USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 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 32:sc= 0.0328 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 58:sc=-0.00164 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= -1.73! (180deg=-3.11!) USER MOD Single : A 64 SER OG : rot 72:sc= 1.25 USER MOD Single : A 65 SER OG : rot 180:sc= -0.951 USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= 1.28 (180deg=1.07) USER MOD Single : A 71 LYS NZ :NH3+ -118:sc= 0.913 (180deg=-1.94) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.567 K(o=0.57,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -50:sc= 0.00165 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.9) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.64 K(o=1.6,f=-6.1!) USER MOD Single : A 92 ASN : amide:sc= -0.0929 K(o=-0.093,f=-0.67) USER MOD Single : A 95 LYS NZ :NH3+ -159:sc= -0.0495 (180deg=-0.389) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.5 K(o=0.5,f=-3.7!) USER MOD Single : A 107 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0632) USER MOD Single : A 114 LYS NZ :NH3+ -167:sc= 0.885 (180deg=0.737) USER MOD ----------------------------------------------------------------- ATOM 76 N SER A 44 12.769 -5.604 5.845 1.00 0.00 N ATOM 77 CA SER A 44 12.051 -5.936 7.067 1.00 0.00 C ATOM 78 C SER A 44 11.357 -4.713 7.657 1.00 0.00 C ATOM 79 O SER A 44 11.121 -4.640 8.861 1.00 0.00 O ATOM 80 CB SER A 44 13.013 -6.555 8.082 1.00 0.00 C ATOM 81 OG SER A 44 13.537 -7.782 7.604 1.00 0.00 O ATOM 0 HA SER A 44 11.276 -6.662 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.829 -5.861 8.284 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.494 -6.721 9.026 1.00 0.00 H new ATOM 0 HG SER A 44 13.616 -7.746 6.628 1.00 0.00 H new ATOM 87 N LYS A 45 10.893 -3.832 6.784 1.00 0.00 N ATOM 88 CA LYS A 45 10.060 -2.720 7.205 1.00 0.00 C ATOM 89 C LYS A 45 8.605 -3.156 7.185 1.00 0.00 C ATOM 90 O LYS A 45 8.199 -3.905 6.297 1.00 0.00 O ATOM 91 CB LYS A 45 10.251 -1.508 6.289 1.00 0.00 C ATOM 92 CG LYS A 45 11.669 -0.956 6.269 1.00 0.00 C ATOM 93 CD LYS A 45 12.115 -0.528 7.656 1.00 0.00 C ATOM 94 CE LYS A 45 13.392 0.296 7.598 1.00 0.00 C ATOM 95 NZ LYS A 45 13.763 0.848 8.928 1.00 0.00 N ATOM 0 H LYS A 45 11.080 -3.867 5.782 1.00 0.00 H new ATOM 0 HA LYS A 45 10.350 -2.427 8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.967 -1.786 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.570 -0.718 6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.351 -1.714 5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.721 -0.105 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.325 0.055 8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.277 -1.410 8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.206 -0.324 7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.263 1.114 6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.639 1.402 8.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.998 1.461 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.912 0.067 9.599 1.00 0.00 H new ATOM 109 N SER A 46 7.833 -2.728 8.169 1.00 0.00 N ATOM 110 CA SER A 46 6.430 -3.094 8.228 1.00 0.00 C ATOM 111 C SER A 46 5.663 -2.427 7.096 1.00 0.00 C ATOM 112 O SER A 46 5.443 -1.216 7.107 1.00 0.00 O ATOM 113 CB SER A 46 5.835 -2.703 9.579 1.00 0.00 C ATOM 114 OG SER A 46 6.528 -3.339 10.641 1.00 0.00 O ATOM 0 H SER A 46 8.152 -2.131 8.932 1.00 0.00 H new ATOM 0 HA SER A 46 6.347 -4.175 8.114 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.885 -1.621 9.703 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.781 -2.979 9.610 1.00 0.00 H new ATOM 0 HG SER A 46 6.131 -3.073 11.497 1.00 0.00 H new ATOM 120 N TYR A 47 5.279 -3.227 6.113 1.00 0.00 N ATOM 121 CA TYR A 47 4.555 -2.723 4.955 1.00 0.00 C ATOM 122 C TYR A 47 3.216 -2.138 5.369 1.00 0.00 C ATOM 123 O TYR A 47 2.810 -1.104 4.857 1.00 0.00 O ATOM 124 CB TYR A 47 4.359 -3.817 3.906 1.00 0.00 C ATOM 125 CG TYR A 47 5.601 -4.098 3.089 1.00 0.00 C ATOM 126 CD1 TYR A 47 6.734 -4.660 3.669 1.00 0.00 C ATOM 127 CD2 TYR A 47 5.647 -3.783 1.738 1.00 0.00 C ATOM 128 CE1 TYR A 47 7.874 -4.900 2.925 1.00 0.00 C ATOM 129 CE2 TYR A 47 6.780 -4.024 0.987 1.00 0.00 C ATOM 130 CZ TYR A 47 7.892 -4.581 1.584 1.00 0.00 C ATOM 131 OH TYR A 47 9.026 -4.817 0.838 1.00 0.00 O ATOM 0 H TYR A 47 5.457 -4.231 6.094 1.00 0.00 H new ATOM 0 HA TYR A 47 5.155 -1.930 4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.046 -4.735 4.404 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.551 -3.526 3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.723 -4.913 4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.781 -3.342 1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.746 -5.335 3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.796 -3.777 -0.064 1.00 0.00 H new ATOM 0 HH TYR A 47 9.259 -5.768 0.888 1.00 0.00 H new ATOM 141 N ARG A 48 2.583 -2.755 6.360 1.00 0.00 N ATOM 142 CA ARG A 48 1.336 -2.238 6.916 1.00 0.00 C ATOM 143 C ARG A 48 1.503 -0.789 7.373 1.00 0.00 C ATOM 144 O ARG A 48 0.686 0.067 7.050 1.00 0.00 O ATOM 145 CB ARG A 48 0.874 -3.111 8.090 1.00 0.00 C ATOM 146 CG ARG A 48 -0.129 -2.416 8.994 1.00 0.00 C ATOM 147 CD ARG A 48 -0.612 -3.312 10.126 1.00 0.00 C ATOM 148 NE ARG A 48 -1.594 -4.295 9.676 1.00 0.00 N ATOM 149 CZ ARG A 48 -1.313 -5.552 9.332 1.00 0.00 C ATOM 150 NH1 ARG A 48 -0.067 -6.011 9.420 1.00 0.00 N ATOM 151 NH2 ARG A 48 -2.286 -6.355 8.919 1.00 0.00 N ATOM 0 H ARG A 48 2.913 -3.616 6.796 1.00 0.00 H new ATOM 0 HA ARG A 48 0.578 -2.266 6.134 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.429 -4.026 7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.742 -3.405 8.680 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.326 -1.519 9.414 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.984 -2.092 8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.241 -3.829 10.566 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.051 -2.697 10.911 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.568 -3.997 9.621 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.679 -5.400 9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.142 -6.974 9.155 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.244 -6.010 8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.075 -7.317 8.655 1.00 0.00 H new ATOM 165 N GLU A 49 2.616 -0.510 8.038 1.00 0.00 N ATOM 166 CA GLU A 49 2.940 0.818 8.486 1.00 0.00 C ATOM 167 C GLU A 49 3.174 1.738 7.293 1.00 0.00 C ATOM 168 O GLU A 49 2.566 2.796 7.191 1.00 0.00 O ATOM 169 CB GLU A 49 4.185 0.728 9.363 1.00 0.00 C ATOM 170 CG GLU A 49 4.888 2.042 9.576 1.00 0.00 C ATOM 171 CD GLU A 49 4.280 2.880 10.684 1.00 0.00 C ATOM 172 OE1 GLU A 49 3.238 2.476 11.245 1.00 0.00 O ATOM 173 OE2 GLU A 49 4.848 3.946 11.005 1.00 0.00 O ATOM 0 H GLU A 49 3.318 -1.210 8.278 1.00 0.00 H new ATOM 0 HA GLU A 49 2.115 1.238 9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.903 0.318 10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.884 0.024 8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.936 1.851 9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.866 2.611 8.647 1.00 0.00 H new ATOM 180 N LEU A 50 4.006 1.279 6.364 1.00 0.00 N ATOM 181 CA LEU A 50 4.315 2.028 5.149 1.00 0.00 C ATOM 182 C LEU A 50 3.044 2.395 4.376 1.00 0.00 C ATOM 183 O LEU A 50 2.847 3.551 3.994 1.00 0.00 O ATOM 184 CB LEU A 50 5.235 1.191 4.256 1.00 0.00 C ATOM 185 CG LEU A 50 6.745 1.277 4.537 1.00 0.00 C ATOM 186 CD1 LEU A 50 7.055 1.378 6.022 1.00 0.00 C ATOM 187 CD2 LEU A 50 7.435 0.057 3.964 1.00 0.00 C ATOM 0 H LEU A 50 4.484 0.381 6.431 1.00 0.00 H new ATOM 0 HA LEU A 50 4.812 2.954 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.933 0.147 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.065 1.488 3.221 1.00 0.00 H new ATOM 0 HG LEU A 50 7.113 2.186 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.134 1.436 6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.586 2.273 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.668 0.498 6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.505 0.117 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.030 -0.842 4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.268 0.016 2.888 1.00 0.00 H new ATOM 199 N ILE A 51 2.192 1.403 4.156 1.00 0.00 N ATOM 200 CA ILE A 51 0.947 1.596 3.426 1.00 0.00 C ATOM 201 C ILE A 51 -0.003 2.492 4.190 1.00 0.00 C ATOM 202 O ILE A 51 -0.537 3.432 3.629 1.00 0.00 O ATOM 203 CB ILE A 51 0.245 0.256 3.155 1.00 0.00 C ATOM 204 CG1 ILE A 51 1.166 -0.675 2.375 1.00 0.00 C ATOM 205 CG2 ILE A 