USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 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 59 SER OG : rot 5:sc= 0.2 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -172:sc= 0.202 (180deg=-0.00342) USER MOD Set 2.1: A 57 TYR OH : rot -135:sc= 1.22 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 180:sc= 1.33 (180deg=0.0934) USER MOD Set 3.1: A 48 LYS NZ :NH3+ -173:sc= 1.21 (180deg=-0.0394) USER MOD Set 3.2: A 50 SER OG : rot -14:sc= 1.93 USER MOD Set 4.1: A 19 ASN : amide:sc= 0.11 K(o=-0.55,f=-1.8) USER MOD Set 4.2: A 49 THR OG1 : rot 71:sc= -0.662 USER MOD Set 5.1: A 11 LYS NZ :NH3+ -145:sc= 1.28 (180deg=0) USER MOD Set 5.2: A 56 TYR OH : rot 150:sc= 1.1 USER MOD Single : A 0 SER OG : rot 118:sc= -0.367 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ -126:sc= 0.0719 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0064) USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= -0.0346 (180deg=-0.208) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.553 K(o=-0.55,f=-1.8!) USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0387) USER MOD Single : A 36 LYS NZ :NH3+ -130:sc= 1.15 (180deg=0.287!) USER MOD Single : A 37 TYR OH : rot 30:sc= 0.719 USER MOD Single : A 41 THR OG1 : rot 120:sc= -0.233 USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= 0.206 (180deg=-0.801!) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= -0.0159 (180deg=-0.137) USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= 2.24 (180deg=1.8) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -161:sc= -0.362 (180deg=-1.26) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 156:sc= -1.03 (180deg=-2.93!) USER MOD Single : A 85 LYS NZ :NH3+ -138:sc= 1.27 (180deg=0.874) USER MOD Single : A 88 LYS NZ :NH3+ -149:sc= 1.03 (180deg=-0.206) USER MOD Single : A 96 TYR OH : rot 8:sc= -3! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 7.831 7.508 5.943 1.00 0.00 N ATOM 2 CA GLY A -1 8.250 6.866 4.677 1.00 0.00 C ATOM 3 C GLY A -1 8.703 5.437 4.887 1.00 0.00 C ATOM 4 O GLY A -1 8.418 4.837 5.924 1.00 0.00 O ATOM 0 H1 GLY A -1 6.870 7.891 5.836 1.00 0.00 H new ATOM 0 H2 GLY A -1 7.840 6.804 6.709 1.00 0.00 H new ATOM 0 H3 GLY A -1 8.488 8.280 6.175 1.00 0.00 H new ATOM 0 HA2 GLY A -1 7.420 6.883 3.970 1.00 0.00 H new ATOM 0 HA3 GLY A -1 9.061 7.441 4.230 1.00 0.00 H new ATOM 10 N SER A 0 9.403 4.892 3.900 1.00 0.00 N ATOM 11 CA SER A 0 9.889 3.523 3.959 1.00 0.00 C ATOM 12 C SER A 0 11.196 3.481 4.739 1.00 0.00 C ATOM 13 O SER A 0 12.078 4.309 4.527 1.00 0.00 O ATOM 14 CB SER A 0 10.091 2.965 2.541 1.00 0.00 C ATOM 15 OG SER A 0 10.328 1.569 2.559 1.00 0.00 O ATOM 0 H SER A 0 9.648 5.385 3.041 1.00 0.00 H new ATOM 0 HA SER A 0 9.151 2.902 4.467 1.00 0.00 H new ATOM 0 HB2 SER A 0 9.209 3.177 1.937 1.00 0.00 H new ATOM 0 HB3 SER A 0 10.932 3.471 2.066 1.00 0.00 H new ATOM 0 HG SER A 0 9.613 1.109 2.072 1.00 0.00 H new ATOM 21 N LEU A 1 11.306 2.535 5.655 1.00 0.00 N ATOM 22 CA LEU A 1 12.491 2.424 6.498 1.00 0.00 C ATOM 23 C LEU A 1 13.136 1.064 6.328 1.00 0.00 C ATOM 24 O LEU A 1 14.221 0.803 6.846 1.00 0.00 O ATOM 25 CB LEU A 1 12.106 2.604 7.965 1.00 0.00 C ATOM 26 CG LEU A 1 11.319 3.878 8.279 1.00 0.00 C ATOM 27 CD1 LEU A 1 10.780 3.834 9.698 1.00 0.00 C ATOM 28 CD2 LEU A 1 12.186 5.113 8.064 1.00 0.00 C ATOM 0 H LEU A 1 10.591 1.831 5.837 1.00 0.00 H new ATOM 0 HA LEU A 1 13.196 3.200 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.514 1.744 8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.015 2.600 8.566 1.00 0.00 H new ATOM 0 HG LEU A 1 10.472 3.938 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 1 10.223 4.748 9.904 1.00 0.00 H new ATOM 0 HD12 LEU A 1 10.120 2.974 9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.610 3.749 10.400 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.607 6.008 8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.056 5.066 8.719 1.00 0.00 H new ATOM 0 HD23 LEU A 1 12.516 5.150 7.026 1.00 0.00 H new ATOM 40 N ILE A 2 12.463 0.203 5.594 1.00 0.00 N ATOM 41 CA ILE A 2 12.842 -1.191 5.535 1.00 0.00 C ATOM 42 C ILE A 2 13.853 -1.424 4.413 1.00 0.00 C ATOM 43 O ILE A 2 13.687 -0.903 3.312 1.00 0.00 O ATOM 44 CB ILE A 2 11.581 -2.073 5.364 1.00 0.00 C ATOM 45 CG1 ILE A 2 11.828 -3.471 5.921 1.00 0.00 C ATOM 46 CG2 ILE A 2 11.117 -2.128 3.916 1.00 0.00 C ATOM 47 CD1 ILE A 2 12.001 -3.474 7.426 1.00 0.00 C ATOM 0 H ILE A 2 11.649 0.446 5.029 1.00 0.00 H new ATOM 0 HA ILE A 2 13.325 -1.473 6.471 1.00 0.00 H new ATOM 0 HB ILE A 2 10.775 -1.613 5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.993 -4.118 5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 2 12.719 -3.892 5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.230 -2.757 3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.878 -1.122 3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.910 -2.544 3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 2 12.174 -4.494 7.770 1.00 0.00 H new ATOM 0 HD12 ILE A 2 12.853 -2.850 7.695 1.00 0.00 H new ATOM 0 HD13 ILE A 2 11.100 -3.080 7.897 1.00 0.00 H new ATOM 59 N LEU A 3 14.909 -2.190 4.713 1.00 0.00 N ATOM 60 CA LEU A 3 16.006 -2.433 3.766 1.00 0.00 C ATOM 61 C LEU A 3 16.801 -1.155 3.534 1.00 0.00 C ATOM 62 O LEU A 3 16.465 -0.379 2.654 1.00 0.00 O ATOM 63 CB LEU A 3 15.495 -2.951 2.414 1.00 0.00 C ATOM 64 CG LEU A 3 15.088 -4.421 2.352 1.00 0.00 C ATOM 65 CD1 LEU A 3 13.862 -4.700 3.206 1.00 0.00 C ATOM 66 CD2 LEU A 3 14.826 -4.806 0.910 1.00 0.00 C ATOM 0 H LEU A 3 15.028 -2.656 5.612 1.00 0.00 H new ATOM 0 HA LEU A 3 16.644 -3.197 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 3 14.636 -2.348 2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.272 -2.782 1.669 1.00 0.00 H new ATOM 0 HG LEU A 3 15.904 -5.023 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.603 -5.756 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.076 -4.447 4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.026 -4.097 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.535 -5.855 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.023 -4.188 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.731 -4.653 0.322 1.00 0.00 H new ATOM 78 N ASP A 4 17.844 -0.936 4.325 1.00 0.00 N ATOM 79 CA ASP A 4 18.667 0.271 4.194 1.00 0.00 C ATOM 80 C ASP A 4 19.447 0.241 2.887 1.00 0.00 C ATOM 81 O ASP A 4 20.616 -0.148 2.870 1.00 0.00 O ATOM 82 CB ASP A 4 19.653 0.390 5.361 1.00 0.00 C ATOM 83 CG ASP A 4 18.982 0.298 6.710 1.00 0.00 C ATOM 84 OD1 ASP A 4 18.805 -0.833 7.212 1.00 0.00 O ATOM 85 OD2 ASP A 4 18.636 1.352 7.278 1.00 0.00 O ATOM 0 H ASP A 4 18.143 -1.573 5.063 1.00 0.00 H new ATOM 0 HA ASP A 4 17.998 1.132 4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 4 20.402 -0.398 5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 4 20.181 1.341 5.288 1.00 0.00 H new ATOM 90 N GLY A 5 18.803 0.654 1.799 1.00 0.00 N ATOM 91 CA GLY A 5 19.376 0.464 0.481 1.00 0.00 C ATOM 92 C GLY A 5 19.782 -0.976 0.297 1.00 0.00 C ATOM 93 O GLY A 5 20.911 -1.275 -0.097 1.00 0.00 O ATOM 0 H GLY A 5 17.894 1.117 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 5 18.652 0.747 -0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 5 20.242 1.113 0.355 1.00 0.00 H new ATOM 97 N ASP A 6 18.840 -1.866 0.563 1.00 0.00 N ATOM 98 CA ASP A 6 19.175 -3.267 0.812 1.00 0.00 C ATOM 99 C ASP A 6 18.194 -4.195 0.102 1.00 0.00 C ATOM 100 O ASP A 6 17.453 -3.759 -0.770 1.00 0.00 O ATOM 101 CB ASP A 6 19.172 -3.516 2.326 1.00 0.00 C ATOM 102 CG ASP A 6 19.947 -4.750 2.738 1.00 0.00 C ATOM 103 OD1 ASP A 6 19.319 -5.802 2.958 1.00 0.00 O ATOM 104 OD2 ASP A 6 21.187 -4.671 2.851 1.00 0.00 O ATOM 0 H ASP A 6 17.844 -1.651 0.613 1.00 0.00 H new ATOM 0 HA ASP A 6 20.167 -3.480 0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 6 19.594 -2.647 2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 6 18.142 -3.613 2.668 1.00 0.00 H new ATOM 109 N LEU A 7 18.163 -5.464 0.485 1.00 0.00 N ATOM 110 CA LEU A 7 17.361 -6.448 -0.231 1.00 0.00 C ATOM 111 C LEU A 7 17.110 -7.699 0.608 1.00 0.00 C ATOM 112 O LEU A 7 18.016 -8.235 1.243 1.00 0.00 O ATOM 113 CB LEU A 7 18.018 -6.797 -1.580 1.00 0.00 C ATOM 114 CG LEU A 7 19.520 -7.115 -1.541 1.00 0.00 C ATOM 115 CD1 LEU A 7 19.755 -8.591 -1.266 1.00 0.00 C ATOM 116 CD2 LEU A 7 20.172 -6.729 -2.859 1.00 0.00 C ATOM 0 H LEU A 7 18.680 -5.835 1.282 1.00 0.00 H new ATOM 0 HA LEU A 7 16.386 -6.003 -0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.497 -7.656 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 7 17.862 -5.962 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 7 19.968 -6.536 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 7 20.826 -8.791 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 7 19.316 -8.856 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 7 19.292 -9.186 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 7 21.237 -6.959 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 7 19.710 -7.289 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.038 -5.661 -3.032 1.00 0.00 H new ATOM 128 N LEU A 8 15.857 -8.138 0.624 1.00 0.00 N ATOM 129 CA LEU A 8 15.474 -9.358 1.321 1.00 0.00 C ATOM 130 C LEU A 8 14.789 -10.319 0.358 1.00 0.00 C ATOM 131 O LEU A 8 15.349 -11.359 0.016 1.00 0.00 O ATOM 132 CB LEU A 8 14.545 -9.048 2.500 1.00 0.00 C ATOM 133 CG LEU A 8 15.181 -8.261 3.649 1.00 0.00 C ATOM 134 CD1 LEU A 8 14.144 -7.966 4.722 1.00 0.00 C ATOM 135 CD2 LEU A 8 16.355 -9.027 4.240 1.00 0.00 C ATOM 0 H LEU A 8 15.084 -7.662 0.158 1.00 0.00 H new ATOM 0 HA LEU A 8 16.379 -9.825 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.689 -8.486 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.161 -9.989 2.895 1.00 0.00 H new ATOM 0 HG LEU A 8 15.554 -7.316 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.609 -7.406 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.334 -7.377 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.745 -8.903 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.793 -8.450 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.008 -9.988 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.107 -9.193 3.468 1.00 0.00 H new ATOM 147 N LYS A 9 13.575 -9.950 -0.079 1.00 0.00 N ATOM 148 CA LYS A 9 12.803 -10.730 -1.059 1.00 0.00 C ATOM 149 C LYS A 9 12.281 -12.033 -0.453 1.00 0.00 C ATOM 150 O LYS A 9 11.075 -12.212 -0.270 1.00 0.00 O ATOM 151 CB LYS A 9 13.648 -11.046 -2.300 1.00 0.00 C ATOM 152 CG LYS A 9 14.204 -9.820 -3.006 1.00 0.00 C ATOM 153 CD LYS A 9 15.213 -10.220 -4.068 1.00 0.00 C ATOM 154 CE LYS A 9 15.734 -9.019 -4.838 1.00 0.00 C ATOM 155 NZ LYS A 9 16.736 -9.414 -5.862 1.00 0.00 N ATOM 0 H LYS A 9 13.101 -9.104 0.237 1.00 0.00 H new ATOM 0 HA LYS A 9 11.951 -10.117 -1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.477 -11.689 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.040 -11.612 -3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.390 -9.259 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.677 -9.160 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.048 -10.739 -3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.751 -10.923 -4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.902 -8.508 -5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.184 -8.309 -4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.069 -8.568 -6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.542 -9.879 -5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.300 -10.072 -6.539 1.00 0.00 H new ATOM 169 N ASP A 10 13.203 -12.926 -0.134 1.00 0.00 N ATOM 170 CA ASP A 10 12.874 -14.244 0.393 1.00 0.00 C ATOM 171 C ASP A 10 12.998 -14.230 1.917 1.00 0.00 C ATOM 172 O ASP A 10 13.441 -15.193 2.544 1.00 0.00 O ATOM 173 CB ASP A 10 13.808 -15.291 -0.236 1.00 0.00 C ATOM 174 CG ASP A 10 13.503 -16.716 0.191 1.00 0.00 C ATOM 175 OD1 ASP A 10 12.317 -17.107 0.196 1.00 0.00 O ATOM 176 OD2 ASP A 10 14.457 -17.459 0.511 1.00 0.00 O ATOM 0 H ASP A 10 14.204 -12.759 -0.233 1.00 0.00 H new ATOM 0 HA ASP A 10 11.847 -14.506 0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.737 -15.223 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.838 -15.054 0.031 1.00 0.00 H new ATOM 181 N LYS A 11 12.597 -13.116 2.508 1.00 0.00 N ATOM 182 CA LYS A 11 