USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 975 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 58 HIS : no HE2:sc= -0.76 K(o=-1,f=-2.3) USER MOD Set 1.2: A 60 CYS SG : rot 180:sc= -0.274 USER MOD Set 2.1: A 32 SER OG : rot 106:sc= -2.41! USER MOD Set 2.2: A 34 LYS NZ :NH3+ 163:sc= 0.668 (180deg=-0.0271) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -177:sc= -1.73 (180deg=-1.79) USER MOD Single : A 36 THR OG1 : rot 56:sc= 0.0941! USER MOD Single : A 37 THR OG1 : rot 85:sc= 0.919 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= -0.0243 (180deg=-0.308) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -4.89! C(o=-4.9!,f=-3.5!) USER MOD Single : A 51 GLN : amide:sc= -0.955 X(o=-0.96,f=-0.74) USER MOD Single : A 52 THR OG1 : rot -140:sc= -0.324 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0482 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.457 K(o=0.46,f=-6.5!) USER MOD Single : A 80 CYS SG : rot 66:sc= -1! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -5.63! C(o=-5.6!,f=-9!) USER MOD Single : A 88 CYS SG : rot 108:sc= 0.649 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -123:sc= -0.117 (180deg=-0.664) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 161:sc= 0.162! (180deg=-0.644) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -4.55! C(o=-4.6!,f=-5!) USER MOD Single : A 113 LYS NZ :NH3+ 148:sc= -0.149 (180deg=-0.94) USER MOD Single : A 114 THR OG1 : rot 170:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.024 K(o=-0.024,f=-1.4!) USER MOD Single : A 120 HIS : no HD1:sc= -4.26! C(o=-4.3!,f=-7.3!) USER MOD Single : A 121 CYS SG : rot -33:sc= -2.11 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.471 K(o=-0.47,f=-2.9!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.15) USER MOD Single : B 950 TYR OH : rot 30:sc= -0.705! USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 21 97.780 -9.723 18.060 1.00 0.00 N ATOM 18 CA LYS A 21 97.356 -8.446 17.497 1.00 0.00 C ATOM 19 C LYS A 21 96.712 -8.648 16.129 1.00 0.00 C ATOM 20 O LYS A 21 95.717 -8.003 15.800 1.00 0.00 O ATOM 21 CB LYS A 21 98.556 -7.507 17.366 1.00 0.00 C ATOM 22 CG LYS A 21 99.014 -7.073 18.760 1.00 0.00 C ATOM 23 CD LYS A 21 100.214 -6.133 18.633 1.00 0.00 C ATOM 24 CE LYS A 21 100.663 -5.692 20.026 1.00 0.00 C ATOM 25 NZ LYS A 21 101.837 -4.784 19.901 1.00 0.00 N ATOM 0 HA LYS A 21 96.621 -8.003 18.168 1.00 0.00 H new ATOM 0 HB2 LYS A 21 99.370 -8.009 16.843 1.00 0.00 H new ATOM 0 HB3 LYS A 21 98.286 -6.634 16.771 1.00 0.00 H new ATOM 0 HG2 LYS A 21 98.199 -6.571 19.282 1.00 0.00 H new ATOM 0 HG3 LYS A 21 99.284 -7.946 19.354 1.00 0.00 H new ATOM 0 HD2 LYS A 21 101.032 -6.637 18.118 1.00 0.00 H new ATOM 0 HD3 LYS A 21 99.947 -5.263 18.033 1.00 0.00 H new ATOM 0 HE2 LYS A 21 99.848 -5.182 20.539 1.00 0.00 H new ATOM 0 HE3 LYS A 21 100.924 -6.562 20.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 102.145 -4.482 20.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 102.615 -5.286 19.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 101.572 -3.949 19.341 1.00 0.00 H new ATOM 39 N TYR A 22 97.280 -9.546 15.336 1.00 0.00 N ATOM 40 CA TYR A 22 96.740 -9.818 14.009 1.00 0.00 C ATOM 41 C TYR A 22 95.658 -10.882 14.108 1.00 0.00 C ATOM 42 O TYR A 22 95.946 -12.079 14.102 1.00 0.00 O ATOM 43 CB TYR A 22 97.847 -10.305 13.073 1.00 0.00 C ATOM 44 CG TYR A 22 98.598 -9.134 12.461 1.00 0.00 C ATOM 45 CD1 TYR A 22 98.728 -7.914 13.150 1.00 0.00 C ATOM 46 CD2 TYR A 22 99.179 -9.279 11.193 1.00 0.00 C ATOM 47 CE1 TYR A 22 99.435 -6.854 12.570 1.00 0.00 C ATOM 48 CE2 TYR A 22 99.883 -8.215 10.616 1.00 0.00 C ATOM 49 CZ TYR A 22 100.011 -7.003 11.305 1.00 0.00 C ATOM 50 OH TYR A 22 100.706 -5.954 10.736 1.00 0.00 O ATOM 0 H TYR A 22 98.105 -10.093 15.583 1.00 0.00 H new ATOM 0 HA TYR A 22 96.316 -8.898 13.607 1.00 0.00 H new ATOM 0 HB2 TYR A 22 98.542 -10.939 13.624 1.00 0.00 H new ATOM 0 HB3 TYR A 22 97.415 -10.918 12.282 1.00 0.00 H new ATOM 0 HD1 TYR A 22 98.282 -7.795 14.127 1.00 0.00 H new ATOM 0 HD2 TYR A 22 99.083 -10.214 10.660 1.00 0.00 H new ATOM 0 HE1 TYR A 22 99.536 -5.919 13.101 1.00 0.00 H new ATOM 0 HE2 TYR A 22 100.328 -8.329 9.638 1.00 0.00 H new ATOM 0 HH TYR A 22 101.043 -6.224 9.856 1.00 0.00 H new ATOM 60 N LEU A 23 94.412 -10.439 14.204 1.00 0.00 N ATOM 61 CA LEU A 23 93.292 -11.362 14.311 1.00 0.00 C ATOM 62 C LEU A 23 92.618 -11.517 12.955 1.00 0.00 C ATOM 63 O LEU A 23 92.277 -12.623 12.533 1.00 0.00 O ATOM 64 CB LEU A 23 92.280 -10.827 15.331 1.00 0.00 C ATOM 65 CG LEU A 23 91.228 -11.898 15.651 1.00 0.00 C ATOM 66 CD1 LEU A 23 91.882 -13.092 16.355 1.00 0.00 C ATOM 67 CD2 LEU A 23 90.159 -11.292 16.564 1.00 0.00 C ATOM 0 H LEU A 23 94.153 -9.453 14.210 1.00 0.00 H new ATOM 0 HA LEU A 23 93.659 -12.334 14.641 1.00 0.00 H new ATOM 0 HB2 LEU A 23 92.796 -10.530 16.244 1.00 0.00 H new ATOM 0 HB3 LEU A 23 91.793 -9.935 14.936 1.00 0.00 H new ATOM 0 HG LEU A 23 90.774 -12.243 14.722 1.00 0.00 H new ATOM 0 HD11 LEU A 23 91.124 -13.844 16.576 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.644 -13.524 15.706 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.344 -12.758 17.284 1.00 0.00 H new ATOM 0 HD21 LEU A 23 89.408 -12.047 16.796 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.623 -10.946 17.488 1.00 0.00 H new ATOM 0 HD23 LEU A 23 89.684 -10.451 16.059 1.00 0.00 H new ATOM 79 N VAL A 24 92.433 -10.389 12.281 1.00 0.00 N ATOM 80 CA VAL A 24 91.800 -10.380 10.969 1.00 0.00 C ATOM 81 C VAL A 24 92.507 -9.402 10.037 1.00 0.00 C ATOM 82 O VAL A 24 92.828 -8.279 10.424 1.00 0.00 O ATOM 83 CB VAL A 24 90.327 -10.007 11.099 1.00 0.00 C ATOM 84 CG1 VAL A 24 89.713 -9.850 9.707 1.00 0.00 C ATOM 85 CG2 VAL A 24 89.585 -11.110 11.857 1.00 0.00 C ATOM 0 H VAL A 24 92.712 -9.469 12.621 1.00 0.00 H new ATOM 0 HA VAL A 24 91.877 -11.380 10.543 1.00 0.00 H new ATOM 0 HB VAL A 24 90.240 -9.067 11.644 1.00 0.00 H new ATOM 0 HG11 VAL A 24 88.660 -9.583 9.802 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.239 -9.065 9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.802 -10.790 9.162 1.00 0.00 H new ATOM 0 HG21 VAL A 24 88.532 -10.843 11.950 1.00 0.00 H new ATOM 0 HG22 VAL A 24 89.674 -12.050 11.312 1.00 0.00 H new ATOM 0 HG23 VAL A 24 90.019 -11.224 12.850 1.00 0.00 H new ATOM 95 N GLU A 25 92.748 -9.840 8.812 1.00 0.00 N ATOM 96 CA GLU A 25 93.424 -8.998 7.830 1.00 0.00 C ATOM 97 C GLU A 25 93.234 -9.556 6.423 1.00 0.00 C ATOM 98 O GLU A 25 93.112 -10.768 6.242 1.00 0.00 O ATOM 99 CB GLU A 25 94.914 -8.927 8.167 1.00 0.00 C ATOM 100 CG GLU A 25 95.501 -10.341 8.187 1.00 0.00 C ATOM 101 CD GLU A 25 96.832 -10.338 8.924 1.00 0.00 C ATOM 102 OE1 GLU A 25 96.818 -10.103 10.121 1.00 0.00 O ATOM 103 OE2 GLU A 25 97.844 -10.571 8.286 1.00 0.00 O ATOM 0 H GLU A 25 92.489 -10.766 8.472 1.00 0.00 H new ATOM 0 HA GLU A 25 92.992 -7.998 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 25 95.436 -8.316 7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 25 95.056 -8.449 9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 25 94.807 -11.026 8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 25 95.641 -10.701 7.168 1.00 0.00 H new ATOM 110 N PHE A 26 93.210 -8.670 5.429 1.00 0.00 N ATOM 111 CA PHE A 26 93.032 -9.106 4.044 1.00 0.00 C ATOM 112 C PHE A 26 93.240 -7.937 3.078 1.00 0.00 C ATOM 113 O PHE A 26 92.977 -6.785 3.416 1.00 0.00 O ATOM 114 CB PHE A 26 91.626 -9.685 3.859 1.00 0.00 C ATOM 115 CG PHE A 26 91.665 -10.784 2.825 1.00 0.00 C ATOM 116 CD1 PHE A 26 92.363 -11.967 3.094 1.00 0.00 C ATOM 117 CD2 PHE A 26 91.003 -10.624 1.601 1.00 0.00 C ATOM 118 CE1 PHE A 26 92.400 -12.990 2.141 1.00 0.00 C ATOM 119 CE2 PHE A 26 91.039 -11.648 0.648 1.00 0.00 C ATOM 120 CZ PHE A 26 91.738 -12.831 0.918 1.00 0.00 C ATOM 0 H PHE A 26 93.310 -7.662 5.552 1.00 0.00 H new ATOM 0 HA PHE A 26 93.774 -9.874 3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 26 91.255 -10.076 4.806 1.00 0.00 H new ATOM 0 HB3 PHE A 26 90.937 -8.901 3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 26 92.873 -12.090 4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 26 90.465 -9.711 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 26 92.939 -13.902 2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 26 90.528 -11.526 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 26 91.766 -13.621 0.182 1.00 0.00 H new ATOM 130 N ARG A 27 93.712 -8.241 1.871 1.00 0.00 N ATOM 131 CA ARG A 27 93.943 -7.198 0.870 1.00 0.00 C ATOM 132 C ARG A 27 92.619 -6.728 0.275 1.00 0.00 C ATOM 133 O ARG A 27 91.634 -7.464 0.274 1.00 0.00 O ATOM 134 CB ARG A 27 94.848 -7.722 -0.256 1.00 0.00 C ATOM 135 CG ARG A 27 96.334 -7.563 0.109 1.00 0.00 C ATOM 136 CD ARG A 27 96.740 -8.631 1.126 1.00 0.00 C ATOM 137 NE ARG A 27 96.677 -9.953 0.512 1.00 0.00 N ATOM 138 CZ ARG A 27 96.965 -11.049 1.205 1.00 0.00 C ATOM 139 NH1 ARG A 27 96.886 -12.221 0.635 1.00 0.00 N ATOM 140 NH2 ARG A 27 97.332 -10.953 2.452 1.00 0.00 N ATOM 0 H ARG A 27 93.940 -9.187 1.564 1.00 0.00 H new ATOM 0 HA ARG A 27 94.434 -6.360 1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 27 94.627 -8.772 -0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 27 94.637 -7.181 -1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 27 96.948 -7.650 -0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 27 96.511 -6.570 0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 27 97.750 -8.436 1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 27 96.079 -8.591 1.992 1.00 0.00 H new ATOM 0 HE ARG A 27 96.407 -10.037 -0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 27 96.603 -12.295 -0.342 1.00 0.00 H new ATOM 0 HH12 ARG A 27 97.107 -13.063 1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 27 97.398 -10.037 2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 27 97.553 -11.794 2.985 1.00 0.00 H new ATOM 154 N ALA A 28 92.607 -5.493 -0.228 1.00 0.00 N ATOM 155 CA ALA A 28 91.407 -4.928 -0.823 1.00 0.00 C ATOM 156 C ALA A 28 91.768 -3.788 -1.768 1.00 0.00 C ATOM 157 O ALA A 28 92.822 -3.165 -1.642 1.00 0.00 O ATOM 158 CB ALA A 28 90.472 -4.410 0.270 1.00 0.00 C ATOM 0 H ALA A 28 93.415 -4.870 -0.233 1.00 0.00 H new ATOM 0 HA ALA A 28 90.902 -5.711 -1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 28 89.576 -3.989 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 28 90.191 -5.232 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 28 90.981 -3.639 0.849 1.00 0.00 H new ATOM 164 N GLY A 29 90.879 -3.527 -2.711 1.00 0.00 N ATOM 165 CA GLY A 29 91.088 -2.464 -3.688 1.00 0.00 C ATOM 166 C GLY A 29 90.109 -1.316 -3.471 1.00 0.00 C ATOM 167 O GLY A 29 88.940 -1.530 -3.149 1.00 0.00 O ATOM 0 H GLY A 29 90.002 -4.036 -2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 29 92.110 -2.093 -3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 29 90.967 -2.863 -4.695 1.00 0.00 H new ATOM 171 N LYS A 30 90.600 -0.098 -3.655 1.00 0.00 N ATOM 172 CA LYS A 30 89.777 1.093 -3.484 1.00 0.00 C ATOM 173 C LYS A 30 89.315 1.617 -4.841 1.00 0.00 C ATOM 174 O LYS A 30 89.880 1.262 -5.874 1.00 0.00 O ATOM 175 CB LYS A 30 90.586 2.180 -2.773 1.00 0.00 C ATOM 176 CG LYS A 30 89.637 3.169 -2.088 1.00 0.00 C ATOM 177 CD LYS A 30 90.445 4.285 -1.420 1.00 0.00 C ATOM 178 CE LYS A 30 90.755 5.387 -2.441 1.00 0.00 C ATOM 179 NZ LYS A 30 91.490 6.492 -1.767 1.00 0.00 N ATOM 0 H LYS A 30 91.566 0.092 -3.923 1.00 0.00 H new ATOM 0 HA LYS A 30 88.904 0.832 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 30 91.250 1.728 -2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 30 91.217 2.705 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 30 88.949 3.593 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 30 89.032 2.651 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 30 89.885 4.700 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 30 91.373 3.882 -1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 30 91.353 4.983 -3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 30 89.830 5.764 -2.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 91.701 7.240 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 90.904 6.883 -1.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 92.379 6.126 -1.370 1.00 0.00 H new ATOM 193 N MET A 31 88.294 2.470 -4.828 1.00 0.00 N ATOM 194 CA MET A 31 87.778 3.054 -6.063 1.00 0.00 C ATOM 195 C MET A 31 88.042 4.556 -6.072 1.00 0.00 C ATOM 196 O MET A 31 87.926 5.219 -5.041 1.00 0.00 O ATOM 197 CB MET A 31 86.276 2.798 -6.189 1.00 0.00 C ATOM 198 CG MET A 31 86.010 1.289 -6.217 1.00 0.00 C ATOM 199 SD MET A 31 84.247 0.980 -6.509 1.00 0.00 S ATOM 200 CE MET A 31 84.256 1.160 -8.314 1.00 0.00 C ATOM 0 H MET A 31 87.810 2.771 -3.982 1.00 0.00 H new ATOM 0 HA MET A 31 88.286 2.589 -6.907 1.00 0.00 H new ATOM 0 HB2 MET A 31 85.748 3.255 -5.352 1.00 0.00 H new ATOM 0 HB3 MET A 31 85.893 3.261 -7.098 1.00 0.00 H new ATOM 0 HG2 MET A 31 86.605 0.820 -7.001 1.00 0.00 H new ATOM 0 HG3 MET A 31 86.316 0.839 -5.272 1.00 0.00 H new ATOM 0 HE1 MET A 31 83.240 1.058 -8.695 1.00 0.00 H new ATOM 0 HE2 MET A 31 84.646 2.142 -8.580 1.00 0.00 H new ATOM 0 HE3 MET A 31 84.887 0.388 -8.754 1.00 0.00 H new ATOM 210 N SER A 32 88.408 5.089 -7.235 1.00 0.00 N ATOM 211 CA SER A 32 88.695 6.506 -7.353 1.00 0.00 C ATOM 212 C SER A 32 87.391 7.302 -7.410 1.00 0.00 C ATOM 213 O SER A 32 86.548 7.054 -8.272 1.00 0.00 O ATOM 214 CB SER A 32 89.505 6.748 -8.627 1.00 0.00 C ATOM 215 OG SER A 32 89.905 8.106 -8.678 1.00 0.00 O ATOM 0 H SER A 32 88.511 4.560 -8.101 1.00 0.00 H new ATOM 0 HA SER A 32 89.268 6.834 -6.485 1.00 0.00 H new ATOM 0 HB2 SER A 32 90.380 6.099 -8.644 1.00 0.00 H new ATOM 0 HB3 SER A 32 88.907 6.500 -9.504 1.00 0.00 H new ATOM 0 HG SER A 32 90.861 8.173 -8.474 1.00 0.00 H new ATOM 221 N LEU A 33 87.228 8.246 -6.482 1.00 0.00 N ATOM 222 CA LEU A 33 86.014 9.060 -6.436 1.00 0.00 C ATOM 223 C LEU A 33 86.314 10.508 -6.807 1.00 0.00 C ATOM 224 O LEU A 33 87.128 11.171 -6.165 1.00 0.00 O ATOM 225 CB LEU A 33 85.387 8.997 -5.036 1.00 0.00 C ATOM 226 CG LEU A 33 84.127 9.876 -4.973 1.00 0.00 C ATOM 227 CD1 LEU A 33 83.107 9.399 -6.012 1.00 0.00 C ATOM 228 CD2 LEU A 33 83.504 9.769 -3.579 1.00 0.00 C ATOM 0 H LEU A 33 87.914 8.464 -5.759 1.00 0.00 H new ATOM 0 HA LEU A 33 85.308 8.658 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 33 85.132 7.966 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 33 86.109 9.332 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 33 84.402 10.910 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 33 82.217 10.026 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 33 83.544 9.467 -7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 33 82.834 8.364 -5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 33 82.610 10.391 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 33 83.235 8.732 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 33 84.222 10.108 -2.832 1.00 0.00 H new ATOM 240 N LYS A 34 85.641 10.992 -7.846 1.00 0.00 N ATOM 241 CA LYS A 34 85.829 12.361 -8.301 1.00 0.00 C ATOM 242 C LYS A 34 84.569 12.869 -9.004 1.00 0.00 C ATOM 243 O LYS A 34 83.943 12.133 -9.768 1.00 0.00 O ATOM 244 CB LYS A 34 87.016 12.403 -9.265 1.00 0.00 C ATOM 245 CG LYS A 34 86.747 11.475 -10.458 1.00 0.00 C ATOM 246 CD LYS A 34 88.072 10.965 -11.033 1.00 0.00 C ATOM 247 CE LYS A 34 88.513 9.707 -10.273 1.00 0.00 C ATOM 248 NZ LYS A 34 89.813 9.226 -10.823 1.00 0.00 N ATOM 0 H LYS A 34 84.962 10.456 -8.387 1.00 0.00 H new ATOM 0 HA LYS A 34 86.025 13.003 -7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 34 87.177 13.423 -9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 34 87.926 12.095 -8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 34 86.130 10.634 -10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 34 86.189 12.010 -11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 34 87.957 10.740 -12.093 1.00 0.00 H new ATOM 0 HD3 LYS A 34 88.837 11.738 -10.952 1.00 0.00 H new ATOM 0 HE2 LYS A 34 88.614 9.928 -9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 34 87.756 8.928 -10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 90.254 8.569 -10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 89.648 8.736 -11.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 90.445 10.037 -10.980 1.00 0.00 H new ATOM 262 N GLY A 35 84.204 14.127 -8.744 1.00 0.00 N ATOM 263 CA GLY A 35 83.019 14.715 -9.371 1.00 0.00 C ATOM 264 C GLY A 35 81.885 13.699 -9.443 1.00 0.00 C ATOM 265 O GLY A 35 81.317 13.463 -10.510 1.00 0.00 O ATOM 0 H GLY A 35 84.705 14.751 -8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 35 82.696 15.587 -8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 35 83.267 15.062 -10.374 1.00 0.00 H new ATOM 269 N THR A 36 81.581 13.078 -8.309 1.00 0.00 N ATOM 270 CA THR A 36 80.539 12.061 -8.258 1.00 0.00 C ATOM 271 C THR A 36 80.775 11.035 -9.359 1.00 0.00 C ATOM 272 O THR A 36 79.981 10.894 -10.290 1.00 0.00 O ATOM 273 CB THR A 36 79.159 12.691 -8.425 1.00 0.00 C ATOM 274 OG1 THR A 36 79.258 13.841 -9.254 1.00 0.00 O ATOM 275 CG2 THR A 36 78.607 13.086 -7.053 1.00 0.00 C ATOM 0 H THR A 36 82.040 13.260 -7.416 1.00 0.00 H new ATOM 0 HA THR A 36 80.577 11.570 -7.285 1.00 0.00 H new ATOM 0 HB THR A 36 78.485 11.971 -8.889 1.00 0.00 H new ATOM 0 HG1 THR A 36 79.661 13.592 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 36 77.621 13.536 -7.173 1.00 0.00 H new ATOM 0 HG22 THR A 36 78.527 12.199 -6.424 1.00 0.00 H new ATOM 0 HG23 THR A 36 79.279 13.804 -6.584 1.00 0.00 H new ATOM 283 N THR A 37 81.880 10.326 -9.233 1.00 0.00 N ATOM 284 CA THR A 37 82.246 9.303 -10.203 1.00 0.00 C ATOM 285 C THR A 37 83.078 8.219 -9.523 1.00 0.00 C ATOM 286 O THR A 37 84.240 8.432 -9.190 1.00 0.00 O ATOM 287 CB THR A 37 83.046 9.930 -11.349 1.00 0.00 C ATOM 288 OG1 THR A 37 82.452 11.169 -11.716 1.00 0.00 O ATOM 289 CG2 THR A 37 83.035 8.990 -12.554 1.00 0.00 C ATOM 0 H THR A 37 82.544 10.438 -8.467 1.00 0.00 H new ATOM 0 HA THR A 37 81.338 8.856 -10.607 1.00 0.00 H new ATOM 0 HB THR A 37 84.073 10.096 -11.025 1.00 0.00 H new ATOM 0 HG1 THR A 37 82.786 11.879 -11.128 1.00 0.00 H new ATOM 0 HG21 THR A 37 83.604 9.437 -13.369 1.00 0.00 H new ATOM 0 HG22 THR A 37 83.485 8.037 -12.276 1.00 0.00 H new ATOM 0 HG23 THR A 37 82.007 8.825 -12.877 1.00 0.00 H new ATOM 297 N VAL A 38 82.459 7.066 -9.310 1.00 0.00 N ATOM 298 CA VAL A 38 83.116 5.944 -8.650 1.00 0.00 C ATOM 299 C VAL A 38 83.693 4.966 -9.663 1.00 0.00 C ATOM 300 O VAL A 38 82.953 4.214 -10.292 1.00 0.00 O ATOM 301 CB VAL A 38 82.085 5.214 -7.794 1.00 0.00 C ATOM 302 CG1 VAL A 38 82.727 4.005 -7.130 1.00 0.00 C ATOM 303 CG2 VAL A 38 81.560 6.161 -6.725 1.00 0.00 C ATOM 0 H VAL A 38 81.495 6.882 -9.587 1.00 0.00 H new ATOM 0 HA VAL A 38 83.933 6.329 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 38 81.262 4.879 -8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.986 3.488 -6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 38 83.104 3.327 -7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 38 83.552 4.333 -6.498 1.00 0.00 H new ATOM 0 HG21 VAL A 38 80.823 5.644 -6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.386 6.494 -6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 38 81.094 7.024 -7.201 1.00 0.00 H new ATOM 313 N THR A 39 85.016 4.974 -9.798 1.00 0.00 N ATOM 314 CA THR A 39 85.694 4.084 -10.726 1.00 0.00 C ATOM 315 C THR A 39 86.786 3.317 -9.991 1.00 0.00 C ATOM 316 O THR A 39 87.247 3.755 -8.944 1.00 0.00 O ATOM 317 CB THR A 39 86.326 4.910 -11.834 1.00 0.00 C ATOM 318 OG1 THR A 39 87.742 4.851 -11.722 1.00 0.00 O ATOM 319 CG2 THR A 39 85.867 6.370 -11.716 1.00 0.00 C ATOM 0 H THR A 39 85.638 5.589 -9.274 1.00 0.00 H new ATOM 0 HA THR A 39 84.976 3.381 -11.148 1.00 0.00 H new ATOM 0 HB THR A 39 86.019 4.510 -12.800 1.00 0.00 H new ATOM 0 HG1 THR A 39 88.149 5.383 -12.438 1.00 0.00 H new ATOM 0 HG21 THR A 39 86.322 6.960 -12.512 1.00 0.00 H new ATOM 0 HG22 THR A 39 84.782 6.418 -11.803 1.00 0.00 H new ATOM 0 HG23 THR A 39 86.171 6.770 -10.749 1.00 0.00 H new ATOM 327 N PRO A 40 87.219 2.199 -10.504 1.00 0.00 N ATOM 328 CA PRO A 40 88.288 1.401 -9.845 1.00 0.00 C ATOM 329 C PRO A 40 89.592 2.184 -9.737 1.00 0.00 C ATOM 330 O PRO A 40 90.099 2.704 -10.731 1.00 0.00 O ATOM 331 CB PRO A 40 88.462 0.186 -10.761 1.00 0.00 C ATOM 332 CG PRO A 40 87.875 0.592 -12.069 1.00 0.00 C ATOM 333 CD PRO A 40 86.750 1.564 -11.738 1.00 0.00 C ATOM 0 HA PRO A 40 88.024 1.131 -8.823 1.00 0.00 H new ATOM 0 HB2 PRO A 40 89.514 -0.079 -10.867 1.00 0.00 H new ATOM 0 HB3 PRO A 40 87.953 -0.688 -10.356 1.00 0.00 H new ATOM 0 HG2 PRO A 40 88.625 1.064 -12.704 1.00 0.00 H new ATOM 0 HG3 PRO A 40 87.496 -0.273 -12.613 1.00 0.00 H new ATOM 0 HD2 PRO A 40 86.598 2.292 -12.535 1.00 0.00 H new ATOM 0 HD3 PRO A 40 85.801 1.049 -11.592 1.00 0.00 H new ATOM 341 N ASP A 41 90.130 2.260 -8.526 1.00 0.00 N ATOM 342 CA ASP A 41 91.378 2.975 -8.302 1.00 0.00 C ATOM 343 C ASP A 41 92.562 2.063 -8.590 1.00 0.00 C ATOM 344 O ASP A 41 92.515 0.866 -8.311 1.00 0.00 O ATOM 345 CB ASP A 41 91.458 3.472 -6.856 1.00 0.00 C ATOM 346 CG ASP A 41 92.516 4.564 -6.729 1.00 0.00 C ATOM 347 OD1 ASP A 41 92.902 5.118 -7.746 1.00 0.00 O ATOM 348 OD2 ASP A 41 92.927 4.832 -5.612 1.00 0.00 O ATOM 0 H ASP A 41 89.725 1.838 -7.690 1.00 0.00 H new ATOM 0 HA ASP A 41 91.408 3.832 -8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 41 90.488 3.858 -6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 41 91.700 2.642 -6.192 1.00 0.00 H new ATOM 353 N LYS A 42 93.616 2.633 -9.148 1.00 0.00 N ATOM 354 CA LYS A 42 94.804 1.849 -9.465 1.00 0.00 C ATOM 355 C LYS A 42 95.659 1.645 -8.217 1.00 0.00 C ATOM 356 O LYS A 42 96.619 0.876 -8.233 1.00 0.00 O ATOM 357 CB LYS A 42 95.633 2.549 -10.544 1.00 0.00 C ATOM 358 CG LYS A 42 94.801 2.678 -11.824 1.00 0.00 C ATOM 359 CD LYS A 42 95.621 3.364 -12.926 1.00 0.00 C ATOM 360 CE LYS A 42 96.565 2.354 -13.592 1.00 0.00 C ATOM 361 NZ LYS A 42 97.267 3.008 -14.729 1.00 0.00 N ATOM 0 H LYS A 42 93.677 3.622 -9.389 1.00 0.00 H new ATOM 0 HA LYS A 42 94.480 0.877 -9.837 1.00 0.00 H new ATOM 0 HB2 LYS A 42 95.942 3.535 -10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 42 96.542 1.982 -10.744 1.00 0.00 H new ATOM 0 HG2 LYS A 42 94.482 1.691 -12.160 1.00 0.00 H new ATOM 0 HG3 LYS A 42 93.897 3.253 -11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 42 94.953 3.794 -13.672 1.00 0.00 H new ATOM 0 HD3 LYS A 42 96.197 4.186 -12.502 1.00 0.00 H new ATOM 0 HE2 LYS A 42 97.290 1.985 -12.867 1.00 0.00 H new ATOM 0 HE3 LYS A 42 96.001 1.491 -13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 97.907 2.324 -15.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 96.568 3.340 -15.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 97.817 3.818 -14.378 1.00 0.00 H new ATOM 375 N ARG A 43 95.309 2.346 -7.142 1.00 0.00 N ATOM 376 CA ARG A 43 96.060 2.238 -5.893 1.00 0.00 C ATOM 377 C ARG A 43 95.526 1.090 -5.036 1.00 0.00 C ATOM 378 O ARG A 43 94.331 1.024 -4.745 1.00 0.00 O ATOM 379 CB ARG A 43 95.956 3.552 -5.118 1.00 0.00 C ATOM 380 CG ARG A 43 96.900 3.520 -3.914 1.00 0.00 C ATOM 381 CD ARG A 43 96.936 4.904 -3.265 1.00 0.00 C ATOM 382 NE ARG A 43 97.477 5.881 -4.203 1.00 0.00 N ATOM 383 CZ ARG A 43 97.532 7.174 -3.899 1.00 0.00 C ATOM 384 NH1 ARG A 43 98.003 8.028 -4.766 1.00 0.00 N ATOM 385 NH2 ARG A 43 97.120 7.589 -2.733 1.00 0.00 N ATOM 0 H ARG A 43 94.518 2.989 -7.109 1.00 0.00 H new ATOM 0 HA ARG A 43 97.104 2.034 -6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 43 96.209 4.389 -5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 43 94.930 3.707 -4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 43 96.563 2.776 -3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 43 97.901 3.227 -4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 43 95.932 5.198 -2.960 1.00 0.00 H new ATOM 0 HD3 ARG A 43 97.548 4.876 -2.363 1.00 0.00 H new ATOM 0 HE ARG A 43 97.820 5.566 -5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 43 98.329 7.703 -5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 43 98.045 9.020 -4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 43 96.755 6.921 -2.054 1.00 0.00 H new ATOM 0 HH22 ARG A 43 97.163 8.581 -2.501 1.00 0.00 H new ATOM 399 N LYS A 44 96.419 0.186 -4.637 1.00 0.00 N ATOM 400 CA LYS A 44 96.027 -0.958 -3.817 1.00 0.00 C ATOM 401 C LYS A 44 96.027 -0.590 -2.337 1.00 0.00 C ATOM 402 O LYS A 44 96.762 0.300 -1.910 1.00 0.00 O ATOM 403 CB LYS A 44 96.993 -2.124 -4.044 1.00 0.00 C ATOM 404 CG LYS A 44 96.933 -2.565 -5.508 1.00 0.00 C ATOM 405 CD LYS A 44 97.820 -3.798 -5.701 1.00 0.00 C ATOM 406 CE LYS A 44 97.779 -4.238 -7.167 1.00 0.00 C ATOM 407 NZ LYS A 44 98.466 -3.219 -8.011 1.00 0.00 N ATOM 0 H LYS A 44 97.412 0.223 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 44 95.019 -1.252 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 44 98.008 -1.823 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 44 96.732 -2.958 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 44 95.905 -2.794 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 44 97.268 -1.756 -6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 44 98.845 -3.570 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 44 97.477 -4.609 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 44 98.265 -5.207 -7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 44 96.746 -4.359 -7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 98.695 -3.633 -8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 97.840 -2.399 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 99.343 -2.914 -7.542 1.00 0.00 H new ATOM 421 N GLY A 45 95.201 -1.283 -1.557 1.00 0.00 N ATOM 422 CA GLY A 45 95.118 -1.022 -0.125 1.00 0.00 C ATOM 423 C GLY A 45 95.058 -2.322 0.665 1.00 0.00 C ATOM 424 O GLY A 45 94.782 -3.385 0.107 1.00 0.00 O ATOM 0 H GLY A 45 94.584 -2.024 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 45 95.983 -0.439 0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 45 94.233 -0.422 0.088 1.00 0.00 H new ATOM 428 N LEU A 46 95.317 -2.229 1.969 1.00 0.00 N ATOM 429 CA LEU A 46 95.286 -3.410 2.830 1.00 0.00 C ATOM 430 C LEU A 46 94.352 -3.182 4.013 1.00 0.00 C ATOM 431 O LEU A 46 94.389 -2.132 4.651 1.00 0.00 O ATOM 432 CB LEU A 46 96.700 -3.731 3.332 1.00 0.00 C ATOM 433 CG LEU A 46 96.803 -5.217 3.718 1.00 0.00 C ATOM 434 CD1 LEU A 46 98.273 -5.587 3.919 1.00 0.00 C ATOM 435 CD2 LEU A 46 96.029 -5.496 5.014 1.00 0.00 C ATOM 0 H LEU A 46 95.548 -1.359 2.448 1.00 0.00 H new ATOM 0 HA LEU A 46 94.914 -4.254 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 46 97.430 -3.498 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 46 96.938 -3.107 4.193 1.00 0.00 H new ATOM 0 HG LEU A 46 96.371 -5.816 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 46 98.349 -6.639 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 46 98.822 -5.412 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 46 98.697 -4.974 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 46 96.115 -6.552 5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 46 96.443 -4.893 5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 46 94.979 -5.241 4.873 1.00 0.00 H new ATOM 447 N VAL A 47 93.513 -4.176 4.296 1.00 0.00 N ATOM 448 CA VAL A 47 92.565 -4.073 5.402 1.00 0.00 C ATOM 449 C VAL A 47 93.072 -4.807 6.636 1.00 0.00 C ATOM 450 O VAL A 47 93.301 -6.015 6.603 1.00 0.00 O ATOM 451 CB VAL A 47 91.210 -4.657 4.989 1.00 0.00 C ATOM 452 CG1 VAL A 47 90.253 -4.618 6.183 1.00 0.00 C ATOM 453 CG2 VAL A 47 90.626 -3.828 3.845 1.00 0.00 C ATOM 0 H VAL A 47 93.470 -5.055 3.780 1.00 0.00 H new ATOM 0 HA VAL A 47 92.454 -3.017 5.647 1.00 0.00 H new ATOM 0 HB VAL A 47 91.344 -5.688 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 47 89.289 -5.033 5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 47 90.668 -5.206 