51 -1.058 0.475 2.396 1.00 0.00 C ATOM 206 CD1 ILE A 51 0.599 -2.060 2.213 1.00 0.00 C ATOM 0 H ILE A 51 2.343 0.447 4.477 1.00 0.00 H new ATOM 0 HA ILE A 51 1.209 2.067 2.478 1.00 0.00 H new ATOM 0 HB ILE A 51 0.009 -0.209 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.356 -0.248 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.127 -0.739 2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.539 -0.486 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.721 1.107 2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.847 0.961 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.300 -2.676 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.434 -2.503 3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.348 -2.005 1.677 1.00 0.00 H new ATOM 218 N ILE A 52 -0.233 2.184 5.454 1.00 0.00 N ATOM 219 CA ILE A 52 -1.159 2.961 6.262 1.00 0.00 C ATOM 220 C ILE A 52 -0.704 4.408 6.387 1.00 0.00 C ATOM 221 O ILE A 52 -1.486 5.333 6.154 1.00 0.00 O ATOM 222 CB ILE A 52 -1.340 2.352 7.665 1.00 0.00 C ATOM 223 CG1 ILE A 52 -2.251 1.125 7.582 1.00 0.00 C ATOM 224 CG2 ILE A 52 -1.901 3.390 8.625 1.00 0.00 C ATOM 225 CD1 ILE A 52 -2.362 0.351 8.873 1.00 0.00 C ATOM 0 H ILE A 52 0.207 1.404 5.943 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.120 2.936 5.748 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.370 2.036 8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.247 1.445 7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.877 0.460 6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.023 2.944 9.612 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.214 4.234 8.690 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.868 3.737 8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.025 -0.502 8.730 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.375 -0.002 9.171 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.766 0.998 9.652 1.00 0.00 H new ATOM 237 N GLU A 53 0.572 4.595 6.696 1.00 0.00 N ATOM 238 CA GLU A 53 1.147 5.925 6.806 1.00 0.00 C ATOM 239 C GLU A 53 0.898 6.723 5.539 1.00 0.00 C ATOM 240 O GLU A 53 0.495 7.885 5.594 1.00 0.00 O ATOM 241 CB GLU A 53 2.643 5.840 7.082 1.00 0.00 C ATOM 242 CG GLU A 53 2.974 5.611 8.542 1.00 0.00 C ATOM 243 CD GLU A 53 2.184 6.512 9.469 1.00 0.00 C ATOM 244 OE1 GLU A 53 2.290 7.751 9.341 1.00 0.00 O ATOM 245 OE2 GLU A 53 1.458 5.986 10.336 1.00 0.00 O ATOM 0 H GLU A 53 1.230 3.837 6.875 1.00 0.00 H new ATOM 0 HA GLU A 53 0.664 6.434 7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.069 5.030 6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.119 6.762 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.774 4.570 8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.039 5.779 8.699 1.00 0.00 H new ATOM 252 N GLY A 54 1.067 6.068 4.404 1.00 0.00 N ATOM 253 CA GLY A 54 0.777 6.709 3.150 1.00 0.00 C ATOM 254 C GLY A 54 -0.694 6.852 2.911 1.00 0.00 C ATOM 255 O GLY A 54 -1.166 7.932 2.595 1.00 0.00 O ATOM 0 H GLY A 54 1.399 5.106 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.243 7.694 3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.220 6.132 2.339 1.00 0.00 H new ATOM 259 N LEU A 55 -1.388 5.730 2.937 1.00 0.00 N ATOM 260 CA LEU A 55 -2.779 5.678 2.544 1.00 0.00 C ATOM 261 C LEU A 55 -3.645 6.623 3.378 1.00 0.00 C ATOM 262 O LEU A 55 -4.616 7.180 2.874 1.00 0.00 O ATOM 263 CB LEU A 55 -3.284 4.236 2.619 1.00 0.00 C ATOM 264 CG LEU A 55 -4.604 3.958 1.905 1.00 0.00 C ATOM 265 CD1 LEU A 55 -4.693 4.753 0.610 1.00 0.00 C ATOM 266 CD2 LEU A 55 -4.735 2.474 1.613 1.00 0.00 C ATOM 0 H LEU A 55 -1.003 4.832 3.231 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.857 6.022 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.520 3.581 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.396 3.964 3.669 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.421 4.268 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.641 4.540 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.630 5.818 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.871 4.471 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.680 2.285 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.910 2.154 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.710 1.915 2.549 1.00 0.00 H new ATOM 278 N THR A 56 -3.261 6.857 4.626 1.00 0.00 N ATOM 279 CA THR A 56 -3.976 7.810 5.464 1.00 0.00 C ATOM 280 C THR A 56 -3.619 9.246 5.056 1.00 0.00 C ATOM 281 O THR A 56 -4.417 10.170 5.218 1.00 0.00 O ATOM 282 CB THR A 56 -3.673 7.596 6.974 1.00 0.00 C ATOM 283 OG1 THR A 56 -4.729 8.151 7.774 1.00 0.00 O ATOM 284 CG2 THR A 56 -2.355 8.236 7.381 1.00 0.00 C ATOM 0 H THR A 56 -2.466 6.405 5.077 1.00 0.00 H new ATOM 0 HA THR A 56 -5.043 7.643 5.313 1.00 0.00 H new ATOM 0 HB THR A 56 -3.601 6.521 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.529 8.010 8.723 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.180 8.064 8.443 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.543 7.795 6.803 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.397 9.308 7.189 1.00 0.00 H new ATOM 292 N ALA A 57 -2.377 9.430 4.609 1.00 0.00 N ATOM 293 CA ALA A 57 -1.855 10.752 4.293 1.00 0.00 C ATOM 294 C ALA A 57 -2.173 11.175 2.864 1.00 0.00 C ATOM 295 O ALA A 57 -2.631 12.297 2.635 1.00 0.00 O ATOM 296 CB ALA A 57 -0.352 10.782 4.529 1.00 0.00 C ATOM 0 H ALA A 57 -1.712 8.671 4.458 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.347 11.466 4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.034 11.773 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.143 10.552 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.131 10.042 3.891 1.00 0.00 H new ATOM 302 N LEU A 58 -1.867 10.321 1.892 1.00 0.00 N ATOM 303 CA LEU A 58 -2.070 10.690 0.506 1.00 0.00 C ATOM 304 C LEU A 58 -3.550 10.594 0.152 1.00 0.00 C ATOM 305 O LEU A 58 -4.145 11.617 -0.158 1.00 0.00 O ATOM 306 CB LEU A 58 -1.181 9.867 -0.453 1.00 0.00 C ATOM 307 CG LEU A 58 -1.763 8.563 -1.006 1.00 0.00 C ATOM 308 CD1 LEU A 58 -1.487 8.448 -2.495 1.00 0.00 C ATOM 309 CD2 LEU A 58 -1.199 7.371 -0.279 1.00 0.00 C ATOM 0 H LEU A 58 -1.485 9.387 2.039 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.759 11.727 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.917 10.503 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.254 9.628 0.068 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.841 8.581 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.907 7.516 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.945 9.289 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.411 8.457 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.628 6.457 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.116 7.350 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.444 7.442 0.781 1.00 0.00 H new ATOM 321 N LYS A 59 -4.136 9.406 0.424 1.00 0.00 N ATOM 322 CA LYS A 59 -5.570 9.045 0.280 1.00 0.00 C ATOM 323 C LYS A 59 -6.308 9.578 -0.972 1.00 0.00 C ATOM 324 O LYS A 59 -7.115 8.851 -1.553 1.00 0.00 O ATOM 325 CB LYS A 59 -6.356 9.345 1.567 1.00 0.00 C ATOM 326 CG LYS A 59 -6.987 10.723 1.670 1.00 0.00 C ATOM 327 CD LYS A 59 -5.997 11.756 2.181 1.00 0.00 C ATOM 328 CE LYS A 59 -6.702 13.010 2.658 1.00 0.00 C ATOM 329 NZ LYS A 59 -5.746 14.106 2.966 1.00 0.00 N ATOM 0 H LYS A 59 -3.586 8.621 0.773 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.539 7.969 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.145 8.600 1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.685 9.213 2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.359 11.027 0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.847 10.681 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.415 11.331 2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.294 12.011 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.402 13.345 1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.288 12.780 3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.271 14.944 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.093 13.797 3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.204 14.345 2.111 1.00 0.00 H new ATOM 343 N GLU A 60 -6.102 10.833 -1.335 1.00 0.00 N ATOM 344 CA GLU A 60 -6.809 11.472 -2.433 1.00 0.00 C ATOM 345 C GLU A 60 -8.296 11.553 -2.100 1.00 0.00 C ATOM 346 O GLU A 60 -8.689 12.317 -1.219 1.00 0.00 O ATOM 347 CB GLU A 60 -6.554 10.740 -3.757 1.00 0.00 C ATOM 348 CG GLU A 60 -5.081 10.686 -4.129 1.00 0.00 C ATOM 349 CD GLU A 60 -4.831 10.056 -5.480 1.00 0.00 C ATOM 350 OE1 GLU A 60 -5.173 8.868 -5.657 1.00 0.00 O ATOM 351 OE2 GLU A 60 -4.298 10.739 -6.376 