12.631 -12.957 3.956 1.00 0.00 C ATOM 183 C LYS A 11 11.490 -13.738 4.604 1.00 0.00 C ATOM 184 O LYS A 11 11.586 -14.175 5.750 1.00 0.00 O ATOM 185 CB LYS A 11 12.489 -11.482 4.331 1.00 0.00 C ATOM 186 CG LYS A 11 11.146 -10.905 3.923 1.00 0.00 C ATOM 187 CD LYS A 11 10.698 -9.795 4.851 1.00 0.00 C ATOM 188 CE LYS A 11 9.191 -9.617 4.781 1.00 0.00 C ATOM 189 NZ LYS A 11 8.716 -8.523 5.662 1.00 0.00 N ATOM 0 H LYS A 11 12.242 -12.303 2.005 1.00 0.00 H new ATOM 0 HA LYS A 11 13.587 -13.338 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.617 -11.370 5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.286 -10.911 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.211 -10.522 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.398 -11.697 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.995 -10.026 5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.193 -8.863 4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.899 -9.406 3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.703 -10.549 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.787 -8.773 6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.394 -8.383 6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.634 -7.645 5.111 1.00 0.00 H new ATOM 203 N LEU A 12 10.408 -13.898 3.858 1.00 0.00 N ATOM 204 CA LEU A 12 9.194 -14.492 4.383 1.00 0.00 C ATOM 205 C LEU A 12 9.063 -15.949 3.948 1.00 0.00 C ATOM 206 O LEU A 12 9.828 -16.427 3.109 1.00 0.00 O ATOM 207 CB LEU A 12 7.979 -13.660 3.935 1.00 0.00 C ATOM 208 CG LEU A 12 7.885 -13.361 2.428 1.00 0.00 C ATOM 209 CD1 LEU A 12 7.388 -14.572 1.650 1.00 0.00 C ATOM 210 CD2 LEU A 12 6.957 -12.183 2.183 1.00 0.00 C ATOM 0 H LEU A 12 10.349 -13.621 2.878 1.00 0.00 H new ATOM 0 HA LEU A 12 9.238 -14.487 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.073 -14.184 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.994 -12.712 4.473 1.00 0.00 H new ATOM 0 HG LEU A 12 8.887 -13.116 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.334 -14.326 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.076 -15.405 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.398 -14.853 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.899 -11.982 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.963 -12.418 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.343 -11.303 2.697 1.00 0.00 H new ATOM 222 N LYS A 13 8.097 -16.646 4.530 1.00 0.00 N ATOM 223 CA LYS A 13 7.822 -18.031 4.166 1.00 0.00 C ATOM 224 C LYS A 13 6.317 -18.274 4.152 1.00 0.00 C ATOM 225 O LYS A 13 5.838 -19.360 4.476 1.00 0.00 O ATOM 226 CB LYS A 13 8.531 -18.997 5.125 1.00 0.00 C ATOM 227 CG LYS A 13 8.193 -18.806 6.597 1.00 0.00 C ATOM 228 CD LYS A 13 9.005 -19.759 7.462 1.00 0.00 C ATOM 229 CE LYS A 13 8.748 -19.557 8.947 1.00 0.00 C ATOM 230 NZ LYS A 13 7.368 -19.936 9.344 1.00 0.00 N ATOM 0 H LYS A 13 7.488 -16.274 5.259 1.00 0.00 H new ATOM 0 HA LYS A 13 8.211 -18.217 3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.279 -20.018 4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.608 -18.886 4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.396 -17.776 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.129 -18.979 6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.763 -20.787 7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.066 -19.616 7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.462 -20.149 9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.922 -18.512 9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.255 -19.812 10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.685 -19.331 8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.196 -20.931 9.095 1.00 0.00 H new ATOM 244 N LEU A 14 5.582 -17.248 3.749 1.00 0.00 N ATOM 245 CA LEU A 14 4.132 -17.314 3.678 1.00 0.00 C ATOM 246 C LEU A 14 3.672 -16.835 2.308 1.00 0.00 C ATOM 247 O LEU A 14 4.313 -15.971 1.711 1.00 0.00 O ATOM 248 CB LEU A 14 3.504 -16.433 4.760 1.00 0.00 C ATOM 249 CG LEU A 14 3.982 -16.696 6.191 1.00 0.00 C ATOM 250 CD1 LEU A 14 3.386 -15.672 7.145 1.00 0.00 C ATOM 251 CD2 LEU A 14 3.623 -18.106 6.627 1.00 0.00 C ATOM 0 H LEU A 14 5.973 -16.350 3.463 1.00 0.00 H new ATOM 0 HA LEU A 14 3.818 -18.346 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.705 -15.390 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.423 -16.565 4.728 1.00 0.00 H new ATOM 0 HG LEU A 14 5.067 -16.600 6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.735 -15.872 8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.697 -14.671 6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.298 -15.738 7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.972 -18.272 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.541 -18.235 6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.098 -18.825 5.960 1.00 0.00 H new ATOM 263 N PRO A 15 2.564 -17.384 1.783 1.00 0.00 N ATOM 264 CA PRO A 15 2.017 -16.950 0.497 1.00 0.00 C ATOM 265 C PRO A 15 1.406 -15.567 0.591 1.00 0.00 C ATOM 266 O PRO A 15 1.312 -14.823 -0.387 1.00 0.00 O ATOM 267 CB PRO A 15 0.959 -18.007 0.183 1.00 0.00 C ATOM 268 CG PRO A 15 0.556 -18.550 1.505 1.00 0.00 C ATOM 269 CD PRO A 15 1.773 -18.469 2.388 1.00 0.00 C ATOM 0 HA PRO A 15 2.779 -16.871 -0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.108 -17.571 -0.341 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.362 -18.790 -0.460 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.268 -17.974 1.926 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.211 -19.580 1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.506 -18.243 3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.324 -19.409 2.400 1.00 0.00 H new ATOM 277 N VAL A 16 1.001 -15.253 1.793 1.00 0.00 N ATOM 278 CA VAL A 16 0.479 -13.943 2.144 1.00 0.00 C ATOM 279 C VAL A 16 0.894 -13.618 3.567 1.00 0.00 C ATOM 280 O VAL A 16 0.896 -14.487 4.440 1.00 0.00 O ATOM 281 CB VAL A 16 -1.068 -13.846 2.058 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.501 -12.389 2.187 1.00 0.00 C ATOM 283 CG2 VAL A 16 -1.601 -14.436 0.762 1.00 0.00 C ATOM 0 H VAL A 16 1.022 -15.907 2.576 1.00 0.00 H new ATOM 0 HA VAL A 16 0.889 -13.238 1.421 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.486 -14.428 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.587 -12.326 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.168 -11.994 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.058 -11.805 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.687 -14.348 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.177 -13.896 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.321 -15.487 0.699 1.00 0.00 H new ATOM 293 N ILE A 17 1.262 -12.375 3.787 1.00 0.00 N ATOM 294 CA ILE A 17 1.634 -11.901 5.104 1.00 0.00 C ATOM 295 C ILE A 17 0.385 -11.419 5.821 1.00 0.00 C ATOM 296 O ILE A 17 -0.626 -11.141 5.170 1.00 0.00 O ATOM 297 CB ILE A 17 2.651 -10.746 5.003 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.629 -11.014 3.863 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.404 -10.579 6.307 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.704 -9.959 3.712 1.00 0.00 C ATOM 0 H ILE A 17 1.312 -11.663 3.058 1.00 0.00 H new ATOM 0 HA ILE A 17 2.097 -12.717 5.659 1.00 0.00 H new ATOM 0 HB ILE A 17 2.108 -9.823 4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.104 -11.981 4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.071 -11.086 2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.116 -9.759 6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.699 -10.358 7.108 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.939 -11.500 6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.358 -10.222 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.240 -8.992 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.289 -9.902 4.630 1.00 0.00 H new ATOM 312 N ASP A 18 0.435 -11.316 7.142 1.00 0.00 N ATOM 313 CA ASP A 18 -0.729 -10.873 7.890 1.00 0.00 C ATOM 314 C ASP A 18 -1.067 -9.447 7.489 1.00 0.00 C ATOM 315 O ASP A 18 -0.180 -8.601 7.363 1.00 0.00 O ATOM 316 CB ASP A 18 -0.505 -10.958 9.401 1.00 0.00 C ATOM 317 CG ASP A 18 -1.809 -10.841 10.166 1.00 0.00 C ATOM 318 OD1 ASP A 18 -2.297 -11.866 10.681 1.00 0.00 O ATOM 319 OD2 ASP A 18 -2.374 -9.730 10.229 1.00 0.00 O ATOM 0 H ASP A 18 1.256 -11.530 7.709 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.561 -11.536 7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.023 -11.905 9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.174 -10.165 9.714 1.00 0.00 H new ATOM 324 N ASN A 19 -2.347 -9.186 7.290 1.00 0.00 N ATOM 325 CA ASN A 19 -2.802 -7.896 6.795 1.00 0.00 C ATOM 326 C ASN A 19 -2.578 -6.798 7.831 1.00 0.00 C ATOM 327 O ASN A 19 -2.648 -5.616 7.511 1.00 0.00 O ATOM 328 CB ASN A 19 -4.271 -7.985 6.387 1.00 0.00 C ATOM 329 CG ASN A 19 -4.471 -8.948 5.229 1.00 0.00 C ATOM 330 OD1 ASN A 19 -3.627 -9.045 4.334 1.00 0.00 O ATOM 331 ND2 ASN A 19 -5.566 -9.690 5.252 1.00 0.00 N ATOM 0 H ASN A 19 -3.096 -9.856 7.465 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.215 -7.632 5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.867 -8.311 7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.632 -6.996 6.105 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.736 -10.372 4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.240 -9.580 6.009 1.00 0.00 H new ATOM 338 N LEU A 20 -2.293 -7.196 9.067 1.00 0.00 N ATOM 339 CA LEU A 20 -1.888 -6.261 10.103 1.00 0.00 C ATOM 340 C LEU A 20 -0.515 -5.686 9.775 1.00 0.00 C ATOM 341 O LEU A 20 -0.279 -4.487 9.922 1.00 0.00 O ATOM 342 CB LEU A 20 -1.859 -6.968 11.460 1.00 0.00 C ATOM 343 CG LEU A 20 -1.074 -6.255 12.557 1.00 0.00 C ATOM 344 CD1 LEU A 20 -1.711 -4.920 12.905 1.00 0.00 C ATOM 345 CD2 LEU A 20 -0.963 -7.141 13.785 1.00 0.00 C ATOM 0 H LEU A 20 -2.337 -8.168 9.374 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.608 -5.444 10.150 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.885 -7.103 11.801 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.435 -7.963 11.323 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.069 -6.054 12.185 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.131 -4.434 13.689 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.730 -4.284 12.020 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.730 -5.083 13.256 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.401 -6.620 14.560 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.961 -7.375 14.156 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.448 -8.065 13.522 1.00 0.00 H new ATOM 357 N PHE A 21 0.383 -6.551 9.309 1.00 0.00 N ATOM 358 CA PHE A 21 1.709 -6.120 8.889 1.00 0.00 C ATOM 359 C PHE A 21 1.575 -5.174 7.705 1.00 0.00 C ATOM 360 O PHE A 21 2.316 -4.196 7.581 1.00 0.00 O ATOM 361 CB PHE A 21 2.576 -7.326 8.506 1.00 0.00 C ATOM 362 CG PHE A 21 3.994 -6.960 8.160 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.924 -6.717 9.157 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.392 -6.855 6.837 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.225 -6.376 8.842 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.692 -6.514 6.516 1.00 0.00 C ATOM 367 CZ PHE A 21 6.609 -6.274 7.520 1.00 0.00 C ATOM 0 H PHE A 21 0.215 -7.552 9.214 1.00 0.00 H new ATOM 0 HA PHE A 21 2.195 -5.604 9.717 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.584 -8.035 9.334 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.122 -7.834 7.655 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.629 -6.795 10.193 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.678 -7.042 6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.941 -6.189 9.629 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.990 -6.435 5.481 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.625 -6.007 7.271 1.00 0.00 H new ATOM 377 N GLY A 22 0.611 -5.475 6.845 1.00 0.00 N ATOM 378 CA GLY A 22 0.308 -4.598 5.739 1.00 0.00 C ATOM 379 C GLY A 22 -0.215 -3.269 6.224 1.00 0.00 C ATOM 380 O GLY A 22 0.289 -2.221 5.837 1.00 0.00 O ATOM 0 H GLY A 22 0.034 -6.314 6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.205 -4.442 5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.431 -5.068 5.091 1.00 0.00 H new ATOM 384 N LYS A 23 -1.213 -3.318 7.098 1.00 0.00 N ATOM 385 CA LYS A 23 -1.796 -2.122 7.680 1.00 0.00 C ATOM 386 C LYS A 23 -0.722 -1.227 8.287 1.00 0.00 C ATOM 387 O LYS A 23 -0.802 -0.013 8.186 1.00 0.00 O ATOM 388 CB LYS A 23 -2.824 -2.514 8.737 1.00 0.00 C ATOM 389 CG LYS A 23 -4.155 -2.978 8.164 1.00 0.00 C ATOM 390 CD LYS A 23 -4.900 -1.844 7.478 1.00 0.00 C ATOM 391 CE LYS A 23 -6.218 -2.317 6.882 1.00 0.00 C ATOM 392 NZ LYS A 23 -7.120 -2.905 7.908 1.00 0.00 N ATOM 0 H LYS A 23 -1.638 -4.187 7.421 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.291 -1.557 6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.409 -3.310 9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.000 -1.661 9.392 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.983 -3.784 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.772 -3.387 8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.091 -1.047 8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.275 -1.422 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.718 -1.478 6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.019 -3.058 6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.071 -3.026 7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.750 -3.830 8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.170 -2.271 8.731 1.00 0.00 H new ATOM 406 N GLU A 24 0.281 -1.843 8.901 1.00 0.00 N ATOM 407 CA GLU A 24 1.420 -1.133 9.444 1.00 0.00 C ATOM 408 C GLU A 24 2.163 -0.350 8.365 1.00 0.00 C ATOM 409 O GLU A 24 2.441 0.837 8.530 1.00 0.00 O ATOM 410 CB GLU A 24 2.340 -2.146 10.092 1.00 0.00 C ATOM 411 CG GLU A 24 2.018 -2.393 11.545 1.00 0.00 C ATOM 412 CD GLU A 24 2.391 -1.220 12.428 1.00 0.00 C ATOM 413 OE1 GLU A 24 1.577 -0.282 12.562 1.00 0.00 O ATOM 414 OE2 GLU A 24 3.502 -1.231 12.995 1.00 0.00 O ATOM 0 H GLU A 24 0.322 -2.853 9.034 1.00 0.00 H new ATOM 0 HA GLU A 24 1.074 -0.406 10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.276 -3.088 9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.370 -1.799 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.952 -2.597 11.648 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.548 -3.283 11.885 1.00 0.00 H new ATOM 421 N LEU A 25 2.483 -1.029 7.269 1.00 0.00 N ATOM 422 CA LEU A 25 3.119 -0.394 6.117 1.00 0.00 C ATOM 423 C LEU A 25 2.309 0.814 5.665 1.00 0.00 C ATOM 424 O LEU A 25 2.793 1.950 5.646 1.00 0.00 O ATOM 425 CB LEU A 25 3.189 -1.372 4.950 1.00 0.00 C ATOM 426 CG LEU A 25 3.854 -2.708 5.233 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.677 -3.630 4.040 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.326 -2.514 5.558 1.00 0.00 C ATOM 0 H LEU A 25 2.311 -2.028 7.153 1.00 0.00 H new ATOM 0 HA LEU A 25 4.121 -0.086 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.174 -1.562 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.723 -0.890 4.131 1.00 0.00 H new ATOM 0 HG LEU A 25 3.380 -3.166 6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.155 -4.588 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.614 -3.787 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.134 -3.178 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.785 -3.482 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.826 -2.043 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.424 -1.878 6.438 1.00 0.00 H new ATOM 440 N LEU A 26 1.056 0.545 5.322 1.00 0.00 N ATOM 441 CA LEU A 26 0.169 1.553 4.769 1.00 0.00 C ATOM 442 C LEU A 26 -0.068 2.674 5.762 1.00 0.00 C ATOM 443 O LEU A 26 -0.188 3.824 5.379 1.00 0.00 O ATOM 444 CB LEU A 26 -1.172 0.935 4.353 1.00 0.00 C ATOM 445 CG LEU A 26 -1.143 0.098 3.072 1.00 0.00 C ATOM 446 CD1 LEU A 26 -0.307 -1.144 3.251 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.555 -0.260 2.636 1.00 0.00 C ATOM 0 H LEU A 26 0.629 -0.376 5.420 1.00 0.00 H new ATOM 0 HA LEU A 26 0.654 1.967 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.531 0.307 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.898 1.738 4.225 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.682 0.699 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.305 -1.718 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.715 -0.861 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.725 -1.752 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.514 -0.855 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.044 -0.835 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.120 0.653 2.449 1.00 0.00 H new ATOM 459 N ASP A 27 -0.132 2.322 7.034 1.00 0.00 N ATOM 460 CA ASP A 27 -0.315 3.300 8.106 1.00 0.00 C ATOM 461 C ASP A 27 0.792 4.347 8.089 1.00 0.00 C ATOM 462 O ASP A 27 0.537 5.542 8.254 1.00 0.00 O ATOM 463 CB ASP A 27 -0.350 2.592 9.464 1.00 0.00 C ATOM 464 CG ASP A 27 -0.402 3.547 10.636 1.00 0.00 C ATOM 465 OD1 ASP A 27 0.484 3.460 11.513 1.00 0.00 O ATOM 466 OD2 ASP A 27 -1.329 4.378 10.697 1.00 0.00 O ATOM 0 H ASP A 27 -0.060 1.357 7.358 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.265 3.809 7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.219 1.935 9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.532 1.959 9.559 1.00 0.00 H new ATOM 471 N LYS A 28 2.021 3.903 7.862 1.00 0.00 N ATOM 472 CA LYS A 28 3.158 4.810 7.808 1.00 0.00 C ATOM 473 C LYS A 28 3.099 5.678 6.551 1.00 0.00 C ATOM 474 O LYS A 28 3.577 6.813 6.543 1.00 0.00 O ATOM 475 CB LYS A 28 4.474 4.028 7.849 1.00 0.00 C ATOM 476 CG LYS A 28 4.600 3.122 9.064 1.00 0.00 C ATOM 477 CD LYS A 28 5.974 2.479 9.151 1.00 0.00 C ATOM 478 CE LYS A 28 6.046 1.485 10.299 1.00 0.00 C ATOM 479 NZ LYS A 28 7.435 1.030 10.563 1.00 0.00 N ATOM 0 H LYS A 28 2.255 2.922 7.713 1.00 0.00 H new ATOM 0 HA LYS A 28 3.112 5.461 8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.558 3.425 6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.307 4.731 7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.412 3.700 9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.838 2.344 9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.201 1.972 8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.731 3.251 9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.639 1.944 11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.421 0.622 10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.435 0.354 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.817 0.568 9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.028 1.849 10.808 1.00 0.00 H new ATOM 493 N PHE A 29 2.502 5.144 5.493 1.00 0.00 N ATOM 494 CA PHE A 29 2.387 5.876 4.233 1.00 0.00 C ATOM 495 C PHE A 29 1.025 6.536 4.078 1.00 0.00 C ATOM 496 O PHE A 29 0.759 7.175 3.063 1.00 0.00 O ATOM 497 CB PHE A 29 2.640 4.948 3.047 1.00 0.00 C ATOM 498 CG PHE A 29 4.064 4.509 2.943 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.951 5.191 2.130 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.517 3.425 3.667 1.00 0.00 C ATOM 501 CE1 PHE A 29 6.269 4.796 2.041 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.832 3.023 3.583 1.00 0.00 C ATOM 503 CZ PHE A 29 6.708 3.710 2.769 1.00 0.00 C ATOM 0 H PHE A 29 2.091 4.211 5.479 1.00 0.00 H new ATOM 0 HA PHE A 29 3.144 6.660 4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.000 4.070 3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.354 5.457 2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.608 6.041 1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.833 2.886 4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.955 5.335 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.176 2.172 4.153 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.739 3.397 2.702 1.00 0.00 H new ATOM 513 N GLN A 30 0.174 6.388 5.086 1.00 0.00 N ATOM 514 CA GLN A 30 -1.158 6.931 5.056 1.00 0.00 C ATOM 515 C GLN A 30 -1.131 8.421 4.782 1.00 0.00 C ATOM 516 O GLN A 30 -1.904 8.929 3.976 1.00 0.00 O ATOM 517 CB GLN A 30 -1.845 6.656 6.386 1.00 0.00 C ATOM 518 CG GLN A 30 -3.184 7.298 6.474 1.00 0.00 C ATOM 519 CD GLN A 30 -3.965 6.923 7.715 1.00 0.00 C ATOM 520 OE1 GLN A 30 -5.195 6.898 7.698 1.00 0.00 O ATOM 521 NE2 GLN A 30 -3.266 6.630 8.802 1.00 0.00 N ATOM 0 H GLN A 30 0.399 5.885 5.945 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.714 6.451 4.250 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.951 5.580 6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.216 7.019 7.199 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.059 8.381 6.449 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.766 7.024 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.247 6.662 8.777 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.747 6.373 9.664 1.00 0.00 H new ATOM 530 N ASP A 31 -0.213 9.105 5.443 1.00 0.00 N ATOM 531 CA ASP A 31 -0.074 10.541 5.285 1.00 0.00 C ATOM 532 C ASP A 31 0.274 10.904 3.847 1.00 0.00 C ATOM 533 O ASP A 31 -0.180 11.921 3.338 1.00 0.00 O ATOM 534 CB ASP A 31 0.991 11.076 6.242 1.00 0.00 C ATOM 535 CG ASP A 31 1.290 12.542 6.017 1.00 0.00 C ATOM 536 OD1 ASP A 31 0.410 13.384 6.293 1.00 0.00 O ATOM 537 OD2 ASP A 31 2.414 12.858 5.575 1.00 0.00 O ATOM 0 H ASP A 31 0.449 8.686 6.096 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.031 11.004 5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.657 10.930 7.269 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.908 10.499 6.120 1.00 0.00 H new ATOM 542 N ASP A 32 1.044 10.050 3.183 1.00 0.00 N ATOM 543 CA ASP A 32 1.462 10.311 1.809 1.00 0.00 C ATOM 544 C ASP A 32 0.338 9.956 0.841 1.00 0.00 C ATOM 545 O ASP A 32 0.076 10.675 -0.124 1.00 0.00 O ATOM 546 CB ASP A 32 2.721 9.520 1.468 1.00 0.00 C ATOM 547 CG ASP A 32 3.338 9.963 0.156 1.00 0.00 C ATOM 548 OD1 ASP A 32 3.105 9.303 -0.875 1.00 0.00 O ATOM 549 OD2 ASP A 32 4.049 10.990 0.152 1.00 0.00 O ATOM 0 H ASP A 32 1.391 9.173 3.571 1.00 0.00 H new ATOM 0 HA ASP A 32 1.688 11.373 1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.451 9.639 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.478 8.459 1.413 1.00 0.00 H new ATOM 554 N ILE A 33 -0.339 8.849 1.125 1.00 0.00 N ATOM 555 CA ILE A 33 -1.494 8.425 0.342 1.00 0.00 C ATOM 556 C ILE A 33 -2.615 9.460 0.451 1.00 0.00 C ATOM 557 O ILE A 33 -3.319 9.745 -0.519 1.00 0.00 O ATOM 558 CB ILE A 33 -2.007 7.044 0.819 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.931 5.979 0.610 1.00 0.00 C ATOM 560 CG2 ILE A 33 -3.274 6.651 0.076 1.00 0.00 C ATOM 561 CD1 ILE A 33 -1.154 4.711 1.411 1.00 0.00 C ATOM 0 H ILE A 33 -0.106 8.225 1.897 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.185 8.339 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.237 7.116 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.887 5.724 -0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.039 6.399 0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.615 5.678 0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.049 7.395 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.067 6.598 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.348 4.006 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.167 4.950 2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.107 4.265 1.128 1.00 0.00 H new ATOM 573 N LYS A 34 -2.754 10.042 1.632 1.00 0.00 N ATOM 574 CA LYS A 34 -3.775 11.042 1.880 1.00 0.00 C ATOM 575 C LYS A 34 -3.318 12.391 1.348 1.00 0.00 C ATOM 576 O LYS A 34 -4.123 13.212 0.917 1.00 0.00 O ATOM 577 CB LYS A 34 -4.078 11.117 3.369 1.00 0.00 C ATOM 578 CG LYS A 34 -5.338 11.900 3.695 1.00 0.00 C ATOM 579 CD LYS A 34 -5.781 11.660 5.126 1.00 0.00 C ATOM 580 CE LYS A 34 -7.117 12.324 5.423 1.00 0.00 C ATOM 581 NZ LYS A 34 -7.056 13.805 5.298 1.00 0.00 N ATOM 0 H LYS A 34 -2.166 9.835 2.439 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.691 10.761 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.177 10.105 3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.232 11.576 3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.158 12.964 3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.136 11.610 3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.860 10.588 5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.024 12.044 5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.872 11.936 4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.434 12.060 6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.965 