USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 774 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 LYS NZ :NH3+ 167:sc= 0.752 (180deg=-0.201) USER MOD Set 1.2: A 83 THR OG1 : rot -109:sc= 0.781 USER MOD Single : A 8 ASN : amide:sc= -0.835 K(o=-0.84,f=0) USER MOD Single : A 13 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 19 CYS SG : rot -68:sc= -1.19! USER MOD Single : A 20 LYS NZ :NH3+ 158:sc=-0.00839 (180deg=-0.199) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.511 K(o=-0.51,f=-1.5) USER MOD Single : A 28 LYS NZ :NH3+ -108:sc= 1.23 (180deg=0.0176) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= 0.615 (180deg=0.458) USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.15) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0411) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.6 (180deg=-1.36) USER MOD Single : A 53 GLN : amide:sc= -4.91! C(o=-4.9!,f=-9.2!) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 1.25 (180deg=0.991) USER MOD Single : A 56 SER OG : rot -120:sc= 1.26 USER MOD Single : A 69 GLN : amide:sc= -2.16! X(o=-2.2!,f=-2) USER MOD Single : A 70 ASN : amide:sc= -2.92! K(o=-2.9!,f=-2.4) USER MOD Single : A 72 SER OG : rot -160:sc= -0.745 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0416) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -36:sc= 0.0529 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -110:sc= -1.05 (180deg=-4.47) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -14.446 7.006 3.369 1.00 0.00 N ATOM 61 CA GLY A 5 -13.545 7.784 4.196 1.00 0.00 C ATOM 62 C GLY A 5 -12.425 6.943 4.768 1.00 0.00 C ATOM 63 O GLY A 5 -11.677 7.399 5.637 1.00 0.00 O ATOM 0 HA2 GLY A 5 -13.122 8.596 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.106 8.242 5.011 1.00 0.00 H new ATOM 67 N ILE A 6 -12.309 5.711 4.284 1.00 0.00 N ATOM 68 CA ILE A 6 -11.204 4.844 4.663 1.00 0.00 C ATOM 69 C ILE A 6 -9.905 5.440 4.148 1.00 0.00 C ATOM 70 O ILE A 6 -8.887 5.455 4.839 1.00 0.00 O ATOM 71 CB ILE A 6 -11.381 3.414 4.099 1.00 0.00 C ATOM 72 CG1 ILE A 6 -12.613 2.743 4.715 1.00 0.00 C ATOM 73 CG2 ILE A 6 -10.136 2.569 4.346 1.00 0.00 C ATOM 74 CD1 ILE A 6 -12.518 2.553 6.215 1.00 0.00 C ATOM 0 H ILE A 6 -12.968 5.292 3.628 1.00 0.00 H new ATOM 0 HA ILE A 6 -11.183 4.772 5.750 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.528 3.493 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -13.494 3.344 4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.760 1.771 4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.288 1.569 3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.279 3.033 3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.950 2.500 5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.426 2.072 6.579 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.657 1.926 6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.402 3.523 6.698 1.00 0.00 H new ATOM 86 N LEU A 7 -9.970 5.970 2.940 1.00 0.00 N ATOM 87 CA LEU A 7 -8.829 6.608 2.318 1.00 0.00 C ATOM 88 C LEU A 7 -9.270 7.883 1.615 1.00 0.00 C ATOM 89 O LEU A 7 -10.384 7.963 1.093 1.00 0.00 O ATOM 90 CB LEU A 7 -8.073 5.640 1.363 1.00 0.00 C ATOM 91 CG LEU A 7 -8.816 5.036 0.137 1.00 0.00 C ATOM 92 CD1 LEU A 7 -10.099 4.317 0.525 1.00 0.00 C ATOM 93 CD2 LEU A 7 -9.088 6.083 -0.936 1.00 0.00 C ATOM 0 H LEU A 7 -10.813 5.969 2.366 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.116 6.879 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.199 6.170 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.706 4.808 1.965 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.142 4.290 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.576 3.916 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.866 3.501 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.776 5.018 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.608 5.619 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.707 6.878 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.144 6.502 -1.283 1.00 0.00 H new ATOM 105 N ASN A 8 -8.417 8.891 1.645 1.00 0.00 N ATOM 106 CA ASN A 8 -8.713 10.158 0.997 1.00 0.00 C ATOM 107 C ASN A 8 -8.291 10.085 -0.460 1.00 0.00 C ATOM 108 O ASN A 8 -7.103 10.108 -0.775 1.00 0.00 O ATOM 109 CB ASN A 8 -7.986 11.315 1.697 1.00 0.00 C ATOM 110 CG ASN A 8 -8.374 11.477 3.160 1.00 0.00 C ATOM 111 OD1 ASN A 8 -7.573 11.930 3.978 1.00 0.00 O ATOM 112 ND2 ASN A 8 -9.598 11.108 3.506 1.00 0.00 N ATOM 0 H ASN A 8 -7.511 8.857 2.112 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.785 10.344 1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.910 11.152 1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.201 12.243 1.167 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.902 11.195 4.476 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.237 10.737 2.803 1.00 0.00 H new ATOM 119 N ASP A 9 -9.289 9.991 -1.337 1.00 0.00 N ATOM 120 CA ASP A 9 -9.078 9.837 -2.781 1.00 0.00 C ATOM 121 C ASP A 9 -8.076 10.853 -3.318 1.00 0.00 C ATOM 122 O ASP A 9 -7.253 10.533 -4.172 1.00 0.00 O ATOM 123 CB ASP A 9 -10.418 9.982 -3.511 1.00 0.00 C ATOM 124 CG ASP A 9 -10.272 10.054 -5.018 1.00 0.00 C ATOM 125 OD1 ASP A 9 -10.155 8.996 -5.667 1.00 0.00 O ATOM 126 OD2 ASP A 9 -10.297 11.177 -5.568 1.00 0.00 O ATOM 0 H ASP A 9 -10.272 10.019 -1.068 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.664 8.844 -2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.058 9.137 -3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.921 10.882 -3.158 1.00 0.00 H new ATOM 131 N ALA A 10 -8.150 12.068 -2.802 1.00 0.00 N ATOM 132 CA ALA A 10 -7.247 13.140 -3.199 1.00 0.00 C ATOM 133 C ALA A 10 -5.789 12.795 -2.889 1.00 0.00 C ATOM 134 O ALA A 10 -4.917 12.954 -3.741 1.00 0.00 O ATOM 135 CB ALA A 10 -7.645 14.425 -2.494 1.00 0.00 C ATOM 0 H ALA A 10 -8.835 12.341 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.329 13.272 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.969 15.227 -2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.666 14.690 -2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.586 14.281 -1.415 1.00 0.00 H new ATOM 141 N ASP A 11 -5.533 12.306 -1.679 1.00 0.00 N ATOM 142 CA ASP A 11 -4.167 11.998 -1.256 1.00 0.00 C ATOM 143 C ASP A 11 -3.614 10.807 -2.007 1.00 0.00 C ATOM 144 O ASP A 11 -2.437 10.782 -2.368 1.00 0.00 O ATOM 145 CB ASP A 11 -4.088 11.752 0.251 1.00 0.00 C ATOM 146 CG ASP A 11 -3.989 13.039 1.040 1.00 0.00 C ATOM 147 OD1 ASP A 11 -5.039 13.601 1.409 1.00 0.00 O ATOM 148 OD2 ASP A 11 -2.856 13.502 1.294 1.00 0.00 O ATOM 0 H ASP A 11 -6.247 12.115 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.557 12.870 -1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.970 11.198 0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.222 11.127 0.470 1.00 0.00 H new ATOM 153 N ILE A 12 -4.462 9.823 -2.240 1.00 0.00 N ATOM 154 CA ILE A 12 -4.089 8.682 -3.057 1.00 0.00 C ATOM 155 C ILE A 12 -3.704 9.162 -4.452 1.00 0.00 C ATOM 156 O ILE A 12 -2.623 8.858 -4.947 1.00 0.00 O ATOM 157 CB ILE A 12 -5.238 7.653 -3.138 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.260 6.752 -1.895 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.130 6.798 -4.395 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.560 7.472 -0.600 1.00 0.00 C ATOM 0 H ILE A 12 -5.414 9.790 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.235 8.186 -2.595 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.171 8.215 -3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.006 5.971 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.293 6.257 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.953 6.084 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.176 7.438 -5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.183 6.259 -4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.555 6.758 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.801 8.234 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.540 7.944 -0.665 1.00 0.00 H new ATOM 172 N THR A 13 -4.586 9.946 -5.054 1.00 0.00 N ATOM 173 CA THR A 13 -4.341 10.541 -6.359 1.00 0.00 C ATOM 174 C THR A 13 -3.031 11.336 -6.370 1.00 0.00 C ATOM 175 O THR A 13 -2.305 11.335 -7.364 1.00 0.00 O ATOM 176 CB THR A 13 -5.507 11.466 -6.751 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.742 10.740 -6.713 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.305 12.048 -8.138 1.00 0.00 C ATOM 0 H THR A 13 -5.492 10.187 -4.651 1.00 0.00 H new ATOM 0 HA THR A 13 -4.260 9.730 -7.083 1.00 0.00 H new ATOM 0 HB THR A 13 -5.540 12.286 -6.034 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.130 10.802 -5.815 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.145 12.697 -8.386 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.381 12.626 -8.159 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.244 11.239 -8.866 1.00 0.00 H new ATOM 186 N ALA A 14 -2.729 11.999 -5.256 1.00 0.00 N ATOM 187 CA ALA A 14 -1.499 12.775 -5.127 1.00 0.00 C ATOM 188 C ALA A 14 -0.272 11.864 -5.092 1.00 0.00 C ATOM 189 O ALA A 14 0.808 12.240 -5.550 1.00 0.00 O ATOM 190 CB ALA A 14 -1.550 13.647 -3.883 1.00 0.00 C ATOM 0 H ALA A 14 -3.322 12.014 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.414 13.419 -6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.626 14.219 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.395 14.332 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.666 13.017 -3.001 1.00 0.00 H new ATOM 196 N ALA A 15 -0.430 10.674 -4.528 1.00 0.00 N ATOM 197 CA ALA A 15 0.634 9.682 -4.552 1.00 0.00 C ATOM 198 C ALA A 15 0.799 9.135 -5.963 1.00 0.00 C ATOM 199 O ALA A 15 1.915 8.976 -6.450 1.00 0.00 O ATOM 200 CB ALA A 15 0.351 8.556 -3.574 1.00 0.00 C ATOM 0 H ALA A 15 -1.280 10.374 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 15 1.563 10.163 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.162 7.829 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.274 8.961 -2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.587 8.069 -3.842 1.00 0.00 H new ATOM 206 N LEU A 16 -0.329 8.874 -6.616 1.00 0.00 N ATOM 207 CA LEU A 16 -0.337 8.450 -8.016 1.00 0.00 C ATOM 208 C LEU A 16 0.326 9.502 -8.894 1.00 0.00 C ATOM 209 O LEU A 16 0.987 9.182 -9.876 1.00 0.00 O ATOM 210 CB LEU A 16 -1.768 8.209 -8.507 1.00 0.00 C ATOM 211 CG LEU A 16 -2.353 6.817 -8.243 1.00 0.00 C ATOM 212 CD1 LEU A 16 -1.535 5.743 -8.944 1.00 0.00 C ATOM 213 CD2 LEU A 16 -2.439 6.532 -6.758 1.00 0.00 C ATOM 0 H LEU A 16 -1.256 8.949 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 16 0.222 7.517 -8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.419 8.948 -8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.797 8.394 -9.581 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.364 6.801 -8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.970 4.764 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.538 5.926 -10.018 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.510 5.768 -8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.858 5.538 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.442 6.579 -6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.080 7.274 -6.282 1.00 0.00 H new ATOM 225 N ALA A 17 0.132 10.761 -8.529 1.00 0.00 N ATOM 226 CA ALA A 17 0.741 11.870 -9.241 1.00 0.00 C ATOM 227 C ALA A 17 2.251 11.858 -9.048 1.00 0.00 C ATOM 228 O ALA A 17 3.008 12.204 -9.956 1.00 0.00 O ATOM 229 CB ALA A 17 0.147 13.186 -8.762 1.00 0.00 C ATOM 0 H ALA A 17 -0.448 11.039 -7.737 1.00 0.00 H new ATOM 0 HA ALA A 17 0.533 11.763 -10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.610 14.012 -9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.927 13.189 -8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.332 13.301 -7.694 1.00 0.00 H new ATOM 235 N ALA A 18 2.677 11.421 -7.868 1.00 0.00 N ATOM 236 CA ALA A 18 4.091 11.357 -7.526 1.00 0.00 C ATOM 237 C ALA A 18 4.772 10.196 -8.239 1.00 0.00 C ATOM 238 O ALA A 18 5.999 10.155 -8.350 1.00 0.00 O ATOM 239 CB ALA A 18 4.260 11.220 -6.021 1.00 0.00 C ATOM 0 H ALA A 18 2.054 11.103 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 18 4.564 12.283 -7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.321 11.173 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.811 12.080 -5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.769 10.308 -5.681 1.00 0.00 H new ATOM 245 N CYS A 19 3.975 9.250 -8.709 1.00 0.00 N ATOM 246 CA CYS A 19 4.495 8.117 -9.460 1.00 0.00 C ATOM 247 C CYS A 19 3.857 8.057 -10.843 1.00 0.00 C ATOM 248 O CYS A 19 3.677 6.982 -11.417 1.00 0.00 O ATOM 249 CB CYS A 19 4.249 6.812 -8.695 1.00 0.00 C ATOM 250 SG CYS A 19 2.510 6.477 -8.333 1.00 0.00 S ATOM 0 H CYS A 19 2.963 9.244 -8.584 1.00 0.00 H new ATOM 0 HA CYS A 19 5.570 8.246 -9.584 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.653 5.983 -9.276 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.803 6.845 -7.757 1.00 0.00 H new ATOM 0 HG CYS A 19 2.073 7.342 -7.467 1.00 0.00 H new ATOM 256 N LYS A 20 3.506 9.224 -11.372 1.00 0.00 N ATOM 257 CA LYS A 20 2.885 9.313 -12.683 1.00 0.00 C ATOM 258 C LYS A 20 3.938 9.156 -13.773 1.00 0.00 C ATOM 259 O LYS A 20 3.662 8.641 -14.857 1.00 0.00 O ATOM 260 CB LYS A 20 2.173 10.658 -12.842 1.00 0.00 C ATOM 261 CG LYS A 20 1.182 10.683 -13.992 1.00 0.00 C ATOM 262 CD LYS A 20 0.679 12.089 -14.306 1.00 0.00 C ATOM 263 CE LYS A 20 0.106 12.793 -13.082 1.00 0.00 C ATOM 264 NZ LYS A 20 1.110 13.672 -12.424 1.00 0.00 N ATOM 0 H LYS A 20 3.643 10.123 -10.909 1.00 0.00 H new ATOM 0 HA LYS A 20 2.152 8.511 -12.776 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.650 10.895 -11.916 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.918 11.439 -12.997 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.653 10.263 -14.881 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.333 10.044 -13.749 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.499 12.682 -14.711 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.087 12.033 -15.080 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.758 13.388 -13.377 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.248 12.049 -12.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.621 14.394 -11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.720 13.100 -11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.692 14.138 -13.149 1.00 0.00 H new ATOM 278 N ALA A 21 5.145 9.609 -13.472 1.00 0.00 N ATOM 279 CA ALA A 21 6.252 9.519 -14.406 1.00 0.00 C ATOM 280 C ALA A 21 6.929 8.160 -14.300 1.00 0.00 C ATOM 281 O ALA A 21 7.325 7.737 -13.213 1.00 0.00 O ATOM 282 CB ALA A 21 7.249 10.640 -14.152 1.00 0.00 C ATOM 0 H ALA A 21 5.382 10.045 -12.581 1.00 0.00 H new ATOM 0 HA ALA A 21 5.864 9.627 -15.419 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.074 10.560 -14.860 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.754 11.603 -14.279 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.634 10.561 -13.135 1.00 0.00 H new ATOM 288 N GLU A 22 7.043 7.481 -15.434 1.00 0.00 N ATOM 289 CA GLU A 22 7.665 6.163 -15.498 1.00 0.00 C ATOM 290 C GLU A 22 9.094 6.204 -14.958 1.00 0.00 C ATOM 291 O GLU A 22 9.893 7.063 -15.345 1.00 0.00 O ATOM 292 CB GLU A 22 7.656 5.655 -16.942 1.00 0.00 C ATOM 293 CG GLU A 22 8.276 6.632 -17.930 1.00 0.00 C ATOM 294 CD GLU A 22 8.227 6.137 -19.358 1.00 0.00 C ATOM 295 OE1 GLU A 22 9.130 5.374 -19.755 1.00 0.00 O ATOM 296 OE2 GLU A 22 7.292 6.525 -20.094 1.00 0.00 O ATOM 0 H GLU A 22 6.708 7.826 -16.334 1.00 0.00 H new ATOM 0 HA GLU A 22 7.090 5.479 -14.874 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.196 4.709 -16.990 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.628 5.451 -17.241 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.755 7.587 -17.864 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.313 6.815 -17.650 1.00 0.00 H new ATOM 303 N GLY A 23 9.406 5.285 -14.059 1.00 0.00 N ATOM 304 CA GLY A 23 10.726 5.242 -13.463 1.00 0.00 C ATOM 305 C GLY A 23 10.853 6.172 -12.274 1.00 0.00 C ATOM 306 O GLY A 23 11.932 6.311 -11.692 1.00 0.00 O ATOM 0 H GLY A 23 8.765 4.563 -13.729 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.947 4.222 -13.148 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.469 5.512 -14.213 1.00 0.00 H new ATOM 310 N SER A 24 9.752 6.810 -11.910 1.00 0.00 N ATOM 311 CA SER A 24 9.730 7.723 -10.782 1.00 0.00 C ATOM 312 C SER A 24 8.639 7.306 -9.798 1.00 0.00 C ATOM 313 O SER A 24 7.638 7.998 -9.627 1.00 0.00 O ATOM 314 CB SER A 24 9.498 9.157 -11.273 1.00 0.00 C ATOM 315 OG SER A 24 9.500 10.086 -10.198 1.00 0.00 O ATOM 0 H SER A 24 8.855 6.710 -12.385 1.00 0.00 H new ATOM 0 HA SER A 24 10.691 7.686 -10.270 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.274 9.427 -11.989 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.545 9.212 -11.800 1.00 0.00 H new ATOM 0 HG SER A 24 9.351 10.990 -10.546 1.00 0.00 H new ATOM 321 N PHE A 25 8.845 6.168 -9.154 1.00 0.00 N ATOM 322 CA PHE A 25 7.868 5.630 -8.222 1.00 0.00 C ATOM 323 C PHE A 25 8.495 5.372 -6.861 1.00 0.00 C ATOM 324 O PHE A 25 9.665 4.989 -6.765 1.00 0.00 O ATOM 325 CB PHE A 25 7.261 4.329 -8.767 1.00 0.00 C ATOM 326 CG PHE A 25 8.281 3.324 -9.237 1.00 0.00 C ATOM 327 CD1 PHE A 25 8.794 3.386 -10.523 1.00 0.00 C ATOM 328 CD2 PHE A 25 8.722 2.318 -8.392 1.00 0.00 C ATOM 329 CE1 PHE A 25 9.729 2.464 -10.957 1.00 0.00 C ATOM 330 CE2 PHE A 25 9.656 1.396 -8.822 1.00 0.00 C ATOM 331 CZ PHE A 25 10.160 1.470 -10.104 1.00 0.00 C ATOM 0 H PHE A 25 9.684 5.597 -9.261 1.00 0.00 H new ATOM 0 HA PHE A 25 7.078 6.372 -8.106 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.649 3.873 -7.989 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.596 4.570 -9.596 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.460 4.163 -11.194 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.331 2.254 -7.387 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.121 2.522 -11.962 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.992 0.617 -8.154 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.892 0.750 -10.439 1.00 0.00 H new ATOM 341 N ASP A 26 7.723 5.596 -5.813 1.00 0.00 N ATOM 342 CA ASP A 26 8.151 5.259 -4.470 1.00 0.00 C ATOM 343 C ASP A 26 6.997 4.612 -3.723 1.00 0.00 C ATOM 344 O ASP A 26 6.099 5.293 -3.228 1.00 0.00 O ATOM 345 CB ASP A 26 8.644 6.494 -3.718 1.00 0.00 C ATOM 346 CG ASP A 26 9.403 6.127 -2.459 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.799 5.557 -1.530 1.00 0.00 O ATOM 348 OD2 ASP A 26 10.617 6.409 -2.394 1.00 0.00 O ATOM 0 H ASP A 26 6.793 6.012 -5.868 1.00 0.00 H new ATOM 0 HA ASP A 26 8.984 4.559 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.288 7.083 -4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.793 7.124 -3.458 1.00 0.00 H new ATOM 353 N HIS A 27 7.015 3.286 -3.678 1.00 0.00 N ATOM 354 CA HIS A 27 5.937 2.509 -3.068 1.00 0.00 C ATOM 355 C HIS A 27 5.714 2.901 -1.613 1.00 0.00 C ATOM 356 O HIS A 27 4.589 2.886 -1.112 1.00 0.00 O ATOM 357 CB HIS A 27 6.239 1.001 -3.190 1.00 0.00 C ATOM 358 CG HIS A 27 7.076 0.419 -2.086 1.00 0.00 C ATOM 359 ND1 HIS A 27 6.576 -0.457 -1.147 1.00 0.00 N ATOM 360 CD2 HIS A 27 8.387 0.579 -1.784 1.00 0.00 C ATOM 361 CE1 HIS A 27 7.540 -0.805 -0.316 1.00 0.00 C ATOM 362 NE2 HIS A 27 8.646 -0.191 -0.681 1.00 0.00 N ATOM 0 H HIS A 27 7.772 2.719 -4.060 1.00 0.00 H new ATOM 0 HA HIS A 27 5.015 2.730 -3.606 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.293 0.461 -3.229 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.746 0.825 -4.139 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.096 1.198 -2.314 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.439 -1.479 0.522 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.550 -0.275 -0.217 1.00 0.00 H new ATOM 371 N LYS A 28 6.784 3.283 -0.956 1.00 0.00 N ATOM 372 CA LYS A 28 6.743 3.569 0.456 1.00 0.00 C ATOM 373 C LYS A 28 6.159 4.948 0.694 1.00 0.00 C ATOM 374 O LYS A 28 5.328 5.135 1.584 1.00 0.00 O ATOM 375 CB LYS A 28 8.146 3.467 1.014 1.00 0.00 C ATOM 376 CG LYS A 28 8.218 3.632 2.524 1.00 0.00 C ATOM 377 CD LYS A 28 9.459 2.975 3.102 1.00 0.00 C ATOM 378 CE LYS A 28 9.513 3.133 4.613 1.00 0.00 C ATOM 379 NZ LYS A 28 10.523 2.237 5.231 1.00 0.00 N ATOM 0 H LYS A 28 7.702 3.403 -1.384 1.00 0.00 H new ATOM 0 HA LYS A 28 6.104 2.848 0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.565 2.498 0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.770 4.227 0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.218 4.693 2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.329 3.196 2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.466 1.916 2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.349 3.418 2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.747 4.168 4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.531 2.918 5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.041 1.470 5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.128 1.831 4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.109 2.781 5.896 1.00 0.00 H new ATOM 393 N ALA A 29 6.590 5.905 -0.123 1.00 0.00 N ATOM 394 CA ALA A 29 6.029 7.243 -0.100 1.00 0.00 C ATOM 395 C ALA A 29 4.530 7.173 -0.328 1.00 0.00 C ATOM 396 O ALA A 29 3.775 7.919 0.272 1.00 0.00 O ATOM 397 CB ALA A 29 6.684 8.130 -1.147 1.00 0.00 C ATOM 0 H ALA A 29 7.331 5.772 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 29 6.224 7.683 0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.244 9.126 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.754 8.198 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.525 7.703 -2.137 1.00 0.00 H new ATOM 403 N PHE A 30 4.115 6.250 -1.188 1.00 0.00 N ATOM 404 CA PHE A 30 2.700 6.012 -1.439 1.00 0.00 C ATOM 405 C PHE A 30 1.963 5.718 -0.132 1.00 0.00 C ATOM 406 O PHE A 30 0.996 6.402 0.205 1.00 0.00 O ATOM 407 CB PHE A 30 2.523 4.849 -2.427 1.00 0.00 C ATOM 408 CG PHE A 30 1.088 4.485 -2.710 1.00 0.00 C ATOM 409 CD1 PHE A 30 0.381 5.121 -3.716 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.449 3.503 -1.969 1.00 0.00 C ATOM 411 CE1 PHE A 30 -0.934 4.786 -3.978 1.00 0.00 C ATOM 412 CE2 PHE A 30 -0.867 3.164 -2.225 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.559 3.807 -3.231 1.00 0.00 C ATOM 0 H PHE A 30 4.743 5.652 -1.725 1.00 0.00 H new ATOM 0 HA PHE A 30 2.271 6.912 -1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.011 5.109 -3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.037 3.972 -2.033 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.863 5.888 -4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.986 2.996 -1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.473 5.290 -4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.352 2.398 -1.639 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.587 3.545 -3.434 1.00 0.00 H new ATOM 423 N PHE A 31 2.432 4.720 0.618 1.00 0.00 N ATOM 424 CA PHE A 31 1.741 4.321 1.844 1.00 0.00 C ATOM 425 C PHE A 31 1.804 5.412 2.905 1.00 0.00 C ATOM 426 O PHE A 31 0.803 5.707 3.545 1.00 0.00 O ATOM 427 CB PHE A 31 2.294 3.015 2.425 1.00 0.00 C ATOM 428 CG PHE A 31 2.428 1.905 1.423 1.00 0.00 C ATOM 429 CD1 PHE A 31 1.352 1.528 0.636 1.00 0.00 C ATOM 430 CD2 PHE A 31 3.629 1.230 1.276 1.00 0.00 C ATOM 431 CE1 PHE A 31 1.472 0.502 -0.281 1.00 0.00 C ATOM 432 CE2 PHE A 31 3.754 0.204 0.362 1.00 0.00 C ATOM 433 CZ PHE A 31 2.675 -0.160 -0.419 1.00 0.00 C ATOM 0 H PHE A 31 3.272 4.182 0.404 1.00 0.00 H new ATOM 0 HA PHE A 31 0.701 4.158 1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.271 3.211 2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.641 2.684 3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.408 2.042 0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.477 1.510 1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.626 0.218 -0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.696 -0.314 0.257 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.772 -0.961 -1.137 1.00 0.00 H new ATOM 443 N THR A 32 2.964 6.025 3.089 1.00 0.00 N ATOM 444 CA THR A 32 