USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 792 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 87 THR OG1 : rot -170:sc= -0.0728 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 84 SER OG : rot -28:sc= 0.349 USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0.0302 USER MOD Set 3.1: A 79 LYS NZ :NH3+ -171:sc= 1.54 (180deg=0.364) USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= 1.01 USER MOD Set 4.1: A 67 THR OG1 : rot -141:sc= 1.17 USER MOD Set 4.2: A 73 GLN : amide:sc= 0.941 K(o=2.1,f=-1.2) USER MOD Set 5.1: A 44 THR OG1 : rot -120:sc= 0.894 USER MOD Set 5.2: A 46 GLN :FLIP amide:sc= 0 F(o=-0.04,f=0.89) USER MOD Set 5.3: A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -30:sc= -1.68 USER MOD Single : A 22 CYS SG : rot 141:sc= 0.00863 USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0.337 (180deg=0.0568) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.1) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 1.3 (180deg=1.22) USER MOD Single : A 41 GLN : amide:sc= -0.0129 K(o=-0.013,f=-0.66) USER MOD Single : A 43 ASN : amide:sc= -0.345 X(o=-0.34,f=-0.34) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 49 GLN : amide:sc= 0.775 K(o=0.78,f=-0.3) USER MOD Single : A 52 GLN : amide:sc= -2.36! C(o=-2.4!,f=-4.6!) USER MOD Single : A 54 LYS NZ :NH3+ -138:sc= 1.2 (180deg=0.494) USER MOD Single : A 65 THR OG1 : rot -78:sc= -0.396 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00179 USER MOD Single : A 102 SER OG : rot -140:sc= 0 USER MOD Single : A 104 CYS SG : rot 112:sc= 0.725 USER MOD ----------------------------------------------------------------- ATOM 64 N TYR A 6 3.869 5.135 -7.731 1.00 0.00 N ATOM 65 CA TYR A 6 4.015 3.784 -7.378 1.00 0.00 C ATOM 66 C TYR A 6 5.145 3.311 -8.231 1.00 0.00 C ATOM 67 O TYR A 6 5.438 3.948 -9.255 1.00 0.00 O ATOM 68 CB TYR A 6 2.711 2.980 -7.657 1.00 0.00 C ATOM 69 CG TYR A 6 2.220 2.986 -9.101 1.00 0.00 C ATOM 70 CD1 TYR A 6 1.480 4.048 -9.603 1.00 0.00 C ATOM 71 CD2 TYR A 6 2.476 1.913 -9.947 1.00 0.00 C ATOM 72 CE1 TYR A 6 1.018 4.043 -10.901 1.00 0.00 C ATOM 73 CE2 TYR A 6 2.020 1.903 -11.247 1.00 0.00 C ATOM 74 CZ TYR A 6 1.290 2.968 -11.719 1.00 0.00 C ATOM 75 OH TYR A 6 0.828 2.964 -13.016 1.00 0.00 O ATOM 0 HA TYR A 6 4.211 3.647 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.873 1.946 -7.353 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.919 3.378 -7.023 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.263 4.892 -8.965 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.043 1.071 -9.578 1.00 0.00 H new ATOM 0 HE1 TYR A 6 0.445 4.878 -11.276 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.235 1.063 -11.892 1.00 0.00 H new ATOM 0 HH TYR A 6 1.106 2.136 -13.460 1.00 0.00 H new ATOM 85 N LEU A 7 5.802 2.287 -7.831 1.00 0.00 N ATOM 86 CA LEU A 7 6.919 1.779 -8.595 1.00 0.00 C ATOM 87 C LEU A 7 6.399 0.785 -9.602 1.00 0.00 C ATOM 88 O LEU A 7 5.227 0.440 -9.573 1.00 0.00 O ATOM 89 CB LEU A 7 7.939 1.155 -7.666 1.00 0.00 C ATOM 90 CG LEU A 7 8.409 2.065 -6.534 1.00 0.00 C ATOM 91 CD1 LEU A 7 9.173 1.267 -5.510 1.00 0.00 C ATOM 92 CD2 LEU A 7 9.265 3.205 -7.077 1.00 0.00 C ATOM 0 H LEU A 7 5.598 1.769 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 7 7.418 2.588 -9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.511 0.250 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.806 0.849 -8.252 1.00 0.00 H new ATOM 0 HG LEU A 7 7.533 2.501 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.503 1.926 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.528 0.490 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.041 0.806 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.589 3.841 -6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.138 2.795 -7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.680 3.795 -7.783 1.00 0.00 H new ATOM 104 N THR A 8 7.231 0.314 -10.467 1.00 0.00 N ATOM 105 CA THR A 8 6.758 -0.514 -11.527 1.00 0.00 C ATOM 106 C THR A 8 7.438 -1.874 -11.575 1.00 0.00 C ATOM 107 O THR A 8 8.503 -2.091 -10.959 1.00 0.00 O ATOM 108 CB THR A 8 6.875 0.225 -12.875 1.00 0.00 C ATOM 109 OG1 THR A 8 8.214 0.738 -13.048 1.00 0.00 O ATOM 110 CG2 THR A 8 5.878 1.375 -12.928 1.00 0.00 C ATOM 0 H THR A 8 8.236 0.486 -10.463 1.00 0.00 H new ATOM 0 HA THR A 8 5.706 -0.718 -11.327 1.00 0.00 H new ATOM 0 HB THR A 8 6.656 -0.479 -13.678 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.277 1.204 -13.908 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.968 1.891 -13.884 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.866 0.984 -12.821 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.085 2.074 -12.118 1.00 0.00 H new ATOM 118 N VAL A 9 6.801 -2.782 -12.271 1.00 0.00 N ATOM 119 CA VAL A 9 7.282 -4.126 -12.467 1.00 0.00 C ATOM 120 C VAL A 9 8.565 -4.097 -13.290 1.00 0.00 C ATOM 121 O VAL A 9 8.650 -3.379 -14.289 1.00 0.00 O ATOM 122 CB VAL A 9 6.204 -4.974 -13.203 1.00 0.00 C ATOM 123 CG1 VAL A 9 6.717 -6.360 -13.553 1.00 0.00 C ATOM 124 CG2 VAL A 9 4.938 -5.075 -12.362 1.00 0.00 C ATOM 0 H VAL A 9 5.908 -2.601 -12.730 1.00 0.00 H new ATOM 0 HA VAL A 9 7.487 -4.577 -11.496 1.00 0.00 H new ATOM 0 HB VAL A 9 5.970 -4.464 -14.137 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.934 -6.919 -14.065 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.586 -6.272 -14.205 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.999 -6.885 -12.640 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.196 -5.671 -12.892 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.171 -5.550 -11.409 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.540 -4.076 -12.182 1.00 0.00 H new ATOM 134 N GLY A 10 9.555 -4.827 -12.848 1.00 0.00 N ATOM 135 CA GLY A 10 10.778 -4.905 -13.582 1.00 0.00 C ATOM 136 C GLY A 10 11.894 -4.124 -12.946 1.00 0.00 C ATOM 137 O GLY A 10 13.057 -4.338 -13.280 1.00 0.00 O ATOM 0 H GLY A 10 9.533 -5.372 -11.986 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.077 -5.950 -13.670 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.613 -4.534 -14.594 1.00 0.00 H new ATOM 141 N THR A 11 11.553 -3.226 -12.037 1.00 0.00 N ATOM 142 CA THR A 11 12.513 -2.403 -11.367 1.00 0.00 C ATOM 143 C THR A 11 13.415 -3.255 -10.466 1.00 0.00 C ATOM 144 O THR A 11 12.936 -4.109 -9.708 1.00 0.00 O ATOM 145 CB THR A 11 11.779 -1.367 -10.516 1.00 0.00 C ATOM 146 OG1 THR A 11 10.753 -0.754 -11.307 1.00 0.00 O ATOM 147 CG2 THR A 11 12.724 -0.290 -10.034 1.00 0.00 C ATOM 0 H THR A 11 10.589 -3.056 -11.749 1.00 0.00 H new ATOM 0 HA THR A 11 13.133 -1.904 -12.112 1.00 0.00 H new ATOM 0 HB THR A 11 11.352 -1.874 -9.650 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.916 -1.252 -11.200 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.175 0.433 -9.431 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.512 -0.741 -9.431 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.168 0.215 -10.892 1.00 0.00 H new ATOM 155 N ASP A 12 14.683 -3.034 -10.575 1.00 0.00 N ATOM 156 CA ASP A 12 15.666 -3.735 -9.784 1.00 0.00 C ATOM 157 C ASP A 12 16.024 -2.888 -8.608 1.00 0.00 C ATOM 158 O ASP A 12 16.570 -1.787 -8.752 1.00 0.00 O ATOM 159 CB ASP A 12 16.914 -4.075 -10.600 1.00 0.00 C ATOM 160 CG ASP A 12 16.660 -5.121 -11.654 1.00 0.00 C ATOM 161 OD1 ASP A 12 16.256 -4.776 -12.786 1.00 0.00 O ATOM 162 OD2 ASP A 12 16.861 -6.306 -11.389 1.00 0.00 O ATOM 0 H ASP A 12 15.081 -2.354 -11.222 1.00 0.00 H new ATOM 0 HA ASP A 12 15.239 -4.681 -9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 12 17.287 -3.169 -11.077 1.00 0.00 H new ATOM 0 HB3 ASP A 12 17.697 -4.427 -9.928 1.00 0.00 H new ATOM 167 N VAL A 13 15.709 -3.366 -7.454 1.00 0.00 N ATOM 168 CA VAL A 13 15.891 -2.623 -6.245 1.00 0.00 C ATOM 169 C VAL A 13 16.649 -3.445 -5.233 1.00 0.00 C ATOM 170 O VAL A 13 17.063 -4.558 -5.501 1.00 0.00 O ATOM 171 CB VAL A 13 14.526 -2.184 -5.636 1.00 0.00 C ATOM 172 CG1 VAL A 13 13.821 -1.206 -6.551 1.00 0.00 C ATOM 173 CG2 VAL A 13 13.633 -3.391 -5.383 1.00 0.00 C ATOM 0 H VAL A 13 15.312 -4.296 -7.316 1.00 0.00 H new ATOM 0 HA VAL A 13 16.463 -1.729 -6.493 1.00 0.00 H new ATOM 0 HB VAL A 13 14.728 -1.692 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.870 -0.913 -6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.445 -0.323 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.640 -1.677 -7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.686 -3.060 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.447 -3.910 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.126 -4.069 -4.686 1.00 0.00 H new ATOM 183 N SER A 14 16.866 -2.885 -4.101 1.00 0.00 N ATOM 184 CA SER A 14 17.482 -3.582 -3.031 1.00 0.00 C ATOM 185 C SER A 14 16.667 -3.304 -1.801 1.00 0.00 C ATOM 186 O SER A 14 16.235 -2.185 -1.613 1.00 0.00 O ATOM 187 CB SER A 14 18.931 -3.125 -2.867 1.00 0.00 C ATOM 188 OG SER A 14 19.634 -3.241 -4.100 1.00 0.00 O ATOM 0 H SER A 14 16.619 -1.919 -3.887 1.00 0.00 H new ATOM 0 HA SER A 14 17.514 -4.655 -3.220 1.00 0.00 H new ATOM 0 HB2 SER A 14 18.956 -2.091 -2.524 1.00 0.00 H new ATOM 0 HB3 SER A 14 19.424 -3.726 -2.103 1.00 0.00 H new ATOM 0 HG SER A 14 20.560 -2.943 -3.978 1.00 0.00 H new ATOM 194 N ALA A 15 16.412 -4.295 -1.023 1.00 0.00 N ATOM 195 CA ALA A 15 15.628 -4.144 0.164 1.00 0.00 C ATOM 196 C ALA A 15 16.537 -4.235 1.354 1.00 0.00 C ATOM 197 O ALA A 15 17.489 -5.030 1.346 1.00 0.00 O ATOM 198 CB ALA A 15 14.549 -5.216 0.228 1.00 0.00 C ATOM 0 H ALA A 15 16.742 -5.246 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 15 15.132 -3.174 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.961 -5.087 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.897 -5.128 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.015 -6.201 0.234 1.00 0.00 H new ATOM 204 N LYS A 16 16.319 -3.395 2.336 1.00 0.00 N ATOM 205 CA LYS A 16 17.140 -3.439 3.511 1.00 0.00 C ATOM 206 C LYS A 16 16.583 -4.362 4.545 1.00 0.00 C ATOM 207 O LYS A 16 15.399 -4.304 4.889 1.00 0.00 O ATOM 208 CB LYS A 16 17.369 -2.077 4.134 1.00 0.00 C ATOM 209 CG LYS A 16 17.987 -1.076 3.210 1.00 0.00 C ATOM 210 CD LYS A 16 18.583 0.094 3.971 1.00 0.00 C ATOM 211 CE LYS A 16 19.853 -0.328 4.723 1.00 0.00 C ATOM 212 NZ LYS A 16 20.560 0.816 5.327 1.00 0.00 N ATOM 0 H LYS A 16 15.589 -2.683 2.342 1.00 0.00 H new ATOM 0 HA LYS A 16 18.103 -3.817 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 16 16.415 -1.687 4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.010 -2.193 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.764 -1.559 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.234 -0.711 2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.818 0.901 3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.850 0.484 4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.588 -1.041 5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.524 -0.843 4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 21.409 0.477 5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.838 1.485 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.932 1.294 6.004 1.00 0.00 H new ATOM 226 N TYR A 17 17.430 -5.214 5.020 1.00 0.00 N ATOM 227 CA TYR A 17 17.115 -6.110 6.078 1.00 0.00 C ATOM 228 C TYR A 17 18.162 -5.972 7.140 1.00 0.00 C ATOM 229 O TYR A 17 19.321 -6.354 6.924 1.00 0.00 O ATOM 230 CB TYR A 17 17.085 -7.559 5.597 1.00 0.00 C ATOM 231 CG TYR A 17 16.042 -7.855 4.563 1.00 0.00 C ATOM 232 CD1 TYR A 17 14.733 -8.101 4.930 1.00 0.00 C ATOM 233 CD2 TYR A 17 16.366 -7.888 3.219 1.00 0.00 C ATOM 234 CE1 TYR A 17 13.774 -8.373 3.990 1.00 0.00 C ATOM 235 CE2 TYR A 17 15.419 -8.158 2.267 1.00 0.00 C ATOM 236 CZ TYR A 17 14.115 -8.400 2.663 1.00 0.00 C ATOM 237 OH TYR A 17 13.151 -8.670 1.733 1.00 0.00 O ATOM 0 H TYR A 17 18.385 -5.307 4.673 1.00 0.00 H new ATOM 0 HA TYR A 17 16.126 -5.861 6.462 1.00 0.00 H new ATOM 0 HB2 TYR A 17 18.064 -7.812 5.189 1.00 0.00 H new ATOM 0 HB3 TYR A 17 16.920 -8.209 6.456 1.00 