576 -3.558 -10.410 1.00 0.00 O ATOM 395 OE2 GLU A 26 13.708 -2.414 -12.056 1.00 0.00 O ATOM 0 H GLU A 26 11.223 -4.498 -7.900 1.00 0.00 H new ATOM 0 HA GLU A 26 13.970 -3.463 -7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.272 -2.145 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.842 -1.439 -8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.825 -3.935 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.548 -2.315 -10.797 1.00 0.00 H new ATOM 402 N SER A 27 13.392 -1.412 -6.185 1.00 0.00 N ATOM 403 CA SER A 27 13.343 -0.617 -4.948 1.00 0.00 C ATOM 404 C SER A 27 12.433 0.593 -5.094 1.00 0.00 C ATOM 405 O SER A 27 12.265 1.136 -6.189 1.00 0.00 O ATOM 406 CB SER A 27 14.739 -0.194 -4.529 1.00 0.00 C ATOM 407 OG SER A 27 14.727 0.457 -3.272 1.00 0.00 O ATOM 0 H SER A 27 13.823 -0.912 -6.963 1.00 0.00 H new ATOM 0 HA SER A 27 12.923 -1.249 -4.166 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.387 -1.069 -4.481 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.160 0.473 -5.282 1.00 0.00 H new ATOM 0 HG SER A 27 15.640 0.716 -3.029 1.00 0.00 H new ATOM 413 N ILE A 28 11.823 1.009 -3.991 1.00 0.00 N ATOM 414 CA ILE A 28 10.724 1.973 -3.976 1.00 0.00 C ATOM 415 C ILE A 28 11.257 3.376 -3.612 1.00 0.00 C ATOM 416 O ILE A 28 11.819 3.542 -2.525 1.00 0.00 O ATOM 417 CB ILE A 28 9.600 1.492 -3.028 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.134 0.045 -3.334 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.401 2.452 -3.127 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.253 -0.562 -2.234 1.00 0.00 C ATOM 0 H ILE A 28 12.082 0.680 -3.061 1.00 0.00 H new ATOM 0 HA ILE A 28 10.285 2.046 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 28 10.008 1.490 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.582 0.041 -4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.010 -0.588 -3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.608 2.114 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.714 3.456 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.030 2.467 -4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.965 -1.575 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.809 -0.591 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.358 0.048 -2.107 1.00 0.00 H new ATOM 432 N PRO A 29 11.106 4.395 -4.484 1.00 0.00 N ATOM 433 CA PRO A 29 11.640 5.742 -4.263 1.00 0.00 C ATOM 434 C PRO A 29 10.825 6.551 -3.240 1.00 0.00 C ATOM 435 O PRO A 29 9.634 6.302 -3.037 1.00 0.00 O ATOM 436 CB PRO A 29 11.611 6.414 -5.639 1.00 0.00 C ATOM 437 CG PRO A 29 10.384 5.778 -6.290 1.00 0.00 C ATOM 438 CD PRO A 29 10.435 4.339 -5.779 1.00 0.00 C ATOM 0 HA PRO A 29 12.644 5.692 -3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.513 7.497 -5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.520 6.216 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.463 6.280 -5.993 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.435 5.823 -7.378 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.432 3.924 -5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.979 3.698 -6.473 1.00 0.00 H new ATOM 446 N LYS A 30 11.456 7.568 -2.636 1.00 0.00 N ATOM 447 CA LYS A 30 10.760 8.603 -1.848 1.00 0.00 C ATOM 448 C LYS A 30 9.973 9.587 -2.725 1.00 0.00 C ATOM 449 O LYS A 30 10.168 9.641 -3.940 1.00 0.00 O ATOM 450 CB LYS A 30 11.722 9.297 -0.871 1.00 0.00 C ATOM 451 CG LYS A 30 12.801 10.178 -1.522 1.00 0.00 C ATOM 452 CD LYS A 30 13.627 10.916 -0.456 1.00 0.00 C ATOM 453 CE LYS A 30 12.835 12.067 0.187 1.00 0.00 C ATOM 454 NZ LYS A 30 13.348 12.399 1.540 1.00 0.00 N ATOM 0 H LYS A 30 12.467 7.699 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 30 10.006 8.099 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.137 9.913 -0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.215 8.534 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.459 9.561 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.331 10.901 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.935 10.211 0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.536 11.310 -0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.893 12.949 -0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.783 11.791 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.057 13.365 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.961 11.727 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.386 12.338 1.542 1.00 0.00 H new ATOM 468 N ASP A 31 9.080 10.357 -2.102 1.00 0.00 N ATOM 469 CA ASP A 31 8.114 11.253 -2.768 1.00 0.00 C ATOM 470 C ASP A 31 7.235 10.519 -3.809 1.00 0.00 C ATOM 471 O ASP A 31 6.953 11.013 -4.905 1.00 0.00 O ATOM 472 CB ASP A 31 8.821 12.523 -3.280 1.00 0.00 C ATOM 473 CG ASP A 31 7.840 13.635 -3.701 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.851 13.888 -2.972 1.00 0.00 O ATOM 475 OD2 ASP A 31 8.089 14.304 -4.734 1.00 0.00 O ATOM 0 H ASP A 31 9.001 10.380 -1.085 1.00 0.00 H new ATOM 0 HA ASP A 31 7.388 11.595 -2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.479 12.904 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.452 12.263 -4.130 1.00 0.00 H new ATOM 480 N SER A 32 6.830 9.294 -3.458 1.00 0.00 N ATOM 481 CA SER A 32 6.006 8.379 -4.258 1.00 0.00 C ATOM 482 C SER A 32 5.043 7.593 -3.363 1.00 0.00 C ATOM 483 O SER A 32 5.207 7.580 -2.143 1.00 0.00 O ATOM 484 CB SER A 32 6.913 7.426 -5.044 1.00 0.00 C ATOM 485 OG SER A 32 6.207 6.940 -6.173 1.00 0.00 O ATOM 0 H SER A 32 7.083 8.890 -2.556 1.00 0.00 H new ATOM 0 HA SER A 32 5.409 8.962 -4.960 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.818 7.944 -5.361 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.226 6.596 -4.410 1.00 0.00 H new ATOM 0 HG SER A 32 6.782 6.331 -6.681 1.00 0.00 H new ATOM 491 N LEU A 33 4.031 6.941 -3.940 1.00 0.00 N ATOM 492 CA LEU A 33 3.003 6.207 -3.198 1.00 0.00 C ATOM 493 C LEU A 33 3.347 4.711 -3.130 1.00 0.00 C ATOM 494 O LEU A 33 3.620 4.076 -4.155 1.00 0.00 O ATOM 495 CB LEU A 33 1.630 6.480 -3.837 1.00 0.00 C ATOM 496 CG LEU A 33 0.452 5.856 -3.065 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.167 6.545 -1.735 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.824 5.968 -3.889 1.00 0.00 C ATOM 0 H LEU A 33 3.901 6.908 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 33 2.964 6.554 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.478 7.557 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.630 6.094 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 33 0.741 4.822 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.674 6.055 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.048 6.481 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.077 7.592 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.653 5.525 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.039 7.018 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.694 5.441 -4.834 1.00 0.00 H new ATOM 510 N ARG A 34 3.301 4.138 -1.923 1.00 0.00 N ATOM 511 CA ARG A 34 3.621 2.733 -1.648 1.00 0.00 C ATOM 512 C ARG A 34 2.657 2.124 -0.640 1.00 0.00 C ATOM 513 O ARG A 34 2.014 2.830 0.135 1.00 0.00 O ATOM 514 CB ARG A 34 5.101 2.587 -1.254 1.00 0.00 C ATOM 515 CG ARG A 34 5.532 3.213 0.084 1.00 0.00 C ATOM 516 CD ARG A 34 7.042 2.995 0.285 1.00 0.00 C ATOM 517 NE ARG A 34 7.546 3.627 1.517 1.00 0.00 N ATOM 518 CZ ARG A 34 8.779 4.010 1.787 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.770 3.894 0.950 1.00 0.00 N ATOM 520 NH2 ARG A 34 9.020 4.563 2.934 1.00 0.00 N ATOM 0 H ARG A 34 3.032 4.654 -1.085 1.00 0.00 H new ATOM 0 HA ARG A 34 3.483 2.155 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.340 1.524 -1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.707 3.028 -2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.303 4.279 0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.975 2.762 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.250 1.926 0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.581 3.398 -0.572 1.00 0.00 H new ATOM 0 HE ARG A 34 6.857 3.788 2.251 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.613 3.488 0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.703 4.209 1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.264 4.694 3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.966 4.867 3.165 1.00 0.00 H new ATOM 534 N MET A 35 2.557 0.805 -0.680 1.00 0.00 N ATOM 535 CA MET A 35 1.715 -0.024 0.177 1.00 0.00 C