3.116 7.028 4.136 1.00 0.00 C ATOM 445 C THR A 32 2.403 8.333 3.771 1.00 0.00 C ATOM 446 O THR A 32 2.019 9.106 4.652 1.00 0.00 O ATOM 447 CB THR A 32 4.605 7.300 4.466 1.00 0.00 C ATOM 448 OG1 THR A 32 4.712 8.279 5.508 1.00 0.00 O ATOM 449 CG2 THR A 32 5.374 7.774 3.243 1.00 0.00 C ATOM 0 H THR A 32 3.803 5.850 2.537 1.00 0.00 H new ATOM 0 HA THR A 32 2.645 6.619 5.030 1.00 0.00 H new ATOM 0 HB THR A 32 5.042 6.359 4.800 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.657 8.441 5.709 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.414 7.954 3.515 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.329 7.011 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.931 8.698 2.870 1.00 0.00 H new ATOM 457 N LYS A 33 2.208 8.562 2.480 1.00 0.00 N ATOM 458 CA LYS A 33 1.523 9.757 2.007 1.00 0.00 C ATOM 459 C LYS A 33 0.026 9.638 2.254 1.00 0.00 C ATOM 460 O LYS A 33 -0.606 10.565 2.755 1.00 0.00 O ATOM 461 CB LYS A 33 1.797 9.950 0.515 1.00 0.00 C ATOM 462 CG LYS A 33 1.528 11.350 -0.008 1.00 0.00 C ATOM 463 CD LYS A 33 2.022 11.492 -1.440 1.00 0.00 C ATOM 464 CE LYS A 33 1.949 12.932 -1.924 1.00 0.00 C ATOM 465 NZ LYS A 33 2.544 13.097 -3.280 1.00 0.00 N ATOM 0 H LYS A 33 2.516 7.933 1.738 1.00 0.00 H new ATOM 0 HA LYS A 33 1.897 10.622 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.838 9.697 0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.185 9.244 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.460 11.561 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.024 12.083 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.051 11.138 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.424 10.858 -2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.908 13.255 -1.943 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.471 13.578 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.785 14.097 -3.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.405 12.518 -3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.858 12.791 -4.000 1.00 0.00 H new ATOM 479 N VAL A 34 -0.531 8.482 1.912 1.00 0.00 N ATOM 480 CA VAL A 34 -1.946 8.239 2.063 1.00 0.00 C ATOM 481 C VAL A 34 -2.293 7.784 3.480 1.00 0.00 C ATOM 482 O VAL A 34 -3.466 7.695 3.847 1.00 0.00 O ATOM 483 CB VAL A 34 -2.407 7.177 1.052 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.935 7.534 -0.347 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.925 5.789 1.443 1.00 0.00 C ATOM 0 H VAL A 34 -0.010 7.695 1.525 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.465 9.179 1.874 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.497 7.162 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.270 6.771 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.349 8.500 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.846 7.587 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.269 5.063 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.836 5.779 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.324 5.528 2.423 1.00 0.00 H new ATOM 495 N GLY A 35 -1.264 7.490 4.266 1.00 0.00 N ATOM 496 CA GLY A 35 -1.470 7.047 5.630 1.00 0.00 C ATOM 497 C GLY A 35 -1.857 5.583 5.708 1.00 0.00 C ATOM 498 O GLY A 35 -2.652 5.187 6.559 1.00 0.00 O ATOM 0 H GLY A 35 -0.287 7.551 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.558 7.210 6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.250 7.652 6.092 1.00 0.00 H new ATOM 502 N LEU A 36 -1.303 4.774 4.815 1.00 0.00 N ATOM 503 CA LEU A 36 -1.641 3.361 4.763 1.00 0.00 C ATOM 504 C LEU A 36 -0.851 2.567 5.797 1.00 0.00 C ATOM 505 O LEU A 36 -1.351 1.595 6.356 1.00 0.00 O ATOM 506 CB LEU A 36 -1.390 2.797 3.366 1.00 0.00 C ATOM 507 CG LEU A 36 -2.487 1.867 2.854 1.00 0.00 C ATOM 508 CD1 LEU A 36 -2.193 1.400 1.440 1.00 0.00 C ATOM 509 CD2 LEU A 36 -2.663 0.672 3.768 1.00 0.00 C ATOM 0 H LEU A 36 -0.620 5.072 4.119 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.702 3.266 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.279 3.626 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.444 2.255 3.371 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.417 2.436 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.991 0.739 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.131 2.263 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.245 0.862 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.451 0.028 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.729 0.112 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.936 1.014 4.766 1.00 0.00 H new ATOM 521 N ALA A 37 0.368 2.999 6.069 1.00 0.00 N ATOM 522 CA ALA A 37 1.212 2.318 7.044 1.00 0.00 C ATOM 523 C ALA A 37 0.616 2.451 8.442 1.00 0.00 C ATOM 524 O ALA A 37 0.948 1.691 9.354 1.00 0.00 O ATOM 525 CB ALA A 37 2.625 2.878 6.990 1.00 0.00 C ATOM 0 H ALA A 37 0.797 3.815 5.632 1.00 0.00 H new ATOM 0 HA ALA A 37 1.258 1.257 6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.248 2.364 7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.038 2.729 5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.603 3.944 7.218 1.00 0.00 H new ATOM 531 N ALA A 38 -0.287 3.413 8.595 1.00 0.00 N ATOM 532 CA ALA A 38 -0.971 3.632 9.858 1.00 0.00 C ATOM 533 C ALA A 38 -2.375 3.026 9.848 1.00 0.00 C ATOM 534 O ALA A 38 -3.112 3.146 10.826 1.00 0.00 O ATOM 535 CB ALA A 38 -1.040 5.121 10.165 1.00 0.00 C ATOM 0 H ALA A 38 -0.562 4.056 7.853 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.400 3.132 10.640 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.555 5.273 11.114 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.030 5.526 10.231 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.585 5.631 9.371 1.00 0.00 H new ATOM 541 N LYS A 39 -2.753 2.378 8.747 1.00 0.00 N ATOM 542 CA LYS A 39 -4.070 1.753 8.653 1.00 0.00 C ATOM 543 C LYS A 39 -4.166 0.531 9.560 1.00 0.00 C ATOM 544 O LYS A 39 -3.194 -0.207 9.744 1.00 0.00 O ATOM 545 CB LYS A 39 -4.377 1.370 7.204 1.00 0.00 C ATOM 546 CG LYS A 39 -4.664 2.573 6.321 1.00 0.00 C ATOM 547 CD LYS A 39 -6.012 3.196 6.647 1.00 0.00 C ATOM 548 CE LYS A 39 -6.201 4.523 5.932 1.00 0.00 C ATOM 549 NZ LYS A 39 -5.368 5.601 6.528 1.00 0.00 N ATOM 0 H LYS A 39 -2.172 2.273 7.915 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.812 2.478 8.988 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.532 0.818 6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.236 0.699 7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.878 3.317 6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.646 2.270 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.809 2.510 6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.093 3.347 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.945 4.407 4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.251 4.811 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.726 6.527 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.413 5.541 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.382 5.489 6.218 1.00 0.00 H new ATOM 563 N SER A 40 -5.344 0.338 10.133 1.00 0.00 N ATOM 564 CA SER A 40 -5.586 -0.751 11.063 1.00 0.00 C ATOM 565 C SER A 40 -5.807 -2.061 10.306 1.00 0.00 C ATOM 566 O SER A 40 -6.082 -2.029 9.105 1.00 0.00 O ATOM 567 CB SER A 40 -6.808 -0.411 11.919 1.00 0.00 C ATOM 568 OG SER A 40 -6.720 0.912 12.425 1.00 0.00 O ATOM 0 H SER A 40 -6.157 0.931 9.966 1.00 0.00 H new ATOM 0 HA SER A 40 -4.717 -0.880 11.708 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.715 -0.517 11.324 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.885 -1.117 12.746 1.00 0.00 H new ATOM 0 HG SER A 40 -7.512 1.108 12.968 1.00 0.00 H new ATOM 574 N PRO A 41 -5.672 -3.221 10.980 1.00 0.00 N ATOM 575 CA PRO A 41 -5.835 -4.541 10.351 1.00 0.00 C ATOM 576 C PRO A 41 -7.047 -4.633 9.422 1.00 0.00 C ATOM 577 O PRO A 41 -6.933 -5.123 8.301 1.00 0.00 O ATOM 578 CB PRO A 41 -6.006 -5.469 11.550 1.00 0.00 C ATOM 579 CG PRO A 41 -5.194 -4.832 12.620 1.00 0.00 C ATOM 580 CD PRO A 41 -5.323 -3.344 12.411 1.00 0.00 C ATOM 0 HA PRO A 41 -4.991 -4.784 9.706 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.053 -5.555 11.842 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.653 -6.476 11.328 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.555 -5.120 13.607 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.152 -5.146 12.558 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.095 -2.915 13.050 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.393 -2.825 12.643 1.00 0.00 H new ATOM 588 N ALA A 42 -8.197 -4.144 9.883 1.00 0.00 N ATOM 589 CA ALA A 42 -9.423 -4.188 9.087 1.00 0.00 C ATOM 590 C ALA A 42 -9.278 -3.384 7.797 1.00 0.00 C ATOM 591 O ALA A 42 -9.668 -3.839 6.716 1.00 0.00 O ATOM 592 CB ALA A 42 -10.600 -3.673 9.899 1.00 0.00 C ATOM 0 H ALA A 42 -8.306 -3.714 10.801 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.607 -5.227 8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.505 -3.712 9.293 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.730 -4.294 10.785 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.410 -2.643 10.202 1.00 0.00 H new ATOM 598 N ASP A 43 -8.706 -2.191 7.912 1.00 0.00 N ATOM 599 CA ASP A 43 -8.480 -1.336 6.753 1.00 0.00 C ATOM 600 C ASP A 43 -7.494 -2.001 5.811 1.00 0.00 C ATOM 601 O ASP A 43 -7.706 -2.059 4.605 1.00 0.00 O ATOM 602 CB ASP A 43 -7.931 0.027 7.174 1.00 0.00 C ATOM 603 CG ASP A 43 -8.833 0.751 8.146 1.00 0.00 C ATOM 604 OD1 ASP A 43 -9.824 1.363 7.706 1.00 0.00 O ATOM 605 OD2 ASP A 43 -8.554 0.707 9.360 1.00 0.00 O ATOM 0 H ASP A 43 -8.390 -1.794 8.797 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.436 -1.187 6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.949 -0.107 7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.790 0.646 6.288 1.00 0.00 H new ATOM 610 N ILE A 44 -6.421 -2.519 6.384 1.00 0.00 N ATOM 611 CA ILE A 44 -5.389 -3.201 5.621 1.00 0.00 C ATOM 612 C ILE A 44 -5.944 -4.455 4.934 1.00 0.00 C ATOM 613 O ILE A 44 -5.530 -4.802 3.828 1.00 0.00 O ATOM 614 CB ILE A 44 -4.179 -3.540 6.536 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.085 -2.479 6.388 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.614 -4.925 6.257 1.00 0.00 C ATOM 617 CD1 ILE A 44 -2.501 -2.404 4.995 1.00 0.00 C ATOM 0 H ILE A 44 -6.241 -2.479 7.387 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.042 -2.531 4.834 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.543 -3.541 7.564 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.496 -1.505 6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.285 -2.692 7.098 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.771 -5.115 6.921 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.387 -5.674 6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.279 -4.979 5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.733 -1.632 4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.060 -3.366 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.289 -2.161 4.283 1.00 0.00 H new ATOM 629 N LYS A 45 -6.909 -5.107 5.575 1.00 0.00 N ATOM 630 CA LYS A 45 -7.503 -6.326 5.038 1.00 0.00 C ATOM 631 C LYS A 45 -8.250 -6.050 3.735 1.00 0.00 C ATOM 632 O LYS A 45 -8.103 -6.790 2.754 1.00 0.00 O ATOM 633 CB LYS A 45 -8.440 -6.960 6.073 1.00 0.00 C ATOM 634 CG LYS A 45 -9.004 -8.312 5.652 1.00 0.00 C ATOM 635 CD LYS A 45 -7.903 -9.302 5.282 1.00 0.00 C ATOM 636 CE LYS A 45 -6.922 -9.528 6.424 1.00 0.00 C ATOM 637 NZ LYS A 45 -7.579 -10.118 7.618 1.00 0.00 N ATOM 0 H LYS A 45 -7.297 -4.810 6.470 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.698 -7.027 4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.900 -7.080 7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.267 -6.277 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.603 -8.723 6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.671 -8.177 4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.353 -10.254 4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.363 -8.933 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.122 -10.188 6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.460 -8.579 6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.859 -10.349 8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.255 -9.435 8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.084 -10.985 7.344 1.00 0.00 H new ATOM 651 N LYS A 46 -9.036 -4.977 3.706 1.00 0.00 N ATOM 652 CA LYS A 46 -9.751 -4.627 2.486 1.00 0.00 C ATOM 653 C LYS A 46 -8.754 -4.191 1.417 1.00 0.00 C ATOM 654 O LYS A 46 -8.992 -4.369 0.225 1.00 0.00 O ATOM 655 CB LYS A 46 -10.837 -3.557 2.739 1.00 0.00 C ATOM 656 CG LYS A 46 -10.332 -2.211 3.252 1.00 0.00 C ATOM 657 CD LYS A 46 -9.901 -1.269 2.129 1.00 0.00 C ATOM 658 CE LYS A 46 -11.061 -0.441 1.574 1.00 0.00 C ATOM 659 NZ LYS A 46 -12.027 -1.248 0.776 1.00 0.00 N ATOM 0 H LYS A 46 -9.191 -4.349 4.494 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.279 -5.510 2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.380 -3.390 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.552 -3.955 3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.117 -1.734 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.489 -2.377 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.126 -0.598 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.457 -1.852 1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.589 0.033 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.662 0.359 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.603 -0.615 0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.506 -1.912 0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.648 -1.781 1.418 1.00 0.00 H new ATOM 673 N VAL A 47 -7.619 -3.655 1.858 1.00 0.00 N ATOM 674 CA VAL A 47 -6.544 -3.285 0.949 1.00 0.00 C ATOM 675 C VAL A 47 -5.960 -4.532 0.284 1.00 0.00 C ATOM 676 O VAL A 47 -5.679 -4.534 -0.919 1.00 0.00 O ATOM 677 CB VAL A 47 -5.433 -2.495 1.673 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.289 -2.185 0.728 1.00 0.00 C ATOM 679 CG2 VAL A 47 -5.988 -1.207 2.259 1.00 0.00 C ATOM 0 H VAL A 47 -7.422 -3.468 2.841 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.967 -2.636 0.182 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.054 -3.115 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.518 -1.628 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.868 -3.116 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.658 -1.588 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.190 -0.664 2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.396 -0.589 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.777 -1.443 2.974 1.00 0.00 H new ATOM 689 N PHE A 48 -5.815 -5.595 1.073 1.00 0.00 N ATOM 690 CA PHE A 48 -5.387 -6.897 0.559 1.00 0.00 C ATOM 691 C PHE A 48 -6.307 -7.352 -0.567 1.00 0.00 C ATOM 692 O PHE A 48 -5.879 -7.995 -1.524 1.00 0.00 O ATOM 693 CB PHE A 48 -5.395 -7.951 1.673 1.00 0.00 C ATOM 694 CG PHE A 48 -4.312 -7.792 2.707 1.00 0.00 C ATOM 695 CD1 PHE A 48 -3.393 -6.757 2.630 1.00 0.00 C ATOM 696 CD2 PHE A 48 -4.215 -8.693 3.754 1.00 0.00 C ATOM 697 CE1 PHE A 48 -2.399 -6.627 3.579 1.00 0.00 C ATOM 698 CE2 PHE A 48 -3.224 -8.567 4.707 1.00 0.00 C ATOM 699 CZ PHE A 48 -2.314 -7.534 4.619 1.00 0.00 C ATOM 0 H PHE A 48 -5.989 -5.580 2.078 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.372 -6.788 0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.362 -7.921 2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.302 -8.938 1.220 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.455 -6.046 1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.924 -9.505 3.826 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.688 -5.817 3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.161 -9.276 5.520 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.536 -7.434 5.362 1.00 0.00 H new ATOM 709 N GLU A 49 -7.573 -7.002 -0.439 1.00 0.00 N ATOM 710 CA GLU A 49 -8.571 -7.330 -1.430 1.00 0.00 C ATOM 711 C GLU A 49 -8.541 -6.329 -2.598 1.00 0.00 C ATOM 712 O GLU A 49 -9.076 -6.599 -3.669 1.00 0.00 O ATOM 713 CB GLU A 49 -9.934 -7.367 -0.725 1.00 0.00 C ATOM 714 CG GLU A 49 -11.117 -7.042 -1.604 1.00 0.00 C ATOM 715 CD GLU A 49 -12.415 -6.992 -0.826 1.00 0.00 C ATOM 716 OE1 GLU A 49 -13.006 -8.059 -0.567 1.00 0.00 O ATOM 717 OE2 GLU A 49 -12.845 -5.883 -0.451 1.00 0.00 O ATOM 0 H GLU A 49 -7.936 -6.481 0.359 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.368 -8.306 -1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.079 -8.360 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.915 -6.663 0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.951 -6.081 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.197 -7.790 -2.393 1.00 0.00 H new ATOM 724 N ILE A 50 -7.893 -5.182 -2.402 1.00 0.00 N ATOM 725 CA ILE A 50 -7.793 -4.184 -3.468 1.00 0.00 C ATOM 726 C ILE A 50 -6.810 -4.622 -4.561 1.00 0.00 C ATOM 727 O ILE A 50 -7.088 -4.425 -5.746 1.00 0.00 O ATOM 728 CB ILE A 50 -7.386 -2.789 -2.947 1.00 0.00 C ATOM 729 CG1 ILE A 50 -8.327 -2.328 -1.841 1.00 0.00 C ATOM 730 CG2 ILE A 50 -7.409 -1.774 -4.081 1.00 0.00 C ATOM 731 CD1 ILE A 50 -7.899 -1.026 -1.202 1.00 0.00 C ATOM 0 H ILE A 50 -7.435 -4.922 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.795 -4.108 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.376 -2.863 -2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.330 -2.212 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.383 -3.101 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.120 -0.795 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.709 -2.081 -4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.414 -1.718 -4.499 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.610 -0.752 -0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.908 -1.144 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.870 -0.242 -1.958 1.00 0.00 H new ATOM 743 N ILE A 51 -5.667 -5.224 -4.179 1.00 0.00 N ATOM 744 CA ILE A 51 -4.730 -5.751 -5.195 1.00 0.00 C ATOM 745 C ILE A 51 -5.389 -6.907 -5.924 1.00 0.00 C ATOM 746 O ILE A 51 -4.999 -7.279 -7.028 1.00 0.00 O ATOM 747 CB ILE A 51 -3.337 -6.209 -4.650 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.444 -6.830 -3.250 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.354 -5.048 -4.647 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.289 -5.829 -2.119 1.00 0.00 C ATOM 0 H ILE A 51 -5.375 -5.356 -3.211 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.517 -4.914 -5.860 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.964 -6.983 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.411 -7.323 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.681 -7.602 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.391 -5.387 -4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.229 -4.674 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.736 -4.249 -4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.377 -6.344 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.311 -5.353 -2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.068 -5.070 -2.195 1.00 0.00 H new ATOM 762 N ASP A 52 -6.412 -7.452 -5.290 1.00 0.00 N ATOM 763 CA ASP A 52 -7.234 -8.481 -5.890 1.00 0.00 C ATOM 764 C ASP A 52 -8.518 -7.848 -6.413 1.00 0.00 C ATOM 765 O ASP A 52 -9.609 -8.183 -5.957 1.00 0.00 O ATOM 766 CB ASP A 52 -7.577 -9.547 -4.851 1.00 0.00 C ATOM 767 CG ASP A 52 -8.103 -10.833 -5.457 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.737 -11.189 -6.614 1.00 0.00 O ATOM 769 OD2 ASP A 52 -8.899 -11.500 -4.776 1.00 0.00 O ATOM 0 H ASP A 52 -6.694 -7.192 -4.345 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.689 -8.949 -6.710 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.687 -9.769 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.322 -9.147 -4.164 1.00 0.00 H new ATOM 774 N GLN A 53 -8.379 -6.920 -7.360 1.00 0.00 N ATOM 775 CA GLN A 53 -9.520 -6.152 -7.871 1.00 0.00 C ATOM 776 C GLN A 53 -10.641 -7.071 -8.347 1.00 0.00 C ATOM 777 O GLN A 53 -11.822 -6.762 -8.200 1.00 0.00 O ATOM 778 CB GLN A 53 -9.089 -5.239 -9.025 1.00 0.00 C ATOM 779 CG GLN A 53 -8.542 -5.995 -10.227 1.00 0.00 C ATOM 780 CD GLN A 53 -8.476 -5.153 -11.487 1.00 0.00 C ATOM 781 OE1 GLN A 53 -7.612 -5.361 -12.336 1.00 0.00 O ATOM 782 NE2 GLN A 53 -9.398 -4.215 -11.629 1.00 0.00 N ATOM 0 H GLN A 53 -7.486 -6.680 -7.791 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.892 -5.542 -7.048 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.942 -4.639 -9.341 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.328 -4.546 -8.665 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.543 -6.363 -9.992 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.168 -6.868 -10.414 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.098 -4.074 -10.901 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.409 -3.633 -12.467 1.00 0.00 H new ATOM 791 N ASP A 54 -10.247 -8.196 -8.909 1.00 0.00 N ATOM 792 CA ASP A 54 -11.192 -9.180 -9.442 1.00 0.00 C ATOM 793 C ASP A 54 -11.855 -9.999 -8.325 1.00 0.00 C ATOM 794 O ASP A 54 -12.917 -10.593 -8.519 1.00 0.00 O ATOM 795 CB ASP A 54 -10.465 -10.093 -10.435 1.00 0.00 C ATOM 796 CG ASP A 54 -11.233 -11.348 -10.772 1.00 0.00 C ATOM 797 OD1 ASP A 54 -12.130 -11.288 -11.636 1.00 0.00 O ATOM 798 OD2 ASP A 54 -10.928 -12.406 -10.182 1.00 0.00 O ATOM 0 H ASP A 54 -9.268 -8.461 -9.013 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.992 -8.648 -9.957 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.271 -9.537 -11.353 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.496 -10.370 -10.020 1.00 0.00 H new ATOM 803 N LYS A 55 -11.227 -9.993 -7.151 1.00 0.00 N ATOM 804 CA LYS A 55 -11.717 -10.710 -5.971 1.00 0.00 C ATOM 805 C LYS A 55 -11.710 -12.224 -6.192 1.00 0.00 C ATOM 806 O LYS A 55 -12.745 -12.887 -6.205 1.00 0.00 O ATOM 807 CB LYS A 55 -13.101 -10.215 -5.540 1.00 0.00 C ATOM 808 CG LYS A 55 -13.528 -10.740 -4.175 1.00 0.00 C ATOM 809 CD LYS A 55 -12.486 -10.425 -3.108 1.00 0.00 C ATOM 810 CE LYS A 55 -12.844 -11.058 -1.777 1.00 0.00 C ATOM 811 NZ LYS A 55 -14.034 -10.421 -1.158 1.00 0.00 N ATOM 0 H LYS A 55 -10.356 -9.487 -6.988 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.028 -10.494 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.100 -9.125 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.837 -10.518 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.483 -10.296 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.681 -11.818 -4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.510 -10.786 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.402 -9.345 -2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.036 -12.121 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.995 -10.977 -1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.153 -10.777 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.903 -9.390 -1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.881 -10.650 -1.717 1.00 0.00 H new ATOM 825 N SER A 56 -10.516 -12.753 -6.354 1.00 0.00 N ATOM 826 CA SER A 56 -10.313 -14.155 -6.665 1.00 0.00 C ATOM 827 C SER A 56 -9.530 -14.857 -5.556 1.00 0.00 C ATOM 828 O SER A 56 -9.221 -16.043 -5.667 1.00 0.00 O ATOM 829 CB SER A 56 -9.553 -14.243 -7.979 1.00 0.00 C ATOM 830 OG SER A 56 -9.098 -12.948 -8.373 1.00 0.00 O ATOM 0 H SER A 56 -9.651 -12.219 -6.273 1.00 0.00 H new ATOM 0 HA SER A 56 -11.279 -14.653 -6.749 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.704 -14.918 -7.872 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.197 -14.661 -8.753 1.00 0.00 H new ATOM 0 HG SER A 56 -9.479 -12.719 -9.246 1.00 0.00 H new ATOM 836 N ASP A 57 -9.195 -14.096 -4.508 1.00 0.00 N ATOM 837 CA ASP A 57 -8.386 -14.575 -3.374 1.00 0.00 C ATOM 838 C ASP A 57 -6.921 -14.704 -3.772 1.00 0.00 C ATOM 839 O ASP A 57 -6.067 -15.056 -2.960 1.00 0.00 O ATOM 840 CB ASP A 57 -8.904 -15.907 -2.815 1.00 0.00 C ATOM 841 CG ASP A 57 -10.179 -15.747 -2.016 1.00 0.00 C ATOM 842 OD1 ASP A 57 -11.273 -15.725 -2.624 1.00 0.00 O ATOM 843 OD2 