USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 864 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 Single : A 1 GLY N :NH3+ -121:sc= 0.0778 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 12:sc= 0.185! USER MOD Single : A 6 SER OG : rot 180:sc= -0.024 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00564) USER MOD Single : A 32 HIS : no HD1:sc= -6.27! C(o=-6.3!,f=-6.7!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.4) USER MOD Single : A 47 ASN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.0449 (180deg=-0.0762) USER MOD Single : A 54 LYS NZ :NH3+ -132:sc= -1.71! (180deg=-4.12!) USER MOD Single : A 55 ASN : amide:sc= -16.6! C(o=-17!,f=-21!) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0446) USER MOD Single : A 66 GLN : amide:sc= -0.999 X(o=-1,f=-1.2) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 79 ASN : amide:sc= -1.16 K(o=-1.2,f=-1.8!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.446 K(o=-0.45,f=-1.4) USER MOD Single : A 94 GLN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.0125 X(o=-0.013,f=-0.014) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -170:sc= -0.113 USER MOD Single : A 104 THR OG1 : rot -25:sc= 0.101 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 109 SER OG : rot 28:sc= 0.795 USER MOD Single : A 112 SER OG : rot 27:sc= 0.365 USER MOD Single : A 113 SER OG : rot 53:sc= 0.0268 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.365 28.442 -9.928 1.00 0.00 N ATOM 2 CA GLY A 1 5.488 28.470 -10.847 1.00 0.00 C ATOM 3 C GLY A 1 5.071 28.202 -12.279 1.00 0.00 C ATOM 4 O GLY A 1 3.880 28.164 -12.590 1.00 0.00 O ATOM 0 H1 GLY A 1 4.290 29.359 -9.444 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.489 28.257 -10.456 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.511 27.690 -9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.976 29.443 -10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.223 27.726 -10.540 1.00 0.00 H new ATOM 8 N SER A 2 6.054 28.018 -13.155 1.00 0.00 N ATOM 9 CA SER A 2 5.783 27.759 -14.564 1.00 0.00 C ATOM 10 C SER A 2 5.911 26.271 -14.877 1.00 0.00 C ATOM 11 O SER A 2 6.665 25.551 -14.224 1.00 0.00 O ATOM 12 CB SER A 2 6.742 28.561 -15.446 1.00 0.00 C ATOM 13 OG SER A 2 6.439 29.945 -15.401 1.00 0.00 O ATOM 0 H SER A 2 7.045 28.044 -12.914 1.00 0.00 H new ATOM 0 HA SER A 2 4.760 28.071 -14.775 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.768 28.399 -15.114 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.679 28.205 -16.474 1.00 0.00 H new ATOM 0 HG SER A 2 7.067 30.436 -15.971 1.00 0.00 H new ATOM 19 N SER A 3 5.168 25.818 -15.882 1.00 0.00 N ATOM 20 CA SER A 3 5.194 24.415 -16.280 1.00 0.00 C ATOM 21 C SER A 3 5.458 24.281 -17.777 1.00 0.00 C ATOM 22 O SER A 3 4.950 25.061 -18.581 1.00 0.00 O ATOM 23 CB SER A 3 3.871 23.736 -15.921 1.00 0.00 C ATOM 24 OG SER A 3 3.604 23.842 -14.533 1.00 0.00 O ATOM 0 H SER A 3 4.541 26.402 -16.435 1.00 0.00 H new ATOM 0 HA SER A 3 6.004 23.924 -15.740 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.059 24.193 -16.487 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.908 22.685 -16.208 1.00 0.00 H new ATOM 0 HG SER A 3 2.752 23.402 -14.329 1.00 0.00 H new ATOM 30 N GLY A 4 6.257 23.283 -18.143 1.00 0.00 N ATOM 31 CA GLY A 4 6.576 23.063 -19.542 1.00 0.00 C ATOM 32 C GLY A 4 7.366 21.789 -19.763 1.00 0.00 C ATOM 33 O GLY A 4 8.592 21.821 -19.866 1.00 0.00 O ATOM 0 H GLY A 4 6.689 22.623 -17.496 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.653 23.019 -20.119 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.147 23.911 -19.919 1.00 0.00 H new ATOM 37 N SER A 5 6.663 20.663 -19.835 1.00 0.00 N ATOM 38 CA SER A 5 7.308 19.371 -20.040 1.00 0.00 C ATOM 39 C SER A 5 6.269 18.268 -20.217 1.00 0.00 C ATOM 40 O SER A 5 5.357 18.122 -19.403 1.00 0.00 O ATOM 41 CB SER A 5 8.222 19.041 -18.858 1.00 0.00 C ATOM 42 OG SER A 5 7.473 18.587 -17.744 1.00 0.00 O ATOM 0 H SER A 5 5.647 20.619 -19.754 1.00 0.00 H new ATOM 0 HA SER A 5 7.907 19.431 -20.948 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.941 18.276 -19.153 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.794 19.926 -18.579 1.00 0.00 H new ATOM 0 HG SER A 5 6.553 18.398 -18.024 1.00 0.00 H new ATOM 48 N SER A 6 6.415 17.493 -21.287 1.00 0.00 N ATOM 49 CA SER A 6 5.488 16.405 -21.575 1.00 0.00 C ATOM 50 C SER A 6 5.648 15.273 -20.564 1.00 0.00 C ATOM 51 O SER A 6 4.664 14.718 -20.077 1.00 0.00 O ATOM 52 CB SER A 6 5.715 15.874 -22.992 1.00 0.00 C ATOM 53 OG SER A 6 7.018 15.333 -23.131 1.00 0.00 O ATOM 0 H SER A 6 7.166 17.598 -21.969 1.00 0.00 H new ATOM 0 HA SER A 6 4.473 16.796 -21.500 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.974 15.108 -23.220 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.573 16.679 -23.713 1.00 0.00 H new ATOM 0 HG SER A 6 7.138 14.999 -24.044 1.00 0.00 H new ATOM 59 N GLY A 7 6.896 14.938 -20.254 1.00 0.00 N ATOM 60 CA GLY A 7 7.164 13.874 -19.303 1.00 0.00 C ATOM 61 C GLY A 7 8.310 12.983 -19.738 1.00 0.00 C ATOM 62 O GLY A 7 8.091 11.884 -20.248 1.00 0.00 O ATOM 0 H GLY A 7 7.727 15.384 -20.644 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.395 14.309 -18.331 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.266 13.270 -19.176 1.00 0.00 H new ATOM 66 N MET A 8 9.535 13.457 -19.537 1.00 0.00 N ATOM 67 CA MET A 8 10.720 12.694 -19.913 1.00 0.00 C ATOM 68 C MET A 8 11.374 12.066 -18.686 1.00 0.00 C ATOM 69 O MET A 8 12.586 11.855 -18.657 1.00 0.00 O ATOM 70 CB MET A 8 11.724 13.595 -20.635 1.00 0.00 C ATOM 71 CG MET A 8 11.531 13.634 -22.142 1.00 0.00 C ATOM 72 SD MET A 8 12.374 12.283 -22.987 1.00 0.00 S ATOM 73 CE MET A 8 12.602 12.991 -24.616 1.00 0.00 C ATOM 0 H MET A 8 9.733 14.365 -19.116 1.00 0.00 H new ATOM 0 HA MET A 8 10.409 11.895 -20.586 1.00 0.00 H new ATOM 0 HB2 MET A 8 11.641 14.607 -20.240 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.734 13.249 -20.415 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.466 13.590 -22.369 1.00 0.00 H new ATOM 0 HG3 MET A 8 11.900 14.585 -22.527 1.00 0.00 H new ATOM 0 HE1 MET A 8 13.112 12.272 -25.257 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.631 13.235 -25.046 1.00 0.00 H new ATOM 0 HE3 MET A 8 13.202 13.898 -24.538 1.00 0.00 H new ATOM 83 N ALA A 9 10.563 11.769 -17.676 1.00 0.00 N ATOM 84 CA ALA A 9 11.063 11.164 -16.448 1.00 0.00 C ATOM 85 C ALA A 9 11.364 9.683 -16.650 1.00 0.00 C ATOM 86 O ALA A 9 10.821 9.046 -17.552 1.00 0.00 O ATOM 87 CB ALA A 9 10.058 11.351 -15.320 1.00 0.00 C ATOM 0 H ALA A 9 9.557 11.938 -17.684 1.00 0.00 H new ATOM 0 HA ALA A 9 11.993 11.664 -16.178 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.444 10.894 -14.409 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.894 12.415 -15.151 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.114 10.877 -15.591 1.00 0.00 H new ATOM 93 N ALA A 10 12.234 9.140 -15.804 1.00 0.00 N ATOM 94 CA ALA A 10 12.607 7.733 -15.889 1.00 0.00 C ATOM 95 C ALA A 10 11.899 6.912 -14.817 1.00 0.00 C ATOM 96 O ALA A 10 11.546 7.413 -13.749 1.00 0.00 O ATOM 97 CB ALA A 10 14.115 7.579 -15.765 1.00 0.00 C ATOM 0 H ALA A 10 12.694 9.653 -15.052 1.00 0.00 H new ATOM 0 HA ALA A 10 12.294 7.357 -16.863 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.380 6.524 -15.830 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.604 8.126 -16.571 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.444 7.977 -14.805 1.00 0.00 H new ATOM 103 N PRO A 11 11.684 5.620 -15.106 1.00 0.00 N ATOM 104 CA PRO A 11 11.015 4.702 -14.179 1.00 0.00 C ATOM 105 C PRO A 11 11.871 4.387 -12.957 1.00 0.00 C ATOM 106 O PRO A 11 13.076 4.156 -13.073 1.00 0.00 O ATOM 107 CB PRO A 11 10.801 3.441 -15.021 1.00 0.00 C ATOM 108 CG PRO A 11 11.864 3.497 -16.064 1.00 0.00 C ATOM 109 CD PRO A 11 12.077 4.956 -16.360 1.00 0.00 C ATOM 0 HA PRO A 11 10.094 5.126 -13.779 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.889 2.540 -14.414 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.807 3.428 -15.469 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.784 3.032 -15.709 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.560 2.957 -16.961 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.115 5.166 -16.618 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.466 5.289 -17.199 1.00 0.00 H new ATOM 117 N LEU A 12 11.243 4.379 -11.787 1.00 0.00 N ATOM 118 CA LEU A 12 11.947 4.092 -10.542 1.00 0.00 C ATOM 119 C LEU A 12 11.613 2.692 -10.038 1.00 0.00 C ATOM 120 O LEU A 12 10.570 2.132 -10.376 1.00 0.00 O ATOM 121 CB LEU A 12 11.586 5.129 -9.477 1.00 0.00 C ATOM 122 CG LEU A 12 10.100 5.260 -9.145 1.00 0.00 C ATOM 123 CD1 LEU A 12 9.694 4.233 -8.100 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.783 6.668 -8.662 1.00 0.00 C ATOM 0 H LEU A 12 10.247 4.568 -11.674 1.00 0.00 H new ATOM 0 HA LEU A 12 13.018 4.142 -10.740 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.122 4.881 -8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.951 6.102 -9.807 1.00 0.00 H new ATOM 0 HG LEU A 12 9.527 5.071 -10.053 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.633 4.342 -7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.883 3.230 -8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.274 4.390 -7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.721 6.743 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.366 6.885 -7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.035 7.386 -9.442 1.00 0.00 H new ATOM 136 N CYS A 13 12.505 2.133 -9.227 1.00 0.00 N ATOM 137 CA CYS A 13 12.304 0.798 -8.675 1.00 0.00 C ATOM 138 C CYS A 13 12.216 0.846 -7.153 1.00 0.00 C ATOM 139 O CYS A 13 13.127 1.334 -6.483 1.00 0.00 O ATOM 140 CB CYS A 13 13.442 -0.131 -9.103 1.00 0.00 C ATOM 141 SG CYS A 13 13.617 -0.306 -10.894 1.00 0.00 S ATOM 0 H CYS A 13 13.373 2.583 -8.938 1.00 0.00 H new ATOM 0 HA CYS A 13 11.362 0.410 -9.063 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.379 0.246 -8.692 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.276 -1.116 -8.667 1.00 0.00 H new ATOM 0 HG CYS A 13 14.606 -1.108 -11.157 1.00 0.00 H new ATOM 147 N VAL A 14 11.113 0.339 -6.612 1.00 0.00 N ATOM 148 CA VAL A 14 10.905 0.325 -5.169 1.00 0.00 C ATOM 149 C VAL A 14 10.631 -1.088 -4.667 1.00 0.00 C ATOM 150 O VAL A 14 9.917 -1.860 -5.309 1.00 0.00 O ATOM 151 CB VAL A 14 9.735 1.240 -4.762 1.00 0.00 C ATOM 152 CG1 VAL A 14 10.035 2.686 -5.126 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.443 0.774 -5.415 1.00 0.00 C ATOM 0 H VAL A 14 10.349 -0.068 -7.152 1.00 0.00 H new ATOM 0 HA VAL A 14 11.822 0.697 -4.713 1.00 0.00 H new ATOM 0 HB VAL A 14 9.611 1.182 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.197 3.317 -4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.936 3.013 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.188 2.766 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.627 1.432 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.553 0.801 -6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.222 -0.245 -5.098 1.00 0.00 H new ATOM 163 N LYS A 15 11.201 -1.422 -3.514 1.00 0.00 N ATOM 164 CA LYS A 15 11.017 -2.742 -2.923 1.00 0.00 C ATOM 165 C LYS A 15 9.923 -2.714 -1.860 1.00 0.00 C ATOM 166 O LYS A 15 10.087 -2.109 -0.801 1.00 0.00 O ATOM 167 CB LYS A 15 12.328 -3.234 -2.307 1.00 0.00 C ATOM 168 CG LYS A 15 13.259 -3.897 -3.308 1.00 0.00 C ATOM 169 CD LYS A 15 14.685 -3.960 -2.786 1.00 0.00 C ATOM 170 CE LYS A 15 15.391 -2.620 -2.928 1.00 0.00 C ATOM 171 NZ LYS A 15 16.035 -2.471 -4.262 1.00 0.00 N ATOM 0 H LYS A 15 11.795 -0.796 -2.970 1.00 0.00 H new ATOM 0 HA LYS A 15 10.714 -3.428 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.843 -2.390 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.102 -3.942 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.905 -4.905 -3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.238 -3.344 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.677 -4.259 -1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.240 -4.724 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.673 -1.814 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.146 -2.523 -2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.505 -1.545 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.739 -3.225 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.312 -2.538 -5.006 1.00 0.00 H new ATOM 185 N VAL A 16 8.806 -3.374 -2.150 1.00 0.00 N ATOM 186 CA VAL A 16 7.686 -3.427 -1.218 1.00 0.00 C ATOM 187 C VAL A 16 7.650 -4.759 -0.477 1.00 0.00 C ATOM 188 O VAL A 16 7.815 -5.820 -1.079 1.00 0.00 O ATOM 189 CB VAL A 16 6.343 -3.220 -1.943 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.181 -3.413 -0.980 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.291 -1.841 -2.584 1.00 0.00 C ATOM 0 H VAL A 16 8.653 -3.879 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 16 7.832 -2.619 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 16 6.257 -3.966 -2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.240 -3.263 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.210 -4.423 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.259 -2.691 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.335 -1.712 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.399 -1.077 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.102 -1.745 -3.306 1.00 0.00 H new ATOM 201 N GLU A 17 7.433 -4.696 0.833 1.00 0.00 N ATOM 202 CA GLU A 17 7.377 -5.898 1.656 1.00 0.00 C ATOM 203 C GLU A 17 6.097 -5.928 2.487 1.00 0.00 C ATOM 204 O GLU A 17 5.747 -4.948 3.145 1.00 0.00 O ATOM 205 CB GLU A 17 8.597 -5.970 2.577 1.00 0.00 C ATOM 206 CG GLU A 17 8.902 -7.374 3.073 1.00 0.00 C ATOM 207 CD GLU A 17 9.578 -7.378 4.430 1.00 0.00 C ATOM 208 OE1 GLU A 17 8.877 -7.171 5.442 1.00 0.00 O ATOM 209 OE2 GLU A 17 10.808 -7.589 4.480 1.00 0.00 O ATOM 0 H GLU A 17 7.293 -3.826 1.347 1.00 0.00 H new ATOM 0 HA GLU A 17 7.380 -6.763 0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.467 -5.585 2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.433 -5.318 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.975 -7.944 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.543 -7.880 2.350 1.00 0.00 H new ATOM 216 N PHE A 18 5.402 -7.060 2.451 1.00 0.00 N ATOM 217 CA PHE A 18 4.160 -7.219 3.199 1.00 0.00 C ATOM 218 C PHE A 18 4.358 -8.151 4.391 1.00 0.00 C ATOM 219 O PHE A 18 5.082 -9.142 4.305 1.00 0.00 O ATOM 220 CB PHE A 18 3.058 -7.765 2.288 1.00 0.00 C ATOM 221 CG PHE A 18 2.632 -6.801 1.218 1.00 0.00 C ATOM 222 CD1 PHE A 18 3.357 -6.685 0.043 1.00 0.00 C ATOM 223 CD2 PHE A 18 1.507 -6.010 1.388 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.967 -5.799 -0.944 1.00 0.00 C ATOM 225 CE2 PHE A 18 1.113 -5.123 0.405 1.00 0.00 C ATOM 226 CZ PHE A 18 1.844 -5.016 -0.762 1.00 0.00 C ATOM 0 H PHE A 18 5.678 -7.881 1.912 1.00 0.00 H new ATOM 0 HA PHE A 18 3.862 -6.239 3.572 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.408 -8.685 1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.192 -8.027 2.896 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.237 -7.294 -0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.932 -6.088 2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.540 -5.719 -1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.233 -4.513 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.538 -4.322 -1.530 1.00 0.00 H new ATOM 236 N GLY A 19 3.709 -7.824 5.504 1.00 0.00 N ATOM 237 CA GLY A 19 3.827 -8.640 6.698 1.00 0.00 C ATOM 238 C GLY A 19 3.441 -10.085 6.453 1.00 0.00 C ATOM 239 O GLY A 19 3.405 -10.541 5.311 1.00 0.00 O ATOM 0 H GLY A 19 3.104 -7.009 5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.853 -8.598 7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.193 -8.226 7.482 1.00 0.00 H new ATOM 243 N GLY A 20 3.152 -10.810 7.530 1.00 0.00 N ATOM 244 CA GLY A 20 2.773 -12.205 7.405 1.00 0.00 C ATOM 245 C GLY A 20 1.287 -12.383 7.161 1.00 0.00 C ATOM 246 O GLY A 20 0.495 -12.411 8.101 1.00 0.00 O ATOM 0 H GLY A 20 3.174 -10.456 8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.330 -12.657 6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.055 -12.738 8.313 1.00 0.00 H new ATOM 250 N GLY A 21 0.908 -12.501 5.892 1.00 0.00 N ATOM 251 CA GLY A 21 -0.492 -12.672 5.549 1.00 0.00 C ATOM 252 C GLY A 21 -0.860 -11.980 4.252 1.00 0.00 C ATOM 253 O GLY A 21 -1.159 -12.636 3.254 1.00 0.00 O ATOM 0 H GLY A 21 1.545 -12.481 5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.715 -13.736 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.111 -12.279 6.355 1.00 0.00 H new ATOM 257 N ALA A 22 -0.839 -10.652 4.265 1.00 0.00 N ATOM 258 CA ALA A 22 -1.174 -9.871 3.080 1.00 0.00 C ATOM 259 C ALA A 22 -0.407 -10.369 1.860 1.00 0.00 C ATOM 260 O ALA A 22 -0.929 -10.370 0.746 1.00 0.00 O ATOM 261 CB ALA A 22 -0.885 -8.396 3.322 1.00 0.00 C ATOM 0 H ALA A 22 -0.594 -10.094 5.083 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.239 -9.994 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.139 -7.824 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.482 -8.041 4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.173 -8.265 3.547 1.00 0.00 H new ATOM 267 N GLU A 23 0.835 -10.789 2.079 1.00 0.00 N ATOM 268 CA GLU A 23 1.674 -11.288 0.995 1.00 0.00 C ATOM 269 C GLU A 23 0.863 -12.151 0.032 1.00 0.00 C ATOM 270 O GLU A 23 0.983 -12.022 -1.187 1.00 0.00 O ATOM 271 CB GLU A 23 2.846 -12.096 1.557 1.00 0.00 C ATOM 272 CG GLU A 23 2.417 -13.262 2.432 1.00 0.00 C ATOM 273 CD GLU A 23 3.567 -13.846 3.230 1.00 0.00 C ATOM 274 OE1 GLU A 23 4.320 -14.669 2.669 1.00 0.00 O ATOM 275 OE2 GLU A 23 3.713 -13.480 4.415 1.00 0.00 O ATOM 0 H GLU A 23 1.282 -10.794 2.996 1.00 0.00 H new ATOM 0 HA GLU A 23 2.063 -10.430 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.445 -12.475 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.488 -11.434 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.636 -12.930 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.982 -14.041 1.806 1.00 0.00 H new ATOM 282 N LEU A 24 0.038 -13.031 0.588 1.00 0.00 N ATOM 283 CA LEU A 24 -0.794 -13.916 -0.220 1.00 0.00 C ATOM 284 C LEU A 24 -1.608 -13.122 -1.236 1.00 0.00 C ATOM 285 O LEU A 24 -1.710 -13.505 -2.402 1.00 0.00 O ATOM 286 CB LEU A 24 -1.729 -14.729 0.677 1.00 0.00 C ATOM 287 CG LEU A 24 -1.062 -15.506 1.813 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.110 -16.089 2.748 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.172 -16.607 1.255 1.00 0.00 C ATOM 0 H LEU A 24 -0.073 -13.151 1.595 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.137 -14.597 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.465 -14.051 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.276 -15.436 0.052 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.439 -14.816 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.617 -16.638 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.706 -15.282 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.759 -16.765 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.294 -17.150 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.774 -17.295 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.601 -16.166 0.626 1.00 0.00 H new ATOM 301 N LEU A 25 -2.185 -12.013 -0.786 1.00 0.00 N ATOM 302 CA LEU A 25 -2.989 -11.162 -1.656 1.00 0.00 C ATOM 303 C LEU A 25 -2.148 -10.603 -2.800 1.00 0.00 C ATOM 304 O LEU A 25 -2.676 -10.007 -3.739 1.00 0.00 O ATOM 305 CB LEU A 25 -3.605 -10.015 -0.853 1.00 0.00 C ATOM 306 CG LEU A 25 -4.790 -10.382 0.041 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.854 -9.458 1.248 1.00 0.00 C ATOM 308 CD2 LEU A 25 -6.090 -10.324 -0.747 1.00 0.00 C ATOM 0 H LEU A 25 -2.111 -11.682 0.176 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.788 -11.770 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.827 -9.576 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.928 -9.242 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.650 -11.402 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.703 -9.734 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.934 -9.549 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.971 -8.428 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.923 -10.588 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.237 -9.315 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.043 -11.027 -1.579 1.00 0.00 H new ATOM 320 N PHE A 26 -0.837 -10.802 -2.715 1.00 0.00 N ATOM 321 CA PHE A 26 0.077 -10.319 -3.744 1.00 0.00 C ATOM 322 C PHE A 26 1.093 -11.395 -4.117 1.00 0.00 C ATOM 323 O PHE A 26 2.179 -11.465 -3.543 1.00 0.00 O ATOM 324 CB PHE A 26 0.804 -9.062 -3.261 1.00 0.00 C ATOM 325 CG PHE A 26 -0.122 -7.985 -2.772 1.00 0.00 C ATOM 326 CD1 PHE A 26 -0.645 -8.032 -1.490 1.00 0.00 C ATOM 327 CD2 PHE A 26 -0.470 -6.927 -3.595 1.00 0.00 C ATOM 328 CE1 PHE A 26 -1.497 -7.043 -1.036 1.00 0.00 C ATOM 329 CE2 PHE A 26 -1.322 -5.934 -3.147 1.00 0.00 C ATOM 330 CZ PHE A 26 -1.836 -5.993 -1.867 1.00 0.00 C ATOM 0 H PHE A 26 -0.384 -11.294 -1.945 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.509 -10.074 -4.630 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.489 -9.334 -2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.410 -8.667 -4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.384 -8.852 -0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.072 -6.877 -4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.897 -7.091 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.585 -5.113 -3.798 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.502 -5.219 -1.516 1.00 0.00 H new ATOM 340 N ASP A 27 0.730 -12.232 -5.083 1.00 0.00 N ATOM 341 CA ASP A 27 1.609 -13.305 -5.535 1.00 0.00 C ATOM 342 C ASP A 27 2.274 -13.998 -4.349 1.00 0.00 C ATOM 343 O ASP A 27 3.356 -14.570 -4.479 1.00 0.00 O ATOM 344 CB ASP A 27 2.674 -12.755 -6.484 1.00 0.00 C ATOM 345 CG ASP A 27 3.124 -13.781 -7.506 1.00 0.00 C ATOM 346 OD1 ASP A 27 3.207 -14.975 -7.151 1.00 0.00 O ATOM 347 OD2 ASP A 27 3.393 -13.389 -8.661 1.00 0.00 O ATOM 0 H ASP A 27 -0.166 -12.188 -5.568 1.00 0.00 H new ATOM 0 HA ASP A 27 1.003 -14.038 -6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.279 -11.880 -7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.535 -12.421 -5.905 1.00 0.00 H new ATOM 352 N GLY A 28 1.620 -13.940 -3.193 1.00 0.00 N ATOM 353 CA GLY A 28 2.164 -14.565 -2.001 1.00 0.00 C ATOM 354 C GLY A 28 3.677 -14.485 -1.944 1.00 0.00 C ATOM 355 O GLY A 28 4.361 -15.508 -1.964 1.00 0.00 O ATOM 0 H GLY A 28 0.724 -13.472 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.744 -14.083 -1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.857 -15.610 -1.970 1.00 0.00 H new ATOM 359 N VAL A 29 4.202 -13.266 -1.876 1.00 0.00 N ATOM 360 CA VAL A 29 5.644 -13.056 -1.816 1.00 0.00 C ATOM 361 C VAL A 29 6.008 -12.045 -0.735 1.00 0.00 C ATOM 362 O VAL A 29 5.258 -11.106 -0.469 1.00 0.00 O ATOM 363 CB VAL A 29 6.195 -12.566 -3.168 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.627 -12.076 -3.015 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.111 -13.671 -4.210 1.00 0.00 C ATOM 0 H VAL A 29 3.650 -12.408 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 29 6.095 -14.019 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 29 5.584 -11.730 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.000 -11.734 -3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.655 -11.252 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.254 -12.891 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.505 -13.307 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.697 -14.528 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.071 -13.971 -4.340 1.00 0.00 H new ATOM 375 N LYS A 30 7.165 -12.244 -0.112 1.00 0.00 N ATOM 376 CA LYS A 30 7.632 -11.350 0.940 1.00 0.00 C ATOM 377 C LYS A 30 8.110 -10.024 0.356 1.00 0.00 C ATOM 378 O LYS A 30 7.621 -8.957 0.729 1.00 0.00 O ATOM 379 CB LYS A 30 8.764 -12.008 1.732 1.00 0.00 C ATOM 380 CG LYS A 30 8.346 -13.281 2.447 1.00 0.00 C ATOM 381 CD LYS A 30 7.521 -12.979 3.687 1.00 0.00 C ATOM 382 CE LYS A 30 7.595 -14.115 4.696 1.00 0.00 C ATOM 383 NZ LYS A 30 7.330 -13.643 6.083 1.00 0.00 N ATOM 0 H LYS A 30 7.797 -13.018 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 30 6.796 -11.151 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.586 -12.236 1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.144 -11.297 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.768 -13.908 1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.233 -13.849 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.878 -12.058 4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.482 -12.811 3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.871 -14.885 4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.582 -14.576 4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.390 -14.447 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.036 -12.927 6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.379 -13.226 6.132 1.00 0.00 H new ATOM 397 N LYS A 31 9.066 -10.099 -0.564 1.00 0.00 N ATOM 398 CA LYS A 31 9.608 -8.906 -1.203 1.00 0.00 C ATOM 399 C LYS A 31 9.123 -8.792 -2.644 1.00 0.00 C ATOM 400 O LYS A 31 9.234 -9.739 -3.423 1.00 0.00 O ATOM 401 CB LYS A 31 11.138 -8.935 -1.169 1.00 0.00 C ATOM 402 CG LYS A 31 11.720 -8.714 0.217 1.00 0.00 C ATOM 403 CD LYS A 31 13.234 -8.593 0.172 1.00 0.00 C ATOM 404 CE LYS A 31 13.671 -7.167 -0.130 1.00 0.00 C ATOM 405 NZ LYS A 31 13.566 -6.289 1.068 1.00 0.00 N ATOM 0 H LYS A 31 9.481 -10.974 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 31 9.255 -8.036 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.483 -9.896 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.523 -8.169 -1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.294 -7.810 0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.439 -9.543 0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.654 -8.909 1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.631 -9.265 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.700 -7.171 -0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.056 -6.761 -0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.385 -5.310 0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.784 -6.616 1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.456 -6.327 1.605 1.00 0.00 H new ATOM 419 N HIS A 32 8.587 -7.627 -2.993 1.00 0.00 N ATOM 420 CA HIS A 32 8.087 -7.390 -4.343 1.00 0.00 C ATOM 421 C HIS A 32 8.826 -6.228 -4.999 1.00 0.00 C ATOM 422 O HIS A 32 8.688 -5.078 -4.582 1.00 0.00 O ATOM 423 CB HIS A 32 6.585 -7.101 -4.310 