ATOM 536 C MET A 35 2.530 -1.158 0.787 1.00 0.00 C ATOM 537 O MET A 35 3.616 -1.469 0.309 1.00 0.00 O ATOM 538 CB MET A 35 0.500 -0.553 -0.607 1.00 0.00 C ATOM 539 CG MET A 35 -0.500 0.568 -0.903 1.00 0.00 C ATOM 540 SD MET A 35 -2.028 0.093 -1.759 1.00 0.00 S ATOM 541 CE MET A 35 -2.883 -0.777 -0.416 1.00 0.00 C ATOM 0 H MET A 35 3.091 0.250 -1.349 1.00 0.00 H new ATOM 0 HA MET A 35 1.336 0.587 0.996 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.835 -1.001 -1.542 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.009 -1.340 -0.034 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.772 1.040 0.041 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.005 1.325 -1.503 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.779 -1.259 -0.807 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.221 -1.532 0.008 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.164 -0.064 0.359 1.00 0.00 H new ATOM 551 N ALA A 36 2.034 -1.756 1.863 1.00 0.00 N ATOM 552 CA ALA A 36 2.674 -2.897 2.513 1.00 0.00 C ATOM 553 C ALA A 36 1.643 -3.911 3.025 1.00 0.00 C ATOM 554 O ALA A 36 0.457 -3.591 3.152 1.00 0.00 O ATOM 555 CB ALA A 36 3.630 -2.410 3.615 1.00 0.00 C ATOM 0 H ALA A 36 1.168 -1.461 2.315 1.00 0.00 H new ATOM 0 HA ALA A 36 3.271 -3.431 1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.102 -3.269 4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.397 -1.773 3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.070 -1.843 4.359 1.00 0.00 H new ATOM 561 N ILE A 37 2.101 -5.124 3.342 1.00 0.00 N ATOM 562 CA ILE A 37 1.279 -6.204 3.896 1.00 0.00 C ATOM 563 C ILE A 37 1.852 -6.709 5.208 1.00 0.00 C ATOM 564 O ILE A 37 3.061 -6.868 5.337 1.00 0.00 O ATOM 565 CB ILE A 37 1.095 -7.317 2.843 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.266 -7.081 2.172 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.199 -8.744 3.398 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.464 -7.859 0.872 1.00 0.00 C ATOM 0 H ILE A 37 3.078 -5.390 3.218 1.00 0.00 H new ATOM 0 HA ILE A 37 0.287 -5.820 4.133 1.00 0.00 H new ATOM 0 HB ILE A 37 1.917 -7.252 2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.056 -7.355 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.378 -6.016 1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.057 -9.460 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.183 -8.890 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.431 -8.896 4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.449 -7.637 0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.302 -7.568 0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.386 -8.928 1.072 1.00 0.00 H new ATOM 580 N MET A 38 0.982 -6.986 6.173 1.00 0.00 N ATOM 581 CA MET A 38 1.363 -7.362 7.526 1.00 0.00 C ATOM 582 C MET A 38 1.345 -8.882 7.695 1.00 0.00 C ATOM 583 O MET A 38 0.283 -9.484 7.856 1.00 0.00 O ATOM 584 CB MET A 38 0.426 -6.649 8.514 1.00 0.00 C ATOM 585 CG MET A 38 0.332 -5.121 8.362 1.00 0.00 C ATOM 586 SD MET A 38 1.466 -4.151 9.394 1.00 0.00 S ATOM 587 CE MET A 38 3.027 -4.825 8.787 1.00 0.00 C ATOM 0 H MET A 38 -0.028 -6.954 6.032 1.00 0.00 H new ATOM 0 HA MET A 38 2.386 -7.047 7.731 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.574 -7.068 8.405 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.757 -6.875 9.528 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.515 -4.867 7.318 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.689 -4.815 8.591 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.837 -4.135 9.022 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.219 -5.786 9.265 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.969 -4.962 7.707 1.00 0.00 H new ATOM 597 N VAL A 39 2.530 -9.498 7.690 1.00 0.00 N ATOM 598 CA VAL A 39 2.705 -10.953 7.884 1.00 0.00 C ATOM 599 C VAL A 39 3.489 -11.266 9.157 1.00 0.00 C ATOM 600 O VAL A 39 4.431 -10.563 9.511 1.00 0.00 O ATOM 601 CB VAL A 39 3.306 -11.618 6.629 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.711 -11.114 6.291 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.335 -13.148 6.724 1.00 0.00 C ATOM 0 H VAL A 39 3.410 -9.001 7.550 1.00 0.00 H new ATOM 0 HA VAL A 39 1.717 -11.391 8.025 1.00 0.00 H new ATOM 0 HB VAL A 39 2.633 -11.326 5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.075 -11.622 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.678 -10.040 6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.382 -11.321 7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.768 -13.561 5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.938 -13.448 7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.319 -13.524 6.846 1.00 0.00 H new ATOM 613 N GLN A 40 3.097 -12.329 9.857 1.00 0.00 N ATOM 614 CA GLN A 40 3.809 -12.857 11.026 1.00 0.00 C ATOM 615 C GLN A 40 5.173 -13.446 10.620 1.00 0.00 C ATOM 616 O GLN A 40 5.257 -14.280 9.716 1.00 0.00 O ATOM 617 CB GLN A 40 2.919 -13.870 11.772 1.00 0.00 C ATOM 618 CG GLN A 40 2.232 -14.908 10.863 1.00 0.00 C ATOM 619 CD GLN A 40 1.494 -15.972 11.677 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.981 -17.074 11.902 1.00 0.00 O ATOM 621 NE2 GLN A 40 0.303 -15.690 12.162 1.00 0.00 N ATOM 0 H GLN A 40 2.258 -12.861 9.625 1.00 0.00 H new ATOM 0 HA GLN A 40 4.022 -12.042 11.717 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.527 -14.396 12.508 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.153 -13.325 12.323 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.528 -14.403 10.201 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.978 -15.387 10.229 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.117 -14.778 11.984 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.200 -16.384 12.715 1.00 0.00 H new ATOM 630 N SER A 41 6.252 -13.005 11.271 1.00 0.00 N ATOM 631 CA SER A 41 7.623 -13.363 10.888 1.00 0.00 C ATOM 632 C SER A 41 8.134 -14.638 11.567 1.00 0.00 C ATOM 633 O SER A 41 7.980 -14.790 12.784 1.00 0.00 O ATOM 634 CB SER A 41 8.574 -12.209 11.184 1.00 0.00 C ATOM 635 OG SER A 41 9.881 -12.541 10.742 1.00 0.00 O ATOM 0 H SER A 41 6.201 -12.388 12.081 1.00 0.00 H new ATOM 0 HA SER A 41 7.595 -13.564 9.817 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.230 -11.304 10.684 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.584 -11.998 12.253 1.00 0.00 H new ATOM 0 HG SER A 41 10.452 -11.746 10.784 1.00 0.00 H new ATOM 641 N PRO A 42 8.826 -15.522 10.822 1.00 0.00 N ATOM 642 CA PRO A 42 9.601 -16.609 11.409 1.00 0.00 C ATOM 643 C PRO A 42 10.898 -16.159 12.109 1.00 0.00 C ATOM 644 O PRO A 42 11.480 -16.937 12.869 1.00 0.00 O ATOM 645 CB PRO A 42 9.905 -17.580 10.259 1.00 0.00 C ATOM 646 CG PRO A 42 8.887 -17.220 9.178 1.00 0.00 C ATOM 647 CD PRO A 42 8.694 -15.722 9.387 1.00 0.00 C ATOM 0 HA PRO A 42 9.020 -17.072 12.206 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.927 -17.461 9.898 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.798 -18.617 10.576 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.260 -17.445 8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.954 -17.770 9.301 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.440 -15.148 8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.716 -15.397 9.031 1.00 0.00 H new ATOM 655 N MET A 43 11.372 -14.931 11.847 1.00 0.00 N ATOM 656 CA MET A 43 12.668 -14.403 12.315 1.00 0.00 C ATOM 657 C MET A 43 12.542 -13.233 13.309 1.00 0.00 C ATOM 658 O MET A 43 13.448 -13.016 14.118 1.00 0.00 O ATOM 659 CB MET A 43 13.504 -13.972 11.101 1.00 0.00 C ATOM 660 CG MET A 43 13.992 -15.178 10.283 1.00 0.00 C ATOM 661 SD MET A 43 14.090 -14.886 8.498 1.00 0.00 S ATOM 662 CE MET A 43 12.312 -14.914 8.138 1.00 0.00 C ATOM 0 H MET A 43 10.851 -14.256 11.287 1.00 0.00 H new ATOM 0 HA MET A 43 13.159 -15.209 12.861 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.908 -13.318 10.464 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.362 -13.392 11.439 1.00 0.00 H new ATOM 0 HG2 MET A 43 14.977 -15.471 10.645 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.322 -16.019 10.464 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.116 -15.614 7.326 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.766 -15.228 9.027 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.984 -13.917 7.845 1.00 0.00 H new ATOM 672 N PHE A 44 11.433 -12.490 13.265 1.00 0.00 N ATOM 673 CA PHE A 44 11.134 -11.334 14.119 1.00 0.00 C ATOM 674 C PHE A 44 9.970 -11.623 15.085 1.00 