ASP A 57 -10.097 -15.642 -0.774 1.00 0.00 O ATOM 0 H ASP A 57 -9.479 -13.120 -4.419 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.475 -13.831 -2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.080 -16.598 -3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.137 -16.354 -2.183 1.00 0.00 H new ATOM 848 N PHE A 58 -6.646 -14.403 -5.030 1.00 0.00 N ATOM 849 CA PHE A 58 -5.295 -14.401 -5.565 1.00 0.00 C ATOM 850 C PHE A 58 -5.142 -13.204 -6.481 1.00 0.00 C ATOM 851 O PHE A 58 -5.992 -12.979 -7.354 1.00 0.00 O ATOM 852 CB PHE A 58 -5.008 -15.689 -6.346 1.00 0.00 C ATOM 853 CG PHE A 58 -5.117 -16.947 -5.530 1.00 0.00 C ATOM 854 CD1 PHE A 58 -4.031 -17.417 -4.810 1.00 0.00 C ATOM 855 CD2 PHE A 58 -6.303 -17.663 -5.489 1.00 0.00 C ATOM 856 CE1 PHE A 58 -4.127 -18.576 -4.065 1.00 0.00 C ATOM 857 CE2 PHE A 58 -6.405 -18.820 -4.743 1.00 0.00 C ATOM 858 CZ PHE A 58 -5.315 -19.278 -4.031 1.00 0.00 C ATOM 0 H PHE A 58 -7.360 -14.151 -5.714 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.585 -14.344 -4.740 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.701 -15.753 -7.185 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.004 -15.629 -6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.099 -16.871 -4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.158 -17.311 -6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.273 -18.933 -3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.336 -19.366 -4.717 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.391 -20.184 -3.448 1.00 0.00 H new ATOM 868 N VAL A 59 -4.096 -12.417 -6.273 1.00 0.00 N ATOM 869 CA VAL A 59 -3.894 -11.218 -7.066 1.00 0.00 C ATOM 870 C VAL A 59 -2.867 -11.478 -8.170 1.00 0.00 C ATOM 871 O VAL A 59 -1.766 -11.962 -7.920 1.00 0.00 O ATOM 872 CB VAL A 59 -3.496 -9.998 -6.193 1.00 0.00 C ATOM 873 CG1 VAL A 59 -3.976 -10.166 -4.762 1.00 0.00 C ATOM 874 CG2 VAL A 59 -2.021 -9.713 -6.226 1.00 0.00 C ATOM 0 H VAL A 59 -3.380 -12.587 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.846 -10.965 -7.533 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.996 -9.134 -6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.682 -9.296 -4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.062 -10.261 -4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.529 -11.062 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.803 -8.850 -5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.475 -10.580 -5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.714 -9.503 -7.250 1.00 0.00 H new ATOM 884 N GLU A 60 -3.285 -11.252 -9.400 1.00 0.00 N ATOM 885 CA GLU A 60 -2.406 -11.373 -10.556 1.00 0.00 C ATOM 886 C GLU A 60 -1.808 -10.017 -10.929 1.00 0.00 C ATOM 887 O GLU A 60 -2.119 -9.006 -10.295 1.00 0.00 O ATOM 888 CB GLU A 60 -3.184 -11.959 -11.730 1.00 0.00 C ATOM 889 CG GLU A 60 -3.796 -13.313 -11.418 1.00 0.00 C ATOM 890 CD GLU A 60 -4.869 -13.707 -12.405 1.00 0.00 C ATOM 891 OE1 GLU A 60 -5.981 -13.148 -12.321 1.00 0.00 O ATOM 892 OE2 GLU A 60 -4.617 -14.587 -13.252 1.00 0.00 O ATOM 0 H GLU A 60 -4.241 -10.980 -9.630 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.583 -12.042 -10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.975 -11.266 -12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.519 -12.056 -12.588 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.012 -14.070 -11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.220 -13.293 -10.414 1.00 0.00 H new ATOM 899 N GLU A 61 -0.977 -9.981 -11.963 1.00 0.00 N ATOM 900 CA GLU A 61 -0.381 -8.724 -12.405 1.00 0.00 C ATOM 901 C GLU A 61 -1.435 -7.820 -13.036 1.00 0.00 C ATOM 902 O GLU A 61 -1.451 -6.610 -12.801 1.00 0.00 O ATOM 903 CB GLU A 61 0.755 -8.966 -13.398 1.00 0.00 C ATOM 904 CG GLU A 61 1.336 -7.676 -13.958 1.00 0.00 C ATOM 905 CD GLU A 61 2.532 -7.896 -14.853 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.551 -8.893 -15.607 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.453 -7.057 -14.823 1.00 0.00 O ATOM 0 H GLU A 61 -0.702 -10.798 -12.507 1.00 0.00 H new ATOM 0 HA GLU A 61 0.031 -8.230 -11.525 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.546 -9.532 -12.906 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.388 -9.580 -14.220 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.563 -7.152 -14.520 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.625 -7.027 -13.131 1.00 0.00 H new ATOM 914 N ASP A 62 -2.322 -8.414 -13.827 1.00 0.00 N ATOM 915 CA ASP A 62 -3.405 -7.663 -14.459 1.00 0.00 C ATOM 916 C ASP A 62 -4.291 -7.027 -13.404 1.00 0.00 C ATOM 917 O ASP A 62 -4.867 -5.962 -13.620 1.00 0.00 O ATOM 918 CB ASP A 62 -4.249 -8.556 -15.370 1.00 0.00 C ATOM 919 CG ASP A 62 -3.543 -8.915 -16.660 1.00 0.00 C ATOM 920 OD1 ASP A 62 -3.354 -8.020 -17.508 1.00 0.00 O ATOM 921 OD2 ASP A 62 -3.187 -10.101 -16.839 1.00 0.00 O ATOM 0 H ASP A 62 -2.314 -9.410 -14.046 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.951 -6.883 -15.071 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.507 -9.471 -14.836 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.185 -8.048 -15.603 1.00 0.00 H new ATOM 926 N GLU A 63 -4.389 -7.686 -12.256 1.00 0.00 N ATOM 927 CA GLU A 63 -5.146 -7.154 -11.137 1.00 0.00 C ATOM 928 C GLU A 63 -4.400 -6.010 -10.482 1.00 0.00 C ATOM 929 O GLU A 63 -5.012 -5.060 -10.018 1.00 0.00 O ATOM 930 CB GLU A 63 -5.437 -8.241 -10.110 1.00 0.00 C ATOM 931 CG GLU A 63 -6.505 -9.217 -10.561 1.00 0.00 C ATOM 932 CD GLU A 63 -6.820 -10.252 -9.511 1.00 0.00 C ATOM 933 OE1 GLU A 63 -5.940 -11.016 -9.125 1.00 0.00 O ATOM 934 OE2 GLU A 63 -7.961 -10.338 -9.045 1.00 0.00 O ATOM 0 H GLU A 63 -3.952 -8.590 -12.078 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.094 -6.780 -11.524 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.518 -8.789 -9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.751 -7.775 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.413 -8.668 -10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.175 -9.717 -11.472 1.00 0.00 H new ATOM 941 N LEU A 64 -3.076 -6.103 -10.453 1.00 0.00 N ATOM 942 CA LEU A 64 -2.245 -5.038 -9.908 1.00 0.00 C ATOM 943 C LEU A 64 -2.288 -3.808 -10.802 1.00 0.00 C ATOM 944 O LEU A 64 -2.093 -2.685 -10.343 1.00 0.00 O ATOM 945 CB LEU A 64 -0.798 -5.501 -9.750 1.00 0.00 C ATOM 946 CG LEU A 64 -0.326 -5.657 -8.307 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.378 -4.327 -7.574 1.00 0.00 C ATOM 948 CD2 LEU A 64 -1.160 -6.700 -7.588 1.00 0.00 C ATOM 0 H LEU A 64 -2.554 -6.907 -10.802 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.643 -4.780 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.680 -6.457 -10.261 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.147 -4.788 -10.255 1.00 0.00 H new ATOM 0 HG LEU A 64 0.711 -5.993 -8.320 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.037 -4.464 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.268 -3.608 -8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.402 -3.954 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.811 -6.800 -6.560 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.206 -6.393 -7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.063 -7.658 -8.098 1.00 0.00 H new ATOM 960 N LYS A 65 -2.538 -4.034 -12.083 1.00 0.00 N ATOM 961 CA LYS A 65 -2.616 -2.956 -13.055 1.00 0.00 C ATOM 962 C LYS A 65 -3.765 -2.012 -12.724 1.00 0.00 C ATOM 963 O LYS A 65 -3.582 -0.801 -12.633 1.00 0.00 O ATOM 964 CB LYS A 65 -2.811 -3.529 -14.462 1.00 0.00 C ATOM 965 CG LYS A 65 -1.657 -3.274 -15.415 1.00 0.00 C ATOM 966 CD LYS A 65 -0.343 -3.805 -14.869 1.00 0.00 C ATOM 967 CE LYS A 65 0.727 -3.821 -15.946 1.00 0.00 C ATOM 968 NZ LYS A 65 2.050 -4.250 -15.421 1.00 0.00 N ATOM 0 H LYS A 65 -2.691 -4.963 -12.475 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.682 -2.396 -13.018 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.969 -4.605 -14.383 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.719 -3.104 -14.890 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.868 -3.745 -16.375 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.568 -2.203 -15.598 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.015 -3.185 -14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.488 -4.813 -14.480 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.422 -4.493 -16.748 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.817 -2.825 -16.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.688 -4.458 -16.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.456 -3.489 -14.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.932 -5.104 -14.839 1.00 0.00 H new ATOM 982 N LEU A 66 -4.953 -2.573 -12.558 1.00 0.00 N ATOM 983 CA LEU A 66 -6.130 -1.771 -12.265 1.00 0.00 C ATOM 984 C LEU A 66 -6.463 -1.809 -10.782 1.00 0.00 C ATOM 985 O LEU A 66 -7.503 -1.307 -10.354 1.00 0.00 O ATOM 986 CB LEU A 66 -7.325 -2.199 -13.118 1.00 0.00 C ATOM 987 CG LEU A 66 -7.122 -2.056 -14.633 1.00 0.00 C ATOM 988 CD1 LEU A 66 -6.258 -0.841 -14.948 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.518 -3.320 -15.223 1.00 0.00 C ATOM 0 H LEU A 66 -5.127 -3.576 -12.621 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.900 -0.738 -12.526 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.558 -3.240 -12.894 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.192 -1.608 -12.825 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.099 -1.907 -15.093 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.126 -0.758 -16.027 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.744 0.059 -14.571 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.284 -0.954 -14.471 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.385 -3.192 -16.297 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.551 -3.513 -14.758 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.184 -4.162 -15.038 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.576 -2.427 -10.006 1.00 0.00 N ATOM 1002 CA PHE A 67 -5.640 -2.373 -8.549 1.00 0.00 C ATOM 1003 C PHE A 67 -5.799 -0.920 -8.104 1.00 0.00 C ATOM 1004 O PHE A 67 -6.512 -0.615 -7.151 1.00 0.00 O ATOM 1005 CB PHE A 67 -4.356 -2.988 -7.957 1.00 0.00 C ATOM 1006 CG PHE A 67 -3.789 -2.279 -6.751 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -4.365 -2.424 -5.502 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -2.667 -1.475 -6.872 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -3.838 -1.782 -4.398 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -2.135 -0.829 -5.771 1.00 0.00 C ATOM 1011 CZ PHE A 67 -2.721 -0.983 -4.533 1.00 0.00 C ATOM 0 H PHE A 67 -4.797 -2.977 -10.368 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.497 -2.944 -8.191 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.563 -4.023 -7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.593 -3.010 -8.735 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.239 -3.048 -5.388 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.202 -1.351 -7.839 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.300 -1.905 -3.430 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.261 -0.204 -5.881 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.307 -0.480 -3.671 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.138 -0.029 -8.838 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.204 1.400 -8.577 1.00 0.00 C ATOM 1023 C LEU A 68 -6.624 1.903 -8.758 1.00 0.00 C ATOM 1024 O LEU A 68 -7.144 2.635 -7.922 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.277 2.178 -9.524 1.00 0.00 C ATOM 1026 CG LEU A 68 -2.781 1.842 -9.468 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.274 1.852 -8.034 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.491 0.510 -10.146 1.00 0.00 C ATOM 0 H LEU A 68 -4.544 -0.280 -9.628 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.881 1.563 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.622 2.015 -10.545 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.393 3.241 -9.314 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.244 