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 47 90.120 -3.586 6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.662 -4.243 3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 47 90.492 -2.797 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.307 -3.852 2.994 1.00 0.00 H new ATOM 463 N TYR A 48 93.230 -4.061 7.725 1.00 0.00 N ATOM 464 CA TYR A 48 93.695 -4.631 8.982 1.00 0.00 C ATOM 465 C TYR A 48 92.654 -4.423 10.076 1.00 0.00 C ATOM 466 O TYR A 48 92.234 -3.295 10.336 1.00 0.00 O ATOM 467 CB TYR A 48 95.014 -3.981 9.398 1.00 0.00 C ATOM 468 CG TYR A 48 96.167 -4.801 8.878 1.00 0.00 C ATOM 469 CD1 TYR A 48 97.016 -4.281 7.895 1.00 0.00 C ATOM 470 CD2 TYR A 48 96.387 -6.086 9.385 1.00 0.00 C ATOM 471 CE1 TYR A 48 98.086 -5.047 7.419 1.00 0.00 C ATOM 472 CE2 TYR A 48 97.456 -6.854 8.909 1.00 0.00 C ATOM 473 CZ TYR A 48 98.305 -6.334 7.925 1.00 0.00 C ATOM 474 OH TYR A 48 99.360 -7.088 7.456 1.00 0.00 O ATOM 0 H TYR A 48 93.042 -3.059 7.761 1.00 0.00 H new ATOM 0 HA TYR A 48 93.851 -5.700 8.840 1.00 0.00 H new ATOM 0 HB2 TYR A 48 95.070 -2.966 9.006 1.00 0.00 H new ATOM 0 HB3 TYR A 48 95.068 -3.907 10.484 1.00 0.00 H new ATOM 0 HD1 TYR A 48 96.846 -3.289 7.504 1.00 0.00 H new ATOM 0 HD2 TYR A 48 95.731 -6.486 10.144 1.00 0.00 H new ATOM 0 HE1 TYR A 48 98.743 -4.646 6.661 1.00 0.00 H new ATOM 0 HE2 TYR A 48 97.626 -7.846 9.300 1.00 0.00 H new ATOM 0 HH TYR A 48 99.370 -7.955 7.912 1.00 0.00 H new ATOM 484 N ILE A 49 92.244 -5.516 10.711 1.00 0.00 N ATOM 485 CA ILE A 49 91.252 -5.451 11.778 1.00 0.00 C ATOM 486 C ILE A 49 91.741 -6.188 13.022 1.00 0.00 C ATOM 487 O ILE A 49 92.202 -7.329 12.948 1.00 0.00 O ATOM 488 CB ILE A 49 89.923 -6.034 11.292 1.00 0.00 C ATOM 489 CG1 ILE A 49 89.299 -5.079 10.270 1.00 0.00 C ATOM 490 CG2 ILE A 49 88.967 -6.242 12.473 1.00 0.00 C ATOM 491 CD1 ILE A 49 88.093 -5.746 9.605 1.00 0.00 C ATOM 0 H ILE A 49 92.583 -6.456 10.506 1.00 0.00 H new ATOM 0 HA ILE A 49 91.100 -4.406 12.047 1.00 0.00 H new ATOM 0 HB ILE A 49 90.104 -7.002 10.824 1.00 0.00 H new ATOM 0 HG12 ILE A 49 88.990 -4.157 10.762 1.00 0.00 H new ATOM 0 HG13 ILE A 49 90.037 -4.806 9.516 1.00 0.00 H new ATOM 0 HG21 ILE A 49 88.026 -6.657 12.111 1.00 0.00 H new ATOM 0 HG22 ILE A 49 89.416 -6.931 13.188 1.00 0.00 H new ATOM 0 HG23 ILE A 49 88.778 -5.286 12.961 1.00 0.00 H new ATOM 0 HD11 ILE A 49 87.653 -5.062 8.879 1.00 0.00 H new ATOM 0 HD12 ILE A 49 88.414 -6.656 9.098 1.00 0.00 H new ATOM 0 HD13 ILE A 49 87.351 -5.996 10.364 1.00 0.00 H new ATOM 503 N GLN A 50 91.634 -5.518 14.164 1.00 0.00 N ATOM 504 CA GLN A 50 92.063 -6.103 15.429 1.00 0.00 C ATOM 505 C GLN A 50 91.160 -5.642 16.567 1.00 0.00 C ATOM 506 O GLN A 50 90.778 -4.477 16.633 1.00 0.00 O ATOM 507 CB GLN A 50 93.512 -5.706 15.728 1.00 0.00 C ATOM 508 CG GLN A 50 93.861 -6.057 17.178 1.00 0.00 C ATOM 509 CD GLN A 50 93.630 -4.853 18.088 1.00 0.00 C ATOM 510 OE1 GLN A 50 94.188 -4.789 19.183 1.00 0.00 O ATOM 511 NE2 GLN A 50 92.832 -3.894 17.705 1.00 0.00 N ATOM 0 H GLN A 50 91.256 -4.574 14.240 1.00 0.00 H new ATOM 0 HA GLN A 50 91.996 -7.188 15.345 1.00 0.00 H new ATOM 0 HB2 GLN A 50 94.188 -6.223 15.047 1.00 0.00 H new ATOM 0 HB3 GLN A 50 93.647 -4.637 15.561 1.00 0.00 H new ATOM 0 HG2 GLN A 50 93.251 -6.896 17.513 1.00 0.00 H new ATOM 0 HG3 GLN A 50 94.902 -6.374 17.242 1.00 0.00 H new ATOM 0 HE21 GLN A 50 92.370 -3.947 16.797 1.00 0.00 H new ATOM 0 HE22 GLN A 50 92.671 -3.091 18.313 1.00 0.00 H new ATOM 520 N GLN A 51 90.821 -6.564 17.461 1.00 0.00 N ATOM 521 CA GLN A 51 89.964 -6.238 18.592 1.00 0.00 C ATOM 522 C GLN A 51 90.809 -5.887 19.813 1.00 0.00 C ATOM 523 O GLN A 51 91.725 -6.624 20.178 1.00 0.00 O ATOM 524 CB GLN A 51 89.052 -7.424 18.912 1.00 0.00 C ATOM 525 CG GLN A 51 87.992 -7.009 19.940 1.00 0.00 C ATOM 526 CD GLN A 51 88.123 -7.860 21.199 1.00 0.00 C ATOM 527 OE1 GLN A 51 88.398 -9.058 21.116 1.00 0.00 O ATOM 528 NE2 GLN A 51 87.936 -7.314 22.370 1.00 0.00 N ATOM 0 H GLN A 51 91.125 -7.537 17.424 1.00 0.00 H new ATOM 0 HA GLN A 51 89.351 -5.375 18.331 1.00 0.00 H new ATOM 0 HB2 GLN A 51 88.568 -7.777 18.001 1.00 0.00 H new ATOM 0 HB3 GLN A 51 89.643 -8.253 19.301 1.00 0.00 H new ATOM 0 HG2 GLN A 51 88.110 -5.955 20.190 1.00 0.00 H new ATOM 0 HG3 GLN A 51 86.995 -7.126 19.514 1.00 0.00 H new ATOM 0 HE21 GLN A 51 87.708 -6.322 22.440 1.00 0.00 H new ATOM 0 HE22 GLN A 51 88.018 -7.879 23.215 1.00 0.00 H new ATOM 537 N THR A 52 90.503 -4.751 20.433 1.00 0.00 N ATOM 538 CA THR A 52 91.248 -4.305 21.606 1.00 0.00 C ATOM 539 C THR A 52 90.959 -5.197 22.810 1.00 0.00 C ATOM 540 O THR A 52 91.758 -6.067 23.155 1.00 0.00 O ATOM 541 CB THR A 52 90.876 -2.856 21.935 1.00 0.00 C ATOM 542 OG1 THR A 52 89.698 -2.501 21.224 1.00 0.00 O ATOM 543 CG2 THR A 52 92.020 -1.926 21.531 1.00 0.00 C ATOM 0 H THR A 52 89.750 -4.126 20.145 1.00 0.00 H new ATOM 0 HA THR A 52 92.312 -4.368 21.380 1.00 0.00 H new ATOM 0 HB THR A 52 90.699 -2.760 23.006 1.00 0.00 H new ATOM 0 HG1 THR A 52 89.781 -1.583 20.891 1.00 0.00 H new ATOM 0 HG21 THR A 52 91.752 -0.896 21.766 1.00 0.00 H new ATOM 0 HG22 THR A 52 92.922 -2.200 22.078 1.00 0.00 H new ATOM 0 HG23 THR A 52 92.203 -2.018 20.460 1.00 0.00 H new ATOM 551 N ASP A 53 89.814 -4.976 23.444 1.00 0.00 N ATOM 552 CA ASP A 53 89.431 -5.770 24.610 1.00 0.00 C ATOM 553 C ASP A 53 88.070 -5.334 25.147 1.00 0.00 C ATOM 554 O ASP A 53 87.392 -6.094 25.839 1.00 0.00 O ATOM 555 CB ASP A 53 90.480 -5.618 25.713 1.00 0.00 C ATOM 556 CG ASP A 53 90.949 -4.169 25.792 1.00 0.00 C ATOM 557 OD1 ASP A 53 91.659 -3.746 24.895 1.00 0.00 O ATOM 558 OD2 ASP A 53 90.588 -3.502 26.748 1.00 0.00 O ATOM 0 H ASP A 53 89.138 -4.261 23.175 1.00 0.00 H new ATOM 0 HA ASP A 53 89.368 -6.813 24.301 1.00 0.00 H new ATOM 0 HB2 ASP A 53 90.060 -5.925 26.671 1.00 0.00 H new ATOM 0 HB3 ASP A 53 91.328 -6.273 25.512 1.00 0.00 H new ATOM 563 N ASP A 54 87.677 -4.106 24.827 1.00 0.00 N ATOM 564 CA ASP A 54 86.401 -3.572 25.285 1.00 0.00 C ATOM 565 C ASP A 54 85.327 -3.789 24.226 1.00 0.00 C ATOM 566 O ASP A 54 84.363 -3.028 24.145 1.00 0.00 O ATOM 567 CB ASP A 54 86.538 -2.078 25.584 1.00 0.00 C ATOM 568 CG ASP A 54 87.373 -1.876 26.843 1.00 0.00 C ATOM 569 OD1 ASP A 54 87.599 -2.849 27.543 1.00 0.00 O ATOM 570 OD2 ASP A 54 87.773 -0.750 27.092 1.00 0.00 O ATOM 0 H ASP A 54 88.223 -3.463 24.253 1.00 0.00 H new ATOM 0 HA ASP A 54 86.110 -4.095 26.196 1.00 0.00 H new ATOM 0 HB2 ASP A 54 87.007 -1.571 24.741 1.00 0.00 H new ATOM 0 HB3 ASP A 54 85.552 -1.633 25.716 1.00 0.00 H new ATOM 575 N SER A 55 85.515 -4.826 23.412 1.00 0.00 N ATOM 576 CA SER A 55 84.574 -5.150 22.343 1.00 0.00 C ATOM 577 C SER A 55 84.662 -4.111 21.235 1.00 0.00 C ATOM 578 O SER A 55 83.700 -3.892 20.501 1.00 0.00 O ATOM 579 CB SER A 55 83.141 -5.198 22.882 1.00 0.00 C ATOM 580 OG SER A 55 83.138 -5.828 24.156 1.00 0.00 O ATOM 0 H SER A 55 86.313 -5.458 23.473 1.00 0.00 H new ATOM 0 HA SER A 55 84.836 -6.130 21.944 1.00 0.00 H new ATOM 0 HB2 SER A 55 82.737 -4.189 22.962 1.00 0.00 H new ATOM 0 HB3 SER A 55 82.499 -5.745 22.192 1.00 0.00 H new ATOM 0 HG SER A 55 82.222 -5.858 24.504 1.00 0.00 H new ATOM 586 N LEU A 56 85.826 -3.477 21.122 1.00 0.00 N ATOM 587 CA LEU A 56 86.037 -2.460 20.099 1.00 0.00 C ATOM 588 C LEU A 56 86.989 -2.978 19.027 1.00 0.00 C ATOM 589 O LEU A 56 88.003 -3.601 19.333 1.00 0.00 O ATOM 590 CB LEU A 56 86.631 -1.197 20.732 1.00 0.00 C ATOM 591 CG LEU A 56 85.701 -0.678 21.832 1.00 0.00 C ATOM 592 CD1 LEU A 56 86.328 0.554 22.487 1.00 0.00 C ATOM 593 CD2 LEU A 56 84.346 -0.296 21.228 1.00 0.00 C ATOM 0 H LEU A 56 86.632 -3.649 21.723 1.00 0.00 H new ATOM 0 HA LEU A 56 85.076 -2.224 19.643 1.00 0.00 H new ATOM 0 HB2 LEU A 56 87.614 -1.416 21.149 1.00 0.00 H new ATOM 0 HB3 LEU A 56 86.771 -0.430 19.971 1.00 0.00 H new ATOM 0 HG LEU A 56 85.556 -1.459 22.579 1.00 0.00 H new ATOM 0 HD11 LEU A 56 85.668 0.925 23.271 1.00 0.00 H new ATOM 0 HD12 LEU A 56 87.291 0.285 22.921 1.00 0.00 H new ATOM 0 HD13 LEU A 56 86.473 1.331 21.736 1.00 0.00 H new ATOM 0 HD21 LEU A 56 83.688 0.073 22.015 1.00 0.00 H new ATOM 0 HD22 LEU A 56 84.488 0.483 20.479 1.00 0.00 H new ATOM 0 HD23 LEU A 56 83.897 -1.172 20.760 1.00 0.00 H new ATOM 605 N ILE A 57 86.654 -2.713 17.768 1.00 0.00 N ATOM 606 CA ILE A 57 87.487 -3.155 16.656 1.00 0.00 C ATOM 607 C ILE A 57 88.290 -1.992 16.091 1.00 0.00 C ATOM 608 O ILE A 57 87.756 -0.912 15.838 1.00 0.00 O ATOM 609 CB ILE A 57 86.616 -3.775 15.558 1.00 0.00 C ATOM 610 CG1 ILE A 57 86.450 -5.272 15.833 1.00 0.00 C ATOM 611 CG2 ILE A 57 87.277 -3.582 14.189 1.00 0.00 C ATOM 612 CD1 ILE A 57 85.899 -5.473 17.245 1.00 0.00 C ATOM 0 H ILE A 57 85.817 -2.198 17.494 1.00 0.00 H new ATOM 0 HA ILE A 57 88.183 -3.908 17.025 1.00 0.00 H new ATOM 0 HB ILE A 57 85.642 -3.286 15.555 1.00 0.00 H new ATOM 0 HG12 ILE A 57 85.774 -5.714 15.101 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.409 -5.780 15.730 1.00 0.00 H new ATOM 0 HG21 ILE A 57 86.650 -4.026 13.416 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.398 -2.517 13.990 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.254 -4.065 14.185 1.00 0.00 H new ATOM 0 HD11 ILE A 57 85.781 -6.539 17.441 1.00 0.00 H new ATOM 0 HD12 ILE A 57 86.591 -5.045 17.970 1.00 0.00 H new ATOM 0 HD13 ILE A 57 84.932 -4.979 17.332 1.00 0.00 H new ATOM 624 N HIS A 58 89.578 -2.234 