USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 Single : A 44 SER OG : rot -48:sc= 0.423 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 32:sc= -1.37! USER MOD Single : A 47 TYR OH : rot 82:sc= 0.279 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0598 (180deg=-0.358) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -104:sc= -0.712 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -109:sc= -0.385 (180deg=-2.1!) USER MOD Single : A 71 LYS NZ :NH3+ -122:sc= 1.27 (180deg=-0.367) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.174 X(o=0.17,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -54:sc= 0.00924 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.04 K(o=1,f=-6.5!) USER MOD Single : A 92 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.22) USER MOD Single : A 95 LYS NZ :NH3+ -121:sc= -0.259 (180deg=-0.363) USER MOD Single : A 96 LYS NZ :NH3+ 144:sc= 1.24 (180deg=0.197) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 107 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0746) USER MOD Single : A 114 LYS NZ :NH3+ 169:sc=-0.00718 (180deg=-0.12) USER MOD ----------------------------------------------------------------- ATOM 76 N SER A 44 13.458 -4.440 8.262 1.00 0.00 N ATOM 77 CA SER A 44 12.277 -4.967 8.921 1.00 0.00 C ATOM 78 C SER A 44 11.184 -3.907 8.988 1.00 0.00 C ATOM 79 O SER A 44 10.405 -3.853 9.945 1.00 0.00 O ATOM 80 CB SER A 44 12.640 -5.457 10.327 1.00 0.00 C ATOM 81 OG SER A 44 11.568 -6.176 10.922 1.00 0.00 O ATOM 0 HA SER A 44 11.897 -5.809 8.343 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.522 -6.095 10.274 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.900 -4.605 10.954 1.00 0.00 H new ATOM 0 HG SER A 44 10.738 -5.664 10.826 1.00 0.00 H new ATOM 87 N LYS A 45 11.065 -3.129 7.923 1.00 0.00 N ATOM 88 CA LYS A 45 9.989 -2.164 7.814 1.00 0.00 C ATOM 89 C LYS A 45 8.706 -2.898 7.487 1.00 0.00 C ATOM 90 O LYS A 45 8.656 -3.671 6.528 1.00 0.00 O ATOM 91 CB LYS A 45 10.281 -1.134 6.715 1.00 0.00 C ATOM 92 CG LYS A 45 11.666 -0.510 6.782 1.00 0.00 C ATOM 93 CD LYS A 45 11.884 0.281 8.064 1.00 0.00 C ATOM 94 CE LYS A 45 13.239 0.971 8.052 1.00 0.00 C ATOM 95 NZ LYS A 45 13.435 1.858 9.225 1.00 0.00 N ATOM 0 H LYS A 45 11.700 -3.149 7.125 1.00 0.00 H new ATOM 0 HA LYS A 45 9.895 -1.634 8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.160 -1.614 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.536 -0.340 6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.419 -1.295 6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.807 0.147 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.094 1.024 8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.819 -0.386 8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.027 0.218 8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.337 1.556 7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.373 2.304 9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.701 2.595 9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.369 1.298 10.099 1.00 0.00 H new ATOM 109 N SER A 46 7.672 -2.658 8.263 1.00 0.00 N ATOM 110 CA SER A 46 6.391 -3.264 7.985 1.00 0.00 C ATOM 111 C SER A 46 5.793 -2.633 6.737 1.00 0.00 C ATOM 112 O SER A 46 5.450 -1.452 6.743 1.00 0.00 O ATOM 113 CB SER A 46 5.442 -3.097 9.176 1.00 0.00 C ATOM 114 OG SER A 46 4.126 -3.499 8.849 1.00 0.00 O ATOM 0 H SER A 46 7.693 -2.053 9.084 1.00 0.00 H new ATOM 0 HA SER A 46 6.533 -4.331 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.805 -3.686 10.018 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.437 -2.055 9.495 1.00 0.00 H new ATOM 0 HG SER A 46 4.160 -4.226 8.193 1.00 0.00 H new ATOM 120 N TYR A 47 5.604 -3.436 5.697 1.00 0.00 N ATOM 121 CA TYR A 47 4.940 -2.961 4.494 1.00 0.00 C ATOM 122 C TYR A 47 3.513 -2.587 4.855 1.00 0.00 C ATOM 123 O TYR A 47 2.999 -1.561 4.419 1.00 0.00 O ATOM 124 CB TYR A 47 4.953 -4.027 3.391 1.00 0.00 C ATOM 125 CG TYR A 47 6.339 -4.382 2.894 1.00 0.00 C ATOM 126 CD1 TYR A 47 7.229 -5.073 3.703 1.00 0.00 C ATOM 127 CD2 TYR A 47 6.761 -4.017 1.622 1.00 0.00 C ATOM 128 CE1 TYR A 47 8.498 -5.395 3.257 1.00 0.00 C ATOM 129 CE2 TYR A 47 8.025 -4.337 1.169 1.00 0.00 C ATOM 130 CZ TYR A 47 8.878 -5.041 1.967 1.00 0.00 C ATOM 131 OH TYR A 47 10.153 -5.344 1.543 1.00 0.00 O ATOM 0 H TYR A 47 5.899 -4.412 5.664 1.00 0.00 H new ATOM 0 HA TYR A 47 5.472 -2.092 4.106 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.471 -4.929 3.766 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.356 -3.673 2.550 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.926 -5.364 4.698 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.088 -3.473 0.976 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.187 -5.916 3.905 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.339 -4.030 0.182 1.00 0.00 H new ATOM 0 HH TYR A 47 10.187 -6.278 1.250 1.00 0.00 H new ATOM 141 N ARG A 48 2.969 -3.343 5.799 1.00 0.00 N ATOM 142 CA ARG A 48 1.670 -3.060 6.390 1.00 0.00 C ATOM 143 C ARG A 48 1.630 -1.638 6.960 1.00 0.00 C ATOM 144 O ARG A 48 0.710 -0.868 6.679 1.00 0.00 O ATOM 145 CB ARG A 48 1.408 -4.071 7.508 1.00 0.00 C ATOM 146 CG ARG A 48 0.046 -3.938 8.162 1.00 0.00 C ATOM 147 CD ARG A 48 -0.011 -4.710 9.470 1.00 0.00 C ATOM 148 NE ARG A 48 -1.376 -4.831 9.974 1.00 0.00 N ATOM 149 CZ ARG A 48 -1.690 -5.185 11.215 1.00 0.00 C ATOM 150 NH1 ARG A 48 -0.735 -5.398 12.116 1.00 0.00 N ATOM 151 NH2 ARG A 48 -2.966 -5.311 11.555 1.00 0.00 N ATOM 0 H ARG A 48 3.420 -4.175 6.178 1.00 0.00 H new ATOM 0 HA ARG A 48 0.902 -3.140 5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.507 -5.078 7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.178 -3.958 8.272 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.171 -2.886 8.347 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.724 -4.307 7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.411 -5.704 9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.607 -4.208 10.214 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.140 -4.630 9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.245 -5.290 11.856 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.983 -5.670 13.067 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.697 -5.136 10.866 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.216 -5.582 12.506 1.00 0.00 H new ATOM 165 N GLU A 49 2.654 -1.292 7.731 1.00 0.00 N ATOM 166 CA GLU A 49 2.768 0.016 8.335 1.00 0.00 C ATOM 167 C GLU A 49 3.013 1.091 7.280 1.00 0.00 C ATOM 168 O GLU A 49 2.356 2.128 7.283 1.00 0.00 O ATOM 169 CB GLU A 49 3.905 -0.023 9.355 1.00 0.00 C ATOM 170 CG GLU A 49 4.392 1.335 9.781 1.00 0.00 C ATOM 171 CD GLU A 49 3.417 2.076 10.676 1.00 0.00 C ATOM 172 OE1 GLU A 49 2.343 1.519 11.000 1.00 0.00 O ATOM 173 OE2 GLU A 49 3.728 3.217 11.076 1.00 0.00 O ATOM 0 H GLU A 49 3.428 -1.918 7.951 1.00 0.00 H new ATOM 0 HA GLU A 49 1.834 0.272 8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.570 -0.570 10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.740 -0.581 8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.341 1.223 10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.587 1.937 8.893 1.00 0.00 H new ATOM 180 N LEU A 50 3.945 0.816 6.372 1.00 0.00 N ATOM 181 CA LEU A 50 4.290 1.740 5.291 1.00 0.00 C ATOM 182 C LEU A 50 3.058 2.135 4.488 1.00 0.00 C ATOM 183 O LEU A 50 2.817 3.319 4.233 1.00 0.00 O ATOM 184 CB LEU A 50 5.317 1.086 4.360 1.00 0.00 C ATOM 185 CG LEU A 50 6.799 1.272 4.724 1.00 0.00 C ATOM 186 CD1 LEU A 50 7.015 1.320 6.226 1.00 0.00 C ATOM 187 CD2 LEU A 50 7.613 0.140 4.134 1.00 0.00 C ATOM 0 H LEU A 50 4.482 -0.051 6.363 1.00 0.00 H new ATOM 0 HA LEU A 50 4.712 2.640 5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.108 0.017 4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.162 1.478 3.355 1.00 0.00 H new ATOM 0 HG LEU A 50 7.123 2.227 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.076 1.452 6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.454 2.154 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.670 0.388 6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.663 0.274 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.259 -0.810 4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.504 0.140 3.049 1.00 0.00 H new ATOM 199 N ILE A 51 2.280 1.138 4.097 1.00 0.00 N ATOM 200 CA ILE A 51 1.073 1.365 3.324 1.00 0.00 C ATOM 201 C ILE A 51 0.046 2.128 4.137 1.00 0.00 C ATOM 202 O ILE A 51 -0.499 3.104 3.660 1.00 0.00 O ATOM 203 CB ILE A 51 0.459 0.044 2.828 1.00 0.00 C ATOM 204 CG1 ILE A 51 1.468 -0.710 1.966 1.00 0.00 C ATOM 205 CG2 ILE A 51 -0.817 