0.00 H new ATOM 0 HD1 TYR A 17 14.461 -8.079 5.975 1.00 0.00 H new ATOM 0 HD2 TYR A 17 17.384 -7.697 2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.755 -8.565 4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.686 -8.182 1.221 1.00 0.00 H new ATOM 0 HH TYR A 17 12.472 -9.257 2.127 1.00 0.00 H new ATOM 247 N ARG A 18 17.780 -5.369 8.254 1.00 0.00 N ATOM 248 CA ARG A 18 18.641 -5.220 9.437 1.00 0.00 C ATOM 249 C ARG A 18 19.922 -4.437 9.111 1.00 0.00 C ATOM 250 O ARG A 18 20.976 -4.651 9.710 1.00 0.00 O ATOM 251 CB ARG A 18 18.969 -6.595 10.103 1.00 0.00 C ATOM 252 CG ARG A 18 17.748 -7.368 10.648 1.00 0.00 C ATOM 253 CD ARG A 18 16.916 -8.008 9.537 1.00 0.00 C ATOM 254 NE ARG A 18 15.614 -8.475 10.003 1.00 0.00 N ATOM 255 CZ ARG A 18 14.767 -9.252 9.305 1.00 0.00 C ATOM 256 NH1 ARG A 18 15.132 -9.787 8.139 1.00 0.00 N ATOM 257 NH2 ARG A 18 13.566 -9.503 9.791 1.00 0.00 N ATOM 0 H ARG A 18 16.853 -4.961 8.373 1.00 0.00 H new ATOM 0 HA ARG A 18 18.076 -4.638 10.165 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.480 -7.222 9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.668 -6.427 10.922 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.090 -8.143 11.334 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.119 -6.688 11.223 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.772 -7.284 8.735 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.468 -8.847 9.114 1.00 0.00 H new ATOM 0 HE ARG A 18 15.322 -8.188 10.937 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.064 -9.609 7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.479 -10.374 7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.287 -9.109 10.689 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.917 -10.091 9.268 1.00 0.00 H new ATOM 271 N GLY A 19 19.798 -3.500 8.187 1.00 0.00 N ATOM 272 CA GLY A 19 20.908 -2.647 7.809 1.00 0.00 C ATOM 273 C GLY A 19 21.682 -3.148 6.605 1.00 0.00 C ATOM 274 O GLY A 19 22.597 -2.475 6.131 1.00 0.00 O ATOM 0 H GLY A 19 18.932 -3.311 7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 19 20.530 -1.647 7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 19 21.589 -2.556 8.655 1.00 0.00 H new ATOM 278 N ALA A 20 21.309 -4.288 6.088 1.00 0.00 N ATOM 279 CA ALA A 20 22.009 -4.867 4.959 1.00 0.00 C ATOM 280 C ALA A 20 21.106 -4.878 3.751 1.00 0.00 C ATOM 281 O ALA A 20 19.891 -5.001 3.886 1.00 0.00 O ATOM 282 CB ALA A 20 22.475 -6.275 5.289 1.00 0.00 C ATOM 0 H ALA A 20 20.522 -4.841 6.428 1.00 0.00 H new ATOM 0 HA ALA A 20 22.888 -4.261 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 20 22.999 -6.695 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 20 23.148 -6.244 6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.612 -6.897 5.528 1.00 0.00 H new ATOM 288 N PHE A 21 21.678 -4.739 2.587 1.00 0.00 N ATOM 289 CA PHE A 21 20.908 -4.736 1.364 1.00 0.00 C ATOM 290 C PHE A 21 20.838 -6.127 0.768 1.00 0.00 C ATOM 291 O PHE A 21 21.811 -6.886 0.808 1.00 0.00 O ATOM 292 CB PHE A 21 21.513 -3.799 0.307 1.00 0.00 C ATOM 293 CG PHE A 21 21.537 -2.340 0.655 1.00 0.00 C ATOM 294 CD1 PHE A 21 20.394 -1.574 0.550 1.00 0.00 C ATOM 295 CD2 PHE A 21 22.712 -1.727 1.053 1.00 0.00 C ATOM 296 CE1 PHE A 21 20.418 -0.226 0.839 1.00 0.00 C ATOM 297 CE2 PHE A 21 22.739 -0.381 1.345 1.00 0.00 C ATOM 298 CZ PHE A 21 21.593 0.371 1.238 1.00 0.00 C ATOM 0 H PHE A 21 22.683 -4.625 2.454 1.00 0.00 H new ATOM 0 HA PHE A 21 19.911 -4.384 1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 21 22.535 -4.121 0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 21 20.954 -3.921 -0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.469 -2.036 0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 21 23.617 -2.310 1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.516 0.361 0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 21 23.662 0.084 1.658 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.614 1.426 1.466 1.00 0.00 H new ATOM 308 N CYS A 22 19.690 -6.469 0.289 1.00 0.00 N ATOM 309 CA CYS A 22 19.493 -7.659 -0.494 1.00 0.00 C ATOM 310 C CYS A 22 18.849 -7.208 -1.785 1.00 0.00 C ATOM 311 O CYS A 22 17.859 -6.482 -1.741 1.00 0.00 O ATOM 312 CB CYS A 22 18.590 -8.618 0.269 1.00 0.00 C ATOM 313 SG CYS A 22 19.269 -9.094 1.878 1.00 0.00 S ATOM 0 H CYS A 22 18.840 -5.923 0.429 1.00 0.00 H new ATOM 0 HA CYS A 22 20.427 -8.184 -0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.615 -8.153 0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.429 -9.513 -0.331 1.00 0.00 H new ATOM 0 HG CYS A 22 18.309 -9.159 2.752 1.00 0.00 H new ATOM 319 N GLU A 23 19.385 -7.582 -2.928 1.00 0.00 N ATOM 320 CA GLU A 23 18.845 -7.038 -4.150 1.00 0.00 C ATOM 321 C GLU A 23 17.737 -7.910 -4.679 1.00 0.00 C ATOM 322 O GLU A 23 17.824 -9.148 -4.658 1.00 0.00 O ATOM 323 CB GLU A 23 19.930 -6.747 -5.196 1.00 0.00 C ATOM 324 CG GLU A 23 20.351 -7.909 -6.057 1.00 0.00 C ATOM 325 CD GLU A 23 21.653 -7.636 -6.745 1.00 0.00 C ATOM 326 OE1 GLU A 23 21.772 -6.625 -7.461 1.00 0.00 O ATOM 327 OE2 GLU A 23 22.591 -8.434 -6.584 1.00 0.00 O ATOM 0 H GLU A 23 20.162 -8.234 -3.035 1.00 0.00 H new ATOM 0 HA GLU A 23 18.408 -6.068 -3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 23 19.573 -5.949 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 23 20.811 -6.366 -4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 23 20.443 -8.804 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 23 19.580 -8.111 -6.801 1.00 0.00 H new ATOM 334 N ALA A 24 16.705 -7.281 -5.139 1.00 0.00 N ATOM 335 CA ALA A 24 15.539 -7.962 -5.570 1.00 0.00 C ATOM 336 C ALA A 24 14.876 -7.195 -6.685 1.00 0.00 C ATOM 337 O ALA A 24 14.976 -5.976 -6.762 1.00 0.00 O ATOM 338 CB ALA A 24 14.594 -8.142 -4.406 1.00 0.00 C ATOM 0 H ALA A 24 16.652 -6.266 -5.225 1.00 0.00 H new ATOM 0 HA ALA A 24 15.814 -8.946 -5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.699 -8.666 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.084 -8.724 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 24 14.316 -7.166 -4.009 1.00 0.00 H new ATOM 344 N LYS A 25 14.210 -7.891 -7.532 1.00 0.00 N ATOM 345 CA LYS A 25 13.587 -7.288 -8.679 1.00 0.00 C ATOM 346 C LYS A 25 12.072 -7.289 -8.491 1.00 0.00 C ATOM 347 O LYS A 25 11.504 -8.312 -8.177 1.00 0.00 O ATOM 348 CB LYS A 25 13.962 -8.095 -9.899 1.00 0.00 C ATOM 349 CG LYS A 25 13.603 -7.446 -11.211 1.00 0.00 C ATOM 350 CD LYS A 25 13.757 -8.429 -12.341 1.00 0.00 C ATOM 351 CE LYS A 25 13.719 -7.739 -13.694 1.00 0.00 C ATOM 352 NZ LYS A 25 14.892 -6.859 -13.901 1.00 0.00 N ATOM 0 H LYS A 25 14.074 -8.899 -7.460 1.00 0.00 H new ATOM 0 HA LYS A 25 13.922 -6.258 -8.801 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.036 -8.280 -9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.471 -9.066 -9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.576 -7.081 -11.175 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.243 -6.581 -11.383 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.700 -8.964 -12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.961 -9.172 -12.289 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.685 -8.490 -14.483 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.805 -7.150 -13.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.918 -6.542 -14.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.821 -6.032 -13.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.763 -7.384 -13.683 1.00 0.00 H new ATOM 366 N ILE A 26 11.435 -6.155 -8.667 1.00 0.00 N ATOM 367 CA ILE A 26 9.988 -6.048 -8.469 1.00 0.00 C ATOM 368 C ILE A 26 9.233 -6.868 -9.526 1.00 0.00 C ATOM 369 O ILE A 26 9.357 -6.611 -10.732 1.00 0.00 O ATOM 370 CB ILE A 26 9.479 -4.578 -8.537 1.00 0.00 C ATOM 371 CG1 ILE A 26 10.351 -3.643 -7.680 1.00 0.00 C ATOM 372 CG2 ILE A 26 8.034 -4.521 -8.053 1.00 0.00 C ATOM 373 CD1 ILE A 26 9.909 -2.196 -7.690 1.00 0.00 C ATOM 0 H ILE A 26 11.888 -5.285 -8.948 1.00 0.00 H new ATOM 0 HA ILE A 26 9.792 -6.437 -7.470 1.00 0.00 H new ATOM 0 HB ILE A 26 9.540 -4.241 -9.572 1.00 0.00 H new ATOM 0 HG12 ILE A 26 10.348 -4.004 -6.652 1.00 0.00 H new ATOM 0 HG13 ILE A 26 11.380 -3.699 -8.035 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.675 -3.493 -8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.412 -5.152 -8.689 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.980 -4.878 -7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.577 -1.607 -7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.939 -1.813 -8.710 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.892 -2.124 -7.305 1.00 0.00 H new ATOM 385 N LYS A 27 8.480 -7.844 -9.077 1.00 0.00 N ATOM 386 CA LYS A 27 7.681 -8.661 -9.961 1.00 0.00 C ATOM 387 C LYS A 27 6.262 -8.152 -9.997 1.00 0.00 C ATOM 388 O LYS A 27 5.679 -7.985 -11.049 1.00 0.00 O ATOM 389 CB LYS A 27 7.653 -10.120 -9.512 1.00 0.00 C ATOM 390 CG LYS A 27 6.871 -11.005 -10.469 1.00 0.00 C ATOM 391 CD LYS A 27 6.690 -12.423 -9.965 1.00 0.00 C ATOM 392 CE LYS A 27 5.780 -12.483 -8.754 1.00 0.00 C ATOM 393 NZ LYS A 27 5.511 -13.872 -8.351 1.00 0.00 N ATOM 0 H LYS A 27 8.403 -8.094 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 27 8.136 -8.602 -10.950 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.674 -10.492 -9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.210 -10.183 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.891 -10.561 -10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.385 -11.032 -11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.275 -13.041 -10.761 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.662 -12.844 -9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.240 -11.945 -7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.840 -11.979 -8.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.913 -13.877 -7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.020 -14.368 -9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.409 -14.354 -8.146 1.00 0.00 H new ATOM 407 N THR A 28 5.721 -7.891 -8.857 1.00 0.00 N ATOM 408 CA THR A 28 4.355 -7.486 -8.768 1.00 0.00 C ATOM 409 C THR A 28 4.267 -6.200 -7.982 1.00 0.00 C ATOM 410 O THR A 28 4.981 -6.007 -6.982 1.00 0.00 O ATOM 411 CB THR A 28 3.522 -8.572 -8.067 1.00 0.00 C ATOM 412 OG1 THR A 28 3.817 -9.852 -8.655 1.00 0.00 O ATOM 413 CG2 THR A 28 2.023 -8.304 -8.202 1.00 0.00 C ATOM 0 H THR A 28 6.208 -7.951 -7.963 1.00 0.00 H new ATOM 0 HA THR A 28 3.962 -7.334 -9.773 1.00 0.00 H new ATOM 0 HB THR A 28 3.782 -8.563 -7.008 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.289 -10.546 -8.209 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.465 -9.091 -7.695 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.783 -7.341 -7.751 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.750 -8.288 -9.257 1.00 0.00 H new ATOM 421 N VAL A 29 3.432 -5.333 -8.448 1.00 0.00 N ATOM 422 CA VAL A 29 3.205 -4.058 -7.844 1.00 0.00 C ATOM 423 C VAL A 29 1.769 -3.940 -7.488 1.00 0.00 C ATOM 424 O VAL A 29 0.898 -3.811 -8.352 1.00 0.00 O ATOM 425 CB VAL A 29 3.600 -2.887 -8.762 1.00 0.00 C ATOM 426 CG1 VAL A 29 3.222 -1.553 -8.130 1.00 0.00 C ATOM 427 CG2 VAL A 29 5.070 -2.930 -9.017 1.00 0.00 C ATOM 0 H VAL A 29 2.871 -5.494 -9.284 1.00 0.00 H new ATOM 0 HA VAL A 29 3.834 -3.999 -6.956 1.00 0.00 H new ATOM 0 HB VAL A 29 3.061 -2.983 -9.705 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.511 -0.740 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.145 -1.521 -7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.740 -1.442 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.351 -2.101 -9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.606 -2.847 -8.071 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.328 -3.873 -9.499 1.00 0.00 H new ATOM 437 N LYS A 30 1.509 -4.016 -6.253 1.00 0.00 N ATOM 438 CA LYS A 30 0.176 -3.899 -5.792 1.00 0.00 C ATOM 439 C LYS A 30 -0.033 -2.499 -5.302 1.00 0.00 C ATOM 440 O LYS A 30 0.295 -2.184 -4.162 1.00 