0.00 C ATOM 675 O PHE A 44 9.094 -12.446 14.816 1.00 0.00 O ATOM 676 CB PHE A 44 10.892 -10.105 13.228 1.00 0.00 C ATOM 677 CG PHE A 44 10.417 -8.864 13.957 1.00 0.00 C ATOM 678 CD1 PHE A 44 11.329 -8.062 14.670 1.00 0.00 C ATOM 679 CD2 PHE A 44 9.053 -8.516 13.934 1.00 0.00 C ATOM 680 CE1 PHE A 44 10.878 -6.915 15.349 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.606 -7.361 14.596 1.00 0.00 C ATOM 682 CZ PHE A 44 9.517 -6.562 15.309 1.00 0.00 C ATOM 0 H PHE A 44 10.683 -12.686 12.602 1.00 0.00 H new ATOM 0 HA PHE A 44 11.988 -11.123 14.762 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.818 -9.867 12.704 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.155 -10.366 12.469 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.376 -8.328 14.696 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.348 -9.140 13.405 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.578 -6.305 15.901 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.562 -7.086 14.557 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.172 -5.678 15.825 1.00 0.00 H new ATOM 692 N ASP A 45 9.958 -10.935 16.226 1.00 0.00 N ATOM 693 CA ASP A 45 9.045 -11.172 17.355 1.00 0.00 C ATOM 694 C ASP A 45 7.708 -10.412 17.203 1.00 0.00 C ATOM 695 O ASP A 45 7.331 -9.585 18.040 1.00 0.00 O ATOM 696 CB ASP A 45 9.803 -10.876 18.662 1.00 0.00 C ATOM 697 CG ASP A 45 9.044 -11.308 19.928 1.00 0.00 C ATOM 698 OD1 ASP A 45 8.360 -12.359 19.913 1.00 0.00 O ATOM 699 OD2 ASP A 45 9.167 -10.604 20.959 1.00 0.00 O ATOM 0 H ASP A 45 10.606 -10.167 16.401 1.00 0.00 H new ATOM 0 HA ASP A 45 8.738 -12.218 17.376 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.767 -11.384 18.636 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.008 -9.807 18.719 1.00 0.00 H new ATOM 704 N GLY A 46 7.007 -10.651 16.090 1.00 0.00 N ATOM 705 CA GLY A 46 5.760 -9.987 15.728 1.00 0.00 C ATOM 706 C GLY A 46 5.488 -10.028 14.222 1.00 0.00 C ATOM 707 O GLY A 46 5.926 -10.938 13.507 1.00 0.00 O ATOM 0 H GLY A 46 7.306 -11.336 15.396 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.933 -10.462 16.256 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.796 -8.949 16.059 1.00 0.00 H new ATOM 711 N LYS A 47 4.761 -9.019 13.743 1.00 0.00 N ATOM 712 CA LYS A 47 4.370 -8.839 12.338 1.00 0.00 C ATOM 713 C LYS A 47 5.347 -7.890 11.636 1.00 0.00 C ATOM 714 O LYS A 47 5.823 -6.932 12.247 1.00 0.00 O ATOM 715 CB LYS A 47 2.926 -8.311 12.268 1.00 0.00 C ATOM 716 CG LYS A 47 1.884 -9.175 13.020 1.00 0.00 C ATOM 717 CD LYS A 47 1.003 -10.061 12.125 1.00 0.00 C ATOM 718 CE LYS A 47 0.146 -9.301 11.099 1.00 0.00 C ATOM 719 NZ LYS A 47 -0.899 -8.439 11.719 1.00 0.00 N ATOM 0 H LYS A 47 4.412 -8.273 14.344 1.00 0.00 H new ATOM 0 HA LYS A 47 4.409 -9.798 11.821 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.903 -7.301 12.676 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.630 -8.239 11.221 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.409 -9.812 13.731 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.238 -8.515 13.600 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.644 -10.763 11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.343 -10.651 12.761 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.797 -8.682 10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.334 -10.020 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.348 -7.855 10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.618 -9.037 12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.461 -7.822 12.432 1.00 0.00 H new ATOM 733 N VAL A 48 5.617 -8.131 10.354 1.00 0.00 N ATOM 734 CA VAL A 48 6.521 -7.324 9.514 1.00 0.00 C ATOM 735 C VAL A 48 5.842 -6.857 8.217 1.00 0.00 C ATOM 736 O VAL A 48 4.991 -7.582 7.691 1.00 0.00 O ATOM 737 CB VAL A 48 7.832 -8.066 9.186 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.654 -8.324 10.456 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.629 -9.402 8.457 1.00 0.00 C ATOM 0 H VAL A 48 5.204 -8.915 9.850 1.00 0.00 H new ATOM 0 HA VAL A 48 6.770 -6.443 10.106 1.00 0.00 H new ATOM 0 HB VAL A 48 8.367 -7.400 8.509 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.573 -8.849 10.194 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.901 -7.373 10.929 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.073 -8.933 11.148 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.598 -9.861 8.262 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.030 -10.068 9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.115 -9.226 7.512 1.00 0.00 H new ATOM 749 N PRO A 49 6.193 -5.668 7.685 1.00 0.00 N ATOM 750 CA PRO A 49 5.628 -5.148 6.443 1.00 0.00 C ATOM 751 C PRO A 49 6.338 -5.687 5.190 1.00 0.00 C ATOM 752 O PRO A 49 7.559 -5.583 5.051 1.00 0.00 O ATOM 753 CB PRO A 49 5.750 -3.624 6.551 1.00 0.00 C ATOM 754 CG PRO A 49 7.014 -3.435 7.390 1.00 0.00 C ATOM 755 CD PRO A 49 7.004 -4.640 8.332 1.00 0.00 C ATOM 0 HA PRO A 49 4.593 -5.469 6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.843 -3.157 5.571 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.877 -3.183 7.032 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.909 -3.420 6.768 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.992 -2.495 7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.017 -5.001 8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.586 -4.370 9.302 1.00 0.00 H new ATOM 763 N HIS A 50 5.564 -6.215 4.240 1.00 0.00 N ATOM 764 CA HIS A 50 6.006 -6.552 2.883 1.00 0.00 C ATOM 765 C HIS A 50 5.616 -5.415 1.950 1.00 0.00 C ATOM 766 O HIS A 50 4.451 -5.318 1.588 1.00 0.00 O ATOM 767 CB HIS A 50 5.386 -7.897 2.457 1.00 0.00 C ATOM 768 CG HIS A 50 6.112 -9.103 3.001 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.246 -10.331 2.349 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.736 -9.178 4.210 1.00 0.00 C ATOM 771 CE1 HIS A 50 6.940 -11.119 3.189 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.269 -10.444 4.303 1.00 0.00 N ATOM 0 H HIS A 50 4.579 -6.427 4.398 1.00 0.00 H new ATOM 0 HA HIS A 50 7.089 -6.670 2.843 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.348 -7.929 2.789 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.374 -7.952 1.368 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.800 -8.396 4.952 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.197 -12.150 2.995 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.818 -10.806 5.082 1.00 0.00 H new ATOM 780 N TRP A 51 6.558 -4.528 1.621 1.00 0.00 N ATOM 781 CA TRP A 51 6.307 -3.311 0.843 1.00 0.00 C ATOM 782 C TRP A 51 6.186 -3.596 -0.660 1.00 0.00 C ATOM 783 O TRP A 51 6.858 -4.466 -1.211 1.00 0.00 O ATOM 784 CB TRP A 51 7.425 -2.289 1.070 1.00 0.00 C ATOM 785 CG TRP A 51 7.595 -1.826 2.481 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.492 -2.322 3.363 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.856 -0.785 3.197 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.356 -1.677 4.573 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.339 -0.748 4.541 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.810 0.111 2.863 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.798 0.101 5.513 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.244 0.955 3.844 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.739 0.952 5.161 1.00 0.00 C ATOM 0 H TRP A 51 7.535 -4.637 1.893 1.00 0.00 H new ATOM 0 HA TRP A 51 5.356 -2.908 1.191 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.366 -2.724 0.733 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.232 -1.420 0.441 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.206 -3.104 3.151 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.936 -1.864 5.391 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.442 0.149 1.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.190 0.101 6.