0.307 2.037 1.00 0.00 C ATOM 206 CD1 ILE A 51 1.026 -2.108 1.624 1.00 0.00 C ATOM 0 H ILE A 51 2.467 0.157 4.305 1.00 0.00 H new ATOM 0 HA ILE A 51 1.358 1.960 2.456 1.00 0.00 H new ATOM 0 HB ILE A 51 0.205 -0.567 3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.637 -0.153 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.422 -0.755 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.235 -0.640 1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.541 0.815 2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.588 0.934 1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.787 -2.590 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.884 -2.679 2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.087 -2.068 1.073 1.00 0.00 H new ATOM 218 N ILE A 52 -0.183 1.717 5.376 1.00 0.00 N ATOM 219 CA ILE A 52 -1.144 2.404 6.230 1.00 0.00 C ATOM 220 C ILE A 52 -0.742 3.856 6.473 1.00 0.00 C ATOM 221 O ILE A 52 -1.543 4.770 6.256 1.00 0.00 O ATOM 222 CB ILE A 52 -1.329 1.683 7.581 1.00 0.00 C ATOM 223 CG1 ILE A 52 -2.217 0.449 7.387 1.00 0.00 C ATOM 224 CG2 ILE A 52 -1.927 2.633 8.607 1.00 0.00 C ATOM 225 CD1 ILE A 52 -2.330 -0.434 8.606 1.00 0.00 C ATOM 0 H ILE A 52 0.279 0.918 5.811 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.095 2.389 5.698 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.358 1.356 7.954 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.215 0.776 7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.822 -0.142 6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.052 2.112 9.556 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.261 3.485 8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.897 2.985 8.255 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.976 -1.283 8.382 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.341 -0.795 8.887 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.755 0.137 9.431 1.00 0.00 H new ATOM 237 N GLU A 53 0.509 4.063 6.874 1.00 0.00 N ATOM 238 CA GLU A 53 1.034 5.398 7.130 1.00 0.00 C ATOM 239 C GLU A 53 0.848 6.289 5.908 1.00 0.00 C ATOM 240 O GLU A 53 0.472 7.458 6.021 1.00 0.00 O ATOM 241 CB GLU A 53 2.519 5.306 7.507 1.00 0.00 C ATOM 242 CG GLU A 53 3.217 6.651 7.661 1.00 0.00 C ATOM 243 CD GLU A 53 2.720 7.459 8.845 1.00 0.00 C ATOM 244 OE1 GLU A 53 1.906 6.942 9.640 1.00 0.00 O ATOM 245 OE2 GLU A 53 3.158 8.622 8.991 1.00 0.00 O ATOM 0 H GLU A 53 1.183 3.314 7.030 1.00 0.00 H new ATOM 0 HA GLU A 53 0.484 5.842 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.610 4.755 8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.039 4.726 6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.289 6.485 7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.075 7.232 6.750 1.00 0.00 H new ATOM 252 N GLY A 54 1.074 5.717 4.738 1.00 0.00 N ATOM 253 CA GLY A 54 0.884 6.456 3.515 1.00 0.00 C ATOM 254 C GLY A 54 -0.559 6.597 3.139 1.00 0.00 C ATOM 255 O GLY A 54 -1.029 7.694 2.883 1.00 0.00 O ATOM 0 H GLY A 54 1.386 4.754 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.325 7.447 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.418 5.956 2.707 1.00 0.00 H new ATOM 259 N LEU A 55 -1.202 5.461 2.951 1.00 0.00 N ATOM 260 CA LEU A 55 -2.547 5.393 2.407 1.00 0.00 C ATOM 261 C LEU A 55 -3.530 6.235 3.216 1.00 0.00 C ATOM 262 O LEU A 55 -4.403 6.887 2.648 1.00 0.00 O ATOM 263 CB LEU A 55 -2.970 3.926 2.356 1.00 0.00 C ATOM 264 CG LEU A 55 -3.839 3.507 1.174 1.00 0.00 C ATOM 265 CD1 LEU A 55 -5.259 3.911 1.409 1.00 0.00 C ATOM 266 CD2 LEU A 55 -3.340 4.119 -0.121 1.00 0.00 C ATOM 0 H LEU A 55 -0.802 4.549 3.173 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.553 5.811 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.070 3.312 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.509 3.695 3.275 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.780 2.422 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.869 3.607 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.630 3.428 2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.315 4.993 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.980 3.801 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.363 5.206 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.318 3.790 -0.309 1.00 0.00 H new ATOM 278 N THR A 56 -3.328 6.302 4.527 1.00 0.00 N ATOM 279 CA THR A 56 -4.152 7.156 5.371 1.00 0.00 C ATOM 280 C THR A 56 -3.915 8.631 5.023 1.00 0.00 C ATOM 281 O THR A 56 -4.795 9.475 5.193 1.00 0.00 O ATOM 282 CB THR A 56 -3.875 6.907 6.877 1.00 0.00 C ATOM 283 OG1 THR A 56 -4.956 7.414 7.672 1.00 0.00 O ATOM 284 CG2 THR A 56 -2.574 7.558 7.327 1.00 0.00 C ATOM 0 H THR A 56 -2.607 5.780 5.024 1.00 0.00 H new ATOM 0 HA THR A 56 -5.196 6.907 5.180 1.00 0.00 H new ATOM 0 HB THR A 56 -3.786 5.830 7.016 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.770 7.249 8.620 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.416 7.361 8.387 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.744 7.146 6.754 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.630 8.634 7.163 1.00 0.00 H new ATOM 292 N ALA A 57 -2.710 8.931 4.546 1.00 0.00 N ATOM 293 CA ALA A 57 -2.332 10.286 4.181 1.00 0.00 C ATOM 294 C ALA A 57 -2.677 10.622 2.724 1.00 0.00 C ATOM 295 O ALA A 57 -3.145 11.724 2.439 1.00 0.00 O ATOM 296 CB ALA A 57 -0.847 10.500 4.430 1.00 0.00 C ATOM 0 H ALA A 57 -1.972 8.241 4.403 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.911 10.961 4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.575 11.518 4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.628 10.340 5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.272 9.795 3.830 1.00 0.00 H new ATOM 302 N LEU A 58 -2.296 9.745 1.790 1.00 0.00 N ATOM 303 CA LEU A 58 -2.396 10.066 0.366 1.00 0.00 C ATOM 304 C LEU A 58 -3.708 9.579 -0.253 1.00 0.00 C ATOM 305 O LEU A 58 -3.840 9.525 -1.480 1.00 0.00 O ATOM 306 CB LEU A 58 -1.200 9.482 -0.411 1.00 0.00 C ATOM 307 CG LEU A 58 -1.376 8.057 -0.944 1.00 0.00 C ATOM 308 CD1 LEU A 58 -0.707 7.910 -2.297 1.00 0.00 C ATOM 309 CD2 LEU A 58 -0.820 7.044 0.013 1.00 0.00 C ATOM 0 H LEU A 58 -1.920 8.819 1.992 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.381 11.153 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.984 10.139 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.326 9.500 0.240 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.445 7.874 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.842 6.891 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.155 8.610 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.358 8.123 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.961 6.043 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.244 7.229 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.339 7.123 0.968 1.00 0.00 H new ATOM 321 N LYS A 59 -4.671 9.222 0.591 1.00 0.00 N ATOM 322 CA LYS A 59 -5.951 8.693 0.119 1.00 0.00 C ATOM 323 C LYS A 59 -6.695 9.700 -0.759 1.00 0.00 C ATOM 324 O LYS A 59 -7.536 9.315 -1.575 1.00 0.00 O ATOM 325 CB LYS A 59 -6.838 8.269 1.300 1.00 0.00 C ATOM 326 CG LYS A 59 -7.540 9.417 2.020 1.00 0.00 C ATOM 327 CD LYS A 59 -6.576 10.253 2.843 1.00 0.00 C ATOM 328 CE LYS A 59 -7.294 11.363 3.596 1.00 0.00 C ATOM 329 NZ LYS A 59 -8.349 10.836 4.504 1.00 0.00 N ATOM 0 H LYS A 59 -4.592 9.288 1.606 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.728 7.817 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.593 7.571 0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.225 7.728 2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.036 10.054 1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.316 9.015 2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.053 9.612 3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.821 10.687 2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.569 11.933 4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.743 12.053 2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.634 11.579 5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.174 10.541 3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.978 10.019 5.030 1.00 0.00 H new ATOM 343 N GLU A 60 -6.426 10.987 -0.540 1.00 0.00 N ATOM 344 CA GLU A 60 -7.105 12.063 -1.256 1.00 0.00 C ATOM 345 C GLU A 60 -8.613 11.969 -1.054 1.00 0.00 C ATOM 346 O GLU A 60 -9.130 12.270 0.023 1.00 0.00 O ATOM 347 CB GLU A 60 -6.775 12.032 -2.754 1.00 0.00 C ATOM 348 CG GLU A 60 -5.306 12.234 -3.075 1.00 0.00 C ATOM 349 CD GLU A 60 -5.046 12.299 -4.564 1.00 0.00 C ATOM 350 OE1 GLU A 60 -5.365 11.320 -5.266 1.00 0.00 O ATOM 351 OE2 GLU A 60 -4.528 13.331 -5.041 1.00 