USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 MET CE :methyl -165:sc= -17.9! (180deg=-18!) USER MOD Set 1.2: A 87 GLN : amide:sc= -13.8! C(o=-32!,f=-37!) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -21.9! C(o=-22!,f=-15!) USER MOD Set 2.2: A 51 TYR OH : rot -161:sc= -0.452 USER MOD Set 3.1: A 24 MET CE :methyl -124:sc= -8.66! (180deg=-10.7!) USER MOD Set 3.2: A 39 CYS SG : rot 156:sc= -3.34! USER MOD Set 3.3: A 45 CYS SG : rot -142:sc= -13.5! USER MOD Set 3.4: A 48 CYS SG : rot 139:sc= 0.046 USER MOD Set 4.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 85 SER OG : rot -109:sc= 0.52! USER MOD Set 5.1: A 22 SER OG : rot 180:sc= 0.29 USER MOD Set 5.2: A 25 GLN : amide:sc= -3.94! K(o=-3.6!,f=-1.7) USER MOD Single : A 1 SER N :NH3+ -146:sc= -2.41! (180deg=-5.71!) USER MOD Single : A 1 SER OG : rot -146:sc= -2.38! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -107:sc= -3.89! USER MOD Single : A 7 SER OG : rot -51:sc= -6.97! USER MOD Single : A 8 HIS : no HE2:sc= -4.15! C(o=-4.2!,f=-12!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.119 USER MOD Single : A 30 ASN : amide:sc= -6.8! C(o=-6.8!,f=-5.2!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -18.1! C(o=-18!,f=-16!) USER MOD Single : A 57 THR OG1 : rot 88:sc= -1.21 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.98! C(o=-3!,f=-17!) USER MOD Single : A 73 CYS SG : rot -120:sc= -4.67! USER MOD Single : A 75 THR OG1 : rot -59:sc= 0.0372 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.507! C(o=-0.51!,f=-10!) USER MOD Single : A 82 SER OG : rot -67:sc= -4.77! USER MOD Single : A 90 MET CE :methyl 172:sc= -3.52! (180deg=-3.94!) USER MOD Single : A 91 THR OG1 : rot -93:sc= -2.12! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.002 -11.046 -9.079 1.00 0.00 N ATOM 2 CA SER A 1 2.373 -9.707 -9.624 1.00 0.00 C ATOM 3 C SER A 1 3.583 -9.143 -8.874 1.00 0.00 C ATOM 4 O SER A 1 3.734 -9.334 -7.683 1.00 0.00 O ATOM 5 CB SER A 1 1.148 -8.822 -9.390 1.00 0.00 C ATOM 6 OG SER A 1 0.195 -9.528 -8.604 1.00 0.00 O ATOM 0 H1 SER A 1 1.641 -11.646 -9.848 1.00 0.00 H new ATOM 0 H2 SER A 1 2.840 -11.493 -8.655 1.00 0.00 H new ATOM 0 H3 SER A 1 1.266 -10.934 -8.353 1.00 0.00 H new ATOM 0 HA SER A 1 2.644 -9.759 -10.678 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.442 -7.902 -8.885 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.707 -8.534 -10.344 1.00 0.00 H new ATOM 0 HG SER A 1 -0.710 -9.277 -8.884 1.00 0.00 H new ATOM 14 N LYS A 2 4.439 -8.443 -9.564 1.00 0.00 N ATOM 15 CA LYS A 2 5.636 -7.855 -8.902 1.00 0.00 C ATOM 16 C LYS A 2 5.247 -6.571 -8.171 1.00 0.00 C ATOM 17 O LYS A 2 4.489 -5.768 -8.678 1.00 0.00 O ATOM 18 CB LYS A 2 6.597 -7.533 -10.044 1.00 0.00 C ATOM 19 CG LYS A 2 8.039 -7.604 -9.539 1.00 0.00 C ATOM 20 CD LYS A 2 8.997 -7.629 -10.731 1.00 0.00 C ATOM 21 CE LYS A 2 10.341 -8.219 -10.294 1.00 0.00 C ATOM 22 NZ LYS A 2 11.300 -7.820 -11.361 1.00 0.00 N ATOM 0 H LYS A 2 4.360 -8.252 -10.563 1.00 0.00 H new ATOM 0 HA LYS A 2 6.077 -8.530 -8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.453 -8.238 -10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.388 -6.539 -10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.255 -6.746 -8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.178 -8.496 -8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.573 -8.224 -11.540 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.139 -6.620 -11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.646 -7.830 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.284 -9.303 -10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.246 -8.188 -11.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.987 -8.210 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.338 -6.783 -11.423 1.00 0.00 H new ATOM 36 N VAL A 3 5.759 -6.359 -6.991 1.00 0.00 N ATOM 37 CA VAL A 3 5.407 -5.118 -6.257 1.00 0.00 C ATOM 38 C VAL A 3 6.677 -4.397 -5.802 1.00 0.00 C ATOM 39 O VAL A 3 7.674 -5.011 -5.481 1.00 0.00 O ATOM 40 CB VAL A 3 4.571 -5.589 -5.065 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.613 -4.544 -3.952 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.125 -5.780 -5.517 1.00 0.00 C ATOM 0 H VAL A 3 6.401 -6.988 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 3 4.856 -4.407 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 3 4.976 -6.529 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.015 -4.887 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.644 -4.396 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.210 -3.602 -4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.522 -6.116 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.733 -4.834 -5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.087 -6.527 -6.310 1.00 0.00 H new ATOM 52 N VAL A 4 6.636 -3.096 -5.768 1.00 0.00 N ATOM 53 CA VAL A 4 7.830 -2.320 -5.327 1.00 0.00 C ATOM 54 C VAL A 4 7.405 -1.305 -4.282 1.00 0.00 C ATOM 55 O VAL A 4 6.441 -0.594 -4.445 1.00 0.00 O ATOM 56 CB VAL A 4 8.383 -1.653 -6.583 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.203 -0.415 -6.205 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.278 -2.643 -7.331 1.00 0.00 C ATOM 0 H VAL A 4 5.826 -2.533 -6.027 1.00 0.00 H new ATOM 0 HA VAL A 4 8.596 -2.944 -4.868 1.00 0.00 H new ATOM 0 HB VAL A 4 7.552 -1.350 -7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.593 0.053 -7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.568 0.294 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.033 -0.710 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.674 -2.169 -8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.103 -2.946 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.695 -3.520 -7.611 1.00 0.00 H new ATOM 68 N TYR A 5 8.100 -1.280 -3.193 1.00 0.00 N ATOM 69 CA TYR A 5 7.731 -0.375 -2.076 1.00 0.00 C ATOM 70 C TYR A 5 8.662 0.811 -1.945 1.00 0.00 C ATOM 71 O TYR A 5 9.861 0.679 -2.042 1.00 0.00 O ATOM 72 CB TYR A 5 7.901 -1.281 -0.880 1.00 0.00 C ATOM 73 CG TYR A 5 6.863 -2.337 -0.965 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.522 -1.972 -0.997 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.232 -3.678 -1.043 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.539 -2.950 -1.100 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.260 -4.646 -1.147 1.00 0.00 C ATOM 78 CZ TYR A 5 4.905 -4.297 -1.174 1.00 0.00 C ATOM 79 OH TYR A 5 3.938 -5.275 -1.286 1.00 0.00 O ATOM 0 H TYR A 5 8.924 -1.857 -3.022 1.00 0.00 H new ATOM 0 HA TYR A 5 6.739 0.058 -2.204 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.897 -1.723 -0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.797 -0.716 0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.244 -0.930 -0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.275 -3.956 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.496 -2.670 -1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.546 -5.686 -1.208 1.00 0.00 H new ATOM 0 HH TYR A 5 3.857 -5.754 -0.435 1.00 0.00 H new ATOM 89 N VAL A 6 8.118 1.964 -1.685 1.00 0.00 N ATOM 90 CA VAL A 6 9.004 3.154 -1.493 1.00 0.00 C ATOM 91 C VAL A 6 8.784 3.774 -0.120 1.00 0.00 C ATOM 92 O VAL A 6 7.710 3.707 0.443 1.00 0.00 O ATOM 93 CB VAL A 6 8.654 4.157 -2.585 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.722 5.257 -2.626 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.619 3.437 -3.922 1.00 0.00 C ATOM 0 H VAL A 6 7.117 2.138 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 6 10.052 2.861 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 6 7.681 4.604 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.474 5.976 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.758 5.765 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.694 4.812 -2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.369 4.146 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.596 2.998 -4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.867 2.649 -3.891 1.00 0.00 H new ATOM 105 N SER A 7 9.789 4.406 0.404 1.00 0.00 N ATOM 106 CA SER A 7 9.650 5.070 1.716 1.00 0.00 C ATOM 107 C SER A 7 9.806 6.569 1.502 1.00 0.00 C ATOM 108 O SER A 7 10.645 7.006 0.744 1.00 0.00 O ATOM 109 CB SER A 7 10.788 4.519 2.575 1.00 0.00 C ATOM 110 OG SER A 7 12.032 4.834 1.965 1.00 0.00 O ATOM 0 H SER A 7 10.709 4.490 -0.027 1.00 0.00 H new ATOM 0 HA SER A 7 8.687 4.891 2.194 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.743 4.946 3.577 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.687 3.439 2.684 1.00 0.00 H new ATOM 0 HG SER A 7 12.014 4.560 1.024 1.00 0.00 H new ATOM 116 N HIS A 8 9.004 7.362 2.135 1.00 0.00 N ATOM 117 CA HIS A 8 9.127 8.830 1.930 1.00 0.00 C ATOM 118 C HIS A 8 10.598 9.251 2.021 1.00 0.00 C ATOM 119 O HIS A 8 10.993 10.274 1.496 1.00 0.00 O ATOM 120 CB HIS A 8 8.292 9.470 3.038 1.00 0.00 C ATOM 121 CG HIS A 8 7.426 10.540 2.439 1.00 0.00 C ATOM 122 ND1 HIS A 8 6.265 10.241 1.747 1.00 0.00 N ATOM 123 CD2 HIS A 8 7.538 11.908 2.413 1.00 0.00 C ATOM 124 CE1 HIS A 8 5.727 11.403 1.335 1.00 0.00 C ATOM 125 NE2 HIS A 8 6.464 12.452 1.714 1.00 0.00 N ATOM 0 H HIS A 8 8.272 7.067 2.782 1.00 0.00 H new ATOM 0 HA HIS A 8 8.775 9.143 0.947 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.675 8.717 3.528 1.00 0.00 H new ATOM 0 HB3 HIS A 8 8.943 9.896 3.802 1.00 0.00 H new ATOM 0 HD1 HIS A 8 5.886 9.309 1.580 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.337 12.476 2.866 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.811 11.479 0.767 1.00 0.00 H new ATOM 133 N ASP A 9 11.419 8.466 2.671 1.00 0.00 N ATOM 134 CA ASP A 9 12.865 8.820 2.775 1.00 0.00 C ATOM 135 C ASP A 9 13.621 8.324 1.536 1.00 0.00 C ATOM 136 O ASP A 9 14.787 8.609 1.351 1.00 0.00 O ATOM 137 CB ASP A 9 13.361 8.109 4.037 1.00 0.00 C ATOM 138 CG ASP A 9 13.526 6.613 3.754 1.00 0.00 C ATOM 139 OD1 ASP A 9 14.583 6.235 3.278 1.00 0.00 O ATOM 140 OD2 ASP A 9 12.592 5.875 4.019 1.00 0.00 O ATOM 0 H ASP A 9 11.150 7.597 3.133 1.00 0.00 H new ATOM 0 HA ASP A 9 13.025 9.897 2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.312 8.536 4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.654 8.259 4.853 1.00 0.00 H new ATOM 145 N GLY A 10 12.957 7.593 0.683 1.00 0.00 N ATOM 146 CA GLY A 10 13.619 7.085 -0.554 1.00 0.00 C ATOM 147 C GLY A 10 13.813 5.566 -0.476 1.00 0.00 C ATOM 148 O GLY A 10 13.704 4.871 -1.467 1.00 0.00 O ATOM 0 H GLY A 10 11.979 7.324 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.015 7.336 -1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.584 7.574 -0.684 1.00 0.00 H new ATOM 152 N THR A 11 14.102 5.038 0.683 1.00 0.00 N ATOM 153 CA THR A 11 14.302 3.571 0.794 1.00 0.00 C ATOM 154 C THR A 11 13.133 2.853 0.128 1.00 0.00 C ATOM 155 O THR A 11 11.981 3.184 0.321 1.00 0.00 O ATOM 156 CB THR A 11 14.391 3.289 2.305 1.00 0.00 C ATOM 157 OG1 THR A 11 15.683 2.784 2.605 1.00 0.00 O ATOM 158 CG2 THR A 11 13.338 2.266 2.752 1.00 0.00 C ATOM 0 H THR A 11 14.207 5.560 1.553 