USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 687 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 16 TYR OH : rot 11:sc= 0.753 USER MOD Set 1.2: A 17 GLN : amide:sc= -8.67! C(o=-7.9!,f=-12!) USER MOD Set 2.1: A 13 THR OG1 : rot 122:sc= 0.504 USER MOD Set 2.2: A 22 LYS NZ :NH3+ 164:sc= 0.875 (180deg=0) USER MOD Single : A 1 THR N :NH3+ -151:sc=-0.00963 (180deg=-0.0558) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00765 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -114:sc= -0.193 (180deg=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -6.41! C(o=-6.4!,f=-6.3!) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0.00155 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 31 MET CE :methyl -128:sc= -2.96! (180deg=-4.69!) USER MOD Single : A 33 HIS : no HD1:sc= -4.92! C(o=-4.9!,f=-7.2!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -127:sc= 0.885 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.489 K(o=-0.49,f=-7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -146:sc= 0.0121 USER MOD Single : A 50 TYR OH : rot -13:sc= -0.624 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00832 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 60 THR OG1 : rot 78:sc= 0.725 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.011) USER MOD Single : A 71 SER OG : rot -23:sc= -0.0581! USER MOD Single : A 72 SER OG : rot 180:sc= 0.224 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -86:sc= 0.711 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 22.133 -4.933 -9.305 1.00 0.00 N ATOM 2 CA THR A 1 21.248 -6.136 -9.339 1.00 0.00 C ATOM 3 C THR A 1 20.147 -6.013 -8.284 1.00 0.00 C ATOM 4 O THR A 1 19.036 -6.467 -8.476 1.00 0.00 O ATOM 5 CB THR A 1 22.163 -7.319 -9.016 1.00 0.00 C ATOM 6 OG1 THR A 1 23.453 -7.083 -9.562 1.00 0.00 O ATOM 7 CG2 THR A 1 21.578 -8.599 -9.617 1.00 0.00 C ATOM 0 H1 THR A 1 22.529 -4.766 -10.252 1.00 0.00 H new ATOM 0 H2 THR A 1 21.580 -4.103 -9.010 1.00 0.00 H new ATOM 0 H3 THR A 1 22.908 -5.091 -8.629 1.00 0.00 H new ATOM 0 HA THR A 1 20.756 -6.254 -10.304 1.00 0.00 H new ATOM 0 HB THR A 1 22.242 -7.432 -7.935 1.00 0.00 H new ATOM 0 HG1 THR A 1 24.040 -7.840 -9.354 1.00 0.00 H new ATOM 0 HG21 THR A 1 22.231 -9.441 -9.386 1.00 0.00 H new ATOM 0 HG22 THR A 1 20.589 -8.780 -9.195 1.00 0.00 H new ATOM 0 HG23 THR A 1 21.497 -8.489 -10.698 1.00 0.00 H new ATOM 17 N LYS A 2 20.446 -5.402 -7.171 1.00 0.00 N ATOM 18 CA LYS A 2 19.417 -5.252 -6.102 1.00 0.00 C ATOM 19 C LYS A 2 19.418 -3.818 -5.565 1.00 0.00 C ATOM 20 O LYS A 2 19.867 -3.559 -4.467 1.00 0.00 O ATOM 21 CB LYS A 2 19.843 -6.232 -5.007 1.00 0.00 C ATOM 22 CG LYS A 2 19.882 -7.652 -5.574 1.00 0.00 C ATOM 23 CD LYS A 2 19.781 -8.659 -4.427 1.00 0.00 C ATOM 24 CE LYS A 2 21.035 -8.564 -3.555 1.00 0.00 C ATOM 25 NZ LYS A 2 20.536 -8.199 -2.199 1.00 0.00 N ATOM 0 H LYS A 2 21.358 -5.000 -6.955 1.00 0.00 H new ATOM 0 HA LYS A 2 18.410 -5.455 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 2 20.825 -5.957 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.146 -6.183 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.060 -7.798 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.807 -7.808 -6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 2 18.893 -8.457 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.676 -9.669 -4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.574 -9.511 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.725 -7.812 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 21.340 -8.115 -1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.033 -7.290 -2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.887 -8.936 -1.858 1.00 0.00 H new ATOM 39 N ALA A 3 18.919 -2.886 -6.329 1.00 0.00 N ATOM 40 CA ALA A 3 18.895 -1.470 -5.857 1.00 0.00 C ATOM 41 C ALA A 3 17.617 -1.196 -5.059 1.00 0.00 C ATOM 42 O ALA A 3 16.520 -1.433 -5.524 1.00 0.00 O ATOM 43 CB ALA A 3 18.924 -0.626 -7.131 1.00 0.00 C ATOM 0 H ALA A 3 18.527 -3.042 -7.258 1.00 0.00 H new ATOM 0 HA ALA A 3 19.733 -1.242 -5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.909 0.432 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.832 -0.847 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.053 -0.860 -7.743 1.00 0.00 H new ATOM 49 N SER A 4 17.752 -0.698 -3.860 1.00 0.00 N ATOM 50 CA SER A 4 16.547 -0.408 -3.032 1.00 0.00 C ATOM 51 C SER A 4 15.529 0.399 -3.845 1.00 0.00 C ATOM 52 O SER A 4 15.809 0.840 -4.941 1.00 0.00 O ATOM 53 CB SER A 4 17.065 0.415 -1.854 1.00 0.00 C ATOM 54 OG SER A 4 17.853 1.494 -2.343 1.00 0.00 O ATOM 0 H SER A 4 18.645 -0.479 -3.418 1.00 0.00 H new ATOM 0 HA SER A 4 16.043 -1.317 -2.703 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.229 0.797 -1.267 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.660 -0.213 -1.191 1.00 0.00 H new ATOM 0 HG SER A 4 18.185 2.025 -1.589 1.00 0.00 H new ATOM 60 N CYS A 5 14.352 0.594 -3.317 1.00 0.00 N ATOM 61 CA CYS A 5 13.319 1.370 -4.063 1.00 0.00 C ATOM 62 C CYS A 5 13.243 2.805 -3.530 1.00 0.00 C ATOM 63 O CYS A 5 14.229 3.370 -3.099 1.00 0.00 O ATOM 64 CB CYS A 5 12.003 0.633 -3.804 1.00 0.00 C ATOM 65 SG CYS A 5 12.236 -1.140 -4.083 1.00 0.00 S ATOM 0 H CYS A 5 14.060 0.250 -2.402 1.00 0.00 H new ATOM 0 HA CYS A 5 13.546 1.438 -5.127 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.670 0.810 -2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.224 1.016 -4.463 1.00 0.00 H new ATOM 70 N LYS A 6 12.079 3.396 -3.559 1.00 0.00 N ATOM 71 CA LYS A 6 11.935 4.794 -3.057 1.00 0.00 C ATOM 72 C LYS A 6 10.486 5.047 -2.632 1.00 0.00 C ATOM 73 O LYS A 6 9.611 5.206 -3.458 1.00 0.00 O ATOM 74 CB LYS A 6 12.307 5.681 -4.246 1.00 0.00 C ATOM 75 CG LYS A 6 13.477 6.590 -3.861 1.00 0.00 C ATOM 76 CD LYS A 6 13.877 7.445 -5.065 1.00 0.00 C ATOM 77 CE LYS A 6 14.525 8.742 -4.578 1.00 0.00 C ATOM 78 NZ LYS A 6 15.871 8.762 -5.215 1.00 0.00 N ATOM 0 H LYS A 6 11.220 2.971 -3.909 1.00 0.00 H new ATOM 0 HA LYS A 6 12.564 4.993 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.579 5.064 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.449 6.283 -4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.194 7.230 -3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.324 5.989 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.572 6.895 -5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.000 7.670 -5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.937 9.612 -4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.602 8.761 -3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.378 9.624 -4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.411 7.926 -4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.766 8.750 -6.250 1.00 0.00 H new ATOM 92 N LEU A 7 10.232 5.081 -1.348 1.00 0.00 N ATOM 93 CA LEU A 7 8.840 5.319 -0.859 1.00 0.00 C ATOM 94 C LEU A 7 8.129 6.356 -1.741 1.00 0.00 C ATOM 95 O LEU A 7 8.332 7.542 -1.578 1.00 0.00 O ATOM 96 CB LEU A 7 9.008 5.854 0.563 1.00 0.00 C ATOM 97 CG LEU A 7 10.034 6.989 0.566 1.00 0.00 C ATOM 98 CD1 LEU A 7 9.381 8.264 1.099 1.00 0.00 C ATOM 99 CD2 LEU A 7 11.213 6.607 1.462 1.00 0.00 C ATOM 0 H LEU A 7 10.931 4.954 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 7 8.235 4.413 -0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.052 6.214 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.334 5.054 1.227 1.00 0.00 H new ATOM 0 HG LEU A 7 10.390 7.160 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.111 9.073 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.540 8.536 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.025 8.093 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.945 7.415 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.857 6.436 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.679 5.697 1.083 1.00 0.00 H new ATOM 111 N PRO A 8 7.318 5.876 -2.653 1.00 0.00 N ATOM 112 CA PRO A 8 6.580 6.779 -3.567 1.00 0.00 C ATOM 113 C PRO A 8 5.609 7.661 -2.776 1.00 0.00 C ATOM 114 O PRO A 8 5.287 8.762 -3.177 1.00 0.00 O ATOM 115 CB PRO A 8 5.825 5.799 -4.473 1.00 0.00 C ATOM 116 CG PRO A 8 6.158 4.361 -4.034 1.00 0.00 C ATOM 117 CD PRO A 8 7.096 4.419 -2.821 1.00 0.00 C ATOM 0 HA PRO A 8 7.221 7.465 -4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.751 5.975 -4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.110 5.951 -5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.245 3.823 -3.780 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.631 3.817 -4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.642 3.973 -1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.029 3.885 -3.004 1.00 0.00 H new ATOM 125 N VAL A 9 5.144 7.186 -1.653 1.00 0.00 N ATOM 126 CA VAL A 9 4.195 7.996 -0.833 1.00 0.00 C ATOM 127 C VAL A 9 4.738 8.148 0.591 1.00 0.00 C ATOM 128 O VAL A 9 5.544 7.361 1.044 1.00 0.00 O ATOM 129 CB VAL A 9 2.887 7.203 -0.830 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.733 8.117 -0.417 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.616 6.652 -2.232 1.00 0.00 C ATOM 0 H VAL A 9 5.380 6.272 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 9 4.054 9.000 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 9 2.971 6.378 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.802 7.550 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.920 8.510 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.653 8.944 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.684 6.087 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.536 7.478 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.435 5.997 -2.530 1.00 0.00 H new ATOM 141 N LYS A 10 4.307 9.156 1.301 1.00 0.00 N ATOM 142 CA LYS A 10 4.809 9.354 2.691 1.00 0.00 C ATOM 143 C LYS A 10 3.811 8.795 3.709 1.00 0.00 C ATOM 144 O LYS A 10 3.902 9.065 4.891 1.00 0.00 O ATOM 145 CB LYS A 10 4.948 10.870 2.850 1.00 0.00 C ATOM 146 CG LYS A 10 5.967 11.176 3.950 1.00 0.00 C ATOM 147 CD LYS A 10 7.311 11.541 3.315 1.00 0.00 C ATOM 148 CE LYS A 10 7.313 13.025 2.934 1.00 0.00 C ATOM 149 NZ LYS A 10 7.347 13.762 4.230 1.00 0.00 N ATOM 0 H LYS A 10 3.631 9.849 0.980 1.00 0.00 H new ATOM 0 HA LYS A 10 5.753 8.836 2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.267 11.317 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.983 11.310 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.611 11.998 4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.084 