0.00 O ATOM 441 CB LYS A 30 -0.122 -4.894 -4.663 1.00 0.00 C ATOM 442 CG LYS A 30 0.092 -6.363 -5.018 1.00 0.00 C ATOM 443 CD LYS A 30 -0.206 -7.261 -3.822 1.00 0.00 C ATOM 444 CE LYS A 30 0.002 -8.732 -4.147 1.00 0.00 C ATOM 445 NZ LYS A 30 -0.246 -9.593 -2.970 1.00 0.00 N ATOM 0 H LYS A 30 2.206 -4.161 -5.523 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.502 -4.126 -6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.508 -4.648 -3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.156 -4.760 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.553 -6.637 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.120 -6.516 -5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.437 -6.980 -2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.235 -7.103 -3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.665 -9.023 -4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.021 -8.886 -4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.094 -10.589 -3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.408 -9.332 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.226 -9.465 -2.647 1.00 0.00 H new ATOM 459 N ARG A 31 -0.466 -1.631 -6.179 1.00 0.00 N ATOM 460 CA ARG A 31 -0.823 -0.307 -5.757 1.00 0.00 C ATOM 461 C ARG A 31 -2.265 -0.360 -5.303 1.00 0.00 C ATOM 462 O ARG A 31 -3.176 -0.563 -6.109 1.00 0.00 O ATOM 463 CB ARG A 31 -0.606 0.772 -6.855 1.00 0.00 C ATOM 464 CG ARG A 31 -1.352 0.565 -8.167 1.00 0.00 C ATOM 465 CD ARG A 31 -1.323 1.836 -9.009 1.00 0.00 C ATOM 466 NE ARG A 31 -2.025 1.683 -10.285 1.00 0.00 N ATOM 467 CZ ARG A 31 -2.627 2.673 -10.979 1.00 0.00 C ATOM 468 NH1 ARG A 31 -2.643 3.927 -10.516 1.00 0.00 N ATOM 469 NH2 ARG A 31 -3.225 2.388 -12.124 1.00 0.00 N ATOM 0 H ARG A 31 -0.578 -1.815 -7.176 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.166 -0.000 -4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.898 1.739 -6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.460 0.827 -7.074 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.899 -0.256 -8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.384 0.281 -7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.776 2.651 -8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.287 2.117 -9.200 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.063 0.746 -10.685 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.196 4.148 -9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.102 4.663 -11.053 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.228 1.430 -12.473 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.683 3.127 -12.658 1.00 0.00 H new ATOM 483 N LEU A 32 -2.476 -0.266 -4.032 1.00 0.00 N ATOM 484 CA LEU A 32 -3.803 -0.393 -3.494 1.00 0.00 C ATOM 485 C LEU A 32 -4.051 0.716 -2.524 1.00 0.00 C ATOM 486 O LEU A 32 -3.244 0.978 -1.639 1.00 0.00 O ATOM 487 CB LEU A 32 -4.057 -1.793 -2.842 1.00 0.00 C ATOM 488 CG LEU A 32 -3.295 -2.172 -1.539 1.00 0.00 C ATOM 489 CD1 LEU A 32 -3.773 -3.513 -1.027 1.00 0.00 C ATOM 490 CD2 LEU A 32 -1.797 -2.230 -1.750 1.00 0.00 C ATOM 0 H LEU A 32 -1.747 -0.101 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.512 -0.317 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.124 -1.869 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.825 -2.551 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.506 -1.392 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.233 -3.768 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.841 -3.462 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.590 -4.277 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.308 -2.498 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.565 -2.978 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.438 -1.255 -2.081 1.00 0.00 H new ATOM 502 N VAL A 33 -5.122 1.382 -2.684 1.00 0.00 N ATOM 503 CA VAL A 33 -5.389 2.480 -1.825 1.00 0.00 C ATOM 504 C VAL A 33 -6.309 2.047 -0.713 1.00 0.00 C ATOM 505 O VAL A 33 -7.416 1.598 -0.962 1.00 0.00 O ATOM 506 CB VAL A 33 -5.923 3.728 -2.605 1.00 0.00 C ATOM 507 CG1 VAL A 33 -7.222 3.457 -3.361 1.00 0.00 C ATOM 508 CG2 VAL A 33 -6.041 4.942 -1.701 1.00 0.00 C ATOM 0 H VAL A 33 -5.830 1.196 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.450 2.804 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.176 3.951 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.537 4.363 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.061 2.660 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.997 3.154 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.415 5.789 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.732 4.723 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.061 5.186 -1.290 1.00 0.00 H new ATOM 518 N LYS A 34 -5.827 2.102 0.509 1.00 0.00 N ATOM 519 CA LYS A 34 -6.643 1.741 1.620 1.00 0.00 C ATOM 520 C LYS A 34 -7.369 2.962 2.078 1.00 0.00 C ATOM 521 O LYS A 34 -6.828 3.830 2.739 1.00 0.00 O ATOM 522 CB LYS A 34 -5.859 1.068 2.755 1.00 0.00 C ATOM 523 CG LYS A 34 -5.140 -0.207 2.316 1.00 0.00 C ATOM 524 CD LYS A 34 -4.580 -1.005 3.494 1.00 0.00 C ATOM 525 CE LYS A 34 -5.695 -1.627 4.334 1.00 0.00 C ATOM 526 NZ LYS A 34 -5.172 -2.453 5.440 1.00 0.00 N ATOM 0 H LYS A 34 -4.878 2.393 0.746 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.358 0.983 1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.127 1.773 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.543 0.830 3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.832 -0.834 1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.326 0.054 1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.923 -1.791 3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.973 -0.352 4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.324 -0.835 4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.329 -2.241 3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.966 -2.853 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.593 -3.225 5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.588 -1.864 6.067 1.00 0.00 H new ATOM 540 N VAL A 35 -8.565 3.021 1.679 1.00 0.00 N ATOM 541 CA VAL A 35 -9.418 4.116 1.886 1.00 0.00 C ATOM 542 C VAL A 35 -10.071 4.009 3.247 1.00 0.00 C ATOM 543 O VAL A 35 -10.483 2.926 3.659 1.00 0.00 O ATOM 544 CB VAL A 35 -10.508 4.112 0.798 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.349 5.344 0.873 1.00 0.00 C ATOM 546 CG2 VAL A 35 -9.900 3.970 -0.588 1.00 0.00 C ATOM 0 H VAL A 35 -9.009 2.260 1.165 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.842 5.040 1.837 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.148 3.249 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.110 5.313 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.832 5.396 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.720 6.223 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.694 3.970 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.224 4.804 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.346 3.033 -0.648 1.00 0.00 H new ATOM 556 N LYS A 36 -10.132 5.117 3.938 1.00 0.00 N ATOM 557 CA LYS A 36 -10.798 5.198 5.193 1.00 0.00 C ATOM 558 C LYS A 36 -12.208 5.606 4.918 1.00 0.00 C ATOM 559 O LYS A 36 -12.474 6.758 4.548 1.00 0.00 O ATOM 560 CB LYS A 36 -10.137 6.217 6.130 1.00 0.00 C ATOM 561 CG LYS A 36 -10.807 6.311 7.494 1.00 0.00 C ATOM 562 CD LYS A 36 -10.071 7.225 8.472 1.00 0.00 C ATOM 563 CE LYS A 36 -8.720 6.655 8.885 1.00 0.00 C ATOM 564 NZ LYS A 36 -8.101 7.443 9.963 1.00 0.00 N ATOM 0 H LYS A 36 -9.712 5.995 3.633 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.748 4.231 5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.090 5.948 6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.155 7.199 5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.826 6.675 7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.878 5.312 7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.926 8.203 8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.686 7.376 9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.846 5.624 9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.055 6.634 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.184 7.024 10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.958 8.421 9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.724 7.442 10.796 1.00 0.00 H new ATOM 578 N VAL A 37 -13.086 4.686 5.029 1.00 0.00 N ATOM 579 CA VAL A 37 -14.463 4.950 4.800 1.00 0.00 C ATOM 580 C VAL A 37 -15.257 4.833 6.063 1.00 0.00 C ATOM 581 O VAL A 37 -15.000 3.968 6.902 1.00 0.00 O ATOM 582 CB VAL A 37 -15.066 4.049 3.699 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.653 4.535 2.336 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.627 2.609 3.884 1.00 0.00 C ATOM 0 H VAL A 37 -12.875 3.721 5.282 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.522 5.979 4.445 1.00 0.00 H new ATOM 0 HB VAL A 37 -16.152 4.098 3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.087 3.889 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -15.007 5.556 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.566 4.513 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -15.063 1.992 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.540 2.550 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.962 2.248 4.856 1.00 0.00 H new ATOM 594 N LEU A 38 -16.213 5.690 6.173 1.00 0.00 N ATOM 595 CA LEU A 38 -17.097 5.759 7.300 1.00 0.00 C ATOM 596 C LEU A 38 -18.467 5.398 6.802 1.00 0.00 C ATOM 597 O LEU A 38 -18.992 6.043 5.892 1.00 0.00 O ATOM 598 CB LEU A 38 -17.044 7.192 7.922 1.00 0.00 C ATOM 599 CG LEU A 38 -17.888 7.518 9.205 1.00 0.00 C ATOM 600 CD1 LEU A 38 -19.397 7.577 8.946 1.00 0.00 C ATOM 601 CD2 LEU A 38 -17.592 6.523 10.307 1.00 0.00 C ATOM 0 H LEU A 38 -16.413 6.390 5.458 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.809 5.068 8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.001 7.406 8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.348 7.895 7.146 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.584 8.517 9.517 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -19.917 7.806 9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.610 8.353 8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.739 6.614 8.567 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.187 6.767 11.187 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.842 5.518 9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.533 6.567 10.562 1.00 0.00 H new ATOM 613 N LEU A 39 -19.005 4.347 7.336 1.00 0.00 N ATOM 614 CA LEU A 39 -20.305 3.871 6.941 1.00 0.00 C ATOM 615 C LEU A 39 -21.394 4.798 7.379 1.00 0.00 C ATOM 616 O LEU A 39 -21.538 5.062 8.551 1.00 0.00 O ATOM 617 CB LEU A 39 -20.576 2.460 7.452 1.00 0.00 C ATOM 618 CG LEU A 39 -19.945 1.309 6.666 1.00 0.00 C ATOM 619 CD1 LEU A 39 -18.427 1.377 6.654 1.00 0.00 C ATOM 620 CD2 LEU A 39 -20.408 0.003 7.231 1.00 0.00 C ATOM 0 H LEU A 39 -18.557 3.788 8.062 1.00 0.00 H new ATOM 0 HA LEU A 39 -20.302 3.841 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -20.227 2.399 8.483 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -21.655 2.307 7.471 1.00 0.00 H new ATOM 0 HG LEU A 39 -20.270 1.398 5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.030 0.538 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -18.108 2.312 6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -18.053 1.330 7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -19.958 -0.816 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -20.110 -0.067 8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -21.494 -0.061 7.158 1.00 0.00 H new ATOM 632 N LYS A 40 -22.173 5.273 6.434 1.00 0.00 N ATOM 633 CA LYS A 40 -23.279 6.181 6.741 1.00 0.00 C ATOM 634 C LYS A 40 -24.358 5.473 7.574 1.00 0.00 C ATOM 635 O LYS A 40 -25.016 6.083 8.410 1.00 0.00 O ATOM 636 CB LYS A 40 -23.902 6.764 5.453 1.00 0.00 C ATOM 637 CG LYS A 40 -24.297 5.705 4.429 1.00 0.00 C