USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 907 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 69 THR OG1 : rot -59:sc= 0.932 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0.042 USER MOD Set 2.1: A 19 SER OG : rot 94:sc= -0.904 USER MOD Set 2.2: A 40 MET CE :methyl -125:sc= -4.53 (180deg=-4.32!) USER MOD Single : A 1 SER N :NH3+ -148:sc= 0.00547 (180deg=-0.0521) USER MOD Single : A 1 SER OG : rot 180:sc= -0.149 USER MOD Single : A 4 THR OG1 : rot -57:sc= 0.596 USER MOD Single : A 5 SER OG : rot 93:sc= 1.08 USER MOD Single : A 10 MET CE :methyl -133:sc= -0.0871 (180deg=-0.487) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -0.38 F(o=-1,f=-0.38) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.288 USER MOD Single : A 25 SER OG : rot 170:sc= 0.47 USER MOD Single : A 26 THR OG1 : rot -20:sc= 1.32 USER MOD Single : A 28 THR OG1 : rot -107:sc= 0.843 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= 0.384 (180deg=0.0487) USER MOD Single : A 47 GLN : amide:sc= -0.0026 X(o=-0.0026,f=-0.13) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 160:sc= -0.492 (180deg=-0.855) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -6.45! C(o=-6.5!,f=-6.4!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 90 GLN : amide:sc= -2.45! C(o=-2.4!,f=-6.5!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -93:sc= 0.22 USER MOD Single : A 104 ASN : amide:sc= -2.94! C(o=-2.9!,f=-4.8!) USER MOD Single : A 107 THR OG1 : rot -155:sc= 0.337 USER MOD Single : A 109 HIS :FLIP no HE2:sc= 0.0659 F(o=-0.65,f=0.066) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -26.319 -3.092 -1.109 1.00 0.00 N ATOM 2 CA SER A 1 -27.341 -3.865 -0.349 1.00 0.00 C ATOM 3 C SER A 1 -26.655 -4.653 0.768 1.00 0.00 C ATOM 4 O SER A 1 -27.133 -4.693 1.890 1.00 0.00 O ATOM 5 CB SER A 1 -28.053 -4.837 -1.291 1.00 0.00 C ATOM 6 OG SER A 1 -27.099 -5.725 -1.858 1.00 0.00 O ATOM 0 H1 SER A 1 -26.741 -2.208 -1.458 1.00 0.00 H new ATOM 0 H2 SER A 1 -25.517 -2.871 -0.485 1.00 0.00 H new ATOM 0 H3 SER A 1 -25.985 -3.657 -1.915 1.00 0.00 H new ATOM 0 HA SER A 1 -28.069 -3.177 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 1 -28.812 -5.399 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 1 -28.568 -4.287 -2.079 1.00 0.00 H new ATOM 0 HG SER A 1 -27.552 -6.351 -2.461 1.00 0.00 H new ATOM 14 N VAL A 2 -25.538 -5.278 0.458 1.00 0.00 N ATOM 15 CA VAL A 2 -24.790 -6.080 1.478 1.00 0.00 C ATOM 16 C VAL A 2 -23.369 -5.491 1.655 1.00 0.00 C ATOM 17 O VAL A 2 -23.233 -4.398 2.180 1.00 0.00 O ATOM 18 CB VAL A 2 -24.752 -7.562 1.049 1.00 0.00 C ATOM 19 CG1 VAL A 2 -26.103 -8.211 1.354 1.00 0.00 C ATOM 20 CG2 VAL A 2 -24.465 -7.677 -0.457 1.00 0.00 C ATOM 0 H VAL A 2 -25.111 -5.264 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 2 -25.296 -6.029 2.442 1.00 0.00 H new ATOM 0 HB VAL A 2 -23.960 -8.068 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -26.080 -9.258 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -26.305 -8.146 2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -26.888 -7.692 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -24.441 -8.728 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -25.248 -7.166 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -23.502 -7.219 -0.680 1.00 0.00 H new ATOM 30 N GLY A 3 -22.317 -6.188 1.232 1.00 0.00 N ATOM 31 CA GLY A 3 -20.927 -5.650 1.390 1.00 0.00 C ATOM 32 C GLY A 3 -20.318 -6.196 2.683 1.00 0.00 C ATOM 33 O GLY A 3 -19.650 -7.215 2.673 1.00 0.00 O ATOM 0 H GLY A 3 -22.374 -7.104 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -20.314 -5.938 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -20.947 -4.560 1.416 1.00 0.00 H new ATOM 37 N THR A 4 -20.553 -5.513 3.789 1.00 0.00 N ATOM 38 CA THR A 4 -20.018 -5.941 5.134 1.00 0.00 C ATOM 39 C THR A 4 -18.557 -6.441 5.029 1.00 0.00 C ATOM 40 O THR A 4 -18.196 -7.476 5.573 1.00 0.00 O ATOM 41 CB THR A 4 -20.930 -7.038 5.720 1.00 0.00 C ATOM 42 OG1 THR A 4 -20.464 -7.394 7.014 1.00 0.00 O ATOM 43 CG2 THR A 4 -20.916 -8.275 4.821 1.00 0.00 C ATOM 0 H THR A 4 -21.106 -4.657 3.816 1.00 0.00 H new ATOM 0 HA THR A 4 -20.016 -5.078 5.800 1.00 0.00 H new ATOM 0 HB THR A 4 -21.949 -6.656 5.783 1.00 0.00 H new ATOM 0 HG1 THR A 4 -19.532 -7.693 6.956 1.00 0.00 H new ATOM 0 HG21 THR A 4 -21.564 -9.041 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 4 -21.275 -8.007 3.827 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.899 -8.660 4.747 1.00 0.00 H new ATOM 51 N SER A 5 -17.720 -5.694 4.333 1.00 0.00 N ATOM 52 CA SER A 5 -16.280 -6.084 4.177 1.00 0.00 C ATOM 53 C SER A 5 -15.383 -4.971 4.741 1.00 0.00 C ATOM 54 O SER A 5 -15.831 -4.151 5.526 1.00 0.00 O ATOM 55 CB SER A 5 -15.974 -6.319 2.689 1.00 0.00 C ATOM 56 OG SER A 5 -15.936 -5.074 1.997 1.00 0.00 O ATOM 0 H SER A 5 -17.979 -4.826 3.865 1.00 0.00 H new ATOM 0 HA SER A 5 -16.084 -7.004 4.727 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.019 -6.833 2.582 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.734 -6.965 2.250 1.00 0.00 H new ATOM 0 HG SER A 5 -15.014 -4.742 1.971 1.00 0.00 H new ATOM 62 N CYS A 6 -14.128 -4.943 4.339 1.00 0.00 N ATOM 63 CA CYS A 6 -13.176 -3.892 4.830 1.00 0.00 C ATOM 64 C CYS A 6 -13.029 -4.008 6.350 1.00 0.00 C ATOM 65 O CYS A 6 -13.322 -5.045 6.916 1.00 0.00 O ATOM 66 CB CYS A 6 -13.707 -2.504 4.440 1.00 0.00 C ATOM 67 SG CYS A 6 -13.943 -2.383 2.637 1.00 0.00 S ATOM 0 H CYS A 6 -13.721 -5.612 3.685 1.00 0.00 H new ATOM 0 HA CYS A 6 -12.196 -4.033 4.374 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -14.653 -2.316 4.948 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -13.008 -1.736 4.772 1.00 0.00 H new ATOM 72 N ILE A 7 -12.554 -2.960 7.003 1.00 0.00 N ATOM 73 CA ILE A 7 -12.350 -2.987 8.495 1.00 0.00 C ATOM 74 C ILE A 7 -11.142 -3.896 8.791 1.00 0.00 C ATOM 75 O ILE A 7 -11.001 -4.917 8.139 1.00 0.00 O ATOM 76 CB ILE A 7 -13.612 -3.522 9.202 1.00 0.00 C ATOM 77 CG1 ILE A 7 -14.844 -2.783 8.666 1.00 0.00 C ATOM 78 CG2 ILE A 7 -13.506 -3.292 10.709 1.00 0.00 C ATOM 79 CD1 ILE A 7 -16.116 -3.403 9.251 1.00 0.00 C ATOM 0 H ILE A 7 -12.297 -2.079 6.558 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.164 -1.980 8.868 1.00 0.00 H new ATOM 0 HB ILE A 7 -13.704 -4.591 9.008 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -14.789 -1.727 8.929 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -14.868 -2.839 7.578 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -14.402 -3.673 11.199 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.631 -3.814 11.096 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -13.410 -2.225 10.908 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -16.988 -2.874 8.867 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -16.173 -4.453 8.965 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.093 -3.323 10.338 1.00 0.00 H new ATOM 91 N PRO A 8 -10.283 -3.513 9.739 1.00 0.00 N ATOM 92 CA PRO A 8 -9.082 -4.313 10.067 1.00 0.00 C ATOM 93 C PRO A 8 -9.461 -5.602 10.801 1.00 0.00 C ATOM 94 O PRO A 8 -10.580 -5.756 11.260 1.00 0.00 O ATOM 95 CB PRO A 8 -8.240 -3.384 10.946 1.00 0.00 C ATOM 96 CG PRO A 8 -9.210 -2.331 11.522 1.00 0.00 C ATOM 97 CD PRO A 8 -10.420 -2.284 10.572 1.00 0.00 C ATOM 0 HA PRO A 8 -8.539 -4.639 9.180 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.753 -3.942 11.746 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.451 -2.908 10.364 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.520 -2.601 12.532 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.729 -1.355 11.586 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.360 -2.281 11.125 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.408 -1.384 9.958 1.00 0.00 H new ATOM 105 N GLY A 9 -8.528 -6.528 10.892 1.00 0.00 N ATOM 106 CA GLY A 9 -8.791 -7.837 11.569 1.00 0.00 C ATOM 107 C GLY A 9 -9.893 -8.608 10.817 1.00 0.00 C ATOM 108 O GLY A 9 -10.466 -9.543 11.350 1.00 0.00 O ATOM 0 H GLY A 9 -7.584 -6.426 10.519 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.877 -8.430 11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.095 -7.667 12.602 1.00 0.00 H new ATOM 112 N MET A 10 -10.185 -8.219 9.584 1.00 0.00 N ATOM 113 CA MET A 10 -11.241 -8.912 8.774 1.00 0.00 C ATOM 114 C MET A 10 -10.762 -9.013 7.297 1.00 0.00 C ATOM 115 O MET A 10 -11.087 -8.156 6.491 1.00 0.00 O ATOM 116 CB MET A 10 -12.542 -8.098 8.851 1.00 0.00 C ATOM 117 CG MET A 10 -13.250 -8.390 10.176 1.00 0.00 C ATOM 118 SD MET A 10 -14.497 -9.677 9.924 1.00 0.00 S ATOM 119 CE MET A 10 -15.720 -8.649 9.073 1.00 0.00 C ATOM 0 H MET A 10 -9.728 -7.442 9.107 1.00 0.00 H new ATOM 0 HA MET A 10 -11.419 -9.915 9.163 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.322 -7.033 8.771 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.193 -8.353 8.015 1.00 0.00 H new ATOM 0 HG2 MET A 10 -12.526 -8.712 10.924 1.00 0.00 H new ATOM 0 HG3 MET A 10 -13.720 -7.483 10.557 1.00 0.00 H new ATOM 0 HE1 MET A 10 -16.705 -8.822 9.506 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.453 -7.598 9.185 1.00 0.00 H new ATOM 0 HE3 MET A 10 -15.739 -8.907 8.014 1.00 0.00 H new ATOM 129 N ALA A 11 -9.970 -10.038 6.946 1.00 0.00 N ATOM 130 CA ALA A 11 -9.429 -10.210 5.540 1.00 0.00 C ATOM 131 C ALA A 11 -8.122 -9.415 5.411 1.00 0.00 C ATOM 132 O ALA A 11 -7.082 -9.975 5.116 1.00 0.00 O ATOM 133 CB ALA A 11 -10.433 -9.746 4.470 1.00 0.00 C ATOM 0 H ALA A 11 -9.677 -10.769 7.594 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.249 -11.272 5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.001 -9.889 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.350 -10.330 4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.661 -8.690 4.618 1.00 0.00 H new ATOM 139 N ILE A 12 -8.177 -8.124 5.661 1.00 0.00 N ATOM 140 CA ILE A 12 -6.963 -7.248 5.602 1.00 0.00 C ATOM 141 C ILE A 12 -6.358 -7.198 7.021 1.00 0.00 C ATOM 142 O ILE A 12 -6.954 -6.570 7.882 1.00 0.00 O ATOM 143 CB ILE A 12 -7.357 -5.832 5.166 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.050 -5.897 3.805 1.00 0.00 C ATOM 145 CG2 ILE A 12 -6.103 -4.960 5.049 1.00 0.00 C ATOM 146 CD1 ILE A 12 -8.799 -4.588 3.534 1.00 0.00 C ATOM 0 H ILE A 12 -9.035 -7.632 5.909 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.244 -7.643 4.884 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.032 -5.402 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.314 -6.073 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.746 -6.735 3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.387 -3.954 4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.601 -4.914 6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.428 -5.391 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.289 -4.644 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.548 -4.430 4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.093 -3.758 3.537 1.00 0.00 H new ATOM 158 N PRO A 13 -5.255 -7.904 7.277 1.00 0.00 N ATOM 159 CA PRO A 13 -4.683 -7.965 8.633 1.00 0.00 C ATOM 160 C PRO A 13 -3.964 -6.671 8.999 1.00 0.00 C ATOM 161 O PRO A 13 -3.753 -5.804 8.168 1.00 0.00 O ATOM 162 CB PRO A 13 -3.732 -9.159 8.592 1.00 0.00 C ATOM 163 CG PRO A 13 -3.394 -9.405 7.104 1.00 0.00 C ATOM 164 CD PRO A 13 -4.452 -8.653 6.272 1.00 0.00 C ATOM 0 HA PRO A 13 -5.448 -8.082 9.400 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.828 -8.954 9.166 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.197 -10.040 9.034 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.392 -9.044 6.871 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.410 -10.471 6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.986 -7.978 5.554 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.074 -9.344 5.703 1.00 0.00 H new ATOM 172 N HIS A 14 -3.610 -6.550 10.255 1.00 0.00 N ATOM 173 CA HIS A 14 -2.921 -5.343 10.760 1.00 0.00 C ATOM 174 C HIS A 14 -1.491 -5.296 10.172 1.00 0.00 C ATOM 175 O HIS A 14 -0.870 -6.330 9.988 1.00 0.00 O ATOM 176 CB HIS A 14 -2.868 -5.449 12.292 1.00 0.00 C ATOM 177 CG HIS A 14 -4.262 -5.612 12.868 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.131 -6.677 12.885 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -4.909 -4.598 13.571 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -6.288 -6.339 13.578 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -6.107 -5.079 13.973 1.00 0.00 N flip ATOM 0 H HIS A 14 -3.779 -7.264 10.964 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.445 -4.434 10.467 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.248 -6.298 12.581 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.400 -4.556 12.707 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.953 -7.583 12.452 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.523 -3.607 13.761 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.150 -6.964 13.758 1.00 0.00 H new ATOM 189 N ASN A 15 -0.968 -4.112 9.870 1.00 0.00 N ATOM 190 CA ASN A 15 0.415 -3.986 9.287 1.00 0.00 C ATOM 191 C ASN A 15 0.462 -4.620 7.866 1.00 0.00 C ATOM 192 O ASN A 15 1.272 -5.499 7.609 1.00 0.00 O ATOM 193 CB ASN A 15 1.424 -4.676 10.225 1.00 0.00 C ATOM 194 CG ASN A 15 2.771 -3.947 10.178 1.00 0.00 C ATOM 195 OD1 ASN A 15 3.193 -3.483 9.135 1.00 0.00 O ATOM 196 ND2 ASN A 15 3.473 -3.831 11.273 1.00 0.00 N ATOM 0 H ASN A 15 -1.451 -3.224 10.007 1.00 0.00 H new ATOM 0 HA ASN A 15 0.677 -2.932 9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.040 -4.681 11.245 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.555 -5.717 9.929 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.373 -3.352 11.253 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.121 -4.219 12.148 1.00 0.00 H new ATOM 203 N PRO A 16 -0.410 -4.158 6.966 1.00 0.00 N ATOM 204 CA PRO A 16 -0.466 -4.677 5.577 1.00 0.00 C ATOM 205 C PRO A 16 0.619 -4.052 4.687 1.00 0.00 C ATOM 206 O PRO A 16 1.225 -3.052 5.028 1.00 0.00 O ATOM 207 CB PRO A 16 -1.841 -4.229 5.078 1.00 0.00 C ATOM 208 