10.311 4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.123 11.333 4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.485 10.928 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.178 13.272 2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.426 13.284 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.458 14.286 4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.462 13.085 5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.145 14.429 4.229 1.00 0.00 H new ATOM 163 N LYS A 11 2.860 8.018 3.267 1.00 0.00 N ATOM 164 CA LYS A 11 1.866 7.450 4.221 1.00 0.00 C ATOM 165 C LYS A 11 1.173 6.229 3.609 1.00 0.00 C ATOM 166 O LYS A 11 -0.028 6.074 3.703 1.00 0.00 O ATOM 167 CB LYS A 11 0.860 8.574 4.460 1.00 0.00 C ATOM 168 CG LYS A 11 1.288 9.383 5.685 1.00 0.00 C ATOM 169 CD LYS A 11 0.061 10.046 6.315 1.00 0.00 C ATOM 170 CE LYS A 11 -0.520 9.124 7.389 1.00 0.00 C ATOM 171 NZ LYS A 11 -1.992 9.156 7.168 1.00 0.00 N ATOM 0 H LYS A 11 2.729 7.753 2.291 1.00 0.00 H new ATOM 0 HA LYS A 11 2.332 7.114 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.805 9.220 3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.136 8.159 4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.776 8.732 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.016 10.141 5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.337 11.005 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.689 10.250 5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.128 8.111 7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.263 9.472 8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.461 8.546 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.337 10.131 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.207 8.813 6.210 1.00 0.00 H new ATOM 185 N ALA A 12 1.919 5.363 2.983 1.00 0.00 N ATOM 186 CA ALA A 12 1.298 4.155 2.367 1.00 0.00 C ATOM 187 C ALA A 12 1.270 2.998 3.371 1.00 0.00 C ATOM 188 O ALA A 12 2.270 2.663 3.975 1.00 0.00 O ATOM 189 CB ALA A 12 2.192 3.813 1.176 1.00 0.00 C ATOM 0 H ALA A 12 2.930 5.438 2.871 1.00 0.00 H new ATOM 0 HA ALA A 12 0.266 4.332 2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.800 2.932 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.211 4.653 0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.204 3.610 1.527 1.00 0.00 H new ATOM 195 N THR A 13 0.133 2.383 3.549 1.00 0.00 N ATOM 196 CA THR A 13 0.040 1.244 4.507 1.00 0.00 C ATOM 197 C THR A 13 -0.075 -0.075 3.739 1.00 0.00 C ATOM 198 O THR A 13 -1.090 -0.369 3.139 1.00 0.00 O ATOM 199 CB THR A 13 -1.229 1.507 5.317 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.081 2.717 6.046 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.468 0.350 6.290 1.00 0.00 C ATOM 0 H THR A 13 -0.737 2.620 3.072 1.00 0.00 H new ATOM 0 HA THR A 13 0.919 1.167 5.147 1.00 0.00 H new ATOM 0 HB THR A 13 -2.080 1.590 4.641 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.796 3.339 5.797 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.373 0.540 6.866 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.582 -0.578 5.730 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.619 0.263 6.967 1.00 0.00 H new ATOM 209 N VAL A 14 0.960 -0.868 3.747 1.00 0.00 N ATOM 210 CA VAL A 14 0.914 -2.162 3.010 1.00 0.00 C ATOM 211 C VAL A 14 1.068 -3.335 3.980 1.00 0.00 C ATOM 212 O VAL A 14 0.936 -3.187 5.179 1.00 0.00 O ATOM 213 CB VAL A 14 2.101 -2.108 2.051 1.00 0.00 C ATOM 214 CG1 VAL A 14 1.967 -0.886 1.142 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.397 -2.005 2.857 1.00 0.00 C ATOM 0 H VAL A 14 1.836 -0.676 4.232 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.033 -2.305 2.489 1.00 0.00 H new ATOM 0 HB VAL A 14 2.120 -3.012 1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.814 -0.847 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.042 -0.957 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.950 0.019 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.247 -1.966 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.377 -1.100 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.492 -2.875 3.506 1.00 0.00 H new ATOM 225 N VAL A 15 1.348 -4.501 3.466 1.00 0.00 N ATOM 226 CA VAL A 15 1.514 -5.689 4.351 1.00 0.00 C ATOM 227 C VAL A 15 2.858 -6.366 4.073 1.00 0.00 C ATOM 228 O VAL A 15 3.008 -7.099 3.115 1.00 0.00 O ATOM 229 CB VAL A 15 0.362 -6.622 3.983 1.00 0.00 C ATOM 230 CG1 VAL A 15 0.619 -8.007 4.578 1.00 0.00 C ATOM 231 CG2 VAL A 15 -0.947 -6.064 4.544 1.00 0.00 C ATOM 0 H VAL A 15 1.469 -4.683 2.470 1.00 0.00 H new ATOM 0 HA VAL A 15 1.501 -5.423 5.408 1.00 0.00 H new ATOM 0 HB VAL A 15 0.290 -6.698 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.203 -8.674 4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.552 -8.407 4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.691 -7.929 5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.769 -6.730 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.875 -5.988 5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.132 -5.076 4.122 1.00 0.00 H new ATOM 241 N TYR A 16 3.837 -6.127 4.901 1.00 0.00 N ATOM 242 CA TYR A 16 5.169 -6.758 4.680 1.00 0.00 C ATOM 243 C TYR A 16 5.242 -8.106 5.403 1.00 0.00 C ATOM 244 O TYR A 16 5.057 -8.191 6.601 1.00 0.00 O ATOM 245 CB TYR A 16 6.177 -5.775 5.274 1.00 0.00 C ATOM 246 CG TYR A 16 7.568 -6.168 4.841 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.970 -5.967 3.516 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.456 -6.735 5.764 1.00 0.00 C ATOM 249 CE1 TYR A 16 9.259 -6.333 3.112 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.745 -7.101 5.360 1.00 0.00 C ATOM 251 CZ TYR A 16 10.147 -6.900 4.034 1.00 0.00 C ATOM 252 OH TYR A 16 11.418 -7.261 3.636 1.00 0.00 O ATOM 0 H TYR A 16 3.773 -5.523 5.720 1.00 0.00 H new ATOM 0 HA TYR A 16 5.364 -6.953 3.625 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.953 -4.761 4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.108 -5.777 6.362 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.285 -5.529 2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.146 -6.890 6.787 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.569 -6.178 2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.430 -7.539 6.071 1.00 0.00 H new ATOM 0 HH TYR A 16 11.596 -6.899 2.743 1.00 0.00 H new ATOM 262 N GLN A 17 5.511 -9.159 4.683 1.00 0.00 N ATOM 263 CA GLN A 17 5.598 -10.501 5.321 1.00 0.00 C ATOM 264 C GLN A 17 4.330 -10.788 6.133 1.00 0.00 C ATOM 265 O GLN A 17 4.352 -11.532 7.093 1.00 0.00 O ATOM 266 CB GLN A 17 6.822 -10.426 6.232 1.00 0.00 C ATOM 267 CG GLN A 17 8.079 -10.749 5.421 1.00 0.00 C ATOM 268 CD GLN A 17 9.222 -9.834 5.862 1.00 0.00 C ATOM 269 OE1 GLN A 17 9.117 -9.148 6.859 1.00 0.00 O ATOM 270 NE2 GLN A 17 10.319 -9.794 5.155 1.00 0.00 N ATOM 0 H GLN A 17 5.675 -9.147 3.676 1.00 0.00 H new ATOM 0 HA GLN A 17 5.687 -11.303 4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.903 -9.431 6.669 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.718 -11.129 7.058 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.359 -11.793 5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.882 -10.615 4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.407 -10.370 4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.088 -9.187 5.440 1.00 0.00 H new ATOM 279 N GLY A 18 3.227 -10.212 5.746 1.00 0.00 N ATOM 280 CA GLY A 18 1.955 -10.459 6.484 1.00 0.00 C ATOM 281 C GLY A 18 1.840 -9.499 7.672 1.00 0.00 C ATOM 282 O GLY A 18 1.100 -9.741 8.605 1.00 0.00 O ATOM 0 H GLY A 18 3.150 -9.580 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.105 -10.325 5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.924 -11.490 6.836 1.00 0.00 H new ATOM 286 N GLU A 19 2.560 -8.411 7.649 1.00 0.00 N ATOM 287 CA GLU A 19 2.479 -7.444 8.783 1.00 0.00 C ATOM 288 C GLU A 19 2.138 -6.044 8.266 1.00 0.00 C ATOM 289 O GLU A 19 2.809 -5.508 7.409 1.00 0.00 O ATOM 290 CB GLU A 19 3.867 -7.457 9.420 1.00 0.00 C ATOM 291 CG GLU A 19 3.950 -8.590 10.445 1.00 0.00 C ATOM 292 CD GLU A 19 5.247 -9.375 10.241 1.00 0.00 C ATOM 293 OE1 GLU A 19 6.280 -8.902 10.687 1.00 0.00 O ATOM 294 OE2 GLU A 19 5.186 -10.437 9.643 1.00 0.00 O ATOM 0 H GLU A 19 3.199 -8.149 6.898 1.00 0.00 H new ATOM 0 HA GLU A 19 1.702 -7.715 9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.629 -7.591 8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.066 -6.500 9.903 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.915 -8.183 11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.092 -9.253 10.339 1.00 0.00 H new ATOM 301 N ARG A 20 1.100 -5.447 8.785 1.00 0.00 N ATOM 302 CA ARG A 20 0.718 -4.082 8.324 1.00 0.00 C ATOM 303 C ARG A 20 1.796 -3.073 8.729 1.00 0.00 C ATOM 304 O ARG A 20 2.251 -3.057 9.856 1.00 0.00 O ATOM 305 CB ARG A 20 -0.599 -3.772 9.036 1.00 0.00 C ATOM 306 CG ARG A 20 -1.770 -4.284 8.195 1.00 0.00 C ATOM 307 CD ARG A 20 -2.409 -5.489 8.890 1.00 0.00 C ATOM 308 NE ARG A 20 -2.762 -5.004 10.253 1.00 0.00 N ATOM 309 CZ ARG A 20 -2.257 -5.588 11.305 1.00 0.00 C ATOM 310 NH1 ARG A 20 -2.079 -6.881 11.312 1.00 0.00 N ATOM 311 NH2 ARG A 20 -1.932 -4.880 12.351 1.00 0.00 N ATOM 0 H ARG A 20 0.500 -5.845 9.508 1.00 0.00 H new ATOM 0 HA ARG A 20 0.615 -4.026 7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.612 -4.242 10.019 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.694 -2.698 9.195 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.509 -3.494 8.062 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.422 -4.566 7.201 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.293 -5.832 8.352 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.717 -6.330 8.937 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.399 -4.215 10.364 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.335 -7.435 10.495 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.684 -7.337 12.135 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.073 -3.870 12.347 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.537 -5.337 13.173 1.00 0.00 H new ATOM 325 N VAL A 21 2.208 -2.232 7.821 1.00 0.00 N ATOM 326 CA VAL A 21 3.257 -1.228 8.158 1.00 0.00 C ATOM 327 C VAL A 21 3.207 -0.061 7.169 1.00 0.00 C ATOM 328 O VAL A 21 2.736 -0.195 6.058 1.00 0.00 O ATOM 329 CB VAL A 21 4.579 -1.985 8.028 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.735 -2.951 9.205 