ATOM 638 CD LYS A 40 -25.236 6.233 3.349 1.00 0.00 C ATOM 639 CE LYS A 40 -24.664 7.402 2.563 1.00 0.00 C ATOM 640 NZ LYS A 40 -25.551 7.770 1.436 1.00 0.00 N ATOM 0 H LYS A 40 -22.070 5.052 5.444 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.870 7.004 7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -24.784 7.347 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -23.191 7.452 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -23.397 5.311 3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -24.777 4.873 4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -25.474 5.424 2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -26.173 6.542 3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.534 8.260 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -23.677 7.140 2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -25.173 8.612 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -25.600 6.981 0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -26.504 7.976 1.797 1.00 0.00 H new ATOM 654 N GLN A 41 -24.509 4.180 7.355 1.00 0.00 N ATOM 655 CA GLN A 41 -25.536 3.411 8.040 1.00 0.00 C ATOM 656 C GLN A 41 -25.012 2.851 9.353 1.00 0.00 C ATOM 657 O GLN A 41 -25.541 3.134 10.433 1.00 0.00 O ATOM 658 CB GLN A 41 -26.005 2.251 7.159 1.00 0.00 C ATOM 659 CG GLN A 41 -26.430 2.660 5.768 1.00 0.00 C ATOM 660 CD GLN A 41 -27.573 3.658 5.763 1.00 0.00 C ATOM 661 OE1 GLN A 41 -27.358 4.868 5.794 1.00 0.00 O ATOM 662 NE2 GLN A 41 -28.775 3.173 5.709 1.00 0.00 N ATOM 0 H GLN A 41 -23.935 3.639 6.709 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.371 4.081 8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -25.199 1.521 7.080 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -26.841 1.752 7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -25.576 3.092 5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -26.728 1.772 5.210 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -28.917 2.163 5.685 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -29.578 3.801 5.691 1.00 0.00 H new ATOM 671 N ASP A 42 -23.964 2.066 9.244 1.00 0.00 N ATOM 672 CA ASP A 42 -23.401 1.337 10.393 1.00 0.00 C ATOM 673 C ASP A 42 -22.478 2.194 11.229 1.00 0.00 C ATOM 674 O ASP A 42 -22.187 1.847 12.373 1.00 0.00 O ATOM 675 CB ASP A 42 -22.717 0.051 9.918 1.00 0.00 C ATOM 676 CG ASP A 42 -22.325 -0.893 11.035 1.00 0.00 C ATOM 677 OD1 ASP A 42 -23.196 -1.635 11.523 1.00 0.00 O ATOM 678 OD2 ASP A 42 -21.134 -0.949 11.400 1.00 0.00 O ATOM 0 H ASP A 42 -23.469 1.905 8.367 1.00 0.00 H new ATOM 0 HA ASP A 42 -24.227 1.065 11.050 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.386 -0.471 9.234 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.824 0.316 9.351 1.00 0.00 H new ATOM 683 N ASN A 43 -22.008 3.322 10.666 1.00 0.00 N ATOM 684 CA ASN A 43 -21.216 4.300 11.423 1.00 0.00 C ATOM 685 C ASN A 43 -19.778 3.805 11.757 1.00 0.00 C ATOM 686 O ASN A 43 -18.994 4.478 12.427 1.00 0.00 O ATOM 687 CB ASN A 43 -22.059 4.792 12.647 1.00 0.00 C ATOM 688 CG ASN A 43 -21.292 5.435 13.761 1.00 0.00 C ATOM 689 OD1 ASN A 43 -21.045 6.646 13.772 1.00 0.00 O ATOM 690 ND2 ASN A 43 -20.951 4.635 14.720 1.00 0.00 N ATOM 0 H ASN A 43 -22.164 3.576 9.691 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.016 5.170 10.798 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -22.803 5.503 12.287 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -22.604 3.940 13.053 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -20.454 4.997 15.534 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -21.179 3.643 14.662 1.00 0.00 H new ATOM 697 N THR A 44 -19.410 2.679 11.216 1.00 0.00 N ATOM 698 CA THR A 44 -18.092 2.146 11.432 1.00 0.00 C ATOM 699 C THR A 44 -17.117 2.708 10.430 1.00 0.00 C ATOM 700 O THR A 44 -17.516 3.223 9.378 1.00 0.00 O ATOM 701 CB THR A 44 -18.100 0.630 11.347 1.00 0.00 C ATOM 702 OG1 THR A 44 -19.037 0.219 10.339 1.00 0.00 O ATOM 703 CG2 THR A 44 -18.426 0.011 12.690 1.00 0.00 C ATOM 0 H THR A 44 -20.007 2.108 10.618 1.00 0.00 H new ATOM 0 HA THR A 44 -17.776 2.439 12.433 1.00 0.00 H new ATOM 0 HB THR A 44 -17.106 0.280 11.069 1.00 0.00 H new ATOM 0 HG1 THR A 44 -19.724 -0.350 10.744 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.425 -1.075 12.600 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.678 0.315 13.422 1.00 0.00 H new ATOM 0 HG23 THR A 44 -19.410 0.347 13.016 1.00 0.00 H new ATOM 711 N THR A 45 -15.862 2.642 10.744 1.00 0.00 N ATOM 712 CA THR A 45 -14.857 3.131 9.864 1.00 0.00 C ATOM 713 C THR A 45 -13.943 1.978 9.490 1.00 0.00 C ATOM 714 O THR A 45 -13.636 1.112 10.318 1.00 0.00 O ATOM 715 CB THR A 45 -14.040 4.225 10.533 1.00 0.00 C ATOM 716 OG1 THR A 45 -14.912 5.042 11.315 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.368 5.103 9.500 1.00 0.00 C ATOM 0 H THR A 45 -15.509 2.248 11.616 1.00 0.00 H new ATOM 0 HA THR A 45 -15.330 3.550 8.976 1.00 0.00 H new ATOM 0 HB THR A 45 -13.278 3.756 11.156 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.393 5.750 11.752 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.789 5.878 10.002 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.704 4.497 8.884 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.126 5.567 8.869 1.00 0.00 H new ATOM 725 N GLN A 46 -13.558 1.953 8.268 1.00 0.00 N ATOM 726 CA GLN A 46 -12.694 0.921 7.731 1.00 0.00 C ATOM 727 C GLN A 46 -11.599 1.532 6.902 1.00 0.00 C ATOM 728 O GLN A 46 -11.827 2.524 6.227 1.00 0.00 O ATOM 729 CB GLN A 46 -13.462 -0.060 6.813 1.00 0.00 C ATOM 730 CG GLN A 46 -14.007 -1.337 7.453 1.00 0.00 C ATOM 731 CD GLN A 46 -15.175 -1.161 8.407 1.00 0.00 C ATOM 732 OE1 GLN A 46 -16.020 -0.195 8.165 1.00 0.00 O flip ATOM 733 NE2 GLN A 46 -15.328 -1.931 9.344 1.00 0.00 N flip ATOM 0 H GLN A 46 -13.831 2.657 7.582 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.290 0.384 8.589 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.299 0.479 6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.799 -0.348 5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.314 -2.016 6.657 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.194 -1.824 7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.651 -2.676 9.508 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.133 -1.829 9.962 1.00 0.00 H new ATOM 742 N LEU A 47 -10.425 0.963 6.987 1.00 0.00 N ATOM 743 CA LEU A 47 -9.355 1.261 6.083 1.00 0.00 C ATOM 744 C LEU A 47 -9.209 0.056 5.193 1.00 0.00 C ATOM 745 O LEU A 47 -8.648 -0.974 5.606 1.00 0.00 O ATOM 746 CB LEU A 47 -8.040 1.528 6.829 1.00 0.00 C ATOM 747 CG LEU A 47 -7.834 2.934 7.414 1.00 0.00 C ATOM 748 CD1 LEU A 47 -6.626 2.940 8.331 1.00 0.00 C ATOM 749 CD2 LEU A 47 -7.608 3.941 6.293 1.00 0.00 C ATOM 0 H LEU A 47 -10.186 0.271 7.697 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.578 2.164 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.963 0.809 7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.217 1.323 6.145 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.726 3.209 7.977 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.486 3.940 8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.783 2.232 9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.739 2.653 7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.463 4.934 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.723 3.658 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.476 3.952 5.634 1.00 0.00 H new ATOM 761 N VAL A 48 -9.731 0.152 4.009 1.00 0.00 N ATOM 762 CA VAL A 48 -9.746 -0.960 3.085 1.00 0.00 C ATOM 763 C VAL A 48 -9.349 -0.541 1.708 1.00 0.00 C ATOM 764 O VAL A 48 -9.580 0.582 1.294 1.00 0.00 O ATOM 765 CB VAL A 48 -11.109 -1.691 3.033 1.00 0.00 C ATOM 766 CG1 VAL A 48 -11.308 -2.547 4.266 1.00 0.00 C ATOM 767 CG2 VAL A 48 -12.241 -0.692 2.896 1.00 0.00 C ATOM 0 H VAL A 48 -10.162 1.003 3.647 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.009 -1.664 3.471 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.112 -2.343 2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.273 -3.051 4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.513 -3.290 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.282 -1.917 5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.192 -1.223 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.234 -0.015 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.111 -0.119 1.978 1.00 0.00 H new ATOM 777 N GLN A 49 -8.760 -1.450 1.019 1.00 0.00 N ATOM 778 CA GLN A 49 -8.232 -1.217 -0.308 1.00 0.00 C ATOM 779 C GLN A 49 -9.355 -1.019 -1.328 1.00 0.00 C ATOM 780 O GLN A 49 -10.493 -1.450 -1.107 1.00 0.00 O ATOM 781 CB GLN A 49 -7.336 -2.382 -0.696 1.00 0.00 C ATOM 782 CG GLN A 49 -8.072 -3.696 -0.777 1.00 0.00 C ATOM 783 CD GLN A 49 -7.160 -4.891 -0.730 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.859 -5.398 0.348 1.00 0.00 O ATOM 785 NE2 GLN A 49 -6.725 -5.359 -1.858 1.00 0.00 N ATOM 0 H GLN A 49 -8.620 -2.403 1.355 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.645 -0.298 -0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.874 -2.171 -1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.529 -2.469 0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.783 -3.758 0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.650 -3.725 -1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.996 -4.912 -2.734 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.112 -6.174 -1.870 1.00 0.00 H new ATOM 794 N ASP A 50 -9.014 -0.424 -2.463 1.00 0.00 N ATOM 795 CA ASP A 50 -9.978 -0.113 -3.551 1.00 0.00 C ATOM 796 C ASP A 50 -10.602 -1.376 -4.163 1.00 0.00 C ATOM 797 O ASP A 50 -11.504 -1.298 -4.975 1.00 0.00 O ATOM 798 CB ASP A 50 -9.322 0.723 -4.656 1.00 0.00 C ATOM 799 CG ASP A 50 -8.268 -0.036 -5.429 1.00 0.00 C ATOM 800 OD1 ASP A 50 -7.153 -0.261 -4.881 1.00 0.00 O ATOM 801 OD2 ASP A 50 -8.524 -0.411 -6.595 1.00 0.00 O ATOM 0 H ASP A 50 -8.058 -0.135 -2.672 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.777 0.467 -3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.091 1.069 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.870 1.610 -4.212 1.00 0.00 H new ATOM 806 N ASP A 51 -10.110 -2.526 -3.765 1.00 0.00 N ATOM 807 CA ASP A 51 -10.690 -3.813 -4.186 1.00 0.00 C ATOM 808 C ASP A 51 -11.993 -4.021 -3.454 1.00 0.00 C ATOM 809 O ASP A 51 -12.957 -4.558 -3.995 1.00 0.00 O ATOM 810 CB ASP A 51 -9.769 -5.012 -3.864 1.00 0.00 C ATOM 811 CG ASP A 51 -8.476 -5.044 -4.637 1.00 0.00 C ATOM 812 OD1 ASP A 51 -7.512 -4.361 -4.237 1.00 0.00 O ATOM 813 OD2 ASP A 51 -8.380 -5.800 -5.638 1.00 0.00 O ATOM 0 H ASP A 51 -9.304 -2.613 -3.146 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.829 -3.769 -5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.538 -4.999 -2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.316 -5.934 -4.060 1.00 0.00 H new ATOM 818 N GLN A 52 -12.017 -3.551 -2.228 1.00 0.00 N ATOM 819 CA GLN A 52 -13.151 -3.702 -1.347 1.00 0.00 C ATOM 820 C GLN A 52 -14.126 -2.565 -1.594 1.00 0.00 C ATOM 821 O GLN A 52 -15.329 -2.711 -1.422 1.00 0.00 O ATOM 822 CB GLN A 52 -12.670 -3.639 0.106 1.00 0.00 C ATOM 823 CG GLN A 52 -11.580 -4.644 0.462 1.00 0.00 C ATOM 824 CD GLN A 52 -12.050 -6.077 0.426 1.00 0.00 C ATOM 825 OE1 GLN A 52 -12.519 -6.597 1.422 1.00 0.00 O ATOM 826 NE2 GLN A 52 -11.924 -6.727 -0.702 1.00 0.00 N ATOM 0 H GLN A 52 -11.237 -3.045 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.639 -4.658 -1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.298 -2.634 0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.524 -3.801 0.764 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.747 -4.525 -0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.200 -4.419 1.459 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.527 -6.261 -1.518 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.223 -7.700 -0.766 1.00 0.00 H new ATOM 835 N VAL A 53 -13.584 -1.446 -2.015 1.00 0.00 N ATOM 