0.00 O ATOM 0 H GLU A 60 -5.734 11.311 0.136 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.748 13.009 -0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.096 11.075 -3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.354 12.806 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.958 13.155 -2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.727 11.418 -2.643 1.00 0.00 H new ATOM 358 N ARG A 61 -9.302 11.548 -2.100 1.00 0.00 N ATOM 359 CA ARG A 61 -10.747 11.411 -2.077 1.00 0.00 C ATOM 360 C ARG A 61 -11.194 10.265 -1.169 1.00 0.00 C ATOM 361 O ARG A 61 -12.225 10.375 -0.504 1.00 0.00 O ATOM 362 CB ARG A 61 -11.267 11.206 -3.502 1.00 0.00 C ATOM 363 CG ARG A 61 -10.615 10.041 -4.232 1.00 0.00 C ATOM 364 CD ARG A 61 -10.737 10.187 -5.740 1.00 0.00 C ATOM 365 NE ARG A 61 -10.070 11.396 -6.228 1.00 0.00 N ATOM 366 CZ ARG A 61 -8.745 11.584 -6.234 1.00 0.00 C ATOM 367 NH1 ARG A 61 -7.917 10.595 -5.907 1.00 0.00 N ATOM 368 NH2 ARG A 61 -8.250 12.756 -6.610 1.00 0.00 N ATOM 0 H ARG A 61 -8.875 11.291 -2.990 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.169 12.328 -1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.344 11.043 -3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.102 12.119 -4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.562 9.981 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.081 9.107 -3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.304 9.312 -6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.791 10.217 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.657 12.148 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.290 9.682 -5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.909 10.750 -5.915 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.878 13.508 -6.893 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.241 12.905 -6.617 1.00 0.00 H new ATOM 382 N LYS A 62 -10.409 9.181 -1.122 1.00 0.00 N ATOM 383 CA LYS A 62 -10.743 8.026 -0.282 1.00 0.00 C ATOM 384 C LYS A 62 -9.691 6.917 -0.389 1.00 0.00 C ATOM 385 O LYS A 62 -9.354 6.281 0.609 1.00 0.00 O ATOM 386 CB LYS A 62 -12.133 7.473 -0.639 1.00 0.00 C ATOM 387 CG LYS A 62 -12.303 7.105 -2.107 1.00 0.00 C ATOM 388 CD LYS A 62 -13.767 6.937 -2.476 1.00 0.00 C ATOM 389 CE LYS A 62 -14.521 8.255 -2.376 1.00 0.00 C ATOM 390 NZ LYS A 62 -15.944 8.115 -2.780 1.00 0.00 N ATOM 0 H LYS A 62 -9.544 9.081 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.755 8.375 0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.327 6.590 -0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.886 8.215 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.857 7.879 -2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.766 6.179 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.845 6.548 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.228 6.202 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.470 8.625 -1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.036 8.999 -3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.421 9.036 -2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.994 7.787 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.414 7.425 -2.161 1.00 0.00 H new ATOM 404 N GLY A 63 -9.195 6.673 -1.597 1.00 0.00 N ATOM 405 CA GLY A 63 -8.229 5.605 -1.803 1.00 0.00 C ATOM 406 C GLY A 63 -7.183 5.960 -2.842 1.00 0.00 C ATOM 407 O GLY A 63 -7.309 6.976 -3.531 1.00 0.00 O ATOM 0 H GLY A 63 -9.443 7.194 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.735 5.379 -0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.753 4.701 -2.114 1.00 0.00 H new ATOM 411 N SER A 64 -6.117 5.171 -2.907 1.00 0.00 N ATOM 412 CA SER A 64 -5.000 5.464 -3.793 1.00 0.00 C ATOM 413 C SER A 64 -4.539 4.212 -4.537 1.00 0.00 C ATOM 414 O SER A 64 -4.574 3.105 -4.000 1.00 0.00 O ATOM 415 CB SER A 64 -3.844 6.037 -2.979 1.00 0.00 C ATOM 416 OG SER A 64 -4.324 6.916 -1.977 1.00 0.00 O ATOM 0 H SER A 64 -6.004 4.321 -2.354 1.00 0.00 H new ATOM 0 HA SER A 64 -5.330 6.193 -4.533 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.280 5.226 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.157 6.569 -3.638 1.00 0.00 H new ATOM 0 HG SER A 64 -4.158 7.843 -2.248 1.00 0.00 H new ATOM 422 N SER A 65 -4.118 4.396 -5.782 1.00 0.00 N ATOM 423 CA SER A 65 -3.648 3.298 -6.621 1.00 0.00 C ATOM 424 C SER A 65 -2.352 2.697 -6.070 1.00 0.00 C ATOM 425 O SER A 65 -1.639 3.346 -5.300 1.00 0.00 O ATOM 426 CB SER A 65 -3.426 3.802 -8.046 1.00 0.00 C ATOM 427 OG SER A 65 -4.541 4.555 -8.495 1.00 0.00 O ATOM 0 H SER A 65 -4.092 5.308 -6.239 1.00 0.00 H new ATOM 0 HA SER A 65 -4.407 2.516 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.527 4.418 -8.083 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.260 2.956 -8.714 1.00 0.00 H new ATOM 0 HG SER A 65 -4.377 4.869 -9.409 1.00 0.00 H new ATOM 433 N ARG A 66 -2.042 1.470 -6.490 1.00 0.00 N ATOM 434 CA ARG A 66 -0.823 0.781 -6.055 1.00 0.00 C ATOM 435 C ARG A 66 0.442 1.618 -6.317 1.00 0.00 C ATOM 436 O ARG A 66 1.247 1.797 -5.405 1.00 0.00 O ATOM 437 CB ARG A 66 -0.677 -0.581 -6.744 1.00 0.00 C ATOM 438 CG ARG A 66 -1.653 -1.640 -6.260 1.00 0.00 C ATOM 439 CD ARG A 66 -1.339 -2.991 -6.886 1.00 0.00 C ATOM 440 NE ARG A 66 -1.289 -2.914 -8.345 1.00 0.00 N ATOM 441 CZ ARG A 66 -0.649 -3.789 -9.122 1.00 0.00 C ATOM 442 NH1 ARG A 66 0.021 -4.806 -8.593 1.00 0.00 N ATOM 443 NH2 ARG A 66 -0.671 -3.637 -10.436 1.00 0.00 N ATOM 0 H ARG A 66 -2.620 0.930 -7.134 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.924 0.634 -4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.809 -0.447 -7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.339 -0.944 -6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.604 -1.717 -5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.671 -1.345 -6.513 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.383 -3.354 -6.508 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.096 -3.716 -6.586 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.775 -2.141 -8.798 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.051 -4.926 -7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.506 -5.468 -9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.176 -2.853 -10.850 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.183 -4.303 -11.035 1.00 0.00 H new ATOM 457 N PRO A 67 0.666 2.116 -7.562 1.00 0.00 N ATOM 458 CA PRO A 67 1.871 2.895 -7.892 1.00 0.00 C ATOM 459 C PRO A 67 2.055 4.101 -6.977 1.00 0.00 C ATOM 460 O PRO A 67 3.176 4.461 -6.622 1.00 0.00 O ATOM 461 CB PRO A 67 1.639 3.354 -9.340 1.00 0.00 C ATOM 462 CG PRO A 67 0.195 3.102 -9.613 1.00 0.00 C ATOM 463 CD PRO A 67 -0.188 1.936 -8.751 1.00 0.00 C ATOM 0 HA PRO A 67 2.775 2.298 -7.766 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.882 4.410 -9.461 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.272 2.800 -10.033 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.407 3.979 -9.374 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.030 2.880 -10.667 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.247 1.953 -8.495 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.005 0.985 -9.248 1.00 0.00 H new ATOM 471 N ALA A 68 0.942 4.685 -6.549 1.00 0.00 N ATOM 472 CA ALA A 68 0.970 5.814 -5.630 1.00 0.00 C ATOM 473 C ALA A 68 1.586 5.404 -4.294 1.00 0.00 C ATOM 474 O ALA A 68 2.450 6.101 -3.755 1.00 0.00 O ATOM 475 CB ALA A 68 -0.434 6.357 -5.428 1.00 0.00 C ATOM 0 H ALA A 68 0.005 4.393 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 68 1.589 6.600 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.402 7.201 -4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.838 6.685 -6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.071 5.575 -5.014 1.00 0.00 H new ATOM 481 N LEU A 69 1.181 4.241 -3.804 1.00 0.00 N ATOM 482 CA LEU A 69 1.720 3.690 -2.566 1.00 0.00 C ATOM 483 C LEU A 69 3.185 3.311 -2.719 1.00 0.00 C ATOM 484 O LEU A 69 3.999 3.601 -1.844 1.00 0.00 O ATOM 485 CB LEU A 69 0.917 2.461 -2.143 1.00 0.00 C ATOM 486 CG LEU A 69 -0.399 2.758 -1.436 1.00 0.00 C ATOM 487 CD1 LEU A 69 -1.233 1.492 -1.326 1.00 0.00 C ATOM 488 CD2 LEU A 69 -0.128 3.341 -0.054 1.00 0.00 C ATOM 0 H LEU A 69 0.474 3.655 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 69 1.642 4.461 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.708 1.861 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.536 1.852 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.958 3.490 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.171 1.717 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.443 1.107 