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+ 142:sc= 0.978 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= 1.09 K(o=2.1,f=-3.2!) USER MOD Set 2.1: A 11 CYS SG : rot 36:sc= -4.07! USER MOD Set 2.2: A 17 HIS : no HE2:sc= -2.64 K(o=-6.7,f=-16!) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.118 (180deg=-0.587) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 47:sc= 0.204 USER MOD Single : A 3 LYS NZ :NH3+ -160:sc= 0.671 (180deg=0.129) USER MOD Single : A 4 LYS NZ :NH3+ 138:sc= 1.28 (180deg=-0.255) USER MOD Single : A 9 CYS SG : rot 40:sc= -0.144 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -14:sc= -0.292 USER MOD Single : A 20 MET CE :methyl -135:sc= -1.38 (180deg=-2.01!) USER MOD Single : A 23 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.014) USER MOD Single : A 34 TYR OH : rot -149:sc= -1.82 USER MOD Single : A 40 THR OG1 : rot -130:sc= -1.04 USER MOD Single : A 41 GLN :FLIP amide:sc= -1.61 F(o=-3.9!,f=-1.6) USER MOD Single : A 47 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.0048) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 53 GLN : amide:sc= -0.382 K(o=-0.38,f=-4.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 63 HIS : no HD1:sc= -0.341 K(o=-0.34,f=-0.96) USER MOD Single : A 64 SER OG : rot 88:sc= -2.13! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.446 X(o=0.45,f=0) USER MOD Single : A 77 SER OG : rot -18:sc= 0.275 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -142:sc= -0.3 (180deg=-2.08!) USER MOD Single : A 91 ASN : amide:sc= -0.643 X(o=-0.64,f=-1.1) USER MOD Single : A 97 LYS NZ :NH3+ -156:sc= 0.899 (180deg=0.706) USER MOD Single : A 102 MET CE :methyl -174:sc= -1.13 (180deg=-1.52) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.353 K(o=-0.35,f=-3.9!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.835 0.705 0.432 1.00 0.00 N ATOM 2 CA MET A 1 3.320 -0.639 0.066 1.00 0.00 C ATOM 3 C MET A 1 4.354 -1.363 -0.812 1.00 0.00 C ATOM 4 O MET A 1 4.910 -2.396 -0.415 1.00 0.00 O ATOM 5 CB MET A 1 1.958 -0.516 -0.665 1.00 0.00 C ATOM 6 CG MET A 1 1.287 -1.853 -1.024 1.00 0.00 C ATOM 7 SD MET A 1 -0.228 -1.641 -1.990 1.00 0.00 S ATOM 8 CE MET A 1 0.388 -0.879 -3.494 1.00 0.00 C ATOM 0 H1 MET A 1 3.136 1.195 1.026 1.00 0.00 H new ATOM 0 H2 MET A 1 4.726 0.604 0.958 1.00 0.00 H new ATOM 0 H3 MET A 1 4.004 1.259 -0.432 1.00 0.00 H new ATOM 0 HA MET A 1 3.160 -1.223 0.972 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.277 0.058 -0.037 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.105 0.056 -1.581 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.989 -2.467 -1.588 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.055 -2.395 -0.107 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.339 -1.015 -4.295 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.546 0.186 -3.324 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.332 -1.345 -3.778 1.00 0.00 H new ATOM 18 N SER A 2 4.612 -0.803 -2.012 1.00 0.00 N ATOM 19 CA SER A 2 5.616 -1.333 -2.944 1.00 0.00 C ATOM 20 C SER A 2 7.017 -0.842 -2.527 1.00 0.00 C ATOM 21 O SER A 2 7.446 0.260 -2.889 1.00 0.00 O ATOM 22 CB SER A 2 5.264 -0.921 -4.392 1.00 0.00 C ATOM 23 OG SER A 2 5.041 0.475 -4.492 1.00 0.00 O ATOM 0 H SER A 2 4.129 0.027 -2.357 1.00 0.00 H new ATOM 0 HA SER A 2 5.619 -2.422 -2.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.074 -1.211 -5.062 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.373 -1.458 -4.718 1.00 0.00 H new ATOM 0 HG SER A 2 5.760 0.955 -4.030 1.00 0.00 H new ATOM 29 N LYS A 3 7.673 -1.645 -1.685 1.00 0.00 N ATOM 30 CA LYS A 3 9.029 -1.367 -1.168 1.00 0.00 C ATOM 31 C LYS A 3 10.088 -2.094 -2.014 1.00 0.00 C ATOM 32 O LYS A 3 9.759 -2.944 -2.854 1.00 0.00 O ATOM 33 CB LYS A 3 9.111 -1.771 0.334 1.00 0.00 C ATOM 34 CG LYS A 3 8.442 -3.117 0.666 1.00 0.00 C ATOM 35 CD LYS A 3 8.373 -3.402 2.187 1.00 0.00 C ATOM 36 CE LYS A 3 7.782 -4.785 2.476 1.00 0.00 C ATOM 37 NZ LYS A 3 7.641 -5.070 3.929 1.00 0.00 N ATOM 0 H LYS A 3 7.279 -2.518 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 3 9.234 -0.299 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.159 -1.817 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.645 -0.989 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.433 -3.126 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.993 -3.920 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.373 -3.336 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.767 -2.638 2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.804 -4.862 2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.417 -5.546 2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.567 -6.097 4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.473 -4.706 4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.784 -4.606 4.292 1.00 0.00 H new ATOM 51 N LYS A 4 11.363 -1.767 -1.772 1.00 0.00 N ATOM 52 CA LYS A 4 12.491 -2.305 -2.555 1.00 0.00 C ATOM 53 C LYS A 4 13.673 -2.555 -1.591 1.00 0.00 C ATOM 54 O LYS A 4 13.987 -1.728 -0.735 1.00 0.00 O ATOM 55 CB LYS A 4 12.856 -1.319 -3.725 1.00 0.00 C ATOM 56 CG LYS A 4 13.435 -1.954 -5.022 1.00 0.00 C ATOM 57 CD LYS A 4 14.797 -2.648 -4.834 1.00 0.00 C ATOM 58 CE LYS A 4 15.318 -3.318 -6.116 1.00 0.00 C ATOM 59 NZ LYS A 4 15.390 -2.378 -7.257 1.00 0.00 N ATOM 0 H LYS A 4 11.645 -1.125 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 4 12.226 -3.253 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.959 -0.761 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.580 -0.597 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.720 -2.681 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.538 -1.176 -5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.527 -1.914 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.709 -3.399 -4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.308 -3.733 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.667 -4.152 -6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.274 -2.536 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.579 -2.536 -7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.368 -1.400 -6.903 1.00 0.00 H new ATOM 73 N LEU A 5 14.300 -3.717 -1.728 1.00 0.00 N ATOM 74 CA LEU A 5 15.451 -4.133 -0.927 1.00 0.00 C ATOM 75 C LEU A 5 16.557 -4.545 -1.877 1.00 0.00 C ATOM 76 O LEU A 5 16.308 -5.216 -2.883 1.00 0.00 O ATOM 77 CB LEU A 5 15.054 -5.303 0.014 1.00 0.00 C ATOM 78 CG LEU A 5 16.152 -5.859 0.996 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.515 -6.345 2.309 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.979 -7.013 0.378 1.00 0.00 C ATOM 0 H LEU A 5 14.017 -4.415 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 5 15.797 -3.313 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.203 -4.978 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.710 -6.130 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 5 16.829 -5.028 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.292 -6.725 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.000 -5.515 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.801 -7.140 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.720 -7.356 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.315 -7.838 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.484 -6.658 -0.520 1.00 0.00 H new ATOM 92 N ILE A 6 17.776 -4.125 -1.577 1.00 0.00 N ATOM 93 CA ILE A 6 18.961 -4.549 -2.311 1.00 0.00 C ATOM 94 C ILE A 6 19.993 -5.061 -1.309 1.00 0.00 C ATOM 95 O ILE A 6 19.881 -4.815 -0.096 1.00 0.00 O ATOM 96 CB ILE A 6 19.560 -3.398 -3.203 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.237 -2.290 -2.346 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.473 -2.799 -4.132 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.886 -1.182 -3.146 1.00 0.00 C ATOM 0 H ILE A 6 17.974 -3.477 -0.814 1.00 0.00 H new ATOM 0 HA ILE A 6 18.679 -5.346 -3.000 1.00 0.00 H new ATOM 0 HB ILE A 6 20.337 -3.840 -3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.489 -1.852 -1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 6 20.993 -2.752 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.910 -2.006 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.081 -3.580 -4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.663 -2.390 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.332 -0.456 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.661 -1.602 -3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.134 -0.689 -3.761 1.00 0.00 H new ATOM 111 N ALA A 7 20.988 -5.778 -1.812 1.00 0.00 N ATOM 112 CA ALA A 7 22.084 -6.295 -0.994 1.00 0.00 C ATOM 113 C ALA A 7 23.340 -6.447 -1.846 1.00 0.00 C ATOM 114 O ALA A 7 23.281 -6.409 -3.079 1.00 0.00 O ATOM 115 CB ALA A 7 21.690 -7.627 -0.327 1.00 0.00 C ATOM 0 H ALA A 7 21.061 -6.020 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 7 22.296 -5.584 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.521 -7.992 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.820 -7.471 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.450 -8.362 -1.096 1.00 0.00 H new ATOM 121 N LEU A 8 24.473 -6.623 -1.176 1.00 0.00 N ATOM 122 CA LEU A 8 25.772 -6.774 -1.821 1.00 0.00 C ATOM 123 C LEU A 8 26.510 -7.899 -1.093 1.00 0.00 C ATOM 124 O LEU A 8 26.883 -7.754 0.074 1.00 0.00 O ATOM 125 CB LEU A 8 26.564 -5.425 -1.790 1.00 0.00 C ATOM 126 CG LEU A 8 27.641 -5.205 -2.911 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.215 -3.775 -2.857 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.782 -6.242 -2.842 1.00 0.00 C ATOM 0 H LEU A 8 24.516 -6.665 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 8 25.662 -7.033 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.844 -4.608 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.061 -5.346 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 8 27.130 -5.344 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.958 -3.651 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.410 -3.054 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.683 -3.607 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.500 -6.046 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.282 -6.169 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.371 -7.244 -2.963 1.00 0.00 H new ATOM 140 N CYS A 9 26.667 -9.027 -1.782 1.00 0.00 N ATOM 141 CA CYS A 9 27.388 -10.188 -1.279 1.00 0.00 C ATOM 142 C CYS A 9 28.781 -10.229 -1.925 1.00 0.00 C ATOM 143 O CYS A 9 28.891 -10.418 -3.133 1.00 0.00 O ATOM 144 CB CYS A 9 26.571 -11.460 -1.585 1.00 0.00 C ATOM 145 SG CYS A 9 24.901 -11.427 -0.889 1.00 0.00 S ATOM 0 H CYS A 9 26.290 -9.160 -2.720 1.00 0.00 H new ATOM 0 HA CYS A 9 27.520 -10.127 -0.199 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.504 -11.588 -2.665 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.103 -12.327 -1.193 1.00 0.00 H new ATOM 0 HG CYS A 9 24.399 -10.235 -1.022 1.00 0.00 H new ATOM 151 N ALA A 10 29.844 -10.033 -1.119 1.00 0.00 N ATOM 152 CA ALA A 10 31.238 -9.981 -1.628 1.00 0.00 C ATOM 153 C ALA A 10 32.152 -10.928 -0.832 1.00 0.00 C ATOM 154 O ALA A 10 32.227 -10.842 0.395 1.00 0.00 O ATOM 155 CB ALA A 10 31.785 -8.542 -1.609 1.00 0.00 C ATOM 0 H ALA A 10 29.768 -9.907 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 10 31.225 -10.318 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.807 -8.536 -1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.162 -7.907 -2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.774 -8.162 -0.587 1.00 0.00 H new ATOM 161 N CYS A 11 32.826 -11.848 -1.542 1.00 0.00 N ATOM 162 CA CYS A 11 33.765 -12.819 -0.945 1.00 0.00 C ATOM 163 C CYS A 11 34.948 -13.076 -1.890 1.00 0.00 C ATOM 164 O CYS A 11 34.781 -13.052 -3.112 1.00 0.00 O ATOM 165 CB CYS A 11 33.058 -14.161 -0.582 1.00 0.00 C ATOM 166 SG CYS A 11 32.534 -14.249 1.147 1.00 0.00 S ATOM 0 H CYS A 11 32.736 -11.941 -2.554 1.00 0.00 H new ATOM 0 HA CYS A 11 34.140 -12.383 -0.019 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.188 -14.291 -1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 11 33.735 -14.989 -0.792 1.00 0.00 H new ATOM 0 HG CYS A 11 32.137 -13.075 1.540 1.00 0.00 H new ATOM 172 N PRO A 12 36.164 -13.377 -1.327 1.00 0.00 N ATOM 173 CA PRO A 12 37.356 -13.715 -2.133 1.00 0.00 C ATOM 174 C PRO A 12 37.338 -15.200 -2.574 1.00 0.00 C ATOM 175 O PRO A 12 38.164 -15.630 -3.383 1.00 0.00 O ATOM 176 CB PRO A 12 38.512 -13.396 -1.155 1.00 0.00 C ATOM 177 CG PRO A 12 37.959 -13.719 0.205 1.00 0.00 C ATOM 178 CD PRO A 12 36.464 -13.441 0.141 1.00 0.00 C ATOM 0 HA PRO A 12 37.431 -13.165 -3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.395 -13.995 -1.376 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.811 -12.350 -1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.149 -14.761 0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.435 -13.108 0.972 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.891 -14.229 0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.211 -12.506 0.640 1.00 0.00 H new ATOM 186 N MET A 13 36.350 -15.952 -2.037 1.00 0.00 N ATOM 187 CA MET A 13 36.108 -17.372 -2.356 1.00 0.00 C ATOM 188 C MET A 13 35.563 -17.530 -3.782 1.00 0.00 C ATOM 189 O MET A 13 35.646 -18.609 -4.367 1.00 0.00 O ATOM 190 CB MET A 13 35.102 -17.977 -1.336 1.00 0.00 C ATOM 191 CG MET A 13 35.525 -17.827 0.127 1.00 0.00 C ATOM 192 SD MET A 13 34.380 -18.622 1.273 1.00 0.00 S ATOM 193 CE MET A 13 35.087 -18.175 2.861 1.00 0.00 C ATOM 0 H MET A 13 35.688 -15.579 -1.357 1.00 0.00 H new ATOM 0 HA MET A 13 37.057 -17.905 -2.291 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.132 -17.499 -1.473 1.00 0.00 H new ATOM 0 HB3 MET A 13 34.970 -19.036 -1.558 1.00 0.00 H new ATOM 0 HG2 MET A 13 36.519 -18.255 0.259 1.00 0.00 H new ATOM 0 HG3 MET A 13 35.599 -16.767 0.372 1.00 0.00 H new ATOM 0 HE1 MET A 13 34.481 -18.599 3.661 1.00 0.00 H new ATOM 0 HE2 MET A 13 36.103 -18.564 2.930 1.00 0.00 H new ATOM 0 HE3 MET A 13 35.107 -17.089 2.958 1.00 0.00 H new ATOM 203 N GLY A 14 34.998 -16.434 -4.317 1.00 0.00 N ATOM 204 CA GLY A 14 34.420 -16.409 -5.657 1.00 0.00 C ATOM 205 C GLY A 14 32.925 -16.171 -5.624 1.00 0.00 C ATOM 206 O GLY A 14 32.325 -16.018 -4.542 1.00 0.00 O ATOM 0 H GLY A 14 34.933 -15.543 -3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 14 34.899 -15.626 -6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.626 -17.355 -6.159 1.00 0.00 H new ATOM 210 N LEU A 15 32.316 -16.164 -6.818 1.00 0.00 N ATOM 211 CA LEU A 15 30.896 -15.852 -6.993 1.00 0.00 C ATOM 212 C LEU A 15 29.971 -16.976 -6.491 1.00 0.00 C ATOM 213 O LEU A 15 28.830 -16.699 -6.163 1.00 0.00 O ATOM 214 CB LEU A 15 30.588 -15.477 -8.472 1.00 0.00 C ATOM 215 CG LEU A 15 31.070 -14.056 -8.918 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.703 -13.760 -10.392 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.508 -12.967 -7.977 1.00 0.00 C ATOM 0 H LEU A 15 32.799 -16.376 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 15 30.684 -14.984 -6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.051 -16.220 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.511 -15.543 -8.629 1.00 0.00 H new ATOM 0 HG LEU A 15 32.158 -14.042 -8.848 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.055 -12.764 -10.662 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.174 -14.499 -11.040 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.621 -13.808 -10.514 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.856 -11.988 -8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.419 -12.992 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.853 -13.152 -6.960 1.00 0.00 H new ATOM 229 N ALA A 16 30.465 -18.218 -6.402 1.00 0.00 N ATOM 230 CA ALA A 16 29.667 -19.359 -5.891 1.00 0.00 C ATOM 231 C ALA A 16 29.190 -19.112 -4.440 1.00 0.00 C ATOM 232 O ALA A 16 28.017 -19.340 -4.104 1.00 0.00 O ATOM 233 CB ALA A 16 30.478 -20.656 -5.989 1.00 0.00 C ATOM 0 H ALA A 16 31.415 -18.467 -6.676 1.00 0.00 H new ATOM 0 HA ALA A 16 28.777 -19.456 -6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 16 29.882 -21.487 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.742 -20.842 -7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.387 -20.562 -5.396 1.00 0.00 H new ATOM 239 N HIS A 17 30.114 -18.593 -3.605 1.00 0.00 N ATOM 240 CA HIS A 17 29.845 -18.293 -2.184 1.00 0.00 C ATOM 241 C HIS A 17 28.890 -17.094 -2.061 1.00 0.00 C ATOM 242 O HIS A 17 27.980 -17.079 -1.213 1.00 0.00 O ATOM 243 CB HIS A 17 31.170 -17.992 -1.429 1.00 0.00 C ATOM 244 CG HIS A 17 31.060 -18.055 0.073 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.704 -17.180 0.912 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.401 -18.924 0.881 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.449 -17.502 2.162 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.661 -18.556 2.171 1.00 0.00 N ATOM 0 H HIS A 17 31.066 -18.371 -3.897 1.00 0.00 H new ATOM 0 HA HIS A 17 29.375 -19.168 -1.734 1.00 0.00 H new ATOM 0 HB2 HIS A 17 31.929 -18.703 -1.755 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.519 -16.999 -1.714 1.00 0.00 H new ATOM 0 HD1 HIS A 17 32.290 -16.401 0.613 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.785 -19.753 0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 17 31.824 -16.987 3.035 1.00 0.00 H new ATOM 257 N THR A 18 29.103 -16.094 -2.933 1.00 0.00 N ATOM 258 CA THR A 18 28.282 -14.881 -2.959 1.00 0.00 C ATOM 259 C THR A 18 26.850 -15.209 -3.442 1.00 0.00 C ATOM 260 O THR A 18 25.912 -14.528 -3.060 1.00 0.00 O ATOM 261 CB THR A 18 28.918 -13.768 -3.857 1.00 0.00 C ATOM 262 OG1 THR A 18 28.930 -14.171 -5.223 1.00 0.00 O ATOM 263 CG2 THR A 18 30.355 -13.419 -3.439 1.00 0.00 C ATOM 0 H THR A 18 29.845 -16.107 -3.633 1.00 0.00 H new ATOM 0 HA THR A 18 28.234 -14.495 -1.941 1.00 0.00 H new ATOM 0 HB THR A 18 28.297 -12.882 -3.726 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.742 -15.131 -5.283 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.746 -12.642 -4.096 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.357 -13.060 -2.410 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.982 -14.308 -3.514 1.00 0.00 H new ATOM 271 N PHE A 19 26.709 -16.270 -4.276 1.00 0.00 N ATOM 272 CA PHE A 19 25.397 -16.750 -4.781 1.00 0.00 C ATOM 273 C PHE A 19 24.630 -17.520 -3.692 1.00 0.00 C ATOM 274 O PHE A 19 23.401 -17.560 -3.724 1.00 0.00 O ATOM 275 CB PHE A 19 25.546 -17.639 -6.054 1.00 0.00 C ATOM 276 CG PHE A 19 26.079 -16.937 -7.312 1.00 0.00 C ATOM 277 CD1 PHE A 19 26.032 -15.546 -7.455 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.639 -17.683 -8.353 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.524 -14.933 -8.591 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.131 -17.064 -9.489 1.00 0.00 C ATOM 281 CZ PHE A 19 27.071 -15.689 -9.607 1.00 0.00 C ATOM 0 H PHE A 19 27.500 -16.816 -4.617 1.00 0.00 H new ATOM 0 HA PHE A 19 24.827 -15.863 -5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.212 -18.469 -5.817 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.572 -18.069 -6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 19 25.605 -14.943 -6.667 1.00 0.00 H new ATOM 0 HD2 PHE A 19 26.689 -18.759 -8.270 1.00 0.00 H new ATOM 0 HE1 PHE A 19 26.480 -13.858 -8.684 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.562 -17.656 -10.283 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.452 -15.206 -10.495 1.00 0.00 H new ATOM 291 N MET A 20 25.365 -18.151 -2.751 1.00 0.00 N ATOM 292 CA MET A 20 24.762 -18.779 -1.547 1.00 0.00 C ATOM 293 C MET A 20 24.043 -17.702 -0.704 1.00 0.00 C ATOM 294 O MET A 20 22.894 -17.880 -0.277 1.00 0.00 O ATOM 295 CB MET A 20 25.854 -19.479 -0.684 1.00 0.00 C ATOM 296 CG MET A 20 26.572 -20.664 -1.353 1.00 0.00 C ATOM 297 SD MET A 20 28.025 -21.220 -0.421 1.00 0.00 S ATOM 298 CE MET A 20 27.330 -21.616 1.186 1.00 0.00 C ATOM 0 H MET A 20 26.380 -18.241 -2.799 1.00 0.00 H new ATOM 0 HA MET A 20 24.043 -19.531 -1.871 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.601 -18.736 -0.403 1.00 0.00 H new ATOM 0 HB3 MET A 20 25.392 -19.831 0.238 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.873 -21.494 -1.458 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.879 -20.377 -2.359 1.00 0.00 H new ATOM 0 HE1 MET A 20 27.968 -21.207 1.969 1.00 0.00 H new ATOM 0 HE2 MET A 20 26.333 -21.184 1.268 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.267 -22.698 1.298 1.00 0.00 H new ATOM 308 N ALA A 21 24.746 -16.573 -0.510 1.00 0.00 N ATOM 309 CA ALA A 21 24.228 -15.410 0.236 1.00 0.00 C ATOM 310 C ALA A 21 23.141 -14.667 -0.561 1.00 0.00 C ATOM 311 O ALA A 21 22.152 -14.204 0.012 1.00 0.00 O ATOM 312 CB ALA A 21 25.381 -14.466 0.579 1.00 0.00 C ATOM 0 H ALA A 21 25.692 -16.440 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 21 23.768 -15.769 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.997 -13.608 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.112 -14.993 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.857 -14.124 -0.340 1.00 0.00 H new ATOM 318 N ALA A 22 23.344 -14.578 -1.887 1.00 0.00 N ATOM 319 CA ALA A 22 22.426 -13.886 -2.809 1.00 0.00 C ATOM 320 C ALA A 22 21.075 -14.595 -2.864 1.00 0.00 C ATOM 321 O ALA A 22 20.042 -13.949 -2.843 1.00 0.00 O ATOM 322 CB ALA A 22 23.030 -13.787 -4.217 1.00 0.00 C ATOM 0 H ALA A 22 24.155 -14.987 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 22 22.273 -12.876 -2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.332 -13.272 -4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.966 -13.230 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.222 -14.789 -4.602 1.00 0.00 H new ATOM 328 N GLN A 23 21.107 -15.934 -2.913 1.00 0.00 N ATOM 329 CA GLN A 23 19.892 -16.759 -2.932 1.00 0.00 C ATOM 330 C GLN A 23 19.143 -16.621 -1.599 1.00 0.00 C ATOM 331 O GLN A 23 17.921 -16.463 -1.580 1.00 0.00 O ATOM 332 CB GLN A 23 20.238 -18.248 -3.194 1.00 0.00 C ATOM 333 CG GLN A 23 19.013 -19.187 -3.280 1.00 0.00 C ATOM 334 CD GLN A 23 18.072 -18.857 -4.443 1.00 0.00 C ATOM 335 OE1 GLN A 23 18.228 -19.375 -5.550 1.00 0.00 O ATOM 336 NE2 GLN A 23 17.091 -17.996 -4.206 1.00 0.00 N ATOM 0 H GLN A 23 21.972 -16.473 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 23 19.252 -16.408 -3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.800 -18.319 -4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.895 -18.600 -2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.360 -20.215 -3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.456 -19.131 -2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.987 -17.584 -3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.440 -17.746 -4.951 1.00 0.00 H new ATOM 345 N ALA A 24 19.913 -16.658 -0.497 1.00 0.00 N ATOM 346 CA ALA A 24 19.375 -16.604 0.865 1.00 0.00 C ATOM 347 C ALA A 24 18.585 -15.297 1.123 1.00 0.00 C ATOM 348 O ALA A 24 17.391 -15.335 1.472 1.00 0.00 O ATOM 349 CB ALA A 24 20.524 -16.782 1.872 1.00 0.00 C ATOM 0 H ALA A 24 20.930 -16.727 -0.531 1.00 0.00 H new ATOM 0 HA ALA A 24 18.663 -17.419 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 24 20.128 -16.742 2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 24 21.006 -17.746 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 24 21.254 -15.984 1.736 1.00 0.00 H new ATOM 355 N LEU A 25 19.261 -14.154 0.913 1.00 0.00 N ATOM 356 CA LEU A 25 18.683 -12.804 1.120 1.00 0.00 C ATOM 357 C LEU A 25 17.543 -12.512 0.134 1.00 0.00 C ATOM 358 O LEU A 25 16.626 -11.742 0.452 1.00 0.00 O ATOM 359 CB LEU A 25 19.778 -11.721 0.974 1.00 0.00 C ATOM 360 CG LEU A 25 20.919 -11.763 2.026 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.982 -10.691 1.721 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.373 -11.608 3.464 1.00 0.00 C ATOM 0 H LEU A 25 20.229 -14.135 0.593 1.00 0.00 H new ATOM 0 HA LEU A 25 18.274 -12.781 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.221 -11.812 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.302 -10.742 1.022 1.00 0.00 H new ATOM 0 HG LEU A 25 21.392 -12.743 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.772 -10.738 2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.407 -10.871 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.520 -9.704 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.200 -11.642 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.856 -10.653 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.678 -12.419 3.679 1.00 0.00 H new ATOM 374 N GLU A 26 17.635 -13.108 -1.069 1.00 0.00 N ATOM 375 CA GLU A 26 16.597 -12.999 -2.105 1.00 0.00 C ATOM 376 C GLU A 26 15.275 -13.555 -1.582 1.00 0.00 C ATOM 377 O GLU A 26 14.284 -12.830 -1.529 1.00 0.00 O ATOM 378 CB GLU A 26 17.045 -13.744 -3.386 1.00 0.00 C ATOM 379 CG GLU A 26 16.043 -13.757 -4.557 1.00 0.00 C ATOM 380 CD GLU A 26 16.635 -14.392 -5.824 1.00 0.00 C ATOM 381 OE1 GLU A 26 17.317 -13.678 -6.597 1.00 0.00 O ATOM 382 OE2 GLU A 26 16.462 -15.613 -6.038 1.00 0.00 O ATOM 0 H GLU A 26 18.433 -13.679 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 26 16.449 -11.949 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.974 -13.293 -3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.272 -14.776 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.149 -14.307 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.731 -12.736 -4.777 1.00 0.00 H new ATOM 389 N GLU A 27 15.321 -14.826 -1.119 1.00 0.00 N ATOM 390 CA GLU A 27 14.153 -15.545 -0.570 1.00 0.00 C ATOM 391 C GLU A 27 13.486 -14.720 0.539 1.00 0.00 C ATOM 392 O GLU A 27 12.302 -14.431 0.472 1.00 0.00 O ATOM 393 CB GLU A 27 14.587 -16.930 -0.008 1.00 0.00 C ATOM 394 CG GLU A 27 15.143 -17.904 -1.057 1.00 0.00 C ATOM 395 CD GLU A 27 14.105 -18.310 -2.117 1.00 0.00 C ATOM 396 OE1 GLU A 27 13.123 -19.000 -1.763 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.253 -17.938 -3.302 1.00 0.00 O ATOM 0 H GLU A 27 16.176 -15.383 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 27 13.435 -15.697 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.344 -16.774 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.729 -17.394 0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.998 -17.445 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.509 -18.799 -0.554 1.00 0.00 H new ATOM 404 N ALA A 28 14.318 -14.283 1.490 1.00 0.00 N ATOM 405 CA ALA A 28 13.899 -13.518 2.676 1.00 0.00 C ATOM 406 C ALA A 28 13.122 -12.241 2.296 1.00 0.00 C ATOM 407 O ALA A 28 12.031 -11.987 2.815 1.00 0.00 O ATOM 408 CB ALA A 28 15.139 -13.167 3.497 1.00 0.00 C ATOM 0 H ALA A 28 15.323 -14.453 1.459 1.00 0.00 H new ATOM 0 HA ALA A 28 13.220 -14.134 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.843 -12.600 4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.642 -14.083 3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.819 -12.567 2.891 1.00 0.00 H new ATOM 414 N ALA A 29 13.704 -11.467 1.373 1.00 0.00 N ATOM 415 CA ALA A 29 13.099 -10.232 0.848 1.00 0.00 C ATOM 416 C ALA A 29 11.846 -10.482 -0.030 1.00 0.00 C ATOM 417 O ALA A 29 11.001 -9.591 -0.154 1.00 0.00 O ATOM 418 CB ALA A 29 14.147 -9.440 0.067 1.00 0.00 C ATOM 0 H ALA A 29 14.614 -11.679 0.965 1.00 0.00 H new ATOM 0 HA ALA A 29 12.755 -9.657 1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.698 -8.526 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.976 -9.185 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.516 -10.044 -0.762 1.00 0.00 H new ATOM 424 N VAL A 30 11.713 -11.687 -0.621 1.00 0.00 N ATOM 425 CA VAL A 30 10.551 -12.020 -1.486 1.00 0.00 C ATOM 426 C VAL A 30 9.333 -12.280 -0.592 1.00 0.00 C ATOM 427 O VAL A 30 8.225 -11.790 -0.852 1.00 0.00 O ATOM 428 CB VAL A 30 10.843 -13.276 -2.406 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.561 -13.813 -3.100 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.917 -12.953 -3.472 1.00 0.00 C ATOM 0 H VAL A 30 12.388 -12.445 -0.519 1.00 0.00 H new ATOM 0 HA VAL A 30 10.356 -11.179 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 30 11.219 -14.057 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.815 -14.674 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.836 -14.112 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.131 -13.031 -3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.095 -13.835 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.569 -12.135 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.844 -12.662 -2.978 1.00 0.00 H new ATOM 440 N GLU A 31 9.588 -13.022 0.489 1.00 0.00 N ATOM 441 CA GLU A 31 8.580 -13.385 1.492 1.00 0.00 C ATOM 442 C GLU A 31 8.163 -12.140 2.300 1.00 0.00 C ATOM 443 O GLU A 31 7.008 -12.018 2.715 1.00 0.00 O ATOM 444 CB GLU A 31 9.159 -14.479 2.423 1.00 0.00 C ATOM 445 CG GLU A 31 9.771 -15.672 1.668 1.00 0.00 C ATOM 446 CD GLU A 31 8.761 -16.453 0.812 1.00 0.00 C ATOM 447 OE1 GLU A 31 7.894 -17.147 1.385 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.822 -16.372 -0.431 1.00 0.00 O ATOM 0 H GLU A 31 10.515 -13.394 0.696 1.00 0.00 H new ATOM 0 HA GLU A 31 7.692 -13.777 0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.922 -14.034 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.367 -14.842 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.573 -15.309 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.223 -16.352 2.390 1.00 0.00 H new ATOM 455 N ALA A 32 9.126 -11.224 2.507 1.00 0.00 N ATOM 456 CA ALA A 32 8.894 -9.938 3.187 1.00 0.00 C ATOM 457 C ALA A 32 8.202 -8.923 2.263 1.00 0.00 C ATOM 458 O ALA A 32 7.636 -7.935 2.737 1.00 0.00 O ATOM 459 CB ALA A 32 10.211 -9.396 3.737 1.00 0.00 C ATOM 0 H ALA A 32 10.091 -11.356 2.206 1.00 0.00 H new ATOM 0 HA ALA A 32 8.216 -10.107 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.032 -8.445 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.629 -10.108 4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.914 -9.247 2.917 1.00 0.00 H new ATOM 465 N GLY A 33 8.272 -9.163 0.945 1.00 0.00 N ATOM 466 CA GLY A 33 7.432 -8.463 -0.033 1.00 0.00 C ATOM 467 C GLY A 33 8.029 -7.176 -0.578 1.00 0.00 C ATOM 468 O GLY A 33 7.316 -6.180 -0.751 1.00 0.00 O ATOM 0 H GLY A 33 8.909 -9.844 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.231 -9.136 -0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.472 -8.235 0.430 1.00 0.00 H new ATOM 472 N TYR A 34 9.346 -7.179 -0.826 1.00 0.00 N ATOM 473 CA TYR A 34 10.001 -6.123 -1.650 1.00 0.00 C ATOM 474 C TYR A 34 10.328 -6.688 -3.040 1.00 0.00 C ATOM 475 O TYR A 34 10.256 -7.902 -3.272 1.00 0.00 O ATOM 476 CB TYR A 34 11.355 -5.588 -1.068 1.00 0.00 C ATOM 477 CG TYR A 34 11.540 -5.569 0.442 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.678 -6.758 1.139 1.00 0.00 C ATOM 479 CD2 TYR A 34 11.683 -4.377 1.155 1.00 0.00 C ATOM 480 CE1 TYR A 34 11.917 -6.769 2.472 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.941 -4.393 2.500 1.00 0.00 C ATOM 482 CZ TYR A 34 12.057 -5.601 3.144 1.00 0.00 C ATOM 483 OH TYR A 34 12.344 -5.642 4.465 1.00 0.00 O ATOM 0 H TYR A 34 9.986 -7.892 -0.475 1.00 0.00 H new ATOM 0 HA TYR A 34 9.287 -5.300 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 34 12.159 -6.189 -1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.493 -4.570 -1.431 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.593 -7.695 0.609 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.589 -3.432 0.640 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.996 -7.708 2.999 1.00 0.00 H new ATOM 0 HE2 TYR A 34 12.052 -3.468 3.047 1.00 0.00 H new ATOM 0 HH TYR A 34 11.950 -4.862 4.910 1.00 0.00 H new ATOM 493 N GLU A 35 10.734 -5.787 -3.948 1.00 0.00 N ATOM 494 CA GLU A 35 11.554 -6.162 -5.108 1.00 0.00 C ATOM 495 C GLU A 35 12.996 -6.305 -4.598 1.00 0.00 C ATOM 496 O GLU A 35 13.485 -5.405 -3.922 1.00 0.00 O ATOM 497 CB GLU A 35 11.494 -5.086 -6.220 1.00 0.00 C ATOM 498 CG GLU A 35 12.332 -5.428 -7.475 1.00 0.00 C ATOM 499 CD GLU A 35 12.215 -4.385 -8.599 1.00 0.00 C ATOM 500 OE1 GLU A 35 12.771 -3.271 -8.448 1.00 0.00 O ATOM 501 OE2 GLU A 35 11.576 -4.672 -9.640 1.00 0.00 O ATOM 0 H GLU A 35 10.507 -4.794 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 35 11.184 -7.090 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.455 -4.944 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.841 -4.137 -5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.379 -5.523 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.017 -6.399 -7.858 1.00 0.00 H new ATOM 508 N VAL A 36 13.665 -7.416 -4.898 1.00 0.00 N ATOM 509 CA VAL A 36 15.016 -7.685 -4.376 1.00 0.00 C ATOM 510 C VAL A 36 16.034 -7.692 -5.529 1.00 0.00 C ATOM 511 O VAL A 36 15.749 -8.212 -6.617 1.00 0.00 O ATOM 512 CB VAL A 36 15.062 -9.024 -3.554 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.712 -10.265 -4.403 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.424 -9.194 -2.834 1.00 0.00 C ATOM 0 H VAL A 36 13.297 -8.151 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 36 15.284 -6.885 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 36 14.284 -8.947 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.761 -11.158 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.705 -10.158 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.423 -10.356 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.425 -10.129 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.226 -9.212 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.580 -8.361 -2.149 1.00 0.00 H new ATOM 524 N LYS A 37 17.199 -7.069 -5.299 1.00 0.00 N ATOM 525 CA LYS A 37 18.296 -7.031 -6.277 1.00 0.00 C ATOM 526 C LYS A 37 19.627 -7.096 -5.527 1.00 0.00 C ATOM 527 O LYS A 37 19.961 -6.183 -4.780 1.00 0.00 O ATOM 528 CB LYS A 37 18.235 -5.740 -7.131 1.00 0.00 C ATOM 529 CG LYS A 37 19.289 -5.695 -8.263 1.00 0.00 C ATOM 530 CD LYS A 37 18.966 -6.627 -9.441 1.00 0.00 C ATOM 531 CE LYS A 37 20.101 -6.656 -10.473 1.00 0.00 C ATOM 532 NZ LYS A 37 19.708 -7.362 -11.723 1.00 0.00 N ATOM 0 H LYS A 37 17.407 -6.577 -4.430 1.00 0.00 H new ATOM 0 HA LYS A 37 18.201 -7.883 -6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.241 -5.650 -7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.376 -4.877 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.371 -4.672 -8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.262 -5.965 -7.853 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.788 -7.636 -9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.045 -6.298 -9.923 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.398 -5.635 -10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.972 -7.147 -10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.119 -6.872 -12.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.058 -8.341 -11.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.671 -7.367 -11.807 1.00 0.00 H new ATOM 546 N ILE A 38 20.371 -8.190 -5.699 1.00 0.00 N ATOM 547 CA ILE A 38 21.620 -8.421 -4.960 1.00 0.00 C ATOM 548 C ILE A 38 22.822 -8.518 -5.908 1.00 0.00 C ATOM 549 O ILE A 38 22.948 -9.488 -6.661 1.00 0.00 O ATOM 550 CB ILE A 38 21.477 -9.733 -4.125 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.233 -9.613 -3.184 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.770 -10.050 -3.317 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.774 -10.906 -2.575 1.00 0.00 C ATOM 0 H ILE A 38 20.130 -8.938 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 38 21.799 -7.576 -4.296 1.00 0.00 H new ATOM 0 HB ILE A 38 21.329 -10.568 -4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.469 -8.914 -2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.408 -9.182 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.628 -10.970 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.608 -10.172 -4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.980 -9.230 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.908 -10.722 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.501 -11.604 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.579 -11.332 -1.976 1.00 0.00 H new ATOM 565 N GLU A 39 23.694 -7.506 -5.846 1.00 0.00 N ATOM 566 CA GLU A 39 24.988 -7.512 -6.538 1.00 0.00 C ATOM 567 C GLU A 39 25.947 -8.451 -5.801 1.00 0.00 C ATOM 568 O GLU A 39 25.933 -8.522 -4.570 1.00 0.00 O ATOM 569 CB GLU A 39 25.553 -6.075 -6.584 1.00 0.00 C ATOM 570 CG GLU A 39 26.942 -5.917 -7.215 1.00 0.00 C ATOM 571 CD GLU A 39 27.438 -4.465 -7.176 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.787 -3.602 -7.794 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.461 -4.177 -6.533 1.00 0.00 O ATOM 0 H GLU A 39 23.521 -6.655 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 39 24.866 -7.868 -7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.852 -5.448 -7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.593 -5.689 -5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.652 -6.555 -6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.910 -6.260 -8.249 1.00 0.00 H new ATOM 580 N THR A 40 26.761 -9.171 -6.568 1.00 0.00 N ATOM 581 CA THR A 40 27.695 -10.167 -6.049 1.00 0.00 C ATOM 582 C THR A 40 29.097 -9.881 -6.602 1.00 0.00 C ATOM 583 O THR A 40 29.295 -9.899 -7.813 1.00 0.00 O ATOM 584 CB THR A 40 27.220 -11.609 -6.435 1.00 0.00 C ATOM 585 OG1 THR A 40 26.833 -11.657 -7.816 1.00 0.00 O ATOM 586 CG2 THR A 40 26.046 -12.081 -5.564 1.00 0.00 C ATOM 0 H THR A 40 26.791 -9.078 -7.583 1.00 0.00 H new ATOM 0 HA THR A 40 27.727 -10.108 -4.961 1.00 0.00 H new ATOM 0 HB THR A 40 28.063 -12.278 -6.263 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.950 -12.075 -7.894 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.749 -13.085 -5.866 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.351 -12.092 -4.518 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.204 -11.401 -5.689 1.00 0.00 H new ATOM 594 N GLN A 41 30.056 -9.579 -5.714 1.00 0.00 N ATOM 595 CA GLN A 41 31.454 -9.315 -6.101 1.00 0.00 C ATOM 596 C GLN A 41 32.342 -10.478 -5.612 1.00 0.00 C ATOM 597 O GLN A 41 32.283 -10.857 -4.440 1.00 0.00 O ATOM 598 CB GLN A 41 31.941 -7.960 -5.516 1.00 0.00 C ATOM 599 CG GLN A 41 31.007 -6.755 -5.801 1.00 0.00 C ATOM 600 CD GLN A 41 31.666 -5.382 -5.613 1.00 0.00 C ATOM 601 OE1 GLN A 41 32.909 -5.252 -6.036 1.00 0.00 O flip ATOM 602 NE2 GLN A 41 31.050 -4.425 -5.142 1.00 0.00 N flip ATOM 0 H GLN A 41 29.887 -9.511 -4.710 1.00 0.00 H new ATOM 0 HA GLN A 41 31.521 -9.246 -7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.055 -8.066 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.929 -7.740 -5.921 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.639 -6.831 -6.824 1.00 0.00 H new ATOM 0 HG3 GLN A 41 30.139 -6.821 -5.145 1.00 0.00 H new ATOM 0 HE21 GLN A 41 30.090 -4.545 -4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.500 -3.512 -5.074 1.00 0.00 H new ATOM 611 N GLY A 42 33.151 -11.038 -6.516 1.00 0.00 N ATOM 612 CA GLY A 42 34.014 -12.178 -6.203 1.00 0.00 C ATOM 613 C GLY A 42 35.249 -12.219 -7.085 1.00 0.00 C ATOM 614 O GLY A 42 35.452 -11.325 -7.917 1.00 0.00 O ATOM 0 H GLY A 42 33.225 -10.715 -7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.317 -12.126 -5.157 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.451 -13.103 -6.326 1.00 0.00 H new ATOM 618 N ALA A 43 36.058 -13.280 -6.913 1.00 0.00 N ATOM 619 CA ALA A 43 37.311 -13.489 -7.672 1.00 0.00 C ATOM 620 C ALA A 43 37.040 -13.667 -9.187 1.00 0.00 C ATOM 621 O ALA A 43 37.894 -13.351 -10.021 1.00 0.00 O ATOM 622 CB ALA A 43 38.067 -14.700 -7.093 1.00 0.00 C ATOM 0 H ALA A 43 35.863 -14.022 -6.241 1.00 0.00 H new ATOM 0 HA ALA A 43 37.933 -12.600 -7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.990 -14.854 -7.652 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.304 -14.514 -6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.443 -15.590 -7.171 1.00 0.00 H new ATOM 628 N ASP A 44 35.837 -14.176 -9.511 1.00 0.00 N ATOM 629 CA ASP A 44 35.366 -14.366 -10.903 1.00 0.00 C ATOM 630 C ASP A 44 35.026 -13.006 -11.557 1.00 0.00 C ATOM 631 O ASP A 44 35.246 -12.808 -12.756 1.00 0.00 O ATOM 632 CB ASP A 44 34.102 -15.274 -10.925 1.00 0.00 C ATOM 633 CG ASP A 44 34.296 -16.629 -10.220 1.00 0.00 C ATOM 634 OD1 ASP A 44 34.395 -16.643 -8.979 1.00 0.00 O ATOM 635 OD2 ASP A 44 34.362 -17.681 -10.894 1.00 0.00 O ATOM 0 H ASP A 44 35.156 -14.471 -8.811 1.00 0.00 H new ATOM 0 HA ASP A 44 36.168 -14.842 -11.467 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.277 -14.743 -10.450 1.00 0.00 H new ATOM 0 HB3 ASP A 44 33.812 -15.452 -11.961 1.00 0.00 H new ATOM 640 N GLY A 45 34.472 -12.088 -10.742 1.00 0.00 N ATOM 641 CA GLY A 45 34.028 -10.767 -11.206 1.00 0.00 C ATOM 642 C GLY A 45 32.803 -10.274 -10.443 1.00 0.00 C ATOM 643 O GLY A 45 32.530 -10.742 -9.336 1.00 0.00 O ATOM 0 H GLY A 45 34.321 -12.245 -9.745 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.841 -10.050 -11.089 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.797 -10.816 -12.270 1.00 0.00 H new ATOM 647 N ILE A 46 32.064 -9.319 -11.035 1.00 0.00 N ATOM 648 CA ILE A 46 30.826 -8.766 -10.446 1.00 0.00 C ATOM 649 C ILE A 46 29.612 -9.201 -11.292 1.00 0.00 C ATOM 650 O ILE A 46 29.632 -9.091 -12.524 1.00 0.00 O ATOM 651 CB ILE A 46 30.891 -7.191 -10.323 1.00 0.00 C ATOM 652 CG1 ILE A 46 32.139 -6.780 -9.463 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.582 -6.616 -9.709 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.437 -5.293 -9.408 1.00 0.00 C ATOM 0 H ILE A 46 32.306 -8.907 -11.936 1.00 0.00 H new ATOM 0 HA ILE A 46 30.720 -9.161 -9.436 1.00 0.00 H new ATOM 0 HB ILE A 46 30.992 -6.769 -11.323 1.00 0.00 H new ATOM 0 HG12 ILE A 46 31.991 -7.140 -8.445 1.00 0.00 H new ATOM 0 HG13 ILE A 46 33.015 -7.293 -9.859 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.659 -5.531 -9.638 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.736 -6.879 -10.344 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.432 -7.035 -8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.317 -5.121 -8.789 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.624 -4.922 -10.416 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.584 -4.767 -8.980 1.00 0.00 H new ATOM 666 N GLN A 47 28.571 -9.701 -10.613 1.00 0.00 N ATOM 667 CA GLN A 47 27.341 -10.219 -11.236 1.00 0.00 C ATOM 668 C GLN A 47 26.111 -9.553 -10.589 1.00 0.00 C ATOM 669 O GLN A 47 26.164 -9.174 -9.419 1.00 0.00 O ATOM 670 CB GLN A 47 27.282 -11.764 -11.049 1.00 0.00 C ATOM 671 CG GLN A 47 26.105 -12.478 -11.754 1.00 0.00 C ATOM 672 CD GLN A 47 26.111 -12.348 -13.285 1.00 0.00 C ATOM 673 OE1 GLN A 47 25.052 -12.274 -13.911 1.00 0.00 O ATOM 674 NE2 GLN A 47 27.285 -12.393 -13.908 1.00 0.00 N ATOM 0 H GLN A 47 28.558 -9.759 -9.595 1.00 0.00 H new ATOM 0 HA GLN A 47 27.342 -9.989 -12.301 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.215 -12.192 -11.415 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.229 -11.981 -9.982 1.00 0.00 H new ATOM 0 HG2 GLN A 47 26.127 -13.536 -11.491 1.00 0.00 H new ATOM 0 HG3 GLN A 47 25.168 -12.074 -11.371 1.00 0.00 H new ATOM 0 HE21 GLN A 47 28.147 -12.454 -13.367 1.00 0.00 H new ATOM 0 HE22 GLN A 47 27.323 -12.366 -14.927 1.00 0.00 H new ATOM 683 N ASN A 48 25.022 -9.415 -11.377 1.00 0.00 N ATOM 684 CA ASN A 48 23.713 -8.868 -10.923 1.00 0.00 C ATOM 685 C ASN A 48 23.885 -7.410 -10.421 1.00 0.00 C ATOM 686 O ASN A 48 23.280 -7.010 -9.414 1.00 0.00 O ATOM 687 CB ASN A 48 23.069 -9.797 -9.826 1.00 0.00 C ATOM 688 CG ASN A 48 21.537 -9.875 -9.887 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.944 -9.796 -10.962 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.884 -10.038 -8.741 1.00 0.00 N ATOM 0 H ASN A 48 25.022 -9.683 -12.361 1.00 0.00 H new ATOM 0 HA ASN A 48 23.026 -8.848 -11.769 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.477 -10.802 -9.932 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.364 -9.435 -8.841 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.866 -10.101 -8.739 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.401 -10.100 -7.864 1.00 0.00 H new ATOM 697 N ARG A 49 24.705 -6.643 -11.180 1.00 0.00 N ATOM 698 CA ARG A 49 25.128 -5.261 -10.861 1.00 0.00 C ATOM 699 C ARG A 49 23.953 -4.348 -10.437 1.00 0.00 C ATOM 700 O ARG A 49 22.956 -4.211 -11.158 1.00 0.00 O ATOM 701 CB ARG A 49 25.870 -4.653 -12.098 1.00 0.00 C ATOM 702 CG ARG A 49 26.189 -3.140 -12.010 1.00 0.00 C ATOM 703 CD ARG A 49 27.190 -2.783 -10.897 1.00 0.00 C ATOM 704 NE ARG A 49 28.584 -3.000 -11.282 1.00 0.00 N ATOM 705 CZ ARG A 49 29.623 -2.934 -10.444 1.00 0.00 C ATOM 706 NH1 ARG A 49 29.439 -2.844 -9.132 1.00 0.00 N ATOM 707 NH2 ARG A 49 30.850 -2.998 -10.923 1.00 0.00 N ATOM 0 H ARG A 49 25.101 -6.981 -12.057 1.00 0.00 H new ATOM 0 HA ARG A 49 25.798 -5.313 -10.003 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.805 -5.195 -12.241 1.00 0.00 H new ATOM 0 HB3 ARG A 49 25.262 -4.827 -12.986 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.589 -2.806 -12.967 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.262 -2.591 -11.843 1.00 0.00 H new ATOM 0 HD2 ARG A 49 27.056 -1.738 -10.618 1.00 0.00 H new ATOM 0 HD3 ARG A 49 26.967 -3.380 -10.012 1.00 0.00 H new ATOM 0 HE ARG A 49 28.777 -3.217 -12.260 1.00 0.00 H new ATOM 0 HH11 ARG A 49 28.494 -2.824 -8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 49 30.243 -2.795 -8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 49 31.001 -3.097 -11.927 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.648 -2.948 -10.290 1.00 0.00 H new ATOM 721 N LEU A 50 24.112 -3.740 -9.255 1.00 0.00 N ATOM 722 CA LEU A 50 23.193 -2.729 -8.720 1.00 0.00 C ATOM 723 C LEU A 50 23.383 -1.392 -9.434 1.00 0.00 C ATOM 724 O LEU A 50 24.504 -0.881 -9.542 1.00 0.00 O ATOM 725 CB LEU A 50 23.417 -2.569 -7.191 1.00 0.00 C ATOM 726 CG LEU A 50 22.806 -3.707 -6.328 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.343 -3.687 -4.887 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.282 -3.610 -6.348 1.00 0.00 C ATOM 0 H LEU A 50 24.896 -3.940 -8.634 1.00 0.00 H new ATOM 0 HA LEU A 50 22.169 -3.060 -8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.488 -2.518 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.990 -1.618 -6.871 1.00 0.00 H new ATOM 0 HG LEU A 50 23.107 -4.660 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.890 -4.499 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.426 -3.813 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.095 -2.734 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.858 -4.410 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.973 -2.646 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.925 -3.704 -7.373 1.00 0.00 H new ATOM 740 N THR A 51 22.269 -0.850 -9.922 1.00 0.00 N ATOM 741 CA THR A 51 22.223 0.458 -10.574 1.00 0.00 C ATOM 742 C THR A 51 22.019 1.549 -9.515 1.00 0.00 C ATOM 743 O THR A 51 21.570 1.255 -8.400 1.00 0.00 O ATOM 744 CB THR A 51 21.068 0.510 -11.632 1.00 0.00 C ATOM 745 OG1 THR A 51 19.786 0.411 -10.985 1.00 0.00 O ATOM 746 CG2 THR A 51 21.199 -0.621 -12.673 1.00 0.00 C ATOM 0 H THR A 51 21.361 -1.313 -9.875 1.00 0.00 H new ATOM 0 HA THR A 51 23.167 0.627 -11.093 1.00 0.00 H new ATOM 0 HB THR A 51 21.147 1.467 -12.148 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.076 0.447 -11.659 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.381 -0.552 -13.390 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.150 -0.525 -13.197 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.159 -1.586 -12.168 1.00 0.00 H new ATOM 754 N ALA A 52 22.337 2.807 -9.870 1.00 0.00 N ATOM 755 CA ALA A 52 22.112 3.973 -8.989 1.00 0.00 C ATOM 756 C ALA A 52 20.629 4.098 -8.586 1.00 0.00 C ATOM 757 O ALA A 52 20.317 4.579 -7.495 1.00 0.00 O ATOM 758 CB ALA A 52 22.593 5.257 -9.676 1.00 0.00 C ATOM 0 H ALA A 52 22.755 3.046 -10.769 1.00 0.00 H new ATOM 0 HA ALA A 52 22.690 3.822 -8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.422 6.108 -9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.658 5.176 -9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 52 22.042 5.401 -10.605 1.00 0.00 H new ATOM 764 N GLN A 53 19.736 3.628 -9.483 1.00 0.00 N ATOM 765 CA GLN A 53 18.282 3.630 -9.263 1.00 0.00 C ATOM 766 C GLN A 53 17.867 2.557 -8.232 1.00 0.00 C ATOM 767 O GLN A 53 16.956 2.787 -7.433 1.00 0.00 O ATOM 768 CB GLN A 53 17.529 3.418 -10.605 1.00 0.00 C ATOM 769 CG GLN A 53 15.984 3.451 -10.501 1.00 0.00 C ATOM 770 CD GLN A 53 15.378 4.825 -10.149 1.00 0.00 C ATOM 771 OE1 GLN A 53 15.991 5.667 -9.489 1.00 0.00 O ATOM 772 NE2 GLN A 53 14.145 5.053 -10.574 1.00 0.00 N ATOM 0 H GLN A 53 20.010 3.235 -10.384 1.00 0.00 H new ATOM 0 HA GLN A 53 18.007 4.604 -8.858 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.847 4.187 -11.308 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.829 2.458 -11.025 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.565 3.120 -11.451 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.671 2.730 -9.746 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.654 4.344 -11.119 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.686 5.938 -10.357 1.00 0.00 H new ATOM 781 N ASP A 54 18.538 1.384 -8.260 1.00 0.00 N ATOM 782 CA ASP A 54 18.312 0.318 -7.252 1.00 0.00 C ATOM 783 C ASP A 54 18.677 0.823 -5.852 1.00 0.00 C ATOM 784 O ASP A 54 17.968 0.555 -4.888 1.00 0.00 O ATOM 785 CB ASP A 54 19.137 -0.966 -7.566 1.00 0.00 C ATOM 786 CG ASP A 54 18.683 -1.713 -8.831 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.461 -1.818 -9.063 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.543 -2.225 -9.582 1.00 0.00 O ATOM 0 H ASP A 54 19.237 1.150 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 54 17.253 0.061 -7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.186 -0.692 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.072 -1.643 -6.715 1.00 0.00 H new ATOM 793 N ILE A 55 19.789 1.573 -5.786 1.00 0.00 N ATOM 794 CA ILE A 55 20.329 2.138 -4.531 1.00 0.00 C ATOM 795 C ILE A 55 19.461 3.326 -4.041 1.00 0.00 C ATOM 796 O ILE A 55 19.353 3.573 -2.835 1.00 0.00 O ATOM 797 CB ILE A 55 21.832 2.589 -4.730 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.663 1.451 -5.415 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.484 3.010 -3.391 1.00 0.00 C ATOM 800 CD1 ILE A 55 24.070 1.843 -5.844 1.00 0.00 C ATOM 0 H ILE A 55 20.346 1.808 -6.607 1.00 0.00 H new ATOM 0 HA