USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 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 37 LYS NZ :NH3+ 148:sc= 1.11 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= 1.32 K(o=2.4,f=-3.2) USER MOD Set 2.1: A 11 CYS SG : rot -120:sc= -3.71! USER MOD Set 2.2: A 17 HIS : no HE2:sc= -0.578! C(o=-4.9!,f=-17!) USER MOD Set 2.3: A 20 MET CE :methyl -141:sc= -0.589 (180deg=-1.62) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0688 (180deg=-0.436) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 48:sc= 0.173 USER MOD Single : A 3 LYS NZ :NH3+ -144:sc= 0.583 (180deg=0.0876) USER MOD Single : A 4 LYS NZ :NH3+ 138:sc= 1.09 (180deg=-0.231) USER MOD Single : A 9 CYS SG : rot 40:sc= -0.619 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -24:sc= 0.298 USER MOD Single : A 23 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.013) USER MOD Single : A 34 TYR OH : rot -40:sc= -0.494 USER MOD Single : A 40 THR OG1 : rot -139:sc= -0.704 USER MOD Single : A 41 GLN :FLIP amide:sc= -4.44! C(o=-5.2!,f=-4.4!) USER MOD Single : A 47 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.0015) USER MOD Single : A 51 THR OG1 : rot -67:sc= 0.41 USER MOD Single : A 53 GLN : amide:sc= 0.0608 X(o=0.061,f=-0.26) USER MOD Single : A 59 THR OG1 : rot -150:sc= 0.164 USER MOD Single : A 63 HIS : no HD1:sc= 0.519 K(o=0.52,f=-2) USER MOD Single : A 64 SER OG : rot 88:sc= -1.78 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.709 K(o=0.71,f=-0.016) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -139:sc= -0.177 (180deg=-1.39) USER MOD Single : A 91 ASN : amide:sc= -0.421 K(o=-0.42,f=-1) USER MOD Single : A 97 LYS NZ :NH3+ 144:sc= 1.21 (180deg=0.0105) USER MOD Single : A 102 MET CE :methyl -176:sc= -1.47 (180deg=-1.62) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.021 X(o=0.021,f=-0.19) USER MOD Single : A 108 GLN : amide:sc=-0.00583 X(o=-0.0058,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.800 2.158 -1.521 1.00 0.00 N ATOM 2 CA MET A 1 3.400 0.736 -1.639 1.00 0.00 C ATOM 3 C MET A 1 4.565 -0.088 -2.218 1.00 0.00 C ATOM 4 O MET A 1 4.978 -1.086 -1.616 1.00 0.00 O ATOM 5 CB MET A 1 2.117 0.605 -2.514 1.00 0.00 C ATOM 6 CG MET A 1 1.467 -0.798 -2.547 1.00 0.00 C ATOM 7 SD MET A 1 2.431 -2.043 -3.443 1.00 0.00 S ATOM 8 CE MET A 1 2.436 -1.381 -5.114 1.00 0.00 C ATOM 0 H1 MET A 1 3.010 2.710 -1.130 1.00 0.00 H new ATOM 0 H2 MET A 1 4.623 2.236 -0.890 1.00 0.00 H new ATOM 0 H3 MET A 1 4.048 2.528 -2.461 1.00 0.00 H new ATOM 0 HA MET A 1 3.166 0.343 -0.650 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.378 1.319 -2.151 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.365 0.894 -3.535 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.315 -1.140 -1.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.481 -0.719 -3.006 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.701 -2.170 -5.817 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.445 -0.997 -5.356 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.165 -0.573 -5.183 1.00 0.00 H new ATOM 18 N SER A 2 5.092 0.330 -3.392 1.00 0.00 N ATOM 19 CA SER A 2 6.172 -0.399 -4.084 1.00 0.00 C ATOM 20 C SER A 2 7.527 -0.212 -3.359 1.00 0.00 C ATOM 21 O SER A 2 8.307 0.692 -3.677 1.00 0.00 O ATOM 22 CB SER A 2 6.245 0.037 -5.568 1.00 0.00 C ATOM 23 OG SER A 2 6.367 1.445 -5.695 1.00 0.00 O ATOM 0 H SER A 2 4.783 1.172 -3.879 1.00 0.00 H new ATOM 0 HA SER A 2 5.946 -1.465 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.095 -0.447 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.350 -0.300 -6.091 1.00 0.00 H new ATOM 0 HG SER A 2 7.067 1.769 -5.091 1.00 0.00 H new ATOM 29 N LYS A 3 7.759 -1.052 -2.340 1.00 0.00 N ATOM 30 CA LYS A 3 9.010 -1.064 -1.560 1.00 0.00 C ATOM 31 C LYS A 3 10.061 -1.955 -2.251 1.00 0.00 C ATOM 32 O LYS A 3 9.722 -2.833 -3.051 1.00 0.00 O ATOM 33 CB LYS A 3 8.739 -1.513 -0.100 1.00 0.00 C ATOM 34 CG LYS A 3 7.950 -2.823 0.033 1.00 0.00 C ATOM 35 CD LYS A 3 7.615 -3.174 1.507 1.00 0.00 C ATOM 36 CE LYS A 3 7.052 -4.592 1.637 1.00 0.00 C ATOM 37 NZ LYS A 3 6.728 -4.968 3.036 1.00 0.00 N ATOM 0 H LYS A 3 7.081 -1.748 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 3 9.412 -0.052 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.694 -1.626 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.192 -0.722 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.024 -2.744 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.527 -3.636 -0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.514 -3.082 2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.891 -2.458 1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.152 -4.676 1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.776 -5.301 1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.943 -5.975 3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.296 -4.393 3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.717 -4.800 3.215 1.00 0.00 H new ATOM 51 N LYS A 4 11.338 -1.742 -1.917 1.00 0.00 N ATOM 52 CA LYS A 4 12.465 -2.343 -2.649 1.00 0.00 C ATOM 53 C LYS A 4 13.584 -2.654 -1.638 1.00 0.00 C ATOM 54 O LYS A 4 13.923 -1.828 -0.799 1.00 0.00 O ATOM 55 CB LYS A 4 12.952 -1.360 -3.772 1.00 0.00 C ATOM 56 CG LYS A 4 13.498 -1.995 -5.076 1.00 0.00 C ATOM 57 CD LYS A 4 14.824 -2.753 -4.902 1.00 0.00 C ATOM 58 CE LYS A 4 15.287 -3.461 -6.186 1.00 0.00 C ATOM 59 NZ LYS A 4 15.371 -2.541 -7.345 1.00 0.00 N ATOM 0 H LYS A 4 11.622 -1.151 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 4 12.163 -3.270 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.119 -0.708 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.733 -0.726 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.750 -2.681 -5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.637 -1.209 -5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.596 -2.054 -4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.712 -3.491 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.263 -3.914 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.596 -4.271 -6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.235 -2.743 -7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.540 -2.675 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.397 -1.558 -7.007 1.00 0.00 H new ATOM 73 N LEU A 5 14.133 -3.854 -1.715 1.00 0.00 N ATOM 74 CA LEU A 5 15.257 -4.291 -0.894 1.00 0.00 C ATOM 75 C LEU A 5 16.383 -4.682 -1.826 1.00 0.00 C ATOM 76 O LEU A 5 16.165 -5.351 -2.838 1.00 0.00 O ATOM 77 CB LEU A 5 14.829 -5.471 0.024 1.00 0.00 C ATOM 78 CG LEU A 5 15.906 -6.040 1.020 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.218 -6.651 2.254 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.853 -7.090 0.373 1.00 0.00 C ATOM 0 H LEU A 5 13.805 -4.570 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 5 15.594 -3.489 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 5 13.967 -5.148 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.494 -6.289 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 5 16.528 -5.194 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 5 15.974 -7.041 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 5 14.633 -5.884 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.560 -7.461 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.570 -7.440 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.266 -7.934 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.387 -6.633 -0.460 1.00 0.00 H new ATOM 92 N ILE A 6 17.588 -4.242 -1.500 1.00 0.00 N ATOM 93 CA ILE A 6 18.793 -4.617 -2.223 1.00 0.00 C ATOM 94 C ILE A 6 19.820 -5.135 -1.215 1.00 0.00 C ATOM 95 O ILE A 6 19.700 -4.880 -0.005 1.00 0.00 O ATOM 96 CB ILE A 6 19.371 -3.420 -3.066 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.034 -2.342 -2.160 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.273 -2.789 -3.957 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.650 -1.183 -2.907 1.00 0.00 C ATOM 0 H ILE A 6 17.759 -3.609 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 6 18.550 -5.402 -2.940 1.00 0.00 H new ATOM 0 HB ILE A 6 20.148 -3.826 -3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.284 -1.955 -1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 6 20.806 -2.819 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.698 -1.964 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 6 17.882 -3.542 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.464 -2.416 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.088 -0.483 -2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.427 -1.553 -3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 6 19.881 -0.675 -3.489 1.00 0.00 H new ATOM 111 N ALA A 7 20.811 -5.868 -1.709 1.00 0.00 N ATOM 112 CA ALA A 7 21.887 -6.411 -0.875 1.00 0.00 C ATOM 113 C ALA A 7 23.156 -6.591 -1.706 1.00 0.00 C ATOM 114 O ALA A 7 23.119 -6.518 -2.932 1.00 0.00 O ATOM 115 CB ALA A 7 21.453 -7.732 -0.215 1.00 0.00 C ATOM 0 H ALA A 7 20.895 -6.105 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 7 22.104 -5.703 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.267 -8.117 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.578 -7.556 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.206 -8.460 -0.987 1.00 0.00 H new ATOM 121 N LEU A 8 24.277 -6.831 -1.026 1.00 0.00 N ATOM 122 CA LEU A 8 25.578 -6.991 -1.675 1.00 0.00 C ATOM 123 C LEU A 8 26.332 -8.111 -0.954 1.00 0.00 C ATOM 124 O LEU A 8 26.659 -7.988 0.224 1.00 0.00 O ATOM 125 CB LEU A 8 26.376 -5.645 -1.651 1.00 0.00 C ATOM 126 CG LEU A 8 27.450 -5.424 -2.777 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.097 -4.031 -2.658 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.537 -6.520 -2.799 1.00 0.00 C ATOM 0 H LEU A 8 24.309 -6.920 -0.010 1.00 0.00 H new ATOM 0 HA LEU A 8 25.451 -7.259 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.658 -4.826 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.878 -5.567 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 8 26.914 -5.489 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.836 -3.904 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.329 -3.264 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.585 -3.938 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.248 -6.311 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.059 -6.534 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.072 -7.490 -2.972 1.00 0.00 H new ATOM 140 N CYS A 9 26.580 -9.202 -1.677 1.00 0.00 N ATOM 141 CA CYS A 9 27.341 -10.342 -1.188 1.00 0.00 C ATOM 142 C CYS A 9 28.721 -10.351 -1.868 1.00 0.00 C ATOM 143 O CYS A 9 28.798 -10.543 -3.075 1.00 0.00 O ATOM 144 CB CYS A 9 26.545 -11.623 -1.485 1.00 0.00 C ATOM 145 SG CYS A 9 24.853 -11.584 -0.846 1.00 0.00 S ATOM 0 H CYS A 9 26.250 -9.317 -2.635 1.00 0.00 H new ATOM 0 HA CYS A 9 27.500 -10.280 -0.111 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.514 -11.781 -2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.069 -12.476 -1.053 1.00 0.00 H new ATOM 0 HG CYS A 9 24.348 -10.400 -1.028 1.00 0.00 H new ATOM 151 N ALA A 10 29.805 -10.124 -1.095 1.00 0.00 N ATOM 152 CA ALA A 10 31.187 -10.055 -1.650 1.00 0.00 C ATOM 153 C ALA A 10 32.147 -10.977 -0.873 1.00 0.00 C ATOM 154 O ALA A 10 32.265 -10.871 0.351 1.00 0.00 O ATOM 155 CB ALA A 10 31.706 -8.608 -1.653 1.00 0.00 C ATOM 0 H ALA A 10 29.757 -9.985 -0.086 1.00 0.00 H new ATOM 0 HA ALA A 10 31.147 -10.405 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.716 -8.585 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.052 -7.988 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.719 -8.224 -0.633 1.00 0.00 H new ATOM 161 N CYS A 11 32.809 -11.894 -1.601 1.00 0.00 N ATOM 162 CA CYS A 11 33.804 -12.834 -1.041 1.00 0.00 C ATOM 163 C CYS A 11 35.062 -12.871 -1.925 1.00 0.00 C ATOM 164 O CYS A 11 34.963 -12.698 -3.144 1.00 0.00 O ATOM 165 CB CYS A 11 33.201 -14.265 -0.875 1.00 0.00 C ATOM 166 SG CYS A 11 32.593 -14.593 0.794 1.00 0.00 S ATOM 0 H CYS A 11 32.669 -12.007 -2.605 1.00 0.00 H new ATOM 0 HA CYS A 11 34.086 -12.478 -0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.383 -14.392 -1.584 1.00 0.00 H new ATOM 0 HB3 CYS A 11 33.961 -15.004 -1.130 1.00 0.00 H new ATOM 0 HG CYS A 11 33.232 -15.607 1.297 1.00 0.00 H new ATOM 172 N PRO A 12 36.269 -13.134 -1.322 1.00 0.00 N ATOM 173 CA PRO A 12 37.534 -13.265 -2.088 1.00 0.00 C ATOM 174 C PRO A 12 37.668 -14.653 -2.751 1.00 0.00 C ATOM 175 O PRO A 12 38.526 -14.857 -3.614 1.00 0.00 O ATOM 176 CB PRO A 12 38.607 -13.045 -0.994 1.00 0.00 C ATOM 177 CG PRO A 12 37.988 -13.603 0.256 1.00 0.00 C ATOM 178 CD PRO A 12 36.498 -13.329 0.147 1.00 0.00 C ATOM 0 HA PRO A 12 37.610 -12.564 -2.919 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.536 -13.559 -1.240 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.847 -11.988 -0.880 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.182 -14.672 0.343 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.407 -13.129 1.144 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.910 -14.161 0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.213 -12.444 0.716 1.00 0.00 H new ATOM 186 N MET A 13 36.783 -15.584 -2.343 1.00 0.00 N ATOM 187 CA MET A 13 36.780 -16.980 -2.800 1.00 0.00 C ATOM 188 C MET A 13 36.266 -17.068 -4.249 1.00 0.00 C ATOM 189 O MET A 13 36.911 -17.670 -5.119 1.00 0.00 O ATOM 190 CB MET A 13 35.881 -17.834 -1.862 1.00 0.00 C ATOM 191 CG MET A 13 36.200 -17.687 -0.365 1.00 0.00 C ATOM 192 SD MET A 13 37.891 -18.171 0.046 1.00 0.00 S ATOM 193 CE MET A 13 37.968 -17.823 1.807 1.00 0.00 C ATOM 0 H MET A 13 36.039 -15.379 -1.675 1.00 0.00 H new ATOM 0 HA MET A 13 37.799 -17.365 -2.770 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.840 -17.558 -2.027 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.981 -18.883 -2.140 1.00 0.00 H new ATOM 0 HG2 MET A 13 36.041 -16.651 -0.065 1.00 0.00 H new ATOM 0 HG3 MET A 13 35.503 -18.296 0.211 1.00 0.00 H new ATOM 0 HE1 MET A 13 38.958 -18.077 2.185 1.00 0.00 H new ATOM 0 HE2 MET A 13 37.775 -16.764 1.977 1.00 0.00 H new ATOM 0 HE3 MET A 13 37.217 -18.417 2.328 1.00 0.00 H new ATOM 203 N GLY A 14 35.101 -16.436 -4.483 1.00 0.00 N ATOM 204 CA GLY A 14 34.451 -16.424 -5.796 1.00 0.00 C ATOM 205 C GLY A 14 32.965 -16.119 -5.696 1.00 0.00 C ATOM 206 O GLY A 14 32.446 -15.863 -4.595 1.00 0.00 O ATOM 0 H GLY A 14 34.589 -15.922 -3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 14 34.931 -15.680 -6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.590 -17.392 -6.278 1.00 0.00 H new ATOM 210 N LEU A 15 32.272 -16.188 -6.847 1.00 0.00 N ATOM 211 CA LEU A 15 30.840 -15.853 -6.946 1.00 0.00 C ATOM 212 C LEU A 15 29.934 -16.991 -6.431 1.00 0.00 C ATOM 213 O LEU A 15 28.766 -16.754 -6.151 1.00 0.00 O ATOM 214 CB LEU A 15 30.478 -15.462 -8.409 1.00 0.00 C ATOM 215 CG LEU A 15 31.032 -14.080 -8.899 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.689 -13.825 -10.389 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.513 -12.922 -8.006 1.00 0.00 C ATOM 0 H LEU A 15 32.688 -16.477 -7.733 1.00 0.00 H new ATOM 0 HA LEU A 15 30.657 -14.995 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.850 -16.239 -9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.392 -15.452 -8.505 1.00 0.00 H new ATOM 0 HG LEU A 15 32.118 -14.115 -8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.089 -12.858 -10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.130 -14.610 -11.003 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.607 -13.828 -10.519 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.913 -11.975 -8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.424 -12.894 -8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.837 -13.082 -6.978 1.00 0.00 H new ATOM 229 N ALA A 16 30.479 -18.209 -6.293 1.00 0.00 N ATOM 230 CA ALA A 16 29.729 -19.371 -5.766 1.00 0.00 C ATOM 231 C ALA A 16 29.170 -19.085 -4.351 1.00 0.00 C ATOM 232 O ALA A 16 27.957 -19.234 -4.090 1.00 0.00 O ATOM 233 CB ALA A 16 30.630 -20.617 -5.754 1.00 0.00 C ATOM 0 H ALA A 16 31.446 -18.421 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 16 28.879 -19.556 -6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.070 -21.467 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.962 -20.835 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.497 -20.433 -5.120 1.00 0.00 H new ATOM 239 N HIS A 17 30.075 -18.629 -3.467 1.00 0.00 N ATOM 240 CA HIS A 17 29.767 -18.357 -2.053 1.00 0.00 C ATOM 241 C HIS A 17 28.794 -17.164 -1.939 1.00 0.00 C ATOM 242 O HIS A 17 27.852 -17.178 -1.120 1.00 0.00 O ATOM 243 CB HIS A 17 31.088 -18.074 -1.272 1.00 0.00 C ATOM 244 CG HIS A 17 31.005 -18.333 0.213 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.254 -17.383 1.174 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.716 -19.467 0.891 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.117 -17.920 2.369 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.792 -19.186 2.223 1.00 0.00 N ATOM 0 H HIS A 17 31.046 -18.438 -3.716 1.00 0.00 H new ATOM 0 HA HIS A 17 29.284 -19.230 -1.615 1.00 0.00 H new ATOM 0 HB2 HIS A 17 31.883 -18.691 -1.692 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.374 -17.034 -1.431 1.00 0.00 H new ATOM 0 HD1 HIS A 17 31.506 -16.412 0.990 1.00 0.00 H new ATOM 0 HD2 HIS A 17 30.469 -20.424 0.455 1.00 0.00 H new ATOM 0 HE1 HIS A 17 31.249 -17.407 3.310 1.00 0.00 H new ATOM 257 N THR A 18 29.014 -16.159 -2.811 1.00 0.00 N ATOM 258 CA THR A 18 28.217 -14.928 -2.837 1.00 0.00 C ATOM 259 C THR A 18 26.776 -15.214 -3.300 1.00 0.00 C ATOM 260 O THR A 18 25.841 -14.588 -2.817 1.00 0.00 O ATOM 261 CB THR A 18 28.857 -13.840 -3.764 1.00 0.00 C ATOM 262 OG1 THR A 18 28.823 -14.254 -5.130 1.00 0.00 O ATOM 263 CG2 THR A 18 30.308 -13.526 -3.382 1.00 0.00 C ATOM 0 H THR A 18 29.751 -16.184 -3.515 1.00 0.00 H new ATOM 0 HA THR A 18 28.198 -14.543 -1.817 1.00 0.00 H new ATOM 0 HB THR A 18 28.262 -12.937 -3.630 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.777 -15.232 -5.174 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.705 -12.766 -4.055 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.343 -13.157 -2.357 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.909 -14.432 -3.462 1.00 0.00 H new ATOM 271 N PHE A 19 26.618 -16.168 -4.246 1.00 0.00 N ATOM 272 CA PHE A 19 25.294 -16.566 -4.770 1.00 0.00 C ATOM 273 C PHE A 19 24.478 -17.339 -3.727 1.00 0.00 C ATOM 274 O PHE A 19 23.253 -17.332 -3.796 1.00 0.00 O ATOM 275 CB PHE A 19 25.403 -17.391 -6.083 1.00 0.00 C ATOM 276 CG PHE A 19 25.758 -16.575 -7.332 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.189 -15.322 -7.555 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.636 -17.077 -8.294 1.00 0.00 C ATOM 279 CE1 PHE A 19 25.500 -14.594 -8.684 1.00 0.00 C ATOM 280 CE2 PHE A 19 26.946 -16.347 -9.421 1.00 0.00 C ATOM 281 CZ PHE A 19 26.376 -15.109 -9.617 1.00 0.00 C ATOM 0 H PHE A 19 27.397 -16.678 -4.663 1.00 0.00 H new ATOM 0 HA PHE A 19 24.769 -15.639 -5.000 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.158 -18.165 -5.946 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.454 -17.898 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 19 24.495 -14.916 -6.834 1.00 0.00 H new ATOM 0 HD2 PHE A 19 27.079 -18.052 -8.153 1.00 0.00 H new ATOM 0 HE1 PHE A 19 25.058 -13.621 -8.838 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.636 -16.746 -10.150 1.00 0.00 H new ATOM 0 HZ PHE A 19 26.615 -14.540 -10.503 1.00 0.00 H new ATOM 291 N MET A 20 25.155 -18.023 -2.782 1.00 0.00 N ATOM 292 CA MET A 20 24.458 -18.692 -1.656 1.00 0.00 C ATOM 293 C MET A 20 23.849 -17.650 -0.700 1.00 0.00 C ATOM 294 O MET A 20 22.703 -17.800 -0.250 1.00 0.00 O ATOM 295 CB MET A 20 25.394 -19.650 -0.881 1.00 0.00 C ATOM 296 CG MET A 20 25.986 -20.792 -1.721 1.00 0.00 C ATOM 297 SD MET A 20 26.664 -22.128 -0.710 1.00 0.00 S ATOM 298 CE MET A 20 27.716 -21.229 0.426 1.00 0.00 C ATOM 0 H MET A 20 26.170 -18.128 -2.772 1.00 0.00 H new ATOM 0 HA MET A 20 23.656 -19.293 -2.085 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.212 -19.070 -0.454 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.840 -20.081 -0.047 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.212 -21.194 -2.375 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.772 -20.394 -2.364 1.00 0.00 H new ATOM 0 HE1 MET A 20 28.633 -21.793 0.596 1.00 0.00 H new ATOM 0 HE2 MET A 20 27.962 -20.256 0.002 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.194 -21.091 1.373 1.00 0.00 H new ATOM 308 N ALA A 21 24.631 -16.592 -0.407 1.00 0.00 N ATOM 309 CA ALA A 21 24.157 -15.450 0.404 1.00 0.00 C ATOM 310 C ALA A 21 23.034 -14.698 -0.320 1.00 0.00 C ATOM 311 O ALA A 21 22.027 -14.333 0.290 1.00 0.00 O ATOM 312 CB ALA A 21 25.318 -14.507 0.720 1.00 0.00 C ATOM 0 H ALA A 21 25.598 -16.504 -0.721 1.00 0.00 H new ATOM 0 HA ALA A 21 23.757 -15.836 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.955 -13.671 1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.083 -15.046 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.744 -14.131 -0.210 1.00 0.00 H new ATOM 318 N ALA A 22 23.225 -14.515 -1.641 1.00 0.00 N ATOM 319 CA ALA A 22 22.264 -13.840 -2.520 1.00 0.00 C ATOM 320 C ALA A 22 20.936 -14.595 -2.551 1.00 0.00 C ATOM 321 O ALA A 22 19.887 -13.992 -2.434 1.00 0.00 O ATOM 322 CB ALA A 22 22.833 -13.699 -3.944 1.00 0.00 C ATOM 0 H ALA A 22 24.061 -14.837 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 22 22.084 -12.842 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.104 -13.196 -4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.752 -13.114 -3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.047 -14.688 -4.350 1.00 0.00 H new ATOM 328 N GLN A 23 21.017 -15.932 -2.658 1.00 0.00 N ATOM 329 CA GLN A 23 19.837 -16.808 -2.738 1.00 0.00 C ATOM 330 C GLN A 23 18.996 -16.709 -1.457 1.00 0.00 C ATOM 331 O GLN A 23 17.771 -16.585 -1.517 1.00 0.00 O ATOM 332 CB GLN A 23 20.269 -18.279 -2.977 1.00 0.00 C ATOM 333 CG GLN A 23 19.098 -19.272 -3.148 1.00 0.00 C ATOM 334 CD GLN A 23 18.182 -18.975 -4.351 1.00 0.00 C ATOM 335 OE1 GLN A 23 16.979 -19.224 -4.295 1.00 0.00 O ATOM 336 NE2 GLN A 23 18.746 -18.491 -5.457 1.00 0.00 N ATOM 0 H GLN A 23 21.903 -16.436 -2.691 1.00 0.00 H new ATOM 0 HA GLN A 23 19.227 -16.478 -3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.896 -18.320 -3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.885 -18.604 -2.138 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.503 -20.278 -3.255 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.497 -19.266 -2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.747 -18.294 -5.475 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.177 -18.318 -6.286 1.00 0.00 H new ATOM 345 N ALA A 24 19.683 -16.734 -0.310 1.00 0.00 N ATOM 346 CA ALA A 24 19.040 -16.736 1.009 1.00 0.00 C ATOM 347 C ALA A 24 18.332 -15.394 1.300 1.00 0.00 C ATOM 348 O ALA A 24 17.153 -15.377 1.693 1.00 0.00 O ATOM 349 CB ALA A 24 20.089 -17.078 2.077 1.00 0.00 C ATOM 0 H ALA A 24 20.702 -16.753 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 24 18.260 -17.497 1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.619 -17.082 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.509 -18.063 1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 24 20.884 -16.333 2.058 1.00 0.00 H new ATOM 355 N LEU A 25 19.060 -14.279 1.081 1.00 0.00 N ATOM 356 CA LEU A 25 18.522 -12.908 1.261 1.00 0.00 C ATOM 357 C LEU A 25 17.383 -12.610 0.272 1.00 0.00 C ATOM 358 O LEU A 25 16.479 -11.826 0.580 1.00 0.00 O ATOM 359 CB LEU A 25 19.639 -11.849 1.075 1.00 0.00 C ATOM 360 CG LEU A 25 20.811 -11.900 2.095 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.883 -10.846 1.757 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.309 -11.728 3.547 1.00 0.00 C ATOM 0 H LEU A 25 20.033 -14.300 0.776 1.00 0.00 H new ATOM 0 HA LEU A 25 18.129 -12.854 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.052 -11.960 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.185 -10.860 1.125 1.00 0.00 H new ATOM 0 HG LEU A 25 21.267 -12.887 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.692 -10.903 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.279 -11.037 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.438 -9.852 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.156 -11.769 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.808 -10.765 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.609 -12.528 3.787 1.00 0.00 H new ATOM 374 N GLU A 26 17.466 -13.229 -0.920 1.00 0.00 N ATOM 375 CA GLU A 26 16.464 -13.083 -1.984 1.00 0.00 C ATOM 376 C GLU A 26 15.117 -13.625 -1.516 1.00 0.00 C ATOM 377 O GLU A 26 14.145 -12.876 -1.460 1.00 0.00 O ATOM 378 CB GLU A 26 16.952 -13.796 -3.271 1.00 0.00 C ATOM 379 CG GLU A 26 16.041 -13.666 -4.510 1.00 0.00 C ATOM 380 CD GLU A 26 16.724 -14.167 -5.799 1.00 0.00 C ATOM 381 OE1 GLU A 26 17.550 -13.420 -6.364 1.00 0.00 O ATOM 382 OE2 GLU A 26 16.438 -15.300 -6.258 1.00 0.00 O ATOM 0 H GLU A 26 18.237 -13.848 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 26 16.332 -12.026 