CG PRO A 16 -2.240 -3.010 5.940 1.00 0.00 C ATOM 209 CD PRO A 16 -1.422 -3.100 7.237 1.00 0.00 C ATOM 0 HA PRO A 16 -0.307 -5.755 5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.803 -3.962 4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.571 -5.032 5.178 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.030 -2.079 5.414 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.309 -3.021 6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.947 -2.148 7.474 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.052 -3.362 8.087 1.00 0.00 H new ATOM 217 N LEU A 17 0.821 -4.639 3.525 1.00 0.00 N ATOM 218 CA LEU A 17 1.815 -4.125 2.520 1.00 0.00 C ATOM 219 C LEU A 17 3.146 -3.699 3.180 1.00 0.00 C ATOM 220 O LEU A 17 3.720 -2.671 2.839 1.00 0.00 O ATOM 221 CB LEU A 17 1.182 -2.942 1.775 1.00 0.00 C ATOM 222 CG LEU A 17 0.195 -3.474 0.733 1.00 0.00 C ATOM 223 CD1 LEU A 17 -1.174 -3.683 1.381 1.00 0.00 C ATOM 224 CD2 LEU A 17 0.069 -2.466 -0.411 1.00 0.00 C ATOM 0 H LEU A 17 0.323 -5.477 3.224 1.00 0.00 H new ATOM 0 HA LEU A 17 2.057 -4.929 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.669 -2.286 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.955 -2.346 1.290 1.00 0.00 H new ATOM 0 HG LEU A 17 0.559 -4.425 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.875 -4.062 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.085 -4.402 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.539 -2.734 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.634 -2.844 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.293 -1.515 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.044 -2.319 -0.876 1.00 0.00 H new ATOM 236 N ASP A 18 3.651 -4.498 4.097 1.00 0.00 N ATOM 237 CA ASP A 18 4.958 -4.169 4.762 1.00 0.00 C ATOM 238 C ASP A 18 6.081 -4.316 3.731 1.00 0.00 C ATOM 239 O ASP A 18 7.026 -3.525 3.683 1.00 0.00 O ATOM 240 CB ASP A 18 5.198 -5.126 5.937 1.00 0.00 C ATOM 241 CG ASP A 18 5.061 -6.572 5.455 1.00 0.00 C ATOM 242 OD1 ASP A 18 6.019 -7.084 4.901 1.00 0.00 O ATOM 243 OD2 ASP A 18 4.000 -7.142 5.649 1.00 0.00 O ATOM 0 H ASP A 18 3.214 -5.364 4.413 1.00 0.00 H new ATOM 0 HA ASP A 18 4.936 -3.148 5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.192 -4.964 6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.481 -4.928 6.734 1.00 0.00 H new ATOM 248 N SER A 19 5.948 -5.312 2.886 1.00 0.00 N ATOM 249 CA SER A 19 6.951 -5.558 1.809 1.00 0.00 C ATOM 250 C SER A 19 6.962 -4.358 0.865 1.00 0.00 C ATOM 251 O SER A 19 7.954 -4.089 0.211 1.00 0.00 O ATOM 252 CB SER A 19 6.569 -6.816 1.028 1.00 0.00 C ATOM 253 OG SER A 19 7.750 -7.442 0.544 1.00 0.00 O ATOM 0 H SER A 19 5.172 -5.974 2.901 1.00 0.00 H new ATOM 0 HA SER A 19 7.939 -5.696 2.249 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.016 -7.502 1.669 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.913 -6.557 0.197 1.00 0.00 H new ATOM 0 HG SER A 19 8.041 -8.128 1.180 1.00 0.00 H new ATOM 259 N CYS A 20 5.855 -3.649 0.789 1.00 0.00 N ATOM 260 CA CYS A 20 5.759 -2.465 -0.107 1.00 0.00 C ATOM 261 C CYS A 20 6.538 -1.301 0.503 1.00 0.00 C ATOM 262 O CYS A 20 7.201 -0.556 -0.205 1.00 0.00 O ATOM 263 CB CYS A 20 4.288 -2.091 -0.283 1.00 0.00 C ATOM 264 SG CYS A 20 3.358 -3.542 -0.859 1.00 0.00 S ATOM 0 H CYS A 20 5.008 -3.850 1.320 1.00 0.00 H new ATOM 0 HA CYS A 20 6.186 -2.697 -1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.877 -1.734 0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.192 -1.276 -1.001 1.00 0.00 H new ATOM 269 N ARG A 21 6.466 -1.150 1.812 1.00 0.00 N ATOM 270 CA ARG A 21 7.202 -0.044 2.491 1.00 0.00 C ATOM 271 C ARG A 21 8.726 -0.266 2.302 1.00 0.00 C ATOM 272 O ARG A 21 9.452 0.656 1.909 1.00 0.00 O ATOM 273 CB ARG A 21 6.773 0.024 3.993 1.00 0.00 C ATOM 274 CG ARG A 21 7.935 0.460 4.908 1.00 0.00 C ATOM 275 CD ARG A 21 7.489 0.426 6.369 1.00 0.00 C ATOM 276 NE ARG A 21 8.609 -0.092 7.204 1.00 0.00 N ATOM 277 CZ ARG A 21 8.437 -0.304 8.479 1.00 0.00 C ATOM 278 NH1 ARG A 21 8.645 0.660 9.333 1.00 0.00 N ATOM 279 NH2 ARG A 21 8.064 -1.481 8.899 1.00 0.00 N ATOM 0 H ARG A 21 5.925 -1.751 2.434 1.00 0.00 H new ATOM 0 HA ARG A 21 6.956 0.922 2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.944 0.724 4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.409 -0.953 4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.790 -0.201 4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.261 1.465 4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.203 1.425 6.699 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.611 -0.210 6.480 1.00 0.00 H new ATOM 0 HE ARG A 21 9.515 -0.282 6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.942 1.578 9.003 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.511 0.495 10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.907 -2.235 8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.929 -1.648 9.896 1.00 0.00 H new ATOM 293 N TRP A 22 9.216 -1.474 2.564 1.00 0.00 N ATOM 294 CA TRP A 22 10.687 -1.724 2.392 1.00 0.00 C ATOM 295 C TRP A 22 11.049 -1.684 0.908 1.00 0.00 C ATOM 296 O TRP A 22 12.166 -1.332 0.542 1.00 0.00 O ATOM 297 CB TRP A 22 11.123 -3.068 2.983 1.00 0.00 C ATOM 298 CG TRP A 22 11.302 -2.912 4.445 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.650 -3.588 5.396 1.00 0.00 C ATOM 300 CD2 TRP A 22 12.205 -2.023 5.115 1.00 0.00 C ATOM 301 NE1 TRP A 22 11.102 -3.160 6.637 1.00 0.00 N ATOM 302 CE2 TRP A 22 12.072 -2.184 6.507 1.00 0.00 C ATOM 303 CE3 TRP A 22 13.115 -1.100 4.627 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.838 -1.435 7.401 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.897 -0.335 5.509 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.758 -0.504 6.899 1.00 0.00 C ATOM 0 H TRP A 22 8.668 -2.274 2.882 1.00 0.00 H new ATOM 0 HA TRP A 22 11.213 -0.937 2.933 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.375 -3.833 2.774 1.00 0.00 H new ATOM 0 HB3 TRP A 22 12.054 -3.399 2.522 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.896 -4.343 5.227 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.762 -3.519 7.529 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.224 -0.967 3.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.724 -1.571 8.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.604 0.382 5.120 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.359 0.083 7.578 1.00 0.00 H new ATOM 317 N TYR A 23 10.108 -2.038 0.055 1.00 0.00 N ATOM 318 CA TYR A 23 10.372 -2.027 -1.411 1.00 0.00 C ATOM 319 C TYR A 23 10.584 -0.587 -1.869 1.00 0.00 C ATOM 320 O TYR A 23 11.391 -0.345 -2.748 1.00 0.00 O ATOM 321 CB TYR A 23 9.213 -2.676 -2.171 1.00 0.00 C ATOM 322 CG TYR A 23 9.570 -2.774 -3.635 1.00 0.00 C ATOM 323 CD1 TYR A 23 10.627 -3.599 -4.040 1.00 0.00 C ATOM 324 CD2 TYR A 23 8.851 -2.042 -4.584 1.00 0.00 C ATOM 325 CE1 TYR A 23 10.964 -3.692 -5.394 1.00 0.00 C ATOM 326 CE2 TYR A 23 9.188 -2.134 -5.939 1.00 0.00 C ATOM 327 CZ TYR A 23 10.245 -2.959 -6.344 1.00 0.00 C ATOM 328 OH TYR A 23 10.575 -3.050 -7.681 1.00 0.00 O ATOM 0 H TYR A 23 9.169 -2.334 0.321 1.00 0.00 H new ATOM 0 HA TYR A 23 11.271 -2.606 -1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.008 -3.668 -1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.305 -2.087 -2.045 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.182 -4.164 -3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.036 -1.406 -4.272 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.778 -4.329 -5.706 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.633 -1.569 -6.673 1.00 0.00 H new ATOM 0 HH TYR A 23 10.945 -3.938 -7.867 1.00 0.00 H new ATOM 338 N VAL A 24 9.903 0.377 -1.258 1.00 0.00 N ATOM 339 CA VAL A 24 10.134 1.804 -1.653 1.00 0.00 C ATOM 340 C VAL A 24 11.498 2.201 -1.114 1.00 0.00 C ATOM 341 O VAL A 24 12.228 2.914 -1.766 1.00 0.00 O ATOM 342 CB VAL A 24 9.086 2.757 -1.069 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.424 4.201 -1.488 1.00 0.00 C ATOM 344 CG2 VAL A 24 7.699 2.384 -1.592 1.00 0.00 C ATOM 0 H VAL A 24 9.214 0.232 -0.520 1.00 0.00 H new ATOM 0 HA VAL A 24 10.069 1.879 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 24 9.090 2.679 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.681 4.883 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.411 4.468 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.419 4.275 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.957 3.065 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.688 2.459 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.461 1.362 -1.296 1.00 0.00 H new ATOM 354 N SER A 25 11.839 1.752 0.080 1.00 0.00 N ATOM 355 CA SER A 25 13.174 2.113 0.663 1.00 0.00 C ATOM 356 C SER A 25 14.292 1.686 -0.307 1.00 0.00 C ATOM 357 O SER A 25 15.300 2.362 -0.442 1.00 0.00 O ATOM 358 CB SER A 25 13.380 1.401 2.000 1.00 0.00 C ATOM 359 OG SER A 25 12.147 1.346 2.708 1.00 0.00 O ATOM 0 H SER A 25 11.254 1.157 0.668 1.00 0.00 H new ATOM 0 HA SER A 25 13.206 3.191 0.820 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.759 0.393 1.832 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.128 1.928 2.593 1.00 0.00 H new ATOM 0 HG SER A 25 12.242 0.755 3.484 1.00 0.00 H new ATOM 365 N THR A 26 14.109 0.552 -0.962 1.00 0.00 N ATOM 366 CA THR A 26 15.147 0.018 -1.917 1.00 0.00 C ATOM 367 C THR A 26 15.123 0.751 -3.275 1.00 0.00 C ATOM 368 O THR A 26 16.157 1.160 -3.768 1.00 0.00 O ATOM 369 CB THR A 26 14.895 -1.484 -2.130 1.00 0.00 C ATOM 370 OG1 THR A 26 14.934 -2.147 -0.875 1.00 0.00 O ATOM 371 CG2 THR A 26 15.966 -2.080 -3.053 1.00 0.00 C ATOM 0 H THR A 26 13.276 -0.030 -0.874 1.00 0.00 H new ATOM 0 HA THR A 26 16.131 0.186 -1.480 1.00 0.00 H new ATOM 0 HB THR A 26 13.917 -1.617 -2.593 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.412 -1.590 -0.225 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.774 -3.144 -3.194 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.936 -1.575 -4.018 1.00 0.00 H new ATOM 0 HG23 THR A 26 16.950 -1.946 -2.603 1.00 0.00 H new ATOM 379 N ARG A 27 13.968 0.888 -3.888 1.00 0.00 N ATOM 380 CA ARG A 27 13.875 1.566 -5.229 1.00 0.00 C ATOM 381 C ARG A 27 14.265 3.042 -5.113 1.00 0.00 C ATOM 382 O ARG A 27 14.650 3.664 -6.090 1.00 0.00 O ATOM 383 CB ARG A 27 12.436 1.488 -5.750 1.00 0.00 C ATOM 384 CG ARG A 27 12.230 0.193 -6.540 1.00 0.00 C ATOM 385 CD ARG A 27 13.115 0.194 -7.792 1.00 0.00 C ATOM 386 NE ARG A 27 12.256 0.285 -9.007 1.00 0.00 N ATOM 387 CZ ARG A 27 12.275 1.364 -9.741 1.00 0.00 C ATOM 388 NH1 ARG A 27 11.740 2.467 -9.295 1.00 0.00 N ATOM 389 NH2 ARG A 27 12.831 1.339 -10.923 1.00 0.00 N ATOM 0 H ARG A 27 13.078 0.557 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 27 14.556 1.060 -5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.736 1.529 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.224 2.348 -6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.472 -0.666 -5.915 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.183 0.094 -6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.808 1.035 -7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.717 -0.714 -7.826 1.00 0.00 H new ATOM 0 HE ARG A 27 11.653 -0.496 -9.265 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.306 2.487 -8.372 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.755 3.310 -9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.250 0.477 -11.271 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.846 2.182 -11.497 1.00 0.00 H new ATOM 403 N THR A 28 14.111 3.608 -3.939 1.00 0.00 N ATOM 404 CA THR A 28 14.402 5.057 -3.734 1.00 0.00 C ATOM 405 C THR A 28 15.844 5.291 -3.236 1.00 0.00 C ATOM 406 O THR A 28 16.620 5.946 -3.912 1.00 0.00 O ATOM 407 CB THR A 28 13.372 5.621 -2.735 1.00 0.00 C ATOM 408 OG1 THR A 28 13.527 4.999 -1.468 1.00 0.00 O ATOM 409 CG2 THR A 28 11.961 5.348 -3.261 1.00 0.00 C ATOM 0 H THR A 28 13.791 3.117 -3.104 1.00 0.00 H new ATOM 0 HA THR A 28 14.320 5.577 -4.689 1.00 0.00 H new ATOM 0 HB THR A 28 13.530 6.694 -2.626 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.782 4.382 -1.313 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.228 5.745 -2.559 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.834 5.831 -4.230 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.815 4.273 -3.370 1.00 0.00 H new ATOM 417 N CYS A 29 16.202 4.794 -2.063 1.00 0.00 N ATOM 418 CA CYS A 29 17.587 5.024 -1.522 1.00 0.00 C ATOM 419 C CYS A 29 18.488 3.803 -1.739 1.00 0.00 C ATOM 420 O CYS A 29 19.580 3.740 -1.195 1.00 0.00 O ATOM 421 CB CYS A 29 17.521 5.307 -0.020 1.00 0.00 C ATOM 422 SG CYS A 29 16.084 6.333 0.377 1.00 0.00 S ATOM 0 H CYS A 29 15.593 4.240 -1.461 1.00 0.00 H new ATOM 0 HA CYS A 29 18.006 5.876 -2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.466 4.367 0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.433 5.811 0.300 1.00 0.00 H new ATOM 427 N GLY A 30 18.037 2.830 -2.498 1.00 0.00 N ATOM 428 CA GLY A 30 18.859 1.588 -2.726 1.00 0.00 C ATOM 429 C GLY A 30 19.174 0.935 -1.370 1.00 0.00 C ATOM 430 O GLY A 30 20.205 0.304 -1.206 1.00 0.00 O ATOM 0 H GLY A 30 17.134 2.839 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.316 0.889 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.784 1.839 -3.246 1.00 0.00 H new ATOM 434 N VAL A 31 18.292 1.104 -0.402 1.00 0.00 N ATOM 435 CA VAL A 31 18.510 0.523 0.965 1.00 0.00 C ATOM 436 C VAL A 31 17.360 -0.432 1.311 1.00 0.00 C ATOM 437 O VAL A 31 16.324 -0.416 0.666 1.00 0.00 O ATOM 438 CB VAL A 31 18.558 1.662 1.987 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.913 1.107 3.368 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.619 2.681 1.560 1.00 0.00 C ATOM 0 H VAL A 31 17.422 1.626 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 31 19.449 -0.030 0.984 1.00 0.00 H new ATOM 0 HB VAL A 31 17.582 2.144 2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.946 1.922 4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.159 0.381 