15.879 1.00 0.00 N ATOM 625 CA HIS A 58 90.452 -1.217 15.323 1.00 0.00 C ATOM 626 C HIS A 58 90.625 -1.457 13.835 1.00 0.00 C ATOM 627 O HIS A 58 91.262 -2.429 13.427 1.00 0.00 O ATOM 628 CB HIS A 58 91.817 -1.249 16.012 1.00 0.00 C ATOM 629 CG HIS A 58 92.570 0.014 15.693 1.00 0.00 C ATOM 630 ND1 HIS A 58 93.755 0.345 16.330 1.00 0.00 N ATOM 631 CD2 HIS A 58 92.319 1.037 14.812 1.00 0.00 C ATOM 632 CE1 HIS A 58 94.170 1.523 15.829 1.00 0.00 C ATOM 633 NE2 HIS A 58 93.331 1.989 14.900 1.00 0.00 N ATOM 0 H HIS A 58 90.036 -3.122 16.084 1.00 0.00 H new ATOM 0 HA HIS A 58 90.002 -0.238 15.487 1.00 0.00 H new ATOM 0 HB2 HIS A 58 91.690 -1.347 17.090 1.00 0.00 H new ATOM 0 HB3 HIS A 58 92.385 -2.118 15.678 1.00 0.00 H new ATOM 0 HD1 HIS A 58 94.227 -0.204 17.048 1.00 0.00 H new ATOM 0 HD2 HIS A 58 91.466 1.094 14.151 1.00 0.00 H new ATOM 0 HE1 HIS A 58 95.072 2.030 16.140 1.00 0.00 H new ATOM 641 N PHE A 59 90.049 -0.567 13.039 1.00 0.00 N ATOM 642 CA PHE A 59 90.132 -0.679 11.593 1.00 0.00 C ATOM 643 C PHE A 59 91.290 0.153 11.070 1.00 0.00 C ATOM 644 O PHE A 59 91.297 1.374 11.211 1.00 0.00 O ATOM 645 CB PHE A 59 88.830 -0.189 10.960 1.00 0.00 C ATOM 646 CG PHE A 59 88.962 -0.199 9.455 1.00 0.00 C ATOM 647 CD1 PHE A 59 88.806 -1.395 8.743 1.00 0.00 C ATOM 648 CD2 PHE A 59 89.240 0.990 8.771 1.00 0.00 C ATOM 649 CE1 PHE A 59 88.929 -1.399 7.349 1.00 0.00 C ATOM 650 CE2 PHE A 59 89.363 0.985 7.376 1.00 0.00 C ATOM 651 CZ PHE A 59 89.208 -0.210 6.666 1.00 0.00 C ATOM 0 H PHE A 59 89.520 0.239 13.372 1.00 0.00 H new ATOM 0 HA PHE A 59 90.294 -1.725 11.331 1.00 0.00 H new ATOM 0 HB2 PHE A 59 88.002 -0.828 11.267 1.00 0.00 H new ATOM 0 HB3 PHE A 59 88.601 0.818 11.308 1.00 0.00 H new ATOM 0 HD1 PHE A 59 88.591 -2.313 9.269 1.00 0.00 H new ATOM 0 HD2 PHE A 59 89.360 1.912 9.320 1.00 0.00 H new ATOM 0 HE1 PHE A 59 88.808 -2.321 6.800 1.00 0.00 H new ATOM 0 HE2 PHE A 59 89.577 1.903 6.849 1.00 0.00 H new ATOM 0 HZ PHE A 59 89.304 -0.215 5.590 1.00 0.00 H new ATOM 661 N CYS A 60 92.261 -0.520 10.469 1.00 0.00 N ATOM 662 CA CYS A 60 93.426 0.162 9.922 1.00 0.00 C ATOM 663 C CYS A 60 93.570 -0.138 8.438 1.00 0.00 C ATOM 664 O CYS A 60 93.526 -1.296 8.020 1.00 0.00 O ATOM 665 CB CYS A 60 94.687 -0.277 10.668 1.00 0.00 C ATOM 666 SG CYS A 60 94.549 0.194 12.410 1.00 0.00 S ATOM 0 H CYS A 60 92.266 -1.533 10.348 1.00 0.00 H new ATOM 0 HA CYS A 60 93.291 1.236 10.049 1.00 0.00 H new ATOM 0 HB2 CYS A 60 94.818 -1.356 10.581 1.00 0.00 H new ATOM 0 HB3 CYS A 60 95.567 0.188 10.223 1.00 0.00 H new ATOM 0 HG CYS A 60 95.619 -0.180 13.047 1.00 0.00 H new ATOM 672 N TRP A 61 93.752 0.913 7.647 1.00 0.00 N ATOM 673 CA TRP A 61 93.913 0.757 6.211 1.00 0.00 C ATOM 674 C TRP A 61 95.330 1.130 5.818 1.00 0.00 C ATOM 675 O TRP A 61 95.725 2.298 5.880 1.00 0.00 O ATOM 676 CB TRP A 61 92.917 1.646 5.466 1.00 0.00 C ATOM 677 CG TRP A 61 93.014 1.371 3.999 1.00 0.00 C ATOM 678 CD1 TRP A 61 92.848 0.158 3.421 1.00 0.00 C ATOM 679 CD2 TRP A 61 93.298 2.304 2.918 1.00 0.00 C ATOM 680 NE1 TRP A 61 93.014 0.287 2.053 1.00 0.00 N ATOM 681 CE2 TRP A 61 93.293 1.592 1.695 1.00 0.00 C ATOM 682 CE3 TRP A 61 93.556 3.685 2.881 1.00 0.00 C ATOM 683 CZ2 TRP A 61 93.538 2.231 0.479 1.00 0.00 C ATOM 684 CZ3 TRP A 61 93.803 4.330 1.659 1.00 0.00 C ATOM 685 CH2 TRP A 61 93.793 3.604 0.461 1.00 0.00 C ATOM 0 H TRP A 61 93.791 1.878 7.976 1.00 0.00 H new ATOM 0 HA TRP A 61 93.722 -0.282 5.942 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.904 1.452 5.818 1.00 0.00 H new ATOM 0 HB3 TRP A 61 93.128 2.696 5.666 1.00 0.00 H new ATOM 0 HD1 TRP A 61 92.623 -0.761 3.942 1.00 0.00 H new ATOM 0 HE1 TRP A 61 92.940 -0.486 1.391 1.00 0.00 H new ATOM 0 HE3 TRP A 61 93.564 4.254 3.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 93.530 1.667 -0.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 94.002 5.391 1.642 1.00 0.00 H new ATOM 0 HH2 TRP A 61 93.982 4.106 -0.476 1.00 0.00 H new ATOM 696 N LYS A 62 96.087 0.117 5.427 1.00 0.00 N ATOM 697 CA LYS A 62 97.471 0.308 5.029 1.00 0.00 C ATOM 698 C LYS A 62 97.614 0.265 3.519 1.00 0.00 C ATOM 699 O LYS A 62 96.893 -0.455 2.832 1.00 0.00 O ATOM 700 CB LYS A 62 98.339 -0.783 5.643 1.00 0.00 C ATOM 701 CG LYS A 62 99.089 -0.259 6.864 1.00 0.00 C ATOM 702 CD LYS A 62 99.946 -1.399 7.421 1.00 0.00 C ATOM 703 CE LYS A 62 100.802 -0.900 8.583 1.00 0.00 C ATOM 704 NZ LYS A 62 101.602 -2.032 9.129 1.00 0.00 N ATOM 0 H LYS A 62 95.764 -0.849 5.377 1.00 0.00 H new ATOM 0 HA LYS A 62 97.794 1.287 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 62 97.716 -1.630 5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 62 99.051 -1.147 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 62 99.716 0.590 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 62 98.387 0.094 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 62 99.305 -2.214 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 62 100.586 -1.800 6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 62 101.463 -0.102 8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 62 100.167 -0.479 9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 102.186 -1.694 9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 100.962 -2.779 9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 102.218 -2.414 8.383 1.00 0.00 H new ATOM 718 N ASP A 63 98.560 1.037 3.014 1.00 0.00 N ATOM 719 CA ASP A 63 98.811 1.086 1.586 1.00 0.00 C ATOM 720 C ASP A 63 99.958 0.164 1.216 1.00 0.00 C ATOM 721 O ASP A 63 101.052 0.270 1.756 1.00 0.00 O ATOM 722 CB ASP A 63 99.148 2.512 1.152 1.00 0.00 C ATOM 723 CG ASP A 63 97.887 3.248 0.711 1.00 0.00 C ATOM 724 OD1 ASP A 63 96.804 2.774 1.014 1.00 0.00 O ATOM 725 OD2 ASP A 63 98.023 4.274 0.067 1.00 0.00 O ATOM 0 H ASP A 63 99.166 1.638 3.572 1.00 0.00 H new ATOM 0 HA ASP A 63 97.907 0.758 1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 63 99.619 3.047 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 63 99.868 2.489 0.334 1.00 0.00 H new ATOM 730 N ARG A 64 99.691 -0.742 0.293 1.00 0.00 N ATOM 731 CA ARG A 64 100.708 -1.681 -0.160 1.00 0.00 C ATOM 732 C ARG A 64 101.813 -0.937 -0.907 1.00 0.00 C ATOM 733 O ARG A 64 102.997 -1.237 -0.754 1.00 0.00 O ATOM 734 CB ARG A 64 100.072 -2.718 -1.087 1.00 0.00 C ATOM 735 CG ARG A 64 99.084 -3.574 -0.292 1.00 0.00 C ATOM 736 CD ARG A 64 99.546 -5.030 -0.286 1.00 0.00 C ATOM 737 NE ARG A 64 100.786 -5.159 0.470 1.00 0.00 N ATOM 738 CZ ARG A 64 101.281 -6.353 0.778 1.00 0.00 C ATOM 739 NH1 ARG A 64 102.396 -6.441 1.450 1.00 0.00 N ATOM 740 NH2 ARG A 64 100.650 -7.435 0.412 1.00 0.00 N ATOM 0 H ARG A 64 98.782 -0.850 -0.158 1.00 0.00 H new ATOM 0 HA ARG A 64 101.140 -2.182 0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 64 99.559 -2.220 -1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 64 100.844 -3.349 -1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 64 99.008 -3.203 0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 64 98.090 -3.501 -0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 64 98.775 -5.662 0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 64 99.697 -5.376 -1.309 1.00 0.00 H new ATOM 0 HE ARG A 64 101.282 -4.319 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 64 102.886 -5.594 1.738 1.00 0.00 H new ATOM 0 HH12 ARG A 64 102.777 -7.357 1.687 1.00 0.00 H new ATOM 0 HH21 ARG A 64 99.777 -7.364 -0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 64 101.030 -8.352 0.648 1.00 0.00 H new ATOM 754 N THR A 65 101.409 0.036 -1.722 1.00 0.00 N ATOM 755 CA THR A 65 102.361 0.826 -2.500 1.00 0.00 C ATOM 756 C THR A 65 103.262 1.655 -1.592 1.00 0.00 C ATOM 757 O THR A 65 104.477 1.704 -1.784 1.00 0.00 O ATOM 758 CB THR A 65 101.606 1.756 -3.453 1.00 0.00 C ATOM 759 OG1 THR A 65 100.823 0.980 -4.349 1.00 0.00 O ATOM 760 CG2 THR A 65 102.604 2.602 -4.248 1.00 0.00 C ATOM 0 H THR A 65 100.432 0.295 -1.860 1.00 0.00 H new ATOM 0 HA THR A 65 102.985 0.137 -3.070 1.00 0.00 H new ATOM 0 HB THR A 65 100.956 2.414 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 65 100.338 1.575 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 65 102.063 3.263 -4.925 1.00 0.00 H new ATOM 0 HG22 THR A 65 103.203 3.199 -3.561 1.00 0.00 H new ATOM 0 HG23 THR A 65 103.257 1.948 -4.825 1.00 0.00 H new ATOM 768 N SER A 66 102.660 2.307 -0.603 1.00 0.00 N ATOM 769 CA SER A 66 103.420 3.132 0.328 1.00 0.00 C ATOM 770 C SER A 66 103.944 2.283 1.471 1.00 0.00 C ATOM 771 O SER A 66 104.984 2.579 2.057 1.00 0.00 O ATOM 772 CB SER A 66 102.539 4.252 0.879 1.00 0.00 C ATOM 773 OG SER A 66 102.153 5.114 -0.183 1.00 0.00 O ATOM 0 H SER A 66 101.656 2.281 -0.426 1.00 0.00 H new ATOM 0 HA SER A 66 104.263 3.572 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 66 101.656 3.832 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 66 103.080 4.814 1.640 1.00 0.00 H new ATOM 0 HG SER A 66 101.586 5.832 0.168 1.00 0.00 H new ATOM 779 N GLY A 67 103.208 1.228 1.781 1.00 0.00 N ATOM 780 CA GLY A 67 103.596 0.337 2.860 1.00 0.00 C ATOM 781 C GLY A 67 103.402 1.026 4.202 1.00 0.00 C ATOM 782 O GLY A 67 103.946 0.593 5.218 1.00 0.00 O ATOM 0 H GLY A 67 102.344 0.970 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 67 103.000 -0.575 2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 67 104.639 0.042 2.741 1.00 0.00 H new ATOM 786 N