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.425 1.608 3.581 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.303 1.606 5.902 1.00 0.00 H new ATOM 804 N TYR A 52 5.383 -2.806 -1.355 1.00 0.00 N ATOM 805 CA TYR A 52 5.311 -2.789 -2.809 1.00 0.00 C ATOM 806 C TYR A 52 4.962 -1.371 -3.300 1.00 0.00 C ATOM 807 O TYR A 52 4.399 -0.566 -2.552 1.00 0.00 O ATOM 808 CB TYR A 52 4.313 -3.841 -3.345 1.00 0.00 C ATOM 809 CG TYR A 52 3.965 -5.095 -2.544 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.182 -5.036 -1.369 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.331 -6.351 -3.063 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.795 -6.225 -0.712 1.00 0.00 C ATOM 813 CE2 TYR A 52 3.936 -7.537 -2.419 1.00 0.00 C ATOM 814 CZ TYR A 52 3.182 -7.479 -1.232 1.00 0.00 C ATOM 815 OH TYR A 52 2.838 -8.637 -0.605 1.00 0.00 O ATOM 0 H TYR A 52 4.747 -2.142 -0.913 1.00 0.00 H new ATOM 0 HA TYR A 52 6.289 -3.060 -3.205 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.376 -3.319 -3.538 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.695 -4.177 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.878 -4.079 -0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.922 -6.404 -3.966 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.202 -6.175 0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.212 -8.494 -2.836 1.00 0.00 H new ATOM 0 HH TYR A 52 3.191 -9.399 -1.109 1.00 0.00 H new ATOM 825 N HIS A 53 5.259 -1.056 -4.567 1.00 0.00 N ATOM 826 CA HIS A 53 4.683 0.132 -5.234 1.00 0.00 C ATOM 827 C HIS A 53 3.140 0.096 -5.157 1.00 0.00 C ATOM 828 O HIS A 53 2.558 -0.988 -5.060 1.00 0.00 O ATOM 829 CB HIS A 53 5.112 0.205 -6.713 1.00 0.00 C ATOM 830 CG HIS A 53 6.595 0.300 -7.005 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.416 -0.692 -7.557 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.330 1.447 -6.893 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.615 -0.122 -7.760 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.592 1.164 -7.374 1.00 0.00 N ATOM 0 H HIS A 53 5.891 -1.601 -5.154 1.00 0.00 H new ATOM 0 HA HIS A 53 5.058 1.014 -4.715 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.725 -0.679 -7.220 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.624 1.070 -7.163 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.988 2.394 -6.503 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.475 -0.626 -8.175 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.373 1.819 -7.427 1.00 0.00 H new ATOM 842 N PHE A 54 2.459 1.248 -5.251 1.00 0.00 N ATOM 843 CA PHE A 54 0.986 1.305 -5.176 1.00 0.00 C ATOM 844 C PHE A 54 0.296 0.306 -6.129 1.00 0.00 C ATOM 845 O PHE A 54 -0.576 -0.446 -5.700 1.00 0.00 O ATOM 846 CB PHE A 54 0.480 2.726 -5.470 1.00 0.00 C ATOM 847 CG PHE A 54 -1.021 2.788 -5.734 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.947 2.624 -4.682 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.494 2.902 -7.057 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.325 2.555 -4.958 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.872 2.842 -7.329 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.787 2.661 -6.280 1.00 0.00 C ATOM 0 H PHE A 54 2.904 2.157 -5.380 1.00 0.00 H new ATOM 0 HA PHE A 54 0.723 1.022 -4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.721 3.372 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.011 3.122 -6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.597 2.551 -3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.793 3.036 -7.867 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.030 2.420 -4.151 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.227 2.935 -8.345 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.845 2.603 -6.489 1.00 0.00 H new ATOM 862 N SER A 55 0.700 0.259 -7.406 1.00 0.00 N ATOM 863 CA SER A 55 0.087 -0.623 -8.409 1.00 0.00 C ATOM 864 C SER A 55 0.513 -2.080 -8.214 1.00 0.00 C ATOM 865 O SER A 55 -0.273 -2.995 -8.469 1.00 0.00 O ATOM 866 CB SER A 55 0.439 -0.151 -9.825 1.00 0.00 C ATOM 867 OG SER A 55 0.000 1.185 -10.032 1.00 0.00 O ATOM 0 H SER A 55 1.461 0.831 -7.773 1.00 0.00 H new ATOM 0 HA SER A 55 -0.994 -0.572 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.517 -0.213 -9.977 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.025 -0.810 -10.559 1.00 0.00 H new ATOM 0 HG SER A 55 0.235 1.469 -10.940 1.00 0.00 H new ATOM 873 N CYS A 56 1.732 -2.308 -7.713 1.00 0.00 N ATOM 874 CA CYS A 56 2.275 -3.634 -7.462 1.00 0.00 C ATOM 875 C CYS A 56 1.494 -4.418 -6.396 1.00 0.00 C ATOM 876 O CYS A 56 1.286 -5.617 -6.575 1.00 0.00 O ATOM 877 CB CYS A 56 3.760 -3.515 -7.124 1.00 0.00 C ATOM 878 SG CYS A 56 4.763 -3.022 -8.581 1.00 0.00 S ATOM 0 H CYS A 56 2.376 -1.556 -7.468 1.00 0.00 H new ATOM 0 HA CYS A 56 2.164 -4.222 -8.373 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.893 -2.782 -6.328 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.122 -4.469 -6.742 1.00 0.00 H new ATOM 0 HG CYS A 56 5.734 -2.248 -8.197 1.00 0.00 H new ATOM 883 N PHE A 57 0.983 -3.748 -5.359 1.00 0.00 N ATOM 884 CA PHE A 57 0.070 -4.318 -4.359 1.00 0.00 C ATOM 885 C PHE A 57 -1.123 -5.025 -5.026 1.00 0.00 C ATOM 886 O PHE A 57 -1.425 -6.182 -4.725 1.00 0.00 O ATOM 887 CB PHE A 57 -0.414 -3.197 -3.432 1.00 0.00 C ATOM 888 CG PHE A 57 -1.379 -3.671 -2.362 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.735 -3.877 -2.682 1.00 0.00 C ATOM 890 CD2 PHE A 57 -0.925 -3.924 -1.055 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.624 -4.376 -1.718 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.830 -4.367 -0.075 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.173 -4.613 -0.410 1.00 0.00 C ATOM 0 H PHE A 57 1.198 -2.766 -5.185 1.00 0.00 H new ATOM 0 HA PHE A 57 0.605 -5.070 -3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.449 -2.735 -2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.898 -2.425 -4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.093 -3.650 -3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.116 -3.778 -0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.652 -4.577 -1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.492 -4.519 0.940 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.857 -4.984 0.339 1.00 0.00 H new ATOM 903 N TRP A 58 -1.779 -4.353 -5.976 1.00 0.00 N ATOM 904 CA TRP A 58 -2.945 -4.893 -6.678 1.00 0.00 C ATOM 905 C TRP A 58 -2.557 -5.955 -7.720 1.00 0.00 C ATOM 906 O TRP A 58 -3.327 -6.888 -7.949 1.00 0.00 O ATOM 907 CB TRP A 58 -3.758 -3.745 -7.287 1.00 0.00 C ATOM 908 CG TRP A 58 -4.060 -2.611 -6.345 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.390 -1.440 -6.325 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.040 -2.517 -5.257 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.827 -0.660 -5.277 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.846 -1.269 -4.582 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.073 -3.349 -4.768 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.619 -0.879 -3.479 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.855 -2.965 -3.663 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.625 -1.738 -3.018 1.00 0.00 C ATOM 0 H TRP A 58 -1.515 -3.416 -6.280 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.574 -5.412 -5.955 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.214 -3.350 -8.145 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.699 -4.146 -7.663 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.622 -1.155 -7.029 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.443 0.256 -5.045 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.265 -4.296 -5.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.442 0.069 -2.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.638 -3.618 -3.308 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.225 -1.457 -2.165 1.00 0.00 H new ATOM 927 N LYS A 59 -1.335 -5.895 -8.278 1.00 0.00 N ATOM 928 CA LYS A 59 -0.761 -6.967 -9.119 1.00 0.00 C ATOM 929 C LYS A 59 -0.456 -8.252 -8.335 1.00 0.00 C ATOM 930 O LYS A 59 -0.384 -9.313 -8.953 1.00 0.00 O ATOM 931 CB LYS A 59 0.492 -6.476 -9.872 1.00 0.00 C ATOM 932 CG LYS A 59 0.178 -5.447 -10.976 1.00 0.00 C ATOM 933 CD LYS A 59 1.427 -4.985 -11.755 1.00 0.00 C ATOM 934 CE LYS A 59 2.421 -4.289 -10.820 1.00 0.00 C ATOM 935 NZ LYS A 59 3.619 -3.740 -11.499 1.00 0.00 N ATOM 0 H LYS A 59 -0.711 -5.097 -8.159 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.530 -7.222 -9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.185 -6.032 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.998 -7.332 -10.317 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.537 -5.881 -11.675 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.303 -4.578 -10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.905 -5.843 -12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.133 -4.304 -12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.908 -3.478 -10.303 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.743 -4.999 -10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.286 -3.378 -10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.078 -4.490 -12.