836 CA VAL A 53 -14.361 -0.242 -2.236 1.00 0.00 C ATOM 837 C VAL A 53 -14.863 -0.161 -3.659 1.00 0.00 C ATOM 838 O VAL A 53 -14.094 -0.181 -4.616 1.00 0.00 O ATOM 839 CB VAL A 53 -13.558 1.038 -1.885 1.00 0.00 C ATOM 840 CG1 VAL A 53 -14.380 2.296 -2.144 1.00 0.00 C ATOM 841 CG2 VAL A 53 -13.136 0.995 -0.443 1.00 0.00 C ATOM 0 H VAL A 53 -12.589 -1.342 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.219 -0.299 -1.566 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.676 1.071 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.789 3.176 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.657 2.339 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.282 2.274 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.572 1.896 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.019 0.938 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.510 0.119 -0.273 1.00 0.00 H new ATOM 851 N LYS A 54 -16.144 -0.081 -3.785 1.00 0.00 N ATOM 852 CA LYS A 54 -16.784 0.044 -5.058 1.00 0.00 C ATOM 853 C LYS A 54 -17.262 1.476 -5.192 1.00 0.00 C ATOM 854 O LYS A 54 -18.170 1.908 -4.456 1.00 0.00 O ATOM 855 CB LYS A 54 -17.989 -0.919 -5.172 1.00 0.00 C ATOM 856 CG LYS A 54 -17.696 -2.376 -4.799 1.00 0.00 C ATOM 857 CD LYS A 54 -16.527 -2.946 -5.583 1.00 0.00 C ATOM 858 CE LYS A 54 -16.273 -4.397 -5.210 1.00 0.00 C ATOM 859 NZ LYS A 54 -15.046 -4.938 -5.834 1.00 0.00 N ATOM 0 H LYS A 54 -16.790 -0.101 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.080 -0.212 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.790 -0.551 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.361 -0.890 -6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.481 -2.440 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.584 -2.982 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.731 -2.872 -6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.632 -2.355 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.192 -4.481 -4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.128 -5.001 -5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.228 -5.902 -6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.766 -4.332 -6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.280 -4.960 -5.131 1.00 0.00 H new ATOM 873 N GLY A 55 -16.614 2.226 -6.044 1.00 0.00 N ATOM 874 CA GLY A 55 -17.018 3.578 -6.277 1.00 0.00 C ATOM 875 C GLY A 55 -15.829 4.512 -6.420 1.00 0.00 C ATOM 876 O GLY A 55 -14.679 4.048 -6.472 1.00 0.00 O ATOM 0 H GLY A 55 -15.806 1.920 -6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.625 3.624 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.647 3.915 -5.453 1.00 0.00 H new ATOM 880 N PRO A 56 -16.072 5.830 -6.515 1.00 0.00 N ATOM 881 CA PRO A 56 -15.004 6.840 -6.641 1.00 0.00 C ATOM 882 C PRO A 56 -14.157 6.966 -5.381 1.00 0.00 C ATOM 883 O PRO A 56 -14.674 6.990 -4.266 1.00 0.00 O ATOM 884 CB PRO A 56 -15.759 8.143 -6.845 1.00 0.00 C ATOM 885 CG PRO A 56 -17.115 7.899 -6.274 1.00 0.00 C ATOM 886 CD PRO A 56 -17.413 6.450 -6.530 1.00 0.00 C ATOM 0 HA PRO A 56 -14.317 6.576 -7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.261 8.970 -6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.817 8.404 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.135 8.120 -5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.859 8.540 -6.746 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -18.061 6.029 -5.762 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.915 6.304 -7.486 1.00 0.00 H new ATOM 894 N LEU A 57 -12.882 7.104 -5.548 1.00 0.00 N ATOM 895 CA LEU A 57 -12.021 7.214 -4.406 1.00 0.00 C ATOM 896 C LEU A 57 -11.741 8.686 -4.142 1.00 0.00 C ATOM 897 O LEU A 57 -10.742 9.235 -4.592 1.00 0.00 O ATOM 898 CB LEU A 57 -10.694 6.426 -4.596 1.00 0.00 C ATOM 899 CG LEU A 57 -10.783 4.913 -4.932 1.00 0.00 C ATOM 900 CD1 LEU A 57 -11.770 4.191 -4.034 1.00 0.00 C ATOM 901 CD2 LEU A 57 -11.081 4.662 -6.408 1.00 0.00 C ATOM 0 H LEU A 57 -12.413 7.143 -6.453 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.525 6.771 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.129 6.911 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.110 6.531 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.796 4.495 -4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.801 3.135 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.457 4.292 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.761 4.627 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.133 3.589 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.034 5.122 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.289 5.096 -7.018 1.00 0.00 H new ATOM 913 N ARG A 58 -12.668 9.329 -3.484 1.00 0.00 N ATOM 914 CA ARG A 58 -12.554 10.745 -3.167 1.00 0.00 C ATOM 915 C ARG A 58 -13.091 11.004 -1.783 1.00 0.00 C ATOM 916 O ARG A 58 -14.119 10.444 -1.427 1.00 0.00 O ATOM 917 CB ARG A 58 -13.316 11.583 -4.197 1.00 0.00 C ATOM 918 CG ARG A 58 -13.173 13.083 -4.008 1.00 0.00 C ATOM 919 CD ARG A 58 -14.119 13.848 -4.907 1.00 0.00 C ATOM 920 NE ARG A 58 -15.525 13.543 -4.595 1.00 0.00 N ATOM 921 CZ ARG A 58 -16.367 14.364 -3.945 1.00 0.00 C ATOM 922 NH1 ARG A 58 -15.948 15.553 -3.516 1.00 0.00 N ATOM 923 NH2 ARG A 58 -17.632 13.995 -3.734 1.00 0.00 N ATOM 0 H ARG A 58 -13.528 8.894 -3.148 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.503 11.031 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.965 11.319 -5.195 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.373 11.322 -4.151 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.371 13.340 -2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.146 13.381 -4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.944 14.918 -4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.914 13.599 -5.948 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.888 12.638 -4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.984 15.844 -3.680 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.591 16.173 -3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.961 13.089 -4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.270 14.619 -3.240 1.00 0.00 H new ATOM 937 N VAL A 59 -12.423 11.841 -1.003 1.00 0.00 N ATOM 938 CA VAL A 59 -12.913 12.167 0.326 1.00 0.00 C ATOM 939 C VAL A 59 -14.239 12.884 0.193 1.00 0.00 C ATOM 940 O VAL A 59 -14.351 13.875 -0.531 1.00 0.00 O ATOM 941 CB VAL A 59 -11.930 13.045 1.146 1.00 0.00 C ATOM 942 CG1 VAL A 59 -12.466 13.283 2.551 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.566 12.402 1.223 1.00 0.00 C ATOM 0 H VAL A 59 -11.551 12.301 -1.264 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.021 11.229 0.871 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.836 14.003 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.762 13.900 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.428 13.792 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.592 12.327 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.896 13.037 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.650 11.428 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.166 12.276 0.217 1.00 0.00 H new ATOM 953 N GLY A 60 -15.233 12.358 0.844 1.00 0.00 N ATOM 954 CA GLY A 60 -16.544 12.915 0.763 1.00 0.00 C ATOM 955 C GLY A 60 -17.365 12.294 -0.344 1.00 0.00 C ATOM 956 O GLY A 60 -18.447 12.794 -0.663 1.00 0.00 O ATOM 0 H GLY A 60 -15.156 11.535 1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.056 12.773 1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.470 13.990 0.598 1.00 0.00 H new ATOM 960 N ALA A 61 -16.863 11.221 -0.957 1.00 0.00 N ATOM 961 CA ALA A 61 -17.627 10.572 -2.007 1.00 0.00 C ATOM 962 C ALA A 61 -18.393 9.388 -1.464 1.00 0.00 C ATOM 963 O ALA A 61 -17.989 8.783 -0.458 1.00 0.00 O ATOM 964 CB ALA A 61 -16.762 10.179 -3.191 1.00 0.00 C ATOM 0 H ALA A 61 -15.958 10.798 -0.749 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.348 11.301 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.380 9.697 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.297 11.070 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.987 9.487 -2.862 1.00 0.00 H new ATOM 970 N ILE A 62 -19.487 9.068 -2.113 1.00 0.00 N ATOM 971 CA ILE A 62 -20.347 7.980 -1.682 1.00 0.00 C ATOM 972 C ILE A 62 -19.881 6.683 -2.352 1.00 0.00 C ATOM 973 O ILE A 62 -19.882 6.594 -3.591 1.00 0.00 O ATOM 974 CB ILE A 62 -21.824 8.212 -2.120 1.00 0.00 C ATOM 975 CG1 ILE A 62 -22.280 9.688 -1.947 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.745 7.278 -1.348 1.00 0.00 C ATOM 977 CD1 ILE A 62 -22.222 10.238 -0.538 1.00 0.00 C ATOM 0 H ILE A 62 -19.810 9.549 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 62 -20.292 7.925 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 62 -21.883 7.991 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.661 10.316 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -23.304 9.776 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.776 7.445 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -22.468 6.244 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.651 7.475 -0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -22.562 11.274 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -22.865 9.644 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -21.196 10.193 -0.172 1.00 0.00 H new ATOM 989 N VAL A 63 -19.490 5.702 -1.575 1.00 0.00 N ATOM 990 CA VAL A 63 -19.048 4.422 -2.113 1.00 0.00 C ATOM 991 C VAL A 63 -19.666 3.282 -1.354 1.00 0.00 C ATOM 992 O VAL A 63 -20.358 3.484 -0.365 1.00 0.00 O ATOM 993 CB VAL A 63 -17.512 4.245 -2.058 1.00 0.00 C ATOM 994 CG1 VAL A 63 -16.825 5.239 -2.949 1.00 0.00 C ATOM 995 CG2 VAL A 63 -16.999 4.355 -0.623 1.00 0.00 C ATOM 0 H VAL A 63 -19.466 5.760 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.367 4.416 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.277 3.245 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.746 5.094 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -17.157 5.096 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -17.072 6.250 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.917 4.227 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.252 5.336 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.462 3.581 -0.011 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.419 2.103 -1.812 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.862 0.914 -1.150 1.00 0.00 C ATOM 1007 C GLU A 64 -18.678 0.042 -0.941 1.00 0.00 C ATOM 1008 O GLU A 64 -17.938 -0.209 -1.865 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.913 0.220 -1.976 1.00 0.00 C ATOM 1010 CG GLU A 64 -22.167 1.058 -2.116 1.00 0.00 C ATOM 1011 CD GLU A 64 -23.218 0.402 -2.928 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -23.718 -0.655 -2.515 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -23.609 0.953 -3.972 1.00 0.00 O ATOM 0 H GLU A 64 -18.896 1.930 -2.670 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.314 1.154 -0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.511 0.001 -2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -21.164 -0.735 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.565 1.274 -1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -21.909 2.014 -2.571 1.00 0.00 H new ATOM 1020 N THR A 65 -18.470 -0.398 0.240 1.00 0.00 N ATOM 1021 CA THR A 65 -17.288 -1.128 0.513 1.00 0.00 C ATOM 1022 C THR A 65 -17.594 -2.385 1.240 1.00 0.00 C ATOM 1023 O THR A 65 -18.650 -2.519 1.861 1.00 0.00 O ATOM 1024 CB THR A 65 -16.304 -0.284 1.361 1.00 0.00 C ATOM 1025 OG1 THR A 65 -15.062 -0.977 1.537 1.00 0.00 O ATOM 1026 CG2 THR A 65 -16.904 0.054 2.726 1.00 0.00 C ATOM 0 H THR A 65 -19.098 -0.268 1.033 1.00 0.00 H new ATOM 0 HA THR A 65 -16.828 -1.370 -0.445 1.00 0.00 H new ATOM 0 HB THR A 65 -16.119 0.645 0.822 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.165 -1.662 2.230 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.192 0.647 