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.888 0.621 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.656 3.494 2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.593 2.194 1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.364 3.082 0.579 1.00 0.00 H new ATOM 450 N GLY A 32 17.543 -1.268 2.318 1.00 0.00 N ATOM 451 CA GLY A 32 16.475 -2.243 2.715 1.00 0.00 C ATOM 452 C GLY A 32 17.124 -3.627 2.981 1.00 0.00 C ATOM 453 O GLY A 32 18.324 -3.756 2.792 1.00 0.00 O ATOM 0 H GLY A 32 18.392 -1.313 2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.959 -1.892 3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.727 -2.324 1.926 1.00 0.00 H new ATOM 457 N PRO A 33 16.349 -4.647 3.398 1.00 0.00 N ATOM 458 CA PRO A 33 16.927 -5.996 3.649 1.00 0.00 C ATOM 459 C PRO A 33 17.464 -6.593 2.334 1.00 0.00 C ATOM 460 O PRO A 33 17.366 -5.962 1.293 1.00 0.00 O ATOM 461 CB PRO A 33 15.757 -6.792 4.262 1.00 0.00 C ATOM 462 CG PRO A 33 14.472 -6.059 3.851 1.00 0.00 C ATOM 463 CD PRO A 33 14.870 -4.589 3.642 1.00 0.00 C ATOM 0 HA PRO A 33 17.786 -5.999 4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.752 -7.819 3.897 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.846 -6.840 5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.056 -6.484 2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.707 -6.150 4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.342 -4.149 2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.633 -3.983 4.516 1.00 0.00 H new ATOM 471 N ARG A 34 18.066 -7.774 2.376 1.00 0.00 N ATOM 472 CA ARG A 34 18.653 -8.378 1.140 1.00 0.00 C ATOM 473 C ARG A 34 17.630 -9.284 0.451 1.00 0.00 C ATOM 474 O ARG A 34 17.579 -10.488 0.662 1.00 0.00 O ATOM 475 CB ARG A 34 19.904 -9.189 1.513 1.00 0.00 C ATOM 476 CG ARG A 34 21.018 -8.934 0.484 1.00 0.00 C ATOM 477 CD ARG A 34 22.163 -8.162 1.142 1.00 0.00 C ATOM 478 NE ARG A 34 22.754 -8.989 2.231 1.00 0.00 N ATOM 479 CZ ARG A 34 24.030 -9.256 2.227 1.00 0.00 C ATOM 480 NH1 ARG A 34 24.488 -10.245 1.508 1.00 0.00 N ATOM 481 NH2 ARG A 34 24.849 -8.536 2.944 1.00 0.00 N ATOM 0 H ARG A 34 18.171 -8.338 3.220 1.00 0.00 H new ATOM 0 HA ARG A 34 18.928 -7.580 0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 34 20.246 -8.909 2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 34 19.663 -10.252 1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.385 -9.881 0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 34 20.624 -8.369 -0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 34 22.925 -7.918 0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 34 21.796 -7.218 1.545 1.00 0.00 H new ATOM 0 HE ARG A 34 22.160 -9.346 2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 34 23.847 -10.809 0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 34 25.486 -10.454 1.505 1.00 0.00 H new ATOM 0 HH21 ARG A 34 24.491 -7.765 3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 34 25.847 -8.745 2.941 1.00 0.00 H new ATOM 495 N LEU A 35 16.830 -8.682 -0.393 1.00 0.00 N ATOM 496 CA LEU A 35 15.794 -9.424 -1.169 1.00 0.00 C ATOM 497 C LEU A 35 15.735 -8.821 -2.571 1.00 0.00 C ATOM 498 O LEU A 35 15.599 -7.617 -2.721 1.00 0.00 O ATOM 499 CB LEU A 35 14.432 -9.280 -0.486 1.00 0.00 C ATOM 500 CG LEU A 35 14.155 -10.523 0.360 1.00 0.00 C ATOM 501 CD1 LEU A 35 12.965 -10.257 1.282 1.00 0.00 C ATOM 502 CD2 LEU A 35 13.834 -11.701 -0.563 1.00 0.00 C ATOM 0 H LEU A 35 16.854 -7.680 -0.580 1.00 0.00 H new ATOM 0 HA LEU A 35 16.046 -10.483 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.420 -8.389 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.649 -9.154 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 35 15.033 -10.759 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.767 -11.143 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.193 -9.416 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.085 -10.022 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.636 -12.589 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.955 -11.464 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.682 -11.889 -1.221 1.00 0.00 H new ATOM 514 N ALA A 36 15.852 -9.643 -3.597 1.00 0.00 N ATOM 515 CA ALA A 36 15.822 -9.127 -5.009 1.00 0.00 C ATOM 516 C ALA A 36 14.588 -8.228 -5.210 1.00 0.00 C ATOM 517 O ALA A 36 13.589 -8.395 -4.530 1.00 0.00 O ATOM 518 CB ALA A 36 15.765 -10.307 -5.984 1.00 0.00 C ATOM 0 H ALA A 36 15.967 -10.653 -3.514 1.00 0.00 H new ATOM 0 HA ALA A 36 16.723 -8.544 -5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.743 -9.933 -7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.645 -10.936 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.866 -10.894 -5.793 1.00 0.00 H new ATOM 524 N THR A 37 14.658 -7.275 -6.123 1.00 0.00 N ATOM 525 CA THR A 37 13.505 -6.349 -6.365 1.00 0.00 C ATOM 526 C THR A 37 12.267 -7.133 -6.793 1.00 0.00 C ATOM 527 O THR A 37 11.248 -7.056 -6.149 1.00 0.00 O ATOM 528 CB THR A 37 13.865 -5.339 -7.463 1.00 0.00 C ATOM 529 OG1 THR A 37 14.709 -5.954 -8.430 1.00 0.00 O ATOM 530 CG2 THR A 37 14.583 -4.139 -6.844 1.00 0.00 C ATOM 0 H THR A 37 15.473 -7.103 -6.712 1.00 0.00 H new ATOM 0 HA THR A 37 13.290 -5.822 -5.436 1.00 0.00 H new ATOM 0 HB THR A 37 12.950 -5.001 -7.950 1.00 0.00 H new ATOM 0 HG1 THR A 37 14.933 -5.304 -9.129 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.837 -3.424 -7.626 1.00 0.00 H new ATOM 0 HG22 THR A 37 13.930 -3.661 -6.114 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.494 -4.476 -6.350 1.00 0.00 H new ATOM 538 N GLN A 38 12.343 -7.859 -7.884 1.00 0.00 N ATOM 539 CA GLN A 38 11.153 -8.630 -8.387 1.00 0.00 C ATOM 540 C GLN A 38 10.552 -9.521 -7.290 1.00 0.00 C ATOM 541 O GLN A 38 9.362 -9.795 -7.303 1.00 0.00 O ATOM 542 CB GLN A 38 11.576 -9.492 -9.577 1.00 0.00 C ATOM 543 CG GLN A 38 11.627 -8.629 -10.840 1.00 0.00 C ATOM 544 CD GLN A 38 12.187 -9.451 -12.002 1.00 0.00 C ATOM 545 OE1 GLN A 38 11.508 -10.301 -12.543 1.00 0.00 O ATOM 546 NE2 GLN A 38 13.407 -9.234 -12.411 1.00 0.00 N ATOM 0 H GLN A 38 13.184 -7.953 -8.454 1.00 0.00 H new ATOM 0 HA GLN A 38 10.388 -7.916 -8.693 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.553 -9.937 -9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.872 -10.313 -9.713 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.629 -8.267 -11.086 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.251 -7.752 -10.668 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.978 -8.521 -11.957 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.790 -9.778 -13.184 1.00 0.00 H new ATOM 555 N GLU A 39 11.357 -9.970 -6.351 1.00 0.00 N ATOM 556 CA GLU A 39 10.837 -10.846 -5.251 1.00 0.00 C ATOM 557 C GLU A 39 9.985 -10.013 -4.292 1.00 0.00 C ATOM 558 O GLU A 39 8.892 -10.410 -3.915 1.00 0.00 O ATOM 559 CB GLU A 39 12.008 -11.464 -4.485 1.00 0.00 C ATOM 560 CG GLU A 39 12.546 -12.670 -5.260 1.00 0.00 C ATOM 561 CD GLU A 39 13.889 -13.111 -4.670 1.00 0.00 C ATOM 562 OE1 GLU A 39 13.982 -13.215 -3.457 1.00 0.00 O ATOM 563 OE2 GLU A 39 14.804 -13.343 -5.444 1.00 0.00 O ATOM 0 H GLU A 39 12.355 -9.766 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 39 10.228 -11.640 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.797 -10.725 -4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.684 -11.772 -3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.831 -13.492 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.668 -12.412 -6.312 1.00 0.00 H new ATOM 570 N MET A 40 10.490 -8.864 -3.900 1.00 0.00 N ATOM 571 CA MET A 40 9.750 -7.969 -2.958 1.00 0.00 C ATOM 572 C MET A 40 8.442 -7.544 -3.620 1.00 0.00 C ATOM 573 O MET A 40 7.361 -7.723 -3.077 1.00 0.00 O ATOM 574 CB MET A 40 10.595 -6.728 -2.697 1.00 0.00 C ATOM 575 CG MET A 40 10.189 -6.101 -1.363 1.00 0.00 C ATOM 576 SD MET A 40 11.120 -6.905 -0.034 1.00 0.00 S ATOM 577 CE MET A 40 10.195 -6.214 1.358 1.00 0.00 C ATOM 0 H MET A 40 11.397 -8.506 -4.199 1.00 0.00 H new ATOM 0 HA MET A 40 9.548 -8.488 -2.021 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.652 -6.993 -2.679 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.461 -6.008 -3.504 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.392 -5.030 -1.372 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.118 -6.221 -1.200 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.883 -5.714 2.040 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.464 -5.495 0.988 1.00 0.00 H new ATOM 0 HE3 MET A 40 9.679 -7.016 1.886 1.00 0.00 H new ATOM 587 N LYS A 41 8.555 -6.985 -4.806 1.00 0.00 N ATOM 588 CA LYS A 41 7.354 -6.531 -5.579 1.00 0.00 C ATOM 589 C LYS A 41 6.365 -7.693 -5.705 1.00 0.00 C ATOM 590 O LYS A 41 5.157 -7.500 -5.661 1.00 0.00 O ATOM 591 CB LYS A 41 7.783 -6.075 -6.978 1.00 0.00 C ATOM 592 CG LYS A 41 6.582 -5.470 -7.710 1.00 0.00 C ATOM 593 CD LYS A 41 6.979 -5.121 -9.146 1.00 0.00 C ATOM 594 CE LYS A 41 7.994 -3.977 -9.133 1.00 0.00 C ATOM 595 NZ LYS A 41 8.009 -3.309 -10.466 1.00 0.00 N ATOM 0 H LYS A 41 9.445 -6.823 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 41 6.880 -5.699 -5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.584 -5.340 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.178 -6.920 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.752 -6.176 -7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.239 -4.576 -7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.406 -5.994 -9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.097 -4.832 -9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.736 -3.257 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.986 -4.360 -8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.969 -2.968 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.718 -3.988 -11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.350 -2.504 -10.459 1.00 0.00 H new ATOM 609 N ALA A 42 6.883 -8.898 -5.845 1.00 0.00 N ATOM 610 CA ALA A 42 6.008 -10.105 -5.958 1.00 0.00 C ATOM 611 C ALA A 42 5.200 -10.250 -4.668 1.00 0.00 C ATOM 612 O ALA A 42 4.010 -10.530 -4.696 1.00 0.00 O ATOM 613 CB ALA A 42 6.877 -11.349 -6.158 1.00 0.00 C ATOM 0 H ALA A 42 7.884 -9.092 -5.885 1.00 0.00 H new ATOM 0 HA ALA A 42 5.335 -9.997 -6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.239 -12.229 -6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.464 -11.240 -7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.547 -11.465 -5.306 1.00 0.00 H new ATOM 619 N ARG A 43 5.852 -10.048 -3.542 1.00 0.00 N ATOM 620 CA ARG A 43 5.165 -10.157 -2.217 1.00 0.00 C ATOM 621 C ARG A 43 4.041 -9.120 -2.136 1.00 0.00 C ATOM 622 O ARG A 43 2.959 -9.411 -1.641 1.00 0.00 O ATOM 623 CB ARG A 43 6.175 -9.905 -1.092 1.00 0.00 C ATOM 624 CG ARG A 43 5.900 -10.861 0.072 1.00 0.00 C ATOM 625 CD ARG A 43 4.774 -10.302 0.942 1.00 0.00 C ATOM 626 NE ARG A 43 4.304 -11.358 1.883 1.00 0.00 N ATOM 627 CZ ARG A 43 4.463 -11.204 3.170 1.00 0.00 C ATOM 628 NH1 ARG A 43 5.660 -11.046 3.666 1.00 0.00 N ATOM 629 NH2 ARG A 43 3.426 -11.210 3.961 1.00 0.00 N ATOM 0 H ARG A 43 6.842 -9.810 -3.489 1.00 0.00 H new ATOM 0 HA ARG A 43 4.745 -11.157 -2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.190 -10.050 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.104 -8.872 -0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.624 -11.844 -0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.803 -10.992 0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.127 -9.434 1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.949 -9.965 0.315 1.00 0.00 H new ATOM 0 HE ARG A 43 3.858 -12.201 1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.472 -11.043 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.784 -10.926 4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.490 -11.335 3.574 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.551 -11.090 4.966 1.00 0.00 H new ATOM 643 N CYS A 44 4.291 -7.914 -2.620 1.00 0.00 N ATOM 644 CA CYS A 44 3.242 -6.845 -2.575 1.00 0.00 C ATOM 645 C CYS A 44 2.065 -7.224 -3.465 1.00 0.00 C ATOM 646 O CYS A 44 0.940 -6.867 -3.176 1.00 0.00 O ATOM 647 CB CYS A 44 3.782 -5.529 -3.089 1.00 0.00 C ATOM 648 SG CYS A 44 4.716 -4.734 -1.778 1.00 0.00 S ATOM 0 H CYS A 44 5.176 -7.632 -3.042 1.00 0.00 H new ATOM 0 HA CYS A 44 2.932 -6.745 -1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.419 -5.696 -3.958 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.964 -4.886 -3.412 1.00 0.00 H new ATOM 653 N CYS A 45 2.327 -7.916 -4.559 1.00 0.00 N ATOM 654 CA CYS A 45 1.222 -8.305 -5.494 1.00 0.00 C ATOM 655 C CYS A 45 0.403 -9.424 -4.859 1.00 0.00 C ATOM 656 O CYS A 45 -0.787 -9.539 -5.106 1.00 0.00 O ATOM 657 CB CYS A 45 1.793 -8.784 -6.833 1.00 0.00 C ATOM 658 SG CYS A 45 2.227 -7.376 -7.901 1.00 0.00 S ATOM 0 H CYS A 45 3.258 -8.225 -4.840 1.00 0.00 H new ATOM 0 HA CYS A 45 0.590 -7.436 -5.678 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.677 -9.397 -6.657 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.063 -9.416 -7.338 1.00 0.00 H new ATOM 663 N ARG A 46 1.033 -10.246 -4.043 1.00 0.00 N ATOM 664 CA ARG A 46 0.306 -11.366 -3.373 1.00 0.00 C ATOM 665 C ARG A 46 -0.563 -10.783 -2.258 1.00 0.00 C ATOM 666 O ARG A 46 -1.635 -11.292 -1.965 1.00 0.00 O ATOM 667 CB ARG A 46 1.319 -12.340 -2.773 1.00 0.00 C ATOM 668 CG ARG A 46 0.676 -13.724 -2.591 1.00 0.00 C ATOM 669 CD ARG A 46 0.430 -14.002 -1.104 1.00 0.00 C ATOM 670 NE ARG A 46 -0.972 -14.468 -0.910 1.00 0.00 N ATOM 671 CZ ARG A 46 -1.203 -15.684 -0.495 1.00 0.00 C ATOM 672 NH1 ARG A 46 -1.129 -16.684 -1.330 1.00 0.00 N ATOM 673 NH2 ARG A 46 -1.507 -15.901 0.756 1.00 0.00 N ATOM 0 H ARG A 46 2.025 -10.183 -3.815 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.317 -11.895 -4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.190 -12.418 -3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.671 -11.965 -1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.266 -13.770 -3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.326 -14.493 -3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.128 -14.757 -0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.608 -13.099 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.751 -13.837 -1.101 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.891 -16.516 -2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.310 -17.634 -1.005 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.564 -15.120 1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.687 -16.851 1.080 1.00 0.00 H new ATOM 687 N GLN A 47 -0.099 -9.708 -1.644 1.00 0.00 N ATOM 688 CA GLN A 47 -0.880 -9.058 -0.543 1.00 0.00 C ATOM 689 C GLN A 47 -2.030 -8.235 -1.143 1.00 0.00 C ATOM 690 O GLN A 47 -3.101 -8.132 -0.560 1.00 0.00 O ATOM 691 CB GLN A 47 0.045 -8.138 0.264 1.00 0.00 C ATOM 692 CG GLN A 47 1.262 -8.932 0.769 1.00 0.00 C ATOM 693 CD GLN A 47 1.361 -8.825 2.294 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.406 -9.088 2.997 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.486 -8.449 2.838 1.00 0.00 N ATOM 0 H GLN A 47 0.789 -9.257 -1.863 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.291 -9.826 0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.375 -7.305 -0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.498 -7.712 1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.172 -9.978 0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.173 -8.549 0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.289 -8.228 2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.563 -8.376 3.853 1.00 0.00 H new ATOM 704 N LEU A 48 -1.806 -7.663 -2.307 1.00 0.00 N ATOM 705 CA LEU A 48 -2.852 -6.842 -2.987 1.00 0.00 C ATOM 706 C LEU A 48 -3.927 -7.765 -3.549 1.00 0.00 C ATOM 707 O LEU A 48 -5.089 -7.413 -3.585 1.00 0.00 O ATOM 708 CB LEU A 48 -2.217 -6.048 -4.133 1.00 0.00 C ATOM 709 CG LEU A 48 -3.131 -4.870 -4.519 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.495 -3.554 -4.066 1.00 0.00 C ATOM 711 CD2 LEU A 48 -3.332 -4.845 -6.041 1.00 0.00 C ATOM 0 H LEU A 48 -0.926 -7.735 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.296 -6.151 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.237 -5.677 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.061 -6.697 -4.995 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.097 -4.993 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.144 -2.723 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.361 -3.568 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.526 -3.433 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.979 -4.010 -6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.367 -4.728 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.793 -5.779 -6.363 1.00 0.00 H new ATOM 723 N GLU A 49 -3.539 -8.946 -3.981 1.00 0.00 N ATOM 724 CA GLU A 49 -4.526 -9.919 -4.541 1.00 0.00 C ATOM 725 C GLU A 49 -5.330 -10.512 -3.383 1.00 0.00 C ATOM 726 O GLU A 49 -6.535 -10.674 -3.479 1.00 0.00 O ATOM 727 CB GLU A 49 -3.785 -11.029 -5.300 1.00 0.00 C ATOM 728 CG GLU A 49 -4.257 -11.065 -6.756 1.00 0.00 C ATOM 729 CD GLU A 49 -5.613 -11.770 -6.836 1.00 0.00 C ATOM 730 OE1 GLU A 49 -6.613 -11.116 -6.598 1.00 0.00 O ATOM 731 OE2 GLU A 49 -5.626 -12.953 -7.133 1.00 0.00 O ATOM 0 H GLU A 49 -2.574 -9.275 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.199 -9.417 -5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.710 -10.854 -5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.969 -11.992 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.339 -10.051 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.526 -11.588 -7.373 1.00 0.00 H new ATOM 738 N ALA A 50 -4.666 -10.806 -2.278 1.00 0.00 N ATOM 739 CA ALA A 50 -5.376 -11.361 -1.076 1.00 0.00 C ATOM 740 C ALA A 50 -6.416 -10.329 -0.635 1.00 0.00 C ATOM 741 O ALA A 50 -7.533 -10.661 -0.281 1.00 0.00 O ATOM 742 CB ALA A 50 -4.371 -11.599 0.052 1.00 0.00 C ATOM 0 H ALA A 50 -3.660 -10.683 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.856 -12.309 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.889 -12.002 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.613 -12.309 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.893 -10.656 0.318 1.00 0.00 H new ATOM 748 N ILE A 51 -6.037 -9.075 -0.712 1.00 0.00 N ATOM 749 CA ILE A 51 -6.950 -7.945 -0.369 1.00 0.00 C ATOM 750 C ILE A 51 -7.824 -7.664 -1.607 1.00 0.00 C ATOM 751 O ILE A 51 -7.312 -7.144 -2.578 1.00 0.00 O ATOM 752 CB ILE A 51 -6.125 -6.700 -0.027 1.00 0.00 C ATOM 753 CG1 ILE A 51 -5.198 -7.015 1.147 1.00 0.00 C ATOM 754 CG2 ILE A 51 -7.063 -5.553 0.359 1.00 0.00 C ATOM 755 CD1 ILE A 51 -4.138 -5.920 1.270 1.00 0.00 C ATOM 0 H ILE A 51 -5.105 -8.783 -1.007 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.570 -8.198 0.491 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.533 -6.407 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.774 -7.084 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.720 -7.983 0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.475 -4.668 0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.727 -5.329 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.656 -5.844 1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.478 -6.145 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.555 -5.873 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.625 -4.960 1.440 1.00 0.00 H new ATOM 767 N PRO A 52 -9.098 -8.049 -1.583 1.00 0.00 N ATOM 768 CA PRO A 52 -9.981 -7.868 -2.757 1.00 0.00 C ATOM 769 C PRO A 52 -10.062 -6.392 -3.158 1.00 0.00 C ATOM 770 O PRO A 52 -10.091 -5.508 -2.321 1.00 0.00 O ATOM 771 CB PRO A 52 -11.324 -8.461 -2.310 1.00 0.00 C ATOM 772 CG PRO A 52 -11.284 -8.490 -0.768 1.00 0.00 C ATOM 773 CD PRO A 52 -9.793 -8.613 -0.400 1.00 0.00 C ATOM 0 HA PRO A 52 -9.619 -8.366 -3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.156 -7.855 -2.667 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.462 -9.463 -2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.719 -7.584 -0.347 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.856 -9.331 -0.376 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.556 -8.058 0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.507 -9.650 -0.223 1.00 0.00 H new ATOM 781 N ALA A 53 -10.054 -6.145 -4.454 1.00 0.00 N ATOM 782 CA ALA A 53 -10.086 -4.748 -5.020 1.00 0.00 C ATOM 783 C ALA A 53 -11.023 -3.821 -4.234 1.00 0.00 C ATOM 784 O ALA A 53 -10.802 -2.621 -4.182 1.00 0.00 O ATOM 785 CB ALA A 53 -10.561 -4.818 -6.469 1.00 0.00 C ATOM 0 H ALA A 53 -10.026 -6.877 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.079 -4.336 -4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.589 -3.814 -6.892 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.874 -5.436 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.559 -5.254 -6.504 1.00 0.00 H new ATOM 791 N TYR A 54 -12.067 -4.363 -3.642 1.00 0.00 N ATOM 792 CA TYR A 54 -13.041 -3.522 -2.870 1.00 0.00 C ATOM 793 C TYR A 54 -12.310 -2.669 -1.821 1.00 0.00 C ATOM 794 O TYR A 54 -12.234 -1.457 -1.951 1.00 0.00 O ATOM 795 CB TYR A 54 -14.068 -4.436 -2.181 1.00 0.00 C ATOM 796 CG TYR A 54 -15.451 -4.117 -2.698 1.00 0.00 C ATOM 797 CD1 TYR A 54 -15.789 -4.423 -4.020 1.00 0.00 C ATOM 798 CD2 TYR A 54 -16.388 -3.507 -1.858 1.00 0.00 C ATOM 799 CE1 TYR A 54 -17.065 -4.119 -4.504 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.664 -3.202 -2.341 1.00 0.00 C ATOM 801 CZ TYR A 54 -18.004 -3.508 -3.663 1.00 0.00 C ATOM 802 OH TYR A 54 -19.264 -3.208 -4.139 1.00 0.00 O ATOM 0 H TYR A 54 -12.286 -5.359 -3.662 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.552 -2.851 -3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.828 -5.482 -2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.030 -4.295 -1.101 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -15.064 -4.894 -4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -16.126 -3.272 -0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -17.326 -4.355 -5.525 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -18.388 -2.730 -1.693 1.00 0.00 H new ATOM 0 HH TYR A 54 -19.791 -2.789 -3.427 1.00 0.00 H new ATOM 812 N CYS A 55 -11.793 -3.295 -0.783 1.00 0.00 N ATOM 813 CA CYS A 55 -11.077 -2.537 0.300 1.00 0.00 C ATOM 814 C CYS A 55 -9.579 -2.384 -0.034 1.00 0.00 C ATOM 815 O CYS A 55 -8.812 -1.946 0.807 1.00 0.00 O ATOM 816 CB CYS A 55 -11.215 -3.290 1.628 1.00 0.00 C ATOM 817 SG CYS A 55 -12.906 -3.916 1.808 1.00 0.00 S ATOM 0 H CYS A 55 -11.837 -4.304 -0.640 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.525 -1.546 0.378 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.506 -4.117 1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.973 -2.627 2.459 1.00 0.00 H new ATOM 822 N ARG A 56 -9.153 -2.747 -1.242 1.00 0.00 N ATOM 823 CA ARG A 56 -7.695 -2.628 -1.626 1.00 0.00 C ATOM 824 C ARG A 56 -7.149 -1.236 -1.236 1.00 0.00 C ATOM 825 O ARG A 56 -6.563 -1.091 -0.180 1.00 0.00 O ATOM 826 CB ARG A 56 -7.542 -2.850 -3.144 1.00 0.00 C ATOM 827 CG ARG A 56 -6.861 -4.198 -3.411 1.00 0.00 C ATOM 828 CD ARG A 56 -6.605 -4.364 -4.915 1.00 0.00 C ATOM 829 NE ARG A 56 -6.905 -5.779 -5.310 1.00 0.00 N ATOM 830 CZ ARG A 56 -7.297 -6.092 -6.525 1.00 0.00 C ATOM 831 NH1 ARG A 56 -7.889 -5.221 -7.298 1.00 0.00 N ATOM 832 NH2 ARG A 56 -7.112 -7.308 -6.962 1.00 0.00 N ATOM 0 H ARG A 56 -9.757 -3.120 -1.975 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.123 -3.386 -1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.520 -2.826 -3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.953 -2.043 -3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.920 -4.254 -2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.490 -5.011 -3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.231 -3.675 -5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.569 -4.120 -5.149 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.802 -6.520 -4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.057 -4.272 -6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.183 -5.489 -8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.668 -8.003 -6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.412 -7.563 -7.903 1.00 0.00 H new ATOM 846 N CYS A 57 -7.325 -0.230 -2.090 1.00 0.00 N ATOM 847 CA CYS A 57 -6.815 1.175 -1.807 1.00 0.00 C ATOM 848 C CYS A 57 -6.843 1.541 -0.299 1.00 0.00 C ATOM 849 O CYS A 57 -5.855 2.036 0.213 1.00 0.00 O ATOM 850 CB CYS A 57 -7.656 2.183 -2.601 1.00 0.00 C ATOM 851 SG CYS A 57 -7.539 1.795 -4.372 1.00 0.00 S ATOM 0 H CYS A 57 -7.808 -0.326 -2.984 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.771 1.211 -2.118 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.696 2.143 -2.276 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.302 3.197 -2.414 1.00 0.00 H new ATOM 856 N GLU A 58 -7.952 1.317 0.407 1.00 0.00 N ATOM 857 CA GLU A 58 -8.039 1.653 1.879 1.00 0.00 C ATOM 858 C GLU A 58 -6.746 1.265 2.632 1.00 0.00 C ATOM 859 O GLU A 58 -6.166 2.092 3.312 1.00 0.00 O ATOM 860 CB GLU A 58 -9.216 0.895 2.496 1.00 0.00 C ATOM 861 CG GLU A 58 -10.486 1.740 2.379 1.00 0.00 C ATOM 862 CD GLU A 58 -10.536 2.745 3.532 1.00 0.00 C ATOM 863 OE1 GLU A 58 -10.448 2.315 4.670 1.00 0.00 O ATOM 864 OE2 GLU A 58 -10.661 3.927 3.256 1.00 0.00 O ATOM 0 H GLU A 58 -8.803 0.912 0.017 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.178 2.730 1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.354 -0.060 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.010 0.672 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.500 2.265 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.367 1.098 2.403 1.00 0.00 H new ATOM 871 N ALA A 59 -6.312 0.014 2.531 1.00 0.00 N ATOM 872 CA ALA A 59 -5.064 -0.459 3.245 1.00 0.00 C ATOM 873 C ALA A 59 -3.929 0.575 3.169 1.00 0.00 C ATOM 874 O ALA A 59 -3.267 0.848 4.161 1.00 0.00 O ATOM 875 CB ALA A 59 -4.586 -1.769 2.619 1.00 0.00 C ATOM 0 H ALA A 59 -6.777 -0.705 1.977 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.320 -0.603 4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.687 -2.111 3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.367 -2.524 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.363 -1.608 1.564 1.00 0.00 H new ATOM 881 N VAL A 60 -3.702 1.144 2.005 1.00 0.00 N ATOM 882 CA VAL A 60 -2.618 2.167 1.840 1.00 0.00 C ATOM 883 C VAL A 60 -2.867 3.318 2.824 1.00 0.00 C ATOM 884 O VAL A 60 -1.976 3.730 3.550 1.00 0.00 O ATOM 885 CB VAL A 60 -2.634 2.702 0.405 1.00 0.00 C ATOM 886 CG1 VAL A 60 -1.455 3.658 0.200 1.00 0.00 C ATOM 887 CG2 VAL A 60 -2.525 1.534 -0.586 1.00 0.00 C ATOM 0 H VAL A 60 -4.228 0.940 1.155 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.647 1.715 2.041 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.569 3.235 0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.468 4.038 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.537 4.491 0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.520 3.126 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.537 1.920 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.593 0.995 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.367 0.857 -0.444 1.00 0.00 H new ATOM 897 N ARG A 61 -4.085 3.818 2.851 1.00 0.00 N ATOM 898 CA ARG A 61 -4.454 4.934 3.782 1.00 0.00 C ATOM 899 C ARG A 61 -4.195 4.501 5.236 1.00 0.00 C ATOM 900 O ARG A 61 -3.971 5.327 6.099 1.00 0.00 O ATOM 901 CB ARG A 61 -5.944 5.268 3.601 1.00 0.00 C ATOM 902 CG ARG A 61 -6.098 6.650 2.958 1.00 0.00 C ATOM 903 CD ARG A 61 -7.513 6.791 2.390 1.00 0.00 C ATOM 904 NE ARG A 61 -7.940 8.218 2.457 1.00 0.00 N ATOM 905 CZ ARG A 61 -8.905 8.645 1.690 1.00 0.00 C ATOM 906 NH1 ARG A 61 -10.143 8.327 1.957 1.00 0.00 N ATOM 907 NH2 ARG A 61 -8.633 9.391 0.653 1.00 0.00 N ATOM 0 H ARG A 61 -4.848 3.493 2.257 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.851 5.814 3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.421 4.512 