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.683 0.743 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.074 3.550 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.443 2.625 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.442 4.265 -0.154 1.00 0.00 H new ATOM 500 N LYS A 70 3.503 2.612 -3.804 1.00 0.00 N ATOM 501 CA LYS A 70 4.861 2.123 -4.021 1.00 0.00 C ATOM 502 C LYS A 70 5.853 3.276 -4.110 1.00 0.00 C ATOM 503 O LYS A 70 6.945 3.208 -3.545 1.00 0.00 O ATOM 504 CB LYS A 70 4.943 1.263 -5.286 1.00 0.00 C ATOM 505 CG LYS A 70 3.944 0.115 -5.313 1.00 0.00 C ATOM 506 CD LYS A 70 4.272 -0.923 -6.383 1.00 0.00 C ATOM 507 CE LYS A 70 4.058 -0.395 -7.794 1.00 0.00 C ATOM 508 NZ LYS A 70 5.184 0.457 -8.266 1.00 0.00 N ATOM 0 H LYS A 70 2.843 2.372 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 70 5.124 1.504 -3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.777 1.897 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.951 0.858 -5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.925 -0.369 -4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.945 0.512 -5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.309 -1.240 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.650 -1.805 -6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.933 -1.235 -8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.134 0.182 -7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.874 1.449 -8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.983 0.373 -7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.482 0.145 -9.212 1.00 0.00 H new ATOM 522 N LYS A 71 5.445 4.359 -4.760 1.00 0.00 N ATOM 523 CA LYS A 71 6.285 5.538 -4.868 1.00 0.00 C ATOM 524 C LYS A 71 6.460 6.171 -3.504 1.00 0.00 C ATOM 525 O LYS A 71 7.578 6.450 -3.073 1.00 0.00 O ATOM 526 CB LYS A 71 5.665 6.555 -5.820 1.00 0.00 C ATOM 527 CG LYS A 71 6.479 7.833 -5.940 1.00 0.00 C ATOM 528 CD LYS A 71 5.836 8.823 -6.891 1.00 0.00 C ATOM 529 CE LYS A 71 6.684 10.078 -7.034 1.00 0.00 C ATOM 530 NZ LYS A 71 6.782 10.842 -5.762 1.00 0.00 N ATOM 0 H LYS A 71 4.538 4.442 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 71 7.255 5.233 -5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.561 6.104 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.661 6.802 -5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.585 8.290 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.483 7.593 -6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.702 8.358 -7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.844 9.090 -6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.684 9.802 -7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.256 10.717 -7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.426 11.808 -5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.213 10.371 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.775 10.882 -5.457 1.00 0.00 H new ATOM 544 N PHE A 72 5.336 6.364 -2.829 1.00 0.00 N ATOM 545 CA PHE A 72 5.311 6.951 -1.496 1.00 0.00 C ATOM 546 C PHE A 72 6.290 6.233 -0.570 1.00 0.00 C ATOM 547 O PHE A 72 7.030 6.870 0.187 1.00 0.00 O ATOM 548 CB PHE A 72 3.897 6.864 -0.917 1.00 0.00 C ATOM 549 CG PHE A 72 3.765 7.484 0.441 1.00 0.00 C ATOM 550 CD1 PHE A 72 3.440 8.821 0.575 1.00 0.00 C ATOM 551 CD2 PHE A 72 3.988 6.730 1.578 1.00 0.00 C ATOM 552 CE1 PHE A 72 3.330 9.399 1.827 1.00 0.00 C ATOM 553 CE2 PHE A 72 3.883 7.300 2.832 1.00 0.00 C ATOM 554 CZ PHE A 72 3.557 8.638 2.957 1.00 0.00 C ATOM 0 H PHE A 72 4.414 6.118 -3.190 1.00 0.00 H new ATOM 0 HA PHE A 72 5.610 7.996 -1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.203 7.354 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.601 5.817 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.270 9.421 -0.307 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.247 5.686 1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.067 10.442 1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.055 6.701 3.714 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.480 9.087 3.936 1.00 0.00 H new ATOM 564 N ILE A 73 6.276 4.907 -0.625 1.00 0.00 N ATOM 565 CA ILE A 73 7.148 4.102 0.212 1.00 0.00 C ATOM 566 C ILE A 73 8.610 4.339 -0.139 1.00 0.00 C ATOM 567 O ILE A 73 9.435 4.527 0.742 1.00 0.00 O ATOM 568 CB ILE A 73 6.822 2.598 0.102 1.00 0.00 C ATOM 569 CG1 ILE A 73 5.420 2.320 0.652 1.00 0.00 C ATOM 570 CG2 ILE A 73 7.860 1.771 0.845 1.00 0.00 C ATOM 571 CD1 ILE A 73 5.012 0.865 0.573 1.00 0.00 C ATOM 0 H ILE A 73 5.668 4.368 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 73 6.974 4.413 1.242 1.00 0.00 H new ATOM 0 HB ILE A 73 6.847 2.312 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.377 2.644 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.697 2.921 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.614 0.713 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.845 1.951 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.866 2.055 1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.008 0.746 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.022 0.540 -0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.712 0.259 1.149 1.00 0.00 H new ATOM 583 N LYS A 74 8.920 4.382 -1.426 1.00 0.00 N ATOM 584 CA LYS A 74 10.288 4.627 -1.868 1.00 0.00 C ATOM 585 C LYS A 74 10.770 6.015 -1.456 1.00 0.00 C ATOM 586 O LYS A 74 11.954 6.214 -1.193 1.00 0.00 O ATOM 587 CB LYS A 74 10.407 4.460 -3.380 1.00 0.00 C ATOM 588 CG LYS A 74 10.091 3.053 -3.853 1.00 0.00 C ATOM 589 CD LYS A 74 10.428 2.872 -5.320 1.00 0.00 C ATOM 590 CE LYS A 74 10.147 1.454 -5.782 1.00 0.00 C ATOM 591 NZ LYS A 74 10.679 1.194 -7.145 1.00 0.00 N ATOM 0 H LYS A 74 8.247 4.251 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 74 10.924 3.888 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.732 5.161 -3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.419 4.722 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.653 2.333 -3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.034 2.843 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.846 3.573 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.479 3.109 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.592 0.749 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.072 1.277 -5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.465 0.214 -7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.236 1.848 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.709 1.337 -7.149 1.00 0.00 H new ATOM 605 N GLU A 75 9.862 6.977 -1.450 1.00 0.00 N ATOM 606 CA GLU A 75 10.204 8.352 -1.105 1.00 0.00 C ATOM 607 C GLU A 75 10.536 8.483 0.383 1.00 0.00 C ATOM 608 O GLU A 75 11.400 9.270 0.772 1.00 0.00 O ATOM 609 CB GLU A 75 9.043 9.287 -1.459 1.00 0.00 C ATOM 610 CG GLU A 75 8.645 9.254 -2.929 1.00 0.00 C ATOM 611 CD GLU A 75 9.644 9.932 -3.840 1.00 0.00 C ATOM 612 OE1 GLU A 75 10.826 9.524 -3.829 1.00 0.00 O ATOM 613 OE2 GLU A 75 9.264 10.881 -4.557 1.00 0.00 O ATOM 0 H GLU A 75 8.879 6.833 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 75 11.087 8.633 -1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.177 9.020 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.317 10.307 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.526 8.217 -3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.674 9.736 -3.045 1.00 0.00 H new ATOM 620 N ASN A 76 9.750 7.816 1.218 1.00 0.00 N ATOM 621 CA ASN A 76 9.852 7.988 2.667 1.00 0.00 C ATOM 622 C ASN A 76 10.638 6.864 3.337 1.00 0.00 C ATOM 623 O ASN A 76 11.302 7.082 4.350 1.00 0.00 O ATOM 624 CB ASN A 76 8.455 8.094 3.274 1.00 0.00 C ATOM 625 CG ASN A 76 7.750 9.368 2.853 1.00 0.00 C ATOM 626 OD1 ASN A 76 8.135 10.467 3.252 1.00 0.00 O ATOM 627 ND2 ASN A 76 6.739 9.234 2.013 1.00 0.00 N ATOM 0 H ASN A 76 9.035 7.152 0.921 1.00 0.00 H new ATOM 0 HA ASN A 76 10.404 8.910 2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.861 7.233 2.969 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.528 8.062 4.361 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.247 10.060 1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.451 8.305 1.706 1.00 0.00 H new ATOM 634 N TYR A 77 10.534 5.658 2.798 1.00 0.00 N ATOM 635 CA TYR A 77 11.219 4.499 3.362 1.00 0.00 C ATOM 636 C TYR A 77 11.994 3.744 2.278 1.00 0.00 C ATOM 637 O TYR A 77 11.647 2.613 1.931 1.00 0.00 O ATOM 638 CB TYR A 77 10.220 3.541 4.029 1.00 0.00 C ATOM 639 CG TYR A 77 9.407 4.150 5.152 1.00 0.00 C ATOM 640 CD1 TYR A 77 8.306 4.954 4.883 1.00 0.00 C ATOM 641 CD2 TYR A 77 9.729 3.905 6.481 1.00 0.00 C ATOM 642 CE1 TYR A 77 7.554 5.502 5.904 1.00 0.00 C ATOM 643 CE2 TYR A 77 