1.00 0.00 O ATOM 0 H GLU A 60 -5.431 11.444 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.431 12.486 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.943 9.724 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.107 11.238 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.675 11.698 -4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.541 10.124 -3.367 1.00 0.00 H new ATOM 358 N ARG A 61 -9.103 10.718 -2.730 1.00 0.00 N ATOM 359 CA ARG A 61 -10.523 10.667 -2.411 1.00 0.00 C ATOM 360 C ARG A 61 -10.759 9.887 -1.116 1.00 0.00 C ATOM 361 O ARG A 61 -11.673 10.199 -0.353 1.00 0.00 O ATOM 362 CB ARG A 61 -11.314 10.044 -3.563 1.00 0.00 C ATOM 363 CG ARG A 61 -11.034 8.568 -3.802 1.00 0.00 C ATOM 364 CD ARG A 61 -11.864 8.042 -4.959 1.00 0.00 C ATOM 365 NE ARG A 61 -11.487 8.666 -6.220 1.00 0.00 N ATOM 366 CZ ARG A 61 -12.284 8.743 -7.282 1.00 0.00 C ATOM 367 NH1 ARG A 61 -13.536 8.299 -7.217 1.00 0.00 N ATOM 368 NH2 ARG A 61 -11.834 9.275 -8.407 1.00 0.00 N ATOM 0 H ARG A 61 -8.805 10.070 -3.460 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.875 11.688 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.378 10.170 -3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.092 10.594 -4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.974 8.424 -4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.259 8.000 -2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.738 6.962 -5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.920 8.227 -4.763 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.553 9.069 -6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.890 7.897 -6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.142 8.361 -8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.877 9.625 -8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.444 9.335 -9.222 1.00 0.00 H new ATOM 382 N LYS A 62 -9.877 8.918 -0.859 1.00 0.00 N ATOM 383 CA LYS A 62 -9.907 8.086 0.351 1.00 0.00 C ATOM 384 C LYS A 62 -8.963 6.907 0.169 1.00 0.00 C ATOM 385 O LYS A 62 -8.377 6.410 1.125 1.00 0.00 O ATOM 386 CB LYS A 62 -11.318 7.572 0.704 1.00 0.00 C ATOM 387 CG LYS A 62 -11.961 6.673 -0.346 1.00 0.00 C ATOM 388 CD LYS A 62 -13.077 7.380 -1.112 1.00 0.00 C ATOM 389 CE LYS A 62 -14.343 7.574 -0.275 1.00 0.00 C ATOM 390 NZ LYS A 62 -14.208 8.652 0.744 1.00 0.00 N ATOM 0 H LYS A 62 -9.112 8.685 -1.492 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.589 8.716 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.263 7.024 1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.969 8.430 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.199 6.336 -1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.363 5.783 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.719 8.352 -1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.322 6.802 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.177 7.809 -0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.588 6.637 0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.143 9.064 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.815 8.254 1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.572 9.392 0.384 1.00 0.00 H new ATOM 404 N GLY A 63 -8.794 6.498 -1.079 1.00 0.00 N ATOM 405 CA GLY A 63 -7.895 5.415 -1.401 1.00 0.00 C ATOM 406 C GLY A 63 -7.165 5.677 -2.695 1.00 0.00 C ATOM 407 O GLY A 63 -7.683 6.377 -3.570 1.00 0.00 O ATOM 0 H GLY A 63 -9.272 6.905 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.174 5.285 -0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.457 4.484 -1.479 1.00 0.00 H new ATOM 411 N SER A 64 -5.966 5.143 -2.812 1.00 0.00 N ATOM 412 CA SER A 64 -5.157 5.355 -3.994 1.00 0.00 C ATOM 413 C SER A 64 -4.567 4.035 -4.470 1.00 0.00 C ATOM 414 O SER A 64 -4.517 3.059 -3.716 1.00 0.00 O ATOM 415 CB SER A 64 -4.047 6.363 -3.697 1.00 0.00 C ATOM 416 OG SER A 64 -3.525 6.914 -4.894 1.00 0.00 O ATOM 0 H SER A 64 -5.530 4.557 -2.100 1.00 0.00 H new ATOM 0 HA SER A 64 -5.788 5.757 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.436 7.161 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.248 5.875 -3.139 1.00 0.00 H new ATOM 0 HG SER A 64 -4.184 7.522 -5.289 1.00 0.00 H new ATOM 422 N SER A 65 -4.235 3.982 -5.748 1.00 0.00 N ATOM 423 CA SER A 65 -3.733 2.768 -6.373 1.00 0.00 C ATOM 424 C SER A 65 -2.408 2.335 -5.741 1.00 0.00 C ATOM 425 O SER A 65 -1.694 3.150 -5.149 1.00 0.00 O ATOM 426 CB SER A 65 -3.564 2.994 -7.879 1.00 0.00 C ATOM 427 OG SER A 65 -3.337 1.772 -8.563 1.00 0.00 O ATOM 0 H SER A 65 -4.305 4.778 -6.382 1.00 0.00 H new ATOM 0 HA SER A 65 -4.455 1.968 -6.212 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.456 3.476 -8.279 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.729 3.672 -8.055 1.00 0.00 H new ATOM 0 HG SER A 65 -3.235 1.948 -9.522 1.00 0.00 H new ATOM 433 N ARG A 66 -2.093 1.045 -5.872 1.00 0.00 N ATOM 434 CA ARG A 66 -0.861 0.472 -5.325 1.00 0.00 C ATOM 435 C ARG A 66 0.376 1.304 -5.694 1.00 0.00 C ATOM 436 O ARG A 66 1.161 1.648 -4.813 1.00 0.00 O ATOM 437 CB ARG A 66 -0.667 -0.968 -5.811 1.00 0.00 C ATOM 438 CG ARG A 66 -1.619 -1.974 -5.192 1.00 0.00 C ATOM 439 CD ARG A 66 -1.527 -3.313 -5.910 1.00 0.00 C ATOM 440 NE ARG A 66 -1.831 -3.177 -7.336 1.00 0.00 N ATOM 441 CZ ARG A 66 -1.579 -4.106 -8.257 1.00 0.00 C ATOM 442 NH1 ARG A 66 -0.980 -5.239 -7.927 1.00 0.00 N ATOM 443 NH2 ARG A 66 -1.905 -3.887 -9.524 1.00 0.00 N ATOM 0 H ARG A 66 -2.682 0.370 -6.359 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.967 0.480 -4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.787 -0.992 -6.894 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.356 -1.276 -5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.382 -2.105 -4.136 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.640 -1.596 -5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.525 -3.725 -5.788 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.220 -4.020 -5.455 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.267 -2.309 -7.646 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.706 -5.408 -6.959 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.792 -5.943 -8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.348 -3.008 -9.792 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.713 -4.597 -10.230 1.00 0.00 H new ATOM 457 N PRO A 67 0.596 1.616 -7.002 1.00 0.00 N ATOM 458 CA PRO A 67 1.761 2.389 -7.455 1.00 0.00 C ATOM 459 C PRO A 67 1.972 3.672 -6.656 1.00 0.00 C ATOM 460 O PRO A 67 3.108 4.031 -6.347 1.00 0.00 O ATOM 461 CB PRO A 67 1.440 2.731 -8.918 1.00 0.00 C ATOM 462 CG PRO A 67 0.026 2.311 -9.135 1.00 0.00 C ATOM 463 CD PRO A 67 -0.238 1.221 -8.146 1.00 0.00 C ATOM 0 HA PRO A 67 2.680 1.817 -7.327 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.564 3.797 -9.106 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.112 2.207 -9.598 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.657 3.147 -8.985 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.123 1.957 -10.155 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.293 1.164 -7.878 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.045 0.243 -8.535 1.00 0.00 H new ATOM 471 N ALA A 68 0.879 4.339 -6.299 1.00 0.00 N ATOM 472 CA ALA A 68 0.950 5.569 -5.520 1.00 0.00 C ATOM 473 C ALA A 68 1.529 5.305 -4.134 1.00 0.00 C ATOM 474 O ALA A 68 2.432 6.013 -3.685 1.00 0.00 O ATOM 475 CB ALA A 68 -0.424 6.208 -5.414 1.00 0.00 C ATOM 0 H ALA A 68 -0.069 4.047 -6.538 1.00 0.00 H new ATOM 0 HA ALA A 68 1.616 6.261 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.355 7.125 -4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.795 6.441 -6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.110 5.517 -4.924 1.00 0.00 H new ATOM 481 N LEU A 69 1.059 4.242 -3.492 1.00 0.00 N ATOM 482 CA LEU A 69 1.582 3.838 -2.190 1.00 0.00 C ATOM 483 C LEU A 69 3.027 3.384 -2.304 1.00 0.00 C ATOM 484 O LEU A 69 3.876 3.775 -1.507 1.00 0.00 O ATOM 485 CB LEU A 69 0.731 2.717 -1.595 1.00 0.00 C ATOM 486 CG LEU A 69 -0.617 3.162 -1.043 1.00 0.00 C ATOM 487 CD1 LEU A 69 -1.489 1.957 -0.750 1.00 0.00 C ATOM 488 CD2 LEU A 69 -0.417 3.994 0.212 1.00 0.00 C ATOM 0 H LEU A 69 0.316 3.643 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 69 1.541 4.704 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.562 1.962 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.295 2.238 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.119 3.776 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.449 2.290 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.650 1.392 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.996 