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.936 -13.404 -3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.078 -14.856 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.124 -14.232 -4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.752 -12.623 -4.637 1.00 0.00 H new ATOM 389 N GLU A 27 15.111 -14.910 -1.096 1.00 0.00 N ATOM 390 CA GLU A 27 13.899 -15.606 -0.618 1.00 0.00 C ATOM 391 C GLU A 27 13.238 -14.820 0.528 1.00 0.00 C ATOM 392 O GLU A 27 12.036 -14.579 0.504 1.00 0.00 O ATOM 393 CB GLU A 27 14.239 -17.037 -0.125 1.00 0.00 C ATOM 394 CG GLU A 27 14.907 -17.949 -1.172 1.00 0.00 C ATOM 395 CD GLU A 27 15.188 -19.366 -0.646 1.00 0.00 C ATOM 396 OE1 GLU A 27 15.996 -19.508 0.295 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.586 -20.342 -1.149 1.00 0.00 O ATOM 0 H GLU A 27 15.948 -15.493 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 27 13.206 -15.674 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.898 -16.959 0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.321 -17.514 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.265 -18.015 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.844 -17.495 -1.495 1.00 0.00 H new ATOM 404 N ALA A 28 14.078 -14.395 1.487 1.00 0.00 N ATOM 405 CA ALA A 28 13.660 -13.646 2.686 1.00 0.00 C ATOM 406 C ALA A 28 12.937 -12.335 2.314 1.00 0.00 C ATOM 407 O ALA A 28 11.832 -12.070 2.789 1.00 0.00 O ATOM 408 CB ALA A 28 14.890 -13.362 3.559 1.00 0.00 C ATOM 0 H ALA A 28 15.083 -14.565 1.451 1.00 0.00 H new ATOM 0 HA ALA A 28 12.949 -14.254 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.586 -12.808 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.349 -14.304 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.610 -12.772 2.992 1.00 0.00 H new ATOM 414 N ALA A 29 13.578 -11.547 1.439 1.00 0.00 N ATOM 415 CA ALA A 29 13.033 -10.270 0.925 1.00 0.00 C ATOM 416 C ALA A 29 11.786 -10.441 0.024 1.00 0.00 C ATOM 417 O ALA A 29 10.992 -9.497 -0.111 1.00 0.00 O ATOM 418 CB ALA A 29 14.125 -9.522 0.169 1.00 0.00 C ATOM 0 H ALA A 29 14.498 -11.775 1.061 1.00 0.00 H new ATOM 0 HA ALA A 29 12.702 -9.698 1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.726 -8.581 -0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.958 -9.318 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.473 -10.131 -0.665 1.00 0.00 H new ATOM 424 N VAL A 30 11.607 -11.639 -0.577 1.00 0.00 N ATOM 425 CA VAL A 30 10.437 -11.932 -1.441 1.00 0.00 C ATOM 426 C VAL A 30 9.214 -12.175 -0.541 1.00 0.00 C ATOM 427 O VAL A 30 8.124 -11.649 -0.787 1.00 0.00 O ATOM 428 CB VAL A 30 10.701 -13.183 -2.378 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.415 -13.676 -3.084 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.790 -12.873 -3.431 1.00 0.00 C ATOM 0 H VAL A 30 12.257 -12.419 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 30 10.255 -11.080 -2.096 1.00 0.00 H new ATOM 0 HB VAL A 30 11.051 -13.984 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.652 -14.534 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.678 -13.967 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.009 -12.875 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.949 -13.750 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.469 -12.036 -4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.721 -12.614 -2.926 1.00 0.00 H new ATOM 440 N GLU A 31 9.447 -12.944 0.527 1.00 0.00 N ATOM 441 CA GLU A 31 8.440 -13.244 1.561 1.00 0.00 C ATOM 442 C GLU A 31 8.108 -11.973 2.372 1.00 0.00 C ATOM 443 O GLU A 31 7.004 -11.837 2.906 1.00 0.00 O ATOM 444 CB GLU A 31 8.993 -14.361 2.480 1.00 0.00 C ATOM 445 CG GLU A 31 9.419 -15.635 1.723 1.00 0.00 C ATOM 446 CD GLU A 31 8.235 -16.479 1.220 1.00 0.00 C ATOM 447 OE1 GLU A 31 7.763 -16.257 0.081 1.00 0.00 O ATOM 448 OE2 GLU A 31 7.774 -17.373 1.964 1.00 0.00 O ATOM 0 H GLU A 31 10.350 -13.383 0.704 1.00 0.00 H new ATOM 0 HA GLU A 31 7.516 -13.586 1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.850 -13.974 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.232 -14.624 3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.039 -15.352 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.038 -16.247 2.379 1.00 0.00 H new ATOM 455 N ALA A 32 9.086 -11.053 2.428 1.00 0.00 N ATOM 456 CA ALA A 32 8.956 -9.749 3.091 1.00 0.00 C ATOM 457 C ALA A 32 8.133 -8.759 2.242 1.00 0.00 C ATOM 458 O ALA A 32 7.527 -7.824 2.780 1.00 0.00 O ATOM 459 CB ALA A 32 10.351 -9.198 3.390 1.00 0.00 C ATOM 0 H ALA A 32 10.003 -11.199 2.006 1.00 0.00 H new ATOM 0 HA ALA A 32 8.414 -9.882 4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.262 -8.230 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.883 -9.890 4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.904 -9.081 2.458 1.00 0.00 H new ATOM 465 N GLY A 33 8.140 -8.966 0.909 1.00 0.00 N ATOM 466 CA GLY A 33 7.228 -8.271 -0.012 1.00 0.00 C ATOM 467 C GLY A 33 7.864 -7.129 -0.795 1.00 0.00 C ATOM 468 O GLY A 33 7.139 -6.297 -1.363 1.00 0.00 O ATOM 0 H GLY A 33 8.775 -9.616 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.823 -8.997 -0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.387 -7.878 0.559 1.00 0.00 H new ATOM 472 N TYR A 34 9.209 -7.057 -0.822 1.00 0.00 N ATOM 473 CA TYR A 34 9.929 -6.038 -1.624 1.00 0.00 C ATOM 474 C TYR A 34 10.324 -6.635 -2.973 1.00 0.00 C ATOM 475 O TYR A 34 10.348 -7.864 -3.146 1.00 0.00 O ATOM 476 CB TYR A 34 11.237 -5.512 -0.945 1.00 0.00 C ATOM 477 CG TYR A 34 11.140 -5.139 0.533 1.00 0.00 C ATOM 478 CD1 TYR A 34 10.922 -6.108 1.505 1.00 0.00 C ATOM 479 CD2 TYR A 34 11.264 -3.818 0.955 1.00 0.00 C ATOM 480 CE1 TYR A 34 10.822 -5.767 2.839 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.160 -3.477 2.279 1.00 0.00 C ATOM 482 CZ TYR A 34 10.934 -4.446 3.218 1.00 0.00 C ATOM 483 OH TYR A 34 10.811 -4.094 4.541 1.00 0.00 O ATOM 0 H TYR A 34 9.820 -7.687 -0.302 1.00 0.00 H new ATOM 0 HA TYR A 34 9.240 -5.199 -1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 34 12.007 -6.275 -1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.577 -4.635 -1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.829 -7.143 1.212 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.446 -3.045 0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 34 10.657 -6.532 3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.256 -2.444 2.580 1.00 0.00 H new ATOM 0 HH TYR A 34 10.093 -4.618 4.953 1.00 0.00 H new ATOM 493 N GLU A 35 10.644 -5.746 -3.916 1.00 0.00 N ATOM 494 CA GLU A 35 11.423 -6.096 -5.105 1.00 0.00 C ATOM 495 C GLU A 35 12.874 -6.280 -4.642 1.00 0.00 C ATOM 496 O GLU A 35 13.409 -5.390 -3.998 1.00 0.00 O ATOM 497 CB GLU A 35 11.331 -4.964 -6.153 1.00 0.00 C ATOM 498 CG GLU A 35 12.159 -5.207 -7.429 1.00 0.00 C ATOM 499 CD GLU A 35 11.977 -4.101 -8.479 1.00 0.00 C ATOM 500 OE1 GLU A 35 12.555 -3.003 -8.308 1.00 0.00 O ATOM 501 OE2 GLU A 35 11.268 -4.321 -9.486 1.00 0.00 O ATOM 0 H GLU A 35 10.370 -4.764 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 35 11.045 -7.006 -5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.286 -4.829 -6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.660 -4.032 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.214 -5.279 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.874 -6.165 -7.864 1.00 0.00 H new ATOM 508 N VAL A 36 13.502 -7.419 -4.936 1.00 0.00 N ATOM 509 CA VAL A 36 14.835 -7.740 -4.396 1.00 0.00 C ATOM 510 C VAL A 36 15.885 -7.821 -5.522 1.00 0.00 C ATOM 511 O VAL A 36 15.652 -8.447 -6.565 1.00 0.00 O ATOM 512 CB VAL A 36 14.805 -9.051 -3.532 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.398 -10.297 -4.351 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.154 -9.269 -2.799 1.00 0.00 C ATOM 0 H VAL A 36 13.113 -8.139 -5.545 1.00 0.00 H new ATOM 0 HA VAL A 36 15.130 -6.927 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 36 14.029 -8.912 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.394 -11.173 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.401 -10.149 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.111 -10.448 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.104 -10.184 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 36 16.957 -9.353 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.351 -8.423 -2.141 1.00 0.00 H new ATOM 524 N LYS A 37 17.033 -7.159 -5.301 1.00 0.00 N ATOM 525 CA LYS A 37 18.153 -7.124 -6.251 1.00 0.00 C ATOM 526 C LYS A 37 19.459 -7.173 -5.463 1.00 0.00 C ATOM 527 O LYS A 37 19.724 -6.287 -4.657 1.00 0.00 O ATOM 528 CB LYS A 37 18.112 -5.839 -7.107 1.00 0.00 C ATOM 529 CG LYS A 37 19.211 -5.779 -8.198 1.00 0.00 C ATOM 530 CD LYS A 37 18.968 -6.733 -9.376 1.00 0.00 C ATOM 531 CE LYS A 37 20.087 -6.642 -10.424 1.00 0.00 C ATOM 532 NZ LYS A 37 19.738 -7.355 -11.687 1.00 0.00 N ATOM 0 H LYS A 37 17.209 -6.628 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 37 18.079 -7.980 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.135 -5.762 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.216 -4.974 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.279 -4.759 -8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.174 -6.015 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.898 -7.756 -9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.012 -6.497 -9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.291 -5.594 -10.645 1.00 0.00 H new ATOM 0 HE3 LYS A 37 21.003 -7.065 -10.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.180 -6.869 -12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.085 -8.334 -11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.705 -7.360 -11.809 1.00 0.00 H new ATOM 546 N ILE A 38 20.257 -8.222 -5.665 1.00 0.00 N ATOM 547 CA ILE A 38 21.485 -8.445 -4.882 1.00 0.00 C ATOM 548 C ILE A 38 22.734 -8.505 -5.775 1.00 0.00 C ATOM 549 O ILE A 38 22.905 -9.454 -6.552 1.00 0.00 O ATOM 550 CB ILE A 38 21.325 -9.761 -4.062 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.046 -9.659 -3.162 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.592 -10.059 -3.207 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.549 -10.960 -2.610 1.00 0.00 C ATOM 0 H ILE A 38 20.078 -8.939 -6.368 1.00 0.00 H new ATOM 0 HA ILE A 38 21.627 -7.602 -4.206 1.00 0.00 H new ATOM 0 HB ILE A 38 21.209 -10.594 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.259 -8.988 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.247 -9.201 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.445 -10.984 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.457 -10.164 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.762 -9.238 -2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.662 -10.782 -2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.297 -11.631 -3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.325 -11.415 -1.995 1.00 0.00 H new ATOM 565 N GLU A 39 23.594 -7.489 -5.637 1.00 0.00 N ATOM 566 CA GLU A 39 24.913 -7.429 -6.281 1.00 0.00 C ATOM 567 C GLU A 39 25.846 -8.447 -5.614 1.00 0.00 C ATOM 568 O GLU A 39 25.818 -8.620 -4.398 1.00 0.00 O ATOM 569 CB GLU A 39 25.461 -5.988 -6.146 1.00 0.00 C ATOM 570 CG GLU A 39 26.839 -5.705 -6.776 1.00 0.00 C ATOM 571 CD GLU A 39 27.278 -4.235 -6.575 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.519 -3.319 -6.966 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.370 -3.996 -6.038 1.00 0.00 O ATOM 0 H GLU A 39 23.390 -6.670 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 39 24.842 -7.679 -7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.737 -5.306 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.516 -5.744 -5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.582 -6.369 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.803 -5.930 -7.842 1.00 0.00 H new ATOM 580 N THR A 40 26.639 -9.134 -6.428 1.00 0.00 N ATOM 581 CA THR A 40 27.560 -10.179 -5.980 1.00 0.00 C ATOM 582 C THR A 40 28.951 -9.887 -6.541 1.00 0.00 C ATOM 583 O THR A 40 29.111 -9.770 -7.755 1.00 0.00 O ATOM 584 CB THR A 40 27.067 -11.595 -6.433 1.00 0.00 C ATOM 585 OG1 THR A 40 26.598 -11.550 -7.791 1.00 0.00 O ATOM 586 CG2 THR A 40 25.953 -12.142 -5.527 1.00 0.00 C ATOM 0 H THR A 40 26.662 -8.980 -7.436 1.00 0.00 H new ATOM 0 HA THR A 40 27.598 -10.180 -4.891 1.00 0.00 H new ATOM 0 HB THR A 40 27.922 -12.267 -6.357 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.784 -12.090 -7.874 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.645 -13.125 -5.882 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.323 -12.225 -4.505 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.100 -11.464 -5.550 1.00 0.00 H new ATOM 594 N GLN A 41 29.952 -9.745 -5.658 1.00 0.00 N ATOM 595 CA GLN A 41 31.317 -9.383 -6.062 1.00 0.00 C ATOM 596 C GLN A 41 32.339 -10.439 -5.617 1.00 0.00 C ATOM 597 O GLN A 41 32.159 -11.131 -4.607 1.00 0.00 O ATOM 598 CB GLN A 41 31.720 -8.009 -5.481 1.00 0.00 C ATOM 599 CG GLN A 41 30.816 -6.821 -5.893 1.00 0.00 C ATOM 600 CD GLN A 41 31.572 -5.493 -6.018 1.00 0.00 C ATOM 601 OE1 GLN A 41 32.779 -5.540 -6.552 1.00 0.00 O flip ATOM 602 NE2 GLN A 41 31.076 -4.427 -5.686 1.00 0.00 N flip ATOM 0 H GLN A 41 29.839 -9.877 -4.653 1.00 0.00 H new ATOM 0 HA GLN A 41 31.320 -9.331 -7.151 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.723 -8.081 -4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.742 -7.789 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.340 -7.050 -6.846 1.00 0.00 H new ATOM 0 HG3 GLN A 41 30.019 -6.709 -5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 41 30.143 -4.405 -5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.595 -3.559 -5.820 1.00 0.00 H new ATOM 611 N GLY A 42 33.414 -10.516 -6.396 1.00 0.00 N ATOM 612 CA GLY A 42 34.581 -11.317 -6.091 1.00 0.00 C ATOM 613 C GLY A 42 35.771 -10.843 -6.906 1.00 0.00 C ATOM 614 O GLY A 42 35.617 -9.988 -7.792 1.00 0.00 O ATOM 0 H GLY A 42 33.493 -10.008 -7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.809 -11.249 -5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 42 34.378 -12.366 -6.307 1.00 0.00 H new ATOM 618 N ALA A 43 36.955 -11.399 -6.624 1.00 0.00 N ATOM 619 CA ALA A 43 38.188 -11.089 -7.378 1.00 0.00 C ATOM 620 C ALA A 43 38.115 -11.654 -8.816 1.00 0.00 C ATOM 621 O ALA A 43 38.894 -11.253 -9.687 1.00 0.00 O ATOM 622 CB ALA A 43 39.408 -11.624 -6.617 1.00 0.00 C ATOM 0 H ALA A 43 37.091 -12.074 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 43 38.289 -10.007 -7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 43 40.315 -11.394 -7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 43 39.458 -11.155 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 43 39.319 -12.704 -6.499 1.00 0.00 H new ATOM 628 N ASP A 44 37.169 -12.590 -9.046 1.00 0.00 N ATOM 629 CA ASP A 44 36.842 -13.115 -10.385 1.00 0.00 C ATOM 630 C ASP A 44 36.009 -12.086 -11.187 1.00 0.00 C ATOM 631 O ASP A 44 36.150 -11.978 -12.411 1.00 0.00 O ATOM 632 CB ASP A 44 36.073 -14.454 -10.250 1.00 0.00 C ATOM 633 CG ASP A 44 35.725 -15.109 -11.605 1.00 0.00 C ATOM 634 OD1 ASP A 44 36.661 -15.531 -12.320 1.00 0.00 O ATOM 635 OD2 ASP A 44 34.529 -15.188 -11.963 1.00 0.00 O ATOM 0 H ASP A 44 36.608 -13.004 -8.301 1.00 0.00 H new ATOM 0 HA ASP A 44 37.769 -13.294 -10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 44 36.673 -15.150 -9.663 1.00 0.00 H new ATOM 0 HB3 ASP A 44 35.152 -14.280 -9.694 1.00 0.00 H new ATOM 640 N GLY A 45 35.140 -11.338 -10.479 1.00 0.00 N ATOM 641 CA GLY A 45 34.310 -10.297 -11.098 1.00 0.00 C ATOM 642 C GLY A 45 33.023 -10.021 -10.330 1.00 0.00 C ATOM 643 O GLY A 45 32.781 -10.601 -9.265 1.00 0.00 O ATOM 0 H GLY A 45 34.998 -11.440 -9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.888 -9.375 -11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 45 34.061 -10.597 -12.116 1.00 0.00 H new ATOM 647 N ILE A 46 32.198 -9.117 -10.895 1.00 0.00 N ATOM 648 CA ILE A 46 30.915 -8.669 -10.304 1.00 0.00 C ATOM 649 C ILE A 46 29.736 -9.243 -11.123 1.00 0.00 C ATOM 650 O ILE A 46 29.895 -9.550 -12.312 1.00 0.00 O ATOM 651 CB ILE A 46 30.848 -7.088 -10.287 1.00 0.00 C ATOM 652 CG1 ILE A 46 32.141 -6.504 -9.636 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.578 -6.559 -9.554 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.295 -5.004 -9.760 1.00 0.00 C ATOM 0 H ILE A 46 32.405 -8.669 -11.788 1.00 0.00 H new ATOM 0 HA ILE A 46 30.847 -9.033 -9.279 1.00 0.00 H new ATOM 0 HB ILE A 46 30.782 -6.751 -11.321 1.00 0.00 H new ATOM 0 HG12 ILE A 46 32.150 -6.769 -8.579 1.00 0.00 H new ATOM 0 HG13 ILE A 46 33.008 -6.983 -10.092 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.577 -5.469 -9.569 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.686 -6.930 -10.059 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.582 -6.908 -8.521 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.222 -4.692 -9.278 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.323 -4.727 -10.814 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.451 -4.511 -9.277 1.00 0.00 H new ATOM 666 N GLN A 47 28.561 -9.364 -10.493 1.00 0.00 N ATOM 667 CA GLN A 47 27.337 -9.864 -11.134 1.00 0.00 C ATOM 668 C GLN A 47 26.110 -9.237 -10.456 1.00 0.00 C ATOM 669 O GLN A 47 26.163 -8.918 -9.271 1.00 0.00 O ATOM 670 CB GLN A 47 27.284 -11.411 -11.013 1.00 0.00 C ATOM 671 CG GLN A 47 26.058 -12.093 -11.664 1.00 0.00 C ATOM 672 CD GLN A 47 25.877 -11.825 -13.165 1.00 0.00 C ATOM 673 OE1 GLN A 47 24.750 -11.797 -13.658 1.00 0.00 O ATOM 674 NE2 GLN A 47 26.963 -11.657 -13.908 1.00 0.00 N ATOM 0 H GLN A 47 28.431 -9.115 -9.512 1.00 0.00 H new ATOM 0 HA GLN A 47 27.337 -9.590 -12.189 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.187 -11.823 -11.463 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.305 -11.675 -9.956 1.00 0.00 H new ATOM 0 HG2 GLN A 47 26.138 -13.169 -11.511 1.00 0.00 H new ATOM 0 HG3 GLN A 47 25.160 -11.763 -11.142 1.00 0.00 H new ATOM 0 HE21 GLN A 47 27.886 -11.685 -13.475 1.00 0.00 H new ATOM 0 HE22 GLN A 47 26.875 -11.500 -14.912 1.00 0.00 H new ATOM 683 N ASN A 48 25.027 -9.057 -11.237 1.00 0.00 N ATOM 684 CA ASN A 48 23.699 -8.604 -10.734 1.00 0.00 C ATOM 685 C ASN A 48 23.813 -7.204 -10.074 1.00 0.00 C ATOM 686 O ASN A 48 23.090 -6.894 -9.112 1.00 0.00 O ATOM 687 CB ASN A 48 23.104 -9.666 -9.737 1.00 0.00 C ATOM 688 CG ASN A 48 21.580 -9.813 -9.803 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.984 -9.712 -10.873 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.940 -10.067 -8.668 1.00 0.00 N ATOM 0 H ASN A 48 25.041 -9.221 -12.244 1.00 0.00 H new ATOM 0 HA ASN A 48 23.014 -8.514 -11.577 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.559 -10.635 -9.943 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.386 -9.391 -8.721 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.927 -10.184 -8.669 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.462 -10.145 -7.795 1.00 0.00 H new ATOM 697 N ARG A 49 24.707 -6.362 -10.637 1.00 0.00 N ATOM 698 CA ARG A 49 25.140 -5.101 -10.020 1.00 0.00 C ATOM 699 C ARG A 49 23.997 -4.084 -9.850 1.00 0.00 C ATOM 700 O ARG A 49 23.156 -3.894 -10.736 1.00 0.00 O ATOM 701 CB ARG A 49 26.334 -4.474 -10.803 1.00 0.00 C ATOM 702 CG ARG A 49 26.783 -3.071 -10.288 1.00 0.00 C ATOM 703 CD ARG A 49 28.272 -2.775 -10.502 1.00 0.00 C ATOM 704 NE ARG A 49 28.644 -2.797 -11.919 1.00 0.00 N ATOM 705 CZ ARG A 49 29.833 -2.425 -12.403 1.00 0.00 C ATOM 706 NH1 ARG A 49 30.790 -1.965 -11.598 1.00 0.00 N ATOM 707 NH2 ARG A 49 30.058 -2.517 -13.702 1.00 0.00 N ATOM 0 H ARG A 49 25.148 -6.545 -11.538 1.00 0.00 H new ATOM 0 HA ARG A 49 25.476 -5.354 -9.015 1.00 0.00 H new ATOM 0 HB2 ARG A 49 27.184 -5.155 -10.750 1.00 0.00 H new ATOM 0 HB3 ARG A 49 26.058 -4.389 -11.854 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.195 -2.305 -10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 49 26.558 -2.997 -9.224 1.00 0.00 H new ATOM 0 HD2 ARG A 49 28.510 -1.798 -10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 49 28.868 -3.510 -9.960 1.00 0.00 H new ATOM 0 HE ARG A 49 27.943 -3.120 -12.586 1.00 0.00 H new ATOM 0 HH11 ARG A 49 30.621 -1.892 -10.595 1.00 0.00 H new ATOM 0 HH12 ARG A 49 31.691 -1.686 -11.985 1.00 0.00 H new ATOM 0 HH21 ARG A 49 29.329 -2.869 -14.322 1.00 0.00 H new ATOM 0 HH22 ARG A 49 30.961 -2.236 -14.084 1.00 0.00 H new ATOM 721 N LEU A 50 24.024 -3.435 -8.684 1.00 0.00 N ATOM 722 CA LEU A 50 23.041 -2.454 -8.243 1.00 0.00 C ATOM 723 C LEU A 50 23.301 -1.085 -8.862 1.00 0.00 C ATOM 724 O LEU A 50 24.372 -0.495 -8.687 1.00 0.00 O ATOM 725 CB LEU A 50 23.076 -2.402 -6.702 1.00 0.00 C ATOM 726 CG LEU A 50 22.475 -3.664 -6.027 1.00 0.00 C ATOM 727 CD1 LEU A 50 22.857 -3.774 -4.549 1.00 0.00 C ATOM 728 CD2 LEU A 50 20.963 -3.667 -6.211 1.00 0.00 C ATOM 0 H LEU A 50 24.762 -3.587 -7.997 1.00 0.00 H new ATOM 0 HA LEU A 50 22.046 -2.750 -8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.108 -2.281 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.528 -1.523 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 50 22.898 -4.542 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.411 -4.673 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.942 -3.828 -4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.490 -2.899 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.541 -4.553 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.539 -2.773 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.726 -3.677 -7.275 1.00 0.00 H new ATOM 740 N THR A 51 22.290 -0.598 -9.579 1.00 0.00 N ATOM 741 CA THR A 51 22.332 0.679 -10.300 1.00 0.00 C ATOM 742 C THR A 51 21.901 1.825 -9.375 1.00 0.00 C ATOM 743 O THR A 51 21.325 1.573 -8.310 1.00 0.00 O ATOM 744 CB THR A 51 21.396 0.624 -11.555 1.00 0.00 C ATOM 745 OG1 THR A 51 20.013 0.531 -11.139 1.00 0.00 O ATOM 746 CG2 THR A 51 21.730 -0.577 -12.467 1.00 0.00 C ATOM 0 H THR A 51 21.400 -1.087 -9.679 1.00 0.00 H new ATOM 0 HA THR A 51 23.355 0.858 -10.631 1.00 0.00 H new ATOM 0 HB THR A 51 21.557 1.541 -12.121 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.860 -0.333 -10.703 1.00 0.00 H new ATOM 0 HG21 THR A 51 21.059 -0.579 -13.326 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.761 -0.496 -12.812 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.607 -1.504 -11.907 1.00 0.00 H new ATOM 754 N ALA A 52 22.146 3.083 -9.805 1.00 0.00 N ATOM 755 CA ALA A 52 21.775 4.297 -9.043 1.00 0.00 C ATOM 756 C ALA A 52 20.284 4.296 -8.650 1.00 0.00 C ATOM 757 O ALA A 52 19.919 4.774 -7.570 1.00 0.00 O ATOM 758 CB ALA A 52 22.106 5.555 -9.863 1.00 0.00 C ATOM 0 H ALA A 52 22.607 3.286 -10.692 1.00 0.00 H new ATOM 0 HA ALA A 52 22.357 4.300 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 52 21.830 6.443 -9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.175 5.579 -10.077 1.00 0.00 H new ATOM 0 HB3 ALA A 52 21.549 5.536 -10.800 1.00 0.00 H new ATOM 764 N GLN A 53 19.449 3.723 -9.539 1.00 0.00 N ATOM 765 CA GLN A 53 18.004 3.606 -9.328 1.00 0.00 C ATOM 766 C GLN A 53 17.683 2.620 -8.184 1.00 0.00 C ATOM 767 O GLN A 53 16.902 2.947 -7.289 1.00 0.00 O ATOM 768 CB GLN A 53 17.308 3.153 -10.633 1.00 0.00 C ATOM 769 CG GLN A 53 15.773 3.153 -10.535 1.00 0.00 C ATOM 770 CD GLN A 53 15.058 2.683 -11.795 1.00 0.00 C ATOM 771 OE1 GLN A 53 15.547 2.850 -12.912 1.00 0.00 O ATOM 772 NE2 GLN A 53 13.890 2.095 -11.618 1.00 0.00 N ATOM 0 H GLN A 53 19.765 3.329 -10.425 1.00 0.00 H new ATOM 0 HA GLN A 53 17.625 4.588 -9.044 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.613 3.811 -11.447 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.649 2.150 -10.889 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.475 2.514 -9.704 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.437 4.162 -10.297 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.517 1.975 -10.676 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.360 1.761 -12.423 1.00 0.00 H new ATOM 781 N ASP A 54 18.315 1.426 -8.224 1.00 0.00 N ATOM 782 CA ASP A 54 18.097 0.350 -7.220 1.00 0.00 C ATOM 783 C ASP A 54 18.435 0.834 -5.805 1.00 0.00 C ATOM 784 O ASP A 54 17.710 0.555 -4.851 1.00 0.00 O ATOM 785 CB ASP A 54 18.954 -0.911 -7.538 1.00 0.00 C ATOM 786 CG ASP A 54 18.585 -1.610 -8.857 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.378 -1.795 -9.126 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.495 -2.000 -9.619 1.00 0.00 O ATOM 0 H ASP A 54 18.989 1.177 -8.948 1.00 0.00 H new ATOM 0 HA ASP A 54 17.041 0.086 -7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.004 -0.622 -7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 54 18.848 -1.624 -6.720 1.00 0.00 H new ATOM 793 N ILE A 55 19.546 1.579 -5.710 1.00 0.00 N ATOM 794 CA ILE A 55 20.123 2.035 -4.432 1.00 0.00 C ATOM 795 C ILE A 55 19.316 3.209 -3.840 1.00 0.00 C ATOM 796 O ILE A 55 19.156 3.307 -2.617 1.00 0.00 O ATOM 797 CB ILE A 55 21.635 2.436 -4.630 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.403 1.283 -5.359 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.323 2.777 -3.281 1.00 0.00 C ATOM 800 CD1 ILE A 55 23.777 1.655 -5.873 1.00 0.00 C ATOM 0 H ILE A 55 20.076 1.886 -6.525 1.00 0.00 H new ATOM 0 HA ILE A 55 20.071 