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.582 -2.775 6.719 1.00 0.00 C ATOM 0 H VAL A 21 1.864 -2.196 6.861 1.00 0.00 H new ATOM 0 HA VAL A 21 3.124 -0.805 9.154 1.00 0.00 H new ATOM 0 HB VAL A 21 5.406 -1.275 8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.678 -3.490 9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.729 -2.390 10.139 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.909 -3.662 9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.523 -3.316 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.754 -3.484 6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.471 -2.089 5.880 1.00 0.00 H new ATOM 341 N LYS A 22 3.690 1.084 7.567 1.00 0.00 N ATOM 342 CA LYS A 22 3.670 2.261 6.652 1.00 0.00 C ATOM 343 C LYS A 22 5.016 2.393 5.934 1.00 0.00 C ATOM 344 O LYS A 22 6.066 2.228 6.524 1.00 0.00 O ATOM 345 CB LYS A 22 3.423 3.464 7.560 1.00 0.00 C ATOM 346 CG LYS A 22 1.932 3.550 7.894 1.00 0.00 C ATOM 347 CD LYS A 22 1.289 4.673 7.078 1.00 0.00 C ATOM 348 CE LYS A 22 0.319 5.453 7.967 1.00 0.00 C ATOM 349 NZ LYS A 22 -1.026 5.208 7.377 1.00 0.00 N ATOM 0 H LYS A 22 4.098 1.256 8.486 1.00 0.00 H new ATOM 0 HA LYS A 22 2.906 2.173 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.007 3.369 8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.750 4.379 7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.444 2.601 7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.798 3.738 8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.058 5.340 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.760 4.258 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.366 5.108 9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.559 6.516 7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.760 5.473 8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.136 5.780 6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.122 4.200 7.139 1.00 0.00 H new ATOM 363 N ILE A 23 4.992 2.690 4.663 1.00 0.00 N ATOM 364 CA ILE A 23 6.268 2.831 3.904 1.00 0.00 C ATOM 365 C ILE A 23 7.015 4.088 4.356 1.00 0.00 C ATOM 366 O ILE A 23 8.221 4.182 4.237 1.00 0.00 O ATOM 367 CB ILE A 23 5.844 2.955 2.441 1.00 0.00 C ATOM 368 CG1 ILE A 23 7.074 2.821 1.540 1.00 0.00 C ATOM 369 CG2 ILE A 23 5.194 4.321 2.213 1.00 0.00 C ATOM 370 CD1 ILE A 23 6.647 2.285 0.172 1.00 0.00 C ATOM 0 H ILE A 23 4.144 2.841 4.117 1.00 0.00 H new ATOM 0 HA ILE A 23 6.941 1.988 4.064 1.00 0.00 H new ATOM 0 HB ILE A 23 5.130 2.167 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.563 3.789 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.801 2.148 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.891 4.410 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.318 4.419 2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.909 5.108 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.522 2.189 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.178 1.309 0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.936 2.975 -0.283 1.00 0.00 H new ATOM 382 N GLN A 24 6.309 5.055 4.873 1.00 0.00 N ATOM 383 CA GLN A 24 6.980 6.304 5.330 1.00 0.00 C ATOM 384 C GLN A 24 7.995 5.981 6.431 1.00 0.00 C ATOM 385 O GLN A 24 9.022 6.621 6.550 1.00 0.00 O ATOM 386 CB GLN A 24 5.854 7.180 5.878 1.00 0.00 C ATOM 387 CG GLN A 24 5.356 6.600 7.203 1.00 0.00 C ATOM 388 CD GLN A 24 4.020 7.246 7.574 1.00 0.00 C ATOM 389 OE1 GLN A 24 3.739 8.358 7.172 1.00 0.00 O ATOM 390 NE2 GLN A 24 3.179 6.593 8.328 1.00 0.00 N ATOM 0 H GLN A 24 5.297 5.034 4.999 1.00 0.00 H new ATOM 0 HA GLN A 24 7.526 6.800 4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.211 8.199 6.026 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.035 7.230 5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.238 5.520 7.118 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.089 6.780 7.989 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.415 5.660 8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.286 7.016 8.580 1.00 0.00 H new ATOM 399 N GLU A 25 7.714 4.994 7.238 1.00 0.00 N ATOM 400 CA GLU A 25 8.661 4.630 8.332 1.00 0.00 C ATOM 401 C GLU A 25 9.331 3.286 8.031 1.00 0.00 C ATOM 402 O GLU A 25 10.538 3.192 7.932 1.00 0.00 O ATOM 403 CB GLU A 25 7.795 4.528 9.587 1.00 0.00 C ATOM 404 CG GLU A 25 7.120 5.875 9.857 1.00 0.00 C ATOM 405 CD GLU A 25 7.348 6.278 11.315 1.00 0.00 C ATOM 406 OE1 GLU A 25 8.490 6.252 11.745 1.00 0.00 O ATOM 407 OE2 GLU A 25 6.378 6.605 11.978 1.00 0.00 O ATOM 0 H GLU A 25 6.870 4.424 7.187 1.00 0.00 H new ATOM 0 HA GLU A 25 9.460 5.363 8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.041 3.751 9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.408 4.239 10.441 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.525 6.637 9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.052 5.806 9.651 1.00 0.00 H new ATOM 414 N LYS A 26 8.556 2.244 7.888 1.00 0.00 N ATOM 415 CA LYS A 26 9.149 0.908 7.597 1.00 0.00 C ATOM 416 C LYS A 26 10.164 1.014 6.456 1.00 0.00 C ATOM 417 O LYS A 26 11.092 0.235 6.362 1.00 0.00 O ATOM 418 CB LYS A 26 7.968 0.031 7.183 1.00 0.00 C ATOM 419 CG LYS A 26 8.467 -1.378 6.858 1.00 0.00 C ATOM 420 CD LYS A 26 8.952 -2.055 8.141 1.00 0.00 C ATOM 421 CE LYS A 26 10.205 -2.881 7.839 1.00 0.00 C ATOM 422 NZ LYS A 26 9.789 -4.298 8.036 1.00 0.00 N ATOM 0 H LYS A 26 7.539 2.261 7.960 1.00 0.00 H new ATOM 0 HA LYS A 26 9.680 0.498 8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.232 -0.009 7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.469 0.461 6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.667 -1.963 6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.277 -1.330 6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.172 -1.304 8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.169 -2.697 8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.554 -2.710 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.024 -2.614 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.624 -4.916 7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.343 -4.402 8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.110 -4.567 7.296 1.00 0.00 H new ATOM 436 N PHE A 27 9.997 1.973 5.588 1.00 0.00 N ATOM 437 CA PHE A 27 10.952 2.127 4.455 1.00 0.00 C ATOM 438 C PHE A 27 11.454 3.571 4.380 1.00 0.00 C ATOM 439 O PHE A 27 11.673 4.111 3.315 1.00 0.00 O ATOM 440 CB PHE A 27 10.143 1.774 3.205 1.00 0.00 C ATOM 441 CG PHE A 27 9.900 0.283 3.168 1.00 0.00 C ATOM 442 CD1 PHE A 27 10.983 -0.600 3.087 1.00 0.00 C ATOM 443 CD2 PHE A 27 8.592 -0.214 3.213 1.00 0.00 C ATOM 444 CE1 PHE A 27 10.758 -1.981 3.052 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.368 -1.596 3.178 1.00 0.00 C ATOM 446 CZ PHE A 27 9.451 -2.480 3.097 1.00 0.00 C ATOM 0 H PHE A 27 9.241 2.657 5.614 1.00 0.00 H new ATOM 0 HA PHE A 27 11.830 1.491 4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.193 2.308 3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.680 2.088 2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 27 11.992 -0.216 3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.757 0.468 3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.594 -2.662 2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.359 -1.980 3.214 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.278 -3.546 3.069 1.00 0.00 H new ATOM 456 N LYS A 28 11.637 4.202 5.509 1.00 0.00 N ATOM 457 CA LYS A 28 12.124 5.613 5.508 1.00 0.00 C ATOM 458 C LYS A 28 13.263 5.783 4.499 1.00 0.00 C ATOM 459 O LYS A 28 13.462 6.847 3.948 1.00 0.00 O ATOM 460 CB LYS A 28 12.627 5.859 6.929 1.00 0.00 C ATOM 461 CG LYS A 28 11.932 7.093 7.509 1.00 0.00 C ATOM 462 CD LYS A 28 11.574 6.837 8.973 1.00 0.00 C ATOM 463 CE LYS A 28 12.352 7.805 9.866 1.00 0.00 C ATOM 464 NZ LYS A 28 11.485 8.008 11.060 1.00 0.00 N ATOM 0 H LYS A 28 11.470 3.802 6.432 1.00 0.00 H new ATOM 0 HA LYS A 28 11.342 6.317 5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.426 4.988 7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.707 6.005 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.585 7.962 7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.032 7.318 6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.502 6.967 9.124 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.811 5.808 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.320 7.391 10.147 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.545 8.747 9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.952 8.662 11.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.573 8.409 10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.325 7.095 11.532 1.00 0.00 H new ATOM 478 N ASN A 29 14.011 4.743 4.253 1.00 0.00 N ATOM 479 CA ASN A 29 15.135 4.849 3.281 1.00 0.00 C ATOM 480 C ASN A 29 14.833 4.013 2.033 1.00 0.00 C ATOM 481 O ASN A 29 15.695 3.343 1.498 1.00 0.00 O ATOM 482 CB ASN A 29 16.353 4.295 4.021 1.00 0.00 C ATOM 483 CG ASN A 29 17.034 5.422 4.800 1.00 0.00 C ATOM 484 OD1 ASN A 29 16.308 6.229 5.526 1.00 0.00 O flip ATOM 485 ND2 ASN A 29 18.238 5.571 4.749 1.00 0.00 N flip ATOM 0 H ASN A 29 13.893 3.825 4.683 1.00 0.00 H new ATOM 0 HA ASN A 29 15.297 5.873 2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.048 3.501 4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.053 3.854 3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.806 4.941 4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.681 6.326 5.273 1.00 0.00 H new ATOM 492 N GLY A 30 13.616 4.051 1.564 1.00 0.00 N ATOM 493 CA GLY A 30 13.257 3.264 0.350 1.00 0.00 C ATOM 494 C GLY A 30 13.073 1.791 0.725 1.00 0.00 C ATOM 495 O GLY A 30 13.343 1.385 1.837 1.00 0.00 O ATOM 0 H GLY A 30 12.854 4.594 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.339 3.654 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.039 3.362 -0.403 1.00 0.00 H new ATOM 499 N MET A 31 12.615 0.992 -0.199 1.00 0.00 N ATOM 500 CA MET A 31 12.411 -0.457 0.096 1.00 0.00 C ATOM 501 C MET A 31 13.566 -1.279 -0.481 1.00 0.00 C ATOM 502 O MET A 31 14.275 -0.838 -1.361 1.00 0.00 O ATOM 503 CB MET A 31 11.096 -0.819 -0.598 1.00 0.00 C ATOM 504 CG MET A 31 9.984 0.111 -0.108 1.00 0.00 C ATOM 505 SD MET A 31 8.433 -0.815 0.016 1.00 0.00 S ATOM 506 CE MET A 31 7.776 -0.377 -1.613 1.00 0.00 C ATOM 0 H MET A 31 12.373 1.279 -1.147 1.00 0.00 H new ATOM 0 HA MET A 31 12.378 -0.662 1.166 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.207 -0.731 -1.679 