ASN A 68 102.631 2.113 4.191 1.00 0.00 N ATOM 787 CA ASN A 68 102.377 2.875 5.414 1.00 0.00 C ATOM 788 C ASN A 68 100.882 2.973 5.700 1.00 0.00 C ATOM 789 O ASN A 68 100.054 2.715 4.826 1.00 0.00 O ATOM 790 CB ASN A 68 102.964 4.280 5.280 1.00 0.00 C ATOM 791 CG ASN A 68 103.461 4.765 6.639 1.00 0.00 C ATOM 792 OD1 ASN A 68 103.034 4.254 7.674 1.00 0.00 O ATOM 793 ND2 ASN A 68 104.347 5.722 6.699 1.00 0.00 N ATOM 0 H ASN A 68 102.175 2.483 3.357 1.00 0.00 H new ATOM 0 HA ASN A 68 102.854 2.353 6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 68 103.785 4.274 4.563 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.209 4.964 4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 68 104.686 6.047 7.604 1.00 0.00 H new ATOM 0 HD22 ASN A 68 104.700 6.145 5.840 1.00 0.00 H new ATOM 800 N VAL A 69 100.540 3.342 6.936 1.00 0.00 N ATOM 801 CA VAL A 69 99.142 3.463 7.321 1.00 0.00 C ATOM 802 C VAL A 69 98.529 4.726 6.740 1.00 0.00 C ATOM 803 O VAL A 69 99.046 5.827 6.932 1.00 0.00 O ATOM 804 CB VAL A 69 99.010 3.485 8.841 1.00 0.00 C ATOM 805 CG1 VAL A 69 99.466 2.142 9.399 1.00 0.00 C ATOM 806 CG2 VAL A 69 99.877 4.604 9.421 1.00 0.00 C ATOM 0 H VAL A 69 101.207 3.559 7.677 1.00 0.00 H new ATOM 0 HA VAL A 69 98.608 2.599 6.925 1.00 0.00 H new ATOM 0 HB VAL A 69 97.970 3.664 9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 69 99.375 2.149 10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 69 98.844 1.347 8.988 1.00 0.00 H new ATOM 0 HG13 VAL A 69 100.506 1.968 9.123 1.00 0.00 H new ATOM 0 HG21 VAL A 69 99.779 4.615 10.507 1.00 0.00 H new ATOM 0 HG22 VAL A 69 100.919 4.433 9.153 1.00 0.00 H new ATOM 0 HG23 VAL A 69 99.551 5.563 9.018 1.00 0.00 H new ATOM 816 N GLU A 70 97.420 4.557 6.033 1.00 0.00 N ATOM 817 CA GLU A 70 96.739 5.697 5.430 1.00 0.00 C ATOM 818 C GLU A 70 95.625 6.201 6.339 1.00 0.00 C ATOM 819 O GLU A 70 95.427 7.408 6.479 1.00 0.00 O ATOM 820 CB GLU A 70 96.148 5.311 4.074 1.00 0.00 C ATOM 821 CG GLU A 70 97.154 5.612 2.962 1.00 0.00 C ATOM 822 CD GLU A 70 97.293 7.120 2.768 1.00 0.00 C ATOM 823 OE1 GLU A 70 98.155 7.704 3.406 1.00 0.00 O ATOM 824 OE2 GLU A 70 96.532 7.669 1.988 1.00 0.00 O ATOM 0 H GLU A 70 96.976 3.654 5.864 1.00 0.00 H new ATOM 0 HA GLU A 70 97.473 6.491 5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 70 95.892 4.251 4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 70 95.224 5.863 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 70 98.123 5.180 3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 70 96.828 5.147 2.032 1.00 0.00 H new ATOM 831 N ASP A 71 94.895 5.275 6.953 1.00 0.00 N ATOM 832 CA ASP A 71 93.802 5.661 7.840 1.00 0.00 C ATOM 833 C ASP A 71 93.573 4.606 8.918 1.00 0.00 C ATOM 834 O ASP A 71 93.609 3.408 8.646 1.00 0.00 O ATOM 835 CB ASP A 71 92.518 5.853 7.032 1.00 0.00 C ATOM 836 CG ASP A 71 91.464 6.547 7.888 1.00 0.00 C ATOM 837 OD1 ASP A 71 91.773 6.874 9.022 1.00 0.00 O ATOM 838 OD2 ASP A 71 90.363 6.740 7.399 1.00 0.00 O ATOM 0 H ASP A 71 95.036 4.269 6.856 1.00 0.00 H new ATOM 0 HA ASP A 71 94.074 6.599 8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 71 92.724 6.447 6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 71 92.144 4.887 6.692 1.00 0.00 H new ATOM 843 N ASP A 72 93.331 5.061 10.143 1.00 0.00 N ATOM 844 CA ASP A 72 93.089 4.144 11.253 1.00 0.00 C ATOM 845 C ASP A 72 92.174 4.786 12.296 1.00 0.00 C ATOM 846 O ASP A 72 92.392 5.922 12.718 1.00 0.00 O ATOM 847 CB ASP A 72 94.421 3.736 11.886 1.00 0.00 C ATOM 848 CG ASP A 72 95.165 4.969 12.390 1.00 0.00 C ATOM 849 OD1 ASP A 72 94.674 6.065 12.175 1.00 0.00 O ATOM 850 OD2 ASP A 72 96.219 4.800 12.982 1.00 0.00 O ATOM 0 H ASP A 72 93.297 6.050 10.392 1.00 0.00 H new ATOM 0 HA ASP A 72 92.590 3.254 10.871 1.00 0.00 H new ATOM 0 HB2 ASP A 72 94.244 3.047 12.712 1.00 0.00 H new ATOM 0 HB3 ASP A 72 95.032 3.207 11.155 1.00 0.00 H new ATOM 855 N LEU A 73 91.140 4.046 12.704 1.00 0.00 N ATOM 856 CA LEU A 73 90.191 4.541 13.685 1.00 0.00 C ATOM 857 C LEU A 73 89.420 3.378 14.297 1.00 0.00 C ATOM 858 O LEU A 73 89.215 2.347 13.658 1.00 0.00 O ATOM 859 CB LEU A 73 89.215 5.516 13.031 1.00 0.00 C ATOM 860 CG LEU A 73 88.424 4.788 11.946 1.00 0.00 C ATOM 861 CD1 LEU A 73 87.010 4.494 12.453 1.00 0.00 C ATOM 862 CD2 LEU A 73 88.347 5.671 10.698 1.00 0.00 C ATOM 0 H LEU A 73 90.945 3.104 12.366 1.00 0.00 H new ATOM 0 HA LEU A 73 90.740 5.061 14.470 1.00 0.00 H new ATOM 0 HB2 LEU A 73 88.536 5.925 13.779 1.00 0.00 H new ATOM 0 HB3 LEU A 73 89.758 6.357 12.599 1.00 0.00 H new ATOM 0 HG LEU A 73 88.921 3.850 11.700 1.00 0.00 H new ATOM 0 HD11 LEU A 73 86.446 3.975 11.678 1.00 0.00 H new ATOM 0 HD12 LEU A 73 87.066 3.867 13.343 1.00 0.00 H new ATOM 0 HD13 LEU A 73 86.510 5.431 12.699 1.00 0.00 H new ATOM 0 HD21 LEU A 73 87.783 5.155 9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 73 87.849 6.608 10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 73 89.354 5.880 10.337 1.00 0.00 H new ATOM 874 N ILE A 74 88.994 3.551 15.535 1.00 0.00 N ATOM 875 CA ILE A 74 88.245 2.515 16.230 1.00 0.00 C ATOM 876 C ILE A 74 86.773 2.536 15.849 1.00 0.00 C ATOM 877 O ILE A 74 86.151 3.597 15.796 1.00 0.00 O ATOM 878 CB ILE A 74 88.369 2.715 17.726 1.00 0.00 C ATOM 879 CG1 ILE A 74 89.795 2.390 18.165 1.00 0.00 C ATOM 880 CG2 ILE A 74 87.373 1.800 18.445 1.00 0.00 C ATOM 881 CD1 ILE A 74 89.995 2.847 19.612 1.00 0.00 C ATOM 0 H ILE A 74 89.153 4.398 16.081 1.00 0.00 H new ATOM 0 HA ILE A 74 88.662 1.551 15.938 1.00 0.00 H new ATOM 0 HB ILE A 74 88.147 3.751 17.980 1.00 0.00 H new ATOM 0 HG12 ILE A 74 89.978 1.319 18.081 1.00 0.00 H new ATOM 0 HG13 ILE A 74 90.511 2.888 17.512 1.00 0.00 H new ATOM 0 HG21 ILE A 74 87.460 1.942 19.522 1.00 0.00 H new ATOM 0 HG22 ILE A 74 86.359 2.045 18.128 1.00 0.00 H new ATOM 0 HG23 ILE A 74 87.589 0.761 18.197 1.00 0.00 H new ATOM 0 HD11 ILE A 74 91.012 2.617 19.929 1.00 0.00 H new ATOM 0 HD12 ILE A 74 89.828 3.922 19.680 1.00 0.00 H new ATOM 0 HD13 ILE A 74 89.287 2.328 20.259 1.00 0.00 H new ATOM 893 N ILE A 75 86.224 1.354 15.585 1.00 0.00 N ATOM 894 CA ILE A 75 84.821 1.239 15.212 1.00 0.00 C ATOM 895 C ILE A 75 84.056 0.385 16.218 1.00 0.00 C ATOM 896 O ILE A 75 84.424 -0.763 16.489 1.00 0.00 O ATOM 897 CB ILE A 75 84.702 0.620 13.821 1.00 0.00 C ATOM 898 CG1 ILE A 75 85.439 1.503 12.811 1.00 0.00 C ATOM 899 CG2 ILE A 75 83.226 0.526 13.435 1.00 0.00 C ATOM 900 CD1 ILE A 75 85.516 0.790 11.457 1.00 0.00 C ATOM 0 H ILE A 75 86.727 0.468 15.623 1.00 0.00 H new ATOM 0 HA ILE A 75 84.388 2.239 15.207 1.00 0.00 H new ATOM 0 HB ILE A 75 85.142 -0.377 13.823 1.00 0.00 H new ATOM 0 HG12 ILE A 75 84.921 2.456 12.702 1.00 0.00 H new ATOM 0 HG13 ILE A 75 86.443 1.725 13.173 1.00 0.00 H new ATOM 0 HG21 ILE A 75 83.137 0.085 12.442 1.00 0.00 H new ATOM 0 HG22 ILE A 75 82.700 -0.097 14.158 1.00 0.00 H new ATOM 0 HG23 ILE A 75 82.787 1.524 13.429 1.00 0.00 H new ATOM 0 HD11 ILE A 75 86.041 1.423 10.742 1.00 0.00 H new ATOM 0 HD12 ILE A 75 86.053 -0.151 11.572 1.00 0.00 H new ATOM 0 HD13 ILE A 75 84.508 0.591 11.093 1.00 0.00 H new ATOM 912 N PHE A 76 82.982 0.952 16.760 1.00 0.00 N ATOM 913 CA PHE A 76 82.145 0.253 17.726 1.00 0.00 C ATOM 914 C PHE A 76 81.351 -0.850 17.034 1.00 0.00 C ATOM 915 O PHE A 76 81.054 -0.745 15.846 1.00 0.00 O ATOM 916 CB PHE A 76 81.188 1.254 18.371 1.00 0.00 C ATOM 917 CG PHE A 76 81.968 2.144 19.303 1.00 0.00 C ATOM 918 CD1 PHE A 76 82.781 3.153 18.780 1.00 0.00 C ATOM 919 CD2 PHE A 76 81.883 1.958 20.688 1.00 0.00 C ATOM 920 CE1 PHE A 76 83.509 3.978 19.639 1.00 0.00 C ATOM 921 CE2 PHE A 76 82.613 2.786 21.551 1.00 0.00 C ATOM 922 CZ PHE A 76 83.427 3.796 21.026 1.00 0.00 C ATOM 0 H PHE A 76 82.671 1.899 16.544 1.00 0.00 H new ATOM 0 HA PHE A 76 82.775 -0.200 18.491 1.00 0.00 H new ATOM 0 HB2 PHE A 76 80.694 1.851 17.604 1.00 0.00 H new ATOM 0 HB3 PHE A 76 80.406 0.728 18.918 1.00 0.00 H new ATOM 0 HD1 PHE A 76 82.846 3.295 17.711 1.00 0.00 H new ATOM 0 HD2 PHE A 76 81.255 1.177 21.091 1.00 0.00 H new ATOM 0 HE1 PHE A 76 84.137 4.758 19.234 1.00 0.00 H new ATOM 0 HE2 PHE A 76 82.548 2.645 22.620 1.00 0.00 H new ATOM 0 HZ PHE A 76 83.992 4.435 21.689 1.00 0.00 H new ATOM 932 N PRO A 77 80.988 -1.893 17.735 1.00 0.00 N ATOM 933 CA PRO A 77 80.205 -3.003 17.128 1.00 0.00 C ATOM 934 C PRO A 77 78.847 -2.514 16.643 1.00 0.00 C ATOM 935 O PRO A 77 78.201 -1.694 17.296 1.00 0.00 O ATOM 936 CB PRO A 77 80.052 -4.019 18.267 1.00 0.00 C ATOM 937 CG PRO A 77 80.293 -3.249 19.521 1.00 0.00 C ATOM 938 CD PRO A 77 81.276 -2.145 19.156 1.00 0.00 C ATOM 0 HA PRO A 77 80.695 -3.429 16.252 1.00 0.00 H new ATOM 0 HB2 PRO A 77 79.057 -4.464 18.265 1.00 0.00 H new ATOM 0 HB3 PRO A 77 80.767 -4.835 18.164 1.00 0.00 H new ATOM 0 HG2 PRO A 77 79.363 -2.831 19.907 1.00 0.00 H new ATOM 0 HG3 PRO A 77 80.701 -3.892 20.301 1.00 0.00 H new ATOM 0 HD2 PRO A 77 81.122 -1.252 19.762 1.00 0.00 H new ATOM 0 HD3 PRO A 77 82.309 -2.459 19.308 1.00 0.00 H new ATOM 946 N ASP A 78 78.427 -3.016 15.493 1.00 0.00 N ATOM 947 CA ASP A 78 77.149 -2.622 14.924 1.00 0.00 C ATOM 948 C ASP A 78 77.237 -1.235 14.285 1.00 0.00 C ATOM 949 O ASP A 78 76.344 -0.844 13.533 1.00 0.00 O ATOM 950 CB ASP A 78 76.073 -2.621 16.014 1.00 0.00 C ATOM 951 CG ASP A 78 74.724 -3.027 15.426 1.00 0.00 C ATOM 952 OD1 ASP A 78 74.576 -2.953 