1.210 -3.721 1.00 0.00 H new ATOM 0 HB ILE A 55 21.664 3.335 -5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.504 0.443 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.799 0.938 -6.198 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.363 3.048 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.806 3.614 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.283 1.909 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.229 0.792 -6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.689 2.472 -6.589 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.405 1.969 -5.039 1.00 0.00 H new ATOM 812 N ALA A 56 18.798 4.078 -4.726 1.00 0.00 N ATOM 813 CA ALA A 56 17.997 5.255 -4.332 1.00 0.00 C ATOM 814 C ALA A 56 16.594 4.837 -3.846 1.00 0.00 C ATOM 815 O ALA A 56 16.105 5.333 -2.824 1.00 0.00 O ATOM 816 CB ALA A 56 17.896 6.238 -5.508 1.00 0.00 C ATOM 0 H ALA A 56 18.922 3.986 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 56 18.499 5.751 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.304 7.103 -5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.895 6.564 -5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.417 5.745 -6.354 1.00 0.00 H new ATOM 822 N GLU A 57 15.966 3.905 -4.584 1.00 0.00 N ATOM 823 CA GLU A 57 14.596 3.422 -4.295 1.00 0.00 C ATOM 824 C GLU A 57 14.593 2.282 -3.259 1.00 0.00 C ATOM 825 O GLU A 57 13.522 1.772 -2.891 1.00 0.00 O ATOM 826 CB GLU A 57 13.906 2.955 -5.600 1.00 0.00 C ATOM 827 CG GLU A 57 13.840 4.028 -6.701 1.00 0.00 C ATOM 828 CD GLU A 57 12.923 3.638 -7.872 1.00 0.00 C ATOM 829 OE1 GLU A 57 13.182 2.606 -8.526 1.00 0.00 O ATOM 830 OE2 GLU A 57 11.946 4.361 -8.155 1.00 0.00 O ATOM 0 H GLU A 57 16.391 3.463 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 57 14.039 4.257 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.438 2.086 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.893 2.630 -5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.487 4.963 -6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.845 4.212 -7.081 1.00 0.00 H new ATOM 837 N ALA A 58 15.791 1.885 -2.804 1.00 0.00 N ATOM 838 CA ALA A 58 15.955 0.830 -1.794 1.00 0.00 C ATOM 839 C ALA A 58 15.441 1.293 -0.415 1.00 0.00 C ATOM 840 O ALA A 58 16.013 2.191 0.206 1.00 0.00 O ATOM 841 CB ALA A 58 17.421 0.386 -1.696 1.00 0.00 C ATOM 0 H ALA A 58 16.672 2.286 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 58 15.357 -0.024 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.515 -0.395 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.750 0.000 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.041 1.237 -1.416 1.00 0.00 H new ATOM 847 N THR A 59 14.325 0.694 0.005 1.00 0.00 N ATOM 848 CA THR A 59 13.813 0.770 1.375 1.00 0.00 C ATOM 849 C THR A 59 14.840 0.157 2.362 1.00 0.00 C ATOM 850 O THR A 59 15.010 0.640 3.488 1.00 0.00 O ATOM 851 CB THR A 59 12.449 0.000 1.460 1.00 0.00 C ATOM 852 OG1 THR A 59 11.594 0.412 0.381 1.00 0.00 O ATOM 853 CG2 THR A 59 11.708 0.211 2.795 1.00 0.00 C ATOM 0 H THR A 59 13.739 0.130 -0.611 1.00 0.00 H new ATOM 0 HA THR A 59 13.655 1.813 1.647 1.00 0.00 H new ATOM 0 HB THR A 59 12.688 -1.061 1.389 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.657 0.341 0.661 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.773 -0.350 2.785 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.332 -0.139 3.617 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.493 1.271 2.928 1.00 0.00 H new ATOM 861 N ILE A 60 15.530 -0.916 1.906 1.00 0.00 N ATOM 862 CA ILE A 60 16.545 -1.648 2.705 1.00 0.00 C ATOM 863 C ILE A 60 17.802 -1.936 1.848 1.00 0.00 C ATOM 864 O ILE A 60 17.679 -2.211 0.652 1.00 0.00 O ATOM 865 CB ILE A 60 15.963 -3.018 3.246 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.696 -2.799 4.139 1.00 0.00 C ATOM 867 CG2 ILE A 60 17.034 -3.825 4.010 1.00 0.00 C ATOM 868 CD1 ILE A 60 14.085 -4.063 4.736 1.00 0.00 C ATOM 0 H ILE A 60 15.398 -1.300 0.970 1.00 0.00 H new ATOM 0 HA ILE A 60 16.815 -1.018 3.552 1.00 0.00 H new ATOM 0 HB ILE A 60 15.660 -3.598 2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 60 14.960 -2.125 4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 60 13.935 -2.296 3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.600 -4.759 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.868 -4.044 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.391 -3.243 4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.214 -3.798 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.782 -4.735 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.822 -4.561 5.366 1.00 0.00 H new ATOM 880 N ILE A 61 19.006 -1.860 2.479 1.00 0.00 N ATOM 881 CA ILE A 61 20.297 -2.238 1.845 1.00 0.00 C ATOM 882 C ILE A 61 21.116 -3.081 2.833 1.00 0.00 C ATOM 883 O ILE A 61 21.388 -2.621 3.930 1.00 0.00 O ATOM 884 CB ILE A 61 21.173 -0.987 1.447 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.323 0.065 0.674 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.419 -1.429 0.623 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.070 1.306 0.243 1.00 0.00 C ATOM 0 H ILE A 61 19.107 -1.535 3.441 1.00 0.00 H new ATOM 0 HA ILE A 61 20.053 -2.790 0.938 1.00 0.00 H new ATOM 0 HB ILE A 61 21.529 -0.513 2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.902 -0.412 -0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.485 0.365 1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.010 -0.552 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.027 -2.110 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.093 -1.935 -0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.391 1.974 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.468 1.814 1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.891 1.026 -0.417 1.00 0.00 H new ATOM 899 N ILE A 62 21.519 -4.302 2.446 1.00 0.00 N ATOM 900 CA ILE A 62 22.425 -5.144 3.269 1.00 0.00 C ATOM 901 C ILE A 62 23.793 -5.266 2.553 1.00 0.00 C ATOM 902 O ILE A 62 23.834 -5.364 1.334 1.00 0.00 O ATOM 903 CB ILE A 62 21.840 -6.600 3.540 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.381 -6.579 4.128 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.765 -7.396 4.490 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.268 -6.440 3.105 1.00 0.00 C ATOM 0 H ILE A 62 21.235 -4.736 1.568 1.00 0.00 H new ATOM 0 HA ILE A 62 22.533 -4.656 4.238 1.00 0.00 H new ATOM 0 HB ILE A 62 21.795 -7.091 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.221 -7.499 4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.305 -5.754 4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.345 -8.387 4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.753 -7.493 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.850 -6.870 5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.304 -6.436 3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.392 -5.506 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.307 -7.278 2.409 1.00 0.00 H new ATOM 918 N HIS A 63 24.911 -5.226 3.309 1.00 0.00 N ATOM 919 CA HIS A 63 26.255 -5.578 2.783 1.00 0.00 C ATOM 920 C HIS A 63 26.756 -6.842 3.492 1.00 0.00 C ATOM 921 O HIS A 63 27.452 -6.773 4.505 1.00 0.00 O ATOM 922 CB HIS A 63 27.280 -4.404 2.922 1.00 0.00 C ATOM 923 CG HIS A 63 27.292 -3.435 1.763 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.409 -2.687 1.475 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.325 -3.137 0.861 1.00 0.00 C ATOM 926 CE1 HIS A 63 28.096 -1.966 0.422 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.845 -2.207 0.009 1.00 0.00 N ATOM 0 H HIS A 63 24.913 -4.952 4.292 1.00 0.00 H new ATOM 0 HA HIS A 63 26.164 -5.770 1.714 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.059 -3.853 3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.279 -4.824 3.037 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.331 -3.557 0.824 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.766 -1.264 -0.053 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.373 -1.779 -0.787 1.00 0.00 H new ATOM 935 N SER A 64 26.336 -7.988 2.956 1.00 0.00 N ATOM 936 CA SER A 64 26.758 -9.312 3.418 1.00 0.00 C ATOM 937 C SER A 64 28.122 -9.653 2.813 1.00 0.00 C ATOM 938 O SER A 64 28.215 -10.326 1.781 1.00 0.00 O ATOM 939 CB SER A 64 25.705 -10.341 2.987 1.00 0.00 C ATOM 940 OG SER A 64 24.424 -9.934 3.392 1.00 0.00 O ATOM 0 H SER A 64 25.681 -8.024 2.175 1.00 0.00 H new ATOM 0 HA SER A 64 26.849 -9.324 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.729 -10.462 1.904 1.00 0.00 H new ATOM 0 HB3 SER A 64 25.939 -11.313 3.422 1.00 0.00 H new ATOM 0 HG SER A 64 24.028 -9.363 2.701 1.00 0.00 H new ATOM 946 N VAL A 65 29.195 -9.148 3.422 1.00 0.00 N ATOM 947 CA VAL A 65 30.539 -9.256 2.835 1.00 0.00 C ATOM 948 C VAL A 65 31.539 -9.901 3.799 1.00 0.00 C ATOM 949 O VAL A 65 31.287 -10.041 5.001 1.00 0.00 O ATOM 950 CB VAL A 65 31.053 -7.850 2.338 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.092 -7.253 1.277 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.255 -6.863 3.516 1.00 0.00 C ATOM 0 H VAL A 65 29.165 -8.661 4.318 1.00 0.00 H new ATOM 0 HA VAL A 65 30.460 -9.915 1.970 1.00 0.00 H new ATOM 0 HB VAL A 65 32.026 -8.005 1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.468 -6.284 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.031 -7.926 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.101 -7.129 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.610 -5.906 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.308 -6.717 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.990 -7.270 4.210 1.00 0.00 H new ATOM 962 N ALA A 66 32.648 -10.349 3.211 1.00 0.00 N ATOM 963 CA ALA A 66 33.816 -10.884 3.923 1.00 0.00 C ATOM 964 C ALA A 66 35.014 -9.948 3.683 1.00 0.00 C ATOM 965 O ALA A 66 35.916 -9.838 4.516 1.00 0.00 O ATOM 966 CB ALA A 66 34.112 -12.309 3.430 1.00 0.00 C ATOM 0 H ALA A 66 32.765 -10.351 2.198 1.00 0.00 H new ATOM 0 HA ALA A 66 33.620 -10.934 4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.979 -12.704 3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.249 -12.947 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.319 -12.288 2.360 1.00 0.00 H new ATOM 972 N VAL A 67 34.987 -9.269 2.513 1.00 0.00 N ATOM 973 CA VAL A 67 36.003 -8.291 2.067 1.00 0.00 C ATOM 974 C VAL A 67 35.289 -7.075 1.448 1.00 0.00 C ATOM 975 O VAL A 67 34.076 -7.127 1.193 1.00 0.00 O ATOM 976 CB VAL A 67 37.005 -8.911 1.011 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.888 -10.009 1.651 1.00 0.00 C ATOM 978 CG2 VAL A 67 36.253 -9.450 -0.245 1.00 0.00 C ATOM 0 H VAL A 67 34.235 -9.391 1.834 1.00 0.00 H new ATOM 0 HA VAL A 67 36.589 -7.993 2.936 1.00 0.00 H new ATOM 0 HB VAL A 67 37.664 -8.109 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.565 -10.415 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.468 -9.579 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.254 -10.807 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.973 -9.868 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 67 35.549 -10.225 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.711 -8.634 -0.723 1.00 0.00 H new ATOM 988 N THR A 68 36.053 -5.994 1.209 1.00 0.00 N ATOM 989 CA THR A 68 35.530 -4.753 0.614 1.00 0.00 C ATOM 990 C THR A 68 35.082 -4.985 -0.853 1.00 0.00 C ATOM 991 O THR A 68 35.903 -5.391 -1.682 1.00 0.00 O ATOM 992 CB THR A 68 36.602 -3.613 0.651 1.00 0.00 C ATOM 993 OG1 THR A 68 37.034 -3.409 2.001 1.00 0.00 O ATOM 994 CG2 THR A 68 36.068 -2.283 0.077 1.00 0.00 C ATOM 0 H THR A 68 37.050 -5.957 1.423 1.00 0.00 H new ATOM 0 HA THR A 68 34.668 -4.450 1.208 1.00 0.00 H new ATOM 0 HB THR A 68 37.436 -3.928 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.707 -2.697 2.025 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.850 -1.526 0.126 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.768 -2.429 -0.961 1.00 0.00 H new ATOM 0 HG23 THR A 68 35.208 -1.954 0.660 1.00 0.00 H new ATOM 1002 N PRO A 69 33.770 -4.765 -1.183 1.00 0.00 N ATOM 1003 CA PRO A 69 33.296 -4.755 -2.584 1.00 0.00 C ATOM 1004 C PRO A 69 33.763 -3.476 -3.322 1.00 0.00 C ATOM 1005 O PRO A 69 33.870 -2.413 -2.708 1.00 0.00 O ATOM 1006 CB PRO A 69 31.755 -4.815 -2.437 1.00 0.00 C ATOM 1007 CG PRO A 69 31.462 -4.207 -1.097 1.00 0.00 C ATOM 1008 CD PRO A 69 32.650 -4.538 -0.216 1.00 0.00 C ATOM 0 HA PRO A 69 33.689 -5.578 -3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.262 -4.262 -3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.394 -5.842 -2.490 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.327 -3.129 -1.180 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.541 -4.613 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.876 -3.723 0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.462 -5.424 0.391 1.00 0.00 H new ATOM 1016 N GLU A 70 34.043 -3.600 -4.634 1.00 0.00 N ATOM 1017 CA GLU A 70 34.602 -2.492 -5.454 1.00 0.00 C ATOM 1018 C GLU A 70 33.615 -1.312 -5.573 1.00 0.00 C ATOM 1019 O GLU A 70 34.028 -0.156 -5.688 1.00 0.00 O ATOM 1020 CB GLU A 70 34.986 -2.990 -6.884 1.00 0.00 C ATOM 1021 CG GLU A 70 35.829 -4.283 -6.934 1.00 0.00 C ATOM 1022 CD GLU A 70 37.115 -4.204 -6.098 1.00 0.00 C ATOM 1023 OE1 GLU A 70 37.991 -3.378 -6.431 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.248 -4.951 -5.102 1.00 0.00 O ATOM 0 H GLU A 70 33.892 -4.462 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 70 35.498 -2.144 -4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 70 34.070 -3.152 -7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.538 -2.198 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.224 -5.117 -6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 70 36.090 -4.498 -7.970 1.00 0.00 H new ATOM 1031 N ASP A 71 32.309 -1.622 -5.569 1.00 0.00 N ATOM 1032 CA ASP A 71 31.230 -0.617 -5.720 1.00 0.00 C ATOM 1033 C ASP A 71 30.564 -0.292 -4.376 1.00 0.00 C ATOM 1034 O ASP A 71 29.436 0.196 -4.354 1.00 0.00 O ATOM 1035 CB ASP A 71 30.194 -1.103 -6.772 1.00 0.00 C ATOM 1036 CG ASP A 71 30.764 -1.091 -8.196 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.387 -2.081 -8.616 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.634 -0.060 -8.893 1.00 0.00 O ATOM 0 H ASP A 71 31.965 -2.576 -5.461 1.00 0.00 H new ATOM 0 HA ASP A 71 31.674 0.312 -6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.870 -2.113 -6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.311 -0.466 -6.731 1.00 0.00 H new ATOM 1043 N ASN A 72 31.307 -0.481 -3.252 1.00 0.00 N ATOM 1044 CA ASN A 72 30.834 -0.103 -1.892 1.00 0.00 C ATOM 1045 C ASN A 72 30.562 1.427 -1.809 1.00 0.00 C ATOM 1046 O ASN A 72 29.716 1.885 -1.039 1.00 0.00 O ATOM 1047 CB ASN A 72 31.867 -0.540 -0.808 1.00 0.00 C ATOM 1048 CG ASN A 72 33.072 0.403 -0.645 1.00 0.00 C ATOM 1049 OD1 ASN A 72 33.050 1.332 0.163 1.00 0.00 O ATOM 1050 ND2 ASN A 72 34.121 0.177 -1.406 1.00 0.00 N ATOM 0 H ASN A 72 32.239 -0.895 -3.262 1.00 0.00 H new ATOM 0 HA ASN A 72 29.897 -0.626 -1.700 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.354 -0.620 0.151 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.234 -1.536 -1.057 1.00 0.00 H new ATOM 0 HD21 ASN A 72 34.942 0.778 -1.335 1.00 0.00 H new ATOM 0 HD22 ASN A 72 34.114 -0.600 -2.067 1.00 0.00 H new ATOM 1057 N GLU A 73 31.297 2.176 -2.653 1.00 0.00 N ATOM 1058 CA GLU A 73 31.187 3.641 -2.807 1.00 0.00 C ATOM 1059 C GLU A 73 29.776 4.098 -3.255 1.00 0.00 C ATOM 1060 O GLU A 73 29.364 5.221 -2.954 1.00 0.00 O ATOM 1061 CB GLU A 73 32.251 4.104 -3.829 1.00 0.00 C ATOM 1062 CG GLU A 73 32.177 3.376 -5.195 1.00 0.00 C ATOM 1063 CD GLU A 73 33.268 3.808 -6.188 1.00 0.00 C ATOM 1064 OE1 GLU A 73 34.460 3.763 -5.826 1.00 0.00 O ATOM 1065 OE2 GLU A 73 32.945 4.165 -7.335 1.00 0.00 O ATOM 0 H GLU A 73 32.004 1.768 -3.264 1.00 0.00 H new ATOM 0 HA GLU A 73 31.358 4.099 -1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.138 5.175 -3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.241 3.950 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 73 32.255 2.302 -5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 73 31.200 3.559 -5.641 1.00 0.00 H new ATOM 1072 N ARG A 74 29.052 3.214 -3.968 1.00 0.00 N ATOM 1073 CA ARG A 74 27.679 3.489 -4.450 1.00 0.00 C ATOM 1074 C ARG A 74 26.669 3.566 -3.290 1.00 0.00 C ATOM 1075 O ARG A 74 25.579 4.129 -3.430 1.00 0.00 O ATOM 1076 CB ARG A 74 27.220 2.395 -5.444 1.00 0.00 C ATOM 1077 CG ARG A 74 28.012 2.312 -6.758 1.00 0.00 C ATOM 1078 CD ARG A 74 27.347 1.353 -7.767 1.00 0.00 C ATOM 1079 NE ARG A 74 28.053 1.325 -9.059 1.00 0.00 N ATOM 1080 CZ ARG A 74 27.501 1.012 -10.244 1.00 0.00 C ATOM 1081 NH1 ARG A 74 26.222 0.672 -10.346 1.00 0.00 N ATOM 1082 NH2 ARG A 74 28.244 1.021 -11.337 1.00 0.00 N ATOM 0 H ARG A 74 29.399 2.290 -4.227 1.00 0.00 H new ATOM 0 HA ARG A 74 27.708 4.456 -4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.279 1.428 -4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.171 2.566 -5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.091 3.306 -7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.027 1.974 -6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 74 27.322 0.347 -7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 74 26.313 1.657 -7.927 1.00 0.00 H new ATOM 0 HE ARG A 74 29.045 1.563 -9.054 1.00 0.00 H new ATOM 0 HH11 ARG A 74 25.634 0.644 -9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 74 25.827 0.439 -11.257 1.00 0.00 H new ATOM 0 HH21 ARG A 74 29.233 1.265 -11.280 1.00 0.00 H new ATOM 0 HH22 ARG A 74 27.829 0.784 -12.238 1.00 0.00 H new ATOM 1096 N PHE A 75 27.049 2.969 -2.164 1.00 0.00 N ATOM 1097 CA PHE A 75 26.195 2.822 -0.970 1.00 0.00 C ATOM 1098 C PHE A 75 26.713 3.690 0.199 1.00 0.00 C ATOM 1099 O PHE A 75 26.171 3.617 1.305 1.00 0.00 O ATOM 1100 CB PHE A 75 26.170 1.323 -0.566 1.00 0.00 C ATOM 1101 CG PHE A 75 25.855 0.378 -1.726 1.00 0.00 C ATOM 1102 CD1 PHE A 75 26.876 -0.105 -2.547 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.555 -0.011 -2.009 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.604 -0.946 -3.601 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.287 -0.853 -3.063 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.312 -1.320 -3.861 1.00 0.00 C ATOM 0 H PHE A 75 27.977 2.563 -2.045 1.00 0.00 H new ATOM 0 HA PHE A 75 25.186 3.164 -1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.138 1.054 -0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.428 1.180 0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 75 27.897 0.187 -2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.744 0.351 -1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.408 -1.311 -4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.269 -1.150 -3.267 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.096 -1.979 -4.689 1.00 0.00 H new ATOM 1116 N GLU A 76 27.730 4.533 -0.089 1.00 0.00 N ATOM 1117 CA GLU A 76 28.477 5.331 0.914 1.00 0.00 C ATOM 1118 C GLU A 76 27.559 6.193 1.818 1.00 0.00 C ATOM 1119 O GLU A 76 27.707 6.195 3.048 1.00 0.00 O ATOM 1120 CB GLU A 76 29.493 6.244 0.171 1.00 0.00 C ATOM 1121 CG GLU A 76 30.401 7.121 1.068 1.00 0.00 C ATOM 1122 CD GLU A 76 31.439 6.322 1.884 1.00 0.00 C ATOM 1123 OE1 GLU A 76 31.112 5.851 2.998 1.00 0.00 O ATOM 1124 OE2 GLU A 76 32.595 6.180 1.419 1.00 0.00 O ATOM 0 H GLU A 76 28.062 4.682 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 76 28.989 4.631 1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 76 30.130 5.614 -0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 76 28.939 6.899 -0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 76 30.925 7.843 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 76 29.775 7.690 1.755 1.00 0.00 H new ATOM 1131 N SER A 77 26.614 6.916 1.197 1.00 0.00 N ATOM 1132 CA SER A 77 25.743 7.886 1.897 1.00 0.00 C ATOM 1133 C SER A 77 24.336 7.320 2.169 1.00 0.00 C ATOM 1134 O SER A 77 23.473 8.026 2.704 1.00 0.00 O ATOM 1135 CB SER A 77 25.652 9.181 1.059 1.00 0.00 C ATOM 1136 OG SER A 77 25.038 8.950 -0.200 1.00 0.00 O ATOM 0 H SER A 77 26.429 6.848 0.196 1.00 0.00 H new ATOM 0 HA SER A 77 26.187 8.100 2.869 1.00 0.00 H new ATOM 0 HB2 SER A 77 25.084 9.931 1.609 1.00 0.00 H new ATOM 0 HB3 SER A 77 26.652 9.587 0.907 1.00 0.00 H new ATOM 0 HG SER A 77 24.996 9.790 -0.702 1.00 0.00 H new ATOM 1142 N ARG A 78 24.114 6.041 1.832 1.00 0.00 N ATOM 1143 CA ARG A 78 22.776 5.410 1.923 1.00 0.00 C ATOM 1144 C ARG A 78 22.664 4.527 3.183 1.00 0.00 C ATOM 1145 O ARG A 78 23.680 4.172 3.787 1.00 0.00 O ATOM 1146 CB ARG A 78 22.502 4.598 0.627 1.00 0.00 C ATOM 1147 CG ARG A 78 22.665 5.403 -0.685 1.00 0.00 C ATOM 1148 CD ARG A 78 21.752 6.641 -0.755 1.00 0.00 C ATOM 1149 NE ARG A 78 21.975 7.407 -1.994 1.00 0.00 N ATOM 1150 CZ ARG A 78 21.771 8.728 -2.153 1.00 0.00 C ATOM 1151 NH1 ARG A 78 21.305 9.481 -1.159 1.00 0.00 N ATOM 1152 NH2 ARG A 78 22.045 9.296 -3.316 1.00 0.00 N ATOM 0 H ARG A 78 24.844 5.415 1.491 1.00 0.00 H new ATOM 0 HA ARG A 78 22.017 6.187 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 78 23.178 3.743 0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.488 4.201 0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 78 23.703 5.720 -0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.449 4.752 -1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.709 6.329 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.938 7.281 0.108 1.00 0.00 H new ATOM 0 HE ARG A 78 22.315 6.889 -2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 78 21.095 9.059 -0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 78 21.158 10.480 -1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 78 22.408 8.733 -4.085 1.00 0.00 H new ATOM 0 HH22 ARG A 78 21.893 10.297 -3.443 1.00 0.00 H new ATOM 1166 N ASP A 79 21.416 4.191 3.578 1.00 0.00 N ATOM 1167 CA ASP A 79 21.133 3.405 4.800 1.00 0.00 C ATOM 1168 C ASP A 79 21.438 1.914 4.569 1.00 0.00 C ATOM 1169 O ASP A 79 20.587 1.151 4.085 1.00 0.00 O ATOM 1170 CB ASP A 79 19.663 3.612 5.271 1.00 0.00 C ATOM 1171 CG ASP A 79 19.375 5.059 5.714 1.00 0.00 C ATOM 1172 OD1 ASP A 79 19.968 5.509 6.722 1.00 0.00 O ATOM 1173 OD2 ASP A 79 18.553 5.751 5.069 1.00 0.00 O ATOM 0 H ASP A 79 20.578 4.456 3.060 1.00 0.00 H new ATOM 0 HA ASP A 79 21.787 3.765 5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.986 3.344 4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.453 2.935 6.099 1.00 0.00 H new ATOM 1178 N VAL A 80 22.687 1.524 4.887 1.00 0.00 N ATOM 1179 CA VAL A 80 23.204 0.164 4.659 1.00 0.00 C ATOM 1180 C VAL A 80 23.396 -0.577 5.995 1.00 0.00 C ATOM 1181 O VAL A 80 23.689 0.042 7.027 1.00 0.00 O ATOM 1182 CB VAL A 80 24.563 0.203 3.867 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.046 -1.212 3.486 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.449 1.098 2.618 1.00 0.00 C ATOM 0 H VAL A 80 23.370 2.150 5.313 1.00 0.00 H new ATOM 0 HA VAL A 80 22.469 -0.374 4.060 1.00 0.00 H new ATOM 0 HB VAL A 80 25.311 0.636 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 80 25.987 -1.141 2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.195 -1.802 4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.298 -1.695 2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.402 1.107 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.673 0.707 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.192 2.113 2.920 1.00 0.00 H new ATOM 1194 N TYR A 81 23.224 -1.913 5.952 1.00 0.00 N ATOM 1195 CA TYR A 81 23.320 -2.801 7.118 1.00 0.00 C ATOM 1196 C TYR A 81 24.417 -3.842 6.855 1.00 0.00 C ATOM 1197 O TYR A 81 24.166 -4.895 6.258 1.00 0.00 O ATOM 1198 CB TYR A 81 21.931 -3.445 7.404 1.00 0.00 C ATOM 1199 CG TYR A 81 20.841 -2.376 7.619 1.00 0.00 C ATOM 1200 CD1 TYR A 81 20.671 -1.762 8.857 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.035 -1.936 6.563 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.736 -0.757 9.032 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.104 -0.941 6.735 1.00 0.00 C ATOM 1204 CZ TYR A 81 18.954 -0.351 7.966 1.00 0.00 C ATOM 1205 OH TYR A 81 18.013 0.640 8.132 1.00 0.00 O ATOM 0 H TYR A 81 23.011 -2.410 5.087 1.00 0.00 H new ATOM 0 HA TYR A 81 23.598 -2.244 8.013 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.650 -4.089 6.571 1.00 0.00 H new ATOM 0 HB3 TYR A 81 21.999 -4.079 8.288 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.278 -2.075 9.694 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.148 -2.390 5.589 1.00 0.00 H new ATOM 0 HE1 TYR A 81 19.617 -0.291 9.999 1.00 0.00 H new ATOM 0 HE2 TYR A 81 18.491 -0.623 5.904 1.00 0.00 H new ATOM 0 HH TYR A 81 17.554 0.801 7.281 1.00 0.00 H new ATOM 1215 N GLU A 82 25.653 -3.487 7.252 1.00 0.00 N ATOM 1216 CA GLU A 82 26.851 -4.299 6.995 1.00 0.00 C ATOM 1217 C GLU A 82 26.958 -5.467 7.985 1.00 0.00 C ATOM 1218 O GLU A 82 26.975 -5.274 9.203 1.00 0.00 O ATOM 1219 CB GLU A 82 28.125 -3.425 7.048 1.00 0.00 C ATOM 1220 CG GLU A 82 28.210 -2.370 5.931 1.00 0.00 C ATOM 1221 CD GLU A 82 29.567 -1.655 5.887 1.00 0.00 C ATOM 1222 OE1 GLU A 82 30.539 -2.240 5.358 1.00 0.00 O ATOM 1223 OE2 GLU A 82 29.685 -0.530 6.423 1.00 0.00 O ATOM 0 H GLU A 82 25.847 -2.625 7.762 