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.836 -1.856 -0.387 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.248 0.531 0.863 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.866 0.948 -0.796 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.765 0.015 -1.504 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.412 0.381 -2.070 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.755 -1.263 -2.247 1.00 0.00 H new ATOM 516 N LEU A 32 13.760 -2.475 0.006 1.00 0.00 N ATOM 517 CA LEU A 32 14.870 -3.321 -0.522 1.00 0.00 C ATOM 518 C LEU A 32 14.465 -3.943 -1.861 1.00 0.00 C ATOM 519 O LEU A 32 13.298 -4.028 -2.189 1.00 0.00 O ATOM 520 CB LEU A 32 15.082 -4.406 0.535 1.00 0.00 C ATOM 521 CG LEU A 32 15.913 -3.840 1.687 1.00 0.00 C ATOM 522 CD1 LEU A 32 17.207 -3.236 1.140 1.00 0.00 C ATOM 523 CD2 LEU A 32 15.110 -2.754 2.405 1.00 0.00 C ATOM 0 H LEU A 32 13.200 -2.902 0.744 1.00 0.00 H new ATOM 0 HA LEU A 32 15.780 -2.747 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.120 -4.760 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.589 -5.264 0.094 1.00 0.00 H new ATOM 0 HG LEU A 32 16.155 -4.640 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.797 -2.833 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.780 -4.008 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.967 -2.436 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.700 -2.349 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.869 -1.956 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.188 -3.183 2.797 1.00 0.00 H new ATOM 535 N HIS A 33 15.419 -4.377 -2.641 1.00 0.00 N ATOM 536 CA HIS A 33 15.080 -4.990 -3.959 1.00 0.00 C ATOM 537 C HIS A 33 14.384 -6.338 -3.754 1.00 0.00 C ATOM 538 O HIS A 33 14.817 -7.159 -2.970 1.00 0.00 O ATOM 539 CB HIS A 33 16.422 -5.180 -4.667 1.00 0.00 C ATOM 540 CG HIS A 33 16.223 -6.011 -5.907 1.00 0.00 C ATOM 541 ND1 HIS A 33 15.547 -5.534 -7.019 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.607 -7.291 -6.225 1.00 0.00 C ATOM 543 CE1 HIS A 33 15.546 -6.511 -7.944 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.178 -7.605 -7.511 1.00 0.00 N ATOM 0 H HIS A 33 16.415 -4.334 -2.424 1.00 0.00 H new ATOM 0 HA HIS A 33 14.399 -4.368 -4.539 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.847 -4.211 -4.930 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.132 -5.668 -3.999 1.00 0.00 H new ATOM 0 HD2 HIS A 33 17.159 -7.954 -5.575 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.089 -6.421 -8.919 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.316 -8.481 -8.014 1.00 0.00 H new ATOM 552 N GLY A 34 13.312 -6.574 -4.461 1.00 0.00 N ATOM 553 CA GLY A 34 12.594 -7.872 -4.315 1.00 0.00 C ATOM 554 C GLY A 34 11.591 -7.792 -3.159 1.00 0.00 C ATOM 555 O GLY A 34 10.733 -8.640 -3.015 1.00 0.00 O ATOM 0 H GLY A 34 12.903 -5.925 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.074 -8.115 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.309 -8.674 -4.131 1.00 0.00 H new ATOM 559 N ASP A 35 11.689 -6.786 -2.334 1.00 0.00 N ATOM 560 CA ASP A 35 10.736 -6.669 -1.191 1.00 0.00 C ATOM 561 C ASP A 35 9.301 -6.917 -1.666 1.00 0.00 C ATOM 562 O ASP A 35 8.912 -6.502 -2.739 1.00 0.00 O ATOM 563 CB ASP A 35 10.893 -5.234 -0.683 1.00 0.00 C ATOM 564 CG ASP A 35 11.625 -5.247 0.659 1.00 0.00 C ATOM 565 OD1 ASP A 35 12.159 -6.286 1.010 1.00 0.00 O ATOM 566 OD2 ASP A 35 11.639 -4.218 1.314 1.00 0.00 O ATOM 0 H ASP A 35 12.384 -6.042 -2.400 1.00 0.00 H new ATOM 0 HA ASP A 35 10.942 -7.401 -0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.449 -4.639 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.914 -4.767 -0.571 1.00 0.00 H new ATOM 571 N LYS A 36 8.512 -7.590 -0.872 1.00 0.00 N ATOM 572 CA LYS A 36 7.102 -7.862 -1.279 1.00 0.00 C ATOM 573 C LYS A 36 6.135 -7.205 -0.291 1.00 0.00 C ATOM 574 O LYS A 36 6.241 -7.380 0.908 1.00 0.00 O ATOM 575 CB LYS A 36 6.961 -9.383 -1.237 1.00 0.00 C ATOM 576 CG LYS A 36 7.284 -9.964 -2.616 1.00 0.00 C ATOM 577 CD LYS A 36 6.433 -11.214 -2.857 1.00 0.00 C ATOM 578 CE LYS A 36 7.237 -12.229 -3.673 1.00 0.00 C ATOM 579 NZ LYS A 36 6.358 -13.427 -3.774 1.00 0.00 N ATOM 0 H LYS A 36 8.781 -7.963 0.039 1.00 0.00 H new ATOM 0 HA LYS A 36 6.872 -7.461 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.634 -9.801 -0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.948 -9.657 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.087 -9.222 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.343 -10.215 -2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.134 -11.652 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.519 -10.948 -3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.483 -11.836 -4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.180 -12.472 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.842 -14.168 -4.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.146 -13.784 -2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.471 -13.168 -4.251 1.00 0.00 H new ATOM 593 N VAL A 37 5.192 -6.453 -0.785 1.00 0.00 N ATOM 594 CA VAL A 37 4.217 -5.784 0.123 1.00 0.00 C ATOM 595 C VAL A 37 2.813 -5.845 -0.482 1.00 0.00 C ATOM 596 O VAL A 37 2.636 -5.695 -1.674 1.00 0.00 O ATOM 597 CB VAL A 37 4.697 -4.336 0.222 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.044 -4.294 0.948 1.00 0.00 C ATOM 599 CG2 VAL A 37 4.861 -3.757 -1.185 1.00 0.00 C ATOM 0 H VAL A 37 5.053 -6.272 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 37 4.165 -6.262 1.101 1.00 0.00 H new ATOM 0 HB VAL A 37 3.966 -3.748 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.387 -3.262 1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.930 -4.708 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.775 -4.882 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.203 -2.724 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.593 -4.346 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.904 -3.788 -1.705 1.00 0.00 H new ATOM 609 N SER A 38 1.813 -6.067 0.326 1.00 0.00 N ATOM 610 CA SER A 38 0.426 -6.143 -0.216 1.00 0.00 C ATOM 611 C SER A 38 -0.302 -4.813 -0.004 1.00 0.00 C ATOM 612 O SER A 38 -0.237 -4.217 1.053 1.00 0.00 O ATOM 613 CB SER A 38 -0.250 -7.256 0.584 1.00 0.00 C ATOM 614 OG SER A 38 0.743 -8.120 1.120 1.00 0.00 O ATOM 0 H SER A 38 1.895 -6.199 1.334 1.00 0.00 H new ATOM 0 HA SER A 38 0.413 -6.343 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.849 -6.829 1.388 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.930 -7.818 -0.056 1.00 0.00 H new ATOM 0 HG SER A 38 0.538 -9.046 0.873 1.00 0.00 H new ATOM 620 N PHE A 39 -1.002 -4.347 -1.002 1.00 0.00 N ATOM 621 CA PHE A 39 -1.740 -3.060 -0.861 1.00 0.00 C ATOM 622 C PHE A 39 -3.215 -3.333 -0.565 1.00 0.00 C ATOM 623 O PHE A 39 -3.823 -4.209 -1.143 1.00 0.00 O ATOM 624 CB PHE A 39 -1.581 -2.359 -2.209 1.00 0.00 C ATOM 625 CG PHE A 39 -0.233 -1.684 -2.264 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.891 -2.396 -2.699 1.00 0.00 C ATOM 627 CD2 PHE A 39 -0.106 -0.345 -1.876 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.142 -1.768 -2.746 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.143 0.283 -1.924 1.00 0.00 C ATOM 630 CZ PHE A 39 2.267 -0.428 -2.358 1.00 0.00 C ATOM 0 H PHE A 39 -1.095 -4.803 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.358 -2.450 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.672 -3.081 -3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.374 -1.624 -2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.794 -3.429 -2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.973 0.204 -1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.010 -2.317 -3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.240 1.317 -1.626 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.232 0.057 -2.394 1.00 0.00 H new ATOM 640 N PHE A 40 -3.794 -2.595 0.339 1.00 0.00 N ATOM 641 CA PHE A 40 -5.225 -2.826 0.676 1.00 0.00 C ATOM 642 C PHE A 40 -6.138 -2.184 -0.371 1.00 0.00 C ATOM 643 O PHE A 40 -5.958 -1.045 -0.754 1.00 0.00 O ATOM 644 CB PHE A 40 -5.423 -2.157 2.035 1.00 0.00 C ATOM 645 CG PHE A 40 -5.009 -3.111 3.129 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.872 -4.140 3.525 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.761 -2.967 3.748 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.487 -5.024 4.540 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.377 -3.851 4.762 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.239 -4.880 5.159 1.00 0.00 C ATOM 0 H PHE A 40 -3.340 -1.844 0.858 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.472 -3.887 0.698 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.832 -1.243 2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.467 -1.871 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.834 -4.252 3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.095 -2.174 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.153 -5.817 4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.414 -3.739 5.239 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.942 -5.562 5.942 1.00 0.00 H new ATOM 660 N CYS A 41 -7.126 -2.906 -0.826 1.00 0.00 N ATOM 661 CA CYS A 41 -8.065 -2.341 -1.837 1.00 0.00 C ATOM 662 C CYS A 41 -9.495 -2.782 -1.517 1.00 0.00 C ATOM 663 O CYS A 41 -9.711 -3.794 -0.879 1.00 0.00 O ATOM 664 CB CYS A 41 -7.611 -2.917 -3.179 1.00 0.00 C ATOM 665 SG CYS A 41 -6.781 -1.626 -4.138 1.00 0.00 S ATOM 0 H CYS A 41 -7.324 -3.865 -0.540 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.057 -1.251 -1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.935 -3.756 -3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.469 -3.301 -3.731 1.00 0.00 H new ATOM 670 N LYS A 42 -10.472 -2.035 -1.947 1.00 0.00 N ATOM 671 CA LYS A 42 -11.883 -2.419 -1.655 1.00 0.00 C ATOM 672 C LYS A 42 -12.488 -3.182 -2.834 1.00 0.00 C ATOM 673 O LYS A 42 -12.171 -2.933 -3.979 1.00 0.00 O ATOM 674 CB LYS A 42 -12.627 -1.103 -1.434 1.00 0.00 C ATOM 675 CG LYS A 42 -12.413 -0.181 -2.637 1.00 0.00 C ATOM 676 CD LYS A 42 -11.711 1.096 -2.176 1.00 0.00 C ATOM 677 CE LYS A 42 -12.582 1.809 -1.138 1.00 0.00 C ATOM 678 NZ LYS A 42 -12.985 3.087 -1.788 1.00 0.00 N ATOM 0 H LYS A 42 -10.357 -1.177 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.950 -3.074 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.691 -1.295 -1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.269 -0.620 -0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.814 -0.686 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.370 0.063 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.738 0.855 -1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.530 1.752 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.453 1.209 -0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.029 1.992 -0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.585 3.633 -1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.136 3.640 -2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.515 2.881 -2.659 1.00 0.00 H new ATOM 692 N ASN A 43 -13.362 -4.106 -2.553 1.00 0.00 N ATOM 693 CA ASN A 43 -14.003 -4.890 -3.647 1.00 0.00 C ATOM 694 C ASN A 43 -15.492 -4.547 -3.733 1.00 0.00 C ATOM 695 O ASN A 43 -16.174 -4.450 -2.733 1.00 0.00 O ATOM 696 CB ASN A 43 -13.814 -6.355 -3.250 1.00 0.00 C ATOM 697 CG ASN A 43 -14.105 -7.250 -4.457 1.00 0.00 C ATOM 698 OD1 ASN A 43 -14.939 -6.928 -5.280 1.00 0.00 O ATOM 699 ND2 ASN A 43 -13.449 -8.370 -4.597 1.00 0.00 N ATOM 0 H ASN A 43 -13.662 -4.354 -1.610 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.567 -4.674 -4.622 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.795 -6.520 -2.898 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.481 -6.609 -2.426 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.637 -8.974 -5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.749 -8.641 -3.906 1.00 0.00 H new ATOM 706 N LYS A 44 -16.002 -4.362 -4.919 1.00 0.00 N ATOM 707 CA LYS A 44 -17.445 -4.026 -5.061 1.00 0.00 C ATOM 708 C LYS A 44 -18.277 -5.307 -5.148 1.00 0.00 C ATOM 709 O LYS A 44 -19.299 -5.440 -4.504 1.00 0.00 O ATOM 710 CB LYS A 44 -17.540 -3.229 -6.363 1.00 0.00 C ATOM 711 CG LYS A 44 -17.061 -1.797 -6.115 1.00 0.00 C ATOM 712 CD LYS A 44 -17.631 -0.872 -7.191 1.00 0.00 C ATOM 713 CE LYS A 44 -16.695 0.323 -7.384 1.00 0.00 C ATOM 714 NZ LYS A 44 -17.147 1.329 -6.382 1.00 0.00 N ATOM 0 H LYS A 44 -15.482 -4.429 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.825 -3.459 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.932 -3.699 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.568 -3.223 -6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -17.379 -1.462 -5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.972 -1.760 -6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.744 -1.415 -8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.623 -0.527 -6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.655 0.041 -7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.762 0.718 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.553 2.180 -6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.138 1.583 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.066 0.928 -5.426 1.00 0.00 H new ATOM 728 N GLU A 45 -17.845 -6.253 -5.935 1.00 0.00 N ATOM 729 CA GLU A 45 -18.607 -7.529 -6.056 1.00 0.00 C ATOM 730 C GLU A 45 -18.743 -8.189 -4.681 1.00 0.00 C ATOM 731 O GLU A 45 -19.792 -8.685 -4.321 1.00 0.00 O ATOM 732 CB GLU A 45 -17.771 -8.400 -6.994 1.00 0.00 C ATOM 733 CG GLU A 45 -17.665 -7.723 -8.362 1.00 0.00 C ATOM 734 CD GLU A 45 -16.746 -8.544 -9.270 1.00 0.00 C ATOM 735 OE1 GLU A 45 -16.166 -9.500 -8.783 1.00 0.00 O ATOM 736 OE2 GLU A 45 -16.637 -8.203 -10.436 1.00 0.00 O ATOM 0 H GLU A 45 -16.997 -6.198 -6.500 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.617 -7.378 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.777 -8.554 -6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.229 -9.384 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.653 -7.634 -8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.274 -6.712 -8.250 1.00 0.00 H new ATOM 743 N LYS A 46 -17.690 -8.195 -3.909 1.00 0.00 N ATOM 744 CA LYS A 46 -17.760 -8.818 -2.556 1.00 0.00 C ATOM 745 C LYS A 46 -18.104 -7.755 -1.506 1.00 0.00 C ATOM 746 O LYS A 46 -18.566 -8.061 -0.425 1.00 0.00 O ATOM 747 CB LYS A 46 -16.365 -9.391 -2.309 1.00 0.00 C ATOM 748 CG LYS A 46 -16.046 -10.440 -3.378 1.00 0.00 C ATOM 749 CD LYS A 46 -15.144 -11.523 -2.780 1.00 0.00 C ATOM 750 CE LYS A 46 -15.466 -12.873 -3.428 1.00 0.00 C ATOM 751 NZ LYS A 46 -15.479 -13.848 -2.301 1.00 0.00 N ATOM 0 H LYS A 46 -16.785 -7.796 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.529 -9.588 -2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.623 -8.593 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.315 -9.841 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.968 -10.886 -3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.552 -9.969 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.097 -11.270 -2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.293 -11.581 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.429 -12.846 -3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.718 -13.141 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.693 -14.798 -2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.547 -13.857 -1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.206 -13.571 -1.610 1.00 0.00 H new ATOM 765 N LYS A 47 -17.893 -6.506 -1.827 1.00 0.00 N ATOM 766 CA LYS A 47 -18.215 -5.410 -0.863 1.00 0.00 C ATOM 767 C LYS A 47 -17.262 -5.432 0.337 1.00 0.00 C ATOM 768 O LYS A 47 -17.618 -5.027 1.426 1.00 0.00 O ATOM 769 CB LYS A 47 -19.650 -5.678 -0.403 1.00 0.00 C ATOM 770 CG LYS A 47 -20.503 -6.130 -1.592 1.00 0.00 C ATOM 771 CD LYS A 47 -21.883 -5.474 -1.510 1.00 0.00 C ATOM 772 CE LYS A 47 -22.115 -4.613 -2.754 1.00 0.00 C ATOM 773 NZ LYS A 47 -23.421 -3.939 -2.517 1.00 0.00 N ATOM 0 H LYS A 47 -17.510 -6.195 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.109 -4.430 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.656 -6.445 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -20.074 -4.776 0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -20.015 -5.858 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.604 -7.215 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -22.657 -6.238 -1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.953 -4.860 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.314 -3.886 -2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -22.144 -5.223 -3.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -23.649 -3.330 -3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -24.166 -4.656 -2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -23.362 -3.360 -1.655 1.00 0.00 H new ATOM 787 N CYS A 48 -16.055 -5.887 0.150 1.00 0.00 N ATOM 788 CA CYS A 48 -15.088 -5.917 1.292 1.00 0.00 C ATOM 789 C CYS A 48 -13.703 -5.487 0.813 1.00 0.00 C ATOM 790 O CYS A 48 -13.468 -5.311 -0.366 1.00 0.00 O ATOM 791 CB CYS A 48 -15.017 -7.369 1.788 1.00 0.00 C ATOM 792 SG CYS A 48 -16.546 -8.277 1.432 1.00 0.00 S ATOM 0 H CYS A 48 -15.694 -6.238 -0.737 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.410 -5.241 2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.175 -7.874 1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.831 -7.378 2.862 1.00 0.00 H new ATOM 797 N SER A 49 -12.776 -5.332 1.717 1.00 0.00 N ATOM 798 CA SER A 49 -11.402 -4.935 1.310 1.00 0.00 C ATOM 799 C SER A 49 -10.503 -6.171 1.256 1.00 0.00 C ATOM 800 O SER A 49 -10.866 -7.239 1.712 1.00 0.00 O ATOM 801 CB SER A 49 -10.924 -3.967 2.392 1.00 0.00 C ATOM 802 OG SER A 49 -9.910 -4.589 3.172 1.00 0.00 O ATOM 0 H SER A 49 -12.912 -5.463 2.719 1.00 0.00 H new ATOM 0 HA SER A 49 -11.378 -4.474 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.538 -3.056 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.759 -3.675 3.028 1.00 0.00 H new ATOM 0 HG SER A 49 -9.971 -4.276 4.098 1.00 0.00 H new ATOM 808 N TYR A 50 -9.333 -6.026 0.707 1.00 0.00 N ATOM 809 CA TYR A 50 -8.393 -7.183 0.622 1.00 0.00 C ATOM 810 C TYR A 50 -6.962 -6.683 0.399 1.00 0.00 C ATOM 811 O TYR A 50 -6.708 -5.496 0.397 1.00 0.00 O ATOM 812 CB TYR A 50 -8.873 -8.006 -0.575 1.00 0.00 C ATOM 813 CG TYR A 50 -8.917 -7.137 -1.809 1.00 0.00 C ATOM 814 CD1 TYR A 50 -7.726 -6.735 -2.425 1.00 0.00 C ATOM 815 CD2 TYR A 50 -10.150 -6.735 -2.339 1.00 0.00 C ATOM 816 CE1 TYR A 50 -7.767 -5.933 -3.571 1.00 0.00 C ATOM 817 CE2 TYR A 50 -10.191 -5.933 -3.485 1.00 0.00 C ATOM 818 CZ TYR A 50 -8.999 -5.531 -4.101 1.00 0.00 C ATOM 819 OH TYR A 50 -9.039 -4.740 -5.232 1.00 0.00 O ATOM 0 H TYR A 50 -8.982 -5.154 0.311 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.383 -7.775 1.537 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.205 -8.851 -0.738 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.862 -8.416 -0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.775 -7.044 -2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.069 -7.044 -1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.848 -5.624 -4.047 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.141 -5.624 -3.894 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.145 -4.382 -5.413 1.00 0.00 H new ATOM 829 N THR A 51 -6.026 -7.574 0.213 1.00 0.00 N ATOM 830 CA THR A 51 -4.615 -7.134 -0.006 1.00 0.00 C ATOM 831 C THR A 51 -4.129 -7.553 -1.394 1.00 0.00 C ATOM 832 O THR A 51 -4.539 -8.561 -1.934 1.00 0.00 O ATOM 833 CB THR A 51 -3.796 -7.839 1.076 1.00 0.00 C ATOM 834 OG1 THR A 51 -4.176 -9.207 1.140 1.00 0.00 O ATOM 835 CG2 THR A 51 -4.052 -7.171 2.429 1.00 0.00 C ATOM 0 H THR A 51 -6.174 -8.583 0.203 1.00 0.00 H new ATOM 0 HA THR A 51 -4.519 -6.050 0.050 1.00 0.00 H new ATOM 0 HB THR A 51 -2.736 -7.768 0.834 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.651 -9.660 1.832 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.468 -7.674 3.200 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.759 -6.122 2.378 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.112 -7.240 2.674 1.00 0.00 H new ATOM 843 N GLU A 52 -3.246 -6.785 -1.967 1.00 0.00 N ATOM 844 CA GLU A 52 -2.709 -7.123 -3.314 1.00 0.00 C ATOM 845 C GLU A 52 -1.183 -7.186 -3.245 1.00 0.00 C ATOM 846 O GLU A 52 -0.502 -6.219 -3.523 1.00 0.00 O ATOM 847 CB GLU A 52 -3.163 -5.981 -4.222 1.00 0.00 C ATOM 848 CG GLU A 52 -4.341 -6.447 -5.081 1.00 0.00 C ATOM 849 CD GLU A 52 -4.770 -5.316 -6.017 1.00 0.00 C ATOM 850 OE1 GLU A 52 -4.240 -4.225 -5.878 1.00 0.00 O ATOM 851 OE2 GLU A 52 -5.619 -5.559 -6.858 1.00 0.00 O ATOM 0 H GLU A 52 -2.870 -5.930 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.061 -8.087 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.456 -5.120 