2.615 -10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.211 1.611 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.427 2.841 -7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.821 1.112 -7.450 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.423 0.298 -10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.045 -0.283 -9.643 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.797 0.559 -11.191 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.249 1.478 -9.848 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.609 1.886 -10.168 1.00 0.00 C ATOM 1042 C GLN A 69 -9.608 1.214 -9.235 1.00 0.00 C ATOM 1043 O GLN A 69 -10.797 1.531 -9.243 1.00 0.00 O ATOM 1044 CB GLN A 69 -8.936 1.546 -11.621 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.091 2.310 -12.627 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.452 1.981 -14.062 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -9.589 1.617 -14.365 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -7.492 2.126 -14.959 1.00 0.00 N ATOM 0 H GLN A 69 -6.831 0.845 -10.530 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.683 2.965 -10.032 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.794 0.477 -11.777 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.989 1.758 -11.807 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.215 3.380 -12.461 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.038 2.081 -12.460 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.563 2.430 -14.667 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.680 1.934 -15.943 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.116 0.276 -8.441 1.00 0.00 N ATOM 1058 CA ASN A 70 -9.938 -0.380 -7.432 1.00 0.00 C ATOM 1059 C ASN A 70 -9.737 0.319 -6.092 1.00 0.00 C ATOM 1060 O ASN A 70 -10.593 0.271 -5.206 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.570 -1.864 -7.326 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.531 -2.656 -6.456 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -11.721 -2.349 -6.375 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -10.021 -3.688 -5.804 1.00 0.00 N ATOM 0 H ASN A 70 -8.150 -0.050 -8.475 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.987 -0.313 -7.719 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.551 -2.300 -8.325 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.563 -1.954 -6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.619 -4.261 -5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.030 -3.911 -5.897 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.593 0.979 -5.967 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.267 1.754 -4.780 1.00 0.00 C ATOM 1073 C PHE A 71 -8.956 3.113 -4.865 1.00 0.00 C ATOM 1074 O PHE A 71 -9.598 3.564 -3.916 1.00 0.00 O ATOM 1075 CB PHE A 71 -6.746 1.934 -4.685 1.00 0.00 C ATOM 1076 CG PHE A 71 -6.221 2.112 -3.287 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -6.486 3.263 -2.564 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -5.454 1.120 -2.698 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -5.995 3.420 -1.281 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -4.961 1.271 -1.418 1.00 0.00 C ATOM 1081 CZ PHE A 71 -5.233 2.423 -0.707 1.00 0.00 C ATOM 0 H PHE A 71 -7.868 0.992 -6.684 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.614 1.231 -3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.262 1.066 -5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.458 2.801 -5.280 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.083 4.047 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.239 0.216 -3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.208 4.323 -0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.363 0.489 -0.973 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.850 2.543 0.296 1.00 0.00 H new ATOM 1091 N SER A 72 -8.814 3.756 -6.019 1.00 0.00 N ATOM 1092 CA SER A 72 -9.436 5.044 -6.280 1.00 0.00 C ATOM 1093 C SER A 72 -9.734 5.180 -7.775 1.00 0.00 C ATOM 1094 O SER A 72 -8.966 4.716 -8.615 1.00 0.00 O ATOM 1095 CB SER A 72 -8.523 6.174 -5.803 1.00 0.00 C ATOM 1096 OG SER A 72 -8.239 6.045 -4.420 1.00 0.00 O ATOM 0 H SER A 72 -8.263 3.397 -6.799 1.00 0.00 H new ATOM 0 HA SER A 72 -10.375 5.110 -5.731 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.593 6.161 -6.372 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.999 7.136 -5.992 1.00 0.00 H new ATOM 0 HG SER A 72 -7.937 6.908 -4.066 1.00 0.00 H new ATOM 1102 N ALA A 73 -10.851 5.825 -8.094 1.00 0.00 N ATOM 1103 CA ALA A 73 -11.387 5.828 -9.455 1.00 0.00 C ATOM 1104 C ALA A 73 -10.535 6.629 -10.439 1.00 0.00 C ATOM 1105 O ALA A 73 -10.616 6.413 -11.648 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.812 6.359 -9.452 1.00 0.00 C ATOM 0 H ALA A 73 -11.408 6.357 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.371 4.793 -9.798 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.203 6.358 -10.469 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.436 5.724 -8.823 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.820 7.377 -9.062 1.00 0.00 H new ATOM 1112 N GLY A 74 -9.726 7.548 -9.933 1.00 0.00 N ATOM 1113 CA GLY A 74 -8.922 8.379 -10.812 1.00 0.00 C ATOM 1114 C GLY A 74 -7.461 7.982 -10.812 1.00 0.00 C ATOM 1115 O GLY A 74 -6.640 8.603 -11.489 1.00 0.00 O ATOM 0 H GLY A 74 -9.610 7.734 -8.937 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.313 8.312 -11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.012 9.421 -10.504 1.00 0.00 H new ATOM 1119 N ALA A 75 -7.141 6.932 -10.067 1.00 0.00 N ATOM 1120 CA ALA A 75 -5.765 6.482 -9.922 1.00 0.00 C ATOM 1121 C ALA A 75 -5.216 5.937 -11.238 1.00 0.00 C ATOM 1122 O ALA A 75 -5.932 5.294 -12.007 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.673 5.433 -8.827 1.00 0.00 C ATOM 0 H ALA A 75 -7.821 6.374 -9.551 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.154 7.340 -9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.639 5.102 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.011 5.861 -7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.303 4.582 -9.085 1.00 0.00 H new ATOM 1129 N ARG A 76 -3.940 6.207 -11.487 1.00 0.00 N ATOM 1130 CA ARG A 76 -3.290 5.814 -12.731 1.00 0.00 C ATOM 1131 C ARG A 76 -2.843 4.360 -12.656 1.00 0.00 C ATOM 1132 O ARG A 76 -2.479 3.878 -11.589 1.00 0.00 O ATOM 1133 CB ARG A 76 -2.067 6.699 -13.000 1.00 0.00 C ATOM 1134 CG ARG A 76 -2.271 8.167 -12.659 1.00 0.00 C ATOM 1135 CD ARG A 76 -3.403 8.790 -13.461 1.00 0.00 C ATOM 1136 NE ARG A 76 -3.653 10.172 -13.052 1.00 0.00 N ATOM 1137 CZ ARG A 76 -4.554 10.972 -13.624 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -5.308 10.530 -14.625 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -4.706 12.216 -13.184 1.00 0.00 N ATOM 0 H ARG A 76 -3.330 6.702 -10.836 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.009 5.934 -13.541 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.223 6.318 -12.424 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.798 6.616 -14.053 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.485 8.265 -11.595 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.348 8.715 -12.850 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.156 8.763 -14.522 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.311 8.201 -13.329 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.103 10.548 -12.280 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.200 9.573 -14.961 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.995 11.148 -15.057 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.135 12.557 -12.411 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.394 12.830 -13.619 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.858 3.672 -13.788 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.456 2.273 -13.830 1.00 0.00 C ATOM 1155 C ALA A 77 -0.949 2.145 -13.996 1.00 0.00 C ATOM 1156 O ALA A 77 -0.359 2.739 -14.902 1.00 0.00 O ATOM 1157 CB ALA A 77 -3.166 1.544 -14.957 1.00 0.00 C ATOM 0 H ALA A 77 -3.143 4.058 -14.688 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.740 1.816 -12.882 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.851 0.501 -14.971 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.244 1.596 -14.802 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.913 2.011 -15.909 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.338 1.371 -13.116 1.00 0.00 N ATOM 1164 CA LEU A 78 1.096 1.118 -13.174 1.00 0.00 C ATOM 1165 C LEU A 78 1.411 0.107 -14.266 1.00 0.00 C ATOM 1166 O LEU A 78 0.665 -0.848 -14.469 1.00 0.00 O ATOM 1167 CB LEU A 78 1.606 0.585 -11.829 1.00 0.00 C ATOM 1168 CG LEU A 78 1.927 1.632 -10.755 1.00 0.00 C ATOM 1169 CD1 LEU A 78 0.746 2.557 -10.498 1.00 0.00 C ATOM 1170 CD2 LEU A 78 2.337 0.934 -9.469 1.00 0.00 C ATOM 0 H LEU A 78 -0.815 0.902 -12.346 1.00 0.00 H new ATOM 0 HA LEU A 78 1.596 2.061 -13.397 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.858 -0.098 -11.427 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.506 -0.001 -12.014 1.00 0.00 H new ATOM 0 HG LEU A 78 2.751 2.247 -11.118 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.013 3.284 -9.731 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.486 3.080 -11.419 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.108 1.971 -10.160 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.565 1.679 -8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.521 0.299 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.220 0.322 -9.653 1.00 0.00 H new ATOM 1182 N SER A 79 2.507 0.319 -14.974 1.00 0.00 N ATOM 1183 CA SER A 79 2.947 -0.620 -15.995 1.00 0.00 C ATOM 1184 C SER A 79 4.464 -0.717 -16.010 1.00 0.00 C ATOM 1185 O SER A 79 5.137 0.077 -15.367 1.00 0.00 O ATOM 1186 CB SER A 79 2.418 -0.198 -17.368 1.00 0.00 C ATOM 1187 OG SER A 79 1.000 -0.166 -17.374 1.00 0.00 O ATOM 0 H SER A 79 3.110 1.134 -14.861 1.00 0.00 H new ATOM 0 HA SER A 79 2.545 -1.605 -15.759 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.809 0.786 -17.627 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.774 -0.893 -18.129 1.00 0.00 H new ATOM 0 HG SER A 79 0.683 0.108 -18.260 1.00 0.00 H new ATOM 1193 N ASP A 80 4.985 -1.713 -16.718 1.00 0.00 N ATOM 1194 CA ASP A 80 6.427 -1.917 -16.841 1.00 0.00 C ATOM 1195 C ASP A 80 7.074 -2.143 -15.482 1.00 0.00 C ATOM 1196 O ASP A 80 6.594 -2.945 -14.674 1.00 0.00 O ATOM 1197 CB ASP A 80 7.100 -0.731 -17.549 1.00 0.00 C ATOM 1198 CG ASP A 80 6.603 -0.525 -18.961 1.00 0.00 C ATOM 1199 OD1 ASP A 80 6.965 -1.330 -19.848 1.00 0.00 O ATOM 1200 OD2 ASP A 80 5.852 0.445 -19.195 1.00 0.00 O ATOM 0 H ASP A 80 4.424 -2.400 -17.222 1.00 0.00 H new ATOM 0 HA ASP A 80 6.572 -2.812 -17.446 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.924 0.177 -16.972 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.178 -0.892 -17.569 1.00 0.00 H new ATOM 1205 N ALA A 81 8.148 -1.412 -15.227 1.00 0.00 N ATOM 1206 CA ALA A 81 8.981 -1.661 -14.071 1.00 0.00 C ATOM 1207 C ALA A 81 8.270 -1.328 -12.768 1.00 0.00 C ATOM 1208 O ALA A 81 8.481 -1.996 -11.759 1.00 0.00 O ATOM 1209 CB ALA A 81 10.280 -0.878 -14.182 1.00 0.00 C ATOM 0 H ALA A 81 8.461 -0.637 -15.812 1.00 0.00 H new ATOM 0 HA ALA A 81 9.204 -2.728 -14.053 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.899 -1.074 -13.306 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.815 -1.186 -15.080 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.059 0.188 -14.239 1.00 0.00 H new ATOM 1215 N GLU A 82 7.406 -0.317 -12.787 1.00 0.00 N ATOM 1216 CA GLU A 82 6.748 0.124 -11.564 1.00 0.00 C ATOM 1217 C GLU A 82 5.790 -0.931 -11.047 1.00 0.00 C ATOM 1218 O GLU A 82 5.537 -0.989 -9.856 1.00 0.00 O ATOM 1219 CB GLU A 82 6.034 1.481 -11.722 1.00 0.00 C ATOM 1220 CG GLU A 82 5.747 1.911 -13.154 1.00 0.00 C ATOM 1221 CD GLU A 82 6.984 2.392 -13.895 1.00 0.00 C ATOM 1222 OE1 GLU A 82 7.465 3.503 -13.599 1.00 0.00 O ATOM 1223 OE2 GLU A 82 7.472 1.658 -14.782 1.00 0.00 O ATOM 0 H GLU A 82 7.148 0.205 -13.624 1.00 0.00 H new ATOM 0 HA GLU A 82 7.538 0.269 -10.827 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.090 1.440 -11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.643 2.249 -11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.309 1.073 -13.697 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.004 2.708 -13.145 1.00 0.00 H new ATOM 1230 N THR A 83 5.284 -1.785 -11.922 1.00 0.00 N ATOM 1231 CA THR A 83 4.460 -2.889 -11.467 1.00 0.00 C ATOM 1232 C THR A 83 5.348 -3.993 -10.914 1.00 0.00 C ATOM 1233 O THR A 83 5.102 -4.513 -9.835 1.00 0.00 O ATOM 1234 CB THR A 83 3.585 -3.476 -12.587 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.148 -2.435 -13.467 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.372 -4.181 -12.002 1.00 0.00 C ATOM 0 H THR A 83 5.426 -1.737 -12.931 1.00 0.00 H new ATOM 0 HA THR A 83 3.798 -2.495 -10.696 1.00 0.00 H new ATOM 0 HB THR A 83 4.182 -4.197 -13.144 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.188 -2.282 -13.341 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.764 -4.590 -12.809 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.701 -4.990 -11.350 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.780 -3.469 -11.427 1.00 0.00 H new ATOM 1244 N LYS A 84 6.406 -4.312 -11.651 1.00 0.00 N ATOM 1245 CA LYS A 84 7.299 -5.407 -11.293 1.00 0.00 C ATOM 1246 C LYS A 84 8.016 -5.131 -9.971 1.00 0.00 C ATOM 1247 O LYS A 84 8.084 -5.998 -9.098 1.00 0.00 O ATOM 1248 CB LYS A 84 8.317 -5.632 -12.411 1.00 0.00 C ATOM 1249 CG LYS A 84 9.159 -6.883 -12.235 1.00 0.00 C ATOM 1250 CD LYS A 84 10.089 -7.090 -13.419 1.00 0.00 C ATOM 1251 CE LYS A 84 10.850 -8.401 -13.315 1.00 0.00 C ATOM 1252 NZ LYS A 84 11.765 -8.428 -12.143 1.00 0.00 N ATOM 0 H LYS A 84 6.667 -3.823 -12.507 1.00 0.00 H new ATOM 0 HA LYS A 84 6.699 -6.308 -11.164 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.789 -5.692 -13.363 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.977 -4.767 -12.467 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.744 -6.805 -11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.508 -7.750 -12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.510 -7.078 -14.343 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.796 -6.262 -13.475 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.141 -9.226 -13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.426 -8.558 -14.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.336 -9.297 -12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.393 -7.599 -12.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.206 -8.407 -11.266 1.00 0.00 H new ATOM 1266 N VAL A 85 8.542 -3.923 -9.822 1.00 0.00 N ATOM 1267 CA VAL A 85 9.246 -3.548 -8.603 1.00 0.00 C ATOM 1268 C VAL A 85 8.263 -3.404 -7.446 1.00 0.00 C ATOM 1269 O VAL A 85 8.563 -3.781 -6.313 1.00 0.00 O ATOM 1270 CB VAL A 85 10.039 -2.234 -8.780 1.00 0.00 C ATOM 1271 CG1 VAL A 85 10.790 -1.877 -7.506 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.003 -2.347 -9.951 1.00 0.00 C ATOM 0 H VAL A 85 8.495 -3.188 -10.527 1.00 0.00 H new ATOM 0 HA VAL A 85 9.957 -4.343 -8.380 1.00 0.00 H new ATOM 0 HB VAL A 85 9.328 -1.435 -8.991 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.340 -0.948 -7.656 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.080 -1.750 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.488 -2.677 -7.259 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.553 -1.412 -10.061 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.704 -3.161 -9.768 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.444 -2.548 -10.865 1.00 0.00 H new ATOM 1282 N PHE A 86 7.084 -2.868 -7.742 1.00 0.00 N ATOM 1283 CA PHE A 86 6.035 -2.743 -6.743 1.00 0.00 C ATOM 1284 C PHE A 86 5.582 -4.126 -6.266 1.00 0.00 C ATOM 1285 O PHE A 86 5.286 -4.316 -5.089 1.00 0.00 O ATOM 1286 CB PHE A 86 4.864 -1.944 -7.321 1.00 0.00 C ATOM 1287 CG PHE A 86 3.757 -1.668 -6.343 1.00 0.00 C ATOM 1288 CD1 PHE A 86 3.869 -0.629 -5.434 1.00 0.00 C ATOM 1289 CD2 PHE A 86 2.606 -2.438 -6.336 1.00 0.00 C ATOM 1290 CE1 PHE A 86 2.855 -0.364 -4.534 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.588 -2.176 -5.438 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.713 -1.138 -4.536 1.00 0.00 C ATOM 0 H PHE A 86 6.833 -2.514 -8.665 1.00 0.00 H new ATOM 0 HA PHE A 86 6.425 -2.206 -5.878 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.241 -0.995 -7.702 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.453 -2.488 -8.171 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.760 -0.019 -5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.503 -3.251 -7.039 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.956 0.448 -3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.695 -2.783 -5.442 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.919 -0.933 -3.834 1.00 0.00 H new ATOM 1302 N LEU A 87 5.546 -5.093 -7.182 1.00 0.00 N ATOM 1303 CA LEU A 87 5.253 -6.477 -6.824 1.00 0.00 C ATOM 1304 C LEU A 87 6.351 -7.025 -5.920 1.00 0.00 C ATOM 1305 O LEU A 87 6.078 -7.543 -4.840 1.00 0.00 O ATOM 1306 CB LEU A 87 5.126 -7.359 -8.073 1.00 0.00 C ATOM 1307 CG LEU A 87 3.933 -7.056 -8.987 1.00 0.00 C ATOM 1308 CD1 LEU A 87 4.018 -7.880 -10.260 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.616 -7.324 -8.275 1.00 0.00 C ATOM 0 H LEU A 87 5.716 -4.942 -8.176 1.00 0.00 H new ATOM 0 HA LEU A 87 4.301 -6.493 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.041 -7.262 -8.658 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.060 -8.399 -7.755 1.00 0.00 H new ATOM 0 HG LEU A 87 3.970 -5.998 -9.248 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.164 -7.653 -10.898 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.940 -7.639 -10.789 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.011 -8.940 -10.008 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.787 -7.101 -8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.570 -8.372 -7.978 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.546 -6.692 -7.390 1.00 0.00 H new ATOM 1321 N LYS A 88 7.596 -6.868 -6.360 1.00 0.00 N ATOM 1322 CA LYS A 88 8.758 -7.358 -5.620 1.00 0.00 C ATOM 1323 C LYS A 88 8.899 -6.695 -4.253 1.00 0.00 C ATOM 1324 O LYS A 88 9.635 -7.185 -3.395 1.00 0.00 O ATOM 1325 CB LYS A 88 10.036 -7.143 -6.433 1.00 0.00 C ATOM 1326 CG LYS A 88 10.368 -8.290 -7.369 1.00 0.00 C ATOM 1327 CD LYS A 88 10.880 -9.488 -6.590 1.00 0.00 C ATOM 1328 CE LYS A 88 11.331 -10.612 -7.509 1.00 0.00 C ATOM 1329 NZ LYS A 88 11.958 -11.726 -6.753 1.00 0.00 N ATOM 0 H LYS A 88 7.829 -6.400 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 88 8.602 -8.424 -5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.934 -6.228 -7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.870 -6.993 -5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.481 -8.571 -7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.120 -7.971 -8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.713 -9.181 -5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.095 -9.853 -5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.475 -10.989 -8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.042 -10.222 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.252 -12.472 -7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.790 -11.372 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.272 -12.115 -6.075 1.00 0.00 H new ATOM 1343 N ALA A 89 8.222 -5.571 -4.059 1.00 0.00 N ATOM 1344 CA ALA A 89 8.239 -4.885 -2.775 1.00 0.00 C ATOM 1345 C ALA A 89 7.640 -5.766 -1.684 1.00 0.00 C ATOM 1346 O ALA A 89 8.045 -5.694 -0.522 1.00 0.00 O ATOM 1347 CB ALA A 89 7.484 -3.567 -2.864 1.00 0.00 C ATOM 0 H ALA A 89 7.655 -5.116 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 89 9.277 -4.675 -2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.507 -3.068 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.954 -2.928 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.449 -3.759 -3.149 1.00 0.00 H new ATOM 1353 N GLY A 90 6.682 -6.602 -2.068 1.00 0.00 N ATOM 1354 CA GLY A 90 6.027 -7.470 -1.112 1.00 0.00 C ATOM 1355 C GLY A 90 6.162 -8.935 -1.472 1.00 0.00 C ATOM 1356 O GLY A 90 6.433 -9.768 -0.605 1.00 0.00 O ATOM 0 H GLY A 90 6.348 -6.693 -3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.452 -7.302 -0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.970 -7.209 -1.054 1.00 0.00 H new ATOM 1360 N ASP A 91 5.979 -9.247 -2.751 1.00 0.00 N ATOM 1361 CA ASP A 91 6.083 -10.620 -3.230 1.00 0.00 C ATOM 1362 C ASP A 91 7.518 -11.118 -3.108 1.00 0.00 C ATOM 1363 O ASP A 91 8.418 -10.632 -3.795 1.00 0.00 O ATOM 1364 CB ASP A 91 5.638 -10.735 -4.676 1.00 0.00 C ATOM 1365 CG ASP A 91 5.651 -12.173 -5.132 1.00 0.00 C ATOM 1366 OD1 ASP A 91 5.202 -13.054 -4.357 1.00 0.00 O ATOM 1367 OD2 ASP A 91 6.109 -12.437 -6.254 1.00 0.00 O ATOM 0 H ASP A 91 5.757 -8.565 -3.476 1.00 0.00 H new ATOM 0 HA ASP A 91 5.427 -11.233 -2.611 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.634 -10.324 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.296 -10.142 -5.311 1.00 0.00 H new ATOM 1372 N SER A 92 7.724 -12.081 -2.233 1.00 0.00 N ATOM 1373 CA SER A 92 9.054 -12.586 -1.949 1.00 0.00 C ATOM 1374 C SER A 92 9.308 -13.863 -2.740 1.00 0.00 C ATOM 1375 O SER A 92 10.423 -14.386 -2.766 1.00 0.00 O ATOM 1376 CB SER A 92 9.193 -12.851 -0.447 1.00 0.00 C ATOM 1377 OG SER A 92 10.549 -13.027 -0.070 1.00 0.00 O ATOM 0 H SER A 92 6.981 -12.534 -1.701 1.00 0.00 H new ATOM 0 HA SER A 92 9.793 -11.842 -2.247 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.765 -12.018 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.622 -13.740 -0.180 1.00 0.00 H new ATOM 0 HG SER A 92 11.026 -13.507 -0.779 1.00 0.00 H new ATOM 1383 N ASP A 93 8.262 -14.356 -3.389 1.00 0.00 N ATOM 1384 CA ASP A 93 8.336 -15.641 -4.084 1.00 0.00 C ATOM 1385 C ASP A 93 8.670 -15.462 -5.556 1.00 0.00 C ATOM 1386 O ASP A 93 9.128 -16.395 -6.219 1.00 0.00 O ATOM 1387 CB ASP A 93 7.015 -16.400 -3.981 1.00 0.00 C ATOM 1388 CG ASP A 93 6.307 -16.182 -2.667 1.00 0.00 C ATOM 1389 OD1 ASP A 93 6.652 -16.862 -1.676 1.00 0.00 O ATOM 1390 OD2 ASP A 93 5.400 -15.318 -2.624 1.00 0.00 O ATOM 0 H ASP A 93 7.356 -13.892 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 93 9.129 -16.210 -3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.360 -16.090 -4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.204 -17.465 -4.112 1.00 0.00 H new ATOM 1395 N GLY A 94 8.414 -14.268 -6.071 1.00 0.00 N ATOM 1396 CA GLY A 94 8.635 -14.006 -7.476 1.00 0.00 C ATOM 1397 C GLY A 94 7.511 -14.560 -8.324 1.00 0.00 C ATOM 1398 O GLY A 94 7.732 -15.030 -9.439 1.00 0.00 O ATOM 0 H GLY A 94 8.056 -13.475 -5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.720 -12.932 -7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.580 -14.451 -7.786 1.00 0.00 H new ATOM 1402 N ASP A 95 6.299 -14.485 -7.793 1.00 0.00 N ATOM 1403 CA ASP A 95 5.127 -15.048 -8.450 1.00 0.00 C ATOM 1404 C ASP A 95 4.645 -14.117 -9.549 1.00 0.00 C ATOM 1405 O ASP A 95 3.920 -14.526 -10.456 1.00 0.00 O ATOM 1406 CB ASP A 95 3.963 -15.245 -7.466 1.00 0.00 C ATOM 1407 CG ASP A 95 4.347 -15.893 -6.151 1.00 0.00 C ATOM 1408 OD1 ASP A 95 4.739 -17.076 -6.152 1.00 0.00 O ATOM 1409 OD2 ASP A 95 4.215 -15.229 -5.090 1.00 0.00 O ATOM 0 H ASP A 95 6.100 -14.035 -6.900 1.00 0.00 H new ATOM 0 HA ASP A 95 5.426 -16.014 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.512 -14.274 -7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.199 -15.856 -7.947 1.00 0.00 H new ATOM 1414 N GLY A 96 5.045 -12.855 -9.452 1.00 0.00 N ATOM 1415 CA GLY A 96 4.508 -11.840 -10.337 1.00 0.00 C ATOM 1416 C GLY A 96 3.167 -11.365 -9.830 1.00 0.00 C ATOM 1417 O GLY A 96 2.299 -10.952 -10.599 1.00 0.00 O ATOM 0 H GLY A 96 5.731 -12.517 -8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.199 -11.000 -10.401 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.402 -12.244 -11.344 1.00 0.00 H new ATOM 1421 N LYS A 97 3.012 -11.441 -8.517 