1.00 0.00 H new ATOM 0 HA THR A 11 15.202 3.215 0.293 1.00 0.00 H new ATOM 0 HB THR A 11 14.206 4.222 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.749 2.603 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.432 2.092 3.824 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.342 2.650 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.492 1.328 2.218 1.00 0.00 H new ATOM 166 N ARG A 12 13.440 1.888 -0.668 1.00 0.00 N ATOM 167 CA ARG A 12 12.370 1.135 -1.386 1.00 0.00 C ATOM 168 C ARG A 12 12.535 -0.382 -1.199 1.00 0.00 C ATOM 169 O ARG A 12 13.623 -0.876 -0.982 1.00 0.00 O ATOM 170 CB ARG A 12 12.564 1.500 -2.860 1.00 0.00 C ATOM 171 CG ARG A 12 11.700 2.712 -3.211 1.00 0.00 C ATOM 172 CD ARG A 12 12.163 3.297 -4.548 1.00 0.00 C ATOM 173 NE ARG A 12 13.616 3.563 -4.369 1.00 0.00 N ATOM 174 CZ ARG A 12 14.494 2.867 -5.037 1.00 0.00 C ATOM 175 NH1 ARG A 12 14.249 2.520 -6.270 1.00 0.00 N ATOM 176 NH2 ARG A 12 15.618 2.519 -4.473 1.00 0.00 N ATOM 0 H ARG A 12 14.392 1.577 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 12 11.379 1.389 -1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.613 1.721 -3.054 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.294 0.654 -3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.652 2.419 -3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.775 3.465 -2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.987 2.599 -5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.621 4.212 -4.788 1.00 0.00 H new ATOM 0 HE ARG A 12 13.926 4.290 -3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.371 2.793 -6.712 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.935 1.976 -6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.811 2.791 -3.509 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.304 1.975 -4.996 1.00 0.00 H new ATOM 190 N ARG A 13 11.461 -1.126 -1.316 1.00 0.00 N ATOM 191 CA ARG A 13 11.554 -2.614 -1.184 1.00 0.00 C ATOM 192 C ARG A 13 10.733 -3.281 -2.292 1.00 0.00 C ATOM 193 O ARG A 13 9.544 -3.066 -2.411 1.00 0.00 O ATOM 194 CB ARG A 13 10.996 -3.021 0.201 1.00 0.00 C ATOM 195 CG ARG A 13 10.128 -1.930 0.844 1.00 0.00 C ATOM 196 CD ARG A 13 10.679 -1.591 2.230 1.00 0.00 C ATOM 197 NE ARG A 13 9.605 -1.993 3.174 1.00 0.00 N ATOM 198 CZ ARG A 13 9.717 -1.721 4.447 1.00 0.00 C ATOM 199 NH1 ARG A 13 10.520 -2.426 5.196 1.00 0.00 N ATOM 200 NH2 ARG A 13 9.026 -0.745 4.968 1.00 0.00 N ATOM 0 H ARG A 13 10.524 -0.766 -1.497 1.00 0.00 H new ATOM 0 HA ARG A 13 12.592 -2.934 -1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.406 -3.931 0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.827 -3.255 0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.121 -1.039 0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.096 -2.272 0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.604 -2.131 2.431 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.905 -0.528 2.317 1.00 0.00 H new ATOM 0 HE ARG A 13 8.779 -2.482 2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.060 -3.189 4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.608 -2.214 6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.399 -0.195 4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.113 -0.532 5.962 1.00 0.00 H new ATOM 214 N GLU A 14 11.358 -4.088 -3.106 1.00 0.00 N ATOM 215 CA GLU A 14 10.613 -4.766 -4.207 1.00 0.00 C ATOM 216 C GLU A 14 10.161 -6.158 -3.761 1.00 0.00 C ATOM 217 O GLU A 14 10.963 -6.981 -3.365 1.00 0.00 O ATOM 218 CB GLU A 14 11.615 -4.872 -5.356 1.00 0.00 C ATOM 219 CG GLU A 14 12.309 -3.523 -5.555 1.00 0.00 C ATOM 220 CD GLU A 14 13.033 -3.515 -6.902 1.00 0.00 C ATOM 221 OE1 GLU A 14 13.225 -4.586 -7.456 1.00 0.00 O ATOM 222 OE2 GLU A 14 13.385 -2.439 -7.357 1.00 0.00 O ATOM 0 H GLU A 14 12.353 -4.308 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 14 9.716 -4.218 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.353 -5.644 -5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.104 -5.169 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.577 -2.717 -5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.019 -3.345 -4.747 1.00 0.00 H new ATOM 229 N LEU A 15 8.885 -6.433 -3.822 1.00 0.00 N ATOM 230 CA LEU A 15 8.401 -7.776 -3.399 1.00 0.00 C ATOM 231 C LEU A 15 7.931 -8.580 -4.605 1.00 0.00 C ATOM 232 O LEU A 15 7.390 -8.047 -5.553 1.00 0.00 O ATOM 233 CB LEU A 15 7.212 -7.520 -2.464 1.00 0.00 C ATOM 234 CG LEU A 15 7.684 -7.411 -1.009 1.00 0.00 C ATOM 235 CD1 LEU A 15 6.488 -7.448 -0.065 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.536 -8.586 -0.644 1.00 0.00 C ATOM 0 H LEU A 15 8.162 -5.789 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 15 9.195 -8.342 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.703 -6.602 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.488 -8.329 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 15 8.239 -6.477 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.835 -7.370 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.823 -6.614 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.950 -8.387 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.862 -8.491 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.960 -9.504 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.408 -8.620 -1.297 1.00 0.00 H new ATOM 248 N ASP A 16 8.104 -9.867 -4.554 1.00 0.00 N ATOM 249 CA ASP A 16 7.636 -10.723 -5.671 1.00 0.00 C ATOM 250 C ASP A 16 6.301 -11.329 -5.258 1.00 0.00 C ATOM 251 O ASP A 16 6.240 -12.391 -4.673 1.00 0.00 O ATOM 252 CB ASP A 16 8.705 -11.804 -5.832 1.00 0.00 C ATOM 253 CG ASP A 16 9.882 -11.246 -6.634 1.00 0.00 C ATOM 254 OD1 ASP A 16 9.665 -10.845 -7.766 1.00 0.00 O ATOM 255 OD2 ASP A 16 10.980 -11.227 -6.103 1.00 0.00 O ATOM 0 H ASP A 16 8.551 -10.364 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 16 7.495 -10.185 -6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.046 -12.141 -4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.285 -12.672 -6.340 1.00 0.00 H new ATOM 260 N VAL A 17 5.233 -10.637 -5.527 1.00 0.00 N ATOM 261 CA VAL A 17 3.899 -11.142 -5.116 1.00 0.00 C ATOM 262 C VAL A 17 3.193 -11.818 -6.289 1.00 0.00 C ATOM 263 O VAL A 17 3.623 -11.729 -7.421 1.00 0.00 O ATOM 264 CB VAL A 17 3.138 -9.891 -4.676 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.672 -10.246 -4.445 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.744 -9.360 -3.376 1.00 0.00 C ATOM 0 H VAL A 17 5.227 -9.741 -6.015 1.00 0.00 H new ATOM 0 HA VAL A 17 3.963 -11.889 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 17 3.210 -9.127 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.127 -9.356 -4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.240 -10.628 -5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.600 -11.008 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.203 -8.468 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.669 -10.123 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.792 -9.110 -3.539 1.00 0.00 H new ATOM 276 N ALA A 18 2.116 -12.501 -6.020 1.00 0.00 N ATOM 277 CA ALA A 18 1.384 -13.196 -7.118 1.00 0.00 C ATOM 278 C ALA A 18 -0.089 -12.770 -7.143 1.00 0.00 C ATOM 279 O ALA A 18 -0.406 -11.600 -7.076 1.00 0.00 O ATOM 280 CB ALA A 18 1.508 -14.684 -6.796 1.00 0.00 C ATOM 0 H ALA A 18 1.711 -12.609 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 18 1.793 -12.953 -8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.993 -15.266 -7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.561 -14.965 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.059 -14.884 -5.823 1.00 0.00 H new ATOM 286 N ASP A 19 -0.990 -13.712 -7.250 1.00 0.00 N ATOM 287 CA ASP A 19 -2.432 -13.370 -7.293 1.00 0.00 C ATOM 288 C ASP A 19 -3.115 -13.774 -5.984 1.00 0.00 C ATOM 289 O ASP A 19 -3.072 -14.916 -5.574 1.00 0.00 O ATOM 290 CB ASP A 19 -2.975 -14.185 -8.469 1.00 0.00 C ATOM 291 CG ASP A 19 -3.202 -15.639 -8.040 1.00 0.00 C ATOM 292 OD1 ASP A 19 -2.238 -16.385 -8.011 1.00 0.00 O ATOM 293 OD2 ASP A 19 -4.337 -15.978 -7.747 1.00 0.00 O ATOM 0 H ASP A 19 -0.781 -14.709 -7.309 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.611 -12.301 -7.413 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.911 -13.751 -8.821 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.273 -14.149 -9.302 1.00 0.00 H new ATOM 298 N GLY A 20 -3.750 -12.844 -5.333 1.00 0.00 N ATOM 299 CA GLY A 20 -4.444 -13.169 -4.056 1.00 0.00 C ATOM 300 C GLY A 20 -3.713 -12.521 -2.880 1.00 0.00 C ATOM 301 O GLY A 20 -4.195 -12.525 -1.764 1.00 0.00 O ATOM 0 H GLY A 20 -3.820 -11.870 -5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.474 -12.815 -4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.483 -14.250 -3.919 1.00 0.00 H new ATOM 305 N VAL A 21 -2.557 -11.957 -3.110 1.00 0.00 N ATOM 306 CA VAL A 21 -1.821 -11.311 -1.985 1.00 0.00 C ATOM 307 C VAL A 21 -2.068 -9.803 -1.981 1.00 0.00 C ATOM 308 O VAL A 21 -2.617 -9.238 -2.904 1.00 0.00 O ATOM 309 CB VAL A 21 -0.337 -11.576 -2.242 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.503 -10.950 -1.129 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.057 -13.076 -2.279 1.00 0.00 C ATOM 0 H VAL A 21 -2.095 -11.916 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.150 -11.708 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.075 -11.135 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.559 -11.142 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.329 -9.874 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.221 -11.386 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.004 -13.244 -2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.334 -13.522 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.641 -13.535 -3.077 1.00 0.00 H new ATOM 321 N SER A 22 -1.638 -9.163 -0.941 1.00 0.00 N ATOM 322 CA SER A 22 -1.790 -7.687 -0.818 1.00 0.00 C ATOM 323 C SER A 22 -0.398 -7.060 -0.678 1.00 0.00 C ATOM 324 O SER A 22 0.525 -7.706 -0.222 1.00 0.00 O ATOM 325 CB SER A 22 -2.605 -7.482 0.463 1.00 0.00 C ATOM 326 OG SER A 22 -2.766 -8.729 1.129 1.00 0.00 O ATOM 0 H SER A 22 -1.175 -9.608 -0.148 1.00 0.00 H new ATOM 0 HA SER A 22 -2.277 -7.230 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.101 -6.771 1.117 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.580 -7.058 0.222 1.00 0.00 H new ATOM 0 HG SER A 22 -3.286 -8.597 1.949 1.00 0.00 H new ATOM 332 N LEU A 23 -0.219 -5.820 -1.053 1.00 0.00 N ATOM 333 CA LEU A 23 1.140 -5.219 -0.908 1.00 0.00 C ATOM 334 C LEU A 23 1.665 -5.493 0.494 1.00 0.00 C ATOM 335 O LEU A 23 2.854 -5.495 0.738 1.00 0.00 O ATOM 336 CB LEU A 23 0.983 -3.709 -1.131 1.00 0.00 C ATOM 337 CG LEU A 23 0.286 -3.441 -2.469 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.565 -2.002 -2.904 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.823 -4.399 -3.537 1.00 0.00 C ATOM 0 H LEU A 23 -0.936 -5.210 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 23 1.844 -5.643 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.404 -3.272 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.961 -3.229 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.787 -3.594 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.071 -1.807 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.184 -1.314 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.640 -1.858 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.323 -4.203 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.896 -4.249 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.632 -5.428 -3.232 1.00 0.00 H new ATOM 351 N MET A 24 0.788 -5.729 1.423 1.00 0.00 N ATOM 352 CA MET A 24 1.250 -6.005 2.801 1.00 0.00 C ATOM 353 C MET A 24 1.626 -7.462 2.955 1.00 0.00 C ATOM 354 O MET A 24 2.750 -7.786 3.235 1.00 0.00 O ATOM 355 CB MET A 24 0.076 -5.651 3.714 1.00 0.00 C ATOM 356 CG MET A 24 0.182 -6.444 5.016 1.00 0.00 C ATOM 357 SD MET A 24 -0.272 -5.388 6.407 1.00 0.00 S ATOM 358 CE MET A 24 -0.495 -6.726 7.597 1.00 0.00 C ATOM 0 H MET A 24 -0.223 -5.742 1.287 1.00 0.00 H new ATOM 0 HA MET A 24 2.138 -5.423 3.049 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.077 -4.582 3.926 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.867 -5.876 3.215 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.473 -7.314 4.978 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.198 -6.816 5.145 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.498 -6.673 8.020 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.363 -7.685 7.096 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.241 -6.630 8.395 1.00 0.00 H new ATOM 368 N GLN A 25 0.685 -8.326 2.788 1.00 0.00 N ATOM 369 CA GLN A 25 0.947 -9.773 2.966 1.00 0.00 C ATOM 370 C GLN A 25 2.351 -10.152 2.462 1.00 0.00 C ATOM 371 O GLN A 25 3.137 -10.700 3.208 1.00 0.00 O ATOM 372 CB GLN A 25 -0.139 -10.398 2.114 1.00 0.00 C ATOM 373 CG GLN A 25 -0.010 -11.917 2.083 1.00 0.00 C ATOM 374 CD GLN A 25 -1.336 -12.521 1.607 1.00 0.00 C ATOM 375 OE1 GLN A 25 -1.518 -13.721 1.654 1.00 0.00 O ATOM 376 NE2 GLN A 25 -2.283 -11.736 1.145 1.00 0.00 N ATOM 0 H GLN A 25 -0.274 -8.092 2.531 1.00 0.00 H new ATOM 0 HA GLN A 25 0.928 -10.100 4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.117 -10.121 2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.080 -10.005 1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.799 -12.213 1.415 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.241 -12.294 3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.135 -10.728 1.104 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.167 -12.135 0.828 1.00 0.00 H new ATOM 385 N ALA A 26 2.711 -9.846 1.240 1.00 0.00 N ATOM 386 CA ALA A 26 4.101 -10.194 0.813 1.00 0.00 C ATOM 387 C ALA A 26 5.068 -9.432 1.717 1.00 0.00 C ATOM 388 O ALA A 26 5.987 -9.987 2.287 1.00 0.00 O ATOM 389 CB ALA A 26 4.266 -9.721 -0.639 1.00 0.00 C ATOM 0 H ALA A 26 2.127 -9.387 0.541 1.00 0.00 H new ATOM 0 HA ALA A 26 4.296 -11.264 0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.271 -9.958 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.535 -10.225 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.109 -8.644 -0.691 1.00 0.00 H new ATOM 395 N ALA A 27 4.845 -8.148 1.853 1.00 0.00 N ATOM 396 CA ALA A 27 5.717 -7.302 2.721 1.00 0.00 C ATOM 397 C ALA A 27 5.693 -7.864 4.144 1.00 0.00 C ATOM 398 O ALA A 27 6.690 -8.295 4.689 1.00 0.00 O ATOM 399 CB ALA A 27 5.045 -5.930 2.685 1.00 0.00 C ATOM 0 H ALA A 27 4.086 -7.645 1.393 1.00 0.00 H new ATOM 0 HA ALA A 27 6.757 -7.266 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.614 -5.230 3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.011 -5.568 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.030 -6.012 3.075 1.00 0.00 H new ATOM 405 N VAL A 28 4.521 -7.874 4.711 1.00 0.00 N ATOM 406 CA VAL A 28 4.284 -8.416 6.076 1.00 0.00 C ATOM 407 C VAL A 28 5.282 -9.542 6.396 1.00 0.00 C ATOM 408 O VAL A 28 6.043 -9.463 7.340 1.00 0.00 O ATOM 409 CB VAL A 28 2.836 -8.927 5.941 1.00 0.00 C ATOM 410 CG1 VAL A 28 2.715 -10.426 6.256 1.00 0.00 C ATOM 411 CG2 VAL A 28 1.906 -8.163 6.869 1.00 0.00 C ATOM 0 H VAL A 28 3.680 -7.511 4.262 1.00 0.00 H new ATOM 0 HA VAL A 28 4.418 -7.703 6.889 1.00 0.00 H new ATOM 0 HB VAL A 28 2.550 -8.764 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.676 -10.738 6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.339 -10.994 5.566 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.044 -10.611 7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.890 -8.540 6.757 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.231 -8.297 7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.929 -7.103 6.616 1.00 0.00 H new ATOM 421 N SER A 29 5.284 -10.579 5.609 1.00 0.00 N ATOM 422 CA SER A 29 6.228 -11.710 5.848 1.00 0.00 C ATOM 423 C SER A 29 7.645 -11.207 5.686 1.00 0.00 C ATOM 424 O SER A 29 8.502 -11.410 6.523 1.00 0.00 O ATOM 425 CB SER A 29 5.893 -12.695 4.753 1.00 0.00 C ATOM 426 OG SER A 29 7.047 -12.969 3.969 1.00 0.00 O ATOM 0 H SER A 29 4.669 -10.695 4.804 1.00 0.00 H new ATOM 0 HA SER A 29 6.145 -12.149 6.842 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.513 -13.619 5.189 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.102 -12.292 4.121 1.00 0.00 H new ATOM 0 HG SER A 29 6.819 -13.610 3.264 1.00 0.00 H new ATOM 432 N ASN A 30 7.875 -10.507 4.617 1.00 0.00 N ATOM 433 CA ASN A 30 9.212 -9.929 4.384 1.00 0.00 C ATOM 434 C ASN A 30 9.537 -8.994 5.544 1.00 0.00 C ATOM 435 O ASN A 30 10.656 -8.551 5.710 1.00 0.00 O ATOM 436 CB ASN A 30 9.062 -9.151 3.080 1.00 0.00 C ATOM 437 CG ASN A 30 9.608 -9.989 1.927 1.00 0.00 C ATOM 438 OD1 ASN A 30 10.805 -10.120 1.764 1.00 0.00 O ATOM 439 ND2 ASN A 30 8.768 -10.567 1.112 1.00 0.00 N ATOM 0 H ASN A 30 7.186 -10.311 3.891 1.00 0.00 H new ATOM 0 HA ASN A 30 10.011 -10.667 4.319 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.013 -8.911 2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.600 -8.205 3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.116 -11.130 0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.764 -10.455 1.251 1.00 0.00 H new ATOM 446 N GLY A 31 8.554 -8.696 6.357 1.00 0.00 N ATOM 447 CA GLY A 31 8.805 -7.790 7.516 1.00 0.00 C ATOM 448 C GLY A 31 8.583 -6.344 7.091 1.00 0.00 C ATOM 449 O GLY A 31 8.537 -5.450 7.912 1.00 0.00 O ATOM 0 H GLY A 31 7.597 -9.038 6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.138 -8.044 8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.825 -7.921 7.879 1.00 0.00 H new ATOM 453 N ILE A 32 8.432 -6.105 5.815 1.00 0.00 N ATOM 454 CA ILE A 32 8.195 -4.712 5.347 1.00 0.00 C ATOM 455 C ILE A 32 7.191 -4.043 6.285 1.00 0.00 C ATOM 456 O ILE A 32 7.220 -2.846 6.494 1.00 0.00 O ATOM 457 CB ILE A 32 7.637 -4.870 3.928 1.00 0.00 C ATOM 458 CG1 ILE A 32 8.801 -5.013 2.944 1.00 0.00 C ATOM 459 CG2 ILE A 32 6.791 -3.650 3.542 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.266 -5.007 1.511 1.00 0.00 C ATOM 0 H ILE A 32 8.463 -6.812 5.081 1.00 0.00 H new ATOM 0 HA ILE A 32 9.089 -4.088 5.344 1.00 0.00 H new ATOM 0 HB ILE A 32 7.005 -5.758 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.509 -4.196 3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.342 -5.940 3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.404 -3.781 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.959 -3.549 4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.408 -2.752 3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.096 -5.109 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.575 -5.839 1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.745 -4.069 1.321 1.00 0.00 H new ATOM 472 N TYR A 33 6.304 -4.813 6.857 1.00 0.00 N ATOM 473 CA TYR A 33 5.304 -4.214 7.789 1.00 0.00 C ATOM 474 C TYR A 33 5.411 -4.755 9.207 1.00 0.00 C ATOM 475 O TYR A 33 4.502 -5.384 9.713 1.00 0.00 O ATOM 476 CB TYR A 33 3.954 -4.542 7.189 1.00 0.00 C ATOM 477 CG TYR A 33 3.864 -3.770 5.923 1.00 0.00 C ATOM 478 CD1 TYR A 33 4.184 -2.407 5.925 1.00 0.00 C ATOM 479 CD2 TYR A 33 3.505 -4.408 4.746 1.00 0.00 C ATOM 480 CE1 TYR A 33 4.136 -1.677 4.739 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.460 -3.691 3.558 1.00 0.00 C ATOM 482 CZ TYR A 33 3.772 -2.319 3.543 1.00 0.00 C ATOM 483 OH TYR A 33 3.727 -1.609 2.361 1.00 0.00 O ATOM 0 H TYR A 33 6.228 -5.821 6.721 1.00 0.00 H new ATOM 0 HA TYR A 33 5.471 -3.141 7.887 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.862 -5.612 7.000 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.148 -4.268 7.870 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.468 -1.921 6.847 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.261 -5.460 4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.377 -0.624 4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.184 -4.189 2.640 1.00 0.00 H new ATOM 0 HH TYR A 33 3.458 -2.205 1.631 1.00 0.00 H new ATOM 559 N CYS A 39 -4.901 -4.748 11.236 1.00 0.00 N ATOM 560 CA CYS A 39 -5.270 -5.472 9.984 1.00 0.00 C ATOM 561 C CYS A 39 -4.851 -6.940 10.048 1.00 0.00 C ATOM 562 O CYS A 39 -5.526 -7.803 9.523 1.00 0.00 O ATOM 563 CB CYS A 39 -4.477 -4.746 8.916 1.00 0.00 C ATOM 564 SG CYS A 39 -2.726 -4.755 9.384 1.00 0.00 S ATOM 0 HA CYS A 39 -6.345 -5.475 9.803 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.612 -5.232 7.950 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.835 -3.722 8.811 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.992 -4.624 8.319 1.00 0.00 H new ATOM 569 N GLY A 40 -3.740 -7.236 10.671 1.00 0.00 N ATOM 570 CA GLY A 40 -3.292 -8.654 10.736 1.00 0.00 C ATOM 571 C GLY A 40 -3.458 -9.275 9.350 1.00 0.00 C ATOM 572 O GLY A 40 -3.731 -10.450 9.208 1.00 0.00 O ATOM 0 H GLY A 40 -3.130 -6.562 11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.251 -8.709 11.054 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.879 -9.204 11.471 1.00 0.00 H new ATOM 576 N GLY A 41 -3.309 -8.477 8.327 1.00 0.00 N ATOM 577 CA GLY A 41 -3.474 -8.994 6.941 1.00 0.00 C ATOM 578 C GLY A 41 -4.965 -9.071 6.606 1.00 0.00 C ATOM 579 O GLY A 41 -5.410 -9.965 5.915 1.00 0.00 O ATOM 0 H GLY A 41 -3.079 -7.485 8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.963 -8.341 6.233 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.018 -9.980 6.851 1.00 0.00 H new ATOM 583 N SER A 42 -5.745 -8.138 7.094 1.00 0.00 N ATOM 584 CA SER A 42 -7.207 -8.167 6.800 1.00 0.00 C ATOM 585 C SER A 42 -7.743 -6.756 6.538 1.00 0.00 C ATOM 586 O SER A 42 -8.935 -6.546 6.427 1.00 0.00 O ATOM 587 CB SER A 42 -7.852 -8.764 8.051 1.00 0.00 C ATOM 588 OG SER A 42 -8.983 -9.537 7.672 1.00 0.00 O ATOM 0 H SER A 42 -5.433 -7.363 7.679 1.00 0.00 H new ATOM 0 HA SER A 42 -7.428 -8.750 5.906 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.133 -9.387 8.583 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.152 -7.969 8.734 1.00 0.00 H new ATOM 0 HG SER A 42 -9.398 -9.923 8.471 1.00 0.00 H new ATOM 594 N ALA A 43 -6.876 -5.789 6.425 1.00 0.00 N ATOM 595 CA