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.339 -5.660 -4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.057 -7.325 -5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.175 -6.742 -4.444 1.00 0.00 H new ATOM 858 N ASP A 53 -0.646 -8.311 -2.856 1.00 0.00 N ATOM 859 CA ASP A 53 0.835 -8.439 -2.744 1.00 0.00 C ATOM 860 C ASP A 53 1.535 -7.706 -3.889 1.00 0.00 C ATOM 861 O ASP A 53 1.057 -7.662 -5.004 1.00 0.00 O ATOM 862 CB ASP A 53 1.117 -9.935 -2.821 1.00 0.00 C ATOM 863 CG ASP A 53 0.447 -10.644 -1.642 1.00 0.00 C ATOM 864 OD1 ASP A 53 0.335 -10.029 -0.594 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.059 -11.788 -1.807 1.00 0.00 O ATOM 0 H ASP A 53 -1.172 -9.150 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 53 1.206 -7.999 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.742 -10.338 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.192 -10.114 -2.803 1.00 0.00 H new ATOM 870 N ALA A 54 2.671 -7.135 -3.610 1.00 0.00 N ATOM 871 CA ALA A 54 3.427 -6.399 -4.664 1.00 0.00 C ATOM 872 C ALA A 54 4.912 -6.765 -4.588 1.00 0.00 C ATOM 873 O ALA A 54 5.330 -7.516 -3.729 1.00 0.00 O ATOM 874 CB ALA A 54 3.223 -4.920 -4.337 1.00 0.00 C ATOM 0 H ALA A 54 3.113 -7.145 -2.691 1.00 0.00 H new ATOM 0 HA ALA A 54 3.086 -6.643 -5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.750 -4.309 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.159 -4.684 -4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.614 -4.710 -3.341 1.00 0.00 H new ATOM 880 N GLN A 55 5.713 -6.246 -5.478 1.00 0.00 N ATOM 881 CA GLN A 55 7.168 -6.577 -5.443 1.00 0.00 C ATOM 882 C GLN A 55 8.011 -5.337 -5.752 1.00 0.00 C ATOM 883 O GLN A 55 7.588 -4.446 -6.461 1.00 0.00 O ATOM 884 CB GLN A 55 7.362 -7.637 -6.527 1.00 0.00 C ATOM 885 CG GLN A 55 8.605 -8.468 -6.208 1.00 0.00 C ATOM 886 CD GLN A 55 8.944 -9.360 -7.404 1.00 0.00 C ATOM 887 OE1 GLN A 55 8.157 -9.492 -8.320 1.00 0.00 O ATOM 888 NE2 GLN A 55 10.091 -9.981 -7.435 1.00 0.00 N ATOM 0 H GLN A 55 5.427 -5.611 -6.223 1.00 0.00 H new ATOM 0 HA GLN A 55 7.480 -6.932 -4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.485 -8.281 -6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.470 -7.161 -7.502 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.445 -7.812 -5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.429 -9.080 -5.323 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.752 -9.870 -6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.327 -10.577 -8.228 1.00 0.00 H new ATOM 897 N CYS A 56 9.204 -5.278 -5.225 1.00 0.00 N ATOM 898 CA CYS A 56 10.082 -4.103 -5.488 1.00 0.00 C ATOM 899 C CYS A 56 11.231 -4.508 -6.416 1.00 0.00 C ATOM 900 O CYS A 56 11.637 -5.652 -6.452 1.00 0.00 O ATOM 901 CB CYS A 56 10.614 -3.698 -4.114 1.00 0.00 C ATOM 902 SG CYS A 56 10.383 -1.919 -3.878 1.00 0.00 S ATOM 0 H CYS A 56 9.609 -5.995 -4.622 1.00 0.00 H new ATOM 0 HA CYS A 56 9.553 -3.284 -5.976 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.092 -4.250 -3.333 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.671 -3.952 -4.032 1.00 0.00 H new ATOM 907 N ILE A 57 11.755 -3.583 -7.170 1.00 0.00 N ATOM 908 CA ILE A 57 12.870 -3.925 -8.098 1.00 0.00 C ATOM 909 C ILE A 57 13.934 -2.818 -8.101 1.00 0.00 C ATOM 910 O ILE A 57 13.752 -1.762 -7.527 1.00 0.00 O ATOM 911 CB ILE A 57 12.215 -4.048 -9.477 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.446 -5.368 -9.558 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.291 -4.021 -10.563 1.00 0.00 C ATOM 914 CD1 ILE A 57 9.947 -5.095 -9.427 1.00 0.00 C ATOM 0 H ILE A 57 11.461 -2.606 -7.185 1.00 0.00 H new ATOM 0 HA ILE A 57 13.379 -4.843 -7.803 1.00 0.00 H new ATOM 0 HB ILE A 57 11.529 -3.214 -9.627 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.654 -5.865 -10.506 1.00 0.00 H new ATOM 0 HG13 ILE A 57 11.774 -6.041 -8.766 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.821 -4.109 -11.543 1.00 0.00 H new ATOM 0 HG22 ILE A 57 13.841 -3.082 -10.507 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.979 -4.853 -10.414 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.399 -6.036 -9.485 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.747 -4.617 -8.468 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.625 -4.438 -10.235 1.00 0.00 H new ATOM 926 N ASP A 58 15.045 -3.070 -8.738 1.00 0.00 N ATOM 927 CA ASP A 58 16.155 -2.069 -8.797 1.00 0.00 C ATOM 928 C ASP A 58 15.637 -0.625 -8.828 1.00 0.00 C ATOM 929 O ASP A 58 15.421 -0.053 -9.878 1.00 0.00 O ATOM 930 CB ASP A 58 16.887 -2.390 -10.099 1.00 0.00 C ATOM 931 CG ASP A 58 18.263 -1.724 -10.091 1.00 0.00 C ATOM 932 OD1 ASP A 58 19.140 -2.229 -9.409 1.00 0.00 O ATOM 933 OD2 ASP A 58 18.417 -0.720 -10.765 1.00 0.00 O ATOM 0 H ASP A 58 15.236 -3.943 -9.230 1.00 0.00 H new ATOM 0 HA ASP A 58 16.791 -2.134 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.995 -3.469 -10.211 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.306 -2.037 -10.951 1.00 0.00 H new ATOM 938 N GLY A 59 15.467 -0.023 -7.682 1.00 0.00 N ATOM 939 CA GLY A 59 14.999 1.395 -7.630 1.00 0.00 C ATOM 940 C GLY A 59 13.674 1.567 -8.376 1.00 0.00 C ATOM 941 O GLY A 59 13.244 2.675 -8.631 1.00 0.00 O ATOM 0 H GLY A 59 15.633 -0.454 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.878 1.703 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.754 2.047 -8.069 1.00 0.00 H new ATOM 945 N THR A 60 13.013 0.501 -8.727 1.00 0.00 N ATOM 946 CA THR A 60 11.717 0.650 -9.448 1.00 0.00 C ATOM 947 C THR A 60 10.679 -0.313 -8.878 1.00 0.00 C ATOM 948 O THR A 60 10.946 -1.475 -8.674 1.00 0.00 O ATOM 949 CB THR A 60 12.020 0.296 -10.900 1.00 0.00 C ATOM 950 OG1 THR A 60 13.179 0.999 -11.329 1.00 0.00 O ATOM 951 CG2 THR A 60 10.829 0.685 -11.778 1.00 0.00 C ATOM 0 H THR A 60 13.309 -0.459 -8.549 1.00 0.00 H new ATOM 0 HA THR A 60 11.311 1.657 -9.349 1.00 0.00 H new ATOM 0 HB THR A 60 12.197 -0.776 -10.984 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.979 0.560 -10.972 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.044 0.432 -12.816 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.942 0.143 -11.449 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.651 1.757 -11.695 1.00 0.00 H new ATOM 959 N ILE A 61 9.493 0.159 -8.630 1.00 0.00 N ATOM 960 CA ILE A 61 8.439 -0.740 -8.081 1.00 0.00 C ATOM 961 C ILE A 61 7.130 -0.541 -8.845 1.00 0.00 C ATOM 962 O ILE A 61 6.718 0.568 -9.120 1.00 0.00 O ATOM 963 CB ILE A 61 8.286 -0.346 -6.612 1.00 0.00 C ATOM 964 CG1 ILE A 61 6.961 -0.886 -6.071 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.314 1.179 -6.468 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.204 -1.571 -4.726 1.00 0.00 C ATOM 0 H ILE A 61 9.206 1.126 -8.782 1.00 0.00 H new ATOM 0 HA ILE A 61 8.704 -1.793 -8.180 1.00 0.00 H new ATOM 0 HB ILE A 61 9.113 -0.772 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.245 -0.073 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.527 -1.593 -6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.204 1.447 -5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.263 1.563 -6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.495 1.614 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.261 -1.957 -4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.906 -2.394 -4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.619 -0.851 -4.021 1.00 0.00 H new ATOM 978 N GLU A 62 6.481 -1.614 -9.194 1.00 0.00 N ATOM 979 CA GLU A 62 5.199 -1.504 -9.948 1.00 0.00 C ATOM 980 C GLU A 62 4.010 -1.687 -9.005 1.00 0.00 C ATOM 981 O GLU A 62 3.406 -2.740 -8.949 1.00 0.00 O ATOM 982 CB GLU A 62 5.247 -2.635 -10.974 1.00 0.00 C ATOM 983 CG GLU A 62 5.888 -2.126 -12.266 1.00 0.00 C ATOM 984 CD GLU A 62 4.792 -1.679 -13.237 1.00 0.00 C ATOM 985 OE1 GLU A 62 4.044 -2.530 -13.687 1.00 0.00 O ATOM 986 OE2 GLU A 62 4.720 -0.493 -13.511 1.00 0.00 O ATOM 0 H GLU A 62 6.782 -2.567 -8.990 1.00 0.00 H new ATOM 0 HA GLU A 62 5.081 -0.528 -10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.818 -3.475 -10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.240 -3.001 -11.175 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.558 -1.294 -12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.492 -2.912 -12.719 1.00 0.00 H new ATOM 993 N VAL A 63 3.666 -0.669 -8.266 1.00 0.00 N ATOM 994 CA VAL A 63 2.514 -0.783 -7.331 1.00 0.00 C ATOM 995 C VAL A 63 1.345 -1.500 -8.031 1.00 0.00 C ATOM 996 O VAL A 63 1.247 -1.478 -9.242 1.00 0.00 O ATOM 997 CB VAL A 63 2.173 0.673 -6.959 1.00 0.00 C ATOM 998 CG1 VAL A 63 0.885 1.138 -7.652 1.00 0.00 C ATOM 999 CG2 VAL A 63 1.999 0.780 -5.441 1.00 0.00 C ATOM 0 H VAL A 63 4.134 0.237 -8.270 1.00 0.00 H new ATOM 0 HA VAL A 63 2.733 -1.371 -6.440 1.00 0.00 H new ATOM 0 HB VAL A 63 2.991 1.312 -7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.672 2.169 -7.369 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.011 1.077 -8.733 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.056 0.499 -7.347 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.758 1.809 -5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.191 0.123 -5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.925 0.485 -4.947 1.00 0.00 H new ATOM 1009 N PRO A 64 0.498 -2.117 -7.247 1.00 0.00 N ATOM 1010 CA PRO A 64 -0.666 -2.847 -7.805 1.00 0.00 C ATOM 1011 C PRO A 64 -1.585 -1.891 -8.572 1.00 0.00 C ATOM 1012 O PRO A 64 -1.960 -0.845 -8.080 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.357 -3.389 -6.551 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.553 -2.948 -5.312 1.00 0.00 C ATOM 1015 CD PRO A 64 0.653 -2.120 -5.774 1.00 0.00 C ATOM 0 HA PRO A 64 -0.393 -3.627 -8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.379 -3.014 -6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.418 -4.476 -6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.182 -2.359 -4.644 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.219 -3.820 -4.749 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.633 -1.111 -5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.596 -2.571 -5.467 1.00 0.00 H new ATOM 1023 N LYS A 65 -1.948 -2.241 -9.776 1.00 0.00 N ATOM 1024 CA LYS A 65 -2.840 -1.351 -10.574 1.00 0.00 C ATOM 1025 C LYS A 65 -3.963 -0.797 -9.692 1.00 0.00 C ATOM 1026 O LYS A 65 -4.290 0.371 -9.750 1.00 0.00 O ATOM 1027 CB LYS A 65 -3.412 -2.247 -11.672 1.00 0.00 C ATOM 1028 CG LYS A 65 -2.762 -1.891 -13.011 1.00 0.00 C ATOM 1029 CD LYS A 65 -3.775 -1.158 -13.891 1.00 0.00 C ATOM 1030 CE LYS A 65 -3.275 0.261 -14.169 1.00 0.00 C ATOM 1031 NZ LYS A 65 -3.001 0.292 -15.632 1.00 0.00 N ATOM 0 H LYS A 65 -1.666 -3.104 -10.241 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.308 -0.493 -10.984 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.229 -3.295 -11.434 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.493 -2.119 -11.735 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.886 -1.264 -12.847 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.417 -2.796 -13.512 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.915 -1.696 -14.829 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.745 -1.123 -13.396 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.022 1.004 -13.891 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.376 0.483 -13.