1.00 0.00 C ATOM 424 CG HIS A 32 5.825 -7.991 -3.376 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.220 -9.163 -3.778 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.574 -7.876 -2.050 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.629 -9.729 -2.741 1.00 0.00 C ATOM 428 NE2 HIS A 32 4.829 -8.968 -1.680 1.00 0.00 N ATOM 0 H HIS A 32 8.488 -6.833 -2.361 1.00 0.00 H new ATOM 0 HA HIS A 32 8.263 -8.290 -4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.429 -6.063 -4.017 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.180 -7.212 -5.316 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.900 -7.074 -1.404 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.076 -10.657 -2.758 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.486 -9.160 -0.739 1.00 0.00 H new ATOM 437 N GLN A 33 9.609 -6.536 -6.028 1.00 0.00 N ATOM 438 CA GLN A 33 10.370 -5.517 -6.740 1.00 0.00 C ATOM 439 C GLN A 33 9.481 -4.758 -7.719 1.00 0.00 C ATOM 440 O GLN A 33 9.241 -5.214 -8.838 1.00 0.00 O ATOM 441 CB GLN A 33 11.543 -6.155 -7.487 1.00 0.00 C ATOM 442 CG GLN A 33 12.512 -5.144 -8.077 1.00 0.00 C ATOM 443 CD GLN A 33 13.334 -5.717 -9.214 1.00 0.00 C ATOM 444 OE1 GLN A 33 12.971 -5.589 -10.384 1.00 0.00 O ATOM 445 NE2 GLN A 33 14.449 -6.354 -8.876 1.00 0.00 N ATOM 0 H GLN A 33 9.733 -7.483 -6.387 1.00 0.00 H new ATOM 0 HA GLN A 33 10.757 -4.810 -6.006 1.00 0.00 H new ATOM 0 HB2 GLN A 33 12.085 -6.809 -6.804 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.154 -6.783 -8.288 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.954 -4.279 -8.437 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.181 -4.788 -7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.712 -6.436 -7.894 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.043 -6.761 -9.599 1.00 0.00 H new ATOM 454 N VAL A 34 8.994 -3.598 -7.291 1.00 0.00 N ATOM 455 CA VAL A 34 8.131 -2.775 -8.131 1.00 0.00 C ATOM 456 C VAL A 34 8.951 -1.826 -8.998 1.00 0.00 C ATOM 457 O VAL A 34 9.971 -1.294 -8.561 1.00 0.00 O ATOM 458 CB VAL A 34 7.142 -1.953 -7.283 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.131 -1.249 -8.175 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.441 -2.844 -6.269 1.00 0.00 C ATOM 0 H VAL A 34 9.182 -3.207 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 34 7.571 -3.455 -8.772 1.00 0.00 H new ATOM 0 HB VAL A 34 7.702 -1.193 -6.738 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.441 -0.673 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.653 -0.579 -8.858 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.574 -1.990 -8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.746 -2.247 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.893 -3.628 -6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.181 -3.297 -5.609 1.00 0.00 H new ATOM 470 N ALA A 35 8.497 -1.617 -10.229 1.00 0.00 N ATOM 471 CA ALA A 35 9.187 -0.730 -11.158 1.00 0.00 C ATOM 472 C ALA A 35 8.227 0.294 -11.754 1.00 0.00 C ATOM 473 O ALA A 35 7.698 0.100 -12.850 1.00 0.00 O ATOM 474 CB ALA A 35 9.854 -1.537 -12.262 1.00 0.00 C ATOM 0 H ALA A 35 7.654 -2.050 -10.607 1.00 0.00 H new ATOM 0 HA ALA A 35 9.955 -0.190 -10.604 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.365 -0.862 -12.948 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.577 -2.225 -11.824 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.098 -2.103 -12.806 1.00 0.00 H new ATOM 480 N LEU A 36 8.006 1.384 -11.028 1.00 0.00 N ATOM 481 CA LEU A 36 7.109 2.439 -11.485 1.00 0.00 C ATOM 482 C LEU A 36 7.649 3.103 -12.747 1.00 0.00 C ATOM 483 O LEU A 36 8.856 3.273 -12.922 1.00 0.00 O ATOM 484 CB LEU A 36 6.918 3.485 -10.386 1.00 0.00 C ATOM 485 CG LEU A 36 6.385 2.966 -9.050 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.434 4.060 -7.994 1.00 0.00 C ATOM 487 CD2 LEU A 36 4.966 2.441 -9.210 1.00 0.00 C ATOM 0 H LEU A 36 8.436 1.560 -10.120 1.00 0.00 H new ATOM 0 HA LEU A 36 6.145 1.987 -11.718 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.876 3.974 -10.207 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.234 4.249 -10.755 1.00 0.00 H new ATOM 0 HG LEU A 36 7.021 2.144 -8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.051 3.672 -7.050 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.464 4.390 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.822 4.903 -8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.603 2.076 -8.249 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.318 3.244 -9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.959 1.626 -9.934 1.00 0.00 H new ATOM 499 N PRO A 37 6.735 3.491 -13.649 1.00 0.00 N ATOM 500 CA PRO A 37 7.095 4.146 -14.910 1.00 0.00 C ATOM 501 C PRO A 37 7.629 5.559 -14.698 1.00 0.00 C ATOM 502 O PRO A 37 7.773 6.014 -13.564 1.00 0.00 O ATOM 503 CB PRO A 37 5.774 4.184 -15.681 1.00 0.00 C ATOM 504 CG PRO A 37 4.720 4.153 -14.628 1.00 0.00 C ATOM 505 CD PRO A 37 5.279 3.321 -13.507 1.00 0.00 C ATOM 0 HA PRO A 37 7.893 3.616 -15.431 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.698 5.084 -16.291 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.685 3.333 -16.356 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.481 5.160 -14.285 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.797 3.720 -15.013 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.927 3.667 -12.535 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.986 2.275 -13.598 1.00 0.00 H new ATOM 513 N GLY A 38 7.919 6.249 -15.797 1.00 0.00 N ATOM 514 CA GLY A 38 8.433 7.603 -15.709 1.00 0.00 C ATOM 515 C GLY A 38 7.425 8.636 -16.172 1.00 0.00 C ATOM 516 O GLY A 38 6.773 8.458 -17.200 1.00 0.00 O ATOM 0 H GLY A 38 7.807 5.894 -16.747 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.718 7.814 -14.678 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.337 7.685 -16.313 1.00 0.00 H new ATOM 520 N GLN A 39 7.297 9.719 -15.411 1.00 0.00 N ATOM 521 CA GLN A 39 6.360 10.783 -15.749 1.00 0.00 C ATOM 522 C GLN A 39 6.777 12.101 -15.105 1.00 0.00 C ATOM 523 O GLN A 39 7.597 12.121 -14.187 1.00 0.00 O ATOM 524 CB GLN A 39 4.946 10.408 -15.300 1.00 0.00 C ATOM 525 CG GLN A 39 4.895 9.771 -13.921 1.00 0.00 C ATOM 526 CD GLN A 39 3.557 9.968 -13.237 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.571 10.346 -13.871 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.514 9.712 -11.934 1.00 0.00 N ATOM 0 H GLN A 39 7.830 9.882 -14.557 1.00 0.00 H new ATOM 0 HA GLN A 39 6.369 10.910 -16.832 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.324 11.303 -15.301 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.514 9.719 -16.026 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.100 8.704 -14.010 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.683 10.196 -13.299 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.355 9.401 -11.447 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.640 9.827 -11.420 1.00 0.00 H new ATOM 537 N GLU A 40 6.208 13.199 -15.593 1.00 0.00 N ATOM 538 CA GLU A 40 6.524 14.521 -15.065 1.00 0.00 C ATOM 539 C GLU A 40 6.310 14.569 -13.555 1.00 0.00 C ATOM 540 O GLU A 40 7.081 15.195 -12.829 1.00 0.00 O ATOM 541 CB GLU A 40 5.662 15.586 -15.747 1.00 0.00 C ATOM 542 CG GLU A 40 4.171 15.400 -15.518 1.00 0.00 C ATOM 543 CD GLU A 40 3.327 16.204 -16.489 1.00 0.00 C ATOM 544 OE1 GLU A 40 3.414 17.449 -16.460 1.00 0.00 O ATOM 545 OE2 GLU A 40 2.580 15.587 -17.277 1.00 0.00 O ATOM 0 H GLU A 40 5.527 13.199 -16.352 1.00 0.00 H new ATOM 0 HA GLU A 40 7.574 14.726 -15.273 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.957 16.569 -15.381 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.861 15.571 -16.819 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.921 14.343 -15.614 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.924 15.694 -14.498 1.00 0.00 H new ATOM 552 N GLU A 41 5.257 13.903 -13.090 1.00 0.00 N ATOM 553 CA GLU A 41 4.942 13.871 -11.667 1.00 0.00 C ATOM 554 C GLU A 41 5.502 12.610 -11.014 1.00 0.00 C ATOM 555 O GLU A 41 5.406 11.507 -11.552 1.00 0.00 O ATOM 556 CB GLU A 41 3.428 13.938 -11.456 1.00 0.00 C ATOM 557 CG GLU A 41 2.791 15.200 -12.013 1.00 0.00 C ATOM 558 CD GLU A 41 1.428 15.481 -11.411 1.00 0.00 C ATOM 559 OE1 GLU A 41 1.295 15.380 -10.173 1.00 0.00 O ATOM 560 OE2 GLU A 41 0.495 15.800 -12.176 1.00 0.00 O ATOM 0 H GLU A 41 4.609 13.379 -13.678 1.00 0.00 H new ATOM 0 HA GLU A 41 5.406 14.739 -11.198 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.965 13.070 -11.926 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.215 13.874 -10.389 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.449 16.048 -11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.694 15.106 -13.095 1.00 0.00 H new ATOM 567 N PRO A 42 6.101 12.776 -9.826 1.00 0.00 N ATOM 568 CA PRO A 42 6.689 11.664 -9.073 1.00 0.00 C ATOM 569 C PRO A 42 5.630 10.717 -8.517 1.00 0.00 C ATOM 570 O PRO A 42 4.534 11.143 -8.152 1.00 0.00 O ATOM 571 CB PRO A 42 7.434 12.362 -7.932 1.00 0.00 C ATOM 572 CG PRO A 42 6.726 13.661 -7.756 1.00 0.00 C ATOM 573 CD PRO A 42 6.251 14.063 -9.125 1.00 0.00 C ATOM 0 HA PRO A 42 7.328 11.041 -9.699 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.405 11.768 -7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.485 12.514 -8.180 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.888 13.558 -7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.392 14.415 -7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.308 14.608 -9.079 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.970 14.712 -9.625 1.00 0.00 H new ATOM 581 N TRP A 43 5.965 9.434 -8.456 1.00 0.00 N ATOM 582 CA TRP A 43 5.043 8.427 -7.943 1.00 0.00 C ATOM 583 C TRP A 43 4.830 8.597 -6.443 1.00 0.00 C ATOM 584 O TRP A 43 5.691 8.236 -5.640 1.00 0.00 O ATOM 585 CB TRP A 43 5.572 7.023 -8.240 1.00 0.00 C ATOM 586 CG TRP A 43 5.144 6.497 -9.577 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.802 6.645 -10.765 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.962 5.742 -9.862 1.00 0.00 C ATOM 589 NE1 TRP A 43 5.099 6.027 -11.771 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.968 5.465 -11.243 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.900 5.270 -9.085 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.952 4.739 -11.861 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.893 4.551 -9.700 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.925 4.290 -11.076 1.00 0.00 C ATOM 0 H TRP A 43 6.868 9.066 -8.755 1.00 0.00 H new ATOM 0 HA TRP A 43 4.084 8.560 -8.444 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.661 7.036 -8.194 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.228 6.341 -7.462 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.737 7.170 -10.894 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.375 5.993 -12.752 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.867 5.464 -8.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.974 4.538 -12.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.067 4.184 -9.109 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.123 3.723 -11.526 1.00 0.00 H new ATOM 605 N ASP A 44 3.680 9.147 -6.071 1.00 0.00 N ATOM 606 CA ASP A 44 3.354 9.363 -4.666 1.00 0.00 C ATOM 607 C ASP A 44 2.529 8.204 -4.116 1.00 0.00 C ATOM 608 O ASP A 44 1.872 7.484 -4.868 1.00 0.00 O ATOM 609 CB ASP A 44 2.590 10.676 -4.494 1.00 0.00 C ATOM 610 CG ASP A 44 3.092 11.764 -5.422 1.00 0.00 C ATOM 611 OD1 ASP A 44 4.292 11.743 -5.766 1.00 0.00 O ATOM 612 OD2 ASP A 44 2.286 12.638 -5.804 1.00 0.00 O ATOM 0 H ASP A 44 2.957 9.452 -6.723 1.00 0.00 H new ATOM 0 HA ASP A 44 4.287 9.419 -4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.530 10.503 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.681 11.013 -3.461 1.00 0.00 H new ATOM 617 N ILE A 45 2.568 8.029 -2.799 1.00 0.00 N ATOM 618 CA ILE A 45 1.825 6.958 -2.148 1.00 0.00 C ATOM 619 C ILE A 45 0.469 6.747 -2.814 1.00 0.00 C ATOM 620 O ILE A 45 0.193 5.679 -3.360 1.00 0.00 O ATOM 621 CB ILE A 45 1.609 7.251 -0.652 1.00 0.00 C ATOM 622 CG1 ILE A 45 2.954 7.455 0.049 1.00 0.00 C ATOM 623 CG2 ILE A 45 0.831 6.119 0.003 1.00 0.00 C ATOM 624 CD1 ILE A 45 3.856 6.242 -0.009 1.00 0.00 C ATOM 0 H ILE A 45 3.107 8.616 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 45 2.423 6.052 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 45 1.027 8.168 -0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.467 8.302 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.775 7.715 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.686 6.341 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.140 6.016 -0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.388 5.188 -0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.791 6.459 0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.362 5.398 0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.066 5.994 -1.049 1.00 0.00 H new ATOM 636 N ARG A 46 -0.374 7.774 -2.766 1.00 0.00 N ATOM 637 CA ARG A 46 -1.701 7.701 -3.364 1.00 0.00 C ATOM 638 C ARG A 46 -1.681 6.848 -4.629 1.00 0.00 C ATOM 639 O ARG A 46 -2.428 5.877 -4.746 1.00 0.00 O ATOM 640 CB ARG A 46 -2.213 9.105 -3.691 1.00 0.00 C ATOM 641 CG ARG A 46 -3.512 9.111 -4.481 1.00 0.00 C ATOM 642 CD ARG A 46 -3.787 10.476 -5.092 1.00 0.00 C ATOM 643 NE ARG A 46 -3.780 11.537 -4.088 1.00 0.00 N ATOM 644 CZ ARG A 