14.216 5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.297 14.174 5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.863 14.062 4.309 1.00 0.00 H new ATOM 595 N ASP A 35 -2.015 12.596 1.374 1.00 0.00 N ATOM 596 CA ASP A 35 -1.400 13.775 0.784 1.00 0.00 C ATOM 597 C ASP A 35 -1.725 13.878 -0.701 1.00 0.00 C ATOM 598 O ASP A 35 -2.064 14.949 -1.207 1.00 0.00 O ATOM 599 CB ASP A 35 0.116 13.718 0.970 1.00 0.00 C ATOM 600 CG ASP A 35 0.858 14.758 0.155 1.00 0.00 C ATOM 601 OD1 ASP A 35 1.422 14.398 -0.905 1.00 0.00 O ATOM 602 OD2 ASP A 35 0.878 15.935 0.567 1.00 0.00 O ATOM 0 H ASP A 35 -1.351 11.952 1.804 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.801 14.654 1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.351 13.857 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.472 12.726 0.692 1.00 0.00 H new ATOM 607 N LYS A 36 -1.628 12.754 -1.389 1.00 0.00 N ATOM 608 CA LYS A 36 -1.762 12.730 -2.835 1.00 0.00 C ATOM 609 C LYS A 36 -3.182 12.414 -3.298 1.00 0.00 C ATOM 610 O LYS A 36 -3.682 13.030 -4.237 1.00 0.00 O ATOM 611 CB LYS A 36 -0.765 11.734 -3.405 1.00 0.00 C ATOM 612 CG LYS A 36 0.646 12.270 -3.357 1.00 0.00 C ATOM 613 CD LYS A 36 1.657 11.167 -3.235 1.00 0.00 C ATOM 614 CE LYS A 36 3.056 11.726 -3.052 1.00 0.00 C ATOM 615 NZ LYS A 36 3.179 12.515 -1.795 1.00 0.00 N ATOM 0 H LYS A 36 -1.456 11.841 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.547 13.730 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.820 10.802 -2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.031 11.501 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.846 12.848 -4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.748 12.951 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.403 10.529 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.626 10.541 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.775 10.907 -3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.309 12.358 -3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.613 13.437 -2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.235 12.662 -1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.775 11.998 -1.118 1.00 0.00 H new ATOM 629 N TYR A 37 -3.833 11.465 -2.642 1.00 0.00 N ATOM 630 CA TYR A 37 -5.156 11.027 -3.074 1.00 0.00 C ATOM 631 C TYR A 37 -6.219 11.375 -2.041 1.00 0.00 C ATOM 632 O TYR A 37 -7.377 11.608 -2.383 1.00 0.00 O ATOM 633 CB TYR A 37 -5.147 9.519 -3.332 1.00 0.00 C ATOM 634 CG TYR A 37 -4.011 9.085 -4.224 1.00 0.00 C ATOM 635 CD1 TYR A 37 -4.082 9.255 -5.599 1.00 0.00 C ATOM 636 CD2 TYR A 37 -2.859 8.528 -3.686 1.00 0.00 C ATOM 637 CE1 TYR A 37 -3.033 8.884 -6.416 1.00 0.00 C ATOM 638 CE2 TYR A 37 -1.806 8.150 -4.494 1.00 0.00 C ATOM 639 CZ TYR A 37 -1.898 8.333 -5.861 1.00 0.00 C ATOM 640 OH TYR A 37 -0.852 7.976 -6.679 1.00 0.00 O ATOM 0 H TYR A 37 -3.473 10.986 -1.816 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.402 11.551 -3.998 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.077 8.993 -2.380 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.093 9.228 -3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.971 9.684 -6.037 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.786 8.388 -2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.101 9.025 -7.485 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.917 7.715 -4.062 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.836 8.562 -7.464 1.00 0.00 H new ATOM 650 N GLY A 38 -5.819 11.415 -0.780 1.00 0.00 N ATOM 651 CA GLY A 38 -6.758 11.713 0.283 1.00 0.00 C ATOM 652 C GLY A 38 -7.468 10.468 0.766 1.00 0.00 C ATOM 653 O GLY A 38 -8.696 10.411 0.789 1.00 0.00 O ATOM 0 H GLY A 38 -4.861 11.247 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.230 12.177 1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.492 12.436 -0.072 1.00 0.00 H new ATOM 657 N VAL A 39 -6.690 9.468 1.145 1.00 0.00 N ATOM 658 CA VAL A 39 -7.232 8.181 1.537 1.00 0.00 C ATOM 659 C VAL A 39 -6.903 7.876 2.992 1.00 0.00 C ATOM 660 O VAL A 39 -5.890 8.336 3.519 1.00 0.00 O ATOM 661 CB VAL A 39 -6.638 7.064 0.660 1.00 0.00 C ATOM 662 CG1 VAL A 39 -7.350 5.745 0.893 1.00 0.00 C ATOM 663 CG2 VAL A 39 -6.678 7.444 -0.813 1.00 0.00 C ATOM 0 H VAL A 39 -5.673 9.526 1.189 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.314 8.224 1.409 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.595 6.939 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.908 4.976 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.248 5.456 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.407 5.854 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.252 6.637 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.711 7.613 -1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.100 8.355 -0.970 1.00 0.00 H new ATOM 673 N ASP A 40 -7.766 7.102 3.629 1.00 0.00 N ATOM 674 CA ASP A 40 -7.509 6.603 4.971 1.00 0.00 C ATOM 675 C ASP A 40 -7.188 5.116 4.880 1.00 0.00 C ATOM 676 O ASP A 40 -7.971 4.341 4.326 1.00 0.00 O ATOM 677 CB ASP A 40 -8.720 6.830 5.874 1.00 0.00 C ATOM 678 CG ASP A 40 -8.392 6.631 7.342 1.00 0.00 C ATOM 679 OD1 ASP A 40 -8.465 7.617 8.107 1.00 0.00 O ATOM 680 OD2 ASP A 40 -8.055 5.497 7.740 1.00 0.00 O ATOM 0 H ASP A 40 -8.658 6.803 3.235 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.666 7.141 5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.098 7.841 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.518 6.145 5.587 1.00 0.00 H new ATOM 685 N THR A 41 -6.048 4.719 5.414 1.00 0.00 N ATOM 686 CA THR A 41 -5.534 3.376 5.192 1.00 0.00 C ATOM 687 C THR A 41 -6.261 2.313 6.010 1.00 0.00 C ATOM 688 O THR A 41 -6.135 1.121 5.726 1.00 0.00 O ATOM 689 CB THR A 41 -4.028 3.310 5.479 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.738 3.979 6.711 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.243 3.948 4.344 1.00 0.00 C ATOM 0 H THR A 41 -5.459 5.306 6.005 1.00 0.00 H new ATOM 0 HA THR A 41 -5.716 3.156 4.140 1.00 0.00 H new ATOM 0 HB THR A 41 -3.733 2.264 5.561 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.331 3.346 7.339 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.177 3.893 4.563 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.450 3.417 3.415 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.538 4.992 4.239 1.00 0.00 H new ATOM 699 N LYS A 42 -7.036 2.725 7.008 1.00 0.00 N ATOM 700 CA LYS A 42 -7.772 1.767 7.811 1.00 0.00 C ATOM 701 C LYS A 42 -9.003 1.289 7.049 1.00 0.00 C ATOM 702 O LYS A 42 -9.583 0.250 7.366 1.00 0.00 O ATOM 703 CB LYS A 42 -8.183 2.379 9.155 1.00 0.00 C ATOM 704 CG LYS A 42 -9.452 3.218 9.102 1.00 0.00 C ATOM 705 CD LYS A 42 -9.878 3.679 10.487 1.00 0.00 C ATOM 706 CE LYS A 42 -8.883 4.658 11.088 1.00 0.00 C ATOM 707 NZ LYS A 42 -8.817 5.926 10.319 1.00 0.00 N ATOM 0 H LYS A 42 -7.167 3.701 7.274 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.123 0.915 8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.323 1.576 9.879 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.366 3.000 9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.288 4.086 8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.255 2.636 8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.860 4.149 10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.978 2.814 11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.164 4.873 12.119 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.895 4.199 11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.458 6.686 10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.179 5.806 9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.768 6.176 9.979 1.00 0.00 H new ATOM 721 N ASP A 43 -9.374 2.043 6.021 1.00 0.00 N ATOM 722 CA ASP A 43 -10.559 1.737 5.232 1.00 0.00 C ATOM 723 C ASP A 43 -10.169 0.843 4.066 1.00 0.00 C ATOM 724 O ASP A 43 -10.993 0.111 3.512 1.00 0.00 O ATOM 725 CB ASP A 43 -11.201 3.029 4.716 1.00 0.00 C ATOM 726 CG ASP A 43 -12.575 2.807 4.114 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.572 2.880 4.864 1.00 0.00 O ATOM 728 OD2 ASP A 43 -12.672 2.583 2.887 1.00 0.00 O ATOM 0 H ASP A 43 -8.868 2.874 5.714 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.285 1.218 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.281 3.742 5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.550 3.478 3.966 1.00 0.00 H new ATOM 733 N LEU A 44 -8.894 0.906 3.713 1.00 0.00 N ATOM 734 CA LEU A 44 -8.350 0.091 2.643 1.00 0.00 C ATOM 735 C LEU A 44 -8.371 -1.380 3.030 1.00 0.00 C ATOM 736 O LEU A 44 -7.749 -1.792 4.012 1.00 0.00 O ATOM 737 CB LEU A 44 -6.923 0.529 2.316 1.00 0.00 C ATOM 738 CG LEU A 44 -6.793 1.941 1.742 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.329 2.325 1.606 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.498 2.034 0.394 1.00 0.00 C ATOM 0 H LEU A 44 -8.213 1.520 4.159 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.971 0.226 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.323 0.466 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.497 -0.177 1.603 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.270 2.640 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.254 3.332 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.852 2.295 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.829 1.623 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.396 3.045 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.048 1.326 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.555 1.798 0.519 1.00 0.00 H new ATOM 752 N LYS A 45 -9.099 -2.162 2.256 1.00 0.00 N ATOM 753 CA LYS A 45 -9.240 -3.578 2.515 1.00 0.00 C ATOM 754 C LYS A 45 -8.053 -4.336 1.950 1.00 0.00 C ATOM 755 O LYS A 45 -7.994 -4.607 0.754 1.00 0.00 O ATOM 756 CB LYS A 45 -10.539 -4.080 1.892 1.00 0.00 C ATOM 757 CG LYS A 45 -10.719 -5.582 1.970 1.00 0.00 C ATOM 758 CD LYS A 45 -12.062 -6.010 1.406 1.00 0.00 C ATOM 759 CE LYS A 45 -12.174 -7.522 1.317 1.00 0.00 C ATOM 760 NZ LYS A 45 -11.912 -8.181 2.623 1.00 0.00 N ATOM 0 H LYS A 45 -9.606 -1.834 1.434 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.272 -3.747 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.379 -3.597 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.570 -3.774 0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.918 -6.075 1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.639 -5.906 3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.862 -5.622 2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.197 -5.576 0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.171 -7.791 0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.467 -7.894 0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.163 -9.188 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.904 -8.089 2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.486 -7.727 3.362 1.00 0.00 H new ATOM 774 N ILE A 46 -7.097 -4.657 2.803 1.00 0.00 N ATOM 775 CA ILE A 46 -5.913 -5.363 2.359 1.00 0.00 C ATOM 776 C ILE A 46 -6.236 -6.816 2.052 1.00 0.00 C ATOM 777 O ILE A 46 -6.706 -7.568 2.910 1.00 0.00 O ATOM 778 CB ILE A 46 -4.760 -5.261 3.376 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.383 -3.787 3.568 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.562 -6.072 2.897 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.206 -3.553 4.486 1.00 0.00 C ATOM 0 H ILE A 46 -7.118 -4.441 3.800 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.575 -4.880 1.442 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.080 -5.670 4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.159 -3.353 2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.247 -3.253 3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.754 -5.992 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.850 -7.118 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.224 -5.687 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.011 -2.483 4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.431 -3.953 5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.326 -4.054 4.084 1.00 0.00 H new ATOM 793 N LEU A 47 -6.001 -7.179 0.804 1.00 0.00 N ATOM 794 CA LEU A 47 -6.319 -8.499 0.296 1.00 0.00 C ATOM 795 C LEU A 47 -5.137 -9.429 0.486 1.00 0.00 C ATOM 796 O LEU A 47 -5.282 -10.566 0.926 1.00 0.00 