14.218 1.00 0.00 O ATOM 953 OD2 ASP A 78 73.858 -3.409 16.195 1.00 0.00 O ATOM 0 H ASP A 78 78.949 -3.694 14.938 1.00 0.00 H new ATOM 0 HA ASP A 78 76.884 -3.341 14.149 1.00 0.00 H new ATOM 0 HB2 ASP A 78 76.352 -3.310 16.811 1.00 0.00 H new ATOM 0 HB3 ASP A 78 75.999 -1.630 16.461 1.00 0.00 H new ATOM 958 N ASP A 79 78.309 -0.487 14.570 1.00 0.00 N ATOM 959 CA ASP A 79 78.454 0.842 13.987 1.00 0.00 C ATOM 960 C ASP A 79 79.142 0.749 12.628 1.00 0.00 C ATOM 961 O ASP A 79 80.332 1.038 12.504 1.00 0.00 O ATOM 962 CB ASP A 79 79.273 1.738 14.920 1.00 0.00 C ATOM 963 CG ASP A 79 79.280 3.169 14.393 1.00 0.00 C ATOM 964 OD1 ASP A 79 78.751 3.385 13.316 1.00 0.00 O ATOM 965 OD2 ASP A 79 79.816 4.028 15.076 1.00 0.00 O ATOM 0 H ASP A 79 79.070 -0.774 15.186 1.00 0.00 H new ATOM 0 HA ASP A 79 77.462 1.275 13.854 1.00 0.00 H new ATOM 0 HB2 ASP A 79 78.851 1.713 15.925 1.00 0.00 H new ATOM 0 HB3 ASP A 79 80.294 1.364 14.994 1.00 0.00 H new ATOM 970 N CYS A 80 78.387 0.339 11.611 1.00 0.00 N ATOM 971 CA CYS A 80 78.935 0.208 10.266 1.00 0.00 C ATOM 972 C CYS A 80 77.929 -0.478 9.347 1.00 0.00 C ATOM 973 O CYS A 80 77.834 -1.706 9.322 1.00 0.00 O ATOM 974 CB CYS A 80 80.230 -0.605 10.303 1.00 0.00 C ATOM 975 SG CYS A 80 81.648 0.506 10.130 1.00 0.00 S ATOM 0 H CYS A 80 77.400 0.094 11.693 1.00 0.00 H new ATOM 0 HA CYS A 80 79.146 1.206 9.881 1.00 0.00 H new ATOM 0 HB2 CYS A 80 80.299 -1.156 11.241 1.00 0.00 H new ATOM 0 HB3 CYS A 80 80.232 -1.342 9.500 1.00 0.00 H new ATOM 0 HG CYS A 80 81.723 1.279 11.172 1.00 0.00 H new ATOM 981 N GLU A 81 77.181 0.319 8.593 1.00 0.00 N ATOM 982 CA GLU A 81 76.187 -0.225 7.677 1.00 0.00 C ATOM 983 C GLU A 81 76.860 -0.652 6.378 1.00 0.00 C ATOM 984 O GLU A 81 77.643 0.107 5.806 1.00 0.00 O ATOM 985 CB GLU A 81 75.123 0.834 7.375 1.00 0.00 C ATOM 986 CG GLU A 81 73.729 0.210 7.442 1.00 0.00 C ATOM 987 CD GLU A 81 73.654 -1.024 6.549 1.00 0.00 C ATOM 988 OE1 GLU A 81 74.266 -1.006 5.495 1.00 0.00 O ATOM 989 OE2 GLU A 81 72.985 -1.969 6.936 1.00 0.00 O ATOM 0 H GLU A 81 77.243 1.337 8.598 1.00 0.00 H new ATOM 0 HA GLU A 81 75.714 -1.090 8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 81 75.199 1.652 8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 81 75.293 1.260 6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 81 73.495 -0.063 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 81 72.982 0.939 7.129 1.00 0.00 H new ATOM 996 N PHE A 82 76.554 -1.863 5.915 1.00 0.00 N ATOM 997 CA PHE A 82 77.147 -2.367 4.678 1.00 0.00 C ATOM 998 C PHE A 82 76.075 -2.576 3.616 1.00 0.00 C ATOM 999 O PHE A 82 75.015 -3.138 3.889 1.00 0.00 O ATOM 1000 CB PHE A 82 77.860 -3.696 4.942 1.00 0.00 C ATOM 1001 CG PHE A 82 76.839 -4.783 5.181 1.00 0.00 C ATOM 1002 CD1 PHE A 82 76.419 -5.595 4.119 1.00 0.00 C ATOM 1003 CD2 PHE A 82 76.309 -4.978 6.462 1.00 0.00 C ATOM 1004 CE1 PHE A 82 75.472 -6.603 4.339 1.00 0.00 C ATOM 1005 CE2 PHE A 82 75.362 -5.986 6.681 1.00 0.00 C ATOM 1006 CZ PHE A 82 74.944 -6.798 5.621 1.00 0.00 C ATOM 0 H PHE A 82 75.907 -2.506 6.371 1.00 0.00 H new ATOM 0 HA PHE A 82 77.865 -1.630 4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 82 78.491 -3.957 4.092 1.00 0.00 H new ATOM 0 HB3 PHE A 82 78.515 -3.602 5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 82 76.826 -5.443 3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 82 76.630 -4.351 7.281 1.00 0.00 H new ATOM 0 HE1 PHE A 82 75.149 -7.229 3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 82 74.954 -6.137 7.669 1.00 0.00 H new ATOM 0 HZ PHE A 82 74.214 -7.575 5.792 1.00 0.00 H new ATOM 1016 N LYS A 83 76.366 -2.122 2.403 1.00 0.00 N ATOM 1017 CA LYS A 83 75.427 -2.265 1.299 1.00 0.00 C ATOM 1018 C LYS A 83 76.146 -2.544 -0.015 1.00 0.00 C ATOM 1019 O LYS A 83 77.367 -2.418 -0.114 1.00 0.00 O ATOM 1020 CB LYS A 83 74.553 -1.011 1.170 1.00 0.00 C ATOM 1021 CG LYS A 83 73.424 -1.063 2.196 1.00 0.00 C ATOM 1022 CD LYS A 83 72.589 0.216 2.100 1.00 0.00 C ATOM 1023 CE LYS A 83 71.386 0.114 3.039 1.00 0.00 C ATOM 1024 NZ LYS A 83 70.599 1.377 2.981 1.00 0.00 N ATOM 0 H LYS A 83 77.239 -1.655 2.160 1.00 0.00 H new ATOM 0 HA LYS A 83 74.788 -3.120 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 83 75.157 -0.117 1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 83 74.140 -0.946 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 83 72.795 -1.935 2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 83 73.835 -1.167 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 83 73.198 1.081 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 83 72.251 0.366 1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 83 70.759 -0.731 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 83 71.723 -0.070 4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 69.781 1.306 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 71.199 2.174 3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 70.266 1.534 2.008 1.00 0.00 H new ATOM 1038 N ARG A 84 75.370 -2.939 -1.017 1.00 0.00 N ATOM 1039 CA ARG A 84 75.915 -3.252 -2.330 1.00 0.00 C ATOM 1040 C ARG A 84 75.389 -2.251 -3.353 1.00 0.00 C ATOM 1041 O ARG A 84 74.249 -1.796 -3.246 1.00 0.00 O ATOM 1042 CB ARG A 84 75.487 -4.664 -2.732 1.00 0.00 C ATOM 1043 CG ARG A 84 76.004 -5.668 -1.699 1.00 0.00 C ATOM 1044 CD ARG A 84 75.316 -7.017 -1.910 1.00 0.00 C ATOM 1045 NE ARG A 84 75.709 -7.950 -0.860 1.00 0.00 N ATOM 1046 CZ ARG A 84 74.915 -8.956 -0.501 1.00 0.00 C ATOM 1047 NH1 ARG A 84 75.285 -9.771 0.449 1.00 0.00 N ATOM 1048 NH2 ARG A 84 73.765 -9.125 -1.095 1.00 0.00 N ATOM 0 H ARG A 84 74.359 -3.050 -0.944 1.00 0.00 H new ATOM 0 HA ARG A 84 77.003 -3.196 -2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 84 74.401 -4.721 -2.798 1.00 0.00 H new ATOM 0 HB3 ARG A 84 75.880 -4.907 -3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 84 77.084 -5.780 -1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 84 75.809 -5.302 -0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 84 74.234 -6.887 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 84 75.584 -7.422 -2.886 1.00 0.00 H new ATOM 0 HE ARG A 84 76.608 -7.829 -0.393 1.00 0.00 H new ATOM 0 HH11 ARG A 84 76.182 -9.637 0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 84 74.677 -10.542 0.725 1.00 0.00 H new ATOM 0 HH21 ARG A 84 73.474 -8.486 -1.835 1.00 0.00 H new ATOM 0 HH22 ARG A 84 73.157 -9.896 -0.819 1.00 0.00 H new ATOM 1062 N VAL A 85 76.218 -1.909 -4.337 1.00 0.00 N ATOM 1063 CA VAL A 85 75.809 -0.956 -5.367 1.00 0.00 C ATOM 1064 C VAL A 85 75.782 -1.650 -6.732 1.00 0.00 C ATOM 1065 O VAL A 85 76.796 -1.682 -7.429 1.00 0.00 O ATOM 1066 CB VAL A 85 76.812 0.205 -5.417 1.00 0.00 C ATOM 1067 CG1 VAL A 85 76.209 1.384 -6.179 1.00 0.00 C ATOM 1068 CG2 VAL A 85 77.170 0.650 -3.998 1.00 0.00 C ATOM 0 H VAL A 85 77.165 -2.272 -4.443 1.00 0.00 H new ATOM 0 HA VAL A 85 74.815 -0.577 -5.129 1.00 0.00 H new ATOM 0 HB VAL A 85 77.713 -0.134 -5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 85 76.927 2.203 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 85 75.968 1.075 -7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 85 75.301 1.716 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 85 77.882 1.474 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 85 76.268 0.978 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 85 77.615 -0.185 -3.456 1.00 0.00 H new ATOM 1078 N PRO A 86 74.664 -2.208 -7.135 1.00 0.00 N ATOM 1079 CA PRO A 86 74.559 -2.904 -8.453 1.00 0.00 C ATOM 1080 C PRO A 86 74.838 -1.971 -9.632 1.00 0.00 C ATOM 1081 O PRO A 86 74.020 -1.113 -9.964 1.00 0.00 O ATOM 1082 CB PRO A 86 73.107 -3.400 -8.497 1.00 0.00 C ATOM 1083 CG PRO A 86 72.634 -3.384 -7.083 1.00 0.00 C ATOM 1084 CD PRO A 86 73.396 -2.261 -6.391 1.00 0.00 C ATOM 0 HA PRO A 86 75.295 -3.703 -8.541 1.00 0.00 H new ATOM 0 HB2 PRO A 86 72.491 -2.755 -9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 86 73.048 -4.403 -8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 86 71.559 -3.212 -7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 86 72.826 -4.341 -6.598 1.00 0.00 H new ATOM 0 HD2 PRO A 86 72.857 -1.315 -6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 86 73.557 -2.475 -5.335 1.00 0.00 H new ATOM 1092 N GLN A 87 75.990 -2.164 -10.270 1.00 0.00 N ATOM 1093 CA GLN A 87 76.370 -1.357 -11.427 1.00 0.00 C ATOM 1094 C GLN A 87 76.413 -2.211 -12.685 1.00 0.00 C ATOM 1095 O GLN A 87 76.248 -1.707 -13.795 1.00 0.00 O ATOM 1096 CB GLN A 87 77.746 -0.726 -11.203 1.00 0.00 C ATOM 1097 CG GLN A 87 77.674 0.274 -10.049 1.00 0.00 C ATOM 1098 CD GLN A 87 76.787 1.453 -10.434 1.00 0.00 C ATOM 1099 OE1 GLN A 87 77.097 2.185 -11.374 1.00 0.00 O ATOM 1100 NE2 GLN A 87 75.681 1.663 -9.776 1.00 0.00 N ATOM 0 H GLN A 87 76.676 -2.871 -10.006 1.00 0.00 H new ATOM 0 HA GLN A 87 75.624 -0.572 -11.551 1.00 0.00 H new ATOM 0 HB2 GLN A 87 78.480 -1.501 -10.980 1.00 0.00 H new ATOM 0 HB3 GLN A 87 78.079 -0.224 -12.112 1.00 0.00 H new ATOM 0 HG2 GLN A 87 77.278 -0.214 -9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 87 78.675 0.627 -9.800 1.00 0.00 H new ATOM 0 HE21 GLN A 87 75.427 1.055 -8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 87 75.070 2.436 -10.040 1.00 0.00 H new ATOM 1109 N CYS A 88 76.649 -3.505 -12.505 1.00 0.00 N ATOM 1110 CA CYS A 88 