8.981 4.447 7.509 1.00 0.00 C ATOM 644 CZ TYR A 77 7.896 5.246 7.216 1.00 0.00 C ATOM 645 OH TYR A 77 7.151 5.794 8.237 1.00 0.00 O ATOM 0 H TYR A 77 9.979 5.454 1.967 1.00 0.00 H new ATOM 0 HA TYR A 77 11.918 4.866 4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 77 9.537 3.164 3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.767 2.683 4.420 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.033 5.154 3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.578 3.280 6.715 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.703 6.127 5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.245 4.246 8.537 1.00 0.00 H new ATOM 0 HH TYR A 77 7.523 5.515 9.100 1.00 0.00 H new ATOM 655 N PRO A 78 13.058 4.359 1.723 1.00 0.00 N ATOM 656 CA PRO A 78 13.874 3.754 0.654 1.00 0.00 C ATOM 657 C PRO A 78 14.479 2.412 1.054 1.00 0.00 C ATOM 658 O PRO A 78 14.860 1.617 0.194 1.00 0.00 O ATOM 659 CB PRO A 78 14.981 4.781 0.418 1.00 0.00 C ATOM 660 CG PRO A 78 14.421 6.065 0.913 1.00 0.00 C ATOM 661 CD PRO A 78 13.543 5.705 2.073 1.00 0.00 C ATOM 0 HA PRO A 78 13.272 3.539 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.890 4.513 0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.243 4.845 -0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.215 6.746 1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 78 13.851 6.570 0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 78 14.097 5.702 3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.721 6.411 2.190 1.00 0.00 H new ATOM 669 N ILE A 79 14.551 2.168 2.359 1.00 0.00 N ATOM 670 CA ILE A 79 15.048 0.901 2.899 1.00 0.00 C ATOM 671 C ILE A 79 14.326 -0.257 2.242 1.00 0.00 C ATOM 672 O ILE A 79 14.922 -1.128 1.607 1.00 0.00 O ATOM 673 CB ILE A 79 14.771 0.788 4.417 1.00 0.00 C ATOM 674 CG1 ILE A 79 15.232 2.043 5.173 1.00 0.00 C ATOM 675 CG2 ILE A 79 15.448 -0.450 4.992 1.00 0.00 C ATOM 676 CD1 ILE A 79 14.210 3.160 5.215 1.00 0.00 C ATOM 0 H ILE A 79 14.268 2.839 3.073 1.00 0.00 H new ATOM 0 HA ILE A 79 16.120 0.871 2.707 1.00 0.00 H new ATOM 0 HB ILE A 79 13.693 0.697 4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.488 1.763 6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 79 16.143 2.418 4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.243 -0.514 6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 79 15.062 -1.340 4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.524 -0.383 4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.618 4.006 5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 79 13.970 3.472 4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.305 2.807 5.709 1.00 0.00 H new ATOM 688 N VAL A 80 13.020 -0.206 2.380 1.00 0.00 N ATOM 689 CA VAL A 80 12.130 -1.183 1.805 1.00 0.00 C ATOM 690 C VAL A 80 11.813 -0.811 0.366 1.00 0.00 C ATOM 691 O VAL A 80 11.625 -1.676 -0.485 1.00 0.00 O ATOM 692 CB VAL A 80 10.847 -1.257 2.646 1.00 0.00 C ATOM 693 CG1 VAL A 80 9.624 -1.089 1.798 1.00 0.00 C ATOM 694 CG2 VAL A 80 10.774 -2.551 3.425 1.00 0.00 C ATOM 0 H VAL A 80 12.542 0.527 2.903 1.00 0.00 H new ATOM 0 HA VAL A 80 12.608 -2.163 1.805 1.00 0.00 H new ATOM 0 HB VAL A 80 10.882 -0.431 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.735 -1.147 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.656 -0.119 1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.590 -1.879 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.854 -2.572 4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.784 -3.393 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.631 -2.622 4.094 1.00 0.00 H new ATOM 704 N GLY A 81 11.707 0.487 0.118 1.00 0.00 N ATOM 705 CA GLY A 81 11.366 0.961 -1.202 1.00 0.00 C ATOM 706 C GLY A 81 12.277 0.395 -2.276 1.00 0.00 C ATOM 707 O GLY A 81 11.819 -0.008 -3.345 1.00 0.00 O ATOM 0 H GLY A 81 11.852 1.220 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.334 0.691 -1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.422 2.049 -1.219 1.00 0.00 H new ATOM 711 N SER A 82 13.565 0.314 -1.969 1.00 0.00 N ATOM 712 CA SER A 82 14.531 -0.251 -2.893 1.00 0.00 C ATOM 713 C SER A 82 14.901 -1.679 -2.474 1.00 0.00 C ATOM 714 O SER A 82 15.986 -2.171 -2.793 1.00 0.00 O ATOM 715 CB SER A 82 15.779 0.638 -2.951 1.00 0.00 C ATOM 716 OG SER A 82 16.497 0.453 -4.162 1.00 0.00 O ATOM 0 H SER A 82 13.962 0.634 -1.086 1.00 0.00 H new ATOM 0 HA SER A 82 14.087 -0.294 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.486 1.684 -2.857 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.427 0.411 -2.105 1.00 0.00 H new ATOM 0 HG SER A 82 16.704 -0.498 -4.278 1.00 0.00 H new ATOM 722 N ALA A 83 13.959 -2.372 -1.843 1.00 0.00 N ATOM 723 CA ALA A 83 14.160 -3.765 -1.471 1.00 0.00 C ATOM 724 C ALA A 83 14.051 -4.652 -2.704 1.00 0.00 C ATOM 725 O ALA A 83 13.364 -4.302 -3.667 1.00 0.00 O ATOM 726 CB ALA A 83 13.165 -4.197 -0.400 1.00 0.00 C ATOM 0 H ALA A 83 13.050 -1.991 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 83 15.160 -3.871 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.339 -5.242 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.294 -3.578 0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.150 -4.081 -0.779 1.00 0.00 H new ATOM 732 N SER A 84 14.835 -5.722 -2.724 1.00 0.00 N ATOM 733 CA SER A 84 14.929 -6.591 -3.890 1.00 0.00 C ATOM 734 C SER A 84 13.578 -7.198 -4.266 1.00 0.00 C ATOM 735 O SER A 84 13.273 -7.361 -5.445 1.00 0.00 O ATOM 736 CB SER A 84 15.946 -7.701 -3.622 1.00 0.00 C ATOM 737 OG SER A 84 17.162 -7.164 -3.116 1.00 0.00 O ATOM 0 H SER A 84 15.419 -6.011 -1.939 1.00 0.00 H new ATOM 0 HA SER A 84 15.257 -5.982 -4.733 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.533 -8.413 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.142 -8.250 -4.543 1.00 0.00 H new ATOM 0 HG SER A 84 17.797 -7.892 -2.950 1.00 0.00 H new ATOM 743 N ASN A 85 12.775 -7.539 -3.272 1.00 0.00 N ATOM 744 CA ASN A 85 11.470 -8.123 -3.533 1.00 0.00 C ATOM 745 C ASN A 85 10.376 -7.203 -3.029 1.00 0.00 C ATOM 746 O ASN A 85 9.319 -7.657 -2.595 1.00 0.00 O ATOM 747 CB ASN A 85 11.342 -9.491 -2.863 1.00 0.00 C ATOM 748 CG ASN A 85 12.395 -10.478 -3.327 1.00 0.00 C ATOM 749 OD1 ASN A 85 12.487 -10.799 -4.514 1.00 0.00 O ATOM 750 ND2 ASN A 85 13.192 -10.970 -2.392 1.00 0.00 N ATOM 0 H ASN A 85 13.001 -7.423 -2.284 1.00 0.00 H new ATOM 0 HA ASN A 85 11.365 -8.252 -4.610 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.417 -9.369 -1.782 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.353 -9.900 -3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.917 -11.642 -2.642 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.081 -10.677 -1.421 1.00 0.00 H new ATOM 757 N PHE A 86 10.637 -5.905 -3.096 1.00 0.00 N ATOM 758 CA PHE A 86 9.694 -4.897 -2.628 1.00 0.00 C ATOM 759 C PHE A 86 8.342 -5.042 -3.311 1.00 0.00 C ATOM 760 O PHE A 86 7.301 -4.999 -2.661 1.00 0.00 O ATOM 761 CB PHE A 86 10.242 -3.494 -2.897 1.00 0.00 C ATOM 762 CG PHE A 86 9.249 -2.407 -2.613 1.00 0.00 C ATOM 763 CD1 PHE A 86 8.706 -2.273 -1.351 1.00 0.00 C ATOM 764 CD2 PHE A 86 8.845 -1.535 -3.611 1.00 0.00 C ATOM 765 CE1 PHE A 86 7.779 -1.291 -1.080 1.00 0.00 C ATOM 766 CE2 PHE A 86 7.916 -0.547 -3.347 1.00 0.00 C ATOM 767 CZ PHE A 86 7.383 -0.424 -2.079 1.00 0.00 C ATOM 0 H PHE A 86 11.503 -5.522 -3.474 1.00 0.00 H new ATOM 0 HA PHE A 86 9.562 -5.044 -1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.130 -3.335 -2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.556 -3.427 -3.939 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.012 -2.948 -0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.260 -1.628 -4.604 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.363 -1.199 -0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.607 0.128 -4.131 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.658 0.349 -1.869 1.00 0.00 H new ATOM 777 N ASP A 87 8.374 -5.163 -4.627 1.00 0.00 N ATOM 778 CA ASP A 87 7.148 -5.229 -5.423 1.00 0.00 C ATOM 779 C ASP A 87 6.304 -6.439 -5.042 1.00 0.00 C ATOM 780 O ASP A 87 5.090 -6.334 -4.856 1.00 0.00 O ATOM 781 CB ASP A 87 7.477 -5.269 -6.917 1.00 0.00 C ATOM 782 CG ASP A 87 7.899 -3.917 -7.453 1.00 0.00 C ATOM 783 OD1 ASP A 87 7.043 -3.007 -7.530 1.00 0.00 O ATOM 784 OD2 ASP A 87 9.084 -3.760 -7.806 1.00 0.00 O ATOM 0 H ASP A 87 9.234 -5.218 -5.173 1.00 0.00 H new ATOM 0 HA ASP A 87 6.569 -4.330 -5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.275 -5.991 -7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.605 -5.619 -7.469 1.00 0.00 H new ATOM 789 N LEU A 88 6.959 -7.580 -4.886 1.00 0.00 N ATOM 790 CA LEU A 88 6.282 -8.810 -4.498 1.00 