O ATOM 797 CB LEU A 47 -6.635 -8.410 -1.199 1.00 0.00 C ATOM 798 CG LEU A 47 -7.482 -7.210 -1.626 1.00 0.00 C ATOM 799 CD1 LEU A 47 -7.648 -7.191 -3.137 1.00 0.00 C ATOM 800 CD2 LEU A 47 -8.840 -7.239 -0.941 1.00 0.00 C ATOM 0 H LEU A 47 -5.581 -6.561 0.110 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.181 -8.885 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.695 -8.382 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.153 -9.322 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.966 -6.299 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.253 -6.332 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.668 -7.121 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.142 -8.107 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.426 -6.377 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.365 -8.155 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.703 -7.206 0.140 1.00 0.00 H new ATOM 812 N LYS A 48 -3.962 -8.919 0.161 1.00 0.00 N ATOM 813 CA LYS A 48 -2.763 -9.722 0.132 1.00 0.00 C ATOM 814 C LYS A 48 -1.554 -8.871 0.476 1.00 0.00 C ATOM 815 O LYS A 48 -1.124 -8.039 -0.327 1.00 0.00 O ATOM 816 CB LYS A 48 -2.579 -10.329 -1.259 1.00 0.00 C ATOM 817 CG LYS A 48 -1.518 -11.414 -1.330 1.00 0.00 C ATOM 818 CD LYS A 48 -1.336 -11.898 -2.759 1.00 0.00 C ATOM 819 CE LYS A 48 -0.262 -12.969 -2.874 1.00 0.00 C ATOM 820 NZ LYS A 48 1.095 -12.433 -2.600 1.00 0.00 N ATOM 0 H LYS A 48 -3.818 -7.941 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.859 -10.521 0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.531 -10.745 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.318 -9.535 -1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.572 -11.030 -0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.803 -12.250 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.282 -12.294 -3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.073 -11.053 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.480 -13.776 -2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.286 -13.399 -3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.805 -13.165 -2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.269 -11.604 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.163 -12.155 -1.600 1.00 0.00 H new ATOM 834 N THR A 49 -1.036 -9.052 1.673 1.00 0.00 N ATOM 835 CA THR A 49 0.214 -8.426 2.052 1.00 0.00 C ATOM 836 C THR A 49 1.359 -9.323 1.626 1.00 0.00 C ATOM 837 O THR A 49 1.378 -10.497 1.977 1.00 0.00 O ATOM 838 CB THR A 49 0.306 -8.206 3.571 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.907 -7.621 4.061 1.00 0.00 O ATOM 840 CG2 THR A 49 1.482 -7.303 3.908 1.00 0.00 C ATOM 0 H THR A 49 -1.461 -9.627 2.400 1.00 0.00 H new ATOM 0 HA THR A 49 0.267 -7.454 1.561 1.00 0.00 H new ATOM 0 HB THR A 49 0.456 -9.174 4.049 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.627 -8.285 4.027 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.532 -7.158 4.987 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.406 -7.765 3.561 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.352 -6.338 3.418 1.00 0.00 H new ATOM 848 N SER A 50 2.281 -8.804 0.839 1.00 0.00 N ATOM 849 CA SER A 50 3.469 -9.554 0.458 1.00 0.00 C ATOM 850 C SER A 50 4.551 -8.602 -0.022 1.00 0.00 C ATOM 851 O SER A 50 4.367 -7.384 -0.013 1.00 0.00 O ATOM 852 CB SER A 50 3.153 -10.559 -0.662 1.00 0.00 C ATOM 853 OG SER A 50 2.120 -11.459 -0.295 1.00 0.00 O ATOM 0 H SER A 50 2.233 -7.863 0.448 1.00 0.00 H new ATOM 0 HA SER A 50 3.816 -10.101 1.335 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.859 -10.018 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.053 -11.122 -0.908 1.00 0.00 H new ATOM 0 HG SER A 50 1.969 -11.407 0.672 1.00 0.00 H new ATOM 859 N GLU A 51 5.675 -9.159 -0.430 1.00 0.00 N ATOM 860 CA GLU A 51 6.709 -8.381 -1.074 1.00 0.00 C ATOM 861 C GLU A 51 7.285 -9.166 -2.232 1.00 0.00 C ATOM 862 O GLU A 51 7.267 -10.400 -2.237 1.00 0.00 O ATOM 863 CB GLU A 51 7.820 -7.979 -0.103 1.00 0.00 C ATOM 864 CG GLU A 51 8.606 -9.138 0.478 1.00 0.00 C ATOM 865 CD GLU A 51 9.853 -8.667 1.195 1.00 0.00 C ATOM 866 OE1 GLU A 51 9.725 -8.060 2.270 1.00 0.00 O ATOM 867 OE2 GLU A 51 10.966 -8.863 0.659 1.00 0.00 O ATOM 0 H GLU A 51 5.893 -10.150 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 51 6.255 -7.460 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.511 -7.312 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.380 -7.410 0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.975 -9.693 1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.884 -9.826 -0.321 1.00 0.00 H new ATOM 874 N ASP A 52 7.789 -8.445 -3.202 1.00 0.00 N ATOM 875 CA ASP A 52 8.349 -9.040 -4.397 1.00 0.00 C ATOM 876 C ASP A 52 9.473 -8.156 -4.897 1.00 0.00 C ATOM 877 O ASP A 52 9.289 -6.950 -5.074 1.00 0.00 O ATOM 878 CB ASP A 52 7.267 -9.208 -5.470 1.00 0.00 C ATOM 879 CG ASP A 52 7.780 -9.852 -6.742 1.00 0.00 C ATOM 880 OD1 ASP A 52 8.009 -9.128 -7.731 1.00 0.00 O ATOM 881 OD2 ASP A 52 7.945 -11.090 -6.762 1.00 0.00 O ATOM 0 H ASP A 52 7.824 -7.426 -3.188 1.00 0.00 H new ATOM 0 HA ASP A 52 8.742 -10.031 -4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.455 -9.813 -5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.847 -8.231 -5.709 1.00 0.00 H new ATOM 886 N LYS A 53 10.644 -8.751 -5.076 1.00 0.00 N ATOM 887 CA LYS A 53 11.833 -8.010 -5.477 1.00 0.00 C ATOM 888 C LYS A 53 12.169 -6.939 -4.434 1.00 0.00 C ATOM 889 O LYS A 53 12.057 -7.164 -3.227 1.00 0.00 O ATOM 890 CB LYS A 53 11.631 -7.368 -6.850 1.00 0.00 C ATOM 891 CG LYS A 53 11.094 -8.321 -7.892 1.00 0.00 C ATOM 892 CD LYS A 53 11.297 -7.768 -9.283 1.00 0.00 C ATOM 893 CE LYS A 53 10.488 -8.539 -10.307 1.00 0.00 C ATOM 894 NZ LYS A 53 9.029 -8.408 -10.060 1.00 0.00 N ATOM 0 H LYS A 53 10.797 -9.751 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 53 12.667 -8.709 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.944 -6.527 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.582 -6.964 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.596 -9.285 -7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.033 -8.497 -7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.008 -6.717 -9.304 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.354 -7.813 -9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.723 -8.174 -11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.770 -9.591 -10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.507 -8.642 -10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.746 -9.059 -9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.811 -7.431 -9.778 1.00 0.00 H new ATOM 908 N ARG A 54 12.546 -5.766 -4.909 1.00 0.00 N ATOM 909 CA ARG A 54 12.960 -4.670 -4.046 1.00 0.00 C ATOM 910 C ARG A 54 11.758 -3.934 -3.454 1.00 0.00 C ATOM 911 O ARG A 54 11.906 -2.855 -2.884 1.00 0.00 O ATOM 912 CB ARG A 54 13.792 -3.682 -4.863 1.00 0.00 C ATOM 913 CG ARG A 54 15.047 -4.283 -5.472 1.00 0.00 C ATOM 914 CD ARG A 54 15.668 -3.339 -6.488 1.00 0.00 C ATOM 915 NE ARG A 54 14.858 -3.216 -7.701 1.00 0.00 N ATOM 916 CZ ARG A 54 14.888 -2.156 -8.511 1.00 0.00 C ATOM 917 NH1 ARG A 54 15.685 -1.129 -8.234 1.00 0.00 N ATOM 918 NH2 ARG A 54 14.125 -2.129 -9.599 1.00 0.00 N ATOM 0 H ARG A 54 12.575 -5.544 -5.904 1.00 0.00 H new ATOM 0 HA ARG A 54 13.544 -5.086 -3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.172 -3.275 -5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.076 -2.846 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.769 -4.501 -4.685 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.804 -5.231 -5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.794 -2.355 -6.037 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.663 -3.698 -6.753 1.00 0.00 H new ATOM 0 HE ARG A 54 14.234 -3.986 -7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.274 -1.151 -7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.707 -0.319 -8.854 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.516 -2.919 -9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.148 -1.319 -10.218 1.00 0.00 H new ATOM 932 N PHE A 55 10.570 -4.513 -3.571 1.00 0.00 N ATOM 933 CA PHE A 55 9.350 -3.766 -3.283 1.00 0.00 C ATOM 934 C PHE A 55 8.349 -4.588 -2.478 1.00 0.00 C ATOM 935 O PHE A 55 8.357 -5.817 -2.526 1.00 0.00 O ATOM 936 CB PHE A 55 8.700 -3.327 -4.597 1.00 0.00 C ATOM 937 CG PHE A 55 9.692 -2.943 -5.661 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.998 -3.826 -6.685 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.323 -1.713 -5.631 1.00 0.00 C ATOM 940 CE1 PHE A 55 10.912 -3.484 -7.660 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.240 -1.367 -6.605 1.00 0.00 C ATOM 942 CZ PHE A 55 11.534 -2.254 -7.619 1.00 0.00 C ATOM 0 H PHE A 55 10.424 -5.481 -3.858 1.00 0.00 H new ATOM 0 HA PHE A 55 9.628 -2.899 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.074 -4.137 -4.971 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.043 -2.480 -4.402 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.516 -4.792 -6.720 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.097 -1.016 -4.838 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.140 -4.179 -8.455 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.726 -0.403 -6.572 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.251 -1.986 -8.381 1.00 0.00 H new ATOM 952 N TYR A 56 7.517 -3.895 -1.713 1.00 0.00 N ATOM 953 CA TYR A 56 6.371 -4.510 -1.060 1.00 0.00 C ATOM 954 C TYR A 56 5.160 -4.394 -1.966 1.00 0.00 C ATOM 955 O TYR A 56 5.061 -3.449 -2.744 1.00 0.00 O ATOM 956 CB TYR A 56 6.063 -3.833 0.277 1.00 0.00 C ATOM 957 CG TYR A 56 6.807 -4.407 1.459 1.00 0.00 C ATOM 958 CD1 TYR A 56 6.307 -5.507 2.144 1.00 0.00 C ATOM 959 CD2 TYR A 56 7.994 -3.843 1.902 1.00 0.00 C ATOM 960 CE1 TYR A 56 6.969 -6.029 3.236 1.00 0.00 C ATOM 961 CE2 TYR A 56 8.664 -4.361 2.993 1.00 0.00 C ATOM 962 CZ TYR A 56 8.149 -5.453 3.657 1.00 0.00 C ATOM 963 OH TYR A 56 8.814 -5.966 4.749 1.00 0.00 O ATOM 0 H TYR A 56 7.617 -2.897 -1.529 1.00 0.00 H new ATOM 0 HA TYR A 56 6.607 -5.557 -0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.301 -2.772 0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.992 -3.906 0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.384 -5.962 1.816 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.401 -2.986 1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.565 -6.884 3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.588 -3.912 3.325 1.00 0.00 H new ATOM 0 HH TYR A 56 9.776 -5.810 4.649 1.00 0.00 H new ATOM 973 N TYR A 57 4.247 -5.340 -1.863 1.00 0.00 N ATOM 974 CA TYR A 57 3.042 -5.323 -2.675 1.00 0.00 C ATOM 975 C TYR A 57 1.816 -5.519 -1.800 1.00 0.00 C ATOM 976 O TYR A 57 1.486 -6.642 -1.422 1.00 0.00 O ATOM 977 CB TYR A 57 3.092 -6.409 -3.756 1.00 0.00 C ATOM 978 CG TYR A 57 4.033 -6.103 -4.900 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.551 -5.567 -6.084 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.395 -6.354 -4.802 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.396 -5.291 -7.139 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.247 -6.078 -5.854 1.00 0.00 C ATOM 983 CZ TYR A 57 5.741 -5.548 -7.020 1.00 0.00 C ATOM 984 OH TYR A 57 6.585 -5.268 -8.072 1.00 0.00 O ATOM 0 H TYR A 57 4.315 -6.132 -1.224 1.00 0.00 H new ATOM 0 HA TYR A 57 2.979 -4.352 -3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.392 -7.350 -3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.088 -6.555 -4.155 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.495 -5.362 -6.182 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.795 -6.771 -3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.002 -4.875 -8.055 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.305 -6.277 -5.762 1.00 0.00 H new ATOM 0 HH TYR A 57 7.196 -6.022 -8.211 1.00 0.00 H new ATOM 994 N VAL A 58 1.164 -4.422 -1.451 1.00 0.00 N ATOM 995 CA VAL A 58 -0.047 -4.497 -0.653 1.00 0.00 C ATOM 996 C VAL A 58 -1.275 -4.360 -1.540 1.00 0.00 C ATOM 997 O VAL A 58 -1.718 -3.252 -1.844 1.00 0.00 O ATOM 998 CB VAL A 58 -0.097 -3.419 0.445 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.280 -3.673 1.366 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.207 -3.381 