2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.449 5.249 4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.911 7.430 3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.361 6.779 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.538 6.442 1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.206 6.167 2.954 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.478 8.859 3.102 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.357 7.744 2.766 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.896 8.662 1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.666 9.640 0.443 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.387 9.725 0.053 1.00 0.00 H new ATOM 921 N ILE A 62 -4.250 3.214 5.501 1.00 0.00 N ATOM 922 CA ILE A 62 -4.019 2.686 6.890 1.00 0.00 C ATOM 923 C ILE A 62 -2.525 2.652 7.207 1.00 0.00 C ATOM 924 O ILE A 62 -2.141 2.779 8.358 1.00 0.00 O ATOM 925 CB ILE A 62 -4.598 1.260 6.978 1.00 0.00 C ATOM 926 CG1 ILE A 62 -6.116 1.294 6.711 1.00 0.00 C ATOM 927 CG2 ILE A 62 -4.308 0.633 8.352 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.856 2.033 7.835 1.00 0.00 C ATOM 0 H ILE A 62 -4.448 2.496 4.804 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.510 3.339 7.612 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.117 0.643 6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.310 1.786 5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.497 0.276 6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.727 -0.373 8.389 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.231 0.583 8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.761 1.243 9.133 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.925 2.043 7.622 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.679 1.524 8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.490 3.058 7.899 1.00 0.00 H new ATOM 940 N LEU A 63 -1.692 2.452 6.214 1.00 0.00 N ATOM 941 CA LEU A 63 -0.221 2.392 6.470 1.00 0.00 C ATOM 942 C LEU A 63 0.333 3.797 6.653 1.00 0.00 C ATOM 943 O LEU A 63 1.137 4.034 7.536 1.00 0.00 O ATOM 944 CB LEU A 63 0.483 1.696 5.301 1.00 0.00 C ATOM 945 CG LEU A 63 1.860 1.198 5.749 1.00 0.00 C ATOM 946 CD1 LEU A 63 1.697 0.126 6.830 1.00 0.00 C ATOM 947 CD2 LEU A 63 2.599 0.601 4.551 1.00 0.00 C ATOM 0 H LEU A 63 -1.968 2.328 5.240 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.041 1.822 7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.119 0.859 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.590 2.387 4.465 1.00 0.00 H new ATOM 0 HG LEU A 63 2.431 2.034 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.680 -0.225 7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.171 0.549 7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.124 -0.710 6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.580 0.246 4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.024 -0.233 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.721 1.364 3.782 1.00 0.00 H new ATOM 959 N MET A 64 -0.084 4.723 5.826 1.00 0.00 N ATOM 960 CA MET A 64 0.416 6.123 5.946 1.00 0.00 C ATOM 961 C MET A 64 -0.316 6.851 7.081 1.00 0.00 C ATOM 962 O MET A 64 0.311 7.463 7.930 1.00 0.00 O ATOM 963 CB MET A 64 0.181 6.868 4.626 1.00 0.00 C ATOM 964 CG MET A 64 1.054 8.128 4.577 1.00 0.00 C ATOM 965 SD MET A 64 1.976 8.161 3.020 1.00 0.00 S ATOM 966 CE MET A 64 3.638 8.057 3.731 1.00 0.00 C ATOM 0 H MET A 64 -0.752 4.567 5.071 1.00 0.00 H new ATOM 0 HA MET A 64 1.483 6.099 6.168 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.418 6.218 3.784 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.871 7.139 4.533 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.431 9.019 4.663 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.744 8.139 5.421 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.338 7.710 2.971 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.945 9.041 4.085 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.633 7.357 4.566 1.00 0.00 H new ATOM 976 N ASP A 65 -1.638 6.805 7.083 1.00 0.00 N ATOM 977 CA ASP A 65 -2.434 7.511 8.140 1.00 0.00 C ATOM 978 C ASP A 65 -2.485 6.686 9.429 1.00 0.00 C ATOM 979 O ASP A 65 -2.719 7.232 10.496 1.00 0.00 O ATOM 980 CB ASP A 65 -3.858 7.883 7.636 1.00 0.00 C ATOM 981 CG ASP A 65 -3.770 8.416 6.203 1.00 0.00 C ATOM 982 OD1 ASP A 65 -3.059 9.384 5.994 1.00 0.00 O ATOM 983 OD2 ASP A 65 -4.418 7.845 5.340 1.00 0.00 O ATOM 0 H ASP A 65 -2.196 6.305 6.392 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.926 8.448 8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.508 7.008 7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.301 8.635 8.288 1.00 0.00 H new ATOM 988 N GLY A 66 -2.282 5.379 9.345 1.00 0.00 N ATOM 989 CA GLY A 66 -2.335 4.525 10.572 1.00 0.00 C ATOM 990 C GLY A 66 -3.794 4.195 10.906 1.00 0.00 C ATOM 991 O GLY A 66 -4.690 4.989 10.671 1.00 0.00 O ATOM 0 H GLY A 66 -2.083 4.878 8.479 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.771 3.606 10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.868 5.044 11.409 1.00 0.00 H new ATOM 995 N VAL A 67 -4.021 3.022 11.449 1.00 0.00 N ATOM 996 CA VAL A 67 -5.403 2.571 11.821 1.00 0.00 C ATOM 997 C VAL A 67 -5.465 2.331 13.330 1.00 0.00 C ATOM 998 O VAL A 67 -4.448 2.188 13.981 1.00 0.00 O ATOM 999 CB VAL A 67 -5.755 1.285 11.062 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.679 0.225 11.311 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -7.118 0.745 11.519 1.00 0.00 C ATOM 0 H VAL A 67 -3.289 2.342 11.655 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.125 3.341 11.550 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.805 1.514 9.998 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.934 -0.686 10.770 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.715 0.596 10.963 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.621 0.009 12.378 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.351 -0.167 10.970 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.084 0.527 12.586 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.888 1.491 11.326 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.657 2.305 13.880 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.819 2.091 15.347 1.00 0.00 C ATOM 1013 C VAL A 68 -7.506 0.741 15.566 1.00 0.00 C ATOM 1014 O VAL A 68 -8.121 0.186 14.670 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.628 3.246 15.963 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -8.029 2.923 17.411 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.758 4.504 15.964 1.00 0.00 C ATOM 0 H VAL A 68 -7.530 2.424 13.367 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.847 2.078 15.841 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.533 3.396 15.374 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.600 3.754 17.825 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.640 2.020 17.427 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.132 2.765 18.010 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.317 5.333 16.398 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.859 4.324 16.554 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.477 4.753 14.941 1.00 0.00 H new ATOM 1027 N THR A 69 -7.326 0.195 16.743 1.00 0.00 N ATOM 1028 CA THR A 69 -7.864 -1.150 17.077 1.00 0.00 C ATOM 1029 C THR A 69 -8.893 -1.065 18.200 1.00 0.00 C ATOM 1030 O THR A 69 -8.980 -0.090 18.920 1.00 0.00 O ATOM 1031 CB THR A 69 -6.718 -2.083 17.478 1.00 0.00 C ATOM 1032 OG1 THR A 69 -5.972 -1.495 18.528 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.807 -2.312 16.274 1.00 0.00 C ATOM 0 H THR A 69 -6.814 0.642 17.503 1.00 0.00 H new ATOM 0 HA THR A 69 -8.362 -1.551 16.194 1.00 0.00 H new ATOM 0 HB THR A 69 -7.127 -3.036 17.814 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.611 -0.634 18.231 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.990 -2.976 16.557 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.380 -2.766 15.465 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.400 -1.358 15.939 1.00 0.00 H new ATOM 1041 N SER A 70 -9.700 -2.086 18.286 1.00 0.00 N ATOM 1042 CA SER A 70 -10.798 -2.168 19.294 1.00 0.00 C ATOM 1043 C SER A 70 -10.243 -2.217 20.723 1.00 0.00 C ATOM 1044 O SER A 70 -10.962 -1.963 21.678 1.00 0.00 O ATOM 1045 CB SER A 70 -11.599 -3.434 19.003 1.00 0.00 C ATOM 1046 OG SER A 70 -12.713 -3.509 19.883 1.00 0.00 O ATOM 0 H SER A 70 -9.641 -2.900 17.674 1.00 0.00 H new ATOM 0 HA SER A 70 -11.428 -1.281 19.222 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.941 -3.430 17.968 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.966 -4.313 19.126 1.00 0.00 H new ATOM 0 HG SER A 70 -13.226 -4.322 19.693 1.00 0.00 H new ATOM 1052 N SER A 71 -8.980 -2.533 20.869 1.00 0.00 N ATOM 1053 CA SER A 71 -8.347 -2.596 22.225 1.00 0.00 C ATOM 1054 C SER A 71 -7.841 -1.206 22.637 1.00 0.00 C ATOM 1055 O SER A 71 -7.528 -0.981 23.794 1.00 0.00 O ATOM 1056 CB SER A 71 -7.172 -3.577 22.200 1.00 0.00 C ATOM 1057 OG SER A 71 -6.458 -3.435 20.980 1.00 0.00 O ATOM 0 H SER A 71 -8.352 -2.753 20.096 1.00 0.00 H new ATOM 0 HA SER A 71 -9.091 -2.934 22.946 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.510 -3.388 23.045 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.536 -4.599 22.303 1.00 0.00 H new ATOM 0 HG SER A 71 -5.705 -4.062 20.967 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.750 -0.282 21.696 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.254 1.097 22.013 1.00 0.00 C ATOM 1065 C GLY A 72 -5.785 1.231 21.573 1.00 0.00 C ATOM 1066 O GLY A 72 -5.115 2.176 21.954 1.00 0.00 O ATOM 0 H GLY A 72 -8.001 -0.431 20.719 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.866 1.841 21.503 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.343 1.290 23.082 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.284 0.294 20.774 1.00 0.00 N ATOM 1071 CA GLN A 73 -3.860 0.364 20.303 1.00 0.00 C ATOM 1072 C GLN A 73 -3.846 0.793 18.836 1.00 0.00 C ATOM 1073 O GLN A 73 -4.836 0.657 18.153 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.193 -1.003 20.459 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.115 -1.358 21.946 1.00 0.00 C ATOM 1076 CD GLN A 73 -2.225 -2.587 22.139 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -2.502 -3.642 21.604 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -1.159 -2.496 22.887 1.00 0.00 N ATOM 0 H GLN A 73 -5.808 -0.512 20.433 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.307 1.089 20.901 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.761 -1.762 19.921 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.194 -0.985 20.024 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.715 -0.516 22.510 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.114 -1.556 22.335 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.926 -1.611 23.337 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.560 -3.310 23.022 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.746 1.323 18.352 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.688 1.775 16.933 1.00 0.00 C ATOM 1089 C HIS A 74 -1.704 0.894 16.182 1.00 0.00 C ATOM 1090 O HIS A 74 -0.810 0.314 16.773 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.192 3.215 16.882 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.287 4.169 17.280 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -3.418 5.419 16.695 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -4.302 4.081 18.202 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -4.474 6.026 17.263 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -5.051 5.254 18.188 1.00 0.00 N ATOM 0 H HIS A 74 -1.886 1.460 18.884 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.679 1.709 16.483 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.338 3.335 17.549 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.846 3.450 15.876 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.490 3.231 18.841 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.815 7.017 17.003 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.865 5.476 18.761 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.879 0.787 14.884 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.985 -0.068 14.051 1.00 0.00 C ATOM 1106 C GLU A 75 -0.626 0.668 12.768 1.00 0.00 C ATOM 1107 O GLU A 75 -1.026 1.804 12.560 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.687 -1.388 13.708 1.00 0.00 C ATOM 1109 CG GLU A 75 -2.304 -2.007 14.968 1.00 0.00 C ATOM 1110 CD GLU A 75 -1.199 -2.622 15.831 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -0.219 -1.944 16.082 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -1.350 -3.767 16.222 1.00 0.00 O ATOM 0 H GLU A 75 -2.615 1.265 14.364 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.077 -0.285 14.613 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.464 -1.212 12.964 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.973 -2.083 13.266 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.841 -1.246 15.534 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.031 -2.770 14.692 1.00 0.00 H new ATOM 1119 N GLY A 76 0.149 0.030 11.913 1.00 0.00 N ATOM 1120 CA GLY A 76 0.577 0.675 10.635 1.00 0.00 C ATOM 1121 C GLY A 76 1.259 2.003 10.963 1.00 0.00 C ATOM 1122 O GLY A 76 1.895 2.139 11.996 1.00 0.00 O ATOM 0 H GLY A 76 0.502 -0.917 12.053 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.261 0.022 10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.285 0.842 9.988 1.00 0.00 H new ATOM 1126 N ARG A 77 1.111 2.976 10.099 1.00 0.00 N ATOM 1127 CA ARG A 77 1.727 4.326 10.340 1.00 0.00 C ATOM 1128 C ARG A 77 3.241 4.178 10.589 1.00 0.00 C ATOM 1129 O ARG A 77 3.859 5.037 11.200 1.00 0.00 O ATOM 1130 CB ARG A 77 1.061 4.957 11.573 1.00 0.00 C ATOM 1131 CG ARG A 77 0.777 6.443 11.313 1.00 0.00 C ATOM 1132 CD ARG A 77 1.815 7.306 12.039 1.00 0.00 C ATOM 1133 NE ARG A 77 1.395 7.502 13.456 1.00 0.00 N ATOM 1134 CZ ARG A 