ILE A 55 20.300 1.362 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 55 21.830 3.461 -5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.732 0.609 -4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.117 1.102 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.516 3.313 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.929 3.845 -2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.467 2.169 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.561 0.987 -6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.017 2.662 -6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.641 2.161 -4.972 1.00 0.00 H new ATOM 812 N ALA A 56 18.839 4.041 -4.999 1.00 0.00 N ATOM 813 CA ALA A 56 17.960 5.197 -4.717 1.00 0.00 C ATOM 814 C ALA A 56 16.612 4.740 -4.123 1.00 0.00 C ATOM 815 O ALA A 56 16.158 5.259 -3.095 1.00 0.00 O ATOM 816 CB ALA A 56 17.731 6.006 -6.007 1.00 0.00 C ATOM 0 H ALA A 56 18.931 3.834 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 56 18.452 5.831 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.083 6.856 -5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.688 6.365 -6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.260 5.370 -6.756 1.00 0.00 H new ATOM 822 N GLU A 57 15.991 3.748 -4.787 1.00 0.00 N ATOM 823 CA GLU A 57 14.666 3.210 -4.404 1.00 0.00 C ATOM 824 C GLU A 57 14.774 2.139 -3.309 1.00 0.00 C ATOM 825 O GLU A 57 13.750 1.646 -2.823 1.00 0.00 O ATOM 826 CB GLU A 57 13.930 2.639 -5.646 1.00 0.00 C ATOM 827 CG GLU A 57 13.703 3.672 -6.765 1.00 0.00 C ATOM 828 CD GLU A 57 12.695 3.208 -7.829 1.00 0.00 C ATOM 829 OE1 GLU A 57 11.476 3.446 -7.654 1.00 0.00 O ATOM 830 OE2 GLU A 57 13.108 2.596 -8.835 1.00 0.00 O ATOM 0 H GLU A 57 16.392 3.293 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 57 14.086 4.038 -3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.506 1.805 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.966 2.239 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.350 4.604 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.656 3.889 -7.248 1.00 0.00 H new ATOM 837 N ALA A 58 16.009 1.781 -2.928 1.00 0.00 N ATOM 838 CA ALA A 58 16.256 0.811 -1.853 1.00 0.00 C ATOM 839 C ALA A 58 15.757 1.359 -0.505 1.00 0.00 C ATOM 840 O ALA A 58 16.362 2.268 0.074 1.00 0.00 O ATOM 841 CB ALA A 58 17.741 0.440 -1.765 1.00 0.00 C ATOM 0 H ALA A 58 16.858 2.153 -3.353 1.00 0.00 H new ATOM 0 HA ALA A 58 15.699 -0.096 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.889 -0.279 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 58 18.063 -0.001 -2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.329 1.336 -1.564 1.00 0.00 H new ATOM 847 N THR A 59 14.611 0.833 -0.063 1.00 0.00 N ATOM 848 CA THR A 59 14.105 1.011 1.297 1.00 0.00 C ATOM 849 C THR A 59 15.126 0.423 2.302 1.00 0.00 C ATOM 850 O THR A 59 15.363 0.987 3.377 1.00 0.00 O ATOM 851 CB THR A 59 12.714 0.295 1.437 1.00 0.00 C ATOM 852 OG1 THR A 59 11.839 0.724 0.374 1.00 0.00 O ATOM 853 CG2 THR A 59 12.032 0.554 2.795 1.00 0.00 C ATOM 0 H THR A 59 14.001 0.264 -0.650 1.00 0.00 H new ATOM 0 HA THR A 59 13.972 2.072 1.510 1.00 0.00 H new ATOM 0 HB THR A 59 12.904 -0.776 1.373 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.972 0.275 0.462 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.076 0.032 2.827 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.672 0.190 3.599 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.865 1.624 2.920 1.00 0.00 H new ATOM 861 N ILE A 60 15.749 -0.715 1.910 1.00 0.00 N ATOM 862 CA ILE A 60 16.766 -1.419 2.733 1.00 0.00 C ATOM 863 C ILE A 60 17.970 -1.845 1.864 1.00 0.00 C ATOM 864 O ILE A 60 17.796 -2.227 0.703 1.00 0.00 O ATOM 865 CB ILE A 60 16.140 -2.690 3.431 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.987 -2.280 4.395 1.00 0.00 C ATOM 867 CG2 ILE A 60 17.202 -3.523 4.189 1.00 0.00 C ATOM 868 CD1 ILE A 60 14.284 -3.426 5.088 1.00 0.00 C ATOM 0 H ILE A 60 15.562 -1.171 1.017 1.00 0.00 H new ATOM 0 HA ILE A 60 17.110 -0.727 3.502 1.00 0.00 H new ATOM 0 HB ILE A 60 15.733 -3.319 2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.392 -1.611 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.249 -1.711 3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.724 -4.386 4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.965 -3.863 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.665 -2.907 4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.500 -3.034 5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.842 -4.086 4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.003 -3.985 5.687 1.00 0.00 H new ATOM 880 N ILE A 61 19.192 -1.751 2.446 1.00 0.00 N ATOM 881 CA ILE A 61 20.442 -2.269 1.842 1.00 0.00 C ATOM 882 C ILE A 61 21.164 -3.142 2.888 1.00 0.00 C ATOM 883 O ILE A 61 21.231 -2.757 4.061 1.00 0.00 O ATOM 884 CB ILE A 61 21.413 -1.107 1.390 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.638 -0.019 0.578 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.614 -1.668 0.575 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.462 1.171 0.142 1.00 0.00 C ATOM 0 H ILE A 61 19.337 -1.310 3.354 1.00 0.00 H new ATOM 0 HA ILE A 61 20.177 -2.844 0.955 1.00 0.00 H new ATOM 0 HB ILE A 61 21.814 -0.634 2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.209 -0.487 -0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.806 0.339 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.266 -0.847 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.175 -2.372 1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.244 -2.179 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.832 1.866 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.870 1.673 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.279 0.834 -0.495 1.00 0.00 H new ATOM 899 N ILE A 62 21.676 -4.323 2.478 1.00 0.00 N ATOM 900 CA ILE A 62 22.493 -5.203 3.356 1.00 0.00 C ATOM 901 C ILE A 62 23.839 -5.520 2.664 1.00 0.00 C ATOM 902 O ILE A 62 23.849 -6.213 1.652 1.00 0.00 O ATOM 903 CB ILE A 62 21.777 -6.583 3.709 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.329 -6.401 4.289 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.638 -7.411 4.693 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.225 -6.306 3.252 1.00 0.00 C ATOM 0 H ILE A 62 21.539 -4.695 1.538 1.00 0.00 H new ATOM 0 HA ILE A 62 22.639 -4.656 4.288 1.00 0.00 H new ATOM 0 HB ILE A 62 21.677 -7.120 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.112 -7.239 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.310 -5.499 4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.131 -8.349 4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.606 -7.623 4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.784 -6.845 5.613 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.265 -6.182 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.409 -5.450 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.207 -7.218 2.655 1.00 0.00 H new ATOM 918 N HIS A 63 24.977 -5.027 3.197 1.00 0.00 N ATOM 919 CA HIS A 63 26.316 -5.412 2.682 1.00 0.00 C ATOM 920 C HIS A 63 26.799 -6.675 3.408 1.00 0.00 C ATOM 921 O HIS A 63 27.471 -6.607 4.437 1.00 0.00 O ATOM 922 CB HIS A 63 27.352 -4.252 2.780 1.00 0.00 C ATOM 923 CG HIS A 63 27.265 -3.239 1.660 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.318 -2.409 1.366 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.249 -2.978 0.792 1.00 0.00 C ATOM 926 CE1 HIS A 63 27.929 -1.676 0.346 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.685 -1.984 -0.041 1.00 0.00 N ATOM 0 H HIS A 63 25.000 -4.368 3.975 1.00 0.00 H new ATOM 0 HA HIS A 63 26.222 -5.630 1.618 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.213 -3.737 3.731 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.355 -4.678 2.791 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.284 -3.463 0.766 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.539 -0.918 -0.123 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.163 -1.560 -0.808 1.00 0.00 H new ATOM 935 N SER A 64 26.384 -7.826 2.868 1.00 0.00 N ATOM 936 CA SER A 64 26.776 -9.150 3.351 1.00 0.00 C ATOM 937 C SER A 64 28.133 -9.525 2.762 1.00 0.00 C ATOM 938 O SER A 64 28.219 -10.216 1.737 1.00 0.00 O ATOM 939 CB SER A 64 25.704 -10.163 2.940 1.00 0.00 C ATOM 940 OG SER A 64 24.441 -9.752 3.402 1.00 0.00 O ATOM 0 H SER A 64 25.754 -7.861 2.067 1.00 0.00 H new ATOM 0 HA SER A 64 26.863 -9.148 4.438 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.687 -10.264 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 64 25.946 -11.144 3.348 1.00 0.00 H new ATOM 0 HG SER A 64 24.025 -9.165 2.737 1.00 0.00 H new ATOM 946 N VAL A 65 29.208 -9.023 3.372 1.00 0.00 N ATOM 947 CA VAL A 65 30.553 -9.136 2.793 1.00 0.00 C ATOM 948 C VAL A 65 31.562 -9.749 3.779 1.00 0.00 C ATOM 949 O VAL A 65 31.335 -9.800 4.989 1.00 0.00 O ATOM 950 CB VAL A 65 31.040 -7.733 2.260 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.064 -7.173 1.191 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.238 -6.710 3.406 1.00 0.00 C ATOM 0 H VAL A 65 29.176 -8.534 4.267 1.00 0.00 H new ATOM 0 HA VAL A 65 30.494 -9.823 1.949 1.00 0.00 H new ATOM 0 HB VAL A 65 32.012 -7.892 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.424 -6.205 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.009 -7.865 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.073 -7.055 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.573 -5.759 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.294 -6.564 3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.986 -7.086 4.104 1.00 0.00 H new ATOM 962 N ALA A 66 32.645 -10.275 3.205 1.00 0.00 N ATOM 963 CA ALA A 66 33.816 -10.802 3.928 1.00 0.00 C ATOM 964 C ALA A 66 35.050 -9.967 3.549 1.00 0.00 C ATOM 965 O ALA A 66 36.045 -9.930 4.279 1.00 0.00 O ATOM 966 CB ALA A 66 34.027 -12.286 3.586 1.00 0.00 C ATOM 0 H ALA A 66 32.740 -10.351 2.192 1.00 0.00 H new ATOM 0 HA ALA A 66 33.653 -10.730 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.895 -12.664 4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.144 -12.855 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.192 -12.392 2.514 1.00 0.00 H new ATOM 972 N VAL A 67 34.948 -9.298 2.383 1.00 0.00 N ATOM 973 CA VAL A 67 35.949 -8.358 1.857 1.00 0.00 C ATOM 974 C VAL A 67 35.247 -7.034 1.552 1.00 0.00 C ATOM 975 O VAL A 67 34.027 -7.014 1.351 1.00 0.00 O ATOM 976 CB VAL A 67 36.658 -8.889 0.549 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.621 -10.050 0.870 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.627 -9.297 -0.543 1.00 0.00 C ATOM 0 H VAL A 67 34.142 -9.402 1.766 1.00 0.00 H new ATOM 0 HA VAL A 67 36.727 -8.235 2.611 1.00 0.00 H new ATOM 0 HB VAL A 67 37.248 -8.067 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.094 -10.395 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.387 -9.706 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.064 -10.871 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.155 -9.657 -1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 67 34.983 -10.088 -0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.019 -8.433 -0.811 1.00 0.00 H new ATOM 988 N THR A 68 36.017 -5.939 1.528 1.00 0.00 N ATOM 989 CA THR A 68 35.495 -4.616 1.192 1.00 0.00 C ATOM 990 C THR A 68 35.038 -4.605 -0.285 1.00 0.00 C ATOM 991 O THR A 68 35.866 -4.861 -1.176 1.00 0.00 O ATOM 992 CB THR A 68 36.579 -3.509 1.430 1.00 0.00 C ATOM 993 OG1 THR A 68 37.074 -3.602 2.779 1.00 0.00 O ATOM 994 CG2 THR A 68 36.025 -2.091 1.185 1.00 0.00 C ATOM 0 H THR A 68 37.015 -5.949 1.741 1.00 0.00 H new ATOM 0 HA THR A 68 34.645 -4.399 1.839 1.00 0.00 H new ATOM 0 HB THR A 68 37.385 -3.679 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.753 -2.911 2.927 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.812 -1.357 1.362 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.678 -2.009 0.155 1.00 0.00 H new ATOM 0 HG23 THR A 68 35.194 -1.903 1.864 1.00 0.00 H new ATOM 1002 N PRO A 69 33.718 -4.362 -0.574 1.00 0.00 N ATOM 1003 CA PRO A 69 33.239 -4.239 -1.964 1.00 0.00 C ATOM 1004 C PRO A 69 33.769 -2.942 -2.611 1.00 0.00 C ATOM 1005 O PRO A 69 33.952 -1.934 -1.918 1.00 0.00 O ATOM 1006 CB PRO A 69 31.703 -4.246 -1.817 1.00 0.00 C ATOM 1007 CG PRO A 69 31.438 -3.732 -0.434 1.00 0.00 C ATOM 1008 CD PRO A 69 32.607 -4.190 0.411 1.00 0.00 C ATOM 0 HA PRO A 69 33.586 -5.037 -2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.233 -3.613 -2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.299 -5.250 -1.948 