1.321 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.387 4.307 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.099 3.398 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.180 4.874 -0.026 1.00 0.00 H new ATOM 500 N LYS A 70 3.303 2.587 -3.327 1.00 0.00 N ATOM 501 CA LYS A 70 4.650 2.094 -3.585 1.00 0.00 C ATOM 502 C LYS A 70 5.622 3.254 -3.796 1.00 0.00 C ATOM 503 O LYS A 70 6.763 3.212 -3.337 1.00 0.00 O ATOM 504 CB LYS A 70 4.645 1.174 -4.810 1.00 0.00 C ATOM 505 CG LYS A 70 3.764 -0.053 -4.642 1.00 0.00 C ATOM 506 CD LYS A 70 3.589 -0.816 -5.946 1.00 0.00 C ATOM 507 CE LYS A 70 4.904 -1.368 -6.470 1.00 0.00 C ATOM 508 NZ LYS A 70 4.720 -2.065 -7.769 1.00 0.00 N ATOM 0 H LYS A 70 2.605 2.265 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 70 4.983 1.526 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.306 1.739 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.666 0.853 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.201 -0.713 -3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.787 0.252 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.888 -1.636 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.150 -0.156 -6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.620 -0.555 -6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.326 -2.059 -5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.587 -2.587 -8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.924 -2.730 -7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.520 -1.366 -8.513 1.00 0.00 H new ATOM 522 N LYS A 71 5.132 4.316 -4.420 1.00 0.00 N ATOM 523 CA LYS A 71 5.917 5.518 -4.641 1.00 0.00 C ATOM 524 C LYS A 71 6.183 6.223 -3.325 1.00 0.00 C ATOM 525 O LYS A 71 7.329 6.540 -2.995 1.00 0.00 O ATOM 526 CB LYS A 71 5.164 6.450 -5.582 1.00 0.00 C ATOM 527 CG LYS A 71 5.846 7.786 -5.792 1.00 0.00 C ATOM 528 CD LYS A 71 5.064 8.663 -6.747 1.00 0.00 C ATOM 529 CE LYS A 71 5.508 10.108 -6.647 1.00 0.00 C ATOM 530 NZ LYS A 71 5.200 10.692 -5.313 1.00 0.00 N ATOM 0 H LYS A 71 4.181 4.367 -4.786 1.00 0.00 H new ATOM 0 HA LYS A 71 6.872 5.241 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.044 5.958 -6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.163 6.621 -5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.954 8.295 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.851 7.626 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.201 8.307 -7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.000 8.590 -6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.580 10.172 -6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.015 10.694 -7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.538 11.486 -5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.768 9.965 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.078 11.033 -4.872 1.00 0.00 H new ATOM 544 N PHE A 72 5.111 6.426 -2.571 1.00 0.00 N ATOM 545 CA PHE A 72 5.186 7.052 -1.255 1.00 0.00 C ATOM 546 C PHE A 72 6.223 6.350 -0.387 1.00 0.00 C ATOM 547 O PHE A 72 7.006 6.990 0.324 1.00 0.00 O ATOM 548 CB PHE A 72 3.821 6.989 -0.563 1.00 0.00 C ATOM 549 CG PHE A 72 3.809 7.604 0.808 1.00 0.00 C ATOM 550 CD1 PHE A 72 3.639 8.971 0.973 1.00 0.00 C ATOM 551 CD2 PHE A 72 3.970 6.814 1.934 1.00 0.00 C ATOM 552 CE1 PHE A 72 3.625 9.535 2.235 1.00 0.00 C ATOM 553 CE2 PHE A 72 3.960 7.372 3.197 1.00 0.00 C ATOM 554 CZ PHE A 72 3.792 8.748 3.343 1.00 0.00 C ATOM 0 H PHE A 72 4.167 6.163 -2.852 1.00 0.00 H new ATOM 0 HA PHE A 72 5.479 8.093 -1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.084 7.497 -1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.510 5.947 -0.487 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.516 9.602 0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.105 5.748 1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.482 10.600 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.082 6.745 4.068 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.794 9.192 4.327 1.00 0.00 H new ATOM 564 N ILE A 73 6.196 5.027 -0.432 1.00 0.00 N ATOM 565 CA ILE A 73 7.109 4.214 0.347 1.00 0.00 C ATOM 566 C ILE A 73 8.553 4.461 -0.073 1.00 0.00 C ATOM 567 O ILE A 73 9.421 4.642 0.771 1.00 0.00 O ATOM 568 CB ILE A 73 6.781 2.714 0.219 1.00 0.00 C ATOM 569 CG1 ILE A 73 5.401 2.421 0.813 1.00 0.00 C ATOM 570 CG2 ILE A 73 7.848 1.878 0.906 1.00 0.00 C ATOM 571 CD1 ILE A 73 4.962 0.980 0.651 1.00 0.00 C ATOM 0 H ILE A 73 5.544 4.492 -1.006 1.00 0.00 H new ATOM 0 HA ILE A 73 6.987 4.506 1.390 1.00 0.00 H new ATOM 0 HB ILE A 73 6.766 2.448 -0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.411 2.671 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.666 3.071 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.602 0.821 0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.816 2.070 0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.893 2.142 1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.976 0.848 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.919 0.730 -0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.676 0.324 1.150 1.00 0.00 H new ATOM 583 N LYS A 74 8.806 4.482 -1.374 1.00 0.00 N ATOM 584 CA LYS A 74 10.158 4.700 -1.885 1.00 0.00 C ATOM 585 C LYS A 74 10.710 6.057 -1.464 1.00 0.00 C ATOM 586 O LYS A 74 11.908 6.197 -1.212 1.00 0.00 O ATOM 587 CB LYS A 74 10.184 4.569 -3.406 1.00 0.00 C ATOM 588 CG LYS A 74 9.774 3.193 -3.893 1.00 0.00 C ATOM 589 CD LYS A 74 9.891 3.064 -5.400 1.00 0.00 C ATOM 590 CE LYS A 74 9.438 1.690 -5.866 1.00 0.00 C ATOM 591 NZ LYS A 74 9.514 1.544 -7.343 1.00 0.00 N ATOM 0 H LYS A 74 8.097 4.351 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 74 10.798 3.932 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.518 5.315 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.189 4.791 -3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.399 2.438 -3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.746 2.993 -3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.287 3.833 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.924 3.233 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.057 0.926 -5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.413 1.517 -5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.196 0.592 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.904 2.255 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.496 1.683 -7.655 1.00 0.00 H new ATOM 605 N GLU A 75 9.847 7.060 -1.440 1.00 0.00 N ATOM 606 CA GLU A 75 10.259 8.412 -1.087 1.00 0.00 C ATOM 607 C GLU A 75 10.660 8.501 0.386 1.00 0.00 C ATOM 608 O GLU A 75 11.603 9.206 0.744 1.00 0.00 O ATOM 609 CB GLU A 75 9.127 9.399 -1.376 1.00 0.00 C ATOM 610 CG GLU A 75 8.626 9.353 -2.811 1.00 0.00 C ATOM 611 CD GLU A 75 7.474 10.304 -3.056 1.00 0.00 C ATOM 612 OE1 GLU A 75 6.488 10.258 -2.299 1.00 0.00 O ATOM 613 OE2 GLU A 75 7.541 11.094 -4.022 1.00 0.00 O ATOM 0 H GLU A 75 8.856 6.965 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 75 11.127 8.668 -1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.295 9.191 -0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.472 10.409 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.446 9.599 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.311 8.337 -3.050 1.00 0.00 H new ATOM 620 N ASN A 76 9.879 7.860 1.245 1.00 0.00 N ATOM 621 CA ASN A 76 10.077 7.973 2.692 1.00 0.00 C ATOM 622 C ASN A 76 10.948 6.850 3.247 1.00 0.00 C ATOM 623 O ASN A 76 11.784 7.076 4.127 1.00 0.00 O ATOM 624 CB ASN A 76 8.722 7.982 3.400 1.00 0.00 C ATOM 625 CG ASN A 76 7.953 9.260 3.155 1.00 0.00 C ATOM 626 OD1 ASN A 76 8.239 10.301 3.750 1.00 0.00 O ATOM 627 ND2 ASN A 76 6.991 9.202 2.249 1.00 0.00 N ATOM 0 H ASN A 76 9.103 7.257 0.971 1.00 0.00 H new ATOM 0 HA ASN A 76 10.600 8.911 2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.130 7.133 3.057 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.874 7.852 4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.455 10.039 2.020 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.786 8.320 1.779 1.00 0.00 H new ATOM 634 N TYR A 77 10.737 5.642 2.756 1.00 0.00 N ATOM 635 CA TYR A 77 11.477 4.475 3.220 1.00 0.00 C ATOM 636 C TYR A 77 12.170 3.777 2.049 1.00 0.00 C ATOM 637 O TYR A 77 11.722 2.718 1.603 1.00 0.00 O ATOM 638 CB TYR A 77 10.541 3.470 3.912 1.00 0.00 C ATOM 639 CG TYR A 77 9.838 3.993 5.148 1.00 0.00 C ATOM 640 CD1 TYR A 77 8.763 4.868 5.049 1.00 0.00 C ATOM 641 CD2 TYR A 77 10.234 3.583 6.415 1.00 0.00 C ATOM 642 CE1 TYR A 77 8.108 5.326 6.176 1.00 0.00 C ATOM 643 CE2 TYR A 77 9.581 4.035 7.547 1.00 