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.654 1.235 -15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.281 -0.421 -15.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.876 0.084 -16.154 1.00 0.00 H new ATOM 1045 N CYS A 66 -4.555 -1.625 -8.875 1.00 0.00 N ATOM 1046 CA CYS A 66 -5.654 -1.139 -7.991 1.00 0.00 C ATOM 1047 C CYS A 66 -5.244 0.174 -7.321 1.00 0.00 C ATOM 1048 O CYS A 66 -6.059 1.047 -7.094 1.00 0.00 O ATOM 1049 CB CYS A 66 -5.842 -2.240 -6.946 1.00 0.00 C ATOM 1050 SG CYS A 66 -7.382 -1.954 -6.038 1.00 0.00 S ATOM 0 H CYS A 66 -4.326 -2.615 -8.781 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.574 -0.943 -8.542 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.869 -3.216 -7.431 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.998 -2.250 -6.257 1.00 0.00 H new ATOM 1055 N PHE A 67 -3.987 0.323 -7.006 1.00 0.00 N ATOM 1056 CA PHE A 67 -3.524 1.582 -6.356 1.00 0.00 C ATOM 1057 C PHE A 67 -3.006 2.560 -7.415 1.00 0.00 C ATOM 1058 O PHE A 67 -2.441 2.164 -8.415 1.00 0.00 O ATOM 1059 CB PHE A 67 -2.394 1.151 -5.421 1.00 0.00 C ATOM 1060 CG PHE A 67 -1.986 2.320 -4.555 1.00 0.00 C ATOM 1061 CD1 PHE A 67 -2.673 2.583 -3.365 1.00 0.00 C ATOM 1062 CD2 PHE A 67 -0.920 3.139 -4.945 1.00 0.00 C ATOM 1063 CE1 PHE A 67 -2.294 3.666 -2.562 1.00 0.00 C ATOM 1064 CE2 PHE A 67 -0.541 4.223 -4.143 1.00 0.00 C ATOM 1065 CZ PHE A 67 -1.228 4.487 -2.953 1.00 0.00 C ATOM 0 H PHE A 67 -3.260 -0.373 -7.171 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.324 2.091 -5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.721 0.319 -4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.541 0.799 -6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.496 1.951 -3.066 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.390 2.935 -5.864 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.823 3.868 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.282 4.855 -4.443 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.937 5.324 -2.336 1.00 0.00 H new ATOM 1075 N LYS A 68 -3.195 3.834 -7.205 1.00 0.00 N ATOM 1076 CA LYS A 68 -2.714 4.835 -8.201 1.00 0.00 C ATOM 1077 C LYS A 68 -2.078 6.030 -7.484 1.00 0.00 C ATOM 1078 O LYS A 68 -2.745 6.985 -7.137 1.00 0.00 O ATOM 1079 CB LYS A 68 -3.967 5.270 -8.963 1.00 0.00 C ATOM 1080 CG LYS A 68 -3.582 5.707 -10.379 1.00 0.00 C ATOM 1081 CD LYS A 68 -4.582 5.129 -11.382 1.00 0.00 C ATOM 1082 CE LYS A 68 -5.931 5.832 -11.224 1.00 0.00 C ATOM 1083 NZ LYS A 68 -6.533 5.824 -12.587 1.00 0.00 N ATOM 0 H LYS A 68 -3.662 4.226 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.955 4.424 -8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.682 4.448 -9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.457 6.091 -8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.572 6.795 -10.445 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.575 5.364 -10.615 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.210 5.259 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.698 4.057 -11.219 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.567 5.310 -10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.805 6.850 -10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.462 6.290 -12.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.910 6.334 -13.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.648 4.842 -12.910 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.794 5.983 -7.262 1.00 0.00 N ATOM 1098 CA GLU A 69 -0.115 7.115 -6.569 1.00 0.00 C ATOM 1099 C GLU A 69 -0.207 8.386 -7.416 1.00 0.00 C ATOM 1100 O GLU A 69 0.681 8.697 -8.185 1.00 0.00 O ATOM 1101 CB GLU A 69 1.343 6.674 -6.422 1.00 0.00 C ATOM 1102 CG GLU A 69 1.953 6.457 -7.808 1.00 0.00 C ATOM 1103 CD GLU A 69 2.723 5.136 -7.827 1.00 0.00 C ATOM 1104 OE1 GLU A 69 2.273 4.201 -7.184 1.00 0.00 O ATOM 1105 OE2 GLU A 69 3.748 5.079 -8.486 1.00 0.00 O ATOM 0 H GLU A 69 -0.185 5.210 -7.530 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.572 7.341 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.910 7.430 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.399 5.754 -5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.168 6.443 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.620 7.282 -8.056 1.00 0.00 H new ATOM 1112 N HIS A 70 -1.276 9.124 -7.284 1.00 0.00 N ATOM 1113 CA HIS A 70 -1.423 10.374 -8.084 1.00 0.00 C ATOM 1114 C HIS A 70 -0.912 11.576 -7.286 1.00 0.00 C ATOM 1115 O HIS A 70 -0.266 12.456 -7.816 1.00 0.00 O ATOM 1116 CB HIS A 70 -2.923 10.505 -8.345 1.00 0.00 C ATOM 1117 CG HIS A 70 -3.173 10.542 -9.827 1.00 0.00 C ATOM 1118 ND1 HIS A 70 -4.197 9.822 -10.422 1.00 0.00 N ATOM 1119 CD2 HIS A 70 -2.540 11.207 -10.847 1.00 0.00 C ATOM 1120 CE1 HIS A 70 -4.150 10.069 -11.743 1.00 0.00 C ATOM 1121 NE2 HIS A 70 -3.159 10.908 -12.056 1.00 0.00 N ATOM 0 H HIS A 70 -2.053 8.916 -6.657 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.850 10.340 -9.010 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -3.456 9.666 -7.897 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.306 11.412 -7.878 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.690 11.863 -10.729 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.831 9.641 -12.464 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.910 11.255 -12.982 1.00 0.00 H new ATOM 1129 N SER A 71 -1.199 11.619 -6.013 1.00 0.00 N ATOM 1130 CA SER A 71 -0.730 12.766 -5.182 1.00 0.00 C ATOM 1131 C SER A 71 -0.685 12.363 -3.706 1.00 0.00 C ATOM 1132 O SER A 71 -0.826 11.206 -3.365 1.00 0.00 O ATOM 1133 CB SER A 71 -1.763 13.868 -5.407 1.00 0.00 C ATOM 1134 OG SER A 71 -1.915 14.092 -6.802 1.00 0.00 O ATOM 0 H SER A 71 -1.737 10.911 -5.513 1.00 0.00 H new ATOM 0 HA SER A 71 0.275 13.090 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.718 13.582 -4.967 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.446 14.786 -4.912 1.00 0.00 H new ATOM 0 HG SER A 71 -1.110 13.789 -7.272 1.00 0.00 H new ATOM 1140 N SER A 72 -0.489 13.307 -2.829 1.00 0.00 N ATOM 1141 CA SER A 72 -0.433 12.973 -1.377 1.00 0.00 C ATOM 1142 C SER A 72 -1.839 13.000 -0.772 1.00 0.00 C ATOM 1143 O SER A 72 -2.378 11.982 -0.385 1.00 0.00 O ATOM 1144 CB SER A 72 0.439 14.061 -0.753 1.00 0.00 C ATOM 1145 OG SER A 72 -0.019 15.335 -1.185 1.00 0.00 O ATOM 0 H SER A 72 -0.365 14.294 -3.053 1.00 0.00 H new ATOM 0 HA SER A 72 -0.030 11.976 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.398 13.997 0.334 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.480 13.919 -1.042 1.00 0.00 H new ATOM 0 HG SER A 72 0.537 16.036 -0.785 1.00 0.00 H new ATOM 1151 N LEU A 73 -2.437 14.157 -0.686 1.00 0.00 N ATOM 1152 CA LEU A 73 -3.806 14.244 -0.104 1.00 0.00 C ATOM 1153 C LEU A 73 -4.753 14.960 -1.070 1.00 0.00 C ATOM 1154 O LEU A 73 -4.921 16.162 -1.014 1.00 0.00 O ATOM 1155 CB LEU A 73 -3.638 15.057 1.180 1.00 0.00 C ATOM 1156 CG LEU A 73 -3.313 14.117 2.343 1.00 0.00 C ATOM 1157 CD1 LEU A 73 -1.850 14.294 2.753 1.00 0.00 C ATOM 1158 CD2 LEU A 73 -4.217 14.448 3.532 1.00 0.00 C ATOM 0 H LEU A 73 -2.038 15.044 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.235 13.260 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.840 15.789 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.551 15.613 1.393 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.480 13.086 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.621 13.624 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.204 14.059 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.681 15.325 3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.987 13.779 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.049 15.480 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.260 14.321 3.242 1.00 0.00 H new ATOM 1170 N ALA A 74 -5.376 14.230 -1.953 1.00 0.00 N ATOM 1171 CA ALA A 74 -6.317 14.868 -2.918 1.00 0.00 C ATOM 1172 C ALA A 74 -7.567 15.355 -2.181 1.00 0.00 C ATOM 1173 O ALA A 74 -7.889 16.526 -2.189 1.00 0.00 O ATOM 1174 CB ALA A 74 -6.678 13.761 -3.910 1.00 0.00 C ATOM 0 H ALA A 74 -5.275 13.220 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.879 15.733 -3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.370 14.152 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.774 13.407 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.148 12.934 -3.377 1.00 0.00 H new ATOM 1180 N PHE A 75 -8.265 14.462 -1.538 1.00 0.00 N ATOM 1181 CA PHE A 75 -9.491 14.862 -0.791 1.00 0.00 C ATOM 1182 C PHE A 75 -9.834 13.796 0.251 1.00 0.00 C ATOM 1183 O PHE A 75 -8.976 13.069 0.713 1.00 0.00 O ATOM 1184 CB PHE A 75 -10.592 14.958 -1.848 1.00 0.00 C ATOM 1185 CG PHE A 75 -11.204 16.338 -1.814 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -11.766 16.825 -0.627 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -11.207 17.131 -2.967 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -12.332 18.105 -0.594 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -11.775 18.411 -2.934 1.00 0.00 C ATOM 1190 CZ PHE A 75 -12.335 18.898 -1.748 1.00 0.00 C ATOM 0 H PHE A 75 -8.039 13.468 -1.497 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.364 15.804 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -10.180 14.755 -2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -11.357 14.205 -1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.763 16.213 0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.772 16.756 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.766 18.481 0.321 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.781 19.022 -3.824 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.770 19.886 -1.723 1.00 0.00 H new ATOM 1200 N TRP A 76 -11.078 13.692 0.626 1.00 0.00 N ATOM 1201 CA TRP A 76 -11.462 12.668 1.640 1.00 0.00 C ATOM 1202 C TRP A 76 -12.072 11.444 0.954 1.00 0.00 C ATOM 1203 O TRP A 76 -13.075 11.536 0.278 1.00 0.00 O ATOM 1204 CB TRP A 76 -12.490 13.356 2.530 1.00 0.00 C ATOM 1205 CG TRP A 76 -11.854 13.668 3.845 1.00 0.00 C ATOM 1206 CD1 TRP A 76 -10.913 14.616 4.043 1.00 0.00 C ATOM 1207 CD2 TRP A 76 -12.084 13.042 5.137 1.00 0.00 C ATOM 1208 NE1 TRP A 76 -10.558 14.621 5.380 1.00 0.00 N ATOM 1209 CE2 TRP A 76 -11.253 13.667 6.095 1.00 0.00 C ATOM 1210 CE3 TRP A 76 -12.928 12.005 5.566 1.00 0.00 C ATOM 1211 CZ2 TRP A 76 -11.260 13.277 7.435 1.00 0.00 C ATOM 1212 CZ3 TRP A 76 -12.938 11.607 6.914 1.00 0.00 C ATOM 1213 CH2 TRP A 76 -12.106 12.244 7.846 1.00 0.00 C ATOM 0 H TRP A 76 -11.844 14.269 0.277 1.00 0.00 H new ATOM 0 HA TRP A 76 -10.605 12.313 2.212 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -12.847 14.271 2.057 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -13.357 12.711 2.673 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.504 15.264 3.282 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -9.868 15.252 5.787 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -13.574 11.510 4.