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.335 -2.966 -12.133 1.00 0.00 H new ATOM 949 N VAL A 60 -0.330 -8.212 -6.998 1.00 0.00 N ATOM 950 CA VAL A 60 -0.312 -9.448 -6.170 1.00 0.00 C ATOM 951 C VAL A 60 -1.664 -10.191 -6.221 1.00 0.00 C ATOM 952 O VAL A 60 -1.714 -11.405 -6.021 1.00 0.00 O ATOM 953 CB VAL A 60 0.071 -9.175 -4.695 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.377 -10.465 -3.915 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.316 -8.302 -4.547 1.00 0.00 C ATOM 0 H VAL A 60 -0.239 -7.348 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 60 0.460 -10.081 -6.608 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.807 -8.667 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.640 -10.215 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.502 -11.109 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.211 -10.986 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.529 -8.149 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.165 -8.795 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.143 -7.338 -5.025 1.00 0.00 H new ATOM 965 N GLY A 61 -2.761 -9.485 -6.523 1.00 0.00 N ATOM 966 CA GLY A 61 -4.125 -10.029 -6.568 1.00 0.00 C ATOM 967 C GLY A 61 -4.927 -9.856 -5.268 1.00 0.00 C ATOM 968 O GLY A 61 -6.009 -10.434 -5.141 1.00 0.00 O ATOM 0 H GLY A 61 -2.723 -8.491 -6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.668 -9.547 -7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.071 -11.091 -6.807 1.00 0.00 H new ATOM 972 N HIS A 62 -4.428 -9.069 -4.306 1.00 0.00 N ATOM 973 CA HIS A 62 -5.185 -8.683 -3.105 1.00 0.00 C ATOM 974 C HIS A 62 -6.348 -7.736 -3.439 1.00 0.00 C ATOM 975 O HIS A 62 -6.273 -6.930 -4.368 1.00 0.00 O ATOM 976 CB HIS A 62 -4.257 -8.068 -2.042 1.00 0.00 C ATOM 977 CG HIS A 62 -3.596 -9.110 -1.177 1.00 0.00 C ATOM 978 ND1 HIS A 62 -4.113 -9.607 0.025 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.429 -9.758 -1.455 1.00 0.00 C ATOM 980 CE1 HIS A 62 -3.239 -10.538 0.444 1.00 0.00 C ATOM 981 NE2 HIS A 62 -2.222 -10.652 -0.427 1.00 0.00 N ATOM 0 H HIS A 62 -3.485 -8.680 -4.338 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.620 -9.592 -2.691 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.490 -7.471 -2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.832 -7.389 -1.412 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.792 -9.601 -2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.340 -11.113 1.352 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.432 -11.291 -0.342 1.00 0.00 H new ATOM 989 N SER A 63 -7.418 -7.827 -2.647 1.00 0.00 N ATOM 990 CA SER A 63 -8.603 -6.964 -2.716 1.00 0.00 C ATOM 991 C SER A 63 -9.074 -6.624 -1.302 1.00 0.00 C ATOM 992 O SER A 63 -9.118 -7.494 -0.423 1.00 0.00 O ATOM 993 CB SER A 63 -9.715 -7.648 -3.513 1.00 0.00 C ATOM 994 OG SER A 63 -10.784 -6.744 -3.717 1.00 0.00 O ATOM 0 H SER A 63 -7.487 -8.530 -1.911 1.00 0.00 H new ATOM 0 HA SER A 63 -8.344 -6.038 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.329 -7.991 -4.473 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.069 -8.529 -2.978 1.00 0.00 H new ATOM 0 HG SER A 63 -11.493 -7.186 -4.229 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.390 -5.351 -1.061 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.522 -4.786 0.285 1.00 0.00 C ATOM 1002 C ILE A 64 -10.999 -4.463 0.539 1.00 0.00 C ATOM 1003 O ILE A 64 -11.611 -3.662 -0.168 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.579 -3.573 0.459 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.125 -3.890 0.035 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.604 -3.086 1.914 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.157 -2.723 0.259 1.00 0.00 C ATOM 0 H ILE A 64 -9.564 -4.674 -1.804 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.211 -5.506 1.041 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.946 -2.786 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.772 -4.757 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.114 -4.164 -1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.936 -2.232 2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.618 -2.790 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.275 -3.890 2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.156 -3.014 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.486 -1.861 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.139 -2.463 1.317 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.575 -5.112 1.557 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.030 -5.146 1.813 1.00 0.00 C ATOM 1021 C ARG A 65 -13.544 -3.984 2.674 1.00 0.00 C ATOM 1022 O ARG A 65 -14.715 -3.613 2.585 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.468 -6.520 2.376 1.00 0.00 C ATOM 1024 CG ARG A 65 -12.472 -7.260 3.294 1.00 0.00 C ATOM 1025 CD ARG A 65 -11.483 -8.163 2.529 1.00 0.00 C ATOM 1026 NE ARG A 65 -12.144 -9.369 1.990 1.00 0.00 N ATOM 1027 CZ ARG A 65 -11.772 -10.095 0.949 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -10.756 -9.793 0.191 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -12.437 -11.172 0.642 1.00 0.00 N ATOM 0 H ARG A 65 -11.037 -5.641 2.243 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.504 -5.007 0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.395 -6.377 2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.698 -7.172 1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.909 -6.527 3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.030 -7.868 4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.034 -7.599 1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.673 -8.460 3.195 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.985 -9.678 2.477 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.202 -8.959 0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.514 -10.390 -0.600 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.241 -11.452 1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.154 -11.735 -0.160 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.660 -3.402 3.482 1.00 0.00 N ATOM 1044 CA HIS A 66 -12.905 -2.257 4.372 1.00 0.00 C ATOM 1045 C HIS A 66 -11.615 -1.426 4.515 1.00 0.00 C ATOM 1046 O HIS A 66 -10.917 -1.511 5.528 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.519 -2.727 5.710 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.036 -4.041 6.295 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.834 -4.903 7.055 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -11.797 -4.602 6.168 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -13.061 -5.957 7.368 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -11.833 -5.802 6.846 1.00 0.00 N ATOM 0 H HIS A 66 -11.697 -3.732 3.540 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.650 -1.590 3.938 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.342 -1.947 6.451 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.598 -2.799 5.575 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -10.952 -4.186 5.639 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.381 -6.806 7.954 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.059 -6.460 6.936 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.228 -0.672 3.468 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.875 -0.132 3.336 1.00 0.00 C ATOM 1062 C PRO A 67 -9.496 0.911 4.387 1.00 0.00 C ATOM 1063 O PRO A 67 -8.374 0.886 4.880 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.782 0.423 1.907 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.240 0.698 1.544 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.978 -0.434 2.241 1.00 0.00 C ATOM 0 HA PRO A 67 -9.150 -0.926 3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.179 1.330 1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.326 -0.295 1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.568 1.675 1.900 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.399 0.681 0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.010 -0.159 2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.010 -1.328 1.618 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.419 1.769 4.819 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.144 2.751 5.877 1.00 0.00 C ATOM 1076 C ASP A 68 -10.040 2.112 7.281 1.00 0.00 