1.00 0.00 H new ATOM 0 HA GLU A 82 26.759 -4.718 5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.167 -2.921 8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 82 29.000 -4.073 6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 82 28.027 -2.850 4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.421 -1.632 6.074 1.00 0.00 H new ATOM 1230 N ILE A 83 27.012 -6.676 7.424 1.00 0.00 N ATOM 1231 CA ILE A 83 27.153 -7.944 8.162 1.00 0.00 C ATOM 1232 C ILE A 83 28.200 -8.829 7.445 1.00 0.00 C ATOM 1233 O ILE A 83 28.815 -8.405 6.449 1.00 0.00 O ATOM 1234 CB ILE A 83 25.780 -8.721 8.242 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.256 -9.032 6.805 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.715 -7.945 9.074 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.063 -9.953 6.751 1.00 0.00 C ATOM 0 H ILE A 83 26.958 -6.810 6.414 1.00 0.00 H new ATOM 0 HA ILE A 83 27.474 -7.717 9.179 1.00 0.00 H new ATOM 0 HB ILE A 83 25.958 -9.662 8.763 1.00 0.00 H new ATOM 0 HG12 ILE A 83 24.994 -8.093 6.318 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.066 -9.476 6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.788 -8.517 9.102 1.00 0.00 H new ATOM 0 HG22 ILE A 83 25.082 -7.800 10.090 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.529 -6.975 8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 83 23.771 -10.110 5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.321 -10.910 7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.233 -9.505 7.297 1.00 0.00 H new ATOM 1249 N THR A 84 28.398 -10.058 7.951 1.00 0.00 N ATOM 1250 CA THR A 84 29.199 -11.073 7.255 1.00 0.00 C ATOM 1251 C THR A 84 28.359 -11.762 6.178 1.00 0.00 C ATOM 1252 O THR A 84 27.128 -11.850 6.291 1.00 0.00 O ATOM 1253 CB THR A 84 29.776 -12.148 8.229 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.742 -12.667 9.079 1.00 0.00 O ATOM 1255 CG2 THR A 84 30.912 -11.573 9.076 1.00 0.00 C ATOM 0 H THR A 84 28.012 -10.371 8.842 1.00 0.00 H new ATOM 0 HA THR A 84 30.041 -10.553 6.798 1.00 0.00 H new ATOM 0 HB THR A 84 30.178 -12.962 7.625 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.121 -13.341 9.682 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.294 -12.345 9.745 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.714 -11.229 8.423 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.539 -10.735 9.665 1.00 0.00 H new ATOM 1263 N LEU A 85 29.047 -12.251 5.134 1.00 0.00 N ATOM 1264 CA LEU A 85 28.415 -13.028 4.045 1.00 0.00 C ATOM 1265 C LEU A 85 27.830 -14.355 4.577 1.00 0.00 C ATOM 1266 O LEU A 85 26.829 -14.859 4.059 1.00 0.00 O ATOM 1267 CB LEU A 85 29.454 -13.247 2.905 1.00 0.00 C ATOM 1268 CG LEU A 85 28.887 -13.713 1.513 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.707 -13.134 0.344 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.809 -15.248 1.405 1.00 0.00 C ATOM 0 H LEU A 85 30.052 -12.122 5.017 1.00 0.00 H new ATOM 0 HA LEU A 85 27.573 -12.470 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.998 -12.314 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.179 -13.988 3.243 1.00 0.00 H new ATOM 0 HG LEU A 85 27.872 -13.322 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.286 -13.477 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.675 -12.045 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.741 -13.469 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.412 -15.524 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.806 -15.672 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.154 -15.635 2.185 1.00 0.00 H new ATOM 1282 N GLN A 86 28.470 -14.879 5.639 1.00 0.00 N ATOM 1283 CA GLN A 86 28.027 -16.087 6.348 1.00 0.00 C ATOM 1284 C GLN A 86 26.654 -15.863 7.007 1.00 0.00 C ATOM 1285 O GLN A 86 25.760 -16.712 6.889 1.00 0.00 O ATOM 1286 CB GLN A 86 29.087 -16.473 7.417 1.00 0.00 C ATOM 1287 CG GLN A 86 28.733 -17.710 8.272 1.00 0.00 C ATOM 1288 CD GLN A 86 29.884 -18.163 9.173 1.00 0.00 C ATOM 1289 OE1 GLN A 86 30.708 -18.993 8.778 1.00 0.00 O ATOM 1290 NE2 GLN A 86 29.970 -17.606 10.374 1.00 0.00 N ATOM 0 H GLN A 86 29.318 -14.469 6.031 1.00 0.00 H new ATOM 0 HA GLN A 86 27.923 -16.901 5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.037 -16.657 6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.237 -15.622 8.081 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.864 -17.482 8.889 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.450 -18.531 7.613 1.00 0.00 H new ATOM 0 HE21 GLN A 86 29.273 -16.923 10.671 1.00 0.00 H new ATOM 0 HE22 GLN A 86 30.733 -17.861 11.001 1.00 0.00 H new ATOM 1299 N ASP A 87 26.489 -14.695 7.670 1.00 0.00 N ATOM 1300 CA ASP A 87 25.246 -14.352 8.400 1.00 0.00 C ATOM 1301 C ASP A 87 24.040 -14.320 7.448 1.00 0.00 C ATOM 1302 O ASP A 87 22.931 -14.657 7.839 1.00 0.00 O ATOM 1303 CB ASP A 87 25.374 -12.990 9.143 1.00 0.00 C ATOM 1304 CG ASP A 87 24.314 -12.816 10.258 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.231 -13.707 11.140 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.574 -11.808 10.270 1.00 0.00 O ATOM 0 H ASP A 87 27.206 -13.970 7.714 1.00 0.00 H new ATOM 0 HA ASP A 87 25.086 -15.131 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.370 -12.911 9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.275 -12.177 8.423 1.00 0.00 H new ATOM 1311 N ALA A 88 24.297 -13.931 6.193 1.00 0.00 N ATOM 1312 CA ALA A 88 23.283 -13.864 5.126 1.00 0.00 C ATOM 1313 C ALA A 88 22.737 -15.246 4.738 1.00 0.00 C ATOM 1314 O ALA A 88 21.554 -15.381 4.421 1.00 0.00 O ATOM 1315 CB ALA A 88 23.889 -13.184 3.908 1.00 0.00 C ATOM 0 H ALA A 88 25.227 -13.649 5.883 1.00 0.00 H new ATOM 0 HA ALA A 88 22.439 -13.289 5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.145 -13.130 3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.208 -12.177 4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.749 -13.757 3.562 1.00 0.00 H new ATOM 1321 N ILE A 89 23.616 -16.253 4.766 1.00 0.00 N ATOM 1322 CA ILE A 89 23.278 -17.628 4.359 1.00 0.00 C ATOM 1323 C ILE A 89 22.451 -18.336 5.462 1.00 0.00 C ATOM 1324 O ILE A 89 21.522 -19.091 5.159 1.00 0.00 O ATOM 1325 CB ILE A 89 24.592 -18.446 4.037 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.460 -17.693 2.974 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.268 -19.885 3.551 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.867 -18.236 2.778 1.00 0.00 C ATOM 0 H ILE A 89 24.583 -16.142 5.071 1.00 0.00 H new ATOM 0 HA ILE A 89 22.671 -17.581 3.455 1.00 0.00 H new ATOM 0 HB ILE A 89 25.162 -18.530 4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 89 24.940 -17.725 2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.530 -16.645 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.197 -20.415 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.716 -20.415 4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.664 -19.836 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.383 -17.645 2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.414 -18.178 3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.814 -19.275 2.453 1.00 0.00 H new ATOM 1340 N LYS A 90 22.798 -18.077 6.737 1.00 0.00 N ATOM 1341 CA LYS A 90 22.133 -18.718 7.900 1.00 0.00 C ATOM 1342 C LYS A 90 20.892 -17.924 8.370 1.00 0.00 C ATOM 1343 O LYS A 90 19.776 -18.456 8.401 1.00 0.00 O ATOM 1344 CB LYS A 90 23.135 -18.914 9.083 1.00 0.00 C ATOM 1345 CG LYS A 90 23.985 -17.673 9.460 1.00 0.00 C ATOM 1346 CD LYS A 90 24.692 -17.762 10.838 1.00 0.00 C ATOM 1347 CE LYS A 90 25.663 -18.957 10.983 1.00 0.00 C ATOM 1348 NZ LYS A 90 24.964 -20.254 11.233 1.00 0.00 N ATOM 0 H LYS A 90 23.539 -17.425 6.994 1.00 0.00 H new ATOM 0 HA LYS A 90 21.790 -19.698 7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.572 -19.226 9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 90 23.811 -19.731 8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.740 -17.520 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.341 -16.794 9.454 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.244 -16.838 11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 90 23.934 -17.829 11.618 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.262 -19.043 10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.353 -18.759 11.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 25.488 -20.799 11.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 24.000 -20.068 11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 24.917 -20.799 10.348 1.00 0.00 H new ATOM 1362 N ASN A 91 21.100 -16.643 8.703 1.00 0.00 N ATOM 1363 CA ASN A 91 20.101 -15.790 9.378 1.00 0.00 C ATOM 1364 C ASN A 91 19.359 -14.905 8.353 1.00 0.00 C ATOM 1365 O ASN A 91 18.898 -13.823 8.696 1.00 0.00 O ATOM 1366 CB ASN A 91 20.826 -14.898 10.439 1.00 0.00 C ATOM 1367 CG ASN A 91 19.870 -14.187 11.418 1.00 0.00 C ATOM 1368 OD1 ASN A 91 18.899 -14.770 11.903 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.104 -12.907 11.660 1.00 0.00 N ATOM 0 H ASN A 91 21.977 -16.160 8.510 1.00 0.00 H new ATOM 0 HA ASN A 91 19.364 -16.422 9.873 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.518 -15.518 11.009 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.423 -14.148 9.921 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.473 -12.378 12.261 1.00 0.00 H new ATOM 0 HD22 ASN A 91 20.916 -12.450 11.245 1.00 0.00 H new ATOM 1376 N ALA A 92 19.218 -15.399 7.105 1.00 0.00 N ATOM 1377 CA ALA A 92 18.600 -14.659 5.976 1.00 0.00 C ATOM 1378 C ALA A 92 17.306 -13.914 6.369 1.00 0.00 C ATOM 1379 O ALA A 92 17.258 -12.670 6.362 1.00 0.00 O ATOM 1380 CB ALA A 92 18.315 -15.639 4.833 1.00 0.00 C ATOM 0 H ALA A 92 19.533 -16.334 6.846 1.00 0.00 H new ATOM 0 HA ALA A 92 19.310 -13.894 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 92 17.861 -15.103 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.248 -16.097 4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.633 -16.415 5.181 1.00 0.00 H new ATOM 1386 N ALA A 93 16.296 -14.697 6.774 1.00 0.00 N ATOM 1387 CA ALA A 93 14.981 -14.180 7.180 1.00 0.00 C ATOM 1388 C ALA A 93 15.095 -13.263 8.404 1.00 0.00 C ATOM 1389 O ALA A 93 14.367 -12.272 8.506 1.00 0.00 O ATOM 1390 CB ALA A 93 14.027 -15.352 7.445 1.00 0.00 C ATOM 0 H ALA A 93 16.369 -15.713 6.829 1.00 0.00 H new ATOM 0 HA ALA A 93 14.576 -13.575 6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.053 -14.967 7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 93 13.918 -15.945 6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.431 -15.978 8.241 1.00 0.00 H new ATOM 1396 N GLY A 94 16.054 -13.596 9.299 1.00 0.00 N ATOM 1397 CA GLY A 94 16.292 -12.843 10.527 1.00 0.00 C ATOM 1398 C GLY A 94 16.754 -11.416 10.259 1.00 0.00 C ATOM 1399 O GLY A 94 16.201 -10.478 10.818 1.00 0.00 O ATOM 0 H GLY A 94 16.677 -14.395 9.180 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.376 -12.820 11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.044 -13.358 11.125 1.00 0.00 H new ATOM 1403 N ILE A 95 17.739 -11.267 9.356 1.00 0.00 N ATOM 1404 CA ILE A 95 18.351 -9.967 9.009 1.00 0.00 C ATOM 1405 C ILE A 95 17.303 -9.024 8.416 1.00 0.00 C ATOM 1406 O ILE A 95 17.138 -7.899 8.900 1.00 0.00 O ATOM 1407 CB ILE A 95 19.518 -10.167 7.974 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.624 -11.105 8.556 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.135 -8.809 7.521 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.357 -11.894 7.504 1.00 0.00 C ATOM 0 H ILE A 95 18.138 -12.051 8.840 1.00 0.00 H new ATOM 0 HA ILE A 95 18.753 -9.528 9.922 1.00 0.00 H new ATOM 0 HB ILE A 95 19.087 -10.641 7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.342 -10.504 9.114 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.167 -11.796 9.265 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.937 -8.994 6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.364 -8.198 7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.536 -8.284 8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.110 -12.523 7.979 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.650 -12.521 6.961 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.843 -11.210 6.809 1.00 0.00 H new ATOM 1422 N ILE A 96 16.599 -9.507 7.368 1.00 0.00 N ATOM 1423 CA ILE A 96 15.574 -8.716 6.664 1.00 0.00 C ATOM 1424 C ILE A 96 14.506 -8.214 7.656 1.00 0.00 C ATOM 1425 O ILE A 96 14.243 -7.013 7.705 1.00 0.00 O ATOM 1426 CB ILE A 96 14.908 -9.518 5.465 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.845 -9.535 4.205 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.516 -8.955 5.065 