46 -4.267 12.754 -4.301 1.00 0.00 C ATOM 645 NH1 ARG A 46 -4.798 13.063 -5.476 1.00 0.00 N ATOM 646 NH2 ARG A 46 -4.224 13.665 -3.337 1.00 0.00 N ATOM 0 H ARG A 46 -0.161 8.666 -2.319 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.372 7.235 -2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.361 9.654 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.450 9.638 -4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.462 8.361 -5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.338 8.831 -3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.036 10.691 -5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.754 10.460 -5.595 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.379 11.332 -3.173 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.833 12.365 -6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.171 13.999 -5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.817 13.431 -2.432 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.598 14.600 -3.501 1.00 0.00 H new ATOM 660 N ASN A 47 -0.822 7.218 -5.573 1.00 0.00 N ATOM 661 CA ASN A 47 -0.706 6.487 -6.830 1.00 0.00 C ATOM 662 C ASN A 47 -0.130 5.094 -6.597 1.00 0.00 C ATOM 663 O ASN A 47 -0.708 4.092 -7.022 1.00 0.00 O ATOM 664 CB ASN A 47 0.177 7.259 -7.813 1.00 0.00 C ATOM 665 CG ASN A 47 -0.497 8.514 -8.333 1.00 0.00 C ATOM 666 OD1 ASN A 47 -0.924 8.570 -9.486 1.00 0.00 O ATOM 667 ND2 ASN A 47 -0.596 9.528 -7.482 1.00 0.00 N ATOM 0 H ASN A 47 -0.196 8.019 -5.492 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.704 6.382 -7.255 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.112 7.529 -7.322 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.432 6.613 -8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.040 10.398 -7.775 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.228 9.437 -6.535 1.00 0.00 H new ATOM 674 N LEU A 48 1.012 5.037 -5.920 1.00 0.00 N ATOM 675 CA LEU A 48 1.667 3.766 -5.630 1.00 0.00 C ATOM 676 C LEU A 48 0.639 2.680 -5.329 1.00 0.00 C ATOM 677 O LEU A 48 0.553 1.678 -6.039 1.00 0.00 O ATOM 678 CB LEU A 48 2.623 3.922 -4.446 1.00 0.00 C ATOM 679 CG LEU A 48 3.337 2.649 -3.989 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.480 2.310 -4.933 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.849 2.808 -2.564 1.00 0.00 C ATOM 0 H LEU A 48 1.503 5.856 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 48 2.235 3.468 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.377 4.664 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.062 4.323 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 48 2.622 1.827 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.976 1.401 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.088 2.154 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.196 3.131 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.354 1.893 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.549 3.642 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.010 3.003 -1.896 1.00 0.00 H new ATOM 693 N LEU A 49 -0.140 2.887 -4.273 1.00 0.00 N ATOM 694 CA LEU A 49 -1.165 1.926 -3.879 1.00 0.00 C ATOM 695 C LEU A 49 -1.876 1.356 -5.102 1.00 0.00 C ATOM 696 O LEU A 49 -2.004 0.140 -5.247 1.00 0.00 O ATOM 697 CB LEU A 49 -2.181 2.588 -2.946 1.00 0.00 C ATOM 698 CG LEU A 49 -1.870 2.512 -1.451 1.00 0.00 C ATOM 699 CD1 LEU A 49 -1.370 1.124 -1.081 1.00 0.00 C ATOM 700 CD2 LEU A 49 -0.846 3.569 -1.065 1.00 0.00 C ATOM 0 H LEU A 49 -0.082 3.711 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.677 1.107 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.270 3.638 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.155 2.129 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.789 2.705 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.153 1.088 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.135 0.386 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.463 0.902 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.637 3.500 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.074 3.406 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.241 4.559 -1.294 1.00 0.00 H new ATOM 712 N VAL A 50 -2.336 2.242 -5.979 1.00 0.00 N ATOM 713 CA VAL A 50 -3.031 1.827 -7.192 1.00 0.00 C ATOM 714 C VAL A 50 -2.260 0.731 -7.920 1.00 0.00 C ATOM 715 O VAL A 50 -2.733 -0.399 -8.040 1.00 0.00 O ATOM 716 CB VAL A 50 -3.243 3.014 -8.151 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.142 2.609 -9.310 1.00 0.00 C ATOM 718 CG2 VAL A 50 -3.826 4.204 -7.404 1.00 0.00 C ATOM 0 H VAL A 50 -2.240 3.252 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.002 1.440 -6.884 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.276 3.308 -8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.281 3.460 -9.977 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.680 1.789 -9.859 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.110 2.288 -8.925 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.969 5.034 -8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.785 3.925 -6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.142 4.507 -6.612 1.00 0.00 H new ATOM 728 N TRP A 51 -1.071 1.073 -8.403 1.00 0.00 N ATOM 729 CA TRP A 51 -0.234 0.117 -9.119 1.00 0.00 C ATOM 730 C TRP A 51 -0.143 -1.202 -8.361 1.00 0.00 C ATOM 731 O TRP A 51 -0.061 -2.272 -8.965 1.00 0.00 O ATOM 732 CB TRP A 51 1.166 0.695 -9.333 1.00 0.00 C ATOM 733 CG TRP A 51 2.039 -0.168 -10.193 1.00 0.00 C ATOM 734 CD1 TRP A 51 2.402 0.067 -11.488 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.658 -1.404 -9.818 1.00 0.00 C ATOM 736 NE1 TRP A 51 3.209 -0.949 -11.942 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.382 -1.863 -10.936 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.673 -2.166 -8.647 1.00 0.00 C ATOM 739 CZ2 TRP A 51 4.109 -3.050 -10.915 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.395 -3.344 -8.628 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.106 -3.776 -9.756 1.00 0.00 C ATOM 0 H TRP A 51 -0.665 2.004 -8.312 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.693 -0.075 -10.089 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.079 1.681 -9.790 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.646 0.834 -8.364 1.00 0.00 H new ATOM 0 HD1 TRP A 51 2.100 0.925 -12.070 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.613 -1.012 -12.876 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.130 -1.840 -7.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.656 -3.386 -11.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.412 -3.942 -7.729 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.662 -4.700 -9.709 1.00 0.00 H new ATOM 752 N ILE A 52 -0.159 -1.120 -7.035 1.00 0.00 N ATOM 753 CA ILE A 52 -0.079 -2.308 -6.195 1.00 0.00 C ATOM 754 C ILE A 52 -1.421 -3.030 -6.135 1.00 0.00 C ATOM 755 O ILE A 52 -1.476 -4.256 -6.041 1.00 0.00 O ATOM 756 CB ILE A 52 0.367 -1.957 -4.763 1.00 0.00 C ATOM 757 CG1 ILE A 52 1.844 -1.558 -4.749 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.121 -3.133 -3.829 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.398 -1.343 -3.358 1.00 0.00 C ATOM 0 H ILE A 52 -0.227 -0.243 -6.519 1.00 0.00 H new ATOM 0 HA ILE A 52 0.664 -2.964 -6.647 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.222 -1.110 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.426 -2.333 -5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.970 -0.643 -5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.441 -2.870 -2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.942 -3.375 -3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.687 -3.998 -4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.449 -1.063 -3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.841 -0.547 -2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.304 -2.264 -2.782 1.00 0.00 H new ATOM 771 N LYS A 53 -2.503 -2.260 -6.192 1.00 0.00 N ATOM 772 CA LYS A 53 -3.847 -2.825 -6.147 1.00 0.00 C ATOM 773 C LYS A 53 -4.349 -3.145 -7.552 1.00 0.00 C ATOM 774 O LYS A 53 -5.369 -3.813 -7.720 1.00 0.00 O ATOM 775 CB LYS A 53 -4.808 -1.853 -5.459 1.00 0.00 C ATOM 776 CG LYS A 53 -4.455 -1.572 -4.009 1.00 0.00 C ATOM 777 CD LYS A 53 -5.122 -0.303 -3.508 1.00 0.00 C ATOM 778 CE LYS A 53 -6.638 -0.424 -3.528 1.00 0.00 C ATOM 779 NZ LYS A 53 -7.298 0.899 -3.705 1.00 0.00 N ATOM 0 H LYS A 53 -2.475 -1.243 -6.269 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.806 -3.752 -5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.817 -0.913 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.818 -2.260 -5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.762 -2.414 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.374 -1.480 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.786 -0.091 -2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.815 0.540 -4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.938 -1.091 -4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.978 -0.878 -2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.298 0.827 -3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.824 1.606 -3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.233 1.189 -4.702 1.00 0.00 H new ATOM 793 N LYS A 54 -3.626 -2.664 -8.557 1.00 0.00 N ATOM 794 CA LYS A 54 -3.996 -2.901 -9.948 1.00 0.00 C ATOM 795 C LYS A 54 -3.345 -4.175 -10.475 1.00 0.00 C ATOM 796 O LYS A 54 -4.017 -5.041 -11.034 1.00 0.00 O ATOM 797 CB LYS A 54 -3.586 -1.709 -10.816 1.00 0.00 C ATOM 798 CG LYS A 54 -2.184 -1.827 -11.387 1.00 0.00 C ATOM 799 CD LYS A 54 -1.864 -0.674 -12.324 1.00 0.00 C ATOM 800 CE LYS A 54 -2.485 0.627 -11.838 1.00 0.00 C ATOM 801 NZ LYS A 54 -3.916 0.739 -12.235 1.00 0.00 N ATOM 0 H LYS A 54 -2.780 -2.107 -8.435 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.078 -3.022 -9.995 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.296 -1.606 -11.637 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.652 -0.798 -10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.459 -1.847 -10.573 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.087 -2.771 -11.924 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.783 -0.556 -12.402 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.232 -0.903 -13.324 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.403 0.686 -10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.928 1.470 -12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.088 1.676 -12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.141 0.002 -12.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.519 0.618 -11.397 1.00 0.00 H new ATOM 815 N ASN A 55 -2.033 -4.284 -10.291 1.00 0.00 N ATOM 816 CA ASN A 55 -1.292 -5.454 -10.748 1.00 0.00 C ATOM 817 C ASN A 55 -0.854 -6.316 -9.567 1.00 0.00 C ATOM 818 O ASN A 55 -1.327 -7.440 -9.396 1.00 0.00 O ATOM 819 CB ASN A 55 -0.069 -5.024 -11.560 1.00 0.00 C ATOM 820 CG ASN A 55 0.600 -3.790 -10.987 1.00 0.00 C ATOM 821 OD1 ASN A 55 1.347 -3.871 -10.012 1.00 0.00 O ATOM 822 ND2 ASN A 55 0.335 -2.638 -11.593 1.00 0.00 N ATOM 0 H ASN A 55 -1.462 -3.577 -9.829 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.952 -6.046 -11.383 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.650 -5.843 -11.590 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.370 -4.826 -12.589 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.757 -1.774 -11.253 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.290 -2.618 -12.398 1.00 0.00 H new ATOM 829 N LEU A 56 0.050 -5.780 -8.754 1.00 0.00 N ATOM 830 CA LEU A 56 0.551 -6.499 -7.588 1.00 0.00 C ATOM 831 C LEU A 56 -0.582 -7.218 -6.863 1.00 0.00 C ATOM 832 O LEU A 56 -0.378 -8.276 -6.265 1.00 0.00 O ATOM 833 CB LEU A 56 1.253 -5.533 -6.632 1.00 0.00 C ATOM 834 CG LEU A 56 2.401 -6.119 -5.809 1.00 0.00 C ATOM 835 CD1 LEU A 56 3.636 -6.309 -6.676 1.00 0.00 C ATOM 836 CD2 LEU A 56 2.715 -5.224 -4.619 1.00 0.00 C ATOM 0 H LEU A 56 0.451 -4.851 -8.881 1.00 0.00 H new ATOM 0 HA LEU A 56 1.268 -7.245 -7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.639 -4.695 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.509 -5.129 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 56 2.092 -7.094 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.443 -6.727 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.404 -6.990 -7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.947 -5.346 -7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.534 -5.656 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.003 -4.235 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.833 -5.139 -3.985 1.00 0.00 H new ATOM 848 N LEU A 57 -1.775 -6.638 -6.920 1.00 0.00 N ATOM 849 CA LEU A 57 -2.943 -7.224 -6.270 1.00 0.00 C ATOM 850 C LEU A 57 -3.791 -8.001 -7.272 1.00 0.00 C ATOM 851 O LEU A 57 -4.163 -7.479 -8.323 1.00 0.00 O ATOM 852 CB LEU A 57 -3.785 -6.131 -5.610 1.00 0.00 C ATOM 853 CG LEU A 57 -4.937 -6.613 -4.727 1.00 0.00 C ATOM 854 CD1 LEU A 57 -4.417 -7.071 -3.374 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.975 -5.513 -4.557 1.00 0.00 C ATOM 0 H LEU A 57 -1.960 -5.762 -7.409 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.594 -7.917 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.126 -5.508 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.196 -5.494 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.414 -7.462 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.251 -7.410 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.712 -7.891 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.915 -6.241 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.787 -5.874 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.511 -4.644 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.371 -5.232 -5.533 1.00 0.00 H new ATOM 867 N LYS A 58 -4.095 -9.250 -6.938 1.00 0.00 N ATOM 868 CA LYS A 58 -4.902 -10.100 -7.805 1.00 0.00 C ATOM 869 C LYS A 58 -6.263 -10.382 -7.177 1.00 0.00 C ATOM 870 O LYS A 58 -7.174 -10.873 -7.843 1.00 0.00 O ATOM 871 CB LYS A 58 -4.175 -11.417 -8.085 1.00 0.00 C ATOM 872 CG LYS A 58 -3.075 -11.296 -9.126 1.00 0.00 C ATOM 873 CD LYS A 58 -3.643 -11.258 -10.535 1.00 0.00 C ATOM 874 CE LYS A 58 -4.010 -12.651 -11.025 1.00 0.00 C ATOM 875 NZ LYS A 58 -2.805 -13.442 -11.398 1.00 0.00 N ATOM 0 H LYS A 58 -3.794 -9.697 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.058 -9.572 -8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.744 -11.789 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.900 -12.159 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.496 -10.391 -8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.389 -12.138 -9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.526 -10.619 -10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.913 -10.814 -11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.563 -13.176 -10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.673 -12.570 -11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.099 -14.322 -11.