77 2.089 8.281 14.241 1.00 0.00 C ATOM 1135 NH1 ARG A 77 1.836 9.561 14.277 1.00 0.00 N ATOM 1136 NH2 ARG A 77 3.033 7.781 14.991 1.00 0.00 N ATOM 0 H ARG A 77 0.586 2.896 9.228 1.00 0.00 H new ATOM 0 HA ARG A 77 1.576 4.960 9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.132 4.435 11.802 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.710 4.849 12.442 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.807 6.646 10.243 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.225 6.697 11.658 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.793 6.826 12.001 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.914 8.271 11.541 1.00 0.00 H new ATOM 0 HE ARG A 77 0.565 7.027 13.812 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.097 9.951 13.692 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.377 10.171 14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.229 6.780 14.964 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.574 8.391 15.604 1.00 0.00 H new ATOM 1150 N LEU A 78 3.835 3.089 10.126 1.00 0.00 N ATOM 1151 CA LEU A 78 5.294 2.861 10.339 1.00 0.00 C ATOM 1152 C LEU A 78 6.111 3.605 9.276 1.00 0.00 C ATOM 1153 O LEU A 78 7.308 3.778 9.447 1.00 0.00 O ATOM 1154 CB LEU A 78 5.587 1.352 10.286 1.00 0.00 C ATOM 1155 CG LEU A 78 5.950 0.848 11.687 1.00 0.00 C ATOM 1156 CD1 LEU A 78 4.723 0.953 12.596 1.00 0.00 C ATOM 1157 CD2 LEU A 78 6.402 -0.613 11.609 1.00 0.00 C ATOM 0 H LEU A 78 3.359 2.351 9.608 1.00 0.00 H new ATOM 0 HA LEU A 78 5.580 3.247 11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.716 0.815 9.910 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.406 1.155 9.594 1.00 0.00 H new ATOM 0 HG LEU A 78 6.760 1.455 12.092 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.978 0.595 13.594 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.401 1.993 12.654 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.915 0.346 12.188 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.659 -0.968 12.607 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.594 -1.223 11.204 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.275 -0.690 10.960 1.00 0.00 H new ATOM 1169 N LEU A 79 5.488 4.065 8.193 1.00 0.00 N ATOM 1170 CA LEU A 79 6.251 4.817 7.145 1.00 0.00 C ATOM 1171 C LEU A 79 6.818 6.086 7.791 1.00 0.00 C ATOM 1172 O LEU A 79 6.150 7.108 7.867 1.00 0.00 O ATOM 1173 CB LEU A 79 5.313 5.190 5.992 1.00 0.00 C ATOM 1174 CG LEU A 79 4.812 3.917 5.307 1.00 0.00 C ATOM 1175 CD1 LEU A 79 3.368 4.120 4.848 1.00 0.00 C ATOM 1176 CD2 LEU A 79 5.695 3.609 4.094 1.00 0.00 C ATOM 0 H LEU A 79 4.493 3.947 8.002 1.00 0.00 H new ATOM 0 HA LEU A 79 7.060 4.204 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.470 5.769 6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.836 5.820 5.273 1.00 0.00 H new ATOM 0 HG LEU A 79 4.856 3.085 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.011 3.213 4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.739 4.340 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.323 4.952 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.339 2.702 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.651 4.441 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.725 3.464 4.421 1.00 0.00 H new ATOM 1188 N GLN A 80 8.037 6.010 8.283 1.00 0.00 N ATOM 1189 CA GLN A 80 8.663 7.186 8.960 1.00 0.00 C ATOM 1190 C GLN A 80 10.094 7.393 8.475 1.00 0.00 C ATOM 1191 O GLN A 80 10.582 6.696 7.602 1.00 0.00 O ATOM 1192 CB GLN A 80 8.677 6.950 10.471 1.00 0.00 C ATOM 1193 CG GLN A 80 7.250 6.694 10.972 1.00 0.00 C ATOM 1194 CD GLN A 80 7.031 7.429 12.298 1.00 0.00 C ATOM 1195 OE1 GLN A 80 6.157 8.267 12.405 1.00 0.00 O ATOM 1196 NE2 GLN A 80 7.792 7.147 13.320 1.00 0.00 N ATOM 0 H GLN A 80 8.624 5.177 8.242 1.00 0.00 H new ATOM 0 HA GLN A 80 8.080 8.075 8.721 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.314 6.098 10.709 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.100 7.816 10.979 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.527 7.036 10.231 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.087 5.625 11.106 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.526 6.444 13.231 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.653 7.630 14.208 1.00 0.00 H new ATOM 1205 N ASP A 81 10.749 8.369 9.054 1.00 0.00 N ATOM 1206 CA ASP A 81 12.155 8.715 8.692 1.00 0.00 C ATOM 1207 C ASP A 81 13.051 7.469 8.661 1.00 0.00 C ATOM 1208 O ASP A 81 13.101 6.692 9.598 1.00 0.00 O ATOM 1209 CB ASP A 81 12.705 9.703 9.729 1.00 0.00 C ATOM 1210 CG ASP A 81 12.143 11.098 9.455 1.00 0.00 C ATOM 1211 OD1 ASP A 81 10.935 11.254 9.533 1.00 0.00 O ATOM 1212 OD2 ASP A 81 12.929 11.988 9.173 1.00 0.00 O ATOM 0 H ASP A 81 10.352 8.958 9.786 1.00 0.00 H new ATOM 0 HA ASP A 81 12.155 9.158 7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.432 9.381 10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.794 9.723 9.685 1.00 0.00 H new ATOM 1217 N LEU A 82 13.778 7.328 7.585 1.00 0.00 N ATOM 1218 CA LEU A 82 14.740 6.197 7.399 1.00 0.00 C ATOM 1219 C LEU A 82 16.104 6.808 7.024 1.00 0.00 C ATOM 1220 O LEU A 82 16.160 7.984 6.691 1.00 0.00 O ATOM 1221 CB LEU A 82 14.243 5.280 6.271 1.00 0.00 C ATOM 1222 CG LEU A 82 13.203 4.288 6.803 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.570 3.532 5.629 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.888 3.276 7.725 1.00 0.00 C ATOM 0 H LEU A 82 13.744 7.974 6.797 1.00 0.00 H new ATOM 0 HA LEU A 82 14.827 5.604 8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.806 5.880 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.084 4.737 5.839 1.00 0.00 H new ATOM 0 HG LEU A 82 12.436 4.833 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.830 2.826 6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.085 4.241 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.344 2.990 5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.149 2.570 8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.653 2.736 7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.350 3.800 8.561 1.00 0.00 H new ATOM 1236 N PRO A 83 17.175 6.025 7.078 1.00 0.00 N ATOM 1237 CA PRO A 83 18.511 6.546 6.737 1.00 0.00 C ATOM 1238 C PRO A 83 18.590 6.854 5.242 1.00 0.00 C ATOM 1239 O PRO A 83 18.805 5.976 4.423 1.00 0.00 O ATOM 1240 CB PRO A 83 19.469 5.426 7.160 1.00 0.00 C ATOM 1241 CG PRO A 83 18.624 4.135 7.219 1.00 0.00 C ATOM 1242 CD PRO A 83 17.168 4.585 7.452 1.00 0.00 C ATOM 0 HA PRO A 83 18.755 7.483 7.237 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.287 5.323 6.447 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.917 5.643 8.130 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.713 3.569 6.292 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.964 3.484 8.024 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.471 4.016 6.837 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.867 4.443 8.490 1.00 0.00 H new ATOM 1250 N GLY A 84 18.416 8.116 4.902 1.00 0.00 N ATOM 1251 CA GLY A 84 18.473 8.559 3.476 1.00 0.00 C ATOM 1252 C GLY A 84 17.074 8.533 2.834 1.00 0.00 C ATOM 1253 O GLY A 84 16.954 8.789 1.646 1.00 0.00 O ATOM 0 H GLY A 84 18.234 8.866 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.884 9.567 3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.146 7.910 2.916 1.00 0.00 H new ATOM 1257 N CYS A 85 16.019 8.227 3.588 1.00 0.00 N ATOM 1258 CA CYS A 85 14.642 8.181 2.974 1.00 0.00 C ATOM 1259 C CYS A 85 13.614 8.865 3.920 1.00 0.00 C ATOM 1260 O CYS A 85 13.068 8.206 4.792 1.00 0.00 O ATOM 1261 CB CYS A 85 14.208 6.720 2.748 1.00 0.00 C ATOM 1262 SG CYS A 85 15.613 5.703 2.231 1.00 0.00 S ATOM 0 H CYS A 85 16.058 8.012 4.584 1.00 0.00 H new ATOM 0 HA CYS A 85 14.675 8.706 2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 85 13.780 6.317 3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.427 6.682 1.989 1.00 0.00 H new ATOM 1267 N PRO A 86 13.368 10.165 3.746 1.00 0.00 N ATOM 1268 CA PRO A 86 12.409 10.906 4.605 1.00 0.00 C ATOM 1269 C PRO A 86 10.960 10.559 4.250 1.00 0.00 C ATOM 1270 O PRO A 86 10.690 10.003 3.199 1.00 0.00 O ATOM 1271 CB PRO A 86 12.685 12.379 4.288 1.00 0.00 C ATOM 1272 CG PRO A 86 13.383 12.409 2.912 1.00 0.00 C ATOM 1273 CD PRO A 86 13.993 11.011 2.694 1.00 0.00 C ATOM 0 HA PRO A 86 12.534 10.661 5.660 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.757 12.951 4.265 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.318 12.828 5.054 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.671 12.648 2.122 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.156 13.177 2.887 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.771 10.632 1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.078 11.031 2.794 1.00 0.00 H new ATOM 1281 N ARG A 87 10.026 10.915 5.119 1.00 0.00 N ATOM 1282 CA ARG A 87 8.578 10.651 4.861 1.00 0.00 C ATOM 1283 C ARG A 87 8.172 11.231 3.516 1.00 0.00 C ATOM 1284 O ARG A 87 7.202 10.810 2.920 1.00 0.00 O ATOM 1285 CB ARG A 87 7.745 11.350 5.920 1.00 0.00 C ATOM 1286 CG ARG A 87 7.911 10.591 7.204 1.00 0.00 C ATOM 1287 CD ARG A 87 6.935 11.111 8.261 1.00 0.00 C ATOM 1288 NE ARG A 87 5.542 10.746 7.877 1.00 0.00 N ATOM 1289 CZ ARG A 87 4.645 10.526 8.802 1.00 0.00 C ATOM 1290 NH1 ARG A 87 4.819 9.563 9.665 1.00 0.00 N ATOM 1291 NH2 ARG A 87 3.574 11.268 8.862 1.00 0.00 N ATOM 0 H ARG A 87 10.219 11.383 6.005 1.00 0.00 H new ATOM 0 HA ARG A 87 8.416 9.573 4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.070 12.383 6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.696 11.378 5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.738 9.529 7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.935 10.692 7.564 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.178 10.686 9.235 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.026 12.193 8.354 1.00 0.00 H new ATOM 0 HE ARG A 87 5.289 10.668 6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.655 8.981 9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.119 9.392 10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.436 12.020 8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.874 11.096 9.584 1.00 0.00 H new ATOM 1305 N GLN A 88 8.882 12.242 3.085 1.00 0.00 N ATOM 1306 CA GLN A 88 8.538 12.939 1.800 1.00 0.00 C ATOM 1307 C GLN A 88 8.675 12.003 0.582 1.00 0.00 C ATOM 1308 O GLN A 88 7.808 11.990 -0.281 1.00 0.00 O ATOM 1309 CB GLN A 88 9.459 14.158 1.623 1.00 0.00 C ATOM 1310 CG GLN A 88 8.629 15.447 1.618 1.00 0.00 C ATOM 1311 CD GLN A 88 8.218 15.783 0.184 1.00 0.00 C ATOM 1312 OE1 GLN A 88 9.050 16.122 -0.635 1.00 0.00 O ATOM 1313 NE2 GLN A 88 6.961 15.703 -0.159 1.00 0.00 N ATOM 0 H GLN A 88 9.695 12.621 3.571 1.00 0.00 H new ATOM 0 HA GLN A 88 7.496 13.255 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.191 14.191 2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.016 14.071 0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.744 15.325 2.242 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.208 16.267 2.043 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.262 15.419 0.527 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.678 15.925 -1.113 1.00 0.00 H new ATOM 1322 N VAL A 89 9.756 11.255 0.484 1.00 0.00 N ATOM 1323 CA VAL A 89 9.974 10.362 -0.693 1.00 0.00 C ATOM 1324 C VAL A 89 9.040 9.155 -0.644 1.00 0.00 C ATOM 1325 O VAL A 89 8.464 8.777 -1.658 1.00 0.00 O ATOM 1326 CB VAL A 89 11.429 9.909 -0.673 1.00 0.00 C ATOM 1327 CG1 VAL A 89 11.742 9.077 -1.915 1.00 0.00 C ATOM 1328 CG2 VAL A 89 12.312 11.141 -0.652 1.00 0.00 C ATOM 0 H VAL A 89 10.501 11.230 1.181 1.00 0.00 H new ATOM 0 HA VAL A 89 9.756 10.903 -1.614 1.00 0.00 H new ATOM 0 HB VAL A 89 11.611 9.295 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.785 8.760 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.096 8.199 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.569 9.677 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.359 10.838 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.120 11.741 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.093 11.731 0.238 1.00 0.00 H new ATOM 1338 N GLN A 90 8.885 8.556 0.513 1.00 0.00 N ATOM 1339 CA GLN A 90 7.984 7.366 0.628 1.00 0.00 C ATOM 1340 C GLN A 90 6.532 7.821 0.481 1.00 0.00 C ATOM 1341 O GLN A 90 5.683 7.061 0.044 1.00 0.00 O ATOM 1342 CB GLN A 90 8.192 6.670 1.980 1.00 0.00 C ATOM 1343 CG GLN A 90 7.895 7.634 3.133 1.00 0.00 C ATOM 1344 CD GLN A 90 8.695 7.200 4.364 1.00 0.00 C ATOM 1345 OE1 GLN A 90 8.129 6.836 5.375 1.00 0.00 O ATOM 1346 NE2 GLN A 90 9.999 7.224 4.318 1.00 0.00 N ATOM 0 H GLN A 90 9.342 8.839 1.380 1.00 0.00 H new ATOM 0 HA GLN A 90 8.221 6.653 -0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.541 5.798 2.051 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.218 6.309 2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.162 8.652 2.850 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.828 7.635 3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.474 7.530 3.469 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.543 6.937 5.131 1.00 0.00 H new ATOM 1355 N ARG A 91 6.254 9.059 0.833 1.00 0.00 N ATOM 1356 CA ARG A 91 4.861 9.601 0.718 1.00 0.00 C ATOM 1357 C ARG A 91 4.560 9.980 -0.735 1.00 0.00 C ATOM 1358 O ARG A 91 3.418 9.948 -1.158 1.00 0.00 O ATOM 1359 CB ARG A 91 4.710 10.833 1.614 1.00 0.00 C ATOM 1360 CG ARG A 91 3.248 11.298 1.613 1.00 0.00 C ATOM 1361 CD ARG A 91 2.837 11.701 3.031 1.00 0.00 C ATOM 1362 NE ARG A 91 1.356 11.619 3.163 1.00 0.00 N ATOM 1363 CZ ARG A 91 0.774 12.032 4.254 1.00 0.00 C ATOM 1364 NH1 ARG A 91 1.243 11.678 5.420 1.00 0.00 N ATOM 1365 NH2 ARG A 91 -0.277 12.800 4.181 1.00 0.00 N ATOM 0 H ARG A 91 6.940 9.720 1.198 1.00 0.00 H new ATOM 0 HA ARG A 91 4.156 8.833 1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.026 10.596 2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.357 11.635 1.258 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.125 