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.356 -2.645 -0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.498 -4.124 -0.045 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.860 -3.454 1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.384 -5.123 0.929 1.00 0.00 H new ATOM 1016 N GLU A 70 34.037 -2.989 -3.924 1.00 0.00 N ATOM 1017 CA GLU A 70 34.644 -1.858 -4.663 1.00 0.00 C ATOM 1018 C GLU A 70 33.727 -0.621 -4.639 1.00 0.00 C ATOM 1019 O GLU A 70 34.150 0.492 -4.301 1.00 0.00 O ATOM 1020 CB GLU A 70 34.937 -2.256 -6.140 1.00 0.00 C ATOM 1021 CG GLU A 70 35.733 -3.564 -6.332 1.00 0.00 C ATOM 1022 CD GLU A 70 37.064 -3.595 -5.565 1.00 0.00 C ATOM 1023 OE1 GLU A 70 38.014 -2.899 -5.981 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.165 -4.319 -4.549 1.00 0.00 O ATOM 0 H GLU A 70 33.843 -3.804 -4.506 1.00 0.00 H new ATOM 0 HA GLU A 70 35.582 -1.610 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 70 33.988 -2.348 -6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.488 -1.444 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.118 -4.404 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 70 35.933 -3.705 -7.394 1.00 0.00 H new ATOM 1031 N ASP A 71 32.450 -0.864 -4.955 1.00 0.00 N ATOM 1032 CA ASP A 71 31.445 0.192 -5.195 1.00 0.00 C ATOM 1033 C ASP A 71 30.636 0.507 -3.929 1.00 0.00 C ATOM 1034 O ASP A 71 29.526 1.028 -4.007 1.00 0.00 O ATOM 1035 CB ASP A 71 30.534 -0.261 -6.360 1.00 0.00 C ATOM 1036 CG ASP A 71 31.342 -0.525 -7.642 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.623 0.437 -8.393 1.00 0.00 O ATOM 1038 OD2 ASP A 71 31.739 -1.692 -7.879 1.00 0.00 O ATOM 0 H ASP A 71 32.076 -1.808 -5.054 1.00 0.00 H new ATOM 0 HA ASP A 71 31.949 1.120 -5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.999 -1.167 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.783 0.505 -6.554 1.00 0.00 H new ATOM 1043 N ASN A 72 31.258 0.259 -2.760 1.00 0.00 N ATOM 1044 CA ASN A 72 30.652 0.461 -1.427 1.00 0.00 C ATOM 1045 C ASN A 72 30.240 1.944 -1.191 1.00 0.00 C ATOM 1046 O ASN A 72 29.289 2.228 -0.452 1.00 0.00 O ATOM 1047 CB ASN A 72 31.657 -0.022 -0.342 1.00 0.00 C ATOM 1048 CG ASN A 72 32.851 0.926 -0.140 1.00 0.00 C ATOM 1049 OD1 ASN A 72 32.844 1.783 0.746 1.00 0.00 O ATOM 1050 ND2 ASN A 72 33.870 0.795 -0.978 1.00 0.00 N ATOM 0 H ASN A 72 32.214 -0.094 -2.714 1.00 0.00 H new ATOM 0 HA ASN A 72 29.735 -0.125 -1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.129 -0.134 0.605 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.030 -1.008 -0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 72 34.677 1.413 -0.900 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.846 0.076 -1.701 1.00 0.00 H new ATOM 1057 N GLU A 73 30.957 2.865 -1.866 1.00 0.00 N ATOM 1058 CA GLU A 73 30.761 4.327 -1.736 1.00 0.00 C ATOM 1059 C GLU A 73 29.519 4.835 -2.501 1.00 0.00 C ATOM 1060 O GLU A 73 29.103 5.982 -2.318 1.00 0.00 O ATOM 1061 CB GLU A 73 32.060 5.083 -2.167 1.00 0.00 C ATOM 1062 CG GLU A 73 32.748 4.587 -3.463 1.00 0.00 C ATOM 1063 CD GLU A 73 31.900 4.710 -4.739 1.00 0.00 C ATOM 1064 OE1 GLU A 73 31.555 5.846 -5.123 1.00 0.00 O ATOM 1065 OE2 GLU A 73 31.573 3.673 -5.355 1.00 0.00 O ATOM 0 H GLU A 73 31.696 2.615 -2.523 1.00 0.00 H new ATOM 0 HA GLU A 73 30.566 4.541 -0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 73 31.816 6.138 -2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.780 5.017 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 73 33.672 5.149 -3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 73 33.028 3.542 -3.330 1.00 0.00 H new ATOM 1072 N ARG A 74 28.952 3.987 -3.380 1.00 0.00 N ATOM 1073 CA ARG A 74 27.660 4.274 -4.045 1.00 0.00 C ATOM 1074 C ARG A 74 26.501 4.209 -3.032 1.00 0.00 C ATOM 1075 O ARG A 74 25.431 4.789 -3.242 1.00 0.00 O ATOM 1076 CB ARG A 74 27.388 3.266 -5.187 1.00 0.00 C ATOM 1077 CG ARG A 74 28.376 3.328 -6.360 1.00 0.00 C ATOM 1078 CD ARG A 74 28.001 2.348 -7.483 1.00 0.00 C ATOM 1079 NE ARG A 74 28.858 2.501 -8.665 1.00 0.00 N ATOM 1080 CZ ARG A 74 28.928 1.635 -9.686 1.00 0.00 C ATOM 1081 NH1 ARG A 74 28.246 0.487 -9.664 1.00 0.00 N ATOM 1082 NH2 ARG A 74 29.706 1.909 -10.720 1.00 0.00 N ATOM 0 H ARG A 74 29.367 3.095 -3.649 1.00 0.00 H new ATOM 0 HA ARG A 74 27.723 5.279 -4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.403 2.258 -4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.382 3.438 -5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.402 4.342 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.380 3.100 -6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 74 28.078 1.326 -7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 74 26.961 2.506 -7.768 1.00 0.00 H new ATOM 0 HE ARG A 74 29.447 3.332 -8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 74 27.660 0.257 -8.861 1.00 0.00 H new ATOM 0 HH12 ARG A 74 28.311 -0.160 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 74 30.247 2.774 -10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 74 29.765 1.256 -11.501 1.00 0.00 H new ATOM 1096 N PHE A 75 26.747 3.469 -1.945 1.00 0.00 N ATOM 1097 CA PHE A 75 25.777 3.204 -0.867 1.00 0.00 C ATOM 1098 C PHE A 75 26.106 4.059 0.384 1.00 0.00 C ATOM 1099 O PHE A 75 25.469 3.902 1.427 1.00 0.00 O ATOM 1100 CB PHE A 75 25.829 1.689 -0.513 1.00 0.00 C ATOM 1101 CG PHE A 75 25.732 0.735 -1.708 1.00 0.00 C ATOM 1102 CD1 PHE A 75 26.860 0.428 -2.471 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.524 0.157 -2.075 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.783 -0.436 -3.543 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.453 -0.707 -3.146 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.579 -0.997 -3.887 1.00 0.00 C ATOM 0 H PHE A 75 27.650 3.024 -1.783 1.00 0.00 H new ATOM 0 HA PHE A 75 24.775 3.472 -1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 75 26.760 1.488 0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.015 1.465 0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 75 27.810 0.875 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.630 0.387 -1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.670 -0.671 -4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.508 -1.160 -3.407 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.514 -1.663 -4.735 1.00 0.00 H new ATOM 1116 N GLU A 76 27.078 4.987 0.233 1.00 0.00 N ATOM 1117 CA GLU A 76 27.679 5.778 1.341 1.00 0.00 C ATOM 1118 C GLU A 76 26.621 6.572 2.147 1.00 0.00 C ATOM 1119 O GLU A 76 26.544 6.470 3.375 1.00 0.00 O ATOM 1120 CB GLU A 76 28.723 6.759 0.731 1.00 0.00 C ATOM 1121 CG GLU A 76 29.595 7.541 1.735 1.00 0.00 C ATOM 1122 CD GLU A 76 30.598 6.655 2.495 1.00 0.00 C ATOM 1123 OE1 GLU A 76 31.635 6.279 1.910 1.00 0.00 O ATOM 1124 OE2 GLU A 76 30.359 6.325 3.670 1.00 0.00 O ATOM 0 H GLU A 76 27.477 5.214 -0.678 1.00 0.00 H new ATOM 0 HA GLU A 76 28.151 5.086 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 76 29.383 6.192 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 76 28.193 7.478 0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 76 30.141 8.319 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 76 28.947 8.042 2.454 1.00 0.00 H new ATOM 1131 N SER A 77 25.806 7.346 1.420 1.00 0.00 N ATOM 1132 CA SER A 77 24.800 8.263 1.995 1.00 0.00 C ATOM 1133 C SER A 77 23.452 7.550 2.268 1.00 0.00 C ATOM 1134 O SER A 77 22.522 8.152 2.821 1.00 0.00 O ATOM 1135 CB SER A 77 24.624 9.457 1.018 1.00 0.00 C ATOM 1136 OG SER A 77 23.666 10.406 1.466 1.00 0.00 O ATOM 0 H SER A 77 25.823 7.357 0.400 1.00 0.00 H new ATOM 0 HA SER A 77 25.148 8.622 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 77 25.585 9.954 0.885 1.00 0.00 H new ATOM 0 HB3 SER A 77 24.323 9.078 0.041 1.00 0.00 H new ATOM 0 HG SER A 77 23.094 9.996 2.148 1.00 0.00 H new ATOM 1142 N ARG A 78 23.372 6.259 1.905 1.00 0.00 N ATOM 1143 CA ARG A 78 22.130 5.461 1.965 1.00 0.00 C ATOM 1144 C ARG A 78 22.164 4.513 3.191 1.00 0.00 C ATOM 1145 O ARG A 78 23.246 4.235 3.729 1.00 0.00 O ATOM 1146 CB ARG A 78 21.982 4.668 0.636 1.00 0.00 C ATOM 1147 CG ARG A 78 22.140 5.515 -0.651 1.00 0.00 C ATOM 1148 CD ARG A 78 21.066 6.603 -0.811 1.00 0.00 C ATOM 1149 NE ARG A 78 21.329 7.451 -1.992 1.00 0.00 N ATOM 1150 CZ ARG A 78 20.445 8.274 -2.582 1.00 0.00 C ATOM 1151 NH1 ARG A 78 19.191 8.371 -2.151 1.00 0.00 N ATOM 1152 NH2 ARG A 78 20.827 9.004 -3.618 1.00 0.00 N ATOM 0 H ARG A 78 24.174 5.733 1.558 1.00 0.00 H new ATOM 0 HA ARG A 78 21.266 6.116 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 78 22.724 3.870 0.622 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.002 4.192 0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 78 23.123 5.985 -0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.106 4.854 -1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.085 6.137 -0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.038 7.223 0.085 1.00 0.00 H new ATOM 0 HE ARG A 78 22.265 7.408 -2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.881 7.813 -1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.539 9.003 -2.616 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.785 8.939 -3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 78 20.163 9.631 -4.072 1.00 0.00 H new ATOM 1166 N ASP A 79 20.979 4.033 3.637 1.00 0.00 N ATOM 1167 CA ASP A 79 20.858 3.181 4.849 1.00 0.00 C ATOM 1168 C ASP A 79 21.298 1.730 4.558 1.00 0.00 C ATOM 1169 O ASP A 79 20.537 0.928 3.998 1.00 0.00 O ATOM 1170 CB ASP A 79 19.414 3.221 5.431 1.00 0.00 C ATOM 1171 CG ASP A 79 19.087 4.566 6.108 1.00 0.00 C ATOM 1172 OD1 ASP A 79 19.410 4.735 7.310 1.00 0.00 O ATOM 1173 OD2 ASP A 79 18.532 5.465 5.439 1.00 0.00 O ATOM 0 H ASP A 79 20.089 4.221 3.175 1.00 0.00 H new ATOM 0 HA ASP A 79 21.530 3.589 5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.698 3.038 4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.295 2.415 6.155 1.00 0.00 H new ATOM 1178 N VAL A 80 22.553 1.420 4.944 1.00 0.00 N ATOM 1179 CA VAL A 80 23.185 0.107 4.716 1.00 0.00 C ATOM 1180 C VAL A 80 23.408 -0.623 6.052 1.00 0.00 C ATOM 1181 O VAL A 80 23.752 0.000 7.064 1.00 0.00 O ATOM 1182 CB VAL A 80 24.566 0.260 3.973 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.187 -1.110 3.629 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.414 1.123 2.710 1.00 0.00 C ATOM 0 H VAL A 80 23.161 2.082 5.427 1.00 0.00 H new ATOM 0 HA VAL A 80 22.511 -0.476 4.089 1.00 0.00 H new ATOM 0 HB VAL A 80 25.249 0.765 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.138 -0.960 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.353 -1.675 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.509 -1.664 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.380 1.215 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.701 0.654 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.053 2.113 2.987 1.00 0.00 H new ATOM 1194 N TYR A 81 23.203 -1.952 6.028 1.00 0.00 N ATOM 1195 CA TYR A 81 23.418 -2.848 7.173 1.00 0.00 C ATOM 1196 C TYR A 81 24.533 -3.847 6.814 1.00 0.00 C ATOM 1197 O TYR A 81 24.290 -4.865 6.160 1.00 0.00 O ATOM 1198 CB TYR A 81 22.078 -3.549 7.557 1.00 0.00 C ATOM 1199 CG TYR A 81 21.047 -2.557 8.127 1.00 0.00 C ATOM 1200 CD1 TYR A 81 20.278 -1.739 7.286 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.881 -2.408 9.503 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.389 -0.819 7.803 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.995 -1.485 10.020 1.00 0.00 C ATOM 1204 CZ TYR A 81 19.248 -0.698 9.169 1.00 0.00 C ATOM 1205 OH TYR A 81 18.359 0.219 9.686 1.00 0.00 O ATOM 0 H TYR A 81 22.877 -2.441 5.194 1.00 0.00 H new ATOM 0 HA TYR A 81 23.740 -2.288 8.051 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.661 -4.039 6.677 1.00 0.00 H new ATOM 0 HB3 TYR A 81 22.275 -4.329 8.293 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.384 -1.831 6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.456 -3.026 10.177 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.806 -0.196 7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.887 -1.379 11.089 1.00 0.00 H new ATOM 0 HH TYR A 81 18.379 0.178 10.665 1.00 0.00 H new ATOM 1215 N GLU A 82 25.770 -3.482 7.187 1.00 0.00 N ATOM 1216 CA GLU A 82 26.984 -4.257 6.877 1.00 0.00 C ATOM 1217 C GLU A 82 27.163 -5.407 7.882 1.00 0.00 C ATOM 1218 O GLU A 82 27.355 -5.178 9.079 1.00 0.00 O ATOM 1219 CB GLU A 82 28.219 -3.323 6.889 1.00 0.00 C ATOM 1220 CG GLU A 82 28.121 -2.153 5.894 1.00 0.00 C ATOM 1221 CD GLU A 82 29.290 -1.165 6.012 1.00 0.00 C ATOM 1222 OE1 GLU A 82 29.251 -0.303 6.922 1.00 0.00 O ATOM 1223 OE2 GLU A 82 30.258 -1.252 5.222 1.00 0.00 O ATOM 0 H GLU A 82 25.958 -2.632 7.718 1.00 0.00 H new ATOM 0 HA GLU A 82 26.881 -4.692 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.351 -2.923 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 82 29.109 -3.909 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 82 28.088 -2.549 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.184 -1.620 6.059 1.00 0.00 H new ATOM 1230 N ILE A 83 27.061 -6.631 7.370 1.00 0.00 N ATOM 1231 CA ILE A 83 27.254 -7.880 8.133 1.00 0.00 C ATOM 1232 C ILE A 83 28.322 -8.741 7.426 1.00 0.00 C ATOM 1233 O ILE A 83 28.951 -8.294 6.448 1.00 0.00 O ATOM 1234 CB ILE A 83 25.907 -8.700 8.220 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.389 -9.029 6.783 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.825 -7.956 9.050 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.225 -9.985 6.734 1.00 0.00 C ATOM 0 H ILE A 83 26.836 -6.795 6.389 1.00 0.00 H new ATOM 0 HA ILE A 83 27.574 -7.626 9.143 1.00 0.00 H new ATOM 0 HB ILE A 83 26.115 -9.634 8.742 1.00 0.00 H new ATOM 0 HG12 ILE A 83 25.098 -8.099 6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.211 -9.449 6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.916 -8.556 9.083 1.00 0.00 H new ATOM 0 HG22 ILE A 83 25.191 -7.795 10.064 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.608 -6.994 8.586 1.00 0.00 H new ATOM 0 HD11 ILE A 83 23.935 -10.153 5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.513 -10.933 7.188 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.383 -9.562 7.282 1.00 0.00 H new ATOM 1249 N THR A 84 28.529 -9.974 7.918 1.00 0.00 N ATOM 1250 CA THR A 84 29.320 -10.976 7.195 1.00 0.00 C ATOM 1251 C THR A 84 28.464 -11.640 6.119 1.00 0.00 C ATOM 1252 O THR A 84 27.235 -11.735 6.251 1.00 0.00 O ATOM 1253 CB THR A 84 29.903 -12.076 8.132 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.860 -12.681 8.916 1.00 0.00 O ATOM 1255 CG2 THR A 84 30.993 -11.502 9.036 1.00 0.00 C ATOM 0 H THR A 84 28.159 -10.297 8.812 1.00 0.00 H new ATOM 0 HA THR A 84 30.159 -10.446 6.744 1.00 0.00 H new ATOM 0 HB THR A 84 30.353 -12.847 7.507 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.245 -13.370 9.497 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.384 -12.290 9.680 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.800 -11.101 8.423 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.574 -10.705 9.651 1.00 0.00 H new ATOM 1263 N LEU A 85 29.133 -12.111 5.059 1.00 0.00 N ATOM 1264 CA LEU A 85 28.484 -12.904 3.995 1.00 0.00 C ATOM 1265 C LEU A 85 27.921 -14.232 4.566 1.00 0.00 C ATOM 1266 O LEU A 85 26.951 -14.783 4.041 1.00 0.00 O ATOM 1267 CB LEU A 85 29.492 -13.131 2.827 1.00 0.00 C ATOM 1268 CG LEU A 85 28.889 -13.656 1.467 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.629 -13.074 0.248 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.872 -15.195 1.395 1.00 0.00 C ATOM 0 H LEU A 85 30.130 -11.958 4.911 1.00 0.00 H new ATOM 0 HA LEU A 85 27.631 -12.356 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.005 -12.189 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.247 -13.842 3.162 1.00 0.00 H new ATOM 0 HG LEU A 85 27.857 -13.307 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.182 -13.461 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.550 -11.987 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.680 -13.362 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.449 -15.510 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.890 -15.575 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.265 -15.591 2.210 1.00 0.00 H new ATOM 1282 N GLN A 86 28.537 -14.700 5.669 1.00 0.00 N ATOM 1283 CA GLN A 86 28.103 -15.897 6.399 1.00 0.00 C ATOM 1284 C GLN A 86 26.710 -15.696 7.025 1.00 0.00 C ATOM 1285 O GLN A 86 25.846 -16.572 6.913 1.00 0.00 O ATOM 1286 CB GLN A 86 29.140 -16.249 7.500 1.00 0.00 C ATOM 1287 CG GLN A 86 28.820 -17.535 8.284 1.00 0.00 C ATOM 1288 CD GLN A 86 29.950 -17.980 9.211 1.00 0.00 C ATOM 1289 OE1 GLN A 86 30.013 -17.594 10.380 1.00 0.00 O ATOM 1290 NE2 GLN A 86 30.852 -18.799 8.690 1.00 0.00 N ATOM 0 H GLN A 86 29.356 -14.251 6.078 1.00 0.00 H new ATOM 0 HA GLN A 86 28.035 -16.722 5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.122 -16.354 7.038 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.205 -15.417 8.201 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.918 -17.376 8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.602 -18.337 7.578 1.00 0.00 H new ATOM 0 HE21 GLN A 86 30.768 -19.098 7.718 1.00 0.00 H new ATOM 0 HE22 GLN A 86 31.630 -19.130 9.261 1.00 0.00 H new ATOM 1299 N ASP A 87 26.512 -14.523 7.671 1.00 0.00 N ATOM 1300 CA ASP A 87 25.245 -14.171 8.349 1.00 0.00 C ATOM 1301 C ASP A 87 24.079 -14.125 7.352 1.00 0.00 C ATOM 1302 O ASP A 87 22.947 -14.414 7.711 1.00 0.00 O ATOM 1303 CB ASP A 87 25.363 -12.817 9.104 1.00 0.00 C ATOM 1304 CG ASP A 87 24.251 -12.619 10.157 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.182 -13.431 11.110 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.439 -11.674 10.037 1.00 0.00 O ATOM 0 H ASP A 87 27.225 -13.797 7.736 1.00 0.00 H new ATOM 0 HA ASP A 87 25.042 -14.952 9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.335 -12.763 9.594 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.324 -12.000 8.383 1.00 0.00 H new ATOM 1311 N ALA A 88 24.383 -13.764 6.098 1.00 0.00 N ATOM 1312 CA ALA A 88 23.406 -13.755 4.994 1.00 0.00 C ATOM 1313 C ALA A 88 22.885 -15.164 4.683 1.00 0.00 C ATOM 1314 O ALA A 88 21.687 -15.364 4.494 1.00 0.00 O ATOM 1315 CB ALA A 88 24.050 -13.145 3.755 1.00 0.00 C ATOM 0 H ALA A 88 25.318 -13.468 5.817 1.00 0.00 H new ATOM 0 HA ALA A 88 22.550 -13.153 5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.330 -13.137 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.363 -12.124 3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.919 -13.737 3.468 1.00 0.00 H new ATOM 1321 N ILE A 89 23.816 -16.129 4.657 1.00 0.00 N ATOM 1322 CA ILE A 89 23.526 -17.534 4.318 1.00 0.00 C ATOM 1323 C ILE A 89 22.667 -18.211 5.415 1.00 0.00 C ATOM 1324 O ILE A 89 21.734 -18.958 5.106 1.00 0.00 O ATOM 1325 CB ILE A 89 24.874 -18.327 4.099 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.718 -17.667 2.958 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.622 -19.827 3.786 1.00 0.00 C ATOM 1328 CD1 ILE A 89 27.155 -18.158 2.860 1.00 0.00 C ATOM 0 H ILE A 89 24.798 -15.957 4.872 1.00 0.00 H new ATOM 0 HA ILE A 89 22.952 -17.550 3.392 1.00 0.00 H new ATOM 0 HB ILE A 89 25.436 -18.277 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 89 25.221 -17.850 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.727 -16.588 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.576 -20.334 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 89 24.088 -20.287 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 89 24.025 -19.914 2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.660 -17.645 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.675 -17.950 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 89 27.161 -19.232 2.673 1.00 0.00 H new ATOM 1340 N LYS A 90 22.988 -17.930 6.696 1.00 0.00 N ATOM 1341 CA LYS A 90 22.317 -18.577 7.852 1.00 0.00 C ATOM 1342 C LYS A 90 21.039 -17.819 8.276 1.00 0.00 C ATOM 1343 O LYS A 90 19.950 -18.395 8.336 1.00 0.00 O ATOM 1344 CB LYS A 90 23.296 -18.710 9.068 1.00 0.00 C ATOM 1345 CG LYS A 90 24.024 -17.406 9.482 1.00 0.00 C ATOM 1346 CD LYS A 90 24.788 -17.482 10.831 1.00 0.00 C ATOM 1347 CE LYS A 90 26.084 -18.318 10.784 1.00 0.00 C ATOM 1348 NZ LYS A 90 25.843 -19.776 10.625 1.00 0.00 N ATOM 0 H LYS A 90 23.709 -17.258 6.960 1.00 0.00 H new ATOM 0 HA LYS A 90 22.021 -19.575 7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.735 -19.080 9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.046 -19.464 8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.730 -17.137 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.291 -16.601 9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.034 -16.470 11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.125 -17.904 11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.703 -17.968 9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.650 -18.149 11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 26.530 -20.306 11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 24.879 -20.005 10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 25.951 -20.039 9.625 1.00 0.00 H new ATOM 1362 N ASN A 91 21.188 -16.511 8.516 1.00 0.00 N ATOM 1363 CA ASN A 91 20.180 -15.669 9.187 1.00 0.00 C ATOM 1364 C ASN A 91 19.417 -14.812 8.160 1.00 0.00 C ATOM 1365 O ASN A 91 18.927 -13.747 8.504 1.00 0.00 O ATOM 1366 CB ASN A 91 20.909 -14.750 10.217 1.00 0.00 C ATOM 1367 CG ASN A 91 19.978 -14.021 11.199 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.045 -14.606 11.754 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.180 -12.718 11.353 1.00 0.00 N ATOM 0 H ASN A 91 22.026 -15.995 8.246 1.00 0.00 H new ATOM 0 HA ASN A 91 19.456 -16.304 9.698 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.614 -15.354 10.787 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.493 -14.008 9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.554 -12.171 11.944 1.00 0.00 H new ATOM 0 HD22 ASN A 91 20.961 -12.264 10.880 1.00 0.00 H new ATOM 1376 N ALA A 92 19.304 -15.304 6.913 1.00 0.00 N ATOM 1377 CA ALA A 92 18.689 -14.560 5.782 1.00 0.00 C ATOM 1378 C ALA A 92 17.384 -13.837 6.177 1.00 0.00 C ATOM 1379 O ALA A 92 17.314 -12.588 6.175 1.00 0.00 O ATOM 1380 CB ALA A 92 18.431 -15.528 4.626 1.00 0.00 C ATOM 0 H ALA A 92 19.636 -16.233 6.653 1.00 0.00 H new ATOM 0 HA ALA A 92 19.391 -13.784 5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 92 17.980 -14.988 3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.374 -15.970 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.755 -16.317 4.956 1.00 0.00 H new ATOM 1386 N ALA A 93 16.385 -14.640 6.579 1.00 0.00 N ATOM 1387 CA ALA A 93 15.071 -14.143 6.996 1.00 0.00 C ATOM 1388 C ALA A 93 15.197 -13.205 8.204 1.00 0.00 C ATOM 1389 O ALA A 93 14.536 -12.166 8.242 1.00 0.00 O ATOM 1390 CB ALA A 93 14.133 -15.325 7.294 1.00 0.00 C ATOM 0 H ALA A 93 16.470 -15.655 6.623 1.00 0.00 H new ATOM 0 HA ALA A 93 14.639 -13.562 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.158 -14.947 7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.018 -15.934 6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.557 -15.933 8.093 1.00 0.00 H new ATOM 1396 N GLY A 94 16.107 -13.574 9.135 1.00 0.00 N ATOM 1397 CA GLY A 94 16.345 -12.836 10.370 1.00 0.00 C ATOM 1398 C GLY A 94 16.767 -11.398 10.125 1.00 0.00 C ATOM 1399 O GLY A 94 16.130 -10.479 10.620 1.00 0.00 O ATOM 0 H GLY A 94 16.695 -14.401 9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.438 -12.846 10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.118 -13.343 10.948 1.00 0.00 H new ATOM 1403 N ILE A 95 17.820 -11.223 9.316 1.00 0.00 N ATOM 1404 CA ILE A 95 18.371 -9.909 8.935 1.00 0.00 C ATOM 1405 C ILE A 95 17.261 -8.989 8.411 1.00 0.00 C ATOM 1406 O ILE A 95 17.054 -7.899 8.952 1.00 0.00 O ATOM 1407 CB ILE A 95 19.462 -10.075 7.818 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.612 -11.009 8.294 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.027 -8.703 7.354 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.325 -11.703 7.167 1.00 0.00 C ATOM 0 H ILE A 95 18.325 -12.004 8.898 1.00 0.00 H new ATOM 0 HA ILE A 95 18.821 -9.465 9.823 1.00 0.00 H new ATOM 0 HB ILE A 95 18.975 -10.538 6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.333 -10.423 8.864 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.204 -11.759 8.972 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.779 -8.862 6.581 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.218 -8.093 6.953 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.481 -8.191 8.202 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.114 -12.337 7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.616 -12.316 6.610 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.763 -10.960 6.501 1.00 0.00 H new ATOM 1422 N ILE A 96 16.537 -9.474 7.377 1.00 0.00 N ATOM 1423 CA ILE A 96 15.488 -8.689 6.704 1.00 0.00 C ATOM 1424 C ILE A 96 14.391 -8.236 7.707 1.00 0.00 C ATOM 1425 O ILE A 96 14.089 -7.044 7.775 1.00 0.00 O ATOM 1426 CB ILE A 96 14.868 -9.480 5.474 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.789 -9.376 4.206 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.436 -9.008 5.117 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.101 -10.131 4.253 1.00 0.00 C ATOM 0 H ILE A 96 16.664 -10.410 6.992 1.00 0.00 H new ATOM 0 HA ILE A 96 15.956 -7.789 6.305 1.00 0.00 H new ATOM 0 HB ILE A 96 14.805 -10.521 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.223 -9.731 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 96 16.009 -8.323 4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.064 -9.584 4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.779 -9.158 5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.456 -7.950 4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.642 -9.978 3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.702 -9.765 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.904 -11.195 4.388 1.00 0.00 H new ATOM 1441 N LYS A 97 13.845 -9.185 8.511 1.00 0.00 N ATOM 1442 CA LYS A 97 12.728 -8.899 9.462 1.00 0.00 C ATOM 1443 C LYS A 97 13.172 -7.990 10.624 1.00 0.00 C ATOM 1444 O LYS A 97 12.349 -7.275 11.206 1.00 0.00 O ATOM 1445 CB LYS A 97 12.062 -10.213 9.996 1.00 0.00 C ATOM 1446 CG LYS A 97 12.999 -11.208 10.743 1.00 0.00 C ATOM 1447 CD LYS A 97 13.268 -10.893 12.237 1.00 0.00 C ATOM 1448 CE LYS A 97 12.030 -11.037 13.124 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.335 -10.687 14.532 1.00 0.00 N ATOM 0 H LYS A 97 14.157 -10.156 8.523 1.00 0.00 H new ATOM 0 HA LYS A 97 11.973 -8.355 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.251 -9.936 10.669 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.611 -10.735 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.566 -12.206 10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.955 -11.239 10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.049 -11.559 12.606 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.650 -9.876 12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.235 -10.392 12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.660 -12.061 13.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.654 -11.157 15.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.298 -11.001 14.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.267 -9.657 14.656 1.00 0.00 H new ATOM 1463 N GLU A 98 14.474 -8.053 10.962 1.00 0.00 N ATOM 1464 CA GLU A 98 15.080 -7.204 12.002 1.00 0.00 C ATOM 1465 C GLU A 98 15.079 -5.740 11.542 1.00 0.00 C ATOM 1466 O GLU A 98 14.812 -4.830 12.333 1.00 0.00 O ATOM 1467 CB GLU A 98 16.529 -7.672 12.325 1.00 0.00 C ATOM 1468 CG GLU A 98 16.647 -8.944 13.188 1.00 0.00 C ATOM 1469 CD GLU A 98 16.017 -8.833 14.585 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.531 -8.050 15.412 1.00 0.00 O ATOM 1471 OE2 GLU A 98 15.043 -9.562 14.879 1.00 0.00 O ATOM 0 H GLU A 98 15.134 -8.694 10.521 1.00 0.00 H new ATOM 0 HA GLU A 98 14.488 -7.292 12.913 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.053 -7.844 11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.047 -6.860 12.835 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.177 -9.772 12.657 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.702 -9.195 13.299 1.00 0.00 H new ATOM 1478 N ILE A 99 15.346 -5.529 10.243 1.00 0.00 N ATOM 1479 CA ILE A 99 15.377 -4.182 9.658 1.00 0.00 C ATOM 1480 C ILE A 99 13.934 -3.688 9.447 1.00 0.00 C ATOM 1481 O ILE A 99 13.647 -2.523 9.665 1.00 0.00 O ATOM 1482 CB ILE A 99 16.179 -4.150 8.309 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.572 -4.851 8.467 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.362 -2.688 7.823 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.226 -5.250 7.154 1.00 0.00 C ATOM 0 H ILE A 99 15.544 -6.277 9.578 1.00 0.00 H new ATOM 0 HA ILE A 99 15.894 -3.517 10.349 1.00 0.00 H new ATOM 0 HB ILE A 99 15.606 -4.699 7.561 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.243 -4.181 9.005 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.449 -5.742 9.083 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.920 -2.683 6.887 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.385 -2.232 7.665 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.910 -2.121 8.575 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.185 -5.728 7.355 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.578 -5.947 6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.385 -4.362 6.542 1.00 0.00 H new ATOM 1497 N GLU A 100 13.046 -4.622 9.056 1.00 0.00 N ATOM 1498 CA GLU A 100 11.589 -4.390 8.899 1.00 0.00 C ATOM 1499 C GLU A 100 10.968 -3.762 10.156 1.00 0.00 C ATOM 1500 O GLU A 100 10.266 -2.757 10.065 1.00 0.00 O ATOM 1501 CB GLU A 100 10.872 -5.742 8.601 1.00 0.00 C ATOM 1502 CG GLU A 100 11.042 -6.277 7.169 1.00 0.00 C ATOM 1503 CD GLU A 100 9.898 -5.861 6.223 1.00 0.00 C ATOM 1504 OE1 GLU A 100 9.867 -4.679 5.792 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.028 -6.703 5.897 1.00 0.00 O ATOM 0 H GLU A 100 13.322 -5.579 8.835 1.00 0.00 H new ATOM 0 HA GLU A 100 11.456 -3.695 8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.245 -6.493 9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.807 -5.621 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.988 -5.917 6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.101 -7.365 7.200 1.00 0.00 H new ATOM 1512 N GLU A 101 11.223 -4.387 11.320 1.00 0.00 N ATOM 1513 CA GLU A 101 10.648 -3.947 12.605 1.00 0.00 C ATOM 1514 C GLU A 101 11.288 -2.624 13.080 1.00 0.00 C ATOM 1515 O GLU A 101 10.610 -1.793 13.690 1.00 0.00 O ATOM 1516 CB GLU A 101 10.787 -5.064 13.674 1.00 0.00 C ATOM 1517 CG GLU A 101 12.233 -5.427 14.041 1.00 0.00 C ATOM 1518 CD GLU A 101 12.341 -6.630 14.983 1.00 0.00 C ATOM 1519 OE1 GLU A 101 12.268 -6.440 16.214 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.471 -7.773 14.498 1.00 0.00 O ATOM 0 H GLU A 101 11.828 -5.204 11.397 1.00 0.00 H new ATOM 0 HA GLU A 101 9.585 -3.755 12.456 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.266 -4.749 14.578 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.283 -5.960 13.311 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.789 -5.640 13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.708 -4.565 14.510 1.00 0.00 H new ATOM 1527 N MET A 102 12.590 -2.426 12.769 1.00 0.00 N ATOM 1528 CA MET A 102 13.303 -1.168 13.084 1.00 0.00 C ATOM 1529 C MET A 102 12.753 0.004 12.248 1.00 0.00 C ATOM 1530 O MET A 102 12.594 1.113 12.766 1.00 0.00 O ATOM 1531 CB MET A 102 14.837 -1.323 12.875 1.00 0.00 C ATOM 1532 CG MET A 102 15.538 -2.164 13.956 1.00 0.00 C ATOM 1533 SD MET A 102 17.346 -2.170 13.810 1.00 0.00 S ATOM 1534 CE MET A 102 17.597 -2.913 12.199 1.00 0.00 C ATOM 0 H MET A 102 13.168 -3.123 12.300 1.00 0.00 H new ATOM 0 HA MET A 102 13.129 -0.944 14.136 1.00 0.00 H new ATOM 0 HB2 MET A 102 15.016 -1.780 11.902 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.291 -0.332 12.850 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.262 -1.781 14.939 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.174 -3.190 13.900 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.663 -3.072 12.034 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.076 -3.869 12.154 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.205 -2.250 11.428 1.00 0.00 H new ATOM 1544 N ILE A 103 12.437 -0.267 10.966 1.00 0.00 N ATOM 1545 CA ILE A 103 11.838 0.733 10.063 1.00 0.00 C ATOM 1546 C ILE A 103 10.393 1.026 10.497 1.00 0.00 C ATOM 1547 O ILE A 103 9.979 2.176 10.571 1.00 0.00 O ATOM 1548 CB ILE A 103 11.886 0.293 8.549 1.00 0.00 C ATOM 1549 CG1 ILE A 103 13.376 0.180 8.068 1.00 0.00 C ATOM 1550 CG2 ILE A 103 11.057 1.242 7.632 1.00 0.00 C ATOM 1551 CD1 ILE A 103 13.578 0.106 6.560 1.00 0.00 C ATOM 0 H ILE A 103 12.589 -1.177 10.531 1.00 0.00 H new ATOM 0 HA ILE A 103 12.435 1.642 10.140 1.00 0.00 H new ATOM 0 HB ILE A 103 11.420 -0.689 8.471 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.928 1.040 8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.818 -0.708 8.520 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.121 0.898 6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.015 1.238 7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.454 2.255 7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.643 0.030 6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.062 -0.770 6.166 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.174 1.005 6.094 1.00 0.00 H new ATOM 1563 N ALA A 104 9.659 -0.035 10.839 1.00 0.00 N ATOM 1564 CA ALA A 104 8.261 0.062 11.287 1.00 0.00 C ATOM 1565 C ALA A 104 8.158 0.792 12.644 1.00 0.00 C ATOM 1566 O ALA A 104 7.110 1.317 12.985 1.00 0.00 O ATOM 1567 CB ALA A 104 7.635 -1.339 11.363 1.00 0.00 C ATOM 0 H ALA A 104 10.015 -0.990 10.814 1.00 0.00 H new ATOM 0 HA ALA A 104 7.705 0.652 10.559 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.600 -1.258 11.695 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.664 -1.804 10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.196 -1.950 12.070 1.00 0.00 H new ATOM 1573 N SER A 105 9.266 0.828 13.403 1.00 0.00 N ATOM 1574 CA SER A 105 9.320 1.505 14.706 1.00 0.00 C ATOM 1575 C SER A 105 9.630 3.004 14.512 1.00 0.00 C ATOM 1576 O SER A 105 9.014 3.861 15.154 1.00 0.00 O ATOM 1577 CB SER A 105 10.381 0.825 15.607 1.00 0.00 C ATOM 1578 OG SER A 105 10.385 1.356 16.923 1.00 0.00 O ATOM 0 H SER A 105 10.146 0.390 13.130 1.00 0.00 H new ATOM 0 HA SER A 105 8.351 1.423 15.198 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.186 -0.247 15.650 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.368 0.952 15.163 1.00 0.00 H new ATOM 0 HG SER A 105 11.067 0.899 17.458 1.00 0.00 H new ATOM 1584 N GLU A 106 10.577 3.312 13.598 1.00 0.00 N ATOM 1585 CA GLU A 106 11.015 4.704 13.329 1.00 0.00 C ATOM 1586 C GLU A 106 9.976 5.474 12.476 1.00 0.00 C ATOM 1587 O GLU A 106 9.939 6.705 12.506 1.00 0.00 O ATOM 1588 CB GLU A 106 12.411 4.728 12.638 1.00 0.00 C ATOM 1589 CG GLU A 106 12.443 4.065 11.253 1.00 0.00 C ATOM 1590 CD GLU A 106 13.808 4.129 10.548 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.141 5.190 9.983 1.00 0.00 O ATOM 1592 OE2 GLU A 106 14.544 3.111 10.533 1.00 0.00 O ATOM 0 H GLU A 106 11.056 2.613 13.031 1.00 0.00 H new ATOM 0 HA GLU A 106 11.098 5.208 14.292 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.737 5.764 12.540 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.132 4.227 13.284 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.151 3.020 11.357 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.697 4.543 10.618 1.00 0.00 H new ATOM 1599 N GLN A 107 9.139 4.738 11.716 1.00 0.00 N ATOM 1600 CA GLN A 107 8.064 5.333 10.885 1.00 0.00 C ATOM 1601 C GLN A 107 6.753 5.445 11.694 1.00 0.00 C ATOM 1602 O GLN A 107 6.026 6.439 11.580 1.00 0.00 O ATOM 1603 CB GLN A 107 7.837 4.506 9.588 1.00 0.00 C ATOM 1604 CG GLN A 107 9.061 4.419 8.636 1.00 0.00 C ATOM 1605 CD GLN A 107 9.466 5.732 7.941 1.00 0.00 C ATOM 1606 OE1 GLN A 107 9.282 6.835 8.459 1.00 0.00 O ATOM 1607 NE2 GLN A 107 10.048 5.617 6.753 1.00 0.00 N ATOM 0 H GLN A 107 9.186 3.721 11.659 1.00 0.00 H new ATOM 0 HA GLN A 107 8.379 6.335 10.594 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.542 3.495 9.868 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.001 4.941 9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.915 4.054 9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.848 3.675 7.869 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.191 4.694 6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.352 6.451 6.251 1.00 0.00 H new ATOM 1616 N GLN A 108 6.456 4.413 12.507 1.00 0.00 N ATOM 1617 CA GLN A 108 5.243 4.370 13.346 1.00 0.00 C ATOM 1618 C GLN A 108 5.618 4.701 14.817 1.00 0.00 C ATOM 1619 O GLN A 108 5.580 5.893 15.190 1.00 0.00 O ATOM 1620 CB GLN A 108 4.549 2.972 13.220 1.00 0.00 C ATOM 1621 CG GLN A 108 4.241 2.532 11.769 1.00 0.00 C ATOM 1622 CD GLN A 108 3.285 3.469 11.021 1.00 0.00 C ATOM 1623 OE1 GLN A 108 2.379 4.065 11.604 1.00 0.00 O ATOM 1624 NE2 GLN A 108 3.498 3.632 9.720 1.00 0.00 N ATOM 1625 OXT GLN A 108 5.973 3.776 15.582 1.00 0.00 O ATOM 0 H GLN A 108 7.048 3.588 12.601 1.00 0.00 H new ATOM 0 HA GLN A 108 4.529 5.119 13.003 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.188 2.221 13.685 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.617 2.992 13.785 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.177 2.466 11.214 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.811 1.531 11.788 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.255 3.127 9.260 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.904 4.262 9.181 1.00 0.00 H new TER 1634 GLN A 108