3.300 1.00 0.00 H new ATOM 0 HG22 THR A 65 -17.823 0.624 2.588 1.00 0.00 H new ATOM 0 HG23 THR A 65 -17.126 -0.868 3.264 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.691 -3.303 1.142 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.754 -4.471 1.937 1.00 0.00 C ATOM 1036 C ARG A 66 -16.157 -4.082 3.256 1.00 0.00 C ATOM 1037 O ARG A 66 -15.091 -3.452 3.296 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.957 -5.638 1.338 1.00 0.00 C ATOM 1039 CG ARG A 66 -16.107 -6.909 2.157 1.00 0.00 C ATOM 1040 CD ARG A 66 -15.212 -8.045 1.695 1.00 0.00 C ATOM 1041 NE ARG A 66 -15.467 -8.477 0.317 1.00 0.00 N ATOM 1042 CZ ARG A 66 -16.079 -9.621 -0.014 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -16.776 -10.307 0.904 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -16.044 -10.039 -1.269 1.00 0.00 N ATOM 0 H ARG A 66 -15.893 -3.260 0.509 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.784 -4.819 2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.295 -5.822 0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.903 -5.366 1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.885 -6.686 3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.146 -7.237 2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.171 -7.733 1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.346 -8.896 2.363 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.158 -7.866 -0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.842 -9.958 1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.240 -11.178 0.646 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.553 -9.491 -1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.508 -10.909 -1.530 1.00 0.00 H new ATOM 1058 N THR A 67 -16.842 -4.348 4.299 1.00 0.00 N ATOM 1059 CA THR A 67 -16.332 -4.041 5.595 1.00 0.00 C ATOM 1060 C THR A 67 -15.445 -5.159 6.084 1.00 0.00 C ATOM 1061 O THR A 67 -15.313 -6.198 5.415 1.00 0.00 O ATOM 1062 CB THR A 67 -17.469 -3.799 6.588 1.00 0.00 C ATOM 1063 OG1 THR A 67 -18.396 -4.901 6.555 1.00 0.00 O ATOM 1064 CG2 THR A 67 -18.179 -2.517 6.257 1.00 0.00 C ATOM 0 H THR A 67 -17.765 -4.781 4.290 1.00 0.00 H new ATOM 0 HA THR A 67 -15.744 -3.126 5.521 1.00 0.00 H new ATOM 0 HB THR A 67 -17.050 -3.720 7.591 1.00 0.00 H new ATOM 0 HG1 THR A 67 -19.311 -4.561 6.638 1.00 0.00 H new ATOM 0 HG21 THR A 67 -18.987 -2.354 6.970 1.00 0.00 H new ATOM 0 HG22 THR A 67 -17.475 -1.687 6.310 1.00 0.00 H new ATOM 0 HG23 THR A 67 -18.591 -2.579 5.250 1.00 0.00 H new ATOM 1072 N SER A 68 -14.853 -4.974 7.247 1.00 0.00 N ATOM 1073 CA SER A 68 -14.034 -5.991 7.850 1.00 0.00 C ATOM 1074 C SER A 68 -14.892 -7.196 8.232 1.00 0.00 C ATOM 1075 O SER A 68 -14.392 -8.309 8.375 1.00 0.00 O ATOM 1076 CB SER A 68 -13.356 -5.411 9.073 1.00 0.00 C ATOM 1077 OG SER A 68 -12.611 -4.256 8.713 1.00 0.00 O ATOM 0 H SER A 68 -14.929 -4.116 7.794 1.00 0.00 H new ATOM 0 HA SER A 68 -13.276 -6.325 7.142 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.102 -5.153 9.825 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.696 -6.155 9.520 1.00 0.00 H new ATOM 0 HG SER A 68 -12.177 -3.885 9.510 1.00 0.00 H new ATOM 1083 N ASP A 69 -16.197 -6.964 8.340 1.00 0.00 N ATOM 1084 CA ASP A 69 -17.135 -8.006 8.690 1.00 0.00 C ATOM 1085 C ASP A 69 -17.367 -8.917 7.491 1.00 0.00 C ATOM 1086 O ASP A 69 -17.685 -10.093 7.635 1.00 0.00 O ATOM 1087 CB ASP A 69 -18.452 -7.401 9.156 1.00 0.00 C ATOM 1088 CG ASP A 69 -19.366 -8.431 9.759 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -19.059 -8.898 10.888 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -20.403 -8.767 9.151 1.00 0.00 O ATOM 0 H ASP A 69 -16.624 -6.051 8.187 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.719 -8.595 9.508 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -18.252 -6.620 9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.950 -6.925 8.312 1.00 0.00 H new ATOM 1095 N GLY A 70 -17.160 -8.376 6.298 1.00 0.00 N ATOM 1096 CA GLY A 70 -17.277 -9.168 5.096 1.00 0.00 C ATOM 1097 C GLY A 70 -18.400 -8.732 4.190 1.00 0.00 C ATOM 1098 O GLY A 70 -18.407 -9.063 3.009 1.00 0.00 O ATOM 0 H GLY A 70 -16.912 -7.399 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.338 -9.118 4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.429 -10.211 5.372 1.00 0.00 H new ATOM 1102 N SER A 71 -19.316 -7.973 4.719 1.00 0.00 N ATOM 1103 CA SER A 71 -20.460 -7.526 3.960 1.00 0.00 C ATOM 1104 C SER A 71 -20.180 -6.193 3.259 1.00 0.00 C ATOM 1105 O SER A 71 -19.338 -5.411 3.708 1.00 0.00 O ATOM 1106 CB SER A 71 -21.656 -7.387 4.899 1.00 0.00 C ATOM 1107 OG SER A 71 -21.891 -8.611 5.591 1.00 0.00 O ATOM 0 H SER A 71 -19.296 -7.645 5.685 1.00 0.00 H new ATOM 0 HA SER A 71 -20.677 -8.263 3.187 1.00 0.00 H new ATOM 0 HB2 SER A 71 -21.472 -6.586 5.616 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.543 -7.108 4.330 1.00 0.00 H new ATOM 0 HG SER A 71 -22.659 -8.506 6.190 1.00 0.00 H new ATOM 1113 N PHE A 72 -20.848 -5.971 2.147 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.779 -4.707 1.451 1.00 0.00 C ATOM 1115 C PHE A 72 -21.812 -3.763 2.002 1.00 0.00 C ATOM 1116 O PHE A 72 -23.000 -4.116 2.113 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.934 -4.862 -0.059 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.711 -5.389 -0.738 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -18.739 -4.514 -1.174 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -19.533 -6.736 -0.947 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -17.606 -4.970 -1.809 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -18.404 -7.204 -1.587 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.440 -6.316 -2.017 1.00 0.00 C ATOM 0 H PHE A 72 -21.453 -6.661 1.702 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.785 -4.292 1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.769 -5.532 -0.263 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -21.190 -3.894 -0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -18.869 -3.454 -1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -20.284 -7.434 -0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -16.852 -4.272 -2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -18.275 -8.264 -1.751 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.555 -6.680 -2.517 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.356 -2.601 2.385 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.157 -1.578 3.006 1.00 0.00 C ATOM 1135 C GLN A 73 -21.723 -0.207 2.466 1.00 0.00 C ATOM 1136 O GLN A 73 -20.536 -0.005 2.152 1.00 0.00 O ATOM 1137 CB GLN A 73 -21.966 -1.661 4.531 1.00 0.00 C ATOM 1138 CG GLN A 73 -22.498 -2.961 5.147 1.00 0.00 C ATOM 1139 CD GLN A 73 -22.002 -3.221 6.549 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -20.976 -3.869 6.744 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -22.708 -2.734 7.524 1.00 0.00 N ATOM 0 H GLN A 73 -20.380 -2.330 2.269 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.214 -1.719 2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -20.905 -1.567 4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -22.469 -0.815 4.998 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -23.587 -2.927 5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -22.211 -3.798 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -23.554 -2.201 7.324 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -22.416 -2.885 8.490 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.674 0.703 2.327 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.419 2.023 1.783 1.00 0.00 C ATOM 1152 C GLU A 74 -21.724 2.922 2.810 1.00 0.00 C ATOM 1153 O GLU A 74 -22.149 3.036 3.982 1.00 0.00 O ATOM 1154 CB GLU A 74 -23.722 2.651 1.242 1.00 0.00 C ATOM 1155 CG GLU A 74 -23.525 3.957 0.476 1.00 0.00 C ATOM 1156 CD GLU A 74 -24.775 4.410 -0.241 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -25.147 3.793 -1.256 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -25.400 5.410 0.169 1.00 0.00 O ATOM 0 H GLU A 74 -23.647 0.544 2.590 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.734 1.922 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.213 1.931 0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.397 2.833 2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.207 4.735 1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -22.722 3.830 -0.250 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.672 3.549 2.367 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.834 4.373 3.202 1.00 0.00 C ATOM 1167 C ALA A 75 -19.335 5.601 2.449 1.00 0.00 C ATOM 1168 O ALA A 75 -19.528 5.719 1.239 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.665 3.556 3.703 1.00 0.00 C ATOM 0 H ALA A 75 -20.363 3.503 1.396 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.426 4.722 4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.031 4.178 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.034 2.709 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.086 3.191 2.855 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.729 6.522 3.175 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.194 7.753 2.600 1.00 0.00 C ATOM 1177 C ILE A 76 -16.699 7.784 2.872 1.00 0.00 C ATOM 1178 O ILE A 76 -16.263 7.368 3.954 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.793 9.024 3.284 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -20.300 8.878 3.562 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.525 10.272 2.438 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -21.142 8.574 2.352 1.00 0.00 C ATOM 0 H ILE A 76 -18.591 6.442 4.182 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.440 7.763 1.538 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.293 9.135 4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.444 8.084 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.662 9.801 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.950 11.145 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.450 10.409 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.984 10.152 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -22.188 8.490 2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -21.035 9.377 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.814 7.635 1.907 1.00 0.00 H new ATOM 1194 N ILE A 77 -15.920 8.270 1.934 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.479 8.365 2.132 1.00 0.00 C ATOM 1196 C ILE A 77 -14.159 9.515 3.082 1.00 0.00 C ATOM 1197 O ILE A 77 -14.647 10.620 2.899 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.659 8.561 0.815 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.834 7.407 -0.178 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.181 8.756 1.107 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.132 7.395 -0.908 1.00 0.00 C ATOM 0 H ILE A 77 -16.250 8.606 1.029 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.179 7.405 2.551 1.00 0.00 H new ATOM 0 HB ILE A 77 -14.061 9.462 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -13.025 7.449 -0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.729 6.465 0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.640 8.889 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.047 9.639 1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.794 7.880 1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.160 6.542 -1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.951 7.317 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.236 8.317 -1.480 1.00 0.00 H new ATOM 1213 N SER A 78 -13.376 9.242 4.096 1.00 0.00 N ATOM 1214 CA SER A 78 -12.973 10.252 5.050 1.00 0.00 C ATOM 1215 C SER A 78 -11.439 10.509 4.977 1.00 0.00 C ATOM 1216 O SER A 78 -10.944 11.541 5.424 1.00 0.00 O ATOM 1217 CB SER A 78 -13.423 9.805 6.436 1.00 0.00 C ATOM 1218 OG SER A 78 -14.814 9.466 6.390 1.00 0.00 O ATOM 0 H SER A 78 -12.998 8.314 4.286 1.00 0.00 H new ATOM 0 HA SER A 78 -13.447 11.205 4.816 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.837 