C ATOM 1077 O ASP A 68 -9.630 2.777 8.235 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.155 3.904 5.809 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.607 3.445 5.986 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -13.093 3.373 7.138 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.263 3.178 4.952 1.00 0.00 O ATOM 0 H ASP A 68 -11.370 1.807 4.453 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.155 3.171 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.915 4.635 6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.055 4.410 4.849 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.386 0.821 7.408 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.267 0.024 8.638 1.00 0.00 C ATOM 1088 C VAL A 69 -8.962 -0.781 8.651 1.00 0.00 C ATOM 1089 O VAL A 69 -8.283 -0.833 9.677 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.480 -0.917 8.815 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.474 -1.597 10.189 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.815 -0.172 8.670 1.00 0.00 C ATOM 0 H VAL A 69 -10.770 0.285 6.629 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.250 0.720 9.477 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.388 -1.664 8.026 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.342 -2.250 10.275 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.564 -2.186 10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.512 -0.838 10.971 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.639 -0.873 8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.879 0.610 9.426 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.876 0.277 7.678 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.589 -1.397 7.521 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.452 -2.334 7.442 1.00 0.00 C ATOM 1104 C GLU A 70 -6.168 -1.772 6.815 1.00 0.00 C ATOM 1105 O GLU A 70 -5.086 -2.274 7.112 1.00 0.00 O ATOM 1106 CB GLU A 70 -7.877 -3.618 6.709 1.00 0.00 C ATOM 1107 CG GLU A 70 -8.657 -4.587 7.608 1.00 0.00 C ATOM 1108 CD GLU A 70 -7.823 -5.148 8.781 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -6.573 -5.175 8.697 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -8.432 -5.583 9.790 1.00 0.00 O ATOM 0 H GLU A 70 -9.067 -1.261 6.630 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.189 -2.542 8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.492 -3.353 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.990 -4.121 6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.532 -4.074 8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.022 -5.417 7.003 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.250 -0.732 5.981 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.077 -0.027 5.443 1.00 0.00 C ATOM 1119 C VAL A 71 -4.596 1.007 6.453 1.00 0.00 C ATOM 1120 O VAL A 71 -5.091 2.132 6.538 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.338 0.556 4.052 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.003 1.000 3.473 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.892 -0.511 3.105 1.00 0.00 C ATOM 0 H VAL A 71 -7.138 -0.350 5.656 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.270 -0.745 5.294 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.052 1.374 4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.159 1.421 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.558 1.755 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.334 0.143 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.069 -0.070 2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.173 -1.325 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.830 -0.899 3.503 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.593 0.612 7.230 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.834 1.500 8.101 1.00 0.00 C ATOM 1135 C ASP A 72 -2.174 2.623 7.280 1.00 0.00 C ATOM 1136 O ASP A 72 -1.673 2.393 6.182 1.00 0.00 O ATOM 1137 CB ASP A 72 -1.810 0.646 8.851 1.00 0.00 C ATOM 1138 CG ASP A 72 -0.998 1.454 9.863 1.00 0.00 C ATOM 1139 OD1 ASP A 72 0.034 2.034 9.461 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -1.368 1.474 11.059 1.00 0.00 O ATOM 0 H ASP A 72 -3.278 -0.357 7.272 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.484 1.994 8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.326 -0.163 9.368 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.132 0.184 8.133 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.198 3.855 7.784 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.647 5.025 7.090 1.00 0.00 C ATOM 1147 C GLY A 73 -2.564 5.641 6.029 1.00 0.00 C ATOM 1148 O GLY A 73 -2.193 6.638 5.414 1.00 0.00 O ATOM 0 H GLY A 73 -2.603 4.075 8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.409 5.789 7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.709 4.738 6.615 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.795 5.145 5.861 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.816 5.796 5.027 1.00 0.00 C ATOM 1154 C PHE A 74 -5.084 7.251 5.470 1.00 0.00 C ATOM 1155 O PHE A 74 -5.306 8.132 4.639 1.00 0.00 O ATOM 1156 CB PHE A 74 -6.086 4.936 5.078 1.00 0.00 C ATOM 1157 CG PHE A 74 -7.222 5.432 4.208 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -7.204 5.173 2.824 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -8.304 6.130 4.779 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.267 5.609 2.017 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.367 6.564 3.967 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.347 6.303 2.588 1.00 0.00 C ATOM 0 H PHE A 74 -4.113 4.281 6.299 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.461 5.867 3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.832 3.920 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.433 4.885 6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.374 4.640 2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.317 6.332 5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.254 5.411 0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.198 7.098 4.404 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.163 6.636 1.965 1.00 0.00 H new ATOM 1172 N SER A 75 -4.962 7.531 6.773 1.00 0.00 N ATOM 1173 CA SER A 75 -5.059 8.875 7.371 1.00 0.00 C ATOM 1174 C SER A 75 -3.835 9.778 7.114 1.00 0.00 C ATOM 1175 O SER A 75 -3.902 10.981 7.367 1.00 0.00 O ATOM 1176 CB SER A 75 -5.280 8.753 8.885 1.00 0.00 C ATOM 1177 OG SER A 75 -6.399 7.924 9.166 1.00 0.00 O ATOM 0 H SER A 75 -4.787 6.805 7.468 1.00 0.00 H new ATOM 0 HA SER A 75 -5.906 9.355 6.881 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.388 8.339 9.355 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.437 9.742 9.315 1.00 0.00 H new ATOM 0 HG SER A 75 -6.522 7.858 10.136 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.722 9.231 6.611 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.505 9.980 6.240 1.00 0.00 C ATOM 1185 C GLU A 76 -1.556 10.495 4.784 1.00 0.00 C ATOM 1186 O GLU A 76 -0.748 11.343 4.394 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.248 9.113 6.473 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.060 8.678 7.938 1.00 0.00 C ATOM 1189 CD GLU A 76 1.033 7.601 8.114 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.105 7.660 7.469 1.00 0.00 O ATOM 1191 OE2 GLU A 76 0.833 6.659 8.917 1.00 0.00 O ATOM 0 H GLU A 76 -2.636 8.228 6.444 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.453 10.857 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.308 8.225 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.632 9.671 6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.197 9.550 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.005 8.294 8.321 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.513 10.009 3.982 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.771 10.442 2.604 1.00 0.00 C ATOM 1200 C LEU A 77 -3.602 11.737 2.539 1.00 0.00 C ATOM 1201 O LEU A 77 -4.351 12.061 3.467 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.503 9.323 1.842 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.772 7.973 1.743 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -3.684 6.996 1.000 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -1.446 8.078 0.992 1.00 0.00 C ATOM 0 H LEU A 77 -3.152 9.276 4.288 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.806 10.650 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.467 9.156 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.708 