ALA A 43 -7.336 -4.392 6.155 1.00 0.00 C ATOM 596 C ALA A 43 -8.083 -3.813 7.354 1.00 0.00 C ATOM 597 O ALA A 43 -9.191 -3.329 7.255 1.00 0.00 O ATOM 598 CB ALA A 43 -8.259 -4.502 4.964 1.00 0.00 C ATOM 0 H ALA A 43 -5.866 -5.903 6.508 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.494 -3.725 5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.638 -3.513 4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.712 -4.914 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.094 -5.158 5.210 1.00 0.00 H new ATOM 604 N SER A 44 -7.447 -3.850 8.468 1.00 0.00 N ATOM 605 CA SER A 44 -8.008 -3.291 9.723 1.00 0.00 C ATOM 606 C SER A 44 -6.920 -2.421 10.358 1.00 0.00 C ATOM 607 O SER A 44 -6.797 -2.349 11.564 1.00 0.00 O ATOM 608 CB SER A 44 -8.314 -4.502 10.603 1.00 0.00 C ATOM 609 OG SER A 44 -9.671 -4.443 11.027 1.00 0.00 O ATOM 0 H SER A 44 -6.520 -4.261 8.574 1.00 0.00 H new ATOM 0 HA SER A 44 -8.903 -2.686 9.577 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.134 -5.423 10.049 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.651 -4.515 11.468 1.00 0.00 H new ATOM 0 HG SER A 44 -9.872 -5.219 11.590 1.00 0.00 H new ATOM 615 N CYS A 45 -6.073 -1.820 9.548 1.00 0.00 N ATOM 616 CA CYS A 45 -4.943 -1.036 10.138 1.00 0.00 C ATOM 617 C CYS A 45 -5.004 0.478 9.957 1.00 0.00 C ATOM 618 O CYS A 45 -5.481 1.007 8.980 1.00 0.00 O ATOM 619 CB CYS A 45 -3.660 -1.576 9.495 1.00 0.00 C ATOM 620 SG CYS A 45 -3.881 -1.911 7.726 1.00 0.00 S ATOM 0 H CYS A 45 -6.115 -1.839 8.529 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.991 -1.171 11.219 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.854 -0.854 9.630 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.357 -2.491 10.003 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.233 -2.991 7.405 1.00 0.00 H new ATOM 625 N ALA A 46 -4.444 1.168 10.911 1.00 0.00 N ATOM 626 CA ALA A 46 -4.365 2.647 10.846 1.00 0.00 C ATOM 627 C ALA A 46 -2.899 3.060 10.653 1.00 0.00 C ATOM 628 O ALA A 46 -2.579 4.228 10.564 1.00 0.00 O ATOM 629 CB ALA A 46 -4.886 3.130 12.199 1.00 0.00 C ATOM 0 H ALA A 46 -4.031 0.757 11.748 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.940 3.070 10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.860 4.219 12.231 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.912 2.788 12.337 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.259 2.728 12.995 1.00 0.00 H new ATOM 635 N THR A 47 -2.002 2.101 10.619 1.00 0.00 N ATOM 636 CA THR A 47 -0.552 2.432 10.465 1.00 0.00 C ATOM 637 C THR A 47 -0.005 2.012 9.094 1.00 0.00 C ATOM 638 O THR A 47 0.961 2.574 8.618 1.00 0.00 O ATOM 639 CB THR A 47 0.147 1.650 11.577 1.00 0.00 C ATOM 640 OG1 THR A 47 1.551 1.679 11.362 1.00 0.00 O ATOM 641 CG2 THR A 47 -0.342 0.202 11.576 1.00 0.00 C ATOM 0 H THR A 47 -2.213 1.106 10.691 1.00 0.00 H new ATOM 0 HA THR A 47 -0.385 3.507 10.532 1.00 0.00 H new ATOM 0 HB THR A 47 -0.084 2.105 12.540 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.001 1.179 12.075 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.159 -0.352 12.370 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.419 0.182 11.743 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.115 -0.258 10.614 1.00 0.00 H new ATOM 649 N CYS A 48 -0.595 1.039 8.445 1.00 0.00 N ATOM 650 CA CYS A 48 -0.060 0.633 7.106 1.00 0.00 C ATOM 651 C CYS A 48 -0.475 1.639 6.026 1.00 0.00 C ATOM 652 O CYS A 48 -0.361 1.369 4.848 1.00 0.00 O ATOM 653 CB CYS A 48 -0.633 -0.752 6.802 1.00 0.00 C ATOM 654 SG CYS A 48 -0.443 -1.854 8.225 1.00 0.00 S ATOM 0 H CYS A 48 -1.407 0.517 8.774 1.00 0.00 H new ATOM 0 HA CYS A 48 1.030 0.610 7.116 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.688 -0.665 6.542 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.126 -1.178 5.936 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.522 -2.565 8.370 1.00 0.00 H new ATOM 659 N HIS A 49 -0.932 2.806 6.406 1.00 0.00 N ATOM 660 CA HIS A 49 -1.309 3.817 5.378 1.00 0.00 C ATOM 661 C HIS A 49 -0.145 3.942 4.385 1.00 0.00 C ATOM 662 O HIS A 49 1.003 3.999 4.780 1.00 0.00 O ATOM 663 CB HIS A 49 -1.518 5.125 6.168 1.00 0.00 C ATOM 664 CG HIS A 49 -1.769 6.273 5.224 1.00 0.00 C ATOM 665 ND1 HIS A 49 -0.887 6.596 4.216 1.00 0.00 N ATOM 666 CD2 HIS A 49 -2.803 7.180 5.110 1.00 0.00 C ATOM 667 CE1 HIS A 49 -1.400 7.635 3.552 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.560 8.035 4.053 1.00 0.00 N ATOM 0 H HIS A 49 -1.059 3.098 7.375 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.204 3.560 4.811 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.361 5.015 6.850 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.639 5.333 6.779 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.672 7.216 5.751 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.923 8.098 2.701 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.145 8.805 3.729 1.00 0.00 H new ATOM 676 N VAL A 50 -0.414 3.991 3.104 1.00 0.00 N ATOM 677 CA VAL A 50 0.700 4.115 2.119 1.00 0.00 C ATOM 678 C VAL A 50 0.155 4.633 0.799 1.00 0.00 C ATOM 679 O VAL A 50 -1.039 4.727 0.606 1.00 0.00 O ATOM 680 CB VAL A 50 1.267 2.707 1.933 1.00 0.00 C ATOM 681 CG1 VAL A 50 2.057 2.295 3.176 1.00 0.00 C ATOM 682 CG2 VAL A 50 0.119 1.725 1.699 1.00 0.00 C ATOM 0 H VAL A 50 -1.350 3.951 2.701 1.00 0.00 H new ATOM 0 HA VAL A 50 1.468 4.808 2.464 1.00 0.00 H new ATOM 0 HB VAL A 50 1.934 2.697 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.458 1.291 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.878 2.995 3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.399 2.305 4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.521 0.721 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.551 1.737 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.433 2.016 0.805 1.00 0.00 H new ATOM 692 N TYR A 51 1.018 4.981 -0.106 1.00 0.00 N ATOM 693 CA TYR A 51 0.542 5.512 -1.408 1.00 0.00 C ATOM 694 C TYR A 51 1.024 4.649 -2.578 1.00 0.00 C ATOM 695 O TYR A 51 2.205 4.447 -2.776 1.00 0.00 O ATOM 696 CB TYR A 51 1.142 6.914 -1.468 1.00 0.00 C ATOM 697 CG TYR A 51 0.375 7.856 -0.552 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.905 7.506 -0.079 1.00 0.00 C ATOM 699 CD2 TYR A 51 0.925 9.105 -0.208 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.630 8.397 0.711 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.197 9.992 0.598 1.00 0.00 C ATOM 702 CZ TYR A 51 -1.082 9.643 1.050 1.00 0.00 C ATOM 703 OH TYR A 51 -1.801 10.523 1.832 1.00 0.00 O ATOM 0 H TYR A 51 2.031 4.921 -0.002 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.545 5.515 -1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.190 6.881 -1.172 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.112 7.287 -2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.326 6.544 -0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.907 9.380 -0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.615 8.128 1.063 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.623 10.946 0.871 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.435 11.426 1.729 1.00 0.00 H new ATOM 713 N VAL A 52 0.103 4.157 -3.364 1.00 0.00 N ATOM 714 CA VAL A 52 0.489 3.318 -4.548 1.00 0.00 C ATOM 715 C VAL A 52 0.674 4.235 -5.781 1.00 0.00 C ATOM 716 O VAL A 52 0.024 5.257 -5.878 1.00 0.00 O ATOM 717 CB VAL A 52 -0.691 2.363 -4.779 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.368 1.389 -5.930 1.00 0.00 C ATOM 719 CG2 VAL A 52 -0.953 1.570 -3.496 1.00 0.00 C ATOM 0 H VAL A 52 -0.900 4.297 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 52 1.420 2.774 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.576 2.942 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.212 0.716 -6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.182 1.954 -6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.518 0.807 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.790 0.890 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.064 0.997 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.192 2.258 -2.685 1.00 0.00 H new ATOM 729 N ASN A 53 1.515 3.898 -6.741 1.00 0.00 N ATOM 730 CA ASN A 53 1.644 4.798 -7.936 1.00 0.00 C ATOM 731 C ASN A 53 0.403 4.668 -8.821 1.00 0.00 C ATOM 732 O ASN A 53 -0.060 3.581 -9.105 1.00 0.00 O ATOM 733 CB ASN A 53 2.896 4.359 -8.716 1.00 0.00 C ATOM 734 CG ASN A 53 2.844 2.872 -9.078 1.00 0.00 C ATOM 735 OD1 ASN A 53 3.713 2.386 -9.773 1.00 0.00 O ATOM 736 ND2 ASN A 53 1.861 2.127 -8.679 1.00 0.00 N ATOM 0 H ASN A 53 2.101 3.063 -6.749 1.00 0.00 H new ATOM 0 HA ASN A 53 1.734 5.839 -7.625 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.985 4.952 -9.626 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.786 4.557 -8.118 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.824 1.144 -8.949 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.125 2.524 -8.095 1.00 0.00 H new ATOM 743 N GLU A 54 -0.143 5.772 -9.252 1.00 0.00 N ATOM 744 CA GLU A 54 -1.362 5.725 -10.113 1.00 0.00 C ATOM 745 C GLU A 54 -1.255 4.596 -11.143 1.00 0.00 C ATOM 746 O GLU A 54 -2.249 4.073 -11.607 1.00 0.00 O ATOM 747 CB GLU A 54 -1.402 7.084 -10.812 1.00 0.00 C ATOM 748 CG GLU A 54 -0.034 7.383 -11.427 1.00 0.00 C ATOM 749 CD GLU A 54 0.586 8.596 -10.730 1.00 0.00 C ATOM 750 OE1 GLU A 54 -0.166 9.447 -10.287 1.00 0.00 O ATOM 751 OE2 GLU A 54 1.802 8.651 -10.651 1.00 0.00 O ATOM 0 H GLU A 54 0.203 6.709 -9.045 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.264 5.532 -9.533 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.168 7.084 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.670 7.864 -10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.620 6.517 -11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.138 7.578 -12.494 1.00 0.00 H new ATOM 758 N ALA A 55 -0.061 4.224 -11.512 1.00 0.00 N ATOM 759 CA ALA A 55 0.102 3.137 -12.521 1.00 0.00 C ATOM 760 C ALA A 55 -0.502 1.823 -12.011 1.00 0.00 C ATOM 761 O ALA A 55 -0.748 0.910 -12.773 1.00 0.00 O ATOM 762 CB ALA A 55 1.614 2.994 -12.703 1.00 0.00 C ATOM 0 H ALA A 55 0.809 4.624 -11.160 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.408 3.370 -13.456 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.820 2.211 -13.433 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.029 3.938 -13.057 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.072 2.731 -11.749 1.00 0.00 H new ATOM 768 N PHE A 56 -0.737 1.713 -10.731 1.00 0.00 N ATOM 769 CA PHE A 56 -1.317 0.445 -10.194 1.00 0.00 C ATOM 770 C PHE A 56 -2.510 0.736 -9.281 1.00 0.00 C ATOM 771 O PHE A 56 -3.232 -0.160 -8.889 1.00 0.00 O ATOM 772 CB PHE A 56 -0.166 -0.209 -9.432 1.00 0.00 C ATOM 773 CG PHE A 56 0.881 -0.620 -10.452 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.699 0.370 -11.020 1.00 0.00 C ATOM 775 CD2 PHE A 56 1.026 -1.966 -10.871 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.643 0.032 -11.994 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.979 -2.290 -11.839 1.00 0.00 C ATOM 778 