8.946 6.763 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.254 10.601 7.161 1.00 0.00 H new ATOM 0 HG SER A 78 -15.110 9.176 7.278 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.716 9.573 4.363 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.261 9.655 4.164 1.00 0.00 C ATOM 1226 C LYS A 79 -8.885 8.557 3.203 1.00 0.00 C ATOM 1227 O LYS A 79 -9.625 7.599 3.067 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.469 9.403 5.485 1.00 0.00 C ATOM 1229 CG LYS A 79 -6.947 9.582 5.335 1.00 0.00 C ATOM 1230 CD LYS A 79 -6.199 9.137 6.571 1.00 0.00 C ATOM 1231 CE LYS A 79 -4.683 9.281 6.408 1.00 0.00 C ATOM 1232 NZ LYS A 79 -4.119 8.419 5.323 1.00 0.00 N ATOM 0 H LYS A 79 -11.127 8.721 3.982 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.016 10.653 3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.833 10.086 6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.675 8.391 5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.598 9.011 4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.723 10.630 5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.529 9.727 7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.443 8.097 6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.445 10.323 6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.198 9.030 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.080 8.446 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.446 7.440 5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.439 8.771 4.398 1.00 0.00 H new ATOM 1246 N LEU A 80 -7.791 8.699 2.516 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.259 7.608 1.753 1.00 0.00 C ATOM 1248 C LEU A 80 -5.837 7.376 2.224 1.00 0.00 C ATOM 1249 O LEU A 80 -5.091 8.338 2.481 1.00 0.00 O ATOM 1250 CB LEU A 80 -7.290 7.829 0.222 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.636 8.228 -0.418 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -8.924 9.704 -0.243 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -8.682 7.848 -1.879 1.00 0.00 C ATOM 0 H LEU A 80 -7.248 9.561 2.468 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.893 6.738 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.561 8.603 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.950 6.910 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.415 7.673 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.880 9.946 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.966 9.943 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.134 10.287 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.643 8.142 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.880 8.357 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.557 6.770 -1.979 1.00 0.00 H new ATOM 1265 N THR A 81 -5.492 6.162 2.426 1.00 0.00 N ATOM 1266 CA THR A 81 -4.186 5.797 2.865 1.00 0.00 C ATOM 1267 C THR A 81 -3.496 5.003 1.769 1.00 0.00 C ATOM 1268 O THR A 81 -3.916 3.891 1.423 1.00 0.00 O ATOM 1269 CB THR A 81 -4.290 4.972 4.166 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.995 5.758 5.152 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.913 4.594 4.708 1.00 0.00 C ATOM 0 H THR A 81 -6.119 5.369 2.290 1.00 0.00 H new ATOM 0 HA THR A 81 -3.596 6.690 3.073 1.00 0.00 H new ATOM 0 HB THR A 81 -4.825 4.047 3.949 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.071 5.247 5.985 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.029 4.014 5.624 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.381 3.998 3.966 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.345 5.499 4.921 1.00 0.00 H new ATOM 1301 N SER A 84 1.001 0.117 -0.898 1.00 0.00 N ATOM 1302 CA SER A 84 1.625 -0.464 -2.040 1.00 0.00 C ATOM 1303 C SER A 84 2.505 -1.605 -1.616 1.00 0.00 C ATOM 1304 O SER A 84 3.389 -1.449 -0.758 1.00 0.00 O ATOM 1305 CB SER A 84 2.402 0.596 -2.819 1.00 0.00 C ATOM 1306 OG SER A 84 3.129 1.418 -1.929 1.00 0.00 O ATOM 0 HA SER A 84 0.861 -0.862 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.083 0.116 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.714 1.203 -3.407 1.00 0.00 H new ATOM 0 HG SER A 84 2.666 1.455 -1.066 1.00 0.00 H new ATOM 1312 N TRP A 85 2.232 -2.742 -2.151 1.00 0.00 N ATOM 1313 CA TRP A 85 2.995 -3.907 -1.858 1.00 0.00 C ATOM 1314 C TRP A 85 3.840 -4.257 -3.055 1.00 0.00 C ATOM 1315 O TRP A 85 3.314 -4.588 -4.128 1.00 0.00 O ATOM 1316 CB TRP A 85 2.087 -5.080 -1.479 1.00 0.00 C ATOM 1317 CG TRP A 85 1.273 -4.854 -0.245 1.00 0.00 C ATOM 1318 CD1 TRP A 85 -0.081 -4.729 -0.167 1.00 0.00 C ATOM 1319 CD2 TRP A 85 1.765 -4.718 1.090 1.00 0.00 C ATOM 1320 NE1 TRP A 85 -0.461 -4.528 1.134 1.00 0.00 N ATOM 1321 CE2 TRP A 85 0.653 -4.517 1.926 1.00 0.00 C ATOM 1322 CE3 TRP A 85 3.041 -4.753 1.662 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 0.774 -4.347 3.295 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 3.159 -4.584 3.019 1.00 0.00 C ATOM 1325 CH2 TRP A 85 2.032 -4.385 3.824 1.00 0.00 C ATOM 0 H TRP A 85 1.468 -2.893 -2.809 1.00 0.00 H new ATOM 0 HA TRP A 85 3.640 -3.703 -1.003 1.00 0.00 H new ATOM 0 HB2 TRP A 85 1.414 -5.287 -2.311 1.00 0.00 H new ATOM 0 HB3 TRP A 85 2.702 -5.969 -1.337 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.757 -4.781 -1.008 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.420 -4.406 1.459 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.916 -4.910 1.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.093 -4.190 3.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 4.139 -4.605 3.473 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.160 -4.258 4.889 1.00 0.00 H new ATOM 1336 N TYR A 86 5.124 -4.149 -2.897 1.00 0.00 N ATOM 1337 CA TYR A 86 6.038 -4.442 -3.961 1.00 0.00 C ATOM 1338 C TYR A 86 6.624 -5.808 -3.731 1.00 0.00 C ATOM 1339 O TYR A 86 7.356 -6.032 -2.771 1.00 0.00 O ATOM 1340 CB TYR A 86 7.128 -3.363 -4.065 1.00 0.00 C ATOM 1341 CG TYR A 86 6.562 -1.980 -4.332 1.00 0.00 C ATOM 1342 CD1 TYR A 86 6.244 -1.571 -5.623 1.00 0.00 C ATOM 1343 CD2 TYR A 86 6.311 -1.095 -3.290 1.00 0.00 C ATOM 1344 CE1 TYR A 86 5.698 -0.339 -5.862 1.00 0.00 C ATOM 1345 CE2 TYR A 86 5.771 0.150 -3.532 1.00 0.00 C ATOM 1346 CZ TYR A 86 5.467 0.519 -4.822 1.00 0.00 C ATOM 1347 OH TYR A 86 4.913 1.752 -5.079 1.00 0.00 O ATOM 0 H TYR A 86 5.569 -3.855 -2.027 1.00 0.00 H new ATOM 0 HA TYR A 86 5.508 -4.440 -4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.703 -3.343 -3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.820 -3.628 -4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.431 -2.238 -6.452 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.542 -1.387 -2.276 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.450 -0.044 -6.871 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.588 0.831 -2.714 1.00 0.00 H new ATOM 0 HH TYR A 86 4.809 2.246 -4.239 1.00 0.00 H new ATOM 1357 N THR A 87 6.251 -6.722 -4.563 1.00 0.00 N ATOM 1358 CA THR A 87 6.672 -8.068 -4.455 1.00 0.00 C ATOM 1359 C THR A 87 7.957 -8.218 -5.252 1.00 0.00 C ATOM 1360 O THR A 87 7.934 -8.219 -6.483 1.00 0.00 O ATOM 1361 CB THR A 87 5.580 -8.961 -5.033 1.00 0.00 C ATOM 1362 OG1 THR A 87 4.307 -8.453 -4.586 1.00 0.00 O ATOM 1363 CG2 THR A 87 5.738 -10.376 -4.536 1.00 0.00 C ATOM 0 H THR A 87 5.631 -6.544 -5.353 1.00 0.00 H new ATOM 0 HA THR A 87 6.850 -8.351 -3.418 1.00 0.00 H new ATOM 0 HB THR A 87 5.646 -8.961 -6.121 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.601 -9.095 -4.810 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.950 -11.000 -4.958 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.710 -10.763 -4.842 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.668 -10.390 -3.448 1.00 0.00 H new ATOM 1371 N VAL A 88 9.055 -8.288 -4.559 1.00 0.00 N ATOM 1372 CA VAL A 88 10.353 -8.321 -5.177 1.00 0.00 C ATOM 1373 C VAL A 88 10.976 -9.718 -5.089 1.00 0.00 C ATOM 1374 O VAL A 88 10.867 -10.403 -4.073 1.00 0.00 O ATOM 1375 CB VAL A 88 11.289 -7.247 -4.561 1.00 0.00 C ATOM 1376 CG1 VAL A 88 10.794 -5.859 -4.893 1.00 0.00 C ATOM 1377 CG2 VAL A 88 11.355 -7.410 -3.069 1.00 0.00 C ATOM 0 H VAL A 88 9.078 -8.324 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 88 10.225 -8.086 -6.234 1.00 0.00 H new ATOM 0 HB VAL A 88 12.285 -7.380 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.463 -5.119 -4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.772 -5.730 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.790 -5.725 -4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.015 -6.651 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.357 -7.297 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.742 -8.400 -2.828 1.00 0.00 H new ATOM 1387 N VAL A 89 11.622 -10.101 -6.151 1.00 0.00 N ATOM 1388 CA VAL A 89 12.181 -11.433 -6.334 1.00 0.00 C ATOM 1389 C VAL A 89 13.664 -11.406 -6.088 1.00 0.00 C ATOM 1390 O VAL A 89 14.369 -10.589 -6.686 1.00 0.00 O ATOM 1391 CB VAL A 89 12.012 -11.918 -7.802 1.00 0.00 C ATOM 1392 CG1 VAL A 89 12.208 -13.412 -7.921 1.00 0.00 C ATOM 1393 CG2 VAL A 89 10.711 -11.472 -8.438 1.00 0.00 C ATOM 0 H VAL A 89 11.786 -9.484 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 89 11.658 -12.091 -5.640 1.00 0.00 H new ATOM 0 HB VAL A 89 12.804 -11.430 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.082 -13.714 -8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.211 -13.675 -7.586 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.472 -13.926 -7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.659 -11.845 -9.461 1.00 0.00 H new ATOM 0 HG22 VAL A 89 9.872 -11.866 -7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.665 -10.383 -8.446 1.00 0.00 H new ATOM 1403 N PHE A 90 14.143 -12.285 -5.256 1.00 0.00 N ATOM 1404 CA PHE A 90 15.565 -12.411 -5.040 1.00 0.00 C ATOM 1405 C PHE A 90 16.128 -13.374 -6.066 1.00 0.00 C ATOM 1406 O PHE A 90 15.364 -14.014 -6.795 1.00 0.00 O ATOM 1407 CB PHE A 90 15.872 -12.917 -3.630 1.00 0.00 C ATOM 1408 CG PHE A 90 15.397 -12.009 -2.539 1.00 0.00 C ATOM 1409 CD1 PHE A 90 15.905 -10.729 -2.423 1.00 0.00 C ATOM 1410 CD2 PHE A 90 14.462 -12.440 -1.618 1.00 0.00 C ATOM 1411 CE1 PHE A 90 15.488 -9.894 -1.413 1.00 0.00 C ATOM 1412 CE2 PHE A 90 14.040 -11.606 -0.606 1.00 0.00 C ATOM 1413 CZ PHE A 90 14.555 -10.333 -0.506 1.00 0.00 C ATOM 0 H PHE A 90 13.571 -12.930 -4.711 1.00 0.00 H new ATOM 0 HA PHE A 90 16.026 -11.429 -5.147 1.00 0.00 H new ATOM 0 HB2 PHE A 90 15.412 -13.897 -3.499 1.00 0.00 H new ATOM 0 HB3 PHE A 90 16.949 -13.054 -3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 90 16.639 -10.380 -3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 90 14.058 -13.439 -1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 90 15.893 -8.896 -1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 90 13.306 -11.950 0.108 1.00 0.00 H new ATOM 0 HZ PHE A 90 14.225 -9.679 0.287 1.00 0.00 H new ATOM 1423 N ASP A 91 17.439 -13.517 -6.095 1.00 0.00 N ATOM 1424 CA ASP A 91 18.128 -14.405 -7.059 1.00 0.00 C ATOM 1425 C ASP A 91 17.718 -15.863 -6.902 1.00 0.00 C ATOM 1426 O ASP A 91 17.909 -16.682 -7.809 1.00 0.00 O ATOM 1427 CB ASP A 91 19.652 -14.274 -6.947 1.00 0.00 C ATOM 1428 CG ASP A 91 20.160 -12.940 -7.422 1.00 0.00 C ATOM 1429 OD1 ASP A 91 20.427 -12.800 -8.619 1.00 0.00 O ATOM 1430 OD2 ASP A 91 20.264 -11.991 -6.602 1.00 0.00 O ATOM 0 H ASP A 91 18.070 -13.029 -5.459 1.00 0.00 H new ATOM 0 HA ASP A 91 17.817 -14.078 -8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 91 19.949 -14.422 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 91 20.124 -15.065 -7.529 1.00 0.00 H new ATOM 1435 N ASP A 92 17.137 -16.183 -5.761 1.00 0.00 N ATOM 1436 CA ASP A 92 16.657 -17.532 -5.461 1.00 0.00 C ATOM 1437 C ASP A 92 15.414 -17.843 -6.276 1.00 0.00 C ATOM 1438 O ASP A 92 15.044 -18.991 -6.438 1.00 0.00 O ATOM 1439 CB ASP A 92 16.246 -17.633 -3.990 1.00 0.00 C ATOM 1440 CG ASP A 92 17.308 -17.210 -3.029 1.00 0.00 C ATOM 1441 OD1 ASP A 92 17.447 -16.003 -2.797 