9.675 0.831 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.547 7.633 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.189 6.029 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.617 6.879 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.897 7.383 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.972 7.097 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.629 8.435 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.789 8.777 1.509 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.537 12.443 1.401 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.497 13.503 1.040 1.00 0.00 C ATOM 1219 C ARG A 78 -5.821 12.924 0.551 1.00 0.00 C ATOM 1220 O ARG A 78 -5.900 11.771 0.123 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.895 14.466 -0.006 1.00 0.00 C ATOM 1222 CG ARG A 78 -2.917 15.481 0.603 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.649 16.502 1.487 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.729 17.550 1.972 1.00 0.00 N ATOM 1225 CZ ARG A 78 -3.043 18.599 2.713 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -4.262 18.826 3.117 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -2.125 19.452 3.068 1.00 0.00 N ATOM 0 H ARG A 78 -2.813 12.295 0.698 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.705 14.073 1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.378 13.886 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.702 15.002 -0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.167 14.956 1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.387 16.002 -0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.460 16.961 0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.102 15.991 2.337 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.748 17.455 1.708 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.012 18.183 2.862 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.466 19.646 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.158 19.312 2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.373 20.260 3.640 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.857 13.763 0.581 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.232 13.390 0.239 1.00 0.00 C ATOM 1243 C TRP A 79 -8.354 12.733 -1.150 1.00 0.00 C ATOM 1244 O TRP A 79 -9.091 11.761 -1.295 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.152 14.617 0.407 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.226 14.792 -0.623 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.491 14.318 -0.565 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.117 15.478 -1.906 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.165 14.657 -1.725 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.360 15.364 -2.593 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -9.075 16.173 -2.556 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.559 15.912 -3.870 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.261 16.723 -3.839 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.499 16.594 -4.497 1.00 0.00 C ATOM 0 H TRP A 79 -6.763 14.742 0.849 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.559 12.616 0.933 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.625 14.557 1.387 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.530 15.512 0.407 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.911 13.761 0.260 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.137 14.414 -1.915 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.121 16.285 -2.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.513 15.812 -4.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.449 17.247 -4.321 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.635 17.018 -5.481 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.595 13.192 -2.149 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.651 12.669 -3.523 1.00 0.00 C ATOM 1267 C ASP A 80 -7.087 11.241 -3.657 1.00 0.00 C ATOM 1268 O ASP A 80 -7.598 10.445 -4.444 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.901 13.636 -4.449 1.00 0.00 C ATOM 1270 CG ASP A 80 -7.030 13.241 -5.931 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.152 13.328 -6.488 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -6.003 12.882 -6.554 1.00 0.00 O ATOM 0 H ASP A 80 -6.917 13.944 -2.029 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.700 12.600 -3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.289 14.645 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.847 13.658 -4.171 1.00 0.00 H new ATOM 1277 N ASP A 81 -6.088 10.872 -2.847 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.578 9.506 -2.794 1.00 0.00 C ATOM 1279 C ASP A 81 -6.433 8.635 -1.872 1.00 0.00 C ATOM 1280 O ASP A 81 -6.630 7.462 -2.169 1.00 0.00 O ATOM 1281 CB ASP A 81 -4.098 9.451 -2.417 1.00 0.00 C ATOM 1282 CG ASP A 81 -3.193 9.971 -3.541 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -3.156 9.336 -4.623 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.490 10.985 -3.322 1.00 0.00 O ATOM 0 H ASP A 81 -5.614 11.515 -2.212 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.652 9.096 -3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.932 10.043 -1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.824 8.423 -2.178 1.00 0.00 H new ATOM 1289 N GLN A 82 -7.049 9.194 -0.826 1.00 0.00 N ATOM 1290 CA GLN A 82 -8.120 8.503 -0.104 1.00 0.00 C ATOM 1291 C GLN A 82 -9.281 8.129 -1.044 1.00 0.00 C ATOM 1292 O GLN A 82 -9.813 7.025 -0.932 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.604 9.351 1.081 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.555 9.412 2.200 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.977 10.288 3.381 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.892 11.101 3.319 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.309 10.168 4.506 1.00 0.00 N ATOM 0 H GLN A 82 -6.825 10.120 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.717 7.571 0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.830 10.361 0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.531 8.933 1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.358 8.402 2.559 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.619 9.793 1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.544 9.497 4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.555 10.746 5.309 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.620 8.968 -2.034 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.623 8.615 -3.046 1.00 0.00 C ATOM 1308 C GLN A 83 -10.128 7.498 -3.979 1.00 0.00 C ATOM 1309 O GLN A 83 -10.887 6.571 -4.257 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.082 9.821 -3.894 1.00 0.00 C ATOM 1311 CG GLN A 83 -11.666 11.045 -3.167 1.00 0.00 C ATOM 1312 CD GLN A 83 -12.420 10.719 -1.879 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -13.560 10.274 -1.885 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -11.808 10.918 -0.731 1.00 0.00 N ATOM 0 H GLN A 83 -9.213 9.896 -2.154 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.483 8.257 -2.479 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.228 10.159 -4.480 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.832 9.465 -4.600 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.854 11.734 -2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.341 11.567 -3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.858 11.289 -0.717 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.284 10.702 0.145 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.869 7.532 -4.448 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.349 6.602 -5.452 1.00 0.00 C ATOM 1325 C LYS A 84 -8.007 5.258 -4.844 1.00 0.00 C ATOM 1326 O LYS A 84 -8.241 4.240 -5.481 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.195 7.245 -6.242 1.00 0.00 C ATOM 1328 CG LYS A 84 -5.784 7.187 -5.643 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.993 5.962 -6.112 1.00 0.00 C ATOM 1330 CE LYS A 84 -3.520 6.015 -5.688 1.00 0.00 C ATOM 1331 NZ LYS A 84 -2.787 7.161 -6.289 1.00 0.00 N ATOM 0 H LYS A 84 -8.180 8.215 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.134 6.393 -6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.159 6.772 -7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.445 8.294 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.240 8.092 -5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.856 