0.00 C ATOM 791 C LEU A 88 5.731 -8.680 -3.081 1.00 0.00 C ATOM 792 O LEU A 88 4.569 -9.005 -2.815 1.00 0.00 O ATOM 793 CB LEU A 88 7.257 -9.999 -4.614 1.00 0.00 C ATOM 794 CG LEU A 88 6.696 -11.395 -4.294 1.00 0.00 C ATOM 795 CD1 LEU A 88 6.863 -11.727 -2.822 1.00 0.00 C ATOM 796 CD2 LEU A 88 5.233 -11.495 -4.692 1.00 0.00 C ATOM 0 H LEU A 88 7.965 -7.680 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 88 5.442 -8.991 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.650 -10.017 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.100 -9.812 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 88 7.264 -12.121 -4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.458 -12.719 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.922 -11.709 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.330 -10.991 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.859 -12.491 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.655 -10.751 -4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.134 -11.315 -5.762 1.00 0.00 H new ATOM 808 N TYR A 89 6.559 -8.176 -2.186 1.00 0.00 N ATOM 809 CA TYR A 89 6.172 -7.994 -0.799 1.00 0.00 C ATOM 810 C TYR A 89 5.010 -7.010 -0.674 1.00 0.00 C ATOM 811 O TYR A 89 4.086 -7.229 0.109 1.00 0.00 O ATOM 812 CB TYR A 89 7.366 -7.507 0.016 1.00 0.00 C ATOM 813 CG TYR A 89 8.383 -8.578 0.350 1.00 0.00 C ATOM 814 CD1 TYR A 89 8.514 -9.719 -0.429 1.00 0.00 C ATOM 815 CD2 TYR A 89 9.225 -8.437 1.443 1.00 0.00 C ATOM 816 CE1 TYR A 89 9.452 -10.685 -0.131 1.00 0.00 C ATOM 817 CE2 TYR A 89 10.167 -9.399 1.749 1.00 0.00 C ATOM 818 CZ TYR A 89 10.275 -10.522 0.959 1.00 0.00 C ATOM 819 OH TYR A 89 11.213 -11.482 1.259 1.00 0.00 O ATOM 0 H TYR A 89 7.513 -7.883 -2.397 1.00 0.00 H new ATOM 0 HA TYR A 89 5.840 -8.956 -0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.865 -6.711 -0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.000 -7.070 0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.869 -9.853 -1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.142 -7.559 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.540 -11.565 -0.750 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.816 -9.272 2.603 1.00 0.00 H new ATOM 0 HH TYR A 89 11.712 -11.213 2.058 1.00 0.00 H new ATOM 829 N PHE A 90 5.053 -5.945 -1.468 1.00 0.00 N ATOM 830 CA PHE A 90 4.000 -4.935 -1.470 1.00 0.00 C ATOM 831 C PHE A 90 2.654 -5.554 -1.829 1.00 0.00 C ATOM 832 O PHE A 90 1.656 -5.343 -1.139 1.00 0.00 O ATOM 833 CB PHE A 90 4.336 -3.825 -2.469 1.00 0.00 C ATOM 834 CG PHE A 90 3.230 -2.821 -2.639 1.00 0.00 C ATOM 835 CD1 PHE A 90 2.909 -1.949 -1.612 1.00 0.00 C ATOM 836 CD2 PHE A 90 2.499 -2.762 -3.818 1.00 0.00 C ATOM 837 CE1 PHE A 90 1.886 -1.035 -1.756 1.00 0.00 C ATOM 838 CE2 PHE A 90 1.471 -1.851 -3.965 1.00 0.00 C ATOM 839 CZ PHE A 90 1.164 -0.988 -2.933 1.00 0.00 C ATOM 0 H PHE A 90 5.812 -5.758 -2.123 1.00 0.00 H new ATOM 0 HA PHE A 90 3.934 -4.513 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.237 -3.309 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.562 -4.273 -3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 90 3.466 -1.985 -0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.737 -3.435 -4.628 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.650 -0.357 -0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.908 -1.814 -4.886 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.360 -0.276 -3.045 1.00 0.00 H new ATOM 849 N ASN A 91 2.630 -6.301 -2.925 1.00 0.00 N ATOM 850 CA ASN A 91 1.400 -6.920 -3.404 1.00 0.00 C ATOM 851 C ASN A 91 0.833 -7.899 -2.385 1.00 0.00 C ATOM 852 O ASN A 91 -0.379 -7.944 -2.165 1.00 0.00 O ATOM 853 CB ASN A 91 1.637 -7.610 -4.746 1.00 0.00 C ATOM 854 CG ASN A 91 1.592 -6.627 -5.900 1.00 0.00 C ATOM 855 OD1 ASN A 91 0.542 -6.054 -6.198 1.00 0.00 O ATOM 856 ND2 ASN A 91 2.732 -6.401 -6.532 1.00 0.00 N ATOM 0 H ASN A 91 3.450 -6.494 -3.500 1.00 0.00 H new ATOM 0 HA ASN A 91 0.662 -6.130 -3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.606 -8.110 -4.732 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.882 -8.382 -4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.765 -5.730 -7.299 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.578 -6.898 -6.252 1.00 0.00 H new ATOM 863 N ASN A 92 1.712 -8.639 -1.721 1.00 0.00 N ATOM 864 CA ASN A 92 1.287 -9.554 -0.664 1.00 0.00 C ATOM 865 C ASN A 92 0.741 -8.792 0.534 1.00 0.00 C ATOM 866 O ASN A 92 -0.221 -9.230 1.170 1.00 0.00 O ATOM 867 CB ASN A 92 2.430 -10.465 -0.214 1.00 0.00 C ATOM 868 CG ASN A 92 2.542 -11.718 -1.060 1.00 0.00 C ATOM 869 OD1 ASN A 92 1.557 -12.424 -1.275 1.00 0.00 O ATOM 870 ND2 ASN A 92 3.743 -12.019 -1.524 1.00 0.00 N ATOM 0 H ASN A 92 2.717 -8.626 -1.892 1.00 0.00 H new ATOM 0 HA ASN A 92 0.494 -10.174 -1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.369 -9.914 -0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.277 -10.747 0.828 1.00 0.00 H new ATOM 0 HD21 ASN A 92 3.878 -12.862 -2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.535 -11.408 -1.324 1.00 0.00 H new ATOM 877 N ALA A 93 1.356 -7.654 0.837 1.00 0.00 N ATOM 878 CA ALA A 93 0.934 -6.827 1.960 1.00 0.00 C ATOM 879 C ALA A 93 -0.493 -6.328 1.764 1.00 0.00 C ATOM 880 O ALA A 93 -1.310 -6.394 2.684 1.00 0.00 O ATOM 881 CB ALA A 93 1.885 -5.657 2.147 1.00 0.00 C ATOM 0 H ALA A 93 2.152 -7.283 0.318 1.00 0.00 H new ATOM 0 HA ALA A 93 0.958 -7.441 2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.554 -5.050 2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.890 -6.032 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.894 -5.048 1.243 1.00 0.00 H new ATOM 887 N ILE A 94 -0.798 -5.878 0.548 1.00 0.00 N ATOM 888 CA ILE A 94 -2.143 -5.411 0.223 1.00 0.00 C ATOM 889 C ILE A 94 -3.155 -6.522 0.455 1.00 0.00 C ATOM 890 O ILE A 94 -4.163 -6.335 1.138 1.00 0.00 O ATOM 891 CB ILE A 94 -2.255 -4.952 -1.249 1.00 0.00 C ATOM 892 CG1 ILE A 94 -1.215 -3.877 -1.569 1.00 0.00 C ATOM 893 CG2 ILE A 94 -3.658 -4.430 -1.534 1.00 0.00 C ATOM 894 CD1 ILE A 94 -1.390 -2.611 -0.766 1.00 0.00 C ATOM 0 H ILE A 94 -0.134 -5.827 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.349 -4.561 0.874 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.061 -5.813 -1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.219 -4.280 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.269 -3.635 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.723 -4.110 -2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.385 -5.222 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.871 -3.584 -0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.618 -1.894 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.372 -2.184 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.306 -2.839 0.296 1.00 0.00 H new ATOM 906 N LYS A 95 -2.860 -7.680 -0.119 1.00 0.00 N ATOM 907 CA LYS A 95 -3.737 -8.844 -0.027 1.00 0.00 C ATOM 908 C LYS A 95 -3.979 -9.257 1.423 1.00 0.00 C ATOM 909 O LYS A 95 -5.110 -9.553 1.808 1.00 0.00 O ATOM 910 CB LYS A 95 -3.153 -10.019 -0.811 1.00 0.00 C ATOM 911 CG LYS A 95 -3.021 -9.762 -2.300 1.00 0.00 C ATOM 912 CD LYS A 95 -2.554 -11.008 -3.031 1.00 0.00 C ATOM 913 CE LYS A 95 -2.353 -10.750 -4.515 1.00 0.00 C ATOM 914 NZ LYS A 95 -1.210 -9.835 -4.770 1.00 0.00 N ATOM 0 H LYS A 95 -2.010 -7.841 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.696 -8.562 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.170 -10.260 -0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.784 -10.894 -0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.981 -9.439 -2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.314 -8.950 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.619 -11.357 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.286 -11.804 -2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.181 -11.696 -5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.262 -10.320 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.546 -8.994 -5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.789 -9.544 -3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.494 -10.326 -5.343 1.00 0.00 H new ATOM 928 N LYS A 96 -2.925 -9.263 2.230 1.00 0.00 N ATOM 929 CA LYS A 96 -3.064 -9.620 3.635 1.00 0.00 C ATOM 930 C LYS A 96 -3.861 -8.549 4.360 1.00 0.00 C ATOM 931 O LYS A 96 -4.739 -8.845 5.168 1.00 0.00 O ATOM 932 CB LYS A 96 -1.689 -9.792 4.296 1.00 0.00 C ATOM 933 CG LYS A 96 -1.721 -10.566 5.615 1.00 0.00 C ATOM 934 CD LYS A 96 -2.249 -9.738 6.786 1.00 0.00 C ATOM 935 CE LYS A 96 -1.369 -8.533 7.090 1.00 0.00 C ATOM 936 NZ LYS A 96 -1.828 -7.798 8.303 1.00 