1.00 0.00 O ATOM 1442 OD2 ASP A 92 17.986 -18.075 -2.433 1.00 0.00 O ATOM 0 H ASP A 92 16.981 -15.514 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 92 17.465 -18.225 -5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 92 15.360 -17.019 -3.829 1.00 0.00 H new ATOM 0 HB3 ASP A 92 15.964 -18.663 -3.773 1.00 0.00 H new ATOM 1447 N GLY A 93 14.777 -16.811 -6.797 1.00 0.00 N ATOM 1448 CA GLY A 93 13.539 -16.995 -7.524 1.00 0.00 C ATOM 1449 C GLY A 93 12.345 -16.829 -6.607 1.00 0.00 C ATOM 1450 O GLY A 93 11.200 -16.945 -7.029 1.00 0.00 O ATOM 0 H GLY A 93 15.095 -15.844 -6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.480 -16.273 -8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.521 -17.987 -7.975 1.00 0.00 H new ATOM 1454 N ASP A 94 12.633 -16.565 -5.348 1.00 0.00 N ATOM 1455 CA ASP A 94 11.621 -16.352 -4.324 1.00 0.00 C ATOM 1456 C ASP A 94 11.359 -14.889 -4.177 1.00 0.00 C ATOM 1457 O ASP A 94 12.302 -14.084 -4.080 1.00 0.00 O ATOM 1458 CB ASP A 94 12.051 -16.932 -2.962 1.00 0.00 C ATOM 1459 CG ASP A 94 11.937 -18.434 -2.879 1.00 0.00 C ATOM 1460 OD1 ASP A 94 12.686 -19.144 -3.565 1.00 0.00 O ATOM 1461 OD2 ASP A 94 11.090 -18.941 -2.109 1.00 0.00 O ATOM 0 H ASP A 94 13.589 -16.491 -4.999 1.00 0.00 H new ATOM 0 HA ASP A 94 10.715 -16.870 -4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.083 -16.643 -2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.439 -16.486 -2.178 1.00 0.00 H new ATOM 1466 N GLU A 95 10.116 -14.532 -4.179 1.00 0.00 N ATOM 1467 CA GLU A 95 9.726 -13.169 -4.065 1.00 0.00 C ATOM 1468 C GLU A 95 9.031 -12.886 -2.741 1.00 0.00 C ATOM 1469 O GLU A 95 8.218 -13.680 -2.260 1.00 0.00 O ATOM 1470 CB GLU A 95 8.856 -12.719 -5.258 1.00 0.00 C ATOM 1471 CG GLU A 95 7.547 -13.482 -5.463 1.00 0.00 C ATOM 1472 CD GLU A 95 7.730 -14.879 -6.003 1.00 0.00 C ATOM 1473 OE1 GLU A 95 7.925 -15.823 -5.205 1.00 0.00 O ATOM 1474 OE2 GLU A 95 7.641 -15.054 -7.239 1.00 0.00 O ATOM 0 H GLU A 95 9.337 -15.186 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 95 10.642 -12.579 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 95 8.621 -11.662 -5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.450 -12.806 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.018 -13.537 -4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.913 -12.919 -6.148 1.00 0.00 H new ATOM 1481 N ARG A 96 9.382 -11.777 -2.143 1.00 0.00 N ATOM 1482 CA ARG A 96 8.784 -11.326 -0.902 1.00 0.00 C ATOM 1483 C ARG A 96 8.176 -9.967 -1.106 1.00 0.00 C ATOM 1484 O ARG A 96 8.555 -9.246 -2.026 1.00 0.00 O ATOM 1485 CB ARG A 96 9.766 -11.324 0.298 1.00 0.00 C ATOM 1486 CG ARG A 96 10.038 -12.702 0.917 1.00 0.00 C ATOM 1487 CD ARG A 96 10.809 -13.623 -0.010 1.00 0.00 C ATOM 1488 NE ARG A 96 10.908 -14.985 0.508 1.00 0.00 N ATOM 1489 CZ ARG A 96 12.022 -15.722 0.531 1.00 0.00 C ATOM 1490 NH1 ARG A 96 13.192 -15.175 0.223 1.00 0.00 N ATOM 1491 NH2 ARG A 96 11.963 -16.996 0.887 1.00 0.00 N ATOM 0 H ARG A 96 10.100 -11.150 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 96 8.008 -12.045 -0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.714 -10.896 -0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.369 -10.667 1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.598 -12.575 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.090 -13.170 1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.321 -13.643 -0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.811 -13.223 -0.163 1.00 0.00 H new ATOM 0 HE ARG A 96 10.058 -15.407 0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.242 -14.189 -0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.040 -15.741 0.242 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.068 -17.413 1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.812 -17.560 0.905 1.00 0.00 H new ATOM 1505 N THR A 97 7.258 -9.621 -0.273 1.00 0.00 N ATOM 1506 CA THR A 97 6.521 -8.412 -0.417 1.00 0.00 C ATOM 1507 C THR A 97 7.047 -7.332 0.551 1.00 0.00 C ATOM 1508 O THR A 97 7.061 -7.518 1.773 1.00 0.00 O ATOM 1509 CB THR A 97 5.046 -8.724 -0.165 1.00 0.00 C ATOM 1510 OG1 THR A 97 4.668 -9.859 -0.987 1.00 0.00 O ATOM 1511 CG2 THR A 97 4.189 -7.554 -0.533 1.00 0.00 C ATOM 0 H THR A 97 6.993 -10.177 0.540 1.00 0.00 H new ATOM 0 HA THR A 97 6.641 -8.013 -1.424 1.00 0.00 H new ATOM 0 HB THR A 97 4.903 -8.945 0.893 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.724 -10.073 -0.835 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.143 -7.796 -0.346 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.474 -6.691 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.325 -7.322 -1.589 1.00 0.00 H new ATOM 1519 N LEU A 98 7.506 -6.234 -0.012 1.00 0.00 N ATOM 1520 CA LEU A 98 8.086 -5.137 0.742 1.00 0.00 C ATOM 1521 C LEU A 98 7.343 -3.836 0.492 1.00 0.00 C ATOM 1522 O LEU A 98 6.438 -3.760 -0.353 1.00 0.00 O ATOM 1523 CB LEU A 98 9.565 -4.908 0.347 1.00 0.00 C ATOM 1524 CG LEU A 98 10.647 -5.874 0.867 1.00 0.00 C ATOM 1525 CD1 LEU A 98 10.692 -5.892 2.386 1.00 0.00 C ATOM 1526 CD2 LEU A 98 10.482 -7.278 0.322 1.00 0.00 C ATOM 0 H LEU A 98 7.488 -6.074 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 98 8.011 -5.416 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.617 -4.915 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.839 -3.905 0.673 1.00 0.00 H new ATOM 0 HG LEU A 98 11.600 -5.494 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 98 11.466 -6.584 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.916 -4.891 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.726 -6.214 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 98 11.270 -7.918 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.510 -7.672 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.547 -7.256 -0.766 1.00 0.00 H new ATOM 1538 N ARG A 99 7.746 -2.827 1.231 1.00 0.00 N ATOM 1539 CA ARG A 99 7.278 -1.469 1.069 1.00 0.00 C ATOM 1540 C ARG A 99 8.325 -0.733 0.262 1.00 0.00 C ATOM 1541 O ARG A 99 9.449 -1.219 0.140 1.00 0.00 O ATOM 1542 CB ARG A 99 7.172 -0.780 2.436 1.00 0.00 C ATOM 1543 CG ARG A 99 6.074 -1.279 3.354 1.00 0.00 C ATOM 1544 CD ARG A 99 4.701 -0.902 2.831 1.00 0.00 C ATOM 1545 NE ARG A 99 3.652 -1.179 3.812 1.00 0.00 N ATOM 1546 CZ ARG A 99 2.517 -0.485 3.944 1.00 0.00 C ATOM 1547 NH1 ARG A 99 2.236 0.525 3.110 1.00 0.00 N ATOM 1548 NH2 ARG A 99 1.671 -0.790 4.917 1.00 0.00 N ATOM 0 H ARG A 99 8.428 -2.932 1.983 1.00 0.00 H new ATOM 0 HA ARG A 99 6.302 -1.465 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.126 -0.892 2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.022 0.287 2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.143 -2.362 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.213 -0.860 4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.688 0.157 2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.497 -1.455 1.914 1.00 0.00 H new ATOM 0 HE ARG A 99 3.798 -1.964 4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.890 0.770 2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.368 1.049 3.218 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.887 -1.551 5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.804 -0.264 5.022 1.00 0.00 H new ATOM 1562 N ARG A 100 8.003 0.449 -0.248 1.00 0.00 N ATOM 1563 CA ARG A 100 9.015 1.240 -0.967 1.00 0.00 C ATOM 1564 C ARG A 100 10.055 1.755 0.019 1.00 0.00 C ATOM 1565 O ARG A 100 11.170 2.055 -0.342 1.00 0.00 O ATOM 1566 CB ARG A 100 8.410 2.427 -1.736 1.00 0.00 C ATOM 1567 CG ARG A 100 7.735 3.479 -0.860 1.00 0.00 C ATOM 1568 CD ARG A 100 7.417 4.733 -1.659 1.00 0.00 C ATOM 1569 NE ARG A 100 8.641 5.427 -2.106 1.00 0.00 N ATOM 1570 CZ ARG A 100 8.726 6.221 -3.188 1.00 0.00 C ATOM 1571 NH1 ARG A 100 7.684 6.384 -3.991 1.00 0.00 N ATOM 1572 NH2 ARG A 100 9.858 6.850 -3.458 1.00 0.00 N ATOM 0 H ARG A 100 7.080 0.878 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 100 9.475 0.579 -1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.199 2.908 -2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 100 7.680 2.045 -2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.817 3.071 -0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.386 3.732 -0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.813 4.467 -2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.818 5.410 -1.049 1.00 0.00 H new ATOM 0 HE ARG A 100 9.487 5.294 -1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.806 5.905 -3.791 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.760 6.989 -4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.665 6.732 -2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.924 7.452 -4.278 1.00 0.00 H new ATOM 1586 N THR A 101 9.661 1.809 1.272 1.00 0.00 N ATOM 1587 CA THR A 101 10.489 2.271 2.355 1.00 0.00 C ATOM 1588 C THR A 101 11.565 1.204 2.713 1.00 0.00 C ATOM 1589 O THR A 101 12.493 1.455 3.494 1.00 0.00 O ATOM 1590 CB THR A 101 9.577 2.550 3.566 1.00 0.00 C ATOM 1591 OG1 THR A 101 8.417 3.267 3.089 1.00 0.00 O ATOM 1592 CG2 THR A 101 10.285 3.408 4.611 1.00 0.00 C ATOM 0 H THR A 101 8.728 1.524 1.570 1.00 0.00 H new ATOM 0 HA THR A 101 11.014 3.181 2.065 1.00 0.00 H new ATOM 0 HB THR A 101 9.304 1.603 4.031 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.817 3.456 3.841 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.614 3.586 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 101 11.177 2.890 4.963 1.00 0.00 H new ATOM 0 HG23 THR A 101 10.570 4.361 4.166 1.00 0.00 H new ATOM 1600 N SER A 102 11.430 0.017 2.143 1.00 0.00 N ATOM 1601 CA SER A 102 12.367 -1.025 2.360 1.00 0.00 C ATOM 1602 C SER A 102 13.325 -1.061 1.180 1.00 0.00 C ATOM 1603 O SER A 102 14.370 -1.689 1.241 1.00 0.00 O ATOM 1604 CB SER A 102 11.594 -2.334 2.414 1.00 0.00 C ATOM 1605 OG SER A 102 10.436 -2.199 3.237 1.00 0.00 O ATOM 0 H SER A 102 10.661 -0.231 1.520 1.00 0.00 H new ATOM 0 HA SER A 102 12.924 -0.871 3.284 1.00 0.00 H new ATOM 0 HB2 SER A 102 11.299 -2.630 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.234 -3.125 2.804 1.00 0.00 H new ATOM 0 HG SER A 102 10.318 -3.012 3.771 1.00 0.00 H new ATOM 1611 N LEU A 103 12.976 -0.339 0.129 1.00 0.00 N ATOM 1612 CA LEU A 103 13.686 -0.425 -1.112 1.00 0.00 C ATOM 1613 C LEU A 103 14.629 0.752 -1.284 1.00 0.00 C ATOM 1614 O LEU A 103 14.227 1.886 -1.199 1.00 0.00 O ATOM 1615 CB LEU A 103 12.680 -0.479 -2.269 1.00 0.00 C ATOM 1616 CG LEU A 103 11.629 -1.601 -2.203 1.00 0.00 C ATOM 1617 CD1 LEU A 103 10.713 -1.558 -3.413 1.00 0.00 C ATOM 1618 CD2 LEU A 103 12.280 -2.972 -2.059 1.00 0.00 C ATOM 0 H LEU A 103 12.195 0.317 0.123 1.00 0.00 H new ATOM 0 HA LEU A 103 14.288 -1.334 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 103 12.158 0.477 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 103 13.235 -0.584 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 103 11.024 -1.432 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.979 -2.361 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 103 10.198 -0.598 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 103 11.303 -1.684 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.507 -3.739 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.929 -3.158 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 103 12.871 -3.000 -1.143 1.00 0.00 H new ATOM 1630 N CYS A 104 15.866 0.432 -1.578 1.00 0.00 N ATOM 1631 CA CYS A 104 16.949 1.386 -1.756 1.00 0.00 C ATOM 1632 C CYS A 104 16.645 2.344 -2.918 1.00 0.00 C ATOM 1633 O CYS A 104 16.878 3.542 -2.814 1.00 0.00 O ATOM 1634 CB CYS A 104 18.240 0.598 -2.011 1.00 0.00 C ATOM 1635 SG CYS A 104 19.763 1.549 -1.988 1.00 0.00 S ATOM 0 H CYS A 104 16.164 -0.535 -1.706 1.00 0.00 H new ATOM 0 HA CYS A 104 17.062 1.997 -0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 104 18.316 -0.189 -1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 104 18.157 0.107 -2.981 1.00 0.00 H new ATOM 0 HG CYS A 104 20.474 1.204 -0.956 1.00 0.00 H new