7.174 -4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.452 5.060 -5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.053 5.889 -7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.462 6.082 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.030 5.085 -5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.812 6.873 -6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.265 7.459 -7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.770 7.954 -5.616 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.523 5.229 -3.604 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.221 3.975 -2.897 1.00 0.00 C ATOM 1347 C VAL A 85 -8.520 3.244 -2.547 1.00 0.00 C ATOM 1348 O VAL A 85 -8.609 2.038 -2.777 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.334 4.239 -1.659 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.115 2.998 -0.778 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.952 4.744 -2.102 1.00 0.00 C ATOM 0 H VAL A 85 -7.328 6.068 -3.058 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.647 3.322 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.870 4.982 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.483 3.261 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.077 2.635 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.629 2.217 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.333 4.928 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.475 3.993 -2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.066 5.670 -2.665 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.574 3.958 -2.114 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.904 3.350 -1.910 1.00 0.00 C ATOM 1363 C LYS A 86 -11.570 2.943 -3.227 1.00 0.00 C ATOM 1364 O LYS A 86 -12.085 1.829 -3.313 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.816 4.253 -1.062 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.287 4.347 0.380 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.266 4.939 1.407 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.543 4.105 1.505 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.344 4.431 2.714 1.00 0.00 N ATOM 0 H LYS A 86 -9.533 4.954 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.744 2.430 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.865 5.248 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.831 3.855 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.002 3.348 0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.381 4.952 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.785 4.988 2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.518 5.961 1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.150 4.270 0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.282 3.047 1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.291 4.010 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.871 4.048 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.431 5.463 2.805 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.479 3.769 -4.279 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.954 3.422 -5.634 1.00 0.00 C ATOM 1385 C LYS A 87 -11.251 2.177 -6.178 1.00 0.00 C ATOM 1386 O LYS A 87 -11.907 1.283 -6.703 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.813 4.624 -6.575 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.434 4.328 -7.950 1.00 0.00 C ATOM 1389 CD LYS A 87 -12.624 5.627 -8.735 1.00 0.00 C ATOM 1390 CE LYS A 87 -13.222 5.333 -10.117 1.00 0.00 C ATOM 1391 NZ LYS A 87 -13.457 6.582 -10.889 1.00 0.00 N ATOM 0 H LYS A 87 -11.072 4.702 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.013 3.173 -5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.299 5.494 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.759 4.874 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.791 3.648 -8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.394 3.827 -7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.280 6.300 -8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.666 6.136 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.549 4.681 -10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.162 4.795 -10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.861 6.345 -11.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.119 7.193 -10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.555 7.083 -11.022 1.00 0.00 H new ATOM 1405 N THR A 88 -9.938 2.066 -5.981 1.00 0.00 N ATOM 1406 CA THR A 88 -9.135 0.912 -6.409 1.00 0.00 C ATOM 1407 C THR A 88 -9.462 -0.349 -5.605 1.00 0.00 C ATOM 1408 O THR A 88 -9.481 -1.446 -6.166 1.00 0.00 O ATOM 1409 CB THR A 88 -7.633 1.224 -6.355 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.353 2.360 -7.138 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.818 0.104 -6.981 1.00 0.00 C ATOM 0 H THR A 88 -9.389 2.786 -5.512 1.00 0.00 H new ATOM 0 HA THR A 88 -9.401 0.711 -7.447 1.00 0.00 H new ATOM 0 HB THR A 88 -7.378 1.363 -5.304 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.758 3.151 -6.724 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.758 0.352 -6.929 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.000 -0.825 -6.440 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.111 -0.020 -8.024 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.801 -0.206 -4.321 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.196 -1.307 -3.457 1.00 0.00 C ATOM 1421 C ALA A 89 -11.569 -1.867 -3.853 1.00 0.00 C ATOM 1422 O ALA A 89 -11.736 -3.087 -3.887 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.176 -0.819 -2.008 1.00 0.00 C ATOM 0 H ALA A 89 -9.807 0.699 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.490 -2.130 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.470 -1.633 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.171 -0.487 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.873 0.011 -1.894 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.528 -1.008 -4.235 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.818 -1.498 -4.752 1.00 0.00 C ATOM 1431 C GLU A 90 -13.736 -2.003 -6.202 1.00 0.00 C ATOM 1432 O GLU A 90 -14.459 -2.925 -6.585 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.965 -0.495 -4.570 1.00 0.00 C ATOM 1434 CG GLU A 90 -14.846 0.808 -5.367 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.103 1.680 -5.189 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -17.079 1.507 -5.959 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -16.128 2.548 -4.282 1.00 0.00 O ATOM 0 H GLU A 90 -12.440 0.007 -4.198 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.056 -2.361 -4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -15.898 -0.985 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.039 -0.246 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.966 1.361 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.703 0.581 -6.423 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.819 -1.441 -6.995 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.527 -1.874 -8.358 1.00 0.00 C ATOM 1446 C ALA A 91 -11.772 -3.223 -8.428 1.00 0.00 C ATOM 1447 O ALA A 91 -11.715 -3.845 -9.493 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.733 -0.753 -9.046 1.00 0.00 C ATOM 0 H ALA A 91 -12.246 -0.652 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.470 -2.055 -8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.499 -1.048 -10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.329 0.160 -9.058 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.807 -0.575 -8.499 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.194 -3.687 -7.310 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.391 -4.912 -7.235 1.00 0.00 C ATOM 1456 C GLY A 92 -9.007 -4.785 -7.889 1.00 0.00 C ATOM 1457 O GLY A 92 -8.489 -5.768 -8.425 1.00 0.00 O ATOM 0 H GLY A 92 -11.275 -3.208 -6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.264 -5.189 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.937 -5.724 -7.716 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.424 -3.580 -7.881 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.152 -3.248 -8.523 1.00 0.00 C ATOM 1463 C GLY A 93 -7.296 -2.387 -9.782 1.00 0.00 C ATOM 1464 O GLY A 93 -8.268 -2.493 -10.533 1.00 0.00 O ATOM 0 H GLY A 93 -8.844 -2.780 -7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.521 -2.723 -7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.636 -4.172 -8.784 1.00 0.00 H new