0.00 N ATOM 0 H LYS A 96 -1.976 -9.028 1.940 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.593 -10.571 3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.026 -10.307 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.259 -8.807 4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.345 -11.452 5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.715 -10.914 5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.260 -9.398 6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.315 -10.369 7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.340 -8.863 7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.371 -7.858 6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.003 -7.438 8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.432 -7.001 8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.370 -8.441 8.914 1.00 0.00 H new ATOM 950 N GLY A 97 -3.535 -7.301 4.084 1.00 0.00 N ATOM 951 CA GLY A 97 -4.201 -6.205 4.745 1.00 0.00 C ATOM 952 C GLY A 97 -5.692 -6.176 4.479 1.00 0.00 C ATOM 953 O GLY A 97 -6.483 -5.965 5.395 1.00 0.00 O ATOM 0 H GLY A 97 -2.819 -7.026 3.412 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.030 -6.277 5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.759 -5.265 4.414 1.00 0.00 H new ATOM 957 N VAL A 98 -6.080 -6.350 3.226 1.00 0.00 N ATOM 958 CA VAL A 98 -7.489 -6.280 2.858 1.00 0.00 C ATOM 959 C VAL A 98 -8.298 -7.418 3.482 1.00 0.00 C ATOM 960 O VAL A 98 -9.460 -7.230 3.840 1.00 0.00 O ATOM 961 CB VAL A 98 -7.696 -6.256 1.326 1.00 0.00 C ATOM 962 CG1 VAL A 98 -7.043 -5.023 0.722 1.00 0.00 C ATOM 963 CG2 VAL A 98 -7.156 -7.517 0.673 1.00 0.00 C ATOM 0 H VAL A 98 -5.446 -6.540 2.450 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.858 -5.336 3.260 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.768 -6.216 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.198 -5.021 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -7.488 -4.127 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.974 -5.036 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.318 -7.467 -0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.089 -7.603 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.674 -8.387 1.078 1.00 0.00 H new ATOM 973 N GLU A 99 -7.683 -8.588 3.634 1.00 0.00 N ATOM 974 CA GLU A 99 -8.369 -9.725 4.239 1.00 0.00 C ATOM 975 C GLU A 99 -8.424 -9.575 5.759 1.00 0.00 C ATOM 976 O GLU A 99 -9.424 -9.916 6.391 1.00 0.00 O ATOM 977 CB GLU A 99 -7.696 -11.047 3.841 1.00 0.00 C ATOM 978 CG GLU A 99 -6.288 -11.235 4.373 1.00 0.00 C ATOM 979 CD GLU A 99 -6.232 -12.135 5.595 1.00 0.00 C ATOM 980 OE1 GLU A 99 -7.305 -12.575 6.066 1.00 0.00 O ATOM 981 OE2 GLU A 99 -5.119 -12.401 6.099 1.00 0.00 O ATOM 0 H GLU A 99 -6.721 -8.772 3.350 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.392 -9.744 3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.315 -11.873 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.669 -11.110 2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.662 -11.658 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -5.868 -10.262 4.626 1.00 0.00 H new ATOM 988 N ALA A 100 -7.321 -9.120 6.339 1.00 0.00 N ATOM 989 CA ALA A 100 -7.207 -8.984 7.786 1.00 0.00 C ATOM 990 C ALA A 100 -8.097 -7.867 8.320 1.00 0.00 C ATOM 991 O ALA A 100 -8.722 -8.004 9.371 1.00 0.00 O ATOM 992 CB ALA A 100 -5.762 -8.728 8.171 1.00 0.00 C ATOM 0 H ALA A 100 -6.487 -8.837 5.825 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.543 -9.918 8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.686 -8.628 9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.144 -9.562 7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.416 -7.810 7.696 1.00 0.00 H new ATOM 998 N GLY A 101 -8.106 -6.747 7.614 1.00 0.00 N ATOM 999 CA GLY A 101 -8.856 -5.588 8.057 1.00 0.00 C ATOM 1000 C GLY A 101 -7.955 -4.383 8.226 1.00 0.00 C ATOM 1001 O GLY A 101 -8.070 -3.628 9.191 1.00 0.00 O ATOM 0 H GLY A 101 -7.604 -6.619 6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.639 -5.361 7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.350 -5.811 9.003 1.00 0.00 H new ATOM 1005 N ASP A 102 -7.025 -4.236 7.298 1.00 0.00 N ATOM 1006 CA ASP A 102 -6.041 -3.168 7.334 1.00 0.00 C ATOM 1007 C ASP A 102 -6.286 -2.215 6.179 1.00 0.00 C ATOM 1008 O ASP A 102 -6.241 -0.995 6.339 1.00 0.00 O ATOM 1009 CB ASP A 102 -4.624 -3.748 7.210 1.00 0.00 C ATOM 1010 CG ASP A 102 -4.208 -4.626 8.378 1.00 0.00 C ATOM 1011 OD1 ASP A 102 -4.810 -4.489 9.465 1.00 0.00 O ATOM 1012 OD2 ASP A 102 -3.315 -5.484 8.207 1.00 0.00 O ATOM 0 H ASP A 102 -6.931 -4.857 6.495 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.132 -2.638 8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -4.561 -4.331 6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -3.914 -2.926 7.116 1.00 0.00 H new ATOM 1017 N PHE A 103 -6.586 -2.783 5.017 1.00 0.00 N ATOM 1018 CA PHE A 103 -6.866 -1.990 3.829 1.00 0.00 C ATOM 1019 C PHE A 103 -8.131 -2.500 3.144 1.00 0.00 C ATOM 1020 O PHE A 103 -8.656 -3.556 3.495 1.00 0.00 O ATOM 1021 CB PHE A 103 -5.701 -2.039 2.829 1.00 0.00 C ATOM 1022 CG PHE A 103 -4.332 -2.160 3.441 1.00 0.00 C ATOM 1023 CD1 PHE A 103 -3.732 -1.078 4.060 1.00 0.00 C ATOM 1024 CD2 PHE A 103 -3.637 -3.355 3.371 1.00 0.00 C ATOM 1025 CE1 PHE A 103 -2.467 -1.191 4.603 1.00 0.00 C ATOM 1026 CE2 PHE A 103 -2.372 -3.473 3.915 1.00 0.00 C ATOM 1027 CZ PHE A 103 -1.787 -2.390 4.532 1.00 0.00 C ATOM 0 H PHE A 103 -6.641 -3.791 4.873 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.004 -0.958 4.150 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.856 -2.883 2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.730 -1.136 2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.258 -0.136 4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.089 -4.207 2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.009 -0.339 5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.843 -4.413 3.856 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.799 -2.478 4.959 1.00 0.00 H new ATOM 1037 N GLU A 104 -8.612 -1.739 2.173 1.00 0.00 N ATOM 1038 CA GLU A 104 -9.803 -2.102 1.416 1.00 0.00 C ATOM 1039 C GLU A 104 -9.547 -1.875 -0.070 1.00 0.00 C ATOM 1040 O GLU A 104 -8.811 -0.964 -0.438 1.00 0.00 O ATOM 1041 CB GLU A 104 -10.999 -1.255 1.868 1.00 0.00 C ATOM 1042 CG GLU A 104 -11.223 -1.265 3.370 1.00 0.00 C ATOM 1043 CD GLU A 104 -12.356 -0.359 3.804 1.00 0.00 C ATOM 1044 OE1 GLU A 104 -13.524 -0.660 3.489 1.00 0.00 O ATOM 1045 OE2 GLU A 104 -12.088 0.662 4.470 1.00 0.00 O ATOM 0 H GLU A 104 -8.191 -0.855 1.887 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.030 -3.153 1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.849 -0.227 1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.899 -1.620 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.435 -2.284 3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.306 -0.956 3.871 1.00 0.00 H new ATOM 1052 N GLN A 105 -10.132 -2.709 -0.919 1.00 0.00 N ATOM 1053 CA GLN A 105 -9.966 -2.559 -2.362 1.00 0.00 C ATOM 1054 C GLN A 105 -11.312 -2.350 -3.050 1.00 0.00 C ATOM 1055 O GLN A 105 -11.911 -3.295 -3.568 1.00 0.00 O ATOM 1056 CB GLN A 105 -9.261 -3.773 -2.968 1.00 0.00 C ATOM 1057 CG GLN A 105 -7.779 -3.847 -2.645 1.00 0.00 C ATOM 1058 CD GLN A 105 -7.110 -5.056 -3.270 1.00 0.00 C ATOM 1059 OE1 GLN A 105 -7.548 -6.190 -3.087 1.00 0.00 O ATOM 1060 NE2 GLN A 105 -6.038 -4.822 -4.009 1.00 0.00 N ATOM 0 H GLN A 105 -10.722 -3.492 -0.638 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.346 -1.678 -2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.747 -4.680 -2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.387 -3.751 -4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.287 -2.940 -2.998 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.647 -3.881 -1.564 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.706 -3.866 -4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.544 -5.597 -4.451 1.00 0.00 H new ATOM 1069 N PRO A 106 -11.803 -1.102 -3.076 1.00 0.00 N ATOM 1070 CA PRO A 106 -13.084 -0.770 -3.702 1.00 0.00 C ATOM 1071 C PRO A 106 -12.995 -0.676 -5.228 1.00 0.00 C ATOM 1072 O PRO A 106 -13.615 0.186 -5.843 1.00 0.00 O ATOM 1073 CB PRO A 106 -13.414 0.593 -3.099 1.00 0.00 C ATOM 1074 CG PRO A 106 -12.088 1.217 -2.832 1.00 0.00 C ATOM 1075 CD PRO A 106 -11.149 0.088 -2.497 1.00 0.00 C ATOM 0 HA PRO A 106 -13.838 -1.535 -3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -14.005 1.198 -3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -13.996 0.491 -2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -11.736 