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.211 -12.886 -12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.261 -13.671 -10.542 1.00 0.00 H new ATOM 889 N GLU A 59 -6.394 -10.066 -5.892 1.00 0.00 N ATOM 890 CA GLU A 59 -7.644 -10.285 -5.176 1.00 0.00 C ATOM 891 C GLU A 59 -8.411 -8.977 -5.006 1.00 0.00 C ATOM 892 O GLU A 59 -7.957 -7.918 -5.441 1.00 0.00 O ATOM 893 CB GLU A 59 -7.370 -10.910 -3.806 1.00 0.00 C ATOM 894 CG GLU A 59 -7.187 -12.417 -3.850 1.00 0.00 C ATOM 895 CD GLU A 59 -8.505 -13.165 -3.885 1.00 0.00 C ATOM 896 OE1 GLU A 59 -9.154 -13.272 -2.823 1.00 0.00 O ATOM 897 OE2 GLU A 59 -8.888 -13.643 -4.972 1.00 0.00 O ATOM 0 H GLU A 59 -5.650 -9.658 -5.327 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.254 -10.970 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.475 -10.456 -3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.196 -10.672 -3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.600 -12.682 -4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.616 -12.735 -2.978 1.00 0.00 H new ATOM 904 N ARG A 60 -9.577 -9.059 -4.372 1.00 0.00 N ATOM 905 CA ARG A 60 -10.408 -7.883 -4.147 1.00 0.00 C ATOM 906 C ARG A 60 -9.617 -6.786 -3.439 1.00 0.00 C ATOM 907 O ARG A 60 -8.901 -7.031 -2.468 1.00 0.00 O ATOM 908 CB ARG A 60 -11.640 -8.253 -3.319 1.00 0.00 C ATOM 909 CG ARG A 60 -12.829 -8.691 -4.158 1.00 0.00 C ATOM 910 CD ARG A 60 -14.146 -8.336 -3.486 1.00 0.00 C ATOM 911 NE ARG A 60 -14.441 -9.218 -2.360 1.00 0.00 N ATOM 912 CZ ARG A 60 -15.667 -9.432 -1.896 1.00 0.00 C ATOM 913 NH1 ARG A 60 -16.706 -8.831 -2.458 1.00 0.00 N ATOM 914 NH2 ARG A 60 -15.855 -10.249 -0.867 1.00 0.00 N ATOM 0 H ARG A 60 -9.967 -9.927 -4.006 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.731 -7.506 -5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.377 -9.056 -2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.931 -7.395 -2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.779 -8.216 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.782 -9.767 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.109 -7.304 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.953 -8.397 -4.216 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.663 -9.696 -1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.565 -8.202 -3.249 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.646 -8.997 -2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.058 -10.713 -0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.797 -10.413 -0.511 1.00 0.00 H new ATOM 928 N PRO A 61 -9.749 -5.547 -3.936 1.00 0.00 N ATOM 929 CA PRO A 61 -9.055 -4.388 -3.367 1.00 0.00 C ATOM 930 C PRO A 61 -9.600 -4.002 -1.996 1.00 0.00 C ATOM 931 O PRO A 61 -8.843 -3.854 -1.037 1.00 0.00 O ATOM 932 CB PRO A 61 -9.328 -3.277 -4.384 1.00 0.00 C ATOM 933 CG PRO A 61 -10.596 -3.679 -5.053 1.00 0.00 C ATOM 934 CD PRO A 61 -10.586 -5.182 -5.092 1.00 0.00 C ATOM 0 HA PRO A 61 -7.995 -4.586 -3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.429 -2.308 -3.895 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.513 -3.188 -5.102 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.461 -3.309 -4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.655 -3.263 -6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.592 -5.593 -5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.167 -5.557 -6.026 1.00 0.00 H new ATOM 942 N GLU A 62 -10.916 -3.839 -1.912 1.00 0.00 N ATOM 943 CA GLU A 62 -11.561 -3.470 -0.657 1.00 0.00 C ATOM 944 C GLU A 62 -11.132 -4.404 0.471 1.00 0.00 C ATOM 945 O GLU A 62 -11.024 -3.991 1.626 1.00 0.00 O ATOM 946 CB GLU A 62 -13.083 -3.503 -0.811 1.00 0.00 C ATOM 947 CG GLU A 62 -13.631 -4.882 -1.141 1.00 0.00 C ATOM 948 CD GLU A 62 -15.030 -4.829 -1.724 1.00 0.00 C ATOM 949 OE1 GLU A 62 -15.175 -4.366 -2.875 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.979 -5.250 -1.031 1.00 0.00 O ATOM 0 H GLU A 62 -11.556 -3.956 -2.697 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.251 -2.456 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.541 -3.151 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.376 -2.807 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.964 -5.374 -1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.641 -5.491 -0.237 1.00 0.00 H new ATOM 957 N LEU A 63 -10.889 -5.664 0.127 1.00 0.00 N ATOM 958 CA LEU A 63 -10.473 -6.658 1.110 1.00 0.00 C ATOM 959 C LEU A 63 -9.154 -6.257 1.764 1.00 0.00 C ATOM 960 O LEU A 63 -8.967 -6.434 2.968 1.00 0.00 O ATOM 961 CB LEU A 63 -10.331 -8.030 0.449 1.00 0.00 C ATOM 962 CG LEU A 63 -10.616 -9.238 1.341 1.00 0.00 C ATOM 963 CD1 LEU A 63 -11.994 -9.120 1.974 1.00 0.00 C ATOM 964 CD2 LEU A 63 -10.502 -10.529 0.544 1.00 0.00 C ATOM 0 H LEU A 63 -10.973 -6.021 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.240 -6.712 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.004 -8.070 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.316 -8.121 0.062 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.873 -9.260 2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.180 -9.989 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.040 -8.215 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.751 -9.072 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.708 -11.378 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.222 -10.516 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.494 -10.619 0.139 1.00 0.00 H new ATOM 976 N PHE A 64 -8.243 -5.715 0.963 1.00 0.00 N ATOM 977 CA PHE A 64 -6.942 -5.288 1.464 1.00 0.00 C ATOM 978 C PHE A 64 -6.924 -3.783 1.717 1.00 0.00 C ATOM 979 O PHE A 64 -6.716 -3.336 2.846 1.00 0.00 O ATOM 980 CB PHE A 64 -5.841 -5.662 0.469 1.00 0.00 C ATOM 981 CG PHE A 64 -4.458 -5.330 0.953 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.913 -5.992 2.041 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.703 -4.357 0.319 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.641 -5.688 2.489 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.430 -4.049 0.761 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.898 -4.716 1.847 1.00 0.00 C ATOM 0 H PHE A 64 -8.382 -5.561 -0.036 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.758 -5.800 2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.898 -6.730 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.022 -5.144 -0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.488 -6.754 2.545 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.114 -3.833 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.228 -6.210 3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.852 -3.288 0.258 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.903 -4.478 2.194 1.00 0.00 H new ATOM 996 N ILE A 65 -7.142 -3.009 0.660 1.00 0.00 N ATOM 997 CA ILE A 65 -7.151 -1.555 0.768 1.00 0.00 C ATOM 998 C ILE A 65 -8.438 -0.970 0.197 1.00 0.00 C ATOM 999 O ILE A 65 -8.982 -1.480 -0.782 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.948 -0.929 0.038 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.657 -1.197 0.814 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.160 0.566 -0.147 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.404 -0.847 0.042 1.00 0.00 C ATOM 0 H ILE A 65 -7.315 -3.364 -0.281 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.086 -1.317 1.830 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.860 -1.388 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.675 -0.624 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.621 -2.251 1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.301 0.994 -0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.061 0.735 -0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.270 1.041 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.528 -1.063 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.363 -1.439 -0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.417 0.213 -0.212 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.919 0.104 0.815 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.142 0.760 0.367 1.00 0.00 C ATOM 1017 C GLN A 66 -9.836 2.121 -0.249 1.00 0.00 C ATOM 1018 O GLN A 66 -9.715 3.120 0.458 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.115 0.923 1.536 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.538 1.239 1.103 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.173 0.110 0.315 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.888 -0.724 0.870 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -12.914 0.078 -0.987 1.00 0.00 N ATOM 0 H GLN A 66 -8.481 0.538 1.627 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.603 0.132 -0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.118 0.006 2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.757 1.720 2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.144 1.447 1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.536 2.144 0.496 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.316 0.790 -1.406 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.314 -0.659 -1.569 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.712 2.151 -1.573 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.420 3.395 -2.262 1.00 0.00 C ATOM 1034 C GLY A 67 -7.939 3.715 -2.278 1.00 0.00 C ATOM 1035 O GLY A 67 -7.153 3.088 -1.567 1.00 0.00 O ATOM 0 H GLY A 67 -9.808 1.337 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.786 3.334 -3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.959 4.210 -1.779 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.556 4.693 -3.092 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.158 5.095 -3.198 1.00 0.00 C ATOM 1041 C ASP A 68 -5.461 5.004 -1.844 1.00 0.00 C ATOM 1042 O ASP A 68 -4.273 4.691 -1.766 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.056 6.521 -3.743 1.00 0.00 C ATOM 1044 CG ASP A 68 -7.138 7.430 -3.193 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -8.288 7.341 -3.673 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -6.835 8.229 -2.283 1.00 0.00 O ATOM 0 H ASP A 68 -8.193 5.222 -3.688 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.661 4.413 -3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.078 6.933 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.124 6.497 -4.831 1.00 0.00 H new ATOM 1051 N SER A 69 -6.209 5.279 -0.780 1.00 0.00 N ATOM 1052 CA SER A 69 -5.661 5.232 0.571 1.00 0.00 C ATOM 1053 C SER A 69 -5.796 3.833 1.163 1.00 0.00 C ATOM 1054 O SER A 69 -6.777 3.132 0.916 1.00 0.00 O ATOM 1055 CB SER A 69 -6.373 6.248 1.467 1.00 0.00 C ATOM 1056 OG SER A 69 -7.776 6.206 1.272 1.00 0.00 O ATOM 0 H SER A 69 -7.195 5.536 -0.827 1.00 0.00 H new ATOM 0 HA SER A 69 -4.602 5.484 0.517 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.142 6.041 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.003 7.250 1.251 1.00 0.00 H new ATOM 0 HG SER A 69 -8.207 6.863 1.857 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.800 3.431 1.948 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.806 2.116 2.577 1.00 0.00 C ATOM 1064 C VAL A 70 -5.849 2.042 3.687 1.00 0.00 C ATOM 1065 O VAL A 70 -6.111 3.030 4.373 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.425 1.768 3.163 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.366 1.771 2.071 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.058 2.738 4.275 1.00 0.00 C ATOM 0 H VAL A 70 -3.979 3.998 2.163 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.055 1.395 1.799 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.472 0.765 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.397 1.523 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.624 1.033 