CZ PHE A 56 2.782 -1.295 -12.403 1.00 0.00 C ATOM 0 H PHE A 56 -0.555 2.439 -10.038 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.703 -0.206 -10.979 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.257 0.486 -8.707 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.519 -1.076 -8.874 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.598 1.397 -10.703 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.403 -2.737 -10.444 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.266 0.799 -12.431 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.096 -3.316 -12.154 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.511 -1.553 -13.157 1.00 0.00 H new ATOM 788 N THR A 57 -2.739 1.978 -8.950 1.00 0.00 N ATOM 789 CA THR A 57 -3.903 2.304 -8.078 1.00 0.00 C ATOM 790 C THR A 57 -5.182 2.341 -8.927 1.00 0.00 C ATOM 791 O THR A 57 -6.231 1.889 -8.511 1.00 0.00 O ATOM 792 CB THR A 57 -3.623 3.692 -7.479 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.120 4.691 -8.358 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.119 3.898 -7.272 1.00 0.00 C ATOM 0 H THR A 57 -2.175 2.776 -9.243 1.00 0.00 H new ATOM 0 HA THR A 57 -4.040 1.561 -7.293 1.00 0.00 H new ATOM 0 HB THR A 57 -4.121 3.764 -6.512 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.060 4.874 -8.148 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.942 4.886 -6.847 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.738 3.137 -6.591 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.605 3.818 -8.230 1.00 0.00 H new ATOM 802 N ASP A 58 -5.095 2.876 -10.121 1.00 0.00 N ATOM 803 CA ASP A 58 -6.295 2.944 -11.009 1.00 0.00 C ATOM 804 C ASP A 58 -6.601 1.547 -11.568 1.00 0.00 C ATOM 805 O ASP A 58 -7.654 1.300 -12.121 1.00 0.00 O ATOM 806 CB ASP A 58 -5.903 3.949 -12.113 1.00 0.00 C ATOM 807 CG ASP A 58 -6.011 3.318 -13.509 1.00 0.00 C ATOM 808 OD1 ASP A 58 -7.101 2.901 -13.866 1.00 0.00 O ATOM 809 OD2 ASP A 58 -5.002 3.264 -14.193 1.00 0.00 O ATOM 0 H ASP A 58 -4.242 3.269 -10.519 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.202 3.266 -10.496 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.550 4.824 -12.057 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.883 4.295 -11.946 1.00 0.00 H new ATOM 814 N LYS A 59 -5.687 0.636 -11.404 1.00 0.00 N ATOM 815 CA LYS A 59 -5.901 -0.758 -11.893 1.00 0.00 C ATOM 816 C LYS A 59 -6.771 -1.485 -10.908 1.00 0.00 C ATOM 817 O LYS A 59 -7.787 -2.077 -11.215 1.00 0.00 O ATOM 818 CB LYS A 59 -4.526 -1.414 -11.815 1.00 0.00 C ATOM 819 CG LYS A 59 -3.459 -0.463 -12.366 1.00 0.00 C ATOM 820 CD LYS A 59 -3.944 0.146 -13.684 1.00 0.00 C ATOM 821 CE LYS A 59 -4.183 -0.968 -14.705 1.00 0.00 C ATOM 822 NZ LYS A 59 -4.892 -0.307 -15.835 1.00 0.00 N ATOM 0 H LYS A 59 -4.789 0.796 -10.947 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.348 -0.777 -12.887 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.296 -1.672 -10.781 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.525 -2.344 -12.384 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.253 0.326 -11.643 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.525 -1.002 -12.525 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.864 0.707 -13.521 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.205 0.850 -14.065 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.243 -1.411 -15.034 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.783 -1.772 -14.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.091 -1.008 -16.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.786 0.100 -15.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.294 0.450 -16.225 1.00 0.00 H new ATOM 836 N VAL A 60 -6.303 -1.450 -9.718 1.00 0.00 N ATOM 837 CA VAL A 60 -6.952 -2.123 -8.597 1.00 0.00 C ATOM 838 C VAL A 60 -8.107 -1.262 -8.067 1.00 0.00 C ATOM 839 O VAL A 60 -7.968 -0.066 -7.906 1.00 0.00 O ATOM 840 CB VAL A 60 -5.767 -2.235 -7.642 1.00 0.00 C ATOM 841 CG1 VAL A 60 -5.778 -1.102 -6.628 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.778 -3.589 -6.966 1.00 0.00 C ATOM 0 H VAL A 60 -5.449 -0.954 -9.464 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.426 -3.083 -8.803 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.842 -2.146 -8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.924 -1.204 -5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.718 -0.147 -7.149 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.700 -1.142 -6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.930 -3.663 -6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.705 -3.708 -6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.707 -4.373 -7.720 1.00 0.00 H new ATOM 852 N PRO A 61 -9.219 -1.905 -7.843 1.00 0.00 N ATOM 853 CA PRO A 61 -10.431 -1.197 -7.360 1.00 0.00 C ATOM 854 C PRO A 61 -10.263 -0.671 -5.948 1.00 0.00 C ATOM 855 O PRO A 61 -9.424 -1.106 -5.185 1.00 0.00 O ATOM 856 CB PRO A 61 -11.522 -2.253 -7.420 1.00 0.00 C ATOM 857 CG PRO A 61 -10.797 -3.559 -7.353 1.00 0.00 C ATOM 858 CD PRO A 61 -9.455 -3.342 -8.008 1.00 0.00 C ATOM 0 HA PRO A 61 -10.654 -0.317 -7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.221 -2.146 -6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.102 -2.170 -8.339 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.676 -3.882 -6.319 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.357 -4.340 -7.867 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.675 -3.934 -7.529 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.471 -3.627 -9.060 1.00 0.00 H new ATOM 866 N ALA A 62 -11.079 0.276 -5.618 1.00 0.00 N ATOM 867 CA ALA A 62 -11.038 0.892 -4.282 1.00 0.00 C ATOM 868 C ALA A 62 -11.779 0.019 -3.276 1.00 0.00 C ATOM 869 O ALA A 62 -12.349 -1.001 -3.611 1.00 0.00 O ATOM 870 CB ALA A 62 -11.745 2.226 -4.481 1.00 0.00 C ATOM 0 H ALA A 62 -11.793 0.658 -6.239 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.027 1.011 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.769 2.769 -3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.208 2.815 -5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.764 2.050 -4.824 1.00 0.00 H new ATOM 876 N ALA A 63 -11.774 0.423 -2.048 1.00 0.00 N ATOM 877 CA ALA A 63 -12.474 -0.358 -0.991 1.00 0.00 C ATOM 878 C ALA A 63 -13.702 0.404 -0.490 1.00 0.00 C ATOM 879 O ALA A 63 -14.289 1.195 -1.201 1.00 0.00 O ATOM 880 CB ALA A 63 -11.450 -0.503 0.127 1.00 0.00 C ATOM 0 H ALA A 63 -11.311 1.271 -1.720 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.827 -1.322 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.887 -1.069 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.572 -1.029 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.157 0.485 0.482 1.00 0.00 H new ATOM 886 N ASN A 64 -14.091 0.175 0.736 1.00 0.00 N ATOM 887 CA ASN A 64 -15.274 0.889 1.287 1.00 0.00 C ATOM 888 C ASN A 64 -14.823 2.063 2.163 1.00 0.00 C ATOM 889 O ASN A 64 -13.888 2.763 1.840 1.00 0.00 O ATOM 890 CB ASN A 64 -16.012 -0.155 2.125 1.00 0.00 C ATOM 891 CG ASN A 64 -15.109 -0.609 3.276 1.00 0.00 C ATOM 892 OD1 ASN A 64 -13.922 -0.349 3.265 1.00 0.00 O ATOM 893 ND2 ASN A 64 -15.621 -1.281 4.272 1.00 0.00 N ATOM 0 H ASN A 64 -13.639 -0.476 1.378 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.908 1.304 0.504 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.938 0.265 2.518 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -16.287 -1.008 1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.025 -1.588 5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.617 -1.499 4.281 1.00 0.00 H new ATOM 900 N GLU A 65 -15.482 2.282 3.268 1.00 0.00 N ATOM 901 CA GLU A 65 -15.087 3.411 4.159 1.00 0.00 C ATOM 902 C GLU A 65 -13.883 3.010 5.014 1.00 0.00 C ATOM 903 O GLU A 65 -13.194 3.846 5.564 1.00 0.00 O ATOM 904 CB GLU A 65 -16.311 3.667 5.040 1.00 0.00 C ATOM 905 CG GLU A 65 -16.450 2.537 6.062 1.00 0.00 C ATOM 906 CD GLU A 65 -17.926 2.349 6.418 1.00 0.00 C ATOM 907 OE1 GLU A 65 -18.753 2.977 5.778 1.00 0.00 O ATOM 908 OE2 GLU A 65 -18.204 1.583 7.325 1.00 0.00 O ATOM 0 H GLU A 65 -16.276 1.729 3.592 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.797 4.300 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.210 4.624 5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.209 3.728 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.043 1.612 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.876 2.771 6.958 1.00 0.00 H new ATOM 915 N ARG A 66 -13.623 1.735 5.130 1.00 0.00 N ATOM 916 CA ARG A 66 -12.461 1.286 5.949 1.00 0.00 C ATOM 917 C ARG A 66 -11.152 1.657 5.251 1.00 0.00 C ATOM 918 O ARG A 66 -10.282 2.277 5.820 1.00 0.00 O ATOM 919 CB ARG A 66 -12.595 -0.236 6.039 1.00 0.00 C ATOM 920 CG ARG A 66 -13.300 -0.624 7.339 1.00 0.00 C ATOM 921 CD ARG A 66 -12.605 0.042 8.528 1.00 0.00 C ATOM 922 NE ARG A 66 -12.577 -1.005 9.586 1.00 0.00 N ATOM 923 CZ ARG A 66 -12.173 -0.706 10.790 1.00 0.00 C ATOM 924 NH1 ARG A 66 -12.894 0.079 11.544 1.00 0.00 N ATOM 925 NH2 ARG A 66 -11.048 -1.190 11.242 1.00 0.00 N ATOM 0 H ARG A 66 -14.163 0.988 4.694 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.450 1.754 6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.159 -0.611 5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.609 -0.699 5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.346 -0.319 7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.288 -1.707 7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.598 0.367 8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.149 0.926 8.860 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.874 -1.957 9.370 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.773 0.458 11.192 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.578 0.313 12.485 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.483 -1.803 10.654 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.734 -0.955 12.183 1.00 0.00 H new ATOM 939 N GLU A 67 -11.005 1.285 4.016 1.00 0.00 N ATOM 940 CA GLU A 67 -9.753 1.611 3.292 1.00 0.00 C ATOM 941 C GLU A 67 -9.534 3.120 3.274 1.00 0.00 C ATOM 942 O GLU A 67 -8.458 3.601 2.984 1.00 0.00 O ATOM 943 CB GLU A 67 -10.009 1.099 1.881 1.00 0.00 C ATOM 944 CG GLU A 67 -8.903 1.581 0.951 1.00 0.00 C ATOM 945 CD GLU A 67 -9.498 2.484 -0.130 1.00 0.00 C ATOM 946 OE1 GLU A 67 -10.394 2.032 -0.824 1.00 0.00 O ATOM 947 OE2 GLU A 67 -9.048 3.612 -0.247 1.00 0.00 O ATOM 0 H GLU A 67 -11.699 0.768 3.476 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.868 1.170 3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.049 0.010 1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.977 1.453 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.148 2.125 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.403 0.728 0.492 1.00 0.00 H new ATOM 954 N ILE A 68 -10.550 3.869 3.576 1.00 0.00 N ATOM 955 CA ILE A 68 -10.410 5.348 3.572 1.00 0.00 C ATOM 956 C ILE A 68 -10.003 5.861 4.963 1.00 0.00 C ATOM 957 O ILE A 68 -8.931 6.404 5.139 1.00 