0.00 C ATOM 644 CZ TYR A 77 8.520 4.907 7.422 1.00 0.00 C ATOM 645 OH TYR A 77 7.866 5.363 8.546 1.00 0.00 O ATOM 0 H TYR A 77 10.052 5.439 2.028 1.00 0.00 H new ATOM 0 HA TYR A 77 12.224 4.823 3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 77 9.788 3.145 3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.120 2.588 4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.434 5.196 4.074 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.065 2.901 6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.277 6.009 6.081 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.901 3.706 8.525 1.00 0.00 H new ATOM 0 HH TYR A 77 8.278 4.973 9.345 1.00 0.00 H new ATOM 655 N PRO A 78 13.285 4.339 1.549 1.00 0.00 N ATOM 656 CA PRO A 78 14.035 3.755 0.429 1.00 0.00 C ATOM 657 C PRO A 78 14.542 2.348 0.738 1.00 0.00 C ATOM 658 O PRO A 78 14.845 1.575 -0.172 1.00 0.00 O ATOM 659 CB PRO A 78 15.211 4.713 0.227 1.00 0.00 C ATOM 660 CG PRO A 78 15.310 5.485 1.497 1.00 0.00 C ATOM 661 CD PRO A 78 13.910 5.581 2.031 1.00 0.00 C ATOM 0 HA PRO A 78 13.408 3.646 -0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 78 16.133 4.167 0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.039 5.374 -0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.966 4.984 2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.729 6.475 1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.897 5.643 3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.394 6.465 1.655 1.00 0.00 H new ATOM 669 N ILE A 79 14.594 2.021 2.029 1.00 0.00 N ATOM 670 CA ILE A 79 15.004 0.700 2.490 1.00 0.00 C ATOM 671 C ILE A 79 14.204 -0.377 1.780 1.00 0.00 C ATOM 672 O ILE A 79 14.708 -1.099 0.918 1.00 0.00 O ATOM 673 CB ILE A 79 14.741 0.532 4.001 1.00 0.00 C ATOM 674 CG1 ILE A 79 15.257 1.735 4.798 1.00 0.00 C ATOM 675 CG2 ILE A 79 15.390 -0.744 4.508 1.00 0.00 C ATOM 676 CD1 ILE A 79 14.241 2.844 4.967 1.00 0.00 C ATOM 0 H ILE A 79 14.353 2.665 2.782 1.00 0.00 H new ATOM 0 HA ILE A 79 16.069 0.605 2.277 1.00 0.00 H new ATOM 0 HB ILE A 79 13.662 0.470 4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.576 1.395 5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 79 16.139 2.137 4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.197 -0.851 5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 79 14.974 -1.600 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.465 -0.698 4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.683 3.658 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 79 13.939 3.214 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.368 2.460 5.494 1.00 0.00 H new ATOM 688 N VAL A 80 12.928 -0.396 2.099 1.00 0.00 N ATOM 689 CA VAL A 80 11.981 -1.289 1.475 1.00 0.00 C ATOM 690 C VAL A 80 11.668 -0.813 0.063 1.00 0.00 C ATOM 691 O VAL A 80 11.442 -1.614 -0.836 1.00 0.00 O ATOM 692 CB VAL A 80 10.701 -1.350 2.328 1.00 0.00 C ATOM 693 CG1 VAL A 80 9.468 -1.121 1.502 1.00 0.00 C ATOM 694 CG2 VAL A 80 10.592 -2.666 3.069 1.00 0.00 C ATOM 0 H VAL A 80 12.517 0.214 2.805 1.00 0.00 H new ATOM 0 HA VAL A 80 12.409 -2.289 1.409 1.00 0.00 H new ATOM 0 HB VAL A 80 10.774 -0.545 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.587 -1.172 2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.521 -0.138 1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.400 -1.887 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.677 -2.675 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.568 -3.487 2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.452 -2.785 3.728 1.00 0.00 H new ATOM 704 N GLY A 81 11.626 0.503 -0.109 1.00 0.00 N ATOM 705 CA GLY A 81 11.280 1.073 -1.390 1.00 0.00 C ATOM 706 C GLY A 81 12.135 0.542 -2.523 1.00 0.00 C ATOM 707 O GLY A 81 11.628 0.226 -3.600 1.00 0.00 O ATOM 0 H GLY A 81 11.827 1.185 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.232 0.864 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.385 2.157 -1.340 1.00 0.00 H new ATOM 711 N SER A 82 13.429 0.418 -2.277 1.00 0.00 N ATOM 712 CA SER A 82 14.337 -0.107 -3.278 1.00 0.00 C ATOM 713 C SER A 82 14.694 -1.560 -2.962 1.00 0.00 C ATOM 714 O SER A 82 15.733 -2.063 -3.387 1.00 0.00 O ATOM 715 CB SER A 82 15.600 0.756 -3.347 1.00 0.00 C ATOM 716 OG SER A 82 16.219 0.655 -4.622 1.00 0.00 O ATOM 0 H SER A 82 13.871 0.674 -1.394 1.00 0.00 H new ATOM 0 HA SER A 82 13.844 -0.079 -4.250 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.345 1.796 -3.144 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.301 0.443 -2.573 1.00 0.00 H new ATOM 0 HG SER A 82 16.321 -0.290 -4.862 1.00 0.00 H new ATOM 722 N ALA A 83 13.788 -2.256 -2.286 1.00 0.00 N ATOM 723 CA ALA A 83 13.969 -3.675 -2.018 1.00 0.00 C ATOM 724 C ALA A 83 13.758 -4.471 -3.301 1.00 0.00 C ATOM 725 O ALA A 83 12.907 -4.121 -4.122 1.00 0.00 O ATOM 726 CB ALA A 83 13.020 -4.149 -0.917 1.00 0.00 C ATOM 0 H ALA A 83 12.924 -1.861 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 83 14.987 -3.840 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.175 -5.213 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.218 -3.592 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.989 -3.981 -1.228 1.00 0.00 H new ATOM 732 N SER A 84 14.577 -5.489 -3.510 1.00 0.00 N ATOM 733 CA SER A 84 14.504 -6.291 -4.726 1.00 0.00 C ATOM 734 C SER A 84 13.145 -6.977 -4.832 1.00 0.00 C ATOM 735 O SER A 84 12.556 -7.072 -5.908 1.00 0.00 O ATOM 736 CB SER A 84 15.621 -7.333 -4.723 1.00 0.00 C ATOM 737 OG SER A 84 16.868 -6.731 -4.413 1.00 0.00 O ATOM 0 H SER A 84 15.301 -5.782 -2.854 1.00 0.00 H new ATOM 0 HA SER A 84 14.627 -5.636 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.396 -8.112 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.677 -7.816 -5.699 1.00 0.00 H new ATOM 0 HG SER A 84 17.570 -7.414 -4.414 1.00 0.00 H new ATOM 743 N ASN A 85 12.644 -7.433 -3.696 1.00 0.00 N ATOM 744 CA ASN A 85 11.358 -8.107 -3.639 1.00 0.00 C ATOM 745 C ASN A 85 10.273 -7.189 -3.095 1.00 0.00 C ATOM 746 O ASN A 85 9.238 -7.660 -2.621 1.00 0.00 O ATOM 747 CB ASN A 85 11.452 -9.349 -2.761 1.00 0.00 C ATOM 748 CG ASN A 85 12.193 -9.081 -1.460 1.00 0.00 C ATOM 749 OD1 ASN A 85 11.865 -8.156 -0.717 1.00 0.00 O ATOM 750 ND2 ASN A 85 13.200 -9.890 -1.176 1.00 0.00 N ATOM 0 H ASN A 85 13.113 -7.347 -2.794 1.00 0.00 H new ATOM 0 HA ASN A 85 11.092 -8.394 -4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.448 -9.710 -2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.961 -10.142 -3.310 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.734 -9.758 -0.317 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.443 -10.646 -1.816 1.00 0.00 H new ATOM 757 N PHE A 86 10.494 -5.887 -3.196 1.00 0.00 N ATOM 758 CA PHE A 86 9.524 -4.906 -2.722 1.00 0.00 C ATOM 759 C PHE A 86 8.184 -5.088 -3.419 1.00 0.00 C ATOM 760 O PHE A 86 7.126 -5.021 -2.794 1.00 0.00 O ATOM 761 CB PHE A 86 10.030 -3.484 -2.976 1.00 0.00 C ATOM 762 CG PHE A 86 8.995 -2.427 -2.721 1.00 0.00 C ATOM 763 CD1 PHE A 86 8.412 -2.299 -1.476 1.00 0.00 C ATOM 764 CD2 PHE A 86 8.591 -1.578 -3.737 1.00 0.00 C ATOM 765 CE1 PHE A 86 7.446 -1.344 -1.242 1.00 0.00 C ATOM 766 CE2 PHE A 86 7.628 -0.619 -3.511 1.00 0.00 C ATOM 767 CZ PHE A 86 7.051 -0.501 -2.262 1.00 0.00 C ATOM 0 H PHE A 86 11.338 -5.483 -3.602 1.00 0.00 H new ATOM 0 HA PHE A 86 9.394 -5.061 -1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.895 -3.295 -2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.370 -3.407 -4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.717 -2.956 -0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.035 -1.668 -4.717 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.999 -1.255 -0.263 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.324 0.040 -4.311 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.294 0.248 -2.083 1.00 0.00 H new ATOM 777 N ASP A 87 8.246 -5.258 -4.729 1.00 0.00 N ATOM 778 CA ASP A 87 7.048 -5.361 -5.550 1.00 0.00 C ATOM 779 C ASP A 87 6.223 -6.571 -5.128 1.00 0.00 C ATOM 780 O ASP A 87 5.004 -6.493 -4.974 1.00 0.00 O ATOM 781 CB ASP A 87 7.435 -5.475 -7.027 1.00 0.00 C ATOM 782 CG ASP A 87 6.330 -5.029 -7.960 1.00 0.00 C ATOM 783 OD1 ASP A 87 5.312 -5.751 -8.054 1.00 0.00 O ATOM 784 OD2 ASP A 87 6.471 -3.972 -8.613 1.00 0.00 O ATOM 0 H ASP A 87 9.119 -5.328 -5.251 1.00 0.00 H new ATOM 0 HA ASP A 87 6.446 -4.463 -5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.325 -4.874 -7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.697 -6.509 -7.250 1.00 0.00 H new ATOM 789 N LEU A 88 6.920 -7.670 -4.883 1.00 0.00 N ATOM 790 CA LEU A 88 6.293 -8.906 -4.439 1.00 0.00 C ATOM 791 C LEU