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.090 -10.385 4.297 1.00 0.00 C ATOM 0 H ILE A 96 16.726 -10.447 6.992 1.00 0.00 H new ATOM 0 HA ILE A 96 16.075 -7.854 6.223 1.00 0.00 H new ATOM 0 HB ILE A 96 14.765 -10.536 5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.261 -9.878 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 96 16.148 -8.510 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.109 -9.542 4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.841 -9.012 5.919 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.620 -7.916 4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.650 -10.312 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.710 -10.034 5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.809 -11.424 4.471 1.00 0.00 H new ATOM 1441 N LYS A 97 13.946 -9.138 8.475 1.00 0.00 N ATOM 1442 CA LYS A 97 12.846 -8.812 9.419 1.00 0.00 C ATOM 1443 C LYS A 97 13.322 -7.878 10.553 1.00 0.00 C ATOM 1444 O LYS A 97 12.517 -7.118 11.099 1.00 0.00 O ATOM 1445 CB LYS A 97 12.171 -10.113 9.978 1.00 0.00 C ATOM 1446 CG LYS A 97 12.997 -10.936 11.013 1.00 0.00 C ATOM 1447 CD LYS A 97 12.766 -10.513 12.483 1.00 0.00 C ATOM 1448 CE LYS A 97 13.612 -11.313 13.479 1.00 0.00 C ATOM 1449 NZ LYS A 97 13.463 -10.781 14.857 1.00 0.00 N ATOM 0 H LYS A 97 14.237 -10.115 8.501 1.00 0.00 H new ATOM 0 HA LYS A 97 12.086 -8.266 8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.225 -9.834 10.441 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.934 -10.763 9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.746 -11.991 10.906 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.057 -10.835 10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.995 -9.453 12.590 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.711 -10.637 12.729 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.312 -12.361 13.456 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.660 -11.275 13.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.485 -11.568 15.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.243 -10.124 15.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.556 -10.278 14.939 1.00 0.00 H new ATOM 1463 N GLU A 98 14.632 -7.958 10.906 1.00 0.00 N ATOM 1464 CA GLU A 98 15.269 -7.045 11.890 1.00 0.00 C ATOM 1465 C GLU A 98 15.205 -5.606 11.380 1.00 0.00 C ATOM 1466 O GLU A 98 14.997 -4.660 12.152 1.00 0.00 O ATOM 1467 CB GLU A 98 16.757 -7.432 12.158 1.00 0.00 C ATOM 1468 CG GLU A 98 16.988 -8.621 13.111 1.00 0.00 C ATOM 1469 CD GLU A 98 16.417 -8.442 14.528 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.515 -7.341 15.098 1.00 0.00 O ATOM 1471 OE2 GLU A 98 15.890 -9.422 15.089 1.00 0.00 O ATOM 0 H GLU A 98 15.271 -8.652 10.519 1.00 0.00 H new ATOM 0 HA GLU A 98 14.720 -7.135 12.827 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.229 -7.661 11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.270 -6.561 12.566 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.545 -9.513 12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.060 -8.802 13.188 1.00 0.00 H new ATOM 1478 N ILE A 99 15.371 -5.461 10.062 1.00 0.00 N ATOM 1479 CA ILE A 99 15.373 -4.158 9.413 1.00 0.00 C ATOM 1480 C ILE A 99 13.931 -3.675 9.224 1.00 0.00 C ATOM 1481 O ILE A 99 13.650 -2.496 9.419 1.00 0.00 O ATOM 1482 CB ILE A 99 16.142 -4.202 8.049 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.573 -4.820 8.252 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.229 -2.781 7.439 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.262 -5.286 6.978 1.00 0.00 C ATOM 0 H ILE A 99 15.507 -6.244 9.422 1.00 0.00 H new ATOM 0 HA ILE A 99 15.899 -3.449 10.052 1.00 0.00 H new ATOM 0 HB ILE A 99 15.595 -4.837 7.352 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.206 -4.078 8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.493 -5.667 8.934 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.766 -2.824 6.491 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.224 -2.396 7.270 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.759 -2.122 8.126 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.242 -5.696 7.223 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.657 -6.055 6.497 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.382 -4.442 6.299 1.00 0.00 H new ATOM 1497 N GLU A 100 13.023 -4.615 8.897 1.00 0.00 N ATOM 1498 CA GLU A 100 11.588 -4.326 8.717 1.00 0.00 C ATOM 1499 C GLU A 100 10.975 -3.760 10.007 1.00 0.00 C ATOM 1500 O GLU A 100 10.177 -2.828 9.950 1.00 0.00 O ATOM 1501 CB GLU A 100 10.789 -5.588 8.308 1.00 0.00 C ATOM 1502 CG GLU A 100 11.266 -6.291 7.031 1.00 0.00 C ATOM 1503 CD GLU A 100 10.254 -7.333 6.530 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.322 -8.501 6.966 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.355 -6.969 5.737 1.00 0.00 O ATOM 0 H GLU A 100 13.264 -5.595 8.750 1.00 0.00 H new ATOM 0 HA GLU A 100 11.521 -3.589 7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.827 -6.302 9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.744 -5.308 8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.437 -5.548 6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.222 -6.778 7.222 1.00 0.00 H new ATOM 1512 N GLU A 101 11.359 -4.340 11.164 1.00 0.00 N ATOM 1513 CA GLU A 101 10.834 -3.921 12.478 1.00 0.00 C ATOM 1514 C GLU A 101 11.452 -2.579 12.917 1.00 0.00 C ATOM 1515 O GLU A 101 10.786 -1.791 13.584 1.00 0.00 O ATOM 1516 CB GLU A 101 11.033 -5.025 13.553 1.00 0.00 C ATOM 1517 CG GLU A 101 12.489 -5.347 13.919 1.00 0.00 C ATOM 1518 CD GLU A 101 12.617 -6.519 14.909 1.00 0.00 C ATOM 1519 OE1 GLU A 101 12.344 -6.316 16.115 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.954 -7.652 14.490 1.00 0.00 O ATOM 0 H GLU A 101 12.034 -5.103 11.213 1.00 0.00 H new ATOM 0 HA GLU A 101 9.760 -3.771 12.373 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.509 -4.722 14.459 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.556 -5.939 13.200 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.042 -5.585 13.010 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.953 -4.461 14.352 1.00 0.00 H new ATOM 1527 N MET A 102 12.720 -2.320 12.521 1.00 0.00 N ATOM 1528 CA MET A 102 13.374 -1.005 12.743 1.00 0.00 C ATOM 1529 C MET A 102 12.686 0.101 11.922 1.00 0.00 C ATOM 1530 O MET A 102 12.519 1.224 12.406 1.00 0.00 O ATOM 1531 CB MET A 102 14.895 -1.060 12.417 1.00 0.00 C ATOM 1532 CG MET A 102 15.747 -1.791 13.469 1.00 0.00 C ATOM 1533 SD MET A 102 17.526 -1.663 13.160 1.00 0.00 S ATOM 1534 CE MET A 102 17.679 -2.409 11.537 1.00 0.00 C ATOM 0 H MET A 102 13.312 -3.002 12.047 1.00 0.00 H new ATOM 0 HA MET A 102 13.267 -0.765 13.801 1.00 0.00 H new ATOM 0 HB2 MET A 102 15.030 -1.552 11.454 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.268 -0.041 12.310 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.526 -1.382 14.455 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.463 -2.843 13.490 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.731 -2.459 11.257 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.261 -3.415 11.558 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.138 -1.807 10.807 1.00 0.00 H new ATOM 1544 N ILE A 103 12.268 -0.244 10.691 1.00 0.00 N ATOM 1545 CA ILE A 103 11.506 0.664 9.814 1.00 0.00 C ATOM 1546 C ILE A 103 10.084 0.867 10.389 1.00 0.00 C ATOM 1547 O ILE A 103 9.577 1.984 10.446 1.00 0.00 O ATOM 1548 CB ILE A 103 11.458 0.130 8.332 1.00 0.00 C ATOM 1549 CG1 ILE A 103 12.913 0.052 7.740 1.00 0.00 C ATOM 1550 CG2 ILE A 103 10.522 0.984 7.432 1.00 0.00 C ATOM 1551 CD1 ILE A 103 13.001 -0.361 6.276 1.00 0.00 C ATOM 0 H ILE A 103 12.448 -1.158 10.276 1.00 0.00 H new ATOM 0 HA ILE A 103 12.013 1.628 9.783 1.00 0.00 H new ATOM 0 HB ILE A 103 11.035 -0.874 8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.386 1.027 7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.492 -0.655 8.335 1.00 0.00 H new ATOM 0 HG21 ILE A 103 10.521 0.579 6.420 1.00 0.00 H new ATOM 0 HG22 ILE A 103 9.509 0.960 7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.879 2.014 7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.046 -0.384 5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.564 -1.351 6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 103 12.457 0.357 5.662 1.00 0.00 H new ATOM 1563 N ALA A 104 9.491 -0.227 10.891 1.00 0.00 N ATOM 1564 CA ALA A 104 8.162 -0.211 11.535 1.00 0.00 C ATOM 1565 C ALA A 104 8.200 0.553 12.874 1.00 0.00 C ATOM 1566 O ALA A 104 7.163 0.959 13.383 1.00 0.00 O ATOM 1567 CB ALA A 104 7.665 -1.649 11.756 1.00 0.00 C ATOM 0 H ALA A 104 9.919 -1.153 10.863 1.00 0.00 H new ATOM 0 HA ALA A 104 7.470 0.308 10.872 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.684 -1.626 12.231 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.591 -2.160 10.796 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.367 -2.182 12.398 1.00 0.00 H new ATOM 1573 N SER A 105 9.405 0.731 13.430 1.00 0.00 N ATOM 1574 CA SER A 105 9.615 1.453 14.690 1.00 0.00 C ATOM 1575 C SER A 105 9.765 2.965 14.437 1.00 0.00 C ATOM 1576 O SER A 105 9.225 3.777 15.187 1.00 0.00 O ATOM 1577 CB SER A 105 10.862 0.887 15.410 1.00 0.00 C ATOM 1578 OG SER A 105 11.068 1.492 16.678 1.00 0.00 O ATOM 0 H SER A 105 10.267 0.376 13.015 1.00 0.00 H new ATOM 0 HA SER A 105 8.744 1.311 15.329 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.749 -0.190 15.537 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.742 1.044 14.787 1.00 0.00 H new ATOM 0 HG SER A 105 11.864 1.105 17.099 1.00 0.00 H new ATOM 1584 N GLU A 106 10.507 3.333 13.374 1.00 0.00 N ATOM 1585 CA GLU A 106 10.796 4.751 13.047 1.00 0.00 C ATOM 1586 C GLU A 106 9.582 5.438 12.386 1.00 0.00 C ATOM 1587 O GLU A 106 9.407 6.655 12.516 1.00 0.00 O ATOM 1588 CB GLU A 106 12.051 4.858 12.132 1.00 0.00 C ATOM 1589 CG GLU A 106 11.921 4.125 10.788 1.00 0.00 C ATOM 1590 CD GLU A 106 13.153 4.217 9.873 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.293 4.142 10.379 1.00 0.00 O ATOM 1592 OE2 GLU A 106 12.985 4.355 8.640 1.00 0.00 O ATOM 0 H GLU A 106 10.921 2.667 12.722 1.00 0.00 H new ATOM 0 HA GLU A 106 11.002 5.271 13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.256 5.911 11.939 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.912 4.458 12.668 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.711 3.074 10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.060 4.528 10.254 1.00 0.00 H new ATOM 1599 N GLN A 107 8.749 4.648 11.684 1.00 0.00 N ATOM 1600 CA GLN A 107 7.554 5.162 10.985 1.00 0.00 C ATOM 1601 C GLN A 107 6.332 5.180 11.920 1.00 0.00 C ATOM 1602 O GLN A 107 5.502 6.096 11.846 1.00 0.00 O ATOM 1603 CB GLN A 107 7.258 4.331 9.711 1.00 0.00 C ATOM 1604 CG GLN A 107 8.428 4.261 8.701 1.00 0.00 C ATOM 1605 CD GLN A 107 8.951 5.628 8.249 1.00 0.00 C ATOM 1606 OE1 GLN A 107 8.202 6.596 8.130 1.00 0.00 O ATOM 1607 NE2 GLN A 107 10.248 5.712 7.990 1.00 0.00 N ATOM 0 H GLN A 107 8.883 3.642 11.585 1.00 0.00 H new ATOM 0 HA GLN A 107 7.761 6.188 10.681 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.991 3.317 10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.388 4.756 9.210 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.248 3.701 9.151 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.103 3.701 7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.844 4.891 8.098 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.650 6.597 7.683 1.00 0.00 H new ATOM 1616 N GLN A 108 6.226 4.164 12.792 1.00 0.00 N ATOM 1617 CA GLN A 108 5.153 4.080 13.805 1.00 0.00 C ATOM 1618 C GLN A 108 5.701 4.590 15.161 1.00 0.00 C ATOM 1619 O GLN A 108 5.568 5.796 15.449 1.00 0.00 O ATOM 1620 CB GLN A 108 4.614 2.617 13.903 1.00 0.00 C ATOM 1621 CG GLN A 108 4.075 2.036 12.575 1.00 0.00 C ATOM 1622 CD GLN A 108 2.870 2.793 12.007 1.00 0.00 C ATOM 1623 OE1 GLN A 108 2.037 3.318 12.747 1.00 0.00 O ATOM 1624 NE2 GLN A 108 2.777 2.879 10.688 1.00 0.00 N ATOM 1625 OXT GLN A 108 6.294 3.801 15.917 1.00 0.00 O ATOM 0 H GLN A 108 6.877 3.379 12.817 1.00 0.00 H new ATOM 0 HA GLN A 108 4.312 4.710 13.516 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.415 1.973 14.267 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.818 2.587 14.647 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.876 2.042 11.836 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.795 0.994 12.733 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.480 2.435 10.097 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.002 3.389 10.264 1.00 0.00 H new TER 1634 GLN A 108