12.142 0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.602 10.499 1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.314 11.045 3.759 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.176 12.715 3.245 1.00 0.00 H new ATOM 0 HE ARG A 91 0.797 11.239 2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.066 11.078 5.478 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.787 12.002 6.273 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.644 13.077 3.271 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.733 13.123 5.034 1.00 0.00 H new ATOM 1379 N ALA A 92 5.574 10.356 -1.489 1.00 0.00 N ATOM 1380 CA ALA A 92 5.365 10.756 -2.915 1.00 0.00 C ATOM 1381 C ALA A 92 5.176 9.512 -3.795 1.00 0.00 C ATOM 1382 O ALA A 92 4.279 9.462 -4.618 1.00 0.00 O ATOM 1383 CB ALA A 92 6.582 11.546 -3.401 1.00 0.00 C ATOM 0 H ALA A 92 6.542 10.401 -1.170 1.00 0.00 H new ATOM 0 HA ALA A 92 4.470 11.375 -2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.434 11.840 -4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.706 12.437 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.474 10.924 -3.323 1.00 0.00 H new ATOM 1389 N PHE A 93 6.035 8.524 -3.636 1.00 0.00 N ATOM 1390 CA PHE A 93 5.950 7.271 -4.465 1.00 0.00 C ATOM 1391 C PHE A 93 4.852 6.320 -3.941 1.00 0.00 C ATOM 1392 O PHE A 93 4.326 5.513 -4.690 1.00 0.00 O ATOM 1393 CB PHE A 93 7.311 6.562 -4.413 1.00 0.00 C ATOM 1394 CG PHE A 93 7.271 5.270 -5.205 1.00 0.00 C ATOM 1395 CD1 PHE A 93 7.299 5.305 -6.603 1.00 0.00 C ATOM 1396 CD2 PHE A 93 7.201 4.040 -4.536 1.00 0.00 C ATOM 1397 CE1 PHE A 93 7.259 4.113 -7.333 1.00 0.00 C ATOM 1398 CE2 PHE A 93 7.161 2.849 -5.268 1.00 0.00 C ATOM 1399 CZ PHE A 93 7.190 2.884 -6.667 1.00 0.00 C ATOM 0 H PHE A 93 6.799 8.534 -2.960 1.00 0.00 H new ATOM 0 HA PHE A 93 5.693 7.542 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.084 7.217 -4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.578 6.352 -3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.352 6.253 -7.119 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.178 4.012 -3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.281 4.141 -8.412 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.108 1.901 -4.753 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.159 1.964 -7.232 1.00 0.00 H new ATOM 1409 N ALA A 94 4.551 6.381 -2.663 1.00 0.00 N ATOM 1410 CA ALA A 94 3.534 5.455 -2.053 1.00 0.00 C ATOM 1411 C ALA A 94 2.147 5.478 -2.758 1.00 0.00 C ATOM 1412 O ALA A 94 1.590 4.418 -2.980 1.00 0.00 O ATOM 1413 CB ALA A 94 3.343 5.819 -0.580 1.00 0.00 C ATOM 0 H ALA A 94 4.971 7.040 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 94 3.929 4.447 -2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.607 5.151 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.292 5.717 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.994 6.849 -0.502 1.00 0.00 H new ATOM 1419 N PRO A 95 1.593 6.656 -3.049 1.00 0.00 N ATOM 1420 CA PRO A 95 0.241 6.768 -3.666 1.00 0.00 C ATOM 1421 C PRO A 95 0.180 6.298 -5.130 1.00 0.00 C ATOM 1422 O PRO A 95 -0.884 6.325 -5.730 1.00 0.00 O ATOM 1423 CB PRO A 95 -0.097 8.257 -3.543 1.00 0.00 C ATOM 1424 CG PRO A 95 1.243 8.998 -3.371 1.00 0.00 C ATOM 1425 CD PRO A 95 2.238 7.969 -2.806 1.00 0.00 C ATOM 0 HA PRO A 95 -0.472 6.116 -3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.624 8.610 -4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.752 8.437 -2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 95 1.593 9.394 -4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.134 9.846 -2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.204 8.035 -3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.417 8.132 -1.743 1.00 0.00 H new ATOM 1433 N LYS A 96 1.282 5.856 -5.702 1.00 0.00 N ATOM 1434 CA LYS A 96 1.259 5.368 -7.125 1.00 0.00 C ATOM 1435 C LYS A 96 1.575 3.859 -7.166 1.00 0.00 C ATOM 1436 O LYS A 96 2.063 3.344 -8.161 1.00 0.00 O ATOM 1437 CB LYS A 96 2.294 6.146 -7.945 1.00 0.00 C ATOM 1438 CG LYS A 96 1.759 7.553 -8.264 1.00 0.00 C ATOM 1439 CD LYS A 96 1.496 7.683 -9.769 1.00 0.00 C ATOM 1440 CE LYS A 96 0.028 7.364 -10.066 1.00 0.00 C ATOM 1441 NZ LYS A 96 -0.755 8.630 -10.139 1.00 0.00 N ATOM 0 H LYS A 96 2.193 5.812 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 96 0.268 5.530 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.229 6.220 -7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.514 5.613 -8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.839 7.736 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.480 8.306 -7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.734 8.693 -10.104 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.145 7.003 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.053 6.820 -11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.379 6.718 -9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.751 8.411 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.688 9.132 -9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.373 9.231 -10.896 1.00 0.00 H new ATOM 1455 N LEU A 97 1.331 3.162 -6.071 1.00 0.00 N ATOM 1456 CA LEU A 97 1.643 1.688 -5.990 1.00 0.00 C ATOM 1457 C LEU A 97 0.660 0.780 -6.788 1.00 0.00 C ATOM 1458 O LEU A 97 1.042 -0.324 -7.143 1.00 0.00 O ATOM 1459 CB LEU A 97 1.617 1.263 -4.518 1.00 0.00 C ATOM 1460 CG LEU A 97 2.689 0.190 -4.263 1.00 0.00 C ATOM 1461 CD1 LEU A 97 3.450 0.519 -2.978 1.00 0.00 C ATOM 1462 CD2 LEU A 97 2.023 -1.182 -4.115 1.00 0.00 C ATOM 0 H LEU A 97 0.925 3.556 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 97 2.625 1.554 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.796 2.127 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.632 0.874 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 97 3.381 0.171 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.209 -0.243 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.930 1.493 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.755 0.542 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.786 -1.939 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.328 -1.160 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.481 -1.424 -5.029 1.00 0.00 H new ATOM 1474 N VAL A 98 -0.584 1.186 -7.062 1.00 0.00 N ATOM 1475 CA VAL A 98 -1.529 0.288 -7.814 1.00 0.00 C ATOM 1476 C VAL A 98 -1.483 0.573 -9.323 1.00 0.00 C ATOM 1477 O VAL A 98 -2.442 0.324 -10.043 1.00 0.00 O ATOM 1478 CB VAL A 98 -2.948 0.512 -7.303 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -3.000 0.173 -5.826 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -3.376 1.974 -7.518 1.00 0.00 C ATOM 0 H VAL A 98 -0.970 2.092 -6.795 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.225 -0.746 -7.650 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.633 -0.131 -7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.012 0.330 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.718 -0.870 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.308 0.815 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.391 2.114 -7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.698 2.635 -6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.342 2.210 -8.582 1.00 0.00 H new ATOM 1490 N THR A 99 -0.379 1.086 -9.799 1.00 0.00 N ATOM 1491 CA THR A 99 -0.246 1.392 -11.262 1.00 0.00 C ATOM 1492 C THR A 99 0.505 0.248 -11.948 1.00 0.00 C ATOM 1493 O THR A 99 0.985 -0.653 -11.282 1.00 0.00 O ATOM 1494 CB THR A 99 0.528 2.710 -11.458 1.00 0.00 C ATOM 1495 OG1 THR A 99 1.913 2.510 -11.185 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.015 3.771 -10.507 1.00 0.00 C ATOM 0 H THR A 99 0.443 1.309 -9.238 1.00 0.00 H new ATOM 0 HA THR A 99 -1.238 1.497 -11.701 1.00 0.00 H new ATOM 0 HB THR A 99 0.404 3.038 -12.490 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.096 2.726 -10.247 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.535 4.702 -10.648 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.072 3.939 -10.714 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.104 3.432 -9.478 1.00 0.00 H new ATOM 1504 N GLU A 100 0.604 0.266 -13.268 1.00 0.00 N ATOM 1505 CA GLU A 100 1.324 -0.832 -13.982 1.00 0.00 C ATOM 1506 C GLU A 100 2.823 -0.909 -13.583 1.00 0.00 C ATOM 1507 O GLU A 100 3.522 -1.779 -14.081 1.00 0.00 O ATOM 1508 CB GLU A 100 1.211 -0.599 -15.491 1.00 0.00 C ATOM 1509 CG GLU A 100 -0.267 -0.555 -15.888 1.00 0.00 C ATOM 1510 CD GLU A 100 -0.429 -1.058 -17.324 1.00 0.00 C ATOM 1511 OE1 GLU A 100 -0.458 -2.263 -17.508 1.00 0.00 O ATOM 1512 OE2 GLU A 100 -0.524 -0.228 -18.214 1.00 0.00 O ATOM 0 H GLU A 100 0.217 0.993 -13.870 1.00 0.00 H new ATOM 0 HA GLU A 100 0.861 -1.777 -13.699 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.700 0.336 -15.764 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.721 -1.396 -16.033 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.855 -1.171 -15.208 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.646 0.463 -15.804 1.00 0.00 H new ATOM 1519 N VAL A 101 3.340 -0.029 -12.712 1.00 0.00 N ATOM 1520 CA VAL A 101 4.790 -0.105 -12.338 1.00 0.00 C ATOM 1521 C VAL A 101 4.970 -0.806 -10.979 1.00 0.00 C ATOM 1522 O VAL A 101 6.082 -0.877 -10.480 1.00 0.00 O ATOM 1523 CB VAL A 101 5.371 1.314 -12.254 1.00 0.00 C ATOM 1524 CG1 VAL A 101 6.881 1.242 -12.010 1.00 0.00 C ATOM 1525 CG2 VAL A 101 5.112 2.055 -13.567 1.00 0.00 C ATOM 0 H VAL A 101 2.815 0.720 -12.261 1.00 0.00 H new ATOM 0 HA VAL A 101 5.313 -0.681 -13.101 1.00 0.00 H new ATOM 0 HB VAL A 101 4.892 1.845 -11.431 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.289 2.251 -11.951 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.074 0.718 -11.074 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.357 0.706 -12.831 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.525 3.062 -13.504 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.587 1.518 -14.388 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.038 2.114 -13.746 1.00 0.00 H new ATOM 1535 N GLU A 102 3.904 -1.318 -10.372 1.00 0.00 N ATOM 1536 CA GLU A 102 4.056 -1.998 -9.041 1.00 0.00 C ATOM 1537 C GLU A 102 3.154 -3.247 -8.937 1.00 0.00 C ATOM 1538 O GLU A 102 3.586 -4.340 -9.266 1.00 0.00 O ATOM 1539 CB GLU A 102 3.728 -0.993 -7.928 1.00 0.00 C ATOM 1540 CG GLU A 102 4.987 -0.192 -7.568 1.00 0.00 C ATOM 1541 CD GLU A 102 5.568 -0.701 -6.247 1.00 0.00 C ATOM 1542 OE1 GLU A 102 5.886 -1.876 -6.175 1.00 0.00 O ATOM 1543 OE2 GLU A 102 5.687 0.096 -5.331 1.00 0.00 O ATOM 0 H GLU A 102 2.954 -1.291 -10.741 1.00 0.00 H new ATOM 0 HA GLU A 102 5.085 -2.340 -8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.937 -0.318 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.355 -1.518 -7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.728 -0.287 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.743 0.867 -7.484 1.00 0.00 H new ATOM 1550 N CYS A 103 1.927 -3.101 -8.462 1.00 0.00 N ATOM 1551 CA CYS A 103 1.008 -4.281 -8.306 1.00 0.00 C ATOM 1552 C CYS A 103 -0.446 -3.863 -8.634 1.00 0.00 C ATOM 1553 O CYS A 103 -1.378 -4.222 -7.926 1.00 0.00 O ATOM 1554 CB CYS A 103 1.097 -4.778 -6.856 1.00 0.00 C ATOM 1555 SG CYS A 103 2.570 -5.811 -6.666 1.00 0.00 S ATOM 0 H CYS A 103 1.525 -2.208 -8.176 1.00 0.00 H new ATOM 0 HA CYS A 103 1.302 -5.077 -8.990 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.142 -3.931 -6.171 1.00 0.00 H new ATOM 0 HB3 CYS A 103 0.204 -5.348 -6.599 1.00 0.00 H new ATOM 1560 N ASN A 104 -0.644 -3.089 -9.696 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.018 -2.618 -10.086 1.00 0.00 C ATOM 1562 C ASN A 104 -3.067 -3.733 -9.981 1.00 0.00 C ATOM 1563 O ASN A 104 -3.987 -3.632 -9.184 1.00 0.00 O ATOM 1564 CB ASN A 104 -1.979 -2.116 -11.534 1.00 0.00 C ATOM 1565 CG ASN A 104 -3.348 -1.563 -11.978 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -4.296 -1.521 -11.214 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -3.486 -1.133 -13.200 1.00 0.00 N ATOM 0 H ASN A 104 0.102 -2.765 -10.311 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.303 -1.823 -9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.223 -1.337 -11.630 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.683 -2.931 -12.195 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.384 -0.764 -13.512 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.696 -1.166 -13.844 1.00 0.00 H new ATOM 1574 N LEU A 105 -2.949 -4.777 -10.790 1.00 0.00 N ATOM 1575 CA LEU A 105 -3.962 -5.898 -10.769 1.00 0.00 C ATOM 1576 C LEU A 105 -5.399 -5.312 -10.742 1.00 0.00 C ATOM 1577 O LEU A 105 -6.313 -5.908 -10.191 1.00 0.00 O ATOM 1578 CB LEU A 105 -3.726 -6.768 -9.525 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.299 -7.324 -9.543 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -1.784 -7.472 -8.110 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -2.293 -8.695 -10.223 1.00 0.00 C ATOM 0 H LEU A 105 -2.193 -4.899 -11.464 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.850 -6.508 -11.666 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.885 -6.178 -8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.445 -7.587 -9.501 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.655 -6.638 -10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.769 -7.868 -8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.786 -6.498 -7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.431 -8.156 -7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.277 -9.090 -10.236 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.941 -9.377 -9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.656 -8.595 -11.246 1.00 0.00 H new ATOM 1593 N ALA A 106 -5.586 -4.129 -11.320 1.00 0.00 N ATOM 1594 CA ALA A 106 -6.925 -3.458 -11.325 1.00 0.00 C ATOM 1595 C ALA A 106 -7.278 -3.065 -9.893 1.00 0.00 C ATOM 1596 O ALA A 106 -6.745 -3.618 -8.946 1.00 0.00 O ATOM 1597 CB ALA A 106 -7.992 -4.405 -11.888 1.00 0.00 C ATOM 0 