1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.317 2.759 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.079 2.477 4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.028 3.753 3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.803 2.681 5.068 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.441 0.864 3.857 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.457 0.661 4.884 1.00 0.00 C ATOM 1080 C ARG A 71 -6.947 1.112 6.249 1.00 0.00 C ATOM 1081 O ARG A 71 -5.746 1.271 6.470 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.867 -0.811 4.941 1.00 0.00 C ATOM 1083 CG ARG A 71 -9.041 -1.152 4.038 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.556 -2.558 4.302 1.00 0.00 C ATOM 1085 NE ARG A 71 -8.474 -3.490 4.607 1.00 0.00 N ATOM 1086 CZ ARG A 71 -8.030 -3.723 5.837 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -8.574 -3.097 6.872 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -7.041 -4.586 6.035 1.00 0.00 N ATOM 0 H ARG A 71 -6.235 0.036 3.298 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.327 1.263 4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.013 -1.428 4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.123 -1.068 5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.845 -0.433 4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.737 -1.065 2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.260 -2.536 5.134 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.105 -2.913 3.429 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.035 -3.989 3.833 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.335 -2.435 6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.231 -3.278 7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.621 -5.071 5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.701 -4.764 6.980 1.00 0.00 H new ATOM 1102 N PRO A 72 -7.881 1.324 7.189 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.550 1.760 8.549 1.00 0.00 C ATOM 1104 C PRO A 72 -6.849 0.670 9.353 1.00 0.00 C ATOM 1105 O PRO A 72 -6.558 0.847 10.535 1.00 0.00 O ATOM 1106 CB PRO A 72 -8.916 2.080 9.161 1.00 0.00 C ATOM 1107 CG PRO A 72 -9.881 1.244 8.393 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.331 1.155 6.996 1.00 0.00 C ATOM 0 HA PRO A 72 -6.859 2.603 8.550 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.940 1.837 10.223 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.152 3.140 9.071 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.979 0.254 8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.874 1.694 8.394 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.566 0.197 6.532 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.744 1.931 6.351 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.579 -0.458 8.702 1.00 0.00 N ATOM 1117 CA GLY A 73 -5.914 -1.560 9.372 1.00 0.00 C ATOM 1118 C GLY A 73 -4.515 -1.801 8.841 1.00 0.00 C ATOM 1119 O GLY A 73 -3.618 -2.189 9.591 1.00 0.00 O ATOM 0 H GLY A 73 -6.809 -0.628 7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.863 -1.354 10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.507 -2.466 9.250 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.327 -1.572 7.546 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.027 -1.767 6.917 1.00 0.00 C ATOM 1125 C ILE A 74 -2.015 -0.743 7.416 1.00 0.00 C ATOM 1126 O ILE A 74 -2.149 0.455 7.162 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.124 -1.670 5.383 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.225 -2.595 4.860 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -1.787 -2.016 4.744 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -3.931 -4.064 5.071 1.00 0.00 C ATOM 0 H ILE A 74 -5.059 -1.251 6.912 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.692 -2.768 7.190 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.378 -0.645 5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.163 -2.346 5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.368 -2.411 3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.872 -1.943 3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.025 -1.321 5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.505 -3.033 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.754 -4.660 4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.010 -4.329 4.552 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.818 -4.263 6.137 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.000 -1.220 8.128 1.00 0.00 N ATOM 1143 CA LEU A 75 0.039 -0.346 8.663 1.00 0.00 C ATOM 1144 C LEU A 75 1.225 -0.262 7.708 1.00 0.00 C ATOM 1145 O LEU A 75 2.004 -1.207 7.584 1.00 0.00 O ATOM 1146 CB LEU A 75 0.504 -0.851 10.029 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.539 -0.823 11.147 1.00 0.00 C ATOM 1148 CD1 LEU A 75 0.018 -1.453 12.414 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -0.995 0.604 11.414 1.00 0.00 C ATOM 0 H LEU A 75 -0.874 -2.208 8.349 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.383 0.652 8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.856 -1.876 9.914 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.360 -0.253 10.343 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.403 -1.406 10.827 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.739 -1.424 13.198 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.294 -2.488 12.215 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.899 -0.899 12.739 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.737 0.605 12.212 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.139 1.210 11.713 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.436 1.021 10.508 1.00 0.00 H new ATOM 1161 N VAL A 76 1.357 0.877 7.035 1.00 0.00 N ATOM 1162 CA VAL A 76 2.450 1.086 6.094 1.00 0.00 C ATOM 1163 C VAL A 76 3.620 1.803 6.759 1.00 0.00 C ATOM 1164 O VAL A 76 3.455 2.458 7.789 1.00 0.00 O ATOM 1165 CB VAL A 76 1.990 1.903 4.872 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.766 1.265 4.233 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.704 3.343 5.271 1.00 0.00 C ATOM 0 H VAL A 76 0.720 1.669 7.124 1.00 0.00 H new ATOM 0 HA VAL A 76 2.774 0.100 5.762 1.00 0.00 H new ATOM 0 HB VAL A 76 2.794 1.907 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.456 1.856 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.010 0.253 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.046 1.228 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.380 3.906 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.918 3.362 6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.609 3.794 5.678 1.00 0.00 H new ATOM 1177 N LEU A 77 4.801 1.676 6.165 1.00 0.00 N ATOM 1178 CA LEU A 77 5.999 2.313 6.700 1.00 0.00 C ATOM 1179 C LEU A 77 7.010 2.589 5.591 1.00 0.00 C ATOM 1180 O LEU A 77 7.367 1.693 4.826 1.00 0.00 O ATOM 1181 CB LEU A 77 6.634 1.428 7.775 1.00 0.00 C ATOM 1182 CG LEU A 77 6.144 1.655 9.205 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.223 0.366 10.008 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.953 2.754 9.878 1.00 0.00 C ATOM 0 H LEU A 77 4.955 1.138 5.312 1.00 0.00 H new ATOM 0 HA LEU A 77 5.707 3.264 7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.455 0.386 7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.713 1.581 7.753 1.00 0.00 H new ATOM 0 HG LEU A 77 5.102 1.971 9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.870 0.548 11.023 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.600 -0.394 9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.256 0.020 10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.590 2.902 10.895 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.004 2.467 9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.845 3.682 9.316 1.00 0.00 H new ATOM 1196 N ILE A 78 7.467 3.834 5.512 1.00 0.00 N ATOM 1197 CA ILE A 78 8.439 4.228 4.500 1.00 0.00 C ATOM 1198 C ILE A 78 9.837 4.350 5.097 1.00 0.00 C ATOM 1199 O ILE A 78 10.061 5.129 6.023 1.00 0.00 O ATOM 1200 CB ILE A 78 8.055 5.566 3.841 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.637 5.491 3.272 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.052 5.923 2.748 1.00 0.00 C ATOM 1203 CD1 ILE A 78 5.939 6.832 3.209 1.00 0.00 C ATOM 0 H ILE A 78 7.180 4.587 6.137 1.00 0.00 H new ATOM 0 HA ILE A 78 8.438 3.446 3.741 1.00 0.00 H new ATOM 0 HB ILE A 78 8.081 6.348 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.679 5.065 2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.044 4.810 3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.767 6.871 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.049 6.013 3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.055 5.141 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.939 6.703 2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.865 7.251 4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.509 7.510 2.574 1.00 0.00 H new ATOM 1215 N ASN A 79 10.774 3.576 4.560 1.00 0.00 N ATOM 1216 CA ASN A 79 12.151 3.599 5.039 1.00 0.00 C ATOM 1217 C ASN A 79 12.200 3.488 6.560 1.00 0.00 C ATOM 1218 O ASN A 79 13.043 4.106 7.211 1.00 0.00 O ATOM 1219 CB ASN A 79 12.849 4.884 4.588 1.00 0.00 C ATOM 1220 CG ASN A 79 12.809 5.065 3.082 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.247 6.038 2.578 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.406 4.127 2.357 1.00 0.00 N ATOM 0 H ASN A 79 10.605 2.925 3.793 1.00 0.00 H new ATOM 0 HA ASN A 79 12.672 2.742 4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.374 5.740 5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.886 4.867 4.922 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.411 4.195 1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.859 3.338 2.818 1.00 0.00 H new ATOM 1229 N ASP A 80 11.291 2.697 7.119 1.00 0.00 N ATOM 1230 CA ASP A 80 11.231 2.503 8.563 1.00 0.00 C ATOM 1231 C ASP A 80 10.727 3.763 9.260 1.00 0.00 C ATOM 1232 O ASP A 80 11.271 4.178 10.283 1.00 0.00 O ATOM 1233 CB ASP A 80 12.609 2.121 9.106 1.00 0.00 C ATOM 1234 CG ASP A 80 13.298 1.076 8.251 1.00 0.00 C ATOM 1235 OD1 ASP A 80 13.385 1.278 7.021 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.753 0.057 8.811 1.00 0.00 O ATOM 0 H ASP A 80 10.586 2.180 6.594 1.00 0.00 H new ATOM 0 HA ASP A 80 10.532 1.692 8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.235 3.012 9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.504 1.743 10.123 1.00 0.00 H new ATOM 1241 N ALA A 81 9.686 4.368 8.697 1.00 0.00 N ATOM 1242 CA ALA A 81 9.109 5.580 9.265 1.00 0.00 C ATOM 1243 C ALA A 81 7.629 5.700 8.916 1.00 0.00 C ATOM 1244 O ALA A 81 7.251 5.640 7.746 1.00 0.00 O ATOM 1245 CB ALA A 81 9.868 6.805 8.778 1.00 0.00 C ATOM 0 H ALA A 81 9.225 4.039 7.849 1.00 0.00 H new ATOM 0 HA ALA A 81 9.196 5.519 10.350 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.426 7.703 9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.912 6.731 9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.811 6.860 7.691 1.00 0.00 H new ATOM 1251 N ASP A 82 6.797 5.867 9.938 1.00 0.00 N ATOM 1252 CA ASP A 82 5.358 5.995 9.738 1.00 0.00 C ATOM 1253 C ASP A 82 5.049 7.001 8.634 1.00 0.00 C ATOM 1254 O ASP A 82 5.439 8.165 8.715 1.00 0.00 O ATOM 1255 CB ASP A 82 4.677 6.423 11.040 1.00 0.00 C ATOM 1256 CG ASP A 82 4.251 5.239 11.886 1.00 0.00 C ATOM 1257 OD1 ASP A 82 5.077 4.753 12.687 1.00 0.00 O ATOM 1258 OD2 ASP A 82 3.090 4.800 11.749 1.00 0.00 O ATOM 0 H ASP A 82 7.094 5.917 10.913 1.00 0.00 H new ATOM 0 HA ASP A 82 4.970 5.022 9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.359 7.050 11.614 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.804 7.032 10.807 1.00 0.00 H new ATOM 1263 N TRP A 83 4.349 6.543 7.603 1.00 0.00 N ATOM 1264 CA TRP A 83 3.989 7.403 6.481 1.00 0.00 C ATOM 1265 C TRP A 83 3.099 8.552 6.940 1.00 0.00 C ATOM 1266 O TRP A 83 2.951 9.552 6.238 1.00 0.00 O ATOM 1267 CB TRP A 83 3.277 6.591 5.397 1.00 0.00 C ATOM 1268 CG TRP A 83 1.899 6.153 5.792 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.494 5.737 7.028 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.746 6.086 4.946 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.158 5.416 7.001 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.324 5.622 5.736 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.513 6.376 3.599 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.604 5.440 5.221 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.759 6.194 3.089 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.804 5.731 3.898 1.00 0.00 C ATOM 0 H TRP A 83 4.019 5.581 7.520 1.00 0.00 H new ATOM 0 HA TRP A 83 4.906 7.822 6.067 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.214 7.189 4.488 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.876 5.712 5.159 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.130 5.670 7.898 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.386 5.079 7.795 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.312 6.736 2.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.411 5.082 5.