1.770 -3.703 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -12.152 1.927 -2.008 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -10.161 0.250 -2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -11.015 -0.014 -1.420 1.00 0.00 H new ATOM 1083 N LYS A 107 -12.276 -1.606 -5.837 1.00 0.00 N ATOM 1084 CA LYS A 107 -12.174 -1.680 -7.288 1.00 0.00 C ATOM 1085 C LYS A 107 -12.073 -3.130 -7.733 1.00 0.00 C ATOM 1086 O LYS A 107 -12.798 -3.569 -8.622 1.00 0.00 O ATOM 1087 CB LYS A 107 -10.960 -0.898 -7.799 1.00 0.00 C ATOM 1088 CG LYS A 107 -11.145 0.606 -7.743 1.00 0.00 C ATOM 1089 CD LYS A 107 -10.086 1.332 -8.557 1.00 0.00 C ATOM 1090 CE LYS A 107 -10.434 2.798 -8.762 1.00 0.00 C ATOM 1091 NZ LYS A 107 -11.550 2.980 -9.728 1.00 0.00 N ATOM 0 H LYS A 107 -11.749 -2.327 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 107 -13.074 -1.232 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.086 -1.171 -7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.754 -1.193 -8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -12.135 0.865 -8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.100 0.940 -6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.123 1.255 -8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.977 0.846 -9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.708 3.242 -7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.554 3.332 -9.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.642 3.988 -9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.353 2.436 -10.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.437 2.643 -9.302 1.00 0.00 H new ATOM 1105 N GLY A 108 -11.192 -3.876 -7.093 1.00 0.00 N ATOM 1106 CA GLY A 108 -11.043 -5.275 -7.408 1.00 0.00 C ATOM 1107 C GLY A 108 -9.622 -5.745 -7.209 1.00 0.00 C ATOM 1108 O GLY A 108 -8.906 -5.215 -6.355 1.00 0.00 O ATOM 0 H GLY A 108 -10.574 -3.535 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.712 -5.863 -6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.342 -5.449 -8.442 1.00 0.00 H new ATOM 1112 N PRO A 109 -9.157 -6.682 -8.043 1.00 0.00 N ATOM 1113 CA PRO A 109 -7.785 -7.184 -7.983 1.00 0.00 C ATOM 1114 C PRO A 109 -6.761 -6.119 -8.351 1.00 0.00 C ATOM 1115 O PRO A 109 -6.831 -5.525 -9.432 1.00 0.00 O ATOM 1116 CB PRO A 109 -7.772 -8.306 -9.012 1.00 0.00 C ATOM 1117 CG PRO A 109 -8.858 -7.958 -9.968 1.00 0.00 C ATOM 1118 CD PRO A 109 -9.922 -7.291 -9.147 1.00 0.00 C ATOM 0 HA PRO A 109 -7.515 -7.505 -6.977 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -6.807 -8.370 -9.515 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.952 -9.274 -8.544 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.493 -7.293 -10.751 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.245 -8.849 -10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.465 -6.542 -9.723 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.658 -8.007 -8.781 1.00 0.00 H new ATOM 1126 N ALA A 110 -5.802 -5.902 -7.456 1.00 0.00 N ATOM 1127 CA ALA A 110 -4.731 -4.931 -7.672 1.00 0.00 C ATOM 1128 C ALA A 110 -5.298 -3.552 -8.009 1.00 0.00 C ATOM 1129 O ALA A 110 -4.742 -2.820 -8.828 1.00 0.00 O ATOM 1130 CB ALA A 110 -3.799 -5.416 -8.775 1.00 0.00 C ATOM 0 H ALA A 110 -5.744 -6.392 -6.563 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.161 -4.838 -6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.005 -4.685 -8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.362 -6.372 -8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.363 -5.538 -9.700 1.00 0.00 H new ATOM 1136 N GLY A 111 -6.431 -3.222 -7.401 1.00 0.00 N ATOM 1137 CA GLY A 111 -7.077 -1.955 -7.679 1.00 0.00 C ATOM 1138 C GLY A 111 -6.532 -0.831 -6.825 1.00 0.00 C ATOM 1139 O GLY A 111 -5.380 -0.876 -6.388 1.00 0.00 O ATOM 0 H GLY A 111 -6.913 -3.809 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.944 -1.705 -8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.149 -2.051 -7.507 1.00 0.00 H new ATOM 1143 N ALA A 112 -7.384 0.129 -6.511 1.00 0.00 N ATOM 1144 CA ALA A 112 -7.014 1.208 -5.613 1.00 0.00 C ATOM 1145 C ALA A 112 -7.187 0.765 -4.169 1.00 0.00 C ATOM 1146 O ALA A 112 -8.187 0.134 -3.821 1.00 0.00 O ATOM 1147 CB ALA A 112 -7.839 2.455 -5.890 1.00 0.00 C ATOM 0 H ALA A 112 -8.339 0.183 -6.866 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.966 1.455 -5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.542 3.248 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.671 2.782 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.896 2.231 -5.749 1.00 0.00 H new ATOM 1153 N VAL A 113 -6.206 1.071 -3.344 1.00 0.00 N ATOM 1154 CA VAL A 113 -6.250 0.705 -1.944 1.00 0.00 C ATOM 1155 C VAL A 113 -6.837 1.840 -1.116 1.00 0.00 C ATOM 1156 O VAL A 113 -6.477 3.001 -1.290 1.00 0.00 O ATOM 1157 CB VAL A 113 -4.845 0.339 -1.423 1.00 0.00 C ATOM 1158 CG1 VAL A 113 -4.890 -0.059 0.044 1.00 0.00 C ATOM 1159 CG2 VAL A 113 -4.253 -0.780 -2.265 1.00 0.00 C ATOM 0 H VAL A 113 -5.364 1.575 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.890 -0.172 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.207 1.219 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.885 -0.312 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.274 0.772 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.542 -0.923 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.261 -1.032 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.896 -1.658 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.177 -0.454 -3.302 1.00 0.00 H new ATOM 1169 N LYS A 114 -7.772 1.494 -0.253 1.00 0.00 N ATOM 1170 CA LYS A 114 -8.434 2.454 0.609 1.00 0.00 C ATOM 1171 C LYS A 114 -8.135 2.092 2.058 1.00 0.00 C ATOM 1172 O LYS A 114 -8.161 0.915 2.415 1.00 0.00 O ATOM 1173 CB LYS A 114 -9.943 2.410 0.332 1.00 0.00 C ATOM 1174 CG LYS A 114 -10.780 3.463 1.055 1.00 0.00 C ATOM 1175 CD LYS A 114 -10.989 3.123 2.522 1.00 0.00 C ATOM 1176 CE LYS A 114 -11.930 4.099 3.204 1.00 0.00 C ATOM 1177 NZ LYS A 114 -13.326 3.962 2.712 1.00 0.00 N ATOM 0 H LYS A 114 -8.096 0.535 -0.129 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.074 3.465 0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -10.100 2.521 -0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -10.316 1.424 0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -10.289 4.433 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -11.749 3.555 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -11.391 2.113 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.028 3.127 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.907 3.932 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -11.583 5.118 3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.965 4.507 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -13.388 4.324 1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.603 2.960 2.727 1.00 0.00 H new ATOM 1191 N LEU A 115 -7.684 3.062 2.842 1.00 0.00 N ATOM 1192 CA LEU A 115 -7.251 2.779 4.194 1.00 0.00 C ATOM 1193 C LEU A 115 -8.430 2.474 5.100 1.00 0.00 C ATOM 1194 O LEU A 115 -9.253 3.344 5.394 1.00 0.00 O ATOM 1195 CB LEU A 115 -6.439 3.946 4.734 1.00 0.00 C ATOM 1196 CG LEU A 115 -5.118 3.545 5.376 1.00 0.00 C ATOM 1197 CD1 LEU A 115 -5.289 3.346 6.872 1.00 0.00 C ATOM 1198 CD2 LEU A 115 -4.577 2.272 4.732 1.00 0.00 C ATOM 0 H LEU A 115 -7.611 4.041 2.564 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.619 1.891 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.237 4.641 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.039 4.482 5.469 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.401 4.350 5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.334 3.060 7.312 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.634 4.275 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.022 2.560 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.632 1.999 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.296 1.463 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -4.416 2.443 3.668 1.00 0.00 H new ATOM 1210 N ALA A 116 -8.496 1.226 5.530 1.00 0.00 N ATOM 1211 CA ALA A 116 -9.570 0.757 6.393 1.00 0.00 C ATOM 1212 C ALA A 116 -9.476 1.395 7.769 1.00 0.00 C ATOM 1213 O ALA A 116 -8.399 1.455 8.368 1.00 0.00 O ATOM 1214 CB ALA A 116 -9.541 -0.759 6.511 1.00 0.00 C ATOM 0 H ALA A 116 -7.810 0.510 5.293 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.517 1.052 5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.352 -1.089 7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.663 -1.203 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.587 -1.073 6.934 1.00 0.00 H new