0.00 O ATOM 958 CB ILE A 68 -11.795 5.854 3.167 1.00 0.00 C ATOM 959 CG1 ILE A 68 -11.969 5.712 1.647 1.00 0.00 C ATOM 960 CG2 ILE A 68 -11.944 7.325 3.559 1.00 0.00 C ATOM 961 CD1 ILE A 68 -11.646 4.275 1.210 1.00 0.00 C ATOM 0 H ILE A 68 -11.476 3.521 3.827 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.633 5.698 2.893 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.556 5.265 3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.991 5.965 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.313 6.413 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.932 7.681 3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.824 7.428 4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.182 7.916 3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.773 4.186 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.616 4.037 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.320 3.582 1.713 1.00 0.00 H new ATOM 973 N GLY A 69 -10.850 5.707 5.950 1.00 0.00 N ATOM 974 CA GLY A 69 -10.500 6.208 7.317 1.00 0.00 C ATOM 975 C GLY A 69 -9.429 5.320 7.948 1.00 0.00 C ATOM 976 O GLY A 69 -8.438 5.802 8.449 1.00 0.00 O ATOM 0 H GLY A 69 -11.763 5.259 5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.140 7.235 7.254 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.390 6.220 7.946 1.00 0.00 H new ATOM 980 N MET A 70 -9.598 4.031 7.909 1.00 0.00 N ATOM 981 CA MET A 70 -8.551 3.138 8.488 1.00 0.00 C ATOM 982 C MET A 70 -7.216 3.587 7.951 1.00 0.00 C ATOM 983 O MET A 70 -6.268 3.847 8.661 1.00 0.00 O ATOM 984 CB MET A 70 -8.849 1.786 7.873 1.00 0.00 C ATOM 985 CG MET A 70 -8.416 0.651 8.769 1.00 0.00 C ATOM 986 SD MET A 70 -9.355 -0.784 8.251 1.00 0.00 S ATOM 987 CE MET A 70 -8.468 -0.986 6.694 1.00 0.00 C ATOM 0 H MET A 70 -10.406 3.557 7.506 1.00 0.00 H new ATOM 0 HA MET A 70 -8.539 3.135 9.578 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.918 1.705 7.676 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.340 1.704 6.912 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.345 0.469 8.676 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.610 0.886 9.816 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.027 -1.657 6.041 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.358 -0.016 6.209 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.482 -1.408 6.889 1.00 0.00 H new ATOM 997 N LEU A 71 -7.182 3.680 6.669 1.00 0.00 N ATOM 998 CA LEU A 71 -5.974 4.110 5.953 1.00 0.00 C ATOM 999 C LEU A 71 -5.641 5.537 6.384 1.00 0.00 C ATOM 1000 O LEU A 71 -4.546 5.811 6.826 1.00 0.00 O ATOM 1001 CB LEU A 71 -6.443 3.982 4.499 1.00 0.00 C ATOM 1002 CG LEU A 71 -5.314 4.219 3.473 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -5.882 4.936 2.257 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -4.216 5.112 4.025 1.00 0.00 C ATOM 0 H LEU A 71 -7.975 3.467 6.063 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.057 3.548 6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.862 2.988 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.245 4.697 4.318 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.902 3.241 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.087 5.105 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.663 4.324 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.303 5.893 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.444 5.250 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.636 6.081 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.778 4.647 4.908 1.00 0.00 H new ATOM 1016 N GLU A 72 -6.584 6.438 6.303 1.00 0.00 N ATOM 1017 CA GLU A 72 -6.312 7.838 6.743 1.00 0.00 C ATOM 1018 C GLU A 72 -6.460 7.962 8.270 1.00 0.00 C ATOM 1019 O GLU A 72 -6.631 9.040 8.802 1.00 0.00 O ATOM 1020 CB GLU A 72 -7.359 8.697 6.023 1.00 0.00 C ATOM 1021 CG GLU A 72 -7.481 10.058 6.718 1.00 0.00 C ATOM 1022 CD GLU A 72 -7.961 11.111 5.718 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -9.117 11.049 5.332 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -7.166 11.961 5.355 1.00 0.00 O ATOM 0 H GLU A 72 -7.527 6.267 5.953 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.296 8.152 6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.074 8.835 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.324 8.189 6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.180 9.989 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.517 10.351 7.134 1.00 0.00 H new ATOM 1031 N CYS A 73 -6.378 6.878 8.995 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.507 6.996 10.474 1.00 0.00 C ATOM 1033 C CYS A 73 -5.577 8.107 10.942 1.00 0.00 C ATOM 1034 O CYS A 73 -5.795 8.745 11.954 1.00 0.00 O ATOM 1035 CB CYS A 73 -6.070 5.644 11.033 1.00 0.00 C ATOM 1036 SG CYS A 73 -7.528 4.600 11.281 1.00 0.00 S ATOM 0 H CYS A 73 -6.230 5.935 8.636 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.518 7.238 10.802 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.375 5.161 10.346 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.542 5.781 11.977 1.00 0.00 H new ATOM 0 HG CYS A 73 -7.619 4.272 12.536 1.00 0.00 H new ATOM 1042 N VAL A 74 -4.551 8.354 10.180 1.00 0.00 N ATOM 1043 CA VAL A 74 -3.595 9.439 10.519 1.00 0.00 C ATOM 1044 C VAL A 74 -4.101 10.740 9.849 1.00 0.00 C ATOM 1045 O VAL A 74 -5.292 10.920 9.686 1.00 0.00 O ATOM 1046 CB VAL A 74 -2.232 8.950 9.968 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -2.159 7.418 10.026 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -2.059 9.394 8.512 1.00 0.00 C ATOM 0 H VAL A 74 -4.332 7.842 9.325 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.500 9.655 11.583 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.441 9.382 10.581 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.197 7.085 9.636 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.266 7.087 11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.962 6.992 9.424 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.097 9.044 8.137 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.860 8.972 7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.096 10.482 8.457 1.00 0.00 H new ATOM 1058 N THR A 75 -3.240 11.643 9.457 1.00 0.00 N ATOM 1059 CA THR A 75 -3.721 12.897 8.809 1.00 0.00 C ATOM 1060 C THR A 75 -2.943 13.152 7.516 1.00 0.00 C ATOM 1061 O THR A 75 -2.345 14.195 7.338 1.00 0.00 O ATOM 1062 CB THR A 75 -3.441 14.003 9.828 1.00 0.00 C ATOM 1063 OG1 THR A 75 -4.124 15.187 9.440 1.00 0.00 O ATOM 1064 CG2 THR A 75 -1.937 14.273 9.889 1.00 0.00 C ATOM 0 H THR A 75 -2.228 11.566 9.558 1.00 0.00 H new ATOM 0 HA THR A 75 -4.777 12.846 8.543 1.00 0.00 H new ATOM 0 HB THR A 75 -3.791 13.689 10.812 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.820 15.464 8.550 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.738 15.061 10.615 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.416 13.364 10.188 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.584 14.587 8.907 1.00 0.00 H new ATOM 1072 N ALA A 76 -2.935 12.208 6.616 1.00 0.00 N ATOM 1073 CA ALA A 76 -2.180 12.404 5.346 1.00 0.00 C ATOM 1074 C ALA A 76 -3.119 12.842 4.219 1.00 0.00 C ATOM 1075 O ALA A 76 -2.906 12.513 3.070 1.00 0.00 O ATOM 1076 CB ALA A 76 -1.573 11.036 5.032 1.00 0.00 C ATOM 0 H ALA A 76 -3.416 11.313 6.704 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.421 13.181 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.999 11.096 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.916 10.733 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.370 10.302 4.917 1.00 0.00 H new ATOM 1082 N GLU A 77 -4.153 13.577 4.542 1.00 0.00 N ATOM 1083 CA GLU A 77 -5.108 14.040 3.489 1.00 0.00 C ATOM 1084 C GLU A 77 -5.334 12.932 2.468 1.00 0.00 C ATOM 1085 O GLU A 77 -5.050 13.086 1.297 1.00 0.00 O ATOM 1086 CB GLU A 77 -4.466 15.274 2.847 1.00 0.00 C ATOM 1087 CG GLU A 77 -3.106 14.910 2.245 1.00 0.00 C ATOM 1088 CD GLU A 77 -2.610 16.063 1.372 1.00 0.00 C ATOM 1089 OE1 GLU A 77 -2.246 17.086 1.928 1.00 0.00 O ATOM 1090 OE2 GLU A 77 -2.601 15.904 0.162 1.00 0.00 O ATOM 0 H GLU A 77 -4.378 13.877 5.491 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.085 14.289 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.121 15.671 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.343 16.059 3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.388 14.706 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.191 14.000 1.651 1.00 0.00 H new ATOM 1097 N LEU A 78 -5.839 11.821 2.931 1.00 0.00 N ATOM 1098 CA LEU A 78 -6.112 10.646 2.051 1.00 0.00 C ATOM 1099 C LEU A 78 -6.205 11.029 0.574 1.00 0.00 C ATOM 1100 O LEU A 78 -6.885 11.963 0.201 1.00 0.00 O ATOM 1101 CB LEU A 78 -7.455 10.137 2.531 1.00 0.00 C ATOM 1102 CG LEU A 78 -7.569 8.654 2.200 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -6.480 7.879 2.944 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.937 8.149 2.632 1.00 0.00 C ATOM 0 H LEU A 78 -6.081 11.674 3.911 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.310 9.911 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.555 10.292 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.261 10.693 2.053 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.446 8.508 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.562 6.818 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.500 8.245 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.601 8.021 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.024 7.088 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.056 8.294 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.713 8.702 2.103 1.00 0.00 H new ATOM 1116 N LYS A 79 -5.535 10.296 -0.268 1.00 0.00 N ATOM 1117 CA LYS A 79 -5.589 10.592 -1.726 1.00 0.00 C ATOM 1118 C LYS A 79 -6.621 9.666 -2.377 1.00 0.00 C ATOM 1119 O LYS A 79 -7.381 9.015 -1.687 1.00 0.00 O ATOM 1120 CB LYS A 79 -4.185 10.290 -2.264 1.00 0.00 C ATOM 1121 CG LYS A 79 -3.125 10.634 -1.219 1.00 0.00 C ATOM 1122 CD LYS A 79 -1.749 10.564 -1.874 1.00 0.00 C ATOM 1123 CE LYS A 79 -1.195 11.977 -2.001 1.00 0.00 C ATOM 1124 NZ LYS A 79 -0.247 11.920 -3.149 1.00 0.00 N ATOM 0 H LYS A 79 -4.950 9.502 -0.009 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.875 11.623 -1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.111 9.236 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.007 10.864 -3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.301 11.632 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.180 9.938 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.077 9.947 -1.277 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.822 10.097 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.992 12.698 -2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.689 12.286 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.175 12.859 -3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.505 11.231 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.758 11.631 -4.007 1.00 0.00 H new ATOM 