1.00 0.00 N ATOM 1422 CA LYS A 97 1.740 -11.201 -7.861 1.00 0.00 C ATOM 1423 C LYS A 97 1.976 -10.486 -6.547 1.00 0.00 C ATOM 1424 O LYS A 97 3.118 -10.281 -6.149 1.00 0.00 O ATOM 1425 CB LYS A 97 1.058 -12.549 -7.593 1.00 0.00 C ATOM 1426 CG LYS A 97 1.296 -13.120 -6.190 1.00 0.00 C ATOM 1427 CD LYS A 97 0.905 -14.591 -6.120 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.518 -14.825 -6.611 1.00 0.00 C ATOM 1429 NZ LYS A 97 -0.854 -16.273 -6.675 1.00 0.00 N ATOM 0 H LYS A 97 3.770 -11.672 -7.875 1.00 0.00 H new ATOM 0 HA LYS A 97 1.106 -10.584 -8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.015 -12.435 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.410 -13.272 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.346 -13.007 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.718 -12.552 -5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.598 -15.180 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.997 -14.942 -5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.219 -14.319 -5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.638 -14.381 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.831 -16.388 -7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.202 -16.752 -7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.764 -16.692 -5.728 1.00 0.00 H new ATOM 1443 N ILE A 98 0.908 -10.098 -5.885 1.00 0.00 N ATOM 1444 CA ILE A 98 1.014 -9.648 -4.519 1.00 0.00 C ATOM 1445 C ILE A 98 0.270 -10.602 -3.607 1.00 0.00 C ATOM 1446 O ILE A 98 -0.961 -10.634 -3.599 1.00 0.00 O ATOM 1447 CB ILE A 98 0.455 -8.224 -4.330 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.357 -7.193 -5.002 1.00 0.00 C ATOM 1449 CG2 ILE A 98 0.296 -7.902 -2.859 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.768 -7.185 -4.461 1.00 0.00 C ATOM 0 H ILE A 98 -0.037 -10.086 -6.269 1.00 0.00 H new ATOM 0 HA ILE A 98 2.074 -9.628 -4.265 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.527 -8.183 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.388 -7.392 -6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.921 -6.202 -4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.100 -6.892 -2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.392 -8.614 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.266 -7.968 -2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.354 -6.429 -4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.748 -6.956 -3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.222 -8.164 -4.613 1.00 0.00 H new ATOM 1462 N GLY A 99 1.002 -11.419 -2.873 1.00 0.00 N ATOM 1463 CA GLY A 99 0.371 -12.149 -1.810 1.00 0.00 C ATOM 1464 C GLY A 99 -0.247 -11.160 -0.855 1.00 0.00 C ATOM 1465 O GLY A 99 0.365 -10.135 -0.564 1.00 0.00 O ATOM 0 H GLY A 99 2.001 -11.586 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.392 -12.818 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.101 -12.771 -1.292 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.451 -11.423 -0.394 1.00 0.00 N ATOM 1470 CA VAL A 100 -2.166 -10.470 0.409 1.00 0.00 C ATOM 1471 C VAL A 100 -1.353 -10.040 1.626 1.00 0.00 C ATOM 1472 O VAL A 100 -1.192 -8.849 1.898 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.525 -11.044 0.828 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -4.497 -10.971 -0.345 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -3.402 -12.479 1.330 1.00 0.00 C ATOM 0 H VAL A 100 -1.952 -12.295 -0.566 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.336 -9.579 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.906 -10.443 1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.462 -11.380 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.622 -9.932 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.103 -11.549 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.386 -12.850 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.994 -13.108 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.738 -12.507 2.194 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.784 -11.007 2.313 1.00 0.00 N ATOM 1486 CA ASP A 101 0.010 -10.728 3.490 1.00 0.00 C ATOM 1487 C ASP A 101 1.403 -10.246 3.087 1.00 0.00 C ATOM 1488 O ASP A 101 2.115 -9.633 3.887 1.00 0.00 O ATOM 1489 CB ASP A 101 0.074 -11.970 4.375 1.00 0.00 C ATOM 1490 CG ASP A 101 0.933 -13.078 3.799 1.00 0.00 C ATOM 1491 OD1 ASP A 101 0.795 -13.383 2.598 1.00 0.00 O ATOM 1492 OD2 ASP A 101 1.749 -13.651 4.550 1.00 0.00 O ATOM 0 H ASP A 101 -0.857 -11.996 2.076 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.458 -9.929 4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.464 -11.690 5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.936 -12.348 4.531 1.00 0.00 H new ATOM 1497 N GLU A 102 1.771 -10.505 1.831 1.00 0.00 N ATOM 1498 CA GLU A 102 3.003 -9.965 1.264 1.00 0.00 C ATOM 1499 C GLU A 102 2.864 -8.453 1.098 1.00 0.00 C ATOM 1500 O GLU A 102 3.816 -7.698 1.300 1.00 0.00 O ATOM 1501 CB GLU A 102 3.335 -10.615 -0.095 1.00 0.00 C ATOM 1502 CG GLU A 102 3.478 -12.132 -0.036 1.00 0.00 C ATOM 1503 CD GLU A 102 4.217 -12.718 -1.233 1.00 0.00 C ATOM 1504 OE1 GLU A 102 3.582 -13.021 -2.278 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.442 -12.903 -1.134 1.00 0.00 O ATOM 0 H GLU A 102 1.232 -11.086 1.189 1.00 0.00 H new ATOM 0 HA GLU A 102 3.821 -10.191 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.552 -10.361 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.263 -10.187 -0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.007 -12.404 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.487 -12.581 0.025 1.00 0.00 H new ATOM 1512 N PHE A 103 1.657 -8.017 0.743 1.00 0.00 N ATOM 1513 CA PHE A 103 1.367 -6.599 0.583 1.00 0.00 C ATOM 1514 C PHE A 103 1.499 -5.886 1.917 1.00 0.00 C ATOM 1515 O PHE A 103 2.158 -4.852 2.015 1.00 0.00 O ATOM 1516 CB PHE A 103 -0.043 -6.392 0.028 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.268 -5.023 -0.550 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.356 -4.649 -1.730 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -1.103 -4.114 0.075 1.00 0.00 C ATOM 1520 CE1 PHE A 103 0.153 -3.398 -2.274 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.308 -2.859 -0.467 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.680 -2.501 -1.642 1.00 0.00 C ATOM 0 H PHE A 103 0.863 -8.631 0.561 1.00 0.00 H new ATOM 0 HA PHE A 103 2.085 -6.182 -0.123 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.234 -7.138 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.767 -6.564 0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.010 -5.347 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.599 -4.387 0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.646 -3.122 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.961 -2.157 0.030 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.841 -1.520 -2.065 1.00 0.00 H new ATOM 1532 N GLY A 104 0.876 -6.456 2.944 1.00 0.00 N ATOM 1533 CA GLY A 104 0.965 -5.886 4.276 1.00 0.00 C ATOM 1534 C GLY A 104 2.402 -5.725 4.733 1.00 0.00 C ATOM 1535 O GLY A 104 2.749 -4.746 5.400 1.00 0.00 O ATOM 0 H GLY A 104 0.311 -7.303 2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.470 -4.915 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.431 -6.525 4.980 1.00 0.00 H new ATOM 1539 N ALA A 105 3.243 -6.680 4.359 1.00 0.00 N ATOM 1540 CA ALA A 105 4.653 -6.640 4.714 1.00 0.00 C ATOM 1541 C ALA A 105 5.373 -5.483 4.022 1.00 0.00 C ATOM 1542 O ALA A 105 6.241 -4.851 4.620 1.00 0.00 O ATOM 1543 CB ALA A 105 5.321 -7.963 4.372 1.00 0.00 C ATOM 0 H ALA A 105 2.971 -7.494 3.808 1.00 0.00 H new ATOM 0 HA ALA A 105 4.722 -6.476 5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.376 -7.919 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.838 -8.768 4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.229 -8.151 3.302 1.00 0.00 H new ATOM 1549 N MET A 106 4.999 -5.192 2.776 1.00 0.00 N ATOM 1550 CA MET A 106 5.662 -4.127 2.022 1.00 0.00 C ATOM 1551 C MET A 106 5.229 -2.756 2.531 1.00 0.00 C ATOM 1552 O MET A 106 5.949 -1.773 2.374 1.00 0.00 O ATOM 1553 CB MET A 106 5.371 -4.222 0.514 1.00 0.00 C ATOM 1554 CG MET A 106 4.123 -3.467 0.075 1.00 0.00 C ATOM 1555 SD MET A 106 4.087 -3.109 -1.693 1.00 0.00 S ATOM 1556 CE MET A 106 3.780 -4.734 -2.375 1.00 0.00 C ATOM 0 H MET A 106 4.252 -5.670 2.273 1.00 0.00 H new ATOM 0 HA MET A 106 6.734 -4.254 2.174 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.229 -3.836 -0.036 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.263 -5.272 0.241 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.242 -4.053 0.338 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.060 -2.530 0.629 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.674 -5.087 -2.889 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.527 -5.425 -1.570 1.00 0.00 H new ATOM 0 HE3 MET A 106 2.952 -4.682 -3.081 1.00 0.00 H new ATOM 1566 N ILE A 107 4.049 -2.695 3.136 1.00 0.00 N ATOM 1567 CA ILE A 107 3.507 -1.437 3.633 1.00 0.00 C ATOM 1568 C ILE A 107 4.163 -1.081 4.952 1.00 0.00 C ATOM 1569 O ILE A 107 4.366 0.088 5.277 1.00 0.00 O ATOM 1570 CB ILE A 107 1.975 -1.524 3.819 1.00 0.00 C ATOM 1571 CG1 ILE A 107 1.318 -1.897 2.492 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.415 -0.208 4.343 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.178 -2.050 2.579 1.00 0.00 C ATOM 0 H ILE A 107 3.448 -3.504 3.294 1.00 0.00 H new ATOM 0 HA ILE A 107 3.718 -0.661 2.897 1.00 0.00 H new ATOM 0 HB ILE A 107 1.754 -2.296 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.554 -1.132 1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.750 -2.831 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.335 -0.295 4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.872 0.024 5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.637 0.590 3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.574 -2.315 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.422 -2.836 3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.621 -1.110 2.907 1.00 0.00 H new ATOM 1585 N LYS A 108 4.511 -2.111 5.690 1.00 0.00 N ATOM 1586 CA LYS A 108 5.150 -1.952 6.980 1.00 0.00 C ATOM 1587 C LYS A 108 6.674 -1.884 6.826 1.00 0.00 C ATOM 1588 O LYS A 108 7.386 -1.485 7.748 1.00 0.00 O ATOM 1589 CB LYS A 108 4.697 -3.106 7.888 1.00 0.00 C ATOM 1590 CG LYS A 108 5.406 -3.199 9.234 1.00 0.00 C ATOM 1591 CD LYS A 108 6.580 -4.171 9.195 1.00 0.00 C ATOM 1592 CE LYS A 108 6.118 -5.607 8.997 1.00 0.00 C ATOM 1593 NZ LYS A 108 7.256 -6.564 8.999 1.00 0.00 N ATOM 0 H LYS A 108 4.360 -3.082 5.415 1.00 0.00 H new ATOM 0 HA LYS A 108 4.852 -1.010 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.627 -3.006 8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.844 -4.045 7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.763 -2.211 9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.696 -3.519 9.997 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.256 -3.892 8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.145 -4.096 10.124 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.418 -5.875 9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.578 -5.687 8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.897 -7.530 8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.912 -6.325 8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.756 -6.507 9.909 1.00 0.00 H new ATOM 1607 N ALA A 109 7.161 -2.234 5.639 1.00 0.00 N ATOM 1608 CA ALA A 109 8.594 -2.240 5.365 1.00 0.00 C ATOM 1609 C ALA A 109 9.125 -0.825 5.141 1.00 0.00 C ATOM 1610 O ALA A 109 9.198 -0.389 3.973 1.00 0.00 O ATOM 1611 CB ALA A 109 8.901 -3.115 4.157 1.00 0.00 C ATOM 1612 OXT ALA A 109 9.479 -0.155 6.132 1.00 0.00 O ATOM 0 H ALA A 109 6.582 -2.518 4.849 1.00 0.00 H new ATOM 0 HA ALA A 109 9.097 -2.653 6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.974 -3.108 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.574 -4.136 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.375 -2.728 3.284 1.00 0.00 H new