A 88 5.736 -8.749 -3.023 1.00 0.00 C ATOM 792 O LEU A 88 4.584 -9.093 -2.751 1.00 0.00 O ATOM 793 CB LEU A 88 7.325 -10.047 -4.507 1.00 0.00 C ATOM 794 CG LEU A 88 6.804 -11.465 -4.231 1.00 0.00 C ATOM 795 CD1 LEU A 88 6.970 -11.833 -2.767 1.00 0.00 C ATOM 796 CD2 LEU A 88 5.347 -11.581 -4.642 1.00 0.00 C ATOM 0 H LEU A 88 7.933 -7.731 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 88 5.456 -9.146 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.778 -10.038 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.119 -9.831 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 88 7.394 -12.163 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.593 -12.842 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.026 -11.791 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.411 -11.130 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.991 -12.591 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.751 -10.867 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.251 -11.368 -5.707 1.00 0.00 H new ATOM 808 N TYR A 89 6.566 -8.235 -2.131 1.00 0.00 N ATOM 809 CA TYR A 89 6.197 -8.074 -0.731 1.00 0.00 C ATOM 810 C TYR A 89 5.013 -7.130 -0.556 1.00 0.00 C ATOM 811 O TYR A 89 4.123 -7.389 0.256 1.00 0.00 O ATOM 812 CB TYR A 89 7.388 -7.552 0.063 1.00 0.00 C ATOM 813 CG TYR A 89 8.421 -8.601 0.401 1.00 0.00 C ATOM 814 CD1 TYR A 89 8.477 -9.801 -0.291 1.00 0.00 C ATOM 815 CD2 TYR A 89 9.347 -8.387 1.412 1.00 0.00 C ATOM 816 CE1 TYR A 89 9.419 -10.761 0.013 1.00 0.00 C ATOM 817 CE2 TYR A 89 10.298 -9.338 1.723 1.00 0.00 C ATOM 818 CZ TYR A 89 10.329 -10.526 1.021 1.00 0.00 C ATOM 819 OH TYR A 89 11.273 -11.481 1.330 1.00 0.00 O ATOM 0 H TYR A 89 7.510 -7.919 -2.353 1.00 0.00 H new ATOM 0 HA TYR A 89 5.900 -9.054 -0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.869 -6.757 -0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.025 -7.106 0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.768 -9.988 -1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.323 -7.460 1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.444 -11.691 -0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.013 -9.154 2.511 1.00 0.00 H new ATOM 0 HH TYR A 89 11.838 -11.158 2.063 1.00 0.00 H new ATOM 829 N PHE A 90 5.033 -6.017 -1.282 1.00 0.00 N ATOM 830 CA PHE A 90 3.978 -5.014 -1.179 1.00 0.00 C ATOM 831 C PHE A 90 2.625 -5.628 -1.510 1.00 0.00 C ATOM 832 O PHE A 90 1.650 -5.435 -0.785 1.00 0.00 O ATOM 833 CB PHE A 90 4.249 -3.844 -2.128 1.00 0.00 C ATOM 834 CG PHE A 90 3.222 -2.750 -2.036 1.00 0.00 C ATOM 835 CD1 PHE A 90 3.253 -1.837 -0.994 1.00 0.00 C ATOM 836 CD2 PHE A 90 2.238 -2.626 -3.003 1.00 0.00 C ATOM 837 CE1 PHE A 90 2.315 -0.825 -0.914 1.00 0.00 C ATOM 838 CE2 PHE A 90 1.300 -1.614 -2.927 1.00 0.00 C ATOM 839 CZ PHE A 90 1.310 -0.743 -1.853 1.00 0.00 C ATOM 0 H PHE A 90 5.769 -5.786 -1.949 1.00 0.00 H new ATOM 0 HA PHE A 90 3.965 -4.645 -0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.232 -3.428 -1.909 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.282 -4.216 -3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.018 -1.917 -0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.204 -3.327 -3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.370 -0.099 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.560 -1.503 -3.706 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.532 -0.001 -1.751 1.00 0.00 H new ATOM 849 N ASN A 91 2.580 -6.369 -2.605 1.00 0.00 N ATOM 850 CA ASN A 91 1.346 -7.001 -3.054 1.00 0.00 C ATOM 851 C ASN A 91 0.830 -7.999 -2.034 1.00 0.00 C ATOM 852 O ASN A 91 -0.358 -8.002 -1.717 1.00 0.00 O ATOM 853 CB ASN A 91 1.551 -7.677 -4.406 1.00 0.00 C ATOM 854 CG ASN A 91 1.445 -6.694 -5.549 1.00 0.00 C ATOM 855 OD1 ASN A 91 0.378 -6.138 -5.805 1.00 0.00 O ATOM 856 ND2 ASN A 91 2.553 -6.448 -6.227 1.00 0.00 N ATOM 0 H ASN A 91 3.386 -6.549 -3.203 1.00 0.00 H new ATOM 0 HA ASN A 91 0.595 -6.219 -3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.530 -8.155 -4.428 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.809 -8.465 -4.534 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.543 -5.776 -6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.418 -6.930 -5.983 1.00 0.00 H new ATOM 863 N ASN A 92 1.726 -8.803 -1.472 1.00 0.00 N ATOM 864 CA ASN A 92 1.336 -9.761 -0.440 1.00 0.00 C ATOM 865 C ASN A 92 0.826 -9.043 0.802 1.00 0.00 C ATOM 866 O ASN A 92 -0.162 -9.462 1.404 1.00 0.00 O ATOM 867 CB ASN A 92 2.489 -10.694 -0.071 1.00 0.00 C ATOM 868 CG ASN A 92 2.697 -11.786 -1.100 1.00 0.00 C ATOM 869 OD1 ASN A 92 1.742 -12.399 -1.574 1.00 0.00 O ATOM 870 ND2 ASN A 92 3.945 -12.072 -1.416 1.00 0.00 N ATOM 0 H ASN A 92 2.718 -8.812 -1.709 1.00 0.00 H new ATOM 0 HA ASN A 92 0.530 -10.368 -0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.406 -10.113 0.029 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.291 -11.146 0.901 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.145 -12.825 -2.075 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.711 -11.541 -1.002 1.00 0.00 H new ATOM 877 N ALA A 93 1.464 -7.929 1.146 1.00 0.00 N ATOM 878 CA ALA A 93 1.031 -7.116 2.276 1.00 0.00 C ATOM 879 C ALA A 93 -0.376 -6.578 2.043 1.00 0.00 C ATOM 880 O ALA A 93 -1.236 -6.661 2.925 1.00 0.00 O ATOM 881 CB ALA A 93 2.001 -5.971 2.511 1.00 0.00 C ATOM 0 H ALA A 93 2.284 -7.569 0.658 1.00 0.00 H new ATOM 0 HA ALA A 93 1.017 -7.747 3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.662 -5.375 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.992 -6.372 2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.046 -5.344 1.621 1.00 0.00 H new ATOM 887 N ILE A 94 -0.624 -6.102 0.825 1.00 0.00 N ATOM 888 CA ILE A 94 -1.950 -5.641 0.430 1.00 0.00 C ATOM 889 C ILE A 94 -2.949 -6.786 0.523 1.00 0.00 C ATOM 890 O ILE A 94 -3.979 -6.673 1.180 1.00 0.00 O ATOM 891 CB ILE A 94 -1.957 -5.097 -1.019 1.00 0.00 C ATOM 892 CG1 ILE A 94 -1.046 -3.874 -1.148 1.00 0.00 C ATOM 893 CG2 ILE A 94 -3.375 -4.751 -1.454 1.00 0.00 C ATOM 894 CD1 ILE A 94 -1.557 -2.656 -0.414 1.00 0.00 C ATOM 0 H ILE A 94 0.081 -6.026 0.092 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.229 -4.835 1.109 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.573 -5.879 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.056 -4.128 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.929 -3.629 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.360 -4.370 -2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.998 -5.645 -1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.784 -3.990 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.860 -1.830 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.533 -2.376 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.647 -2.883 0.648 1.00 0.00 H new ATOM 906 N LYS A 95 -2.610 -7.889 -0.130 1.00 0.00 N ATOM 907 CA LYS A 95 -3.453 -9.084 -0.164 1.00 0.00 C ATOM 908 C LYS A 95 -3.828 -9.560 1.233 1.00 0.00 C ATOM 909 O LYS A 95 -4.993 -9.848 1.508 1.00 0.00 O ATOM 910 CB LYS A 95 -2.734 -10.213 -0.898 1.00 0.00 C ATOM 911 CG LYS A 95 -2.647 -10.018 -2.399 1.00 0.00 C ATOM 912 CD LYS A 95 -1.791 -11.095 -3.045 1.00 0.00 C ATOM 913 CE LYS A 95 -1.977 -11.128 -4.551 1.00 0.00 C ATOM 914 NZ LYS A 95 -3.353 -11.554 -4.927 1.00 0.00 N ATOM 0 H LYS A 95 -1.740 -7.984 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.369 -8.815 -0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.726 -10.309 -0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.250 -11.151 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.648 -10.039 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.227 -9.036 -2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.742 -10.915 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.049 -12.067 -2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.777 -10.139 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.251 -11.811 -4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.352 -11.906 -5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.669 -12.311 -4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.000 -10.744 -4.851 1.00 0.00 H new ATOM 928 N LYS A 96 -2.836 -9.687 2.098 1.00 0.00 N ATOM 929 CA LYS A 96 -3.061 -10.196 3.440 1.00 0.00 C ATOM 930 C LYS A 96 -3.791 -9.163 4.286 1.00 0.00 C ATOM 931 O LYS A 96 -4.547 -9.503 5.194 1.00 0.00 O ATOM 932 CB LYS A 96 -1.735 -10.578 4.097 1.00 0.00 C ATOM 933 CG LYS A 96 -1.801 -11.889 4.862 1.00 0.00 C ATOM 934 CD LYS A 96 -2.090 -13.059 3.932 1.00 0.00 C ATOM 935 CE LYS A 96 -1.020 -13.209 2.858 1.00 0.00 C ATOM 936 NZ LYS A 96 -1.312 -14.343 1.939 1.00 0.00 N ATOM 0 H LYS A 96 -1.866 -9.444 1.895 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.683 -11.089 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.965 -10.651 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.432 -9.783 4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.857 -12.058 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.577 -11.828 5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.152 -13.979 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.061 -12.915 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.950 -12.285 2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.050 -13.365 3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.561 -14.412 1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.354 -15.229 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.225 -14.182 1.468 1.00 0.00 H new ATOM 950 N GLY A 97 -3.547 -7.900 3.991 1.00 0.00 N ATOM 951 CA GLY A 97 -4.173 -6.833 4.735 1.00 0.00 C ATOM 952 C GLY A 97 -5.631 -6.633 4.365 1.00 0.00 C ATOM 953 O GLY A 97 -6.455 -6.318 5.228 1.00 0.00 O ATOM 0 H GLY A 97 -2.923 -7.593 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.100 -7.048 5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.628 -5.906 4.559 1.00 0.00 H new ATOM 957 N VAL A 98 -5.947 -6.749 3.077 1.00 0.00 N ATOM 958 CA VAL A 98 -7.312 -6.522 2.614 1.00 0.00 C ATOM 959 C VAL A 98 -8.252 -7.622 3.098 1.00 0.00 C ATOM 960 O VAL A 98 -9.373 -7.345 3.518 1.00 0.00 O ATOM 961 CB VAL A 98 -7.414 -6.360 1.073 1.00 0.00 C ATOM 962 CG1 VAL A 98 -6.700 -5.094 0.614 1.00 0.00 C ATOM 963 CG2 VAL A 98 -6.861 -7.574 0.348 1.00 0.00 C ATOM 0 H VAL A 98 -5.283 -6.996 2.343 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.623 -5.574 3.053 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.471 -6.274 0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.784 -5.001 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -7.157 -4.226 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.648 -5.148 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.948 -7.426 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.812 -7.709 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.425 -8.460 0.639 1.00 0.00 H new ATOM 973 N GLU A 99 -7.769 -8.859 3.126 1.00 0.00 N ATOM 974 CA GLU A 99 -8.562 -9.965 3.651 1.00 0.00 C ATOM 975 C GLU A 99 -8.787 -9.802 5.152 1.00 0.00 C ATOM 976 O GLU A 99 -9.869 -10.091 5.665 1.00 0.00 O ATOM 977 CB GLU A 99 -7.886 -11.306 3.369 1.00 0.00 C ATOM 978 CG GLU A 99 -6.421 -11.340 3.755 1.00 0.00 C ATOM 979 CD GLU A 99 -5.913 -12.751 3.953 1.00 0.00 C ATOM 980 OE1 GLU A 99 -5.844 -13.506 2.961 1.00 0.00 O ATOM 981 OE2 GLU A 99 -5.564 -13.108 5.098 1.00 0.00 O ATOM 0 H GLU A 99 -6.840 -9.120 2.795 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.528 -9.950 3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.414 -12.091 3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.979 -11.534 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.832 -10.849 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.276 -10.772 4.674 1.00 0.00 H new ATOM 988 N ALA A 100 -7.750 -9.340 5.844 1.00 0.00 N ATOM 989 CA ALA A 100 -7.809 -9.130 7.286 1.00 0.00 C ATOM 990 C ALA A 100 -8.781 -8.011 7.631 1.00 0.00 C ATOM 991 O ALA A 100 -9.389 -8.009 8.702 1.00 0.00 O ATOM 992 CB ALA A 100 -6.422 -8.812 7.828 1.00 0.00 C ATOM 0 H ALA A 100 -6.851 -9.102 5.424 1.00 0.00 H new ATOM 0 HA ALA A 100 -8.168 -10.048 7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.479 -8.657 8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.749 -9.643 7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.044 -7.908 7.351 1.00 0.00 H new ATOM 998 N GLY A 101 -8.910 -7.056 6.726 1.00 0.00 N ATOM 999 CA GLY A 101 -9.783 -5.929 6.960 1.00 0.00 C ATOM 1000 C GLY A 101 -9.039 -4.760 7.567 1.00 0.00 C ATOM 1001 O GLY A 101 -9.593 -4.003 8.362 1.00 0.00 O ATOM 0 H GLY A 101 -8.423 -7.042 5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.239 -5.621 6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.594 -6.229 7.624 1.00 0.00 H new ATOM 1005 N ASP A 102 -7.800 -4.577 7.134 1.00 0.00 N ATOM 1006 CA ASP A 102 -6.990 -3.451 7.584 1.00 0.00 C ATOM 1007 C ASP A 102 -6.762 -2.518 6.408 1.00 0.00 C ATOM 1008 O ASP A 102 -6.669 -1.301 6.564 1.00 0.00 O ATOM 1009 CB ASP A 102 -5.654 -3.927 8.158 1.00 0.00 C ATOM 1010 CG ASP A 102 -5.129 -3.014 9.254 1.00 0.00 C ATOM 1011 OD1 ASP A 102 -5.842 -2.060 9.627 1.00 0.00 O ATOM 1012 OD2 ASP A 102 -3.986 -3.222 9.719 1.00 0.00 O ATOM 0 H ASP A 102 -7.332 -5.194 6.470 1.00 0.00 H new ATOM 0 HA ASP A 102 -7.516 -2.924 8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.772 -4.935 8.556 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -4.918 -3.985 7.356 1.00 0.00 H new ATOM 1017 N PHE A 103 -6.878 -3.085 5.214 1.00 0.00 N ATOM 1018 CA PHE A 103 -6.912 -2.305 3.989 1.00 0.00 C ATOM 1019 C PHE A 103 -8.031 -2.859 3.115 1.00 0.00 C ATOM 1020 O PHE A 103 -8.419 -4.009 3.278 1.00 0.00 O ATOM 1021 CB PHE A 103 -5.582 -2.365 3.224 1.00 0.00 C ATOM 1022 CG PHE A 103 -4.358 -2.430 4.094 1.00 0.00 C ATOM 1023 CD1 PHE A 103 -3.929 -3.639 4.609 1.00 0.00 C ATOM 1024 CD2 PHE A 103 -3.630 -1.288 4.378 1.00 0.00 C ATOM 1025 CE1 PHE A 103 -2.800 -3.714 5.397 1.00 0.00 C ATOM 1026 CE2 PHE A 103 -2.494 -1.354 5.166 1.00 0.00 C ATOM 1027 CZ PHE A 103 -2.080 -2.568 5.677 1.00 0.00 C ATOM 0 H PHE A 103 -6.951 -4.092 5.070 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.085 -1.259 4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.593 -3.238 2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.508 -1.487 2.582 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.486 -4.538 4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -3.951 -0.336 3.981 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.479 -4.666 5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.932 -0.457 5.381 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.195 -2.622 6.294 1.00 0.00 H new ATOM 1037 N GLU A 104 -8.592 -2.034 2.245 1.00 0.00 N ATOM 1038 CA GLU A 104 -9.687 -2.467 1.381 1.00 0.00 C ATOM 1039 C GLU A 104 -9.545 -1.841 0.002 1.00 0.00 C ATOM 1040 O GLU A 104 -9.526 -0.620 -0.128 1.00 0.00 O ATOM 1041 CB GLU A 104 -11.043 -2.069 1.983 1.00 0.00 C ATOM 1042 CG GLU A 104 -11.499 -2.937 3.149 1.00 0.00 C ATOM 1043 CD GLU A 104 -12.114 -4.249 2.703 1.00 0.00 C ATOM 1044 OE1 GLU A 104 -13.065 -4.229 1.894 1.00 0.00 O ATOM 1045 OE2 GLU A 104 -11.624 -5.310 3.139 1.00 0.00 O ATOM 0 H GLU A 104 -8.310 -1.062 2.116 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.642 -3.553 1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.987 -1.033 2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.800 -2.110 1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.647 -3.143 3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.226 -2.384 3.744 1.00 0.00 H new ATOM 1052 N GLN A 105 -9.489 -2.673 -1.026 1.00 0.00 N ATOM 1053 CA GLN A 105 -9.431 -2.184 -2.396 1.00 0.00 C ATOM 1054 C GLN A 105 -10.818 -2.163 -3.023 1.00 0.00 C ATOM 1055 O GLN A 105 -11.353 -3.210 -3.395 1.00 0.00 O ATOM 1056 CB GLN A 105 -8.535 -3.061 -3.268 1.00 0.00 C ATOM 1057 CG GLN A 105 -7.046 -2.881 -3.061 1.00 0.00 C ATOM 1058 CD GLN A 105 -6.249 -3.614 -4.124 1.00 0.00 C ATOM 1059 OE1 GLN A 105 -6.283 -3.252 -5.300 1.00 0.00 O ATOM 1060 NE2 GLN A 105 -5.551 -4.666 -3.732 1.00 0.00 N ATOM 0 H GLN A 105 -9.482 -3.689 -0.939 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.021 -1.175 -2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.786 -4.105 -3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.766 -2.859 -4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.799 -1.820 -3.086 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.767 -3.251 -2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.546 -4.937 -2.749 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.018 -5.207 -4.413 1.00 0.00 H new ATOM 1069 N PRO A 106 -11.395 -0.974 -3.217 1.00 0.00 N ATOM 1070 CA PRO A 106 -12.679 -0.833 -3.900 1.00 0.00 C ATOM 1071 C PRO A 106 -12.598 -1.309 -5.350 1.00 0.00 C ATOM 1072 O PRO A 106 -13.556 -1.860 -5.893 1.00 0.00 O ATOM 1073 CB PRO A 106 -12.965 0.670 -3.837 1.00 0.00 C ATOM 1074 CG PRO A 106 -11.634 1.312 -3.648 1.00 0.00 C ATOM 1075 CD PRO A 106 -10.809 0.332 -2.861 1.00 0.00 C ATOM 0 HA PRO A 106 -13.461 -1.435 -3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -13.444 1.019 -4.752 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -13.638 0.909 -3.014 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -11.167 