1.226 1.00 0.00 C ATOM 0 H VAL A 58 1.450 -3.477 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.040 -5.473 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.227 -2.444 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.309 -2.907 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.204 -3.641 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.176 -4.654 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.148 -2.612 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.379 -4.350 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.030 -3.154 0.549 1.00 0.00 H new ATOM 1010 N SER A 59 -1.804 -5.487 -1.972 1.00 0.00 N ATOM 1011 CA SER A 59 -2.995 -5.498 -2.799 1.00 0.00 C ATOM 1012 C SER A 59 -4.211 -5.237 -1.918 1.00 0.00 C ATOM 1013 O SER A 59 -4.423 -5.938 -0.931 1.00 0.00 O ATOM 1014 CB SER A 59 -3.121 -6.851 -3.501 1.00 0.00 C ATOM 1015 OG SER A 59 -3.871 -6.757 -4.700 1.00 0.00 O ATOM 0 H SER A 59 -1.426 -6.411 -1.763 1.00 0.00 H new ATOM 0 HA SER A 59 -2.930 -4.720 -3.559 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.127 -7.238 -3.724 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.598 -7.565 -2.830 1.00 0.00 H new ATOM 0 HG SER A 59 -4.092 -5.818 -4.875 1.00 0.00 H new ATOM 1021 N VAL A 60 -4.991 -4.218 -2.257 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.139 -3.832 -1.447 1.00 0.00 C ATOM 1023 C VAL A 60 -7.362 -3.572 -2.314 1.00 0.00 C ATOM 1024 O VAL A 60 -7.246 -3.196 -3.481 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.863 -2.561 -0.602 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.590 -2.717 0.209 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.787 -1.324 -1.483 1.00 0.00 C ATOM 0 H VAL A 60 -4.849 -3.644 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.326 -4.670 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.696 -2.434 0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.418 -1.813 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.689 -3.570 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.748 -2.880 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.593 -0.448 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.981 -1.442 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.732 -1.194 -2.010 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.529 -3.783 -1.741 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.771 -3.393 -2.379 1.00 0.00 C ATOM 1039 C ASP A 61 -10.069 -1.952 -2.003 1.00 0.00 C ATOM 1040 O ASP A 61 -10.240 -1.635 -0.824 1.00 0.00 O ATOM 1041 CB ASP A 61 -10.920 -4.309 -1.946 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.229 -3.961 -2.625 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.909 -3.021 -2.168 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.590 -4.634 -3.613 1.00 0.00 O ATOM 0 H ASP A 61 -8.644 -4.225 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.671 -3.484 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.661 -5.343 -2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.046 -4.242 -0.865 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.100 -1.077 -2.996 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.263 0.348 -2.739 1.00 0.00 C ATOM 1051 C ALA A 62 -11.721 0.710 -2.472 1.00 0.00 C ATOM 1052 O ALA A 62 -12.029 1.833 -2.080 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.715 1.161 -3.902 1.00 0.00 C ATOM 0 H ALA A 62 -10.015 -1.325 -3.982 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.696 0.590 -1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.844 2.224 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.655 0.942 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.253 0.901 -4.813 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.619 -0.240 -2.699 1.00 0.00 N ATOM 1060 CA GLY A 63 -14.029 -0.004 -2.460 1.00 0.00 C ATOM 1061 C GLY A 63 -14.705 0.660 -3.637 1.00 0.00 C ATOM 1062 O GLY A 63 -15.904 0.492 -3.856 1.00 0.00 O ATOM 0 H GLY A 63 -12.395 -1.173 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.523 -0.952 -2.247 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.146 0.622 -1.576 1.00 0.00 H new ATOM 1066 N ASP A 64 -13.931 1.427 -4.390 1.00 0.00 N ATOM 1067 CA ASP A 64 -14.415 2.050 -5.615 1.00 0.00 C ATOM 1068 C ASP A 64 -14.782 0.980 -6.636 1.00 0.00 C ATOM 1069 O ASP A 64 -15.658 1.173 -7.477 1.00 0.00 O ATOM 1070 CB ASP A 64 -13.342 2.981 -6.182 1.00 0.00 C ATOM 1071 CG ASP A 64 -13.733 3.597 -7.508 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -14.474 4.601 -7.511 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -13.285 3.094 -8.556 1.00 0.00 O ATOM 0 H ASP A 64 -12.956 1.635 -4.172 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.306 2.636 -5.390 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.142 3.776 -5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.414 2.423 -6.307 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.114 -0.157 -6.531 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.355 -1.255 -7.440 1.00 0.00 C ATOM 1080 C GLY A 65 -13.060 -1.854 -7.930 1.00 0.00 C ATOM 1081 O GLY A 65 -12.991 -3.042 -8.245 1.00 0.00 O ATOM 0 H GLY A 65 -13.402 -0.339 -5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.946 -2.022 -6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.941 -0.905 -8.290 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.025 -1.030 -7.969 1.00 0.00 N ATOM 1086 CA GLU A 66 -10.726 -1.463 -8.437 1.00 0.00 C ATOM 1087 C GLU A 66 -9.939 -2.146 -7.335 1.00 0.00 C ATOM 1088 O GLU A 66 -10.128 -1.867 -6.146 1.00 0.00 O ATOM 1089 CB GLU A 66 -9.923 -0.282 -8.972 1.00 0.00 C ATOM 1090 CG GLU A 66 -10.266 0.099 -10.399 1.00 0.00 C ATOM 1091 CD GLU A 66 -9.267 1.072 -10.988 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -9.589 2.276 -11.096 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -8.146 0.643 -11.326 1.00 0.00 O ATOM 0 H GLU A 66 -12.064 -0.053 -7.679 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.896 -2.179 -9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.090 0.580 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.861 -0.522 -8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.301 -0.800 -11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.261 0.543 -10.425 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.048 -3.032 -7.741 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.162 -3.696 -6.817 1.00 0.00 C ATOM 1102 C LYS A 67 -6.793 -3.057 -6.927 1.00 0.00 C ATOM 1103 O LYS A 67 -6.123 -3.162 -7.955 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.090 -5.195 -7.105 1.00 0.00 C ATOM 1105 CG LYS A 67 -9.440 -5.888 -7.021 1.00 0.00 C ATOM 1106 CD LYS A 67 -9.334 -7.368 -7.341 1.00 0.00 C ATOM 1107 CE LYS A 67 -8.576 -8.127 -6.268 1.00 0.00 C ATOM 1108 NZ LYS A 67 -8.389 -9.556 -6.628 1.00 0.00 N ATOM 0 H LYS A 67 -8.922 -3.307 -8.715 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.541 -3.585 -5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.672 -5.347 -8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.405 -5.662 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.852 -5.761 -6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.135 -5.415 -7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.334 -7.789 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.832 -7.497 -8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.603 -7.661 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.117 -8.058 -5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.867 -10.040 -5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.318 -10.007 -6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.851 -9.623 -7.516 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.399 -2.369 -5.884 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.180 -1.597 -5.909 1.00 0.00 C ATOM 1124 C CYS A 68 -4.059 -2.405 -5.317 1.00 0.00 C ATOM 1125 O CYS A 68 -4.281 -3.461 -4.731 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.363 -0.293 -5.136 1.00 0.00 C ATOM 1127 SG CYS A 68 -4.303 1.069 -5.711 1.00 0.00 S ATOM 0 H CYS A 68 -6.908 -2.328 -5.001 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.934 -1.351 -6.942 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.405 0.017 -5.210 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.159 -0.477 -4.081 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.864 -1.914 -5.482 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.695 -2.616 -5.024 1.00 0.00 C ATOM 1134 C LYS A 69 -0.646 -1.605 -4.615 1.00 0.00 C ATOM 1135 O LYS A 69 0.092 -1.085 -5.452 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.171 -3.520 -6.134 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.228 -4.596 -5.650 1.00 0.00 C ATOM 1138 CD LYS A 69 0.241 -5.479 -6.795 1.00 0.00 C ATOM 1139 CE LYS A 69 -0.922 -6.006 -7.627 1.00 0.00 C ATOM 1140 NZ LYS A 69 -1.849 -6.855 -6.835 1.00 0.00 N ATOM 0 H LYS A 69 -2.671 -1.021 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.943 -3.239 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.016 -3.990 -6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.659 -2.908 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.634 -4.136 -5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.727 -5.207 -4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.917 -4.912 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.810 -6.319 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.474 -5.165 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.533 -6.583 -8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.543 -7.297 -7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.308 -7.595 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.346 -6.267 -6.135 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.621 -1.289 -3.335 1.00 0.00 N ATOM 1155 CA PHE A 70 0.324 -0.326 -2.819 1.00 0.00 C ATOM 1156 C PHE A 70 1.712 -0.927 -2.798 1.00 0.00 C ATOM 1157 O PHE A 70 2.117 -1.586 -1.838 1.00 0.00 O ATOM 1158 CB PHE A 70 -0.090 0.165 -1.431 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.279 1.079 -1.469 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -1.111 2.441 -1.657 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.563 0.579 -1.332 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -2.202 3.288 -1.708 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.657 1.422 -1.381 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.476 2.778 -1.569 1.00 0.00 C ATOM 0 H PHE A 70 -1.246 -1.687 -2.635 1.00 0.00 H new ATOM 0 HA PHE A 70 0.333 0.542 -3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.318 -0.694 -0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.749 0.686 -0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.116 2.846 -1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.711 -0.481 -1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.057 4.348 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.654 1.020 -1.272 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.330 3.438 -1.607 1.00 0.00 H new ATOM 1174 N LYS A 71 2.408 -0.745 -3.902 1.00 0.00 N ATOM 1175 CA LYS A 71 3.760 -1.216 -4.035 1.00 0.00 C ATOM 1176 C LYS A 71 4.702 -0.272 -3.323 1.00 0.00 C ATOM 1177 O LYS A 71 5.145 0.746 -3.872 1.00 0.00 O ATOM 1178 CB LYS A 71 4.118 -1.364 -5.505 1.00 0.00 C ATOM 1179 CG LYS A 71 5.581 -1.641 -5.779 1.00 0.00 C ATOM 1180 CD LYS A 71 5.749 -2.061 -7.219 1.00 0.00 C ATOM 1181 CE LYS A 71 7.201 -2.152 -7.628 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.347 -2.803 -8.950 1.00 0.00 N ATOM 0 H LYS A 71 2.048 -0.267 -4.728 1.00 0.00 H new ATOM 0 HA LYS A 71 3.854 -2.198 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.524 -2.174 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.832 -0.451 -6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.176 -0.750 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.945 -2.425 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.271 -3.029 -7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.237 -1.348 -7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.635 -1.153 -7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.758 -2.716 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.354 -2.851 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.954 -3.765 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.835 -2.251 -9.667 1.00 0.00 H new ATOM 1196 N ILE A 72 4.970 -0.598 -2.082 1.00 0.00 N ATOM 1197 CA ILE A 72 5.824 0.212 -1.259 1.00 0.00 C ATOM 1198 C ILE A 72 7.271 -0.133 -1.538 1.00 0.00 C ATOM 1199 O ILE A 72 7.753 -1.204 -1.163 1.00 0.00 O ATOM 1200 CB ILE A 72 5.513 0.030 0.237 1.00 0.00 C ATOM 1201 CG1 ILE A 72 4.050 0.395 0.517 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.447 0.889 1.071 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.606 0.092 1.933 1.00 0.00 C ATOM 0 H ILE A 72 4.602 -1.429 -1.619 1.00 0.00 H new ATOM 0 HA ILE A 72 5.641 1.258 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 72 5.668 -1.014 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.906 1.457 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.410 -0.148 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.219 0.753 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.479 0.594 0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.314 1.937 0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.561 0.377 2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.717 -0.975 2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.220 0.655 2.635 1.00 0.00 H new ATOM 1215 N ARG A 73 7.942 0.757 -2.243 1.00 0.00 N ATOM 1216 CA ARG A 73 9.346 0.586 -2.533 1.00 0.00 C ATOM 1217 C ARG A 73 10.111 0.668 -1.236 1.00 0.00 C ATOM 1218 O ARG A 73 10.000 1.648 -0.496 1.00 0.00 O ATOM 1219 CB ARG A 73 9.823 1.655 -3.510 1.00 0.00 C ATOM 1220 CG ARG A 73 11.192 1.412 -4.117 1.00 0.00 C ATOM 1221 CD ARG A 73 11.322 2.176 -5.421 1.00 0.00 C ATOM 1222 NE ARG A 73 12.688 2.216 -5.934 1.00 0.00 N ATOM 1223 CZ ARG A 73 13.001 2.024 -7.213 1.00 0.00 C ATOM 1224 NH1 ARG A 73 12.068 1.665 -8.084 1.00 0.00 N ATOM 1225 NH2 ARG A 73 14.247 2.189 -7.628 1.00 0.00 N ATOM 0 H ARG A 73 7.532 1.609 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 73 9.515 -0.384 -3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.095 1.737 -4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.837 2.615 -2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.969 1.728 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.337 0.346 -4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.674 1.718 -6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.967 3.196 -5.273 1.00 0.00 H new ATOM 0 HE ARG A 73 13.445 2.401 -5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.105 1.535 -7.775 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.313 1.519 -9.063 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.973 2.465 -6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.482 2.041 -8.610 1.00 0.00 H new ATOM 1239 N LYS A 74 10.827 -0.387 -0.936 1.00 0.00 N ATOM 1240 CA LYS A 74 11.605 -0.442 0.280 1.00 0.00 C ATOM 1241 C LYS A 74 12.717 0.598 0.214 1.00 0.00 C ATOM 1242 O LYS A 74 12.986 1.153 -0.853 1.00 0.00 O ATOM 1243 CB LYS A 74 12.158 -1.856 0.464 1.00 0.00 C ATOM 1244 CG LYS A 74 11.077 -2.918 0.321 1.00 0.00 C ATOM 1245 CD LYS A 74 11.640 -4.325 0.251 1.00 0.00 C ATOM 1246 CE LYS A 74 10.570 -5.310 -0.174 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.136 -6.617 -0.588 1.00 0.00 N ATOM 0 H LYS A 74 10.888 -1.222 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 74 10.981 -0.212 1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.942 -2.036 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.619 -1.939 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.391 -2.848 1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.496 -2.719 -0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.470 -4.355 -0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.039 -4.611 1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.874 -5.464 0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.998 -4.887 -1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.437 -7.133 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.996 -6.460 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.372 -7.176 0.256 1.00 0.00 H new ATOM 1261 N ASP A 75 13.376 0.847 1.335 1.00 0.00 N ATOM 1262 CA ASP A 75 14.419 1.871 1.407 1.00 0.00 C ATOM 1263 C ASP A 75 15.651 1.443 0.597 1.00 0.00 C ATOM 1264 O ASP A 75 16.691 2.100 0.617 1.00 0.00 O ATOM 1265 CB ASP A 75 14.779 2.148 2.876 1.00 0.00 C ATOM 1266 CG ASP A 75 15.812 3.248 3.050 1.00 0.00 C ATOM 1267 OD1 ASP A 75 16.940 2.945 3.488 1.00 0.00 O ATOM 1268 OD2 ASP A 75 15.504 4.423 2.753 1.00 0.00 O ATOM 0 H ASP A 75 13.210 0.355 2.213 1.00 0.00 H new ATOM 0 HA ASP A 75 14.044 2.796 0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.874 2.422 3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.157 1.231 3.328 1.00 0.00 H new ATOM 1273 N VAL A 76 15.503 0.337 -0.141 1.00 0.00 N ATOM 1274 CA VAL A 76 16.530 -0.150 -1.061 1.00 0.00 C ATOM 1275 C VAL A 76 16.916 0.966 -2.020 1.00 0.00 C ATOM 1276 O VAL A 76 18.068 1.106 -2.445 1.00 0.00 O ATOM 1277 CB VAL A 76 16.021 -1.370 -1.873 1.00 0.00 C ATOM 1278 CG1 VAL A 76 14.660 -1.085 -2.499 1.00 0.00 C ATOM 1279 CG2 VAL A 76 17.024 -1.765 -2.950 1.00 0.00 C ATOM 0 H VAL A 76 14.665 -0.245 -0.115 1.00 0.00 H new ATOM 0 HA VAL A 76 17.395 -0.462 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 76 15.911 -2.204 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.328 -1.958 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.937 -0.864 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.740 -0.230 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 76 16.643 -2.623 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 76 17.173 -0.928 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 76 17.974 -2.027 -2.484 1.00 0.00 H new ATOM 1289 N ASP A 77 15.913 1.758 -2.310 1.00 0.00 N ATOM 1290 CA ASP A 77 16.017 2.926 -3.168 1.00 0.00 C ATOM 1291 C ASP A 77 14.783 3.778 -2.966 1.00 0.00 C ATOM 1292 O ASP A 77 13.684 3.312 -3.244 1.00 0.00 O ATOM 1293 CB ASP A 77 16.116 2.534 -4.637 1.00 0.00 C ATOM 1294 CG ASP A 77 16.349 3.735 -5.529 1.00 0.00 C ATOM 1295 OD1 ASP A 77 15.385 4.202 -6.163 1.00 0.00 O ATOM 1296 OD2 ASP A 77 17.499 4.209 -5.603 1.00 0.00 O ATOM 0 H ASP A 77 14.971 1.608 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 77 16.921 3.474 -2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.930 1.821 -4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 77 15.199 2.029 -4.940 1.00 0.00 H new ATOM 1301 N VAL A 78 14.996 5.008 -2.495 1.00 0.00 N ATOM 1302 CA VAL A 78 13.937 5.950 -2.091 1.00 0.00 C ATOM 1303 C VAL A 78 12.984 5.356 -1.048 1.00 0.00 C ATOM 1304 O VAL A 78 12.367 4.307 -1.228 1.00 0.00 O ATOM 1305 CB VAL A 78 13.129 6.570 -3.271 1.00 0.00 C ATOM 1306 CG1 VAL A 78 12.181 5.574 -3.904 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.336 7.780 -2.800 1.00 0.00 C ATOM 0 H VAL A 78 15.934 5.392 -2.379 1.00 0.00 H new ATOM 0 HA VAL A 78 14.488 6.772 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 78 13.858 6.872 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.641 6.054 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.748 4.728 -4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.470 5.223 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.779 8.199 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.641 7.477 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.020 8.532 -2.407 1.00 0.00 H new ATOM 1317 N PRO A 79 12.858 6.061 0.067 1.00 0.00 N ATOM 1318 CA PRO A 79 12.013 5.663 1.185 1.00 0.00 C ATOM 1319 C PRO A 79 10.540 5.973 0.944 1.00 0.00 C ATOM 1320 O PRO A 79 9.854 6.510 1.817 1.00 0.00 O ATOM 1321 CB PRO A 79 12.553 6.528 2.314 1.00 0.00 C ATOM 1322 CG PRO A 79 12.974 7.774 1.639 1.00 0.00 C ATOM 1323 CD PRO A 79 13.541 7.333 0.322 1.00 0.00 C ATOM 0 HA PRO A 79 12.045 4.590 1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.791 6.721 3.069 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.389 6.046 2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.131 8.450 1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.718 8.310 2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.342 8.061 -0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.622 7.205 0.373 1.00 0.00 H new ATOM 1331 N LYS A 80 10.046 5.613 -0.222 1.00 0.00 N ATOM 1332 CA LYS A 80 8.666 5.886 -0.576 1.00 0.00 C ATOM 1333 C LYS A 80 8.112 4.796 -1.468 1.00 0.00 C ATOM 1334 O LYS A 80 8.835 4.210 -2.267 1.00 0.00 O ATOM 1335 CB LYS A 80 8.548 7.227 -1.293 1.00 0.00 C ATOM 1336 CG LYS A 80 7.855 8.307 -0.481 1.00 0.00 C ATOM 1337 CD LYS A 80 7.755 9.592 -1.283 1.00 0.00 C ATOM 1338 CE LYS A 80 9.136 10.112 -1.658 1.00 0.00 C ATOM 1339 NZ LYS A 80 9.080 11.134 -2.734 1.00 0.00 N ATOM 0 H LYS A 80 10.580 5.129 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 80 8.090 5.919 0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.547 7.573 -1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.002 7.081 -2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.858 7.972 -0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.408 8.489 0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.171 9.416 -2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.224 10.346 -0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.612 10.541 -0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.760 9.279 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.043 11.458 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.650 10.719 -3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.507 11.942 -2.416 1.00 0.00 H new ATOM 1353 N MET A 81 6.826 4.533 -1.317 1.00 0.00 N ATOM 1354 CA MET A 81 6.120 3.605 -2.186 1.00 0.00 C ATOM 1355 C MET A 81 6.247 4.047 -3.637 1.00 0.00 C ATOM 1356 O MET A 81 5.678 5.062 -4.041 1.00 0.00 O ATOM 1357 CB MET A 81 4.650 3.515 -1.784 1.00 0.00 C ATOM 1358 CG MET A 81 4.034 4.855 -1.472 1.00 0.00 C ATOM 1359 SD MET A 81 2.248 4.768 -1.346 1.00 0.00 S ATOM 1360 CE MET A 81 1.927 6.490 -1.044 1.00 0.00 C ATOM 0 H MET A 81 6.243 4.953 -0.593 1.00 0.00 H new ATOM 0 HA MET A 81 6.568 2.617 -2.081 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.088 3.044 -2.590 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.558 2.869 -0.911 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.444 5.232 -0.535 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.307 5.568 -2.250 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.909 6.729 -1.350 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.046 6.701 0.019 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.630 7.097 -1.615 1.00 0.00 H new ATOM 1370 N VAL A 82 7.029 3.300 -4.398 1.00 0.00 N ATOM 1371 CA VAL A 82 7.290 3.626 -5.795 1.00 0.00 C ATOM 1372 C VAL A 82 6.005 3.655 -6.620 1.00 0.00 C ATOM 1373 O VAL A 82 5.819 4.535 -7.459 1.00 0.00 O ATOM 1374 CB VAL A 82 8.293 2.632 -6.430 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.762 1.203 -6.394 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.640 3.046 -7.854 1.00 0.00 C ATOM 0 H VAL A 82 7.499 2.456 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 82 7.729 4.624 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 82 9.206 2.660 -5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.492 0.532 -6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.589 0.905 -5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.825 1.149 -6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.346 2.332 -8.279 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.733 3.063 -8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.089 4.039 -7.845 1.00 0.00 H new ATOM 1386 N GLY A 83 5.110 2.714 -6.357 1.00 0.00 N ATOM 1387 CA GLY A 83 3.934 2.594 -7.178 1.00 0.00 C ATOM 1388 C GLY A 83 2.713 2.158 -6.409 1.00 0.00 C ATOM 1389 O GLY A 83 2.453 0.968 -6.259 1.00 0.00 O ATOM 0 H GLY A 83 5.180 2.039 -5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.732 3.554 -7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.128 1.877 -7.976 1.00 0.00 H new ATOM 1393 N ARG A 84 1.962 3.125 -5.920 1.00 0.00 N ATOM 1394 CA ARG A 84 0.653 2.862 -5.337 1.00 0.00 C ATOM 1395 C ARG A 84 -0.347 2.618 -6.470 1.00 0.00 C ATOM 1396 O ARG A 84 -1.357 3.308 -6.609 1.00 0.00 O ATOM 1397 CB ARG A 84 0.225 4.047 -4.477 1.00 0.00 