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -10.616 13.770 8.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -13.589 10.807 7.233 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -12.119 11.936 8.881 1.00 0.00 H new ATOM 1224 N LYS A 77 -11.471 10.298 1.120 1.00 0.00 N ATOM 1225 CA LYS A 77 -12.018 9.072 0.472 1.00 0.00 C ATOM 1226 C LYS A 77 -11.813 7.850 1.371 1.00 0.00 C ATOM 1227 O LYS A 77 -12.645 6.966 1.430 1.00 0.00 O ATOM 1228 CB LYS A 77 -11.219 8.921 -0.822 1.00 0.00 C ATOM 1229 CG LYS A 77 -12.168 8.565 -1.966 1.00 0.00 C ATOM 1230 CD LYS A 77 -11.357 8.235 -3.221 1.00 0.00 C ATOM 1231 CE LYS A 77 -11.552 9.343 -4.257 1.00 0.00 C ATOM 1232 NZ LYS A 77 -10.306 9.331 -5.073 1.00 0.00 N ATOM 0 H LYS A 77 -10.627 10.157 1.675 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.090 9.150 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.692 9.848 -1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.463 8.144 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.787 7.713 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.843 9.398 -2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.301 8.138 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.676 7.277 -3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.430 9.156 -4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.700 10.310 -3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.365 10.066 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.487 9.519 -4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.195 8.400 -5.523 1.00 0.00 H new ATOM 1246 N THR A 78 -10.710 7.787 2.066 1.00 0.00 N ATOM 1247 CA THR A 78 -10.460 6.614 2.952 1.00 0.00 C ATOM 1248 C THR A 78 -10.762 5.319 2.193 1.00 0.00 C ATOM 1249 O THR A 78 -11.863 4.806 2.236 1.00 0.00 O ATOM 1250 CB THR A 78 -11.422 6.789 4.126 1.00 0.00 C ATOM 1251 OG1 THR A 78 -11.068 7.957 4.856 1.00 0.00 O ATOM 1252 CG2 THR A 78 -11.338 5.568 5.041 1.00 0.00 C ATOM 0 H THR A 78 -9.974 8.493 2.059 1.00 0.00 H new ATOM 0 HA THR A 78 -9.424 6.556 3.287 1.00 0.00 H new ATOM 0 HB THR A 78 -12.441 6.890 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.685 8.072 5.609 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.024 5.693 5.878 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.609 4.674 4.480 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.320 5.465 5.418 1.00 0.00 H new ATOM 1260 N ASP A 79 -9.797 4.792 1.491 1.00 0.00 N ATOM 1261 CA ASP A 79 -10.033 3.537 0.718 1.00 0.00 C ATOM 1262 C ASP A 79 -9.773 2.304 1.590 1.00 0.00 C ATOM 1263 O ASP A 79 -9.793 2.370 2.802 1.00 0.00 O ATOM 1264 CB ASP A 79 -9.036 3.596 -0.438 1.00 0.00 C ATOM 1265 CG ASP A 79 -7.614 3.438 0.104 1.00 0.00 C ATOM 1266 OD1 ASP A 79 -7.092 4.406 0.633 1.00 0.00 O ATOM 1267 OD2 ASP A 79 -7.070 2.353 -0.021 1.00 0.00 O ATOM 0 H ASP A 79 -8.855 5.175 1.418 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.063 3.458 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.251 2.807 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.132 4.545 -0.966 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.532 1.179 0.970 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.271 -0.074 1.740 1.00 0.00 C ATOM 1274 C ALA A 80 -8.409 0.216 2.972 1.00 0.00 C ATOM 1275 O ALA A 80 -8.478 -0.479 3.966 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.513 -0.973 0.767 1.00 0.00 C ATOM 0 H ALA A 80 -9.504 1.073 -0.044 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.192 -0.531 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.280 -1.920 1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.130 -1.159 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.588 -0.483 0.464 1.00 0.00 H new ATOM 1282 N SER A 81 -7.592 1.229 2.907 1.00 0.00 N ATOM 1283 CA SER A 81 -6.716 1.561 4.067 1.00 0.00 C ATOM 1284 C SER A 81 -7.476 1.406 5.389 1.00 0.00 C ATOM 1285 O SER A 81 -6.888 1.168 6.425 1.00 0.00 O ATOM 1286 CB SER A 81 -6.310 3.017 3.852 1.00 0.00 C ATOM 1287 OG SER A 81 -6.159 3.653 5.114 1.00 0.00 O ATOM 0 H SER A 81 -7.492 1.844 2.099 1.00 0.00 H new ATOM 0 HA SER A 81 -5.854 0.897 4.126 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.376 3.067 3.292 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.065 3.534 3.259 1.00 0.00 H new ATOM 0 HG SER A 81 -7.028 3.988 5.418 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.775 1.544 5.371 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.548 1.408 6.640 1.00 0.00 C ATOM 1295 C ASP A 82 -10.831 0.602 6.416 1.00 0.00 C ATOM 1296 O ASP A 82 -11.817 0.787 7.102 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.884 2.841 7.048 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.635 3.518 7.616 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.756 3.845 6.834 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.577 3.697 8.821 1.00 0.00 O ATOM 0 H ASP A 82 -9.331 1.743 4.539 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.981 0.879 7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.252 3.398 6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.680 2.841 7.792 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.829 -0.294 5.470 1.00 0.00 N ATOM 1306 CA VAL A 83 -12.054 -1.111 5.220 1.00 0.00 C ATOM 1307 C VAL A 83 -11.879 -2.515 5.802 1.00 0.00 C ATOM 1308 O VAL A 83 -10.780 -3.022 5.905 1.00 0.00 O ATOM 1309 CB VAL A 83 -12.200 -1.175 3.699 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.566 -1.761 3.343 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -12.089 0.238 3.121 1.00 0.00 C ATOM 0 H VAL A 83 -10.037 -0.497 4.860 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.937 -0.677 5.690 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.414 -1.805 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.671 -1.807 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.651 -2.765 3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.352 -1.129 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.193 0.197 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.878 0.864 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.117 0.660 3.377 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.955 -3.146 6.183 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.849 -4.517 6.757 1.00 0.00 C ATOM 1323 C LYS A 84 -12.711 -5.549 5.628 1.00 0.00 C ATOM 1324 O LYS A 84 -13.463 -5.514 4.674 1.00 0.00 O ATOM 1325 CB LYS A 84 -14.161 -4.729 7.514 1.00 0.00 C ATOM 1326 CG LYS A 84 -14.293 -3.681 8.622 1.00 0.00 C ATOM 1327 CD LYS A 84 -15.714 -3.714 9.189 1.00 0.00 C ATOM 1328 CE LYS A 84 -16.430 -2.404 8.851 1.00 0.00 C ATOM 1329 NZ LYS A 84 -16.891 -2.568 7.444 1.00 0.00 N ATOM 0 H LYS A 84 -13.902 -2.772 6.122 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.980 -4.630 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.004 -4.654 6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.187 -5.731 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.570 -3.879 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.070 -2.689 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.263 -4.559 8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.683 -3.855 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.270 -2.228 9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.759 -1.551 8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.392 -1.709 7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.070 -2.727 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.534 -3.383 7.382 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.759 -6.444 5.765 1.00 0.00 N ATOM 1344 CA PRO A 85 -11.546 -7.486 4.733 1.00 0.00 C ATOM 1345 C PRO A 85 -12.794 -8.364 4.607 1.00 0.00 C ATOM 1346 O PRO A 85 -13.483 -8.618 5.576 1.00 0.00 O ATOM 1347 CB PRO A 85 -10.364 -8.281 5.294 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.941 -7.658 6.639 1.00 0.00 C ATOM 1349 CD PRO A 85 -10.858 -6.466 6.942 1.00 0.00 C ATOM 0 HA PRO A 85 -11.356 -7.090 3.736 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.643 -9.325 5.433 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.531 -8.265 4.592 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -10.009 -8.399 7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.902 -7.333 6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.409 -6.605 7.872 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.296 -5.537 7.040 1.00 0.00 H new ATOM 1357 N CYS A 86 -13.099 -8.828 3.426 1.00 0.00 N ATOM 1358 CA CYS A 86 -14.310 -9.682 3.264 1.00 0.00 C ATOM 1359 C CYS A 86 -14.272 -10.844 4.260 1.00 0.00 C ATOM 1360 O CYS A 86 -13.188 -11.335 4.528 1.00 0.00 O ATOM 1361 CB CYS A 86 -14.247 -10.206 1.829 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.909 -10.169 1.110 1.00 0.00 S ATOM 1363 OXT CYS A 86 -15.330 -11.222 4.737 1.00 0.00 O ATOM 0 H CYS A 86 -12.567 -8.655 2.573 1.00 0.00 H new ATOM 0 HA CYS A 86 -15.230 -9.128 3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.567 -9.595 1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.855 -11.223 1.817 1.00 0.00 H new TER 1368 CYS A 86