1.532 -4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.729 2.258 -3.115 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -9.755 0.386 -3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -10.873 0.522 -1.790 1.00 0.00 H new ATOM 1083 N LYS A 107 -11.441 -1.093 -5.971 1.00 0.00 N ATOM 1084 CA LYS A 107 -11.225 -1.472 -7.361 1.00 0.00 C ATOM 1085 C LYS A 107 -10.757 -2.926 -7.507 1.00 0.00 C ATOM 1086 O LYS A 107 -10.066 -3.267 -8.469 1.00 0.00 O ATOM 1087 CB LYS A 107 -10.207 -0.526 -8.003 1.00 0.00 C ATOM 1088 CG LYS A 107 -10.746 0.877 -8.241 1.00 0.00 C ATOM 1089 CD LYS A 107 -9.670 1.798 -8.800 1.00 0.00 C ATOM 1090 CE LYS A 107 -10.263 2.999 -9.523 1.00 0.00 C ATOM 1091 NZ LYS A 107 -11.237 3.752 -8.685 1.00 0.00 N ATOM 0 H LYS A 107 -10.634 -0.654 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.183 -1.391 -7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.327 -0.464 -7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -9.881 -0.947 -8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.586 0.833 -8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.127 1.286 -7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.031 2.144 -7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.036 1.238 -9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.458 3.668 -9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.758 2.661 -10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.520 4.622 -9.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.077 3.162 -8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.796 3.998 -7.776 1.00 0.00 H new ATOM 1105 N GLY A 108 -11.227 -3.797 -6.624 1.00 0.00 N ATOM 1106 CA GLY A 108 -10.928 -5.211 -6.743 1.00 0.00 C ATOM 1107 C GLY A 108 -9.555 -5.577 -6.212 1.00 0.00 C ATOM 1108 O GLY A 108 -9.201 -5.201 -5.101 1.00 0.00 O ATOM 0 H GLY A 108 -11.811 -3.549 -5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.683 -5.782 -6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -10.995 -5.503 -7.791 1.00 0.00 H new ATOM 1112 N PRO A 109 -8.827 -6.445 -6.920 1.00 0.00 N ATOM 1113 CA PRO A 109 -7.546 -6.971 -6.456 1.00 0.00 C ATOM 1114 C PRO A 109 -6.336 -6.146 -6.902 1.00 0.00 C ATOM 1115 O PRO A 109 -5.265 -6.230 -6.297 1.00 0.00 O ATOM 1116 CB PRO A 109 -7.509 -8.349 -7.096 1.00 0.00 C ATOM 1117 CG PRO A 109 -8.273 -8.205 -8.371 1.00 0.00 C ATOM 1118 CD PRO A 109 -9.258 -7.085 -8.172 1.00 0.00 C ATOM 0 HA PRO A 109 -7.480 -6.963 -5.368 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -6.484 -8.669 -7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.963 -9.098 -6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.601 -7.984 -9.200 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -8.789 -9.133 -8.618 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.237 -6.383 -9.006 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.278 -7.461 -8.097 1.00 0.00 H new ATOM 1126 N ALA A 110 -6.457 -5.478 -8.042 1.00 0.00 N ATOM 1127 CA ALA A 110 -5.320 -4.787 -8.634 1.00 0.00 C ATOM 1128 C ALA A 110 -5.669 -3.350 -8.997 1.00 0.00 C ATOM 1129 O ALA A 110 -5.393 -2.895 -10.108 1.00 0.00 O ATOM 1130 CB ALA A 110 -4.833 -5.548 -9.857 1.00 0.00 C ATOM 0 H ALA A 110 -7.325 -5.400 -8.572 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.519 -4.751 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.982 -5.026 -10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.530 -6.553 -9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.637 -5.611 -10.590 1.00 0.00 H new ATOM 1136 N GLY A 111 -6.207 -2.617 -8.038 1.00 0.00 N ATOM 1137 CA GLY A 111 -6.531 -1.229 -8.274 1.00 0.00 C ATOM 1138 C GLY A 111 -6.176 -0.351 -7.097 1.00 0.00 C ATOM 1139 O GLY A 111 -5.137 -0.542 -6.463 1.00 0.00 O ATOM 0 H GLY A 111 -6.425 -2.958 -7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.000 -0.879 -9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.596 -1.137 -8.485 1.00 0.00 H new ATOM 1143 N ALA A 112 -7.033 0.612 -6.809 1.00 0.00 N ATOM 1144 CA ALA A 112 -6.829 1.514 -5.685 1.00 0.00 C ATOM 1145 C ALA A 112 -7.253 0.852 -4.384 1.00 0.00 C ATOM 1146 O ALA A 112 -8.263 0.155 -4.343 1.00 0.00 O ATOM 1147 CB ALA A 112 -7.597 2.809 -5.893 1.00 0.00 C ATOM 0 H ALA A 112 -7.884 0.792 -7.342 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.766 1.748 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.432 3.470 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.249 3.296 -6.804 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.661 2.591 -5.982 1.00 0.00 H new ATOM 1153 N VAL A 113 -6.512 1.119 -3.319 1.00 0.00 N ATOM 1154 CA VAL A 113 -6.857 0.620 -1.996 1.00 0.00 C ATOM 1155 C VAL A 113 -7.063 1.785 -1.036 1.00 0.00 C ATOM 1156 O VAL A 113 -6.360 2.790 -1.111 1.00 0.00 O ATOM 1157 CB VAL A 113 -5.775 -0.343 -1.439 1.00 0.00 C ATOM 1158 CG1 VAL A 113 -4.415 0.315 -1.437 1.00 0.00 C ATOM 1159 CG2 VAL A 113 -6.128 -0.825 -0.038 1.00 0.00 C ATOM 0 H VAL A 113 -5.662 1.682 -3.346 1.00 0.00 H new ATOM 0 HA VAL A 113 -7.784 0.055 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.741 -1.210 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.675 -0.381 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.144 0.594 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.444 1.208 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.350 -1.498 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.207 0.031 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.081 -1.354 -0.064 1.00 0.00 H new ATOM 1169 N LYS A 114 -8.023 1.646 -0.138 1.00 0.00 N ATOM 1170 CA LYS A 114 -8.289 2.658 0.872 1.00 0.00 C ATOM 1171 C LYS A 114 -8.101 2.055 2.252 1.00 0.00 C ATOM 1172 O LYS A 114 -8.356 0.863 2.442 1.00 0.00 O ATOM 1173 CB LYS A 114 -9.709 3.232 0.718 1.00 0.00 C ATOM 1174 CG LYS A 114 -10.827 2.188 0.663 1.00 0.00 C ATOM 1175 CD LYS A 114 -11.296 1.757 2.051 1.00 0.00 C ATOM 1176 CE LYS A 114 -11.962 2.898 2.801 1.00 0.00 C ATOM 1177 NZ LYS A 114 -12.369 2.498 4.175 1.00 0.00 N ATOM 0 H LYS A 114 -8.638 0.833 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.586 3.481 0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.904 3.907 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.746 3.830 -0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -11.672 2.595 0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -10.476 1.314 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -11.996 0.927 1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.444 1.392 2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.277 3.744 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -12.838 3.234 2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.007 3.218 4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.860 1.582 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -11.525 2.414 4.777 1.00 0.00 H new ATOM 1191 N LEU A 115 -7.570 2.832 3.186 1.00 0.00 N ATOM 1192 CA LEU A 115 -7.346 2.318 4.529 1.00 0.00 C ATOM 1193 C LEU A 115 -8.645 1.831 5.137 1.00 0.00 C ATOM 1194 O LEU A 115 -9.669 2.520 5.085 1.00 0.00 O ATOM 1195 CB LEU A 115 -6.723 3.366 5.440 1.00 0.00 C ATOM 1196 CG LEU A 115 -5.227 3.557 5.269 1.00 0.00 C ATOM 1197 CD1 LEU A 115 -4.667 4.332 6.440 1.00 0.00 C ATOM 1198 CD2 LEU A 115 -4.529 2.214 5.120 1.00 0.00 C ATOM 0 H LEU A 115 -7.291 3.803 3.043 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.649 1.485 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.219 4.321 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.923 3.091 6.476 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.047 4.129 4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.593 4.464 6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.149 5.308 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.855 3.783 7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.457 2.372 4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.708 1.610 6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -4.921 1.696 4.245 1.00 0.00 H new ATOM 1210 N ALA A 116 -8.618 0.618 5.652 1.00 0.00 N ATOM 1211 CA ALA A 116 -9.816 0.022 6.200 1.00 0.00 C ATOM 1212 C ALA A 116 -9.840 0.071 7.713 1.00 0.00 C ATOM 1213 O ALA A 116 -9.063 -0.602 8.390 1.00 0.00 O ATOM 1214 CB ALA A 116 -9.978 -1.407 5.728 1.00 0.00 C ATOM 0 H ALA A 116 -7.785 0.031 5.702 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.654 0.615 5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.887 -1.831 6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -10.046 -1.425 4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.118 -1.996 6.048 1.00 0.00 H new