1138 N PRO A 80 -6.613 9.619 -3.680 1.00 0.00 N ATOM 1139 CA PRO A 80 -7.556 8.746 -4.401 1.00 0.00 C ATOM 1140 C PRO A 80 -7.008 7.320 -4.448 1.00 0.00 C ATOM 1141 O PRO A 80 -7.746 6.358 -4.518 1.00 0.00 O ATOM 1142 CB PRO A 80 -7.608 9.351 -5.797 1.00 0.00 C ATOM 1143 CG PRO A 80 -6.314 10.090 -5.968 1.00 0.00 C ATOM 1144 CD PRO A 80 -5.742 10.361 -4.597 1.00 0.00 C ATOM 0 HA PRO A 80 -8.539 8.688 -3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.719 8.576 -6.556 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.460 10.023 -5.901 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.615 9.501 -6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.478 11.025 -6.503 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.709 10.022 -4.524 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.744 11.427 -4.370 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.713 7.184 -4.418 1.00 0.00 N ATOM 1153 CA ASN A 81 -5.103 5.826 -4.472 1.00 0.00 C ATOM 1154 C ASN A 81 -4.555 5.400 -3.102 1.00 0.00 C ATOM 1155 O ASN A 81 -4.132 4.276 -2.929 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.962 5.938 -5.483 1.00 0.00 C ATOM 1157 CG ASN A 81 -3.101 7.161 -5.161 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -3.609 8.251 -4.988 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.806 7.023 -5.073 1.00 0.00 N ATOM 0 H ASN A 81 -5.049 7.956 -4.358 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.840 5.075 -4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.352 5.035 -5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.365 6.021 -6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.220 7.830 -4.859 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.380 6.108 -5.218 1.00 0.00 H new ATOM 1166 N SER A 82 -4.543 6.273 -2.128 1.00 0.00 N ATOM 1167 CA SER A 82 -4.004 5.864 -0.794 1.00 0.00 C ATOM 1168 C SER A 82 -4.632 4.546 -0.350 1.00 0.00 C ATOM 1169 O SER A 82 -5.797 4.296 -0.584 1.00 0.00 O ATOM 1170 CB SER A 82 -4.409 6.969 0.177 1.00 0.00 C ATOM 1171 OG SER A 82 -4.296 8.226 -0.468 1.00 0.00 O ATOM 0 H SER A 82 -4.876 7.235 -2.194 1.00 0.00 H new ATOM 0 HA SER A 82 -2.924 5.724 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.433 6.813 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.772 6.943 1.061 1.00 0.00 H new ATOM 0 HG SER A 82 -3.352 8.417 -0.650 1.00 0.00 H new ATOM 1177 N ARG A 83 -3.871 3.711 0.301 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.422 2.409 0.773 1.00 0.00 C ATOM 1179 C ARG A 83 -3.566 1.857 1.914 1.00 0.00 C ATOM 1180 O ARG A 83 -2.381 2.097 1.980 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.331 1.468 -0.434 1.00 0.00 C ATOM 1182 CG ARG A 83 -5.381 1.833 -1.483 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.772 1.794 -0.852 1.00 0.00 C ATOM 1184 NE ARG A 83 -7.562 0.891 -1.733 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.951 1.303 -2.908 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -8.404 2.519 -3.056 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -7.888 0.501 -3.935 1.00 0.00 N ATOM 0 H ARG A 83 -2.890 3.874 0.527 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.442 2.513 1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.335 1.527 -0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.476 0.437 -0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.180 2.827 -1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.331 1.137 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.733 1.416 0.170 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.214 2.789 -0.807 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.799 -0.050 -1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.453 3.146 -2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.708 2.842 -3.975 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.534 -0.449 -3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.192 0.824 -4.854 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.149 1.090 2.793 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.344 0.494 3.897 1.00 0.00 C ATOM 1203 C LEU A 84 -2.511 -0.628 3.296 1.00 0.00 C ATOM 1204 O LEU A 84 -2.938 -1.268 2.356 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.362 -0.107 4.869 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.807 0.913 5.903 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -6.047 0.344 6.584 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -3.693 1.127 6.931 1.00 0.00 C ATOM 0 H LEU A 84 -5.141 0.851 2.796 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.694 1.216 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.228 -0.468 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.923 -0.969 5.371 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.027 1.874 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.403 1.046 7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.828 0.182 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.798 -0.604 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.016 1.859 7.671 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.470 0.183 7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.798 1.491 6.427 1.00 0.00 H new ATOM 1220 N SER A 85 -1.340 -0.896 3.805 1.00 0.00 N ATOM 1221 CA SER A 85 -0.558 -2.006 3.202 1.00 0.00 C ATOM 1222 C SER A 85 -1.477 -3.221 3.030 1.00 0.00 C ATOM 1223 O SER A 85 -1.257 -4.079 2.198 1.00 0.00 O ATOM 1224 CB SER A 85 0.578 -2.332 4.157 1.00 0.00 C ATOM 1225 OG SER A 85 1.302 -1.144 4.455 1.00 0.00 O ATOM 0 H SER A 85 -0.903 -0.410 4.588 1.00 0.00 H new ATOM 0 HA SER A 85 -0.158 -1.731 2.226 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.183 -2.769 5.074 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.241 -3.073 3.711 1.00 0.00 H new ATOM 0 HG SER A 85 2.184 -1.183 4.029 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.506 -3.292 3.839 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.461 -4.441 3.778 1.00 0.00 C ATOM 1233 C CYS A 86 -4.808 -3.968 3.227 1.00 0.00 C ATOM 1234 O CYS A 86 -5.851 -4.246 3.784 1.00 0.00 O ATOM 1235 CB CYS A 86 -3.596 -4.925 5.224 1.00 0.00 C ATOM 1236 SG CYS A 86 -1.987 -4.738 6.034 1.00 0.00 S ATOM 0 H CYS A 86 -2.727 -2.593 4.548 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.115 -5.240 3.122 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.356 -4.347 5.749 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.915 -5.967 5.248 1.00 0.00 H new ATOM 1241 N GLN A 87 -4.787 -3.243 2.141 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.063 -2.735 1.559 1.00 0.00 C ATOM 1243 C GLN A 87 -6.196 -3.149 0.097 1.00 0.00 C ATOM 1244 O GLN A 87 -7.264 -3.492 -0.369 1.00 0.00 O ATOM 1245 CB GLN A 87 -5.972 -1.214 1.679 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.335 -0.647 2.078 1.00 0.00 C ATOM 1247 CD GLN A 87 -7.772 -1.229 3.426 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -8.906 -1.061 3.830 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -6.921 -1.911 4.147 1.00 0.00 N ATOM 0 H GLN A 87 -3.943 -2.981 1.632 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.934 -3.138 2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.222 -0.942 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.651 -0.783 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.281 0.440 2.142 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.075 -0.885 1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.968 -2.054 3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.210 -2.300 5.045 1.00 0.00 H new ATOM 1258 N ILE A 88 -5.121 -3.120 -0.628 1.00 0.00 N ATOM 1259 CA ILE A 88 -5.189 -3.515 -2.067 1.00 0.00 C ATOM 1260 C ILE A 88 -4.655 -4.934 -2.253 1.00 0.00 C ATOM 1261 O ILE A 88 -3.863 -5.420 -1.470 1.00 0.00 O ATOM 1262 CB ILE A 88 -4.306 -2.533 -2.854 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -4.118 -1.211 -2.098 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.968 -2.244 -4.198 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -3.308 -0.242 -2.971 1.00 0.00 C ATOM 0 H ILE A 88 -4.198 -2.842 -0.294 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.221 -3.488 -2.418 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.326 -2.989 -2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.087 -0.776 -1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.602 -1.388 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.350 -1.548 -4.766 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.076 -3.173 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.951 -1.804 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.171 0.699 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.334 -0.679 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.843 -0.058 -3.903 1.00 0.00 H new ATOM 1277 N ILE A 89 -5.071 -5.592 -3.297 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.582 -6.970 -3.556 1.00 0.00 C ATOM 1279 C ILE A 89 -3.669 -6.962 -4.783 1.00 0.00 C ATOM 1280 O ILE A 89 -3.659 -6.021 -5.553 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.843 -7.794 -3.818 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.550 -8.099 -2.493 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.460 -9.103 -4.505 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.532 -8.585 -1.460 1.00 0.00 C ATOM 0 H ILE A 89 -5.732 -5.231 -3.985 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.004 -7.379 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.516 -7.227 -4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.055 -7.206 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.317 -8.858 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.358 -9.692 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.964 -8.886 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.784 -9.667 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.041 -8.800 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.047 -9.490 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.781 -7.812 -1.297 1.00 0.00 H new ATOM 1296 N MET A 90 -2.897 -7.992 -4.968 1.00 0.00 N ATOM 1297 CA MET A 90 -1.981 -8.029 -6.142 1.00 0.00 C ATOM 1298 C MET A 90 -2.452 -9.074 -7.154 1.00 0.00 C ATOM 1299 O MET A 90 -2.316 -10.263 -6.944 1.00 0.00 O ATOM 1300 CB MET A 90 -0.624 -8.416 -5.561 1.00 0.00 C ATOM 1301 CG MET A 90 0.490 -7.652 -6.279 1.00 0.00 C ATOM 1302 SD MET A 90 0.210 -5.870 -6.132 1.00 0.00 S ATOM 1303 CE MET A 90 0.165 -5.510 -7.906 1.00 0.00 C ATOM 0 H MET A 90 -2.859 -8.810 -4.359 1.00 0.00 H new ATOM 0 HA MET A 90 -1.946 -7.077 -6.671 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.599 -8.194 -4.494 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.467 -9.489 -5.667 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.457 -7.913 -5.850 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.520 -7.939 -7.330 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.141 -4.475 -8.060 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.156 -5.663 -8.334 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.547 -6.175 -8.394 1.00 0.00 H new ATOM 1313 N THR A 91 -2.998 -8.639 -8.256 1.00 0.00 N ATOM 1314 CA THR A 91 -3.469 -9.609 -9.285 1.00 0.00 C ATOM 1315 C THR A 91 -2.333 -9.923 -10.264 1.00 0.00 C ATOM 1316 O THR A 91 -1.351 -9.211 -10.323 1.00 0.00 O ATOM 1317 CB THR A 91 -4.620 -8.903 -10.002 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.345 -7.511 -10.075 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.921 -9.129 -9.230 1.00 0.00 C ATOM 0 H THR A 91 -3.138 -7.656 -8.488 1.00 0.00 H new ATOM 0 HA THR A 91 -3.787 -10.556 -8.849 1.00 0.00 H new ATOM 0 HB THR A 91 -4.725 -9.307 -11.009 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.751 -7.057 -9.307 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.740 -8.625 -9.742 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.130 -10.197 -9.174 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.821 -8.726 -8.222 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.507 -10.987 -10.999 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.482 -11.406 -11.983 1.00 0.00 C ATOM 1329 C PRO A 92 -1.505 -10.486 -13.208 1.00 0.00 C ATOM 1330 O PRO A 92 -0.658 -10.571 -14.075 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.896 -12.827 -12.349 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.364 -12.896 -12.064 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.663 -11.887 -10.983 1.00 0.00 C ATOM 0 HA PRO A 92 -0.465 -11.355 -11.593 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.688 -13.039 -13.398 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.346 -13.561 -11.760 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.940 -12.677 -12.963 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.645 -13.898 -11.742 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.589 -11.349 -11.186 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.780 -12.367 -10.012 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.462 -9.602 -13.280 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.530 -8.671 -14.444 1.00 0.00 C ATOM 1343 C GLU A 93 -2.030 -7.285 -14.029 1.00 0.00 C ATOM 1344 O GLU A 93 -1.517 -6.530 -14.831 1.00 0.00 O ATOM 1345 CB GLU A 93 -4.009 -8.623 -14.835 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.831 -8.038 -13.684 1.00 0.00 C ATOM 1347 CD GLU A 93 -6.112 -8.854 -13.506 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -6.120 -10.004 -13.914 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -7.063 -8.315 -12.964 1.00 0.00 O ATOM 0 H GLU A 93 -3.199 -9.483 -12.585 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.908 -8.998 -15.277 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.138 -8.016 -15.731 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.364 -9.625 -15.075 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.248 -8.051 -12.763 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.076 -6.996 -13.891 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.167 -6.950 -12.774 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.695 -5.620 -12.289 1.00 0.00 C ATOM 1358 C LEU A 94 -0.349 -5.783 -11.612 1.00 0.00 C ATOM 1359 O LEU A 94 -0.173 -5.478 -10.451 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.744 -5.173 -11.292 1.00 0.00 C ATOM 1361 CG LEU A 94 -4.128 -5.381 -11.900 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -5.151 -4.599 -11.086 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -4.127 -4.886 -13.353 1.00 0.00 C ATOM 0 H LEU A 94 -2.588 -7.544 -12.060 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.571 -4.895 -13.093 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.650 -5.741 -10.367 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.598 -4.123 -11.038 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.385 -6.440 -11.885 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.143 -4.742 -11.514 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.145 -4.955 -10.056 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.897 -3.539 -11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.115 -5.034 -13.789 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.875 -3.826 -13.376 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.390 -5.446 -13.928 1.00 0.00 H new ATOM 1375 N ASP A 95 0.583 -6.306 -12.331 1.00 0.00 N ATOM 1376 CA ASP A 95 1.922 -6.552 -11.747 1.00 0.00 C ATOM 1377 C ASP A 95 2.930 -5.475 -12.139 1.00 0.00 C ATOM 1378 O ASP A 95 2.851 -4.882 -13.197 1.00 0.00 O ATOM 1379 CB ASP A 95 2.333 -7.907 -12.313 1.00 0.00 C ATOM 1380 CG ASP A 95 2.166 -7.906 -13.835 1.00 0.00 C ATOM 1381 OD1 ASP A 95 1.044 -8.061 -14.288 1.00 0.00 O ATOM 1382 OD2 ASP A 95 3.164 -7.752 -14.519 1.00 0.00 O ATOM 0 H ASP A 95 0.480 -6.578 -13.308 1.00 0.00 H new ATOM 0 HA ASP A 95 1.894 -6.534 -10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.369 -8.121 -12.052 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.724 -8.696 -11.872 1.00 0.00 H new ATOM 1387 N GLY A 96 3.881 -5.225 -11.277 1.00 0.00 N ATOM 1388 CA GLY A 96 4.901 -4.183 -11.566 1.00 0.00 C ATOM 1389 C GLY A 96 4.515 -2.932 -10.800 1.00 0.00 C ATOM 1390 O GLY A 96 4.880 -1.829 -11.158 1.00 0.00 O ATOM 0 H GLY A 96 3.992 -5.702 -10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.892 -4.524 -11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.945 -3.978 -12.636 1.00 0.00 H new ATOM 1394 N ILE A 97 3.744 -3.094 -9.767 1.00 0.00 N ATOM 1395 CA ILE A 97 3.272 -1.915 -9.008 1.00 0.00 C ATOM 1396 C ILE A 97 4.354 -1.269 -8.171 1.00 0.00 C ATOM 1397 O ILE A 97 5.308 -1.886 -7.740 1.00 0.00 O ATOM 1398 CB ILE A 97 2.150 -2.413 -8.101 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.673 -1.249 -7.231 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.668 -3.533 -7.195 1.00 0.00 C ATOM 1401 CD1 ILE A 97 0.252 -1.517 -6.745 1.00 0.00 C ATOM 0 H ILE A 97 3.421 -3.996 -9.416 1.00 0.00 H new ATOM 0 HA ILE A 97 2.942 -1.147 -9.708 1.00 0.00 H new ATOM 0 HB ILE A 97 1.331 -2.796 -8.710 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.341 -1.122 -6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.703 -0.320 -7.801 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.861 -3.883 -6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.027 -4.360 -7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.485 -3.155 -6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.084 -0.685 -6.126 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.412 -1.622 -7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.235 -2.436 -6.159 1.00 0.00 H new ATOM 1413 N VAL A 98 4.164 -0.011 -7.923 1.00 0.00 N ATOM 1414 CA VAL A 98 5.115 0.754 -7.089 1.00 0.00 C ATOM 1415 C VAL A 98 4.351 1.348 -5.914 1.00 0.00 C ATOM 1416 O VAL A 98 3.344 2.007 -6.087 1.00 0.00 O ATOM 1417 CB VAL A 98 5.632 1.868 -7.993 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.871 2.505 -7.361 1.00 0.00 C ATOM 1419 CG2 VAL A 98 5.998 1.289 -9.362 1.00 0.00 C ATOM 0 H VAL A 98 3.372 0.530 -8.271 1.00 0.00 H new ATOM 0 HA VAL A 98 5.930 0.144 -6.700 1.00 0.00 H new ATOM 0 HB VAL A 98 4.857 2.624 -8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.241 3.301 -8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.610 2.920 -6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.646 1.749 -7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.367 2.086 -10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.772 0.532 -9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.115 0.837 -9.814 1.00 0.00 H new ATOM 1429 N VAL A 99 4.810 1.132 -4.724 1.00 0.00 N ATOM 1430 CA VAL A 99 4.094 1.700 -3.553 1.00 0.00 C ATOM 1431 C VAL A 99 4.855 2.883 -3.059 1.00 0.00 C ATOM 1432 O VAL A 99 5.904 3.223 -3.560 1.00 0.00 O ATOM 1433 CB VAL A 99 4.132 0.653 -2.447 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.950 0.836 -1.501 1.00 0.00 C ATOM 1435 CG2 VAL A 99 4.087 -0.718 -3.046 1.00 0.00 C ATOM 0 H VAL A 99 5.646 0.590 -4.507 1.00 0.00 H new ATOM 0 HA VAL A 99 3.075 1.977 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 99 5.057 0.774 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.991 0.080 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.994 1.828 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.019 0.730 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.114 -1.463 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.168 -0.834 -3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.946 -0.856 -3.703 1.00 0.00 H new ATOM 1445 N ASP A 100 4.366 3.477 -2.044 1.00 0.00 N ATOM 1446 CA ASP A 100 5.102 4.610 -1.478 1.00 0.00 C ATOM 1447 C ASP A 100 4.649 4.889 -0.062 1.00 0.00 C ATOM 1448 O ASP A 100 3.473 4.885 0.246 1.00 0.00 O ATOM 1449 CB ASP A 100 4.818 5.815 -2.369 1.00 0.00 C ATOM 1450 CG ASP A 100 5.703 5.762 -3.617 1.00 0.00 C ATOM 1451 OD1 ASP A 100 6.840 6.197 -3.531 1.00 0.00 O ATOM 1452 OD2 ASP A 100 5.229 5.287 -4.635 1.00 0.00 O ATOM 0 H ASP A 100 3.492 3.234 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 100 6.170 4.393 -1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.767 5.824 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.005 6.737 -1.819 1.00 0.00 H new ATOM 1457 N VAL A 101 5.572 5.170 0.788 1.00 0.00 N ATOM 1458 CA VAL A 101 5.194 5.498 2.188 1.00 0.00 C ATOM 1459 C VAL A 101 5.155 7.020 2.323 1.00 0.00 C ATOM 1460 O VAL A 101 6.153 7.686 2.128 1.00 0.00 O ATOM 1461 CB VAL A 101 6.275 4.885 3.079 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.825 4.952 4.539 1.00 0.00 C ATOM 1463 CG2 VAL A 101 6.492 3.417 2.689 1.00 0.00 C ATOM 0 H VAL A 101 6.572 5.190 0.586 1.00 0.00 H new ATOM 0 HA VAL A 101 4.217 5.107 2.471 1.00 0.00 H new ATOM 0 HB VAL A 101 7.205 5.439 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.594 4.516 5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.665 5.992 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.895 4.396 4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.263 2.982 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.561 2.865 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.807 3.360 1.647 1.00 0.00 H new ATOM 1473 N PRO A 102 3.993 7.523 2.628 1.00 0.00 N ATOM 1474 CA PRO A 102 3.809 8.989 2.759 1.00 0.00 C ATOM 1475 C PRO A 102 4.621 9.531 3.939 1.00 0.00 C ATOM 1476 O PRO A 102 5.476 8.856 4.478 1.00 0.00 O ATOM 1477 CB PRO A 102 2.312 9.139 3.007 1.00 0.00 C ATOM 1478 CG PRO A 102 1.884 7.820 3.554 1.00 0.00 C ATOM 1479 CD PRO A 102 2.756 6.790 2.896 1.00 0.00 C ATOM 0 HA PRO A 102 4.148 9.544 1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.106 9.945 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.780 9.377 2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.999 7.792 4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.832 7.633 3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.929 5.933 3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.307 6.408 1.979 1.00 0.00 H new