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.950 6.413 2.049 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.787 5.601 3.470 1.00 0.00 H new ATOM 1287 N GLU A 84 2.508 8.403 8.122 1.00 0.00 N ATOM 1288 CA GLU A 84 1.632 9.430 8.673 1.00 0.00 C ATOM 1289 C GLU A 84 2.437 10.640 9.137 1.00 0.00 C ATOM 1290 O GLU A 84 1.927 11.760 9.178 1.00 0.00 O ATOM 1291 CB GLU A 84 0.819 8.865 9.840 1.00 0.00 C ATOM 1292 CG GLU A 84 -0.034 7.665 9.463 1.00 0.00 C ATOM 1293 CD GLU A 84 -1.111 7.370 10.489 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -0.827 6.620 11.447 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -2.236 7.889 10.335 1.00 0.00 O ATOM 0 H GLU A 84 2.620 7.581 8.716 1.00 0.00 H new ATOM 0 HA GLU A 84 0.949 9.750 7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.500 8.579 10.641 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.173 9.649 10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.500 7.845 8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.606 6.790 9.351 1.00 0.00 H new ATOM 1302 N LEU A 85 3.697 10.406 9.487 1.00 0.00 N ATOM 1303 CA LEU A 85 4.574 11.476 9.950 1.00 0.00 C ATOM 1304 C LEU A 85 5.090 12.302 8.776 1.00 0.00 C ATOM 1305 O LEU A 85 5.215 13.524 8.871 1.00 0.00 O ATOM 1306 CB LEU A 85 5.750 10.894 10.736 1.00 0.00 C ATOM 1307 CG LEU A 85 5.537 10.733 12.241 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.459 9.698 12.521 1.00 0.00 C ATOM 1309 CD2 LEU A 85 6.841 10.348 12.926 1.00 0.00 C ATOM 0 H LEU A 85 4.134 9.485 9.459 1.00 0.00 H new ATOM 0 HA LEU A 85 3.997 12.129 10.604 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.993 9.917 10.317 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.618 11.534 10.579 1.00 0.00 H new ATOM 0 HG LEU A 85 5.206 11.689 12.646 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.322 9.598 13.598 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.522 10.016 12.064 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.759 8.737 12.102 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.671 10.238 13.997 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.202 9.404 12.517 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.585 11.126 12.755 1.00 0.00 H new ATOM 1321 N LEU A 86 5.387 11.629 7.671 1.00 0.00 N ATOM 1322 CA LEU A 86 5.888 12.301 6.477 1.00 0.00 C ATOM 1323 C LEU A 86 4.738 12.817 5.619 1.00 0.00 C ATOM 1324 O LEU A 86 4.555 14.024 5.468 1.00 0.00 O ATOM 1325 CB LEU A 86 6.761 11.347 5.659 1.00 0.00 C ATOM 1326 CG LEU A 86 7.672 10.416 6.461 1.00 0.00 C ATOM 1327 CD1 LEU A 86 7.899 9.114 5.709 1.00 0.00 C ATOM 1328 CD2 LEU A 86 8.998 11.098 6.763 1.00 0.00 C ATOM 0 H LEU A 86 5.290 10.618 7.576 1.00 0.00 H new ATOM 0 HA LEU A 86 6.490 13.152 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.110 10.736 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.382 11.940 4.987 1.00 0.00 H new ATOM 0 HG LEU A 86 7.182 10.185 7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.549 8.464 6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.943 8.617 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.368 9.326 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.633 10.421 7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.494 11.359 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.818 12.003 7.343 1.00 0.00 H new ATOM 1340 N GLY A 87 3.962 11.893 5.060 1.00 0.00 N ATOM 1341 CA GLY A 87 2.837 12.274 4.226 1.00 0.00 C ATOM 1342 C GLY A 87 2.081 11.075 3.689 1.00 0.00 C ATOM 1343 O GLY A 87 2.399 10.562 2.617 1.00 0.00 O ATOM 0 H GLY A 87 4.093 10.887 5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.156 12.900 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.195 12.877 3.392 1.00 0.00 H new ATOM 1347 N GLU A 88 1.077 10.627 4.437 1.00 0.00 N ATOM 1348 CA GLU A 88 0.276 9.478 4.031 1.00 0.00 C ATOM 1349 C GLU A 88 0.113 9.439 2.514 1.00 0.00 C ATOM 1350 O GLU A 88 0.444 8.443 1.868 1.00 0.00 O ATOM 1351 CB GLU A 88 -1.099 9.524 4.701 1.00 0.00 C ATOM 1352 CG GLU A 88 -1.043 9.389 6.214 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.357 8.917 6.806 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -3.246 9.764 7.029 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -2.495 7.699 7.046 1.00 0.00 O ATOM 0 H GLU A 88 0.799 11.042 5.326 1.00 0.00 H new ATOM 0 HA GLU A 88 0.796 8.574 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.587 10.465 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.718 8.724 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.254 8.687 6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.776 10.351 6.651 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.400 10.527 1.951 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.608 10.618 0.510 1.00 0.00 C ATOM 1364 C LEU A 89 0.177 11.785 -0.081 1.00 0.00 C ATOM 1365 O LEU A 89 0.534 11.772 -1.259 1.00 0.00 O ATOM 1366 CB LEU A 89 -2.097 10.781 0.199 1.00 0.00 C ATOM 1367 CG LEU A 89 -3.008 9.645 0.666 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.470 10.040 0.524 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.719 8.373 -0.119 1.00 0.00 C ATOM 0 H LEU A 89 -0.680 11.359 2.470 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.247 9.695 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.444 11.709 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.213 10.893 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.806 9.453 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.103 9.219 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.669 10.924 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.688 10.260 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.376 7.575 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.893 8.553 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.680 8.079 0.034 1.00 0.00 H new ATOM 1381 N ASP A 90 0.443 12.791 0.745 1.00 0.00 N ATOM 1382 CA ASP A 90 1.189 13.964 0.305 1.00 0.00 C ATOM 1383 C ASP A 90 2.660 13.624 0.090 1.00 0.00 C ATOM 1384 O ASP A 90 3.392 14.372 -0.558 1.00 0.00 O ATOM 1385 CB ASP A 90 1.058 15.092 1.331 1.00 0.00 C ATOM 1386 CG ASP A 90 2.009 16.239 1.054 1.00 0.00 C ATOM 1387 OD1 ASP A 90 3.229 16.062 1.255 1.00 0.00 O ATOM 1388 OD2 ASP A 90 1.534 17.315 0.634 1.00 0.00 O ATOM 0 H ASP A 90 0.153 12.818 1.723 1.00 0.00 H new ATOM 0 HA ASP A 90 0.769 14.296 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.034 15.464 1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.251 14.697 2.328 1.00 0.00 H new ATOM 1393 N TYR A 91 3.086 12.491 0.637 1.00 0.00 N ATOM 1394 CA TYR A 91 4.471 12.053 0.508 1.00 0.00 C ATOM 1395 C TYR A 91 4.742 11.512 -0.893 1.00 0.00 C ATOM 1396 O TYR A 91 3.949 10.744 -1.437 1.00 0.00 O ATOM 1397 CB TYR A 91 4.788 10.981 1.551 1.00 0.00 C ATOM 1398 CG TYR A 91 6.246 10.581 1.584 1.00 0.00 C ATOM 1399 CD1 TYR A 91 6.729 9.576 0.755 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.140 11.207 2.444 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.060 9.206 0.782 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.472 10.845 2.477 1.00 0.00 C ATOM 1403 CZ TYR A 91 8.928 9.844 1.644 1.00 0.00 C ATOM 1404 OH TYR A 91 10.254 9.479 1.675 1.00 0.00 O ATOM 0 H TYR A 91 2.492 11.859 1.174 1.00 0.00 H new ATOM 0 HA TYR A 91 5.116 12.915 0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.498 11.347 2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.182 10.098 1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.053 9.076 0.078 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.787 11.990 3.098 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.419 8.422 0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.153 11.343 3.151 1.00 0.00 H new ATOM 0 HH TYR A 91 10.729 10.026 2.335 1.00 0.00 H new ATOM 1414 N GLN A 92 5.869 11.918 -1.469 1.00 0.00 N ATOM 1415 CA GLN A 92 6.246 11.474 -2.806 1.00 0.00 C ATOM 1416 C GLN A 92 7.420 10.503 -2.746 1.00 0.00 C ATOM 1417 O GLN A 92 8.507 10.854 -2.285 1.00 0.00 O ATOM 1418 CB GLN A 92 6.606 12.675 -3.682 1.00 0.00 C ATOM 1419 CG GLN A 92 5.512 13.728 -3.750 1.00 0.00 C ATOM 1420 CD GLN A 92 5.938 14.964 -4.517 1.00 0.00 C ATOM 1421 OE1 GLN A 92 5.371 15.287 -5.561 1.00 0.00 O ATOM 1422 NE2 GLN A 92 6.943 15.663 -4.003 1.00 0.00 N ATOM 0 H GLN A 92 6.536 12.553 -1.031 1.00 0.00 H new ATOM 0 HA GLN A 92 5.393 10.957 -3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.517 13.134 -3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.826 12.326 -4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.629 13.299 -4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.225 14.014 -2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.384 15.359 -3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.274 16.504 -4.476 1.00 0.00 H new ATOM 1431 N LEU A 93 7.195 9.280 -3.214 1.00 0.00 N ATOM 1432 CA LEU A 93 8.235 8.257 -3.214 1.00 0.00 C ATOM 1433 C LEU A 93 9.294 8.557 -4.270 1.00 0.00 C ATOM 1434 O LEU A 93 8.972 8.803 -5.432 1.00 0.00 O ATOM 1435 CB LEU A 93 7.621 6.879 -3.467 1.00 0.00 C ATOM 1436 CG LEU A 93 6.666 6.361 -2.390 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.283 4.916 -2.667 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.295 6.494 -1.011 1.00 0.00 C ATOM 0 H LEU A 93 6.302 8.973 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 93 8.714 8.260 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.084 6.911 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.431 6.159 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 93 5.760 6.966 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.603 4.565 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.791 4.850 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.180 4.296 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.602 6.121 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.217 5.914 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.517 7.542 -0.812 1.00 0.00 H new ATOM 1450 N GLN A 94 10.557 8.532 -3.858 1.00 0.00 N ATOM 1451 CA GLN A 94 11.663 8.799 -4.769 1.00 0.00 C ATOM 1452 C GLN A 94 12.245 7.500 -5.316 1.00 0.00 C ATOM 1453 O GLN A 94 11.724 6.416 -5.051 1.00 0.00 O ATOM 1454 CB GLN A 94 12.755 9.602 -4.059 1.00 0.00 C ATOM 1455 CG GLN A 94 12.276 10.943 -3.528 1.00 0.00 C ATOM 1456 CD GLN A 94 12.104 11.977 -4.623 1.00 0.00 C ATOM 1457 OE1 GLN A 94 13.027 12.732 -4.930 1.00 0.00 O ATOM 1458 NE2 GLN A 94 10.919 12.016 -5.220 1.00 0.00 N ATOM 0 H GLN A 94 10.840 8.330 -2.899 1.00 0.00 H new ATOM 0 HA GLN A 94 11.278 9.383 -5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.148 9.012 -3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.580 9.769 -4.751 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.327 10.806 -3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.990 11.314 -2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.182 11.371 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.745 12.691 -5.965 1.00 0.00 H new ATOM 1467 N ASP A 95 13.325 7.616 -6.079 1.00 0.00 N ATOM 1468 CA ASP A 95 13.979 6.450 -6.663 1.00 0.00 C ATOM 1469 C ASP A 95 14.608 5.580 -5.578 1.00 0.00 C ATOM 1470 O ASP A 95 15.156 6.090 -4.602 1.00 0.00 O ATOM 1471 CB ASP A 95 15.046 6.886 -7.667 1.00 0.00 C ATOM 1472 CG ASP A 95 16.234 7.550 -6.999 1.00 0.00 C ATOM 1473 OD1 ASP A 95 16.070 8.674 -6.479 1.00 0.00 O ATOM 1474 OD2 ASP A 95 17.327 6.947 -6.996 1.00 0.00 O ATOM 0 H ASP A 95 13.767 8.506 -6.308 1.00 0.00 H new ATOM 0 HA ASP A 95 13.222 5.862 -7.182 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.388 6.017 -8.229 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.604 7.577 -8.385 1.00 0.00 H new ATOM 1479 N GLN A 96 14.523 4.266 -5.758 1.00 0.00 N ATOM 1480 CA GLN A 96 15.083 3.326 -4.794 1.00 0.00 C ATOM 1481 C GLN A 96 14.477 3.540 -3.411 1.00 0.00 C ATOM 1482 O GLN A 96 15.196 3.648 -2.417 1.00 0.00 O ATOM 1483 CB GLN A 96 16.604 3.478 -4.726 1.00 0.00 C ATOM 1484 CG GLN A 96 17.327 2.901 -5.933 1.00 0.00 C ATOM 1485 CD GLN A 96 17.387 1.387 -5.908 1.00 0.00 C ATOM 1486 OE1 GLN A 96 17.926 0.791 -4.975 1.00 0.00 O ATOM 1487 NE2 GLN A 96 16.833 0.755 -6.936 1.00 0.00 N ATOM 0 H GLN A 96 14.072 3.828 -6.562 1.00 0.00 H new ATOM 0 HA GLN A 96 14.840 2.316 -5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.852 4.536 -4.636 1.00 0.00 H new ATOM 0 HB3 GLN A 96 16.970 2.987 -3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.823 3.226 -6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.340 3.300 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.397 1.289 -7.688 1.00 0.00 H new ATOM 0 HE22 GLN A 96 16.843 -0.264 -6.974 1.00 0.00 H new ATOM 1496 N ASP A 97 13.151 3.599 -3.354 1.00 0.00 N ATOM 1497 CA ASP A 97 12.448 3.799 -2.092 1.00 0.00 C ATOM 1498 C ASP A 97 11.957 2.470 -1.528 1.00 0.00 C ATOM 1499 O ASP A 97 11.488 1.605 -2.267 1.00 0.00 O ATOM 1500 CB ASP A 97 11.267 4.752 -2.287 1.00 0.00 C ATOM 1501 CG ASP A 97 10.959 5.554 -1.039 1.00 0.00 C ATOM 1502 OD1 ASP A 97 10.441 4.964 -0.068 1.00 0.00 O ATOM 1503 OD2 ASP A 97 11.234 6.773 -1.033 1.00 0.00 O ATOM 0 H ASP A 97 12.541 3.511 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 97 13.147 4.240 -1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.486 5.434 -3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.385 4.179 -2.574 1.00 0.00 H new ATOM 1508 N SER A 98 12.068 2.314 -0.212 1.00 0.00 N ATOM 1509 CA SER A 98 11.640 1.088 0.451 1.00 0.00 C ATOM 1510 C SER A 98 10.303 1.291 1.158 1.00 0.00 C ATOM 1511 O SER A 98 10.149 2.207 1.967 1.00 0.00 O ATOM 1512 CB SER A 98 12.698 0.632 1.458 1.00 0.00 C ATOM 1513 OG SER A 98 12.194 -0.391 2.299 1.00 0.00 O ATOM 0 H SER A 98 12.451 3.021 