C ATOM 1398 CG ARG A 84 0.306 5.363 -5.220 1.00 0.00 C ATOM 1399 CD ARG A 84 1.368 6.286 -4.641 1.00 0.00 C ATOM 1400 NE ARG A 84 1.617 7.424 -5.523 1.00 0.00 N ATOM 1401 CZ ARG A 84 2.633 8.277 -5.387 1.00 0.00 C ATOM 1402 NH1 ARG A 84 3.434 8.213 -4.328 1.00 0.00 N ATOM 1403 NH2 ARG A 84 2.831 9.211 -6.310 1.00 0.00 N ATOM 0 H ARG A 84 2.235 4.108 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 84 0.692 1.979 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.797 3.891 -4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.857 4.095 -3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.526 5.172 -6.270 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.664 5.859 -5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.048 6.644 -3.663 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.293 5.730 -4.490 1.00 0.00 H new ATOM 0 HE ARG A 84 0.969 7.576 -6.296 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.274 7.507 -3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.208 8.870 -4.234 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.208 9.272 -7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.606 9.867 -6.213 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.036 1.619 -7.268 1.00 0.00 N ATOM 1418 CA LYS A 85 -0.702 1.385 -8.536 1.00 0.00 C ATOM 1419 C LYS A 85 -1.821 0.367 -8.408 1.00 0.00 C ATOM 1420 O LYS A 85 -1.589 -0.785 -8.042 1.00 0.00 O ATOM 1421 CB LYS A 85 0.318 0.904 -9.575 1.00 0.00 C ATOM 1422 CG LYS A 85 1.209 2.000 -10.125 1.00 0.00 C ATOM 1423 CD LYS A 85 0.410 3.110 -10.771 1.00 0.00 C ATOM 1424 CE LYS A 85 1.312 4.039 -11.559 1.00 0.00 C ATOM 1425 NZ LYS A 85 2.406 4.598 -10.723 1.00 0.00 N ATOM 0 H LYS A 85 0.693 0.938 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.145 2.328 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.944 0.134 -9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.216 0.436 -10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.816 2.412 -9.319 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.896 1.575 -10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.345 2.683 -11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.120 3.675 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.741 3.498 -12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.719 4.855 -11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.529 5.607 -10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.165 4.489 -9.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.291 4.090 -10.924 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.034 0.790 -8.711 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.153 -0.129 -8.735 1.00 0.00 C ATOM 1441 C CYS A 86 -4.202 -0.831 -10.073 1.00 0.00 C ATOM 1442 O CYS A 86 -4.259 -0.197 -11.127 1.00 0.00 O ATOM 1443 CB CYS A 86 -5.479 0.579 -8.480 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.386 1.897 -7.220 1.00 0.00 S ATOM 0 H CYS A 86 -3.267 1.756 -8.942 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.005 -0.854 -7.934 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.835 1.010 -9.416 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.218 -0.158 -8.166 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.179 -2.137 -10.013 1.00 0.00 N ATOM 1450 CA ARG A 87 -4.207 -2.973 -11.189 1.00 0.00 C ATOM 1451 C ARG A 87 -5.182 -4.094 -10.914 1.00 0.00 C ATOM 1452 O ARG A 87 -4.852 -5.116 -10.310 1.00 0.00 O ATOM 1453 CB ARG A 87 -2.797 -3.459 -11.540 1.00 0.00 C ATOM 1454 CG ARG A 87 -2.021 -2.438 -12.359 1.00 0.00 C ATOM 1455 CD ARG A 87 -0.615 -2.233 -11.833 1.00 0.00 C ATOM 1456 NE ARG A 87 0.375 -3.099 -12.472 1.00 0.00 N ATOM 1457 CZ ARG A 87 1.564 -2.671 -12.913 1.00 0.00 C ATOM 1458 NH1 ARG A 87 1.852 -1.375 -12.924 1.00 0.00 N ATOM 1459 NH2 ARG A 87 2.449 -3.544 -13.374 1.00 0.00 N ATOM 0 H ARG A 87 -4.140 -2.658 -9.137 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.544 -2.424 -12.068 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.251 -3.676 -10.622 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.865 -4.393 -12.098 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.975 -2.767 -13.397 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.553 -1.487 -12.350 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.327 -1.192 -11.982 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.607 -2.415 -10.758 1.00 0.00 H new ATOM 0 HE ARG A 87 0.146 -4.086 -12.588 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.165 -0.697 -12.595 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.761 -1.057 -13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.223 -4.538 -13.392 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.356 -3.221 -13.711 1.00 0.00 H new ATOM 1473 N LYS A 88 -6.399 -3.842 -11.341 1.00 0.00 N ATOM 1474 CA LYS A 88 -7.572 -4.513 -10.829 1.00 0.00 C ATOM 1475 C LYS A 88 -7.759 -5.899 -11.436 1.00 0.00 C ATOM 1476 O LYS A 88 -7.687 -6.906 -10.728 1.00 0.00 O ATOM 1477 CB LYS A 88 -8.774 -3.610 -11.108 1.00 0.00 C ATOM 1478 CG LYS A 88 -10.111 -4.190 -10.714 1.00 0.00 C ATOM 1479 CD LYS A 88 -11.245 -3.351 -11.276 1.00 0.00 C ATOM 1480 CE LYS A 88 -12.522 -4.155 -11.436 1.00 0.00 C ATOM 1481 NZ LYS A 88 -12.364 -5.243 -12.438 1.00 0.00 N ATOM 0 H LYS A 88 -6.604 -3.154 -12.065 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.461 -4.680 -9.758 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.633 -2.668 -10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.795 -3.377 -12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.192 -5.213 -11.081 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.188 -4.234 -9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.430 -2.504 -10.616 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.950 -2.943 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.805 -4.584 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.333 -3.494 -11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.275 -5.418 -12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.658 -4.962 -13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -12.048 -6.111 -11.961 1.00 0.00 H new ATOM 1495 N ASP A 89 -7.991 -5.953 -12.738 1.00 0.00 N ATOM 1496 CA ASP A 89 -8.253 -7.223 -13.402 1.00 0.00 C ATOM 1497 C ASP A 89 -6.966 -8.009 -13.588 1.00 0.00 C ATOM 1498 O ASP A 89 -6.971 -9.243 -13.563 1.00 0.00 O ATOM 1499 CB ASP A 89 -8.953 -7.000 -14.744 1.00 0.00 C ATOM 1500 CG ASP A 89 -10.376 -6.508 -14.568 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -10.584 -5.280 -14.495 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -11.297 -7.350 -14.486 1.00 0.00 O ATOM 0 H ASP A 89 -8.004 -5.140 -13.353 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.918 -7.808 -12.767 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.389 -6.275 -15.331 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.959 -7.932 -15.309 1.00 0.00 H new ATOM 1507 N ASP A 90 -5.865 -7.292 -13.761 1.00 0.00 N ATOM 1508 CA ASP A 90 -4.548 -7.912 -13.850 1.00 0.00 C ATOM 1509 C ASP A 90 -3.475 -6.856 -13.620 1.00 0.00 C ATOM 1510 O ASP A 90 -3.642 -5.702 -14.014 1.00 0.00 O ATOM 1511 CB ASP A 90 -4.341 -8.571 -15.218 1.00 0.00 C ATOM 1512 CG ASP A 90 -3.316 -9.692 -15.183 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -3.588 -10.763 -15.764 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -2.246 -9.519 -14.563 1.00 0.00 O ATOM 0 H ASP A 90 -5.857 -6.275 -13.843 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.477 -8.686 -13.085 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.293 -8.966 -15.573 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.022 -7.815 -15.936 1.00 0.00 H new ATOM 1519 N ASP A 91 -2.387 -7.244 -12.974 1.00 0.00 N ATOM 1520 CA ASP A 91 -1.289 -6.323 -12.709 1.00 0.00 C ATOM 1521 C ASP A 91 -0.148 -6.543 -13.696 1.00 0.00 C ATOM 1522 O ASP A 91 0.803 -5.760 -13.737 1.00 0.00 O ATOM 1523 CB ASP A 91 -0.783 -6.464 -11.269 1.00 0.00 C ATOM 1524 CG ASP A 91 -0.108 -7.796 -10.990 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -0.699 -8.851 -11.301 1.00 0.00 O ATOM 1526 OD2 ASP A 91 1.008 -7.793 -10.436 1.00 0.00 O ATOM 0 H ASP A 91 -2.239 -8.190 -12.623 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.669 -5.309 -12.838 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.079 -5.658 -11.059 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.622 -6.341 -10.584 1.00 0.00 H new ATOM 1531 N ASP A 92 -0.265 -7.611 -14.481 1.00 0.00 N ATOM 1532 CA ASP A 92 0.664 -7.919 -15.573 1.00 0.00 C ATOM 1533 C ASP A 92 2.064 -8.294 -15.079 1.00 0.00 C ATOM 1534 O ASP A 92 2.423 -9.472 -15.055 1.00 0.00 O ATOM 1535 CB ASP A 92 0.742 -6.750 -16.564 1.00 0.00 C ATOM 1536 CG ASP A 92 1.595 -7.063 -17.775 1.00 0.00 C ATOM 1537 OD1 ASP A 92 2.654 -6.421 -17.949 1.00 0.00 O ATOM 1538 OD2 ASP A 92 1.208 -7.948 -18.566 1.00 0.00 O ATOM 0 H ASP A 92 -1.014 -8.296 -14.379 1.00 0.00 H new ATOM 0 HA ASP A 92 0.264 -8.796 -16.082 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.264 -6.490 -16.892 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.148 -5.875 -16.056 1.00 0.00 H new ATOM 1543 N ASP A 93 2.844 -7.301 -14.679 1.00 0.00 N ATOM 1544 CA ASP A 93 4.252 -7.513 -14.349 1.00 0.00 C ATOM 1545 C ASP A 93 4.707 -6.458 -13.335 1.00 0.00 C ATOM 1546 O ASP A 93 3.881 -5.894 -12.615 1.00 0.00 O ATOM 1547 CB ASP A 93 5.084 -7.431 -15.642 1.00 0.00 C ATOM 1548 CG ASP A 93 6.483 -8.014 -15.519 1.00 0.00 C ATOM 1549 OD1 ASP A 93 7.433 -7.245 -15.254 1.00 0.00 O ATOM 1550 OD2 ASP A 93 6.648 -9.235 -15.719 1.00 0.00 O ATOM 0 H ASP A 93 2.528 -6.337 -14.574 1.00 0.00 H new ATOM 0 HA ASP A 93 4.392 -8.497 -13.901 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.553 -7.954 -16.437 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.163 -6.387 -15.945 1.00 0.00 H new ATOM 1555 N ASP A 94 6.005 -6.189 -13.287 1.00 0.00 N ATOM 1556 CA ASP A 94 6.565 -5.203 -12.367 1.00 0.00 C ATOM 1557 C ASP A 94 6.350 -3.796 -12.929 1.00 0.00 C ATOM 1558 O ASP A 94 5.496 -3.590 -13.797 1.00 0.00 O ATOM 1559 CB ASP A 94 8.066 -5.465 -12.173 1.00 0.00 C ATOM 1560 CG ASP A 94 8.594 -4.967 -10.841 1.00 0.00 C ATOM 1561 OD1 ASP A 94 8.988 -3.783 -10.755 1.00 0.00 O ATOM 1562 OD2 ASP A 94 8.614 -5.756 -9.877 1.00 0.00 O ATOM 0 H ASP A 94 6.698 -6.645 -13.881 1.00 0.00 H new ATOM 0 HA ASP A 94 6.063 -5.285 -11.403 1.00 0.00 H new ATOM 0 HB2 ASP A 94 8.254 -6.536 -12.253 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.619 -4.983 -12.979 1.00 0.00 H new ATOM 1567 N GLY A 95 7.133 -2.838 -12.452 1.00 0.00 N ATOM 1568 CA GLY A 95 7.004 -1.472 -12.919 1.00 0.00 C ATOM 1569 C GLY A 95 5.738 -0.806 -12.419 1.00 0.00 C ATOM 1570 O GLY A 95 4.717 -0.792 -13.110 1.00 0.00 O ATOM 0 H GLY A 95 7.857 -2.983 -11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.869 -0.896 -12.590 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.010 -1.462 -14.009 1.00 0.00 H new ATOM 1574 N TYR A 96 5.801 -0.266 -11.213 1.00 0.00 N ATOM 1575 CA TYR A 96 4.678 0.458 -10.641 1.00 0.00 C ATOM 1576 C TYR A 96 5.082 1.902 -10.416 1.00 0.00 C ATOM 1577 O TYR A 96 6.137 2.124 -9.793 1.00 0.00 O ATOM 1578 CB TYR A 96 4.229 -0.160 -9.317 1.00 0.00 C ATOM 1579 CG TYR A 96 3.438 -1.447 -9.439 1.00 0.00 C ATOM 1580 CD1 TYR A 96 3.959 -2.558 -10.087 1.00 0.00 C ATOM 1581 CD2 TYR A 96 2.171 -1.548 -8.880 1.00 0.00 C ATOM 1582 CE1 TYR A 96 3.239 -3.730 -10.177 1.00 0.00 C ATOM 1583 CE2 TYR A 96 1.441 -2.715 -8.967 1.00 0.00 C ATOM 1584 CZ TYR A 96 1.981 -3.802 -9.619 1.00 0.00 C ATOM 1585 OH TYR A 96 1.260 -4.964 -9.712 1.00 0.00 O ATOM 1586 OXT TYR A 96 4.345 2.806 -10.852 1.00 0.00 O ATOM 0 H TYR A 96 6.622 -0.316 -10.609 1.00 0.00 H new ATOM 0 HA TYR A 96 3.842 0.402 -11.338 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.111 -0.352 -8.707 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.623 0.570 -8.781 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.944 -2.504 -10.528 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.749 -0.696 -8.367 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.659 -4.587 -10.682 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.456 -2.776 -8.528 1.00 0.00 H new ATOM 0 HH TYR A 96 1.826 -5.671 -10.085 1.00 0.00 H new TER 1596 TYR A 96