H ALA A 106 -4.850 -3.603 -11.791 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.889 -2.570 -11.956 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.960 -3.905 -11.886 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.730 -4.683 -12.909 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.046 -5.301 -11.270 1.00 0.00 H new ATOM 1603 N THR A 107 -8.159 -2.105 -9.738 1.00 0.00 N ATOM 1604 CA THR A 107 -8.561 -1.636 -8.367 1.00 0.00 C ATOM 1605 C THR A 107 -10.098 -1.648 -8.293 1.00 0.00 C ATOM 1606 O THR A 107 -10.751 -2.236 -9.144 1.00 0.00 O ATOM 1607 CB THR A 107 -8.017 -0.198 -8.127 1.00 0.00 C ATOM 1608 OG1 THR A 107 -8.880 0.771 -8.716 1.00 0.00 O ATOM 1609 CG2 THR A 107 -6.641 -0.046 -8.772 1.00 0.00 C ATOM 0 H THR A 107 -8.622 -1.621 -10.507 1.00 0.00 H new ATOM 0 HA THR A 107 -8.148 -2.290 -7.599 1.00 0.00 H new ATOM 0 HB THR A 107 -7.958 -0.041 -7.050 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.371 1.584 -8.916 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.268 0.963 -8.599 1.00 0.00 H new ATOM 0 HG22 THR A 107 -5.952 -0.768 -8.334 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.720 -0.225 -9.844 1.00 0.00 H new ATOM 1617 N ILE A 108 -10.677 -0.979 -7.315 1.00 0.00 N ATOM 1618 CA ILE A 108 -12.172 -0.918 -7.224 1.00 0.00 C ATOM 1619 C ILE A 108 -12.678 -0.084 -8.412 1.00 0.00 C ATOM 1620 O ILE A 108 -13.743 -0.328 -8.951 1.00 0.00 O ATOM 1621 CB ILE A 108 -12.601 -0.271 -5.897 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -14.129 -0.270 -5.807 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -12.091 1.172 -5.817 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -14.558 0.046 -4.374 1.00 0.00 C ATOM 0 H ILE A 108 -10.178 -0.476 -6.581 1.00 0.00 H new ATOM 0 HA ILE A 108 -12.595 -1.922 -7.256 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.177 -0.843 -5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -14.543 0.469 -6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -14.522 -1.241 -6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.403 1.616 -4.872 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.003 1.177 -5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.504 1.750 -6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -15.646 0.046 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.156 -0.710 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -14.178 1.027 -4.088 1.00 0.00 H new ATOM 1636 N HIS A 109 -11.891 0.900 -8.807 1.00 0.00 N ATOM 1637 CA HIS A 109 -12.248 1.795 -9.949 1.00 0.00 C ATOM 1638 C HIS A 109 -12.262 1.029 -11.293 1.00 0.00 C ATOM 1639 O HIS A 109 -12.617 1.602 -12.310 1.00 0.00 O ATOM 1640 CB HIS A 109 -11.203 2.919 -10.036 1.00 0.00 C ATOM 1641 CG HIS A 109 -11.297 3.813 -8.833 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -10.494 3.957 -7.726 1.00 0.00 N flip ATOM 1643 CD2 HIS A 109 -12.308 4.745 -8.690 1.00 0.00 C flip ATOM 1644 CE1 HIS A 109 -10.999 4.963 -6.912 1.00 0.00 C flip ATOM 1645 NE2 HIS A 109 -12.089 5.403 -7.541 1.00 0.00 N flip ATOM 0 H HIS A 109 -10.996 1.119 -8.369 1.00 0.00 H new ATOM 0 HA HIS A 109 -13.247 2.194 -9.772 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -10.203 2.491 -10.102 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -11.360 3.502 -10.944 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -9.656 3.409 -7.532 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -13.124 4.913 -9.377 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -10.596 5.313 -5.973 1.00 0.00 H new ATOM 1653 N GLY A 110 -11.880 -0.243 -11.317 1.00 0.00 N ATOM 1654 CA GLY A 110 -11.870 -1.020 -12.599 1.00 0.00 C ATOM 1655 C GLY A 110 -10.899 -0.369 -13.590 1.00 0.00 C ATOM 1656 O GLY A 110 -11.194 -0.261 -14.770 1.00 0.00 O ATOM 0 H GLY A 110 -11.576 -0.768 -10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.573 -2.051 -12.408 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.873 -1.051 -13.025 1.00 0.00 H new ATOM 1660 N GLY A 111 -9.745 0.062 -13.114 1.00 0.00 N ATOM 1661 CA GLY A 111 -8.732 0.712 -14.010 1.00 0.00 C ATOM 1662 C GLY A 111 -7.436 0.998 -13.225 1.00 0.00 C ATOM 1663 O GLY A 111 -7.419 0.845 -12.017 1.00 0.00 O ATOM 0 H GLY A 111 -9.464 -0.011 -12.136 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.516 0.063 -14.859 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.135 1.641 -14.413 1.00 0.00 H new ATOM 1667 N PRO A 112 -6.381 1.403 -13.932 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.075 1.715 -13.307 1.00 0.00 C ATOM 1669 C PRO A 112 -5.092 3.100 -12.631 1.00 0.00 C ATOM 1670 O PRO A 112 -4.519 4.058 -13.134 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.089 1.693 -14.488 1.00 0.00 C ATOM 1672 CG PRO A 112 -4.928 1.919 -15.766 1.00 0.00 C ATOM 1673 CD PRO A 112 -6.389 1.582 -15.408 1.00 0.00 C ATOM 0 HA PRO A 112 -4.811 1.009 -12.520 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.334 2.471 -14.377 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -3.561 0.741 -14.534 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -4.842 2.951 -16.107 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -4.573 1.284 -16.578 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.065 2.383 -15.707 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.723 0.677 -15.915 1.00 0.00 H new ATOM 1681 N PHE A 113 -5.721 3.197 -11.479 1.00 0.00 N ATOM 1682 CA PHE A 113 -5.756 4.500 -10.734 1.00 0.00 C ATOM 1683 C PHE A 113 -6.573 4.358 -9.445 1.00 0.00 C ATOM 1684 O PHE A 113 -7.419 3.486 -9.333 1.00 0.00 O ATOM 1685 CB PHE A 113 -6.340 5.627 -11.604 1.00 0.00 C ATOM 1686 CG PHE A 113 -7.689 5.251 -12.187 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -7.754 4.564 -13.405 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -8.875 5.622 -11.532 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -8.993 4.250 -13.973 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -10.116 5.299 -12.100 1.00 0.00 C ATOM 1691 CZ PHE A 113 -10.174 4.615 -13.322 1.00 0.00 C ATOM 0 H PHE A 113 -6.212 2.428 -11.023 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.729 4.763 -10.479 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -6.443 6.532 -11.005 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.647 5.858 -12.413 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.843 4.275 -13.908 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.831 6.155 -10.593 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -9.037 3.725 -14.916 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.029 5.578 -11.595 1.00 0.00 H new ATOM 0 HZ PHE A 113 -11.130 4.370 -13.760 1.00 0.00 H new ATOM 1701 N CYS A 114 -6.312 5.216 -8.473 1.00 0.00 N ATOM 1702 CA CYS A 114 -7.044 5.169 -7.169 1.00 0.00 C ATOM 1703 C CYS A 114 -6.483 6.267 -6.258 1.00 0.00 C ATOM 1704 O CYS A 114 -5.367 6.724 -6.458 1.00 0.00 O ATOM 1705 CB CYS A 114 -6.818 3.810 -6.501 1.00 0.00 C ATOM 1706 SG CYS A 114 -8.156 3.465 -5.327 1.00 0.00 S ATOM 0 H CYS A 114 -5.611 5.954 -8.537 1.00 0.00 H new ATOM 0 HA CYS A 114 -8.110 5.318 -7.338 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -6.776 3.026 -7.257 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -5.859 3.805 -5.983 1.00 0.00 H new ATOM 1711 N LEU A 115 -7.237 6.689 -5.259 1.00 0.00 N ATOM 1712 CA LEU A 115 -6.751 7.757 -4.324 1.00 0.00 C ATOM 1713 C LEU A 115 -6.352 9.013 -5.123 1.00 0.00 C ATOM 1714 O LEU A 115 -5.575 9.829 -4.651 1.00 0.00 O ATOM 1715 CB LEU A 115 -5.532 7.222 -3.550 1.00 0.00 C ATOM 1716 CG LEU A 115 -5.842 7.180 -2.051 1.00 0.00 C ATOM 1717 CD1 LEU A 115 -6.773 6.003 -1.756 1.00 0.00 C ATOM 1718 CD2 LEU A 115 -4.539 7.004 -1.268 1.00 0.00 C ATOM 0 H LEU A 115 -8.171 6.335 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.545 8.024 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.275 6.224 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.666 7.858 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.325 8.111 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.994 5.972 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.701 6.124 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.289 5.073 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.757 6.974 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.058 6.072 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.872 7.840 -1.479 1.00 0.00 H new ATOM 1730 N SER A 116 -6.879 9.167 -6.325 1.00 0.00 N ATOM 1731 CA SER A 116 -6.542 10.358 -7.167 1.00 0.00 C ATOM 1732 C SER A 116 -7.609 10.543 -8.250 1.00 0.00 C ATOM 1733 O SER A 116 -8.375 11.493 -8.212 1.00 0.00 O ATOM 1734 CB SER A 116 -5.173 10.146 -7.820 1.00 0.00 C ATOM 1735 OG SER A 116 -4.429 11.356 -7.756 1.00 0.00 O ATOM 0 H SER A 116 -7.531 8.511 -6.755 1.00 0.00 H new ATOM 0 HA SER A 116 -6.511 11.250 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 116 -4.634 9.347 -7.311 1.00 0.00 H new ATOM 0 HB3 SER A 116 -5.296 9.836 -8.858 1.00 0.00 H new ATOM 0 HG SER A 116 -3.552 11.223 -8.172 1.00 0.00 H new ATOM 1741 N LEU A 117 -7.656 9.642 -9.212 1.00 0.00 N ATOM 1742 CA LEU A 117 -8.664 9.746 -10.318 1.00 0.00 C ATOM 1743 C LEU A 117 -8.456 11.080 -11.068 1.00 0.00 C ATOM 1744 O LEU A 117 -9.395 11.652 -11.594 1.00 0.00 O ATOM 1745 CB LEU A 117 -10.079 9.688 -9.717 1.00 0.00 C ATOM 1746 CG LEU A 117 -10.934 8.682 -10.499 1.00 0.00 C ATOM 1747 CD1 LEU A 117 -12.163 8.302 -9.675 1.00 0.00 C ATOM 1748 CD2 LEU A 117 -11.388 9.313 -11.814 1.00 0.00 C ATOM 0 H LEU A 117 -7.034 8.836 -9.276 1.00 0.00 H new ATOM 0 HA LEU A 117 -8.541 8.920 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.027 9.397 -8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.540 10.675 -9.752 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.342 7.790 -10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -12.768 7.588 -10.233 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -11.845 7.852 -8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -12.753 9.195 -9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -11.995 8.599 -12.370 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -11.978 10.205 -11.605 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -10.515 9.586 -12.407 1.00 0.00 H new ATOM 1760 N LEU A 118 -7.221 11.570 -11.099 1.00 0.00 N ATOM 1761 CA LEU A 118 -6.876 12.864 -11.795 1.00 0.00 C ATOM 1762 C LEU A 118 -7.302 14.117 -11.003 1.00 0.00 C ATOM 1763 O LEU A 118 -6.789 15.194 -11.265 1.00 0.00 O ATOM 1764 CB LEU A 118 -7.467 12.925 -13.212 1.00 0.00 C ATOM 1765 CG LEU A 118 -6.549 12.187 -14.184 1.00 0.00 C ATOM 1766 CD1 LEU A 118 -7.275 11.988 -15.515 1.00 0.00 C ATOM 1767 CD2 LEU A 118 -5.280 13.014 -14.414 1.00 0.00 C ATOM 0 H LEU A 118 -6.423 11.112 -10.659 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.788 12.870 -11.859 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.460 12.476 -13.222 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.584 13.963 -13.524 1.00 0.00 H new ATOM 0 HG LEU A 118 -6.280 11.217 -13.767 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.622 11.461 -16.211 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.179 11.402 -15.352 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.542 12.959 -15.932 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -4.624 12.488 -15.108 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.549 13.984 -14.833 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.763 13.159 -13.465 1.00 0.00 H new ATOM 1779 N GLY A 119 -8.210 14.006 -10.051 1.00 0.00 N ATOM 1780 CA GLY A 119 -8.639 15.204 -9.258 1.00 0.00 C ATOM 1781 C GLY A 119 -10.169 15.285 -9.217 1.00 0.00 C ATOM 1782 O GLY A 119 -10.853 14.479 -9.827 1.00 0.00 O ATOM 0 H GLY A 119 -8.670 13.133 -9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.243 15.141 -8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.230 16.111 -9.704 1.00 0.00 H new ATOM 1786 N ALA A 120 -10.701 16.256 -8.500 1.00 0.00 N ATOM 1787 CA ALA A 120 -12.185 16.419 -8.395 1.00 0.00 C ATOM 1788 C ALA A 120 -12.652 17.491 -9.392 1.00 0.00 C ATOM 1789 O ALA A 120 -13.473 18.344 -9.081 1.00 0.00 O ATOM 1790 CB ALA A 120 -12.544 16.825 -6.963 1.00 0.00 C ATOM 0 H ALA A 120 -10.160 16.947 -7.980 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.684 15.479 -8.633 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -13.624 16.946 -6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -12.210 16.052 -6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.054 17.767 -6.718 1.00 0.00 H new ATOM 1796 N GLY A 121 -12.131 17.433 -10.598 1.00 0.00 N ATOM 1797 CA GLY A 121 -12.517 18.420 -11.657 1.00 0.00 C ATOM 1798 C GLY A 121 -13.652 17.848 -12.516 1.00 0.00 C ATOM 1799 O GLY A 121 -13.816 18.233 -13.662 1.00 0.00 O ATOM 0 H GLY A 121 -11.448 16.736 -10.895 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -12.834 19.355 -11.196 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.655 18.650 -12.284 1.00 0.00 H new ATOM 1803 N GLU A 122 -14.434 16.936 -11.965 1.00 0.00 N ATOM 1804 CA GLU A 122 -15.568 16.328 -12.733 1.00 0.00 C ATOM 1805 C GLU A 122 -16.887 16.946 -12.268 1.00 0.00 C ATOM 1806 O GLU A 122 -17.737 17.182 -13.110 1.00 0.00 O ATOM 1807 CB GLU A 122 -15.599 14.816 -12.488 1.00 0.00 C ATOM 1808 CG GLU A 122 -14.661 14.109 -13.478 1.00 0.00 C ATOM 1809 CD GLU A 122 -15.383 12.919 -14.117 1.00 0.00 C ATOM 1810 OE1 GLU A 122 -16.458 13.124 -14.658 1.00 0.00 O ATOM 1811 OE2 GLU A 122 -14.850 11.824 -14.053 1.00 0.00 O ATOM 1812 OXT GLU A 122 -17.024 17.175 -11.078 1.00 0.00 O ATOM 0 H GLU A 122 -14.330 16.589 -11.011 1.00 0.00 H new ATOM 0 HA GLU A 122 -15.431 16.521 -13.797 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -15.294 14.598 -11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -16.616 14.440 -12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -14.339 14.808 -14.250 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -13.764 13.767 -12.962 1.00 0.00 H new TER 1819 GLU A 122