0.415 1.00 0.00 H new ATOM 0 HA SER A 98 11.516 0.317 -0.309 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.578 0.270 0.927 1.00 0.00 H new ATOM 0 HB3 SER A 98 13.018 1.480 2.063 1.00 0.00 H new ATOM 0 HG SER A 98 12.889 -0.666 2.932 1.00 0.00 H new ATOM 1519 N ILE A 99 9.340 0.431 0.846 1.00 0.00 N ATOM 1520 CA ILE A 99 8.016 0.515 1.451 1.00 0.00 C ATOM 1521 C ILE A 99 7.651 -0.787 2.155 1.00 0.00 C ATOM 1522 O ILE A 99 7.972 -1.876 1.677 1.00 0.00 O ATOM 1523 CB ILE A 99 6.937 0.838 0.401 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.472 1.846 -0.618 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.684 1.375 1.078 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.757 3.209 -0.028 1.00 0.00 C ATOM 0 H ILE A 99 9.451 -0.332 0.178 1.00 0.00 H new ATOM 0 HA ILE A 99 8.053 1.323 2.182 1.00 0.00 H new ATOM 0 HB ILE A 99 6.677 -0.080 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.387 1.452 -1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.748 1.953 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.930 1.599 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.295 0.627 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.928 2.284 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.133 3.872 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.840 3.624 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.504 3.115 0.760 1.00 0.00 H new ATOM 1538 N LEU A 100 6.976 -0.669 3.293 1.00 0.00 N ATOM 1539 CA LEU A 100 6.564 -1.837 4.064 1.00 0.00 C ATOM 1540 C LEU A 100 5.085 -1.753 4.432 1.00 0.00 C ATOM 1541 O LEU A 100 4.575 -0.680 4.754 1.00 0.00 O ATOM 1542 CB LEU A 100 7.410 -1.960 5.332 1.00 0.00 C ATOM 1543 CG LEU A 100 6.973 -3.034 6.329 1.00 0.00 C ATOM 1544 CD1 LEU A 100 7.435 -4.408 5.870 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.513 -2.724 7.718 1.00 0.00 C ATOM 0 H LEU A 100 6.702 0.224 3.703 1.00 0.00 H new ATOM 0 HA LEU A 100 6.716 -2.722 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.440 -2.162 5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.407 -0.997 5.842 1.00 0.00 H new ATOM 0 HG LEU A 100 5.884 -3.037 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.115 -5.159 6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.000 -4.632 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.522 -4.419 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.192 -3.499 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.602 -2.693 7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.132 -1.758 8.049 1.00 0.00 H new ATOM 1557 N PHE A 101 4.403 -2.892 4.383 1.00 0.00 N ATOM 1558 CA PHE A 101 2.984 -2.948 4.712 1.00 0.00 C ATOM 1559 C PHE A 101 2.690 -4.107 5.659 1.00 0.00 C ATOM 1560 O PHE A 101 3.169 -5.224 5.458 1.00 0.00 O ATOM 1561 CB PHE A 101 2.149 -3.092 3.438 1.00 0.00 C ATOM 1562 CG PHE A 101 2.392 -2.000 2.435 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.538 -2.001 1.656 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.476 -0.975 2.271 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.765 -0.998 0.733 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.697 0.031 1.349 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.843 0.019 0.578 1.00 0.00 C ATOM 0 H PHE A 101 4.810 -3.789 4.119 1.00 0.00 H new ATOM 0 HA PHE A 101 2.716 -2.017 5.211 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.369 -4.054 2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 101 1.092 -3.101 3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.262 -2.794 1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.578 -0.961 2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.663 -1.009 0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.975 0.825 1.232 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.018 0.803 -0.144 1.00 0.00 H new ATOM 1577 N ILE A 102 1.901 -3.834 6.693 1.00 0.00 N ATOM 1578 CA ILE A 102 1.543 -4.853 7.671 1.00 0.00 C ATOM 1579 C ILE A 102 0.031 -4.944 7.843 1.00 0.00 C ATOM 1580 O ILE A 102 -0.657 -3.926 7.922 1.00 0.00 O ATOM 1581 CB ILE A 102 2.188 -4.570 9.041 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.712 -4.664 8.940 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.660 -5.541 10.086 1.00 0.00 C ATOM 1584 CD1 ILE A 102 4.429 -4.226 10.198 1.00 0.00 C ATOM 0 H ILE A 102 1.498 -2.915 6.875 1.00 0.00 H new ATOM 0 HA ILE A 102 1.920 -5.802 7.290 1.00 0.00 H new ATOM 0 HB ILE A 102 1.924 -3.558 9.348 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.990 -5.693 8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.051 -4.050 8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.125 -5.328 11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.579 -5.430 10.173 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.897 -6.562 9.787 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.505 -4.319 10.054 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.180 -3.187 10.416 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.118 -4.856 11.032 1.00 0.00 H new ATOM 1596 N SER A 103 -0.481 -6.169 7.901 1.00 0.00 N ATOM 1597 CA SER A 103 -1.913 -6.393 8.061 1.00 0.00 C ATOM 1598 C SER A 103 -2.232 -6.873 9.474 1.00 0.00 C ATOM 1599 O SER A 103 -1.811 -7.954 9.886 1.00 0.00 O ATOM 1600 CB SER A 103 -2.408 -7.417 7.038 1.00 0.00 C ATOM 1601 OG SER A 103 -2.804 -6.784 5.834 1.00 0.00 O ATOM 0 H SER A 103 0.075 -7.022 7.840 1.00 0.00 H new ATOM 0 HA SER A 103 -2.426 -5.446 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.618 -8.139 6.830 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.248 -7.974 7.453 1.00 0.00 H new ATOM 0 HG SER A 103 -3.261 -7.432 5.258 1.00 0.00 H new ATOM 1607 N THR A 104 -2.982 -6.060 10.213 1.00 0.00 N ATOM 1608 CA THR A 104 -3.358 -6.399 11.579 1.00 0.00 C ATOM 1609 C THR A 104 -4.870 -6.535 11.715 1.00 0.00 C ATOM 1610 O THR A 104 -5.367 -7.109 12.685 1.00 0.00 O ATOM 1611 CB THR A 104 -2.858 -5.339 12.579 1.00 0.00 C ATOM 1612 OG1 THR A 104 -3.195 -5.728 13.915 1.00 0.00 O ATOM 1613 CG2 THR A 104 -3.463 -3.978 12.273 1.00 0.00 C ATOM 0 H THR A 104 -3.340 -5.162 9.887 1.00 0.00 H new ATOM 0 HA THR A 104 -2.887 -7.355 11.808 1.00 0.00 H new ATOM 0 HB THR A 104 -1.774 -5.266 12.485 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.971 -6.327 13.896 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.095 -3.246 12.992 1.00 0.00 H new ATOM 0 HG22 THR A 104 -3.179 -3.672 11.266 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.549 -4.039 12.341 1.00 0.00 H new ATOM 1621 N LEU A 105 -5.597 -6.006 10.738 1.00 0.00 N ATOM 1622 CA LEU A 105 -7.055 -6.070 10.748 1.00 0.00 C ATOM 1623 C LEU A 105 -7.554 -7.260 9.936 1.00 0.00 C ATOM 1624 O LEU A 105 -7.793 -7.148 8.733 1.00 0.00 O ATOM 1625 CB LEU A 105 -7.646 -4.774 10.190 1.00 0.00 C ATOM 1626 CG LEU A 105 -9.086 -4.463 10.597 1.00 0.00 C ATOM 1627 CD1 LEU A 105 -9.315 -2.960 10.646 1.00 0.00 C ATOM 1628 CD2 LEU A 105 -10.066 -5.123 9.638 1.00 0.00 C ATOM 0 H LEU A 105 -5.202 -5.528 9.928 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.381 -6.196 11.780 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.013 -3.944 10.506 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.598 -4.815 9.102 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.256 -4.868 11.595 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.346 -2.758 10.938 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.638 -2.512 11.373 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.126 -2.531 9.662 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.086 -4.891 9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.895 -4.749 8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.919 -6.203 9.654 1.00 0.00 H new ATOM 1640 N HIS A 106 -7.710 -8.400 10.602 1.00 0.00 N ATOM 1641 CA HIS A 106 -8.183 -9.612 9.942 1.00 0.00 C ATOM 1642 C HIS A 106 -9.693 -9.762 10.099 1.00 0.00 C ATOM 1643 O HIS A 106 -10.168 -10.487 10.972 1.00 0.00 O ATOM 1644 CB HIS A 106 -7.475 -10.840 10.515 1.00 0.00 C ATOM 1645 CG HIS A 106 -7.826 -12.116 9.813 1.00 0.00 C ATOM 1646 ND1 HIS A 106 -7.784 -12.256 8.441 1.00 0.00 N ATOM 1647 CD2 HIS A 106 -8.225 -13.314 10.300 1.00 0.00 C ATOM 1648 CE1 HIS A 106 -8.143 -13.485 8.116 1.00 0.00 C ATOM 1649 NE2 HIS A 106 -8.416 -14.147 9.225 1.00 0.00 N ATOM 0 H HIS A 106 -7.516 -8.510 11.597 1.00 0.00 H new ATOM 0 HA HIS A 106 -7.952 -9.531 8.880 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -6.397 -10.688 10.457 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -7.727 -10.935 11.571 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -8.367 -13.568 11.340 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -8.203 -13.881 7.113 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -8.720 -15.119 9.275 1.00 0.00 H new ATOM 1658 N GLY A 107 -10.444 -9.069 9.248 1.00 0.00 N ATOM 1659 CA GLY A 107 -11.892 -9.138 9.310 1.00 0.00 C ATOM 1660 C GLY A 107 -12.494 -7.993 10.100 1.00 0.00 C ATOM 1661 O GLY A 107 -12.759 -6.923 9.553 1.00 0.00 O ATOM 0 H GLY A 107 -10.075 -8.461 8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.297 -9.129 8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.188 -10.084 9.764 1.00 0.00 H new ATOM 1665 N GLY A 108 -12.711 -8.217 11.393 1.00 0.00 N ATOM 1666 CA GLY A 108 -13.286 -7.187 12.238 1.00 0.00 C ATOM 1667 C GLY A 108 -14.651 -7.570 12.773 1.00 0.00 C ATOM 1668 O GLY A 108 -14.869 -8.713 13.176 1.00 0.00 O ATOM 0 H GLY A 108 -12.499 -9.093 11.870 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.614 -6.990 13.073 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -13.369 -6.260 11.670 1.00 0.00 H new ATOM 1672 N SER A 109 -15.573 -6.613 12.778 1.00 0.00 N ATOM 1673 CA SER A 109 -16.924 -6.855 13.272 1.00 0.00 C ATOM 1674 C SER A 109 -17.900 -5.824 12.712 1.00 0.00 C ATOM 1675 O SER A 109 -17.641 -4.622 12.749 1.00 0.00 O ATOM 1676 CB SER A 109 -16.945 -6.815 14.801 1.00 0.00 C ATOM 1677 OG SER A 109 -16.550 -8.060 15.349 1.00 0.00 O ATOM 0 H SER A 109 -15.410 -5.663 12.446 1.00 0.00 H new ATOM 0 HA SER A 109 -17.235 -7.844 12.937 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.278 -6.030 15.157 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.947 -6.563 15.148 1.00 0.00 H new ATOM 0 HG SER A 109 -15.952 -8.518 14.722 1.00 0.00 H new ATOM 1683 N GLY A 110 -19.025 -6.306 12.192 1.00 0.00 N ATOM 1684 CA GLY A 110 -20.024 -5.415 11.631 1.00 0.00 C ATOM 1685 C GLY A 110 -21.157 -6.164 10.959 1.00 0.00 C ATOM 1686 O GLY A 110 -22.322 -6.040 11.337 1.00 0.00 O ATOM 0 H GLY A 110 -19.262 -7.297 12.149 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -20.429 -4.784 12.422 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -19.550 -4.753 10.906 1.00 0.00 H new ATOM 1690 N PRO A 111 -20.819 -6.963 9.936 1.00 0.00 N ATOM 1691 CA PRO A 111 -21.804 -7.750 9.187 1.00 0.00 C ATOM 1692 C PRO A 111 -22.384 -8.892 10.015 1.00 0.00 C ATOM 1693 O PRO A 111 -23.290 -9.596 9.571 1.00 0.00 O ATOM 1694 CB PRO A 111 -20.996 -8.301 8.009 1.00 0.00 C ATOM 1695 CG PRO A 111 -19.588 -8.329 8.495 1.00 0.00 C ATOM 1696 CD PRO A 111 -19.450 -7.160 9.431 1.00 0.00 C ATOM 0 HA PRO A 111 -22.664 -7.150 8.889 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -21.337 -9.297 7.726 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -21.098 -7.667 7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -19.370 -9.266 9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -18.887 -8.249 7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -18.750 -7.373 10.239 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -19.081 -6.274 8.915 1.00 0.00 H new ATOM 1704 N SER A 112 -21.855 -9.070 11.222 1.00 0.00 N ATOM 1705 CA SER A 112 -22.318 -10.129 12.111 1.00 0.00 C ATOM 1706 C SER A 112 -23.840 -10.113 12.227 1.00 0.00 C ATOM 1707 O SER A 112 -24.429 -9.131 12.676 1.00 0.00 O ATOM 1708 CB SER A 112 -21.688 -9.973 13.496 1.00 0.00 C ATOM 1709 OG SER A 112 -22.014 -8.717 14.066 1.00 0.00 O ATOM 0 H SER A 112 -21.106 -8.494 11.606 1.00 0.00 H new ATOM 0 HA SER A 112 -22.013 -11.086 11.687 1.00 0.00 H new ATOM 0 HB2 SER A 112 -22.035 -10.773 14.149 1.00 0.00 H new ATOM 0 HB3 SER A 112 -20.605 -10.071 13.420 1.00 0.00 H new ATOM 0 HG SER A 112 -22.866 -8.402 13.699 1.00 0.00 H new ATOM 1715 N SER A 113 -24.469 -11.211 11.819 1.00 0.00 N ATOM 1716 CA SER A 113 -25.922 -11.324 11.873 1.00 0.00 C ATOM 1717 C SER A 113 -26.350 -12.310 12.955 1.00 0.00 C ATOM 1718 O SER A 113 -27.237 -13.136 12.742 1.00 0.00 O ATOM 1719 CB SER A 113 -26.471 -11.767 10.516 1.00 0.00 C ATOM 1720 OG SER A 113 -26.380 -10.723 9.562 1.00 0.00 O ATOM 0 H SER A 113 -23.995 -12.034 11.448 1.00 0.00 H new ATOM 0 HA SER A 113 -26.329 -10.343 12.118 1.00 0.00 H new ATOM 0 HB2 SER A 113 -25.916 -12.636 10.162 1.00 0.00 H new ATOM 0 HB3 SER A 113 -27.511 -12.075 10.624 1.00 0.00 H new ATOM 0 HG SER A 113 -25.462 -10.381 9.538 1.00 0.00 H new ATOM 1726 N GLY A 114 -25.712 -12.217 14.118 1.00 0.00 N ATOM 1727 CA GLY A 114 -26.040 -13.107 15.217 1.00 0.00 C ATOM 1728 C GLY A 114 -26.304 -12.359 16.509 1.00 0.00 C ATOM 1729 O GLY A 114 -27.032 -11.367 16.522 1.00 0.00 O ATOM 0 H GLY A 114 -24.974 -11.542 14.319 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -26.920 -13.695 14.955 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -25.221 -13.810 15.368 1.00 0.00 H new TER 1733 GLY A 114