76.730 -4.417 -13.636 1.00 0.00 C ATOM 1111 C CYS A 88 76.267 -5.821 -13.239 1.00 0.00 C ATOM 1112 O CYS A 88 76.372 -6.206 -12.074 1.00 0.00 O ATOM 1113 CB CYS A 88 78.177 -4.466 -14.141 1.00 0.00 C ATOM 1114 SG CYS A 88 79.309 -4.451 -12.730 1.00 0.00 S ATOM 0 H CYS A 88 76.786 -3.942 -11.594 1.00 0.00 H new ATOM 0 HA CYS A 88 76.074 -4.056 -14.428 1.00 0.00 H new ATOM 0 HB2 CYS A 88 78.335 -5.364 -14.738 1.00 0.00 H new ATOM 0 HB3 CYS A 88 78.376 -3.613 -14.790 1.00 0.00 H new ATOM 0 HG CYS A 88 79.841 -5.628 -12.588 1.00 0.00 H new ATOM 1120 N PRO A 89 75.767 -6.592 -14.175 1.00 0.00 N ATOM 1121 CA PRO A 89 75.292 -7.981 -13.899 1.00 0.00 C ATOM 1122 C PRO A 89 76.425 -8.892 -13.441 1.00 0.00 C ATOM 1123 O PRO A 89 76.189 -9.905 -12.782 1.00 0.00 O ATOM 1124 CB PRO A 89 74.716 -8.448 -15.242 1.00 0.00 C ATOM 1125 CG PRO A 89 75.356 -7.577 -16.269 1.00 0.00 C ATOM 1126 CD PRO A 89 75.591 -6.233 -15.594 1.00 0.00 C ATOM 0 HA PRO A 89 74.562 -8.011 -13.090 1.00 0.00 H new ATOM 0 HB2 PRO A 89 74.941 -9.499 -15.422 1.00 0.00 H new ATOM 0 HB3 PRO A 89 73.631 -8.347 -15.261 1.00 0.00 H new ATOM 0 HG2 PRO A 89 76.295 -8.009 -16.616 1.00 0.00 H new ATOM 0 HG3 PRO A 89 74.713 -7.468 -17.143 1.00 0.00 H new ATOM 0 HD2 PRO A 89 76.472 -5.731 -15.994 1.00 0.00 H new ATOM 0 HD3 PRO A 89 74.747 -5.558 -15.736 1.00 0.00 H new ATOM 1134 N SER A 90 77.655 -8.519 -13.790 1.00 0.00 N ATOM 1135 CA SER A 90 78.824 -9.304 -13.406 1.00 0.00 C ATOM 1136 C SER A 90 79.709 -8.510 -12.451 1.00 0.00 C ATOM 1137 O SER A 90 80.318 -7.513 -12.837 1.00 0.00 O ATOM 1138 CB SER A 90 79.627 -9.680 -14.649 1.00 0.00 C ATOM 1139 OG SER A 90 80.833 -10.323 -14.254 1.00 0.00 O ATOM 0 H SER A 90 77.866 -7.683 -14.335 1.00 0.00 H new ATOM 0 HA SER A 90 78.484 -10.209 -12.903 1.00 0.00 H new ATOM 0 HB2 SER A 90 79.041 -10.341 -15.288 1.00 0.00 H new ATOM 0 HB3 SER A 90 79.852 -8.788 -15.234 1.00 0.00 H new ATOM 0 HG SER A 90 81.350 -10.567 -15.050 1.00 0.00 H new ATOM 1145 N GLY A 91 79.781 -8.967 -11.206 1.00 0.00 N ATOM 1146 CA GLY A 91 80.601 -8.298 -10.203 1.00 0.00 C ATOM 1147 C GLY A 91 79.841 -7.150 -9.545 1.00 0.00 C ATOM 1148 O GLY A 91 78.819 -6.693 -10.056 1.00 0.00 O ATOM 0 H GLY A 91 79.285 -9.792 -10.869 1.00 0.00 H new ATOM 0 HA2 GLY A 91 80.909 -9.016 -9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 91 81.510 -7.916 -10.668 1.00 0.00 H new ATOM 1152 N ARG A 92 80.352 -6.689 -8.408 1.00 0.00 N ATOM 1153 CA ARG A 92 79.722 -5.592 -7.681 1.00 0.00 C ATOM 1154 C ARG A 92 80.683 -5.011 -6.646 1.00 0.00 C ATOM 1155 O ARG A 92 81.723 -5.604 -6.356 1.00 0.00 O ATOM 1156 CB ARG A 92 78.445 -6.085 -6.998 1.00 0.00 C ATOM 1157 CG ARG A 92 78.791 -7.163 -5.970 1.00 0.00 C ATOM 1158 CD ARG A 92 77.501 -7.819 -5.473 1.00 0.00 C ATOM 1159 NE ARG A 92 77.806 -8.872 -4.514 1.00 0.00 N ATOM 1160 CZ ARG A 92 76.865 -9.716 -4.100 1.00 0.00 C ATOM 1161 NH1 ARG A 92 77.159 -10.650 -3.238 1.00 0.00 N ATOM 1162 NH2 ARG A 92 75.648 -9.613 -4.560 1.00 0.00 N ATOM 0 H ARG A 92 81.197 -7.056 -7.971 1.00 0.00 H new ATOM 0 HA ARG A 92 79.465 -4.805 -8.391 1.00 0.00 H new ATOM 0 HB2 ARG A 92 77.938 -5.253 -6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 92 77.756 -6.486 -7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 92 79.445 -7.912 -6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 92 79.335 -6.723 -5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 92 76.860 -7.070 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 92 76.948 -8.234 -6.316 1.00 0.00 H new ATOM 0 HE ARG A 92 78.756 -8.964 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 92 78.111 -10.733 -2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 92 76.437 -11.297 -2.921 1.00 0.00 H new ATOM 0 HH21 ARG A 92 75.419 -8.885 -5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 92 74.926 -10.260 -4.243 1.00 0.00 H new ATOM 1176 N VAL A 93 80.329 -3.851 -6.098 1.00 0.00 N ATOM 1177 CA VAL A 93 81.169 -3.195 -5.097 1.00 0.00 C ATOM 1178 C VAL A 93 80.416 -3.046 -3.782 1.00 0.00 C ATOM 1179 O VAL A 93 79.185 -3.020 -3.755 1.00 0.00 O ATOM 1180 CB VAL A 93 81.597 -1.813 -5.593 1.00 0.00 C ATOM 1181 CG1 VAL A 93 82.460 -1.961 -6.845 1.00 0.00 C ATOM 1182 CG2 VAL A 93 80.349 -0.992 -5.926 1.00 0.00 C ATOM 0 H VAL A 93 79.472 -3.348 -6.328 1.00 0.00 H new ATOM 0 HA VAL A 93 82.052 -3.813 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 93 82.174 -1.308 -4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 93 82.764 -0.975 -7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 93 83.346 -2.551 -6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 93 81.887 -2.463 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 93 80.647 -0.005 -6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 93 79.776 -1.499 -6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 93 79.734 -0.886 -5.032 1.00 0.00 H new ATOM 1192 N TYR A 94 81.169 -2.947 -2.692 1.00 0.00 N ATOM 1193 CA TYR A 94 80.574 -2.806 -1.370 1.00 0.00 C ATOM 1194 C TYR A 94 80.732 -1.377 -0.869 1.00 0.00 C ATOM 1195 O TYR A 94 81.755 -0.729 -1.121 1.00 0.00 O ATOM 1196 CB TYR A 94 81.251 -3.771 -0.395 1.00 0.00 C ATOM 1197 CG TYR A 94 80.955 -5.193 -0.809 1.00 0.00 C ATOM 1198 CD1 TYR A 94 81.794 -5.844 -1.723 1.00 0.00 C ATOM 1199 CD2 TYR A 94 79.846 -5.863 -0.280 1.00 0.00 C ATOM 1200 CE1 TYR A 94 81.523 -7.162 -2.107 1.00 0.00 C ATOM 1201 CE2 TYR A 94 79.575 -7.181 -0.663 1.00 0.00 C ATOM 1202 CZ TYR A 94 80.413 -7.830 -1.578 1.00 0.00 C ATOM 1203 OH TYR A 94 80.144 -9.129 -1.957 1.00 0.00 O ATOM 0 H TYR A 94 82.189 -2.962 -2.698 1.00 0.00 H new ATOM 0 HA TYR A 94 79.512 -3.041 -1.435 1.00 0.00 H new ATOM 0 HB2 TYR A 94 82.327 -3.600 -0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 94 80.891 -3.593 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 94 82.650 -5.328 -2.131 1.00 0.00 H new ATOM 0 HD2 TYR A 94 79.199 -5.362 0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 94 82.170 -7.663 -2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 94 78.720 -7.698 -0.253 1.00 0.00 H new ATOM 0 HH TYR A 94 79.339 -9.444 -1.496 1.00 0.00 H new ATOM 1213 N VAL A 95 79.711 -0.888 -0.167 1.00 0.00 N ATOM 1214 CA VAL A 95 79.739 0.471 0.360 1.00 0.00 C ATOM 1215 C VAL A 95 79.529 0.439 1.872 1.00 0.00 C ATOM 1216 O VAL A 95 78.604 -0.208 2.362 1.00 0.00 O ATOM 1217 CB VAL A 95 78.629 1.295 -0.305 1.00 0.00 C ATOM 1218 CG1 VAL A 95 77.278 0.895 0.280 1.00 0.00 C ATOM 1219 CG2 VAL A 95 78.864 2.787 -0.073 1.00 0.00 C ATOM 0 H VAL A 95 78.861 -1.410 0.048 1.00 0.00 H new ATOM 0 HA VAL A 95 80.705 0.928 0.146 1.00 0.00 H new ATOM 0 HB VAL A 95 78.638 1.099 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 95 76.489 1.480 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 95 77.102 -0.165 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 95 77.276 1.083 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 95 78.069 3.359 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 95 78.867 2.993 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 95 79.825 3.075 -0.500 1.00 0.00 H new ATOM 1229 N LEU A 96 80.398 1.132 2.607 1.00 0.00 N ATOM 1230 CA LEU A 96 80.296 1.165 4.064 1.00 0.00 C ATOM 1231 C LEU A 96 79.873 2.544 4.528 1.00 0.00 C ATOM 1232 O LEU A 96 80.562 3.521 4.261 1.00 0.00 O ATOM 1233 CB LEU A 96 81.648 0.827 4.695 1.00 0.00 C ATOM 1234 CG LEU A 96 81.614 -0.576 5.302 1.00 0.00 C ATOM 1235 CD1 LEU A 96 80.621 -0.626 6.468 1.00 0.00 C ATOM 1236 CD2 LEU A 96 81.201 -1.587 4.231 1.00 0.00 C ATOM 0 H LEU A 96 81.173 1.673 2.222 1.00 0.00 H new ATOM 0 HA LEU A 96 79.552 0.430 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 96 82.434 0.886 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 96 81.890 1.558 5.466 1.00 0.00 H new ATOM 0 HG LEU A 96 82.608 -0.824 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 96 80.607 -1.631 6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 96 80.924 0.086 7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 96 79.624 -0.370 6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 96 81.177 -2.587 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 96 80.211 -1.332 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 96 81.920 -1.564 3.412 1.00 0.00 H new ATOM 1248 N LYS A 97 78.751 2.613 5.232 1.00 0.00 N ATOM 1249 CA LYS A 97 78.255 3.887 5.730 1.00 0.00 C ATOM 1250 C LYS A 97 78.395 3.947 7.242 1.00 0.00 C ATOM 1251 O LYS A 97 77.949 3.044 7.952 1.00 0.00 O ATOM 1252 CB LYS A 97 76.790 4.061 5.331 1.00 0.00 C ATOM 1253 CG LYS A 97 76.290 5.434 5.783 1.00 0.00 C ATOM 1254 CD LYS A 97 74.843 5.610 5.329 1.00 0.00 C ATOM 1255 CE LYS A 97 74.328 6.981 5.769 1.00 0.00 C ATOM 1256 NZ LYS A 97 72.923 7.152 5.304 1.00 0.00 N ATOM 0 H LYS A 97 78.172 1.808 5.469 1.00 0.00 H new ATOM 0 HA LYS A 97 78.842 4.694 5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 97 76.684 3.963 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 97 76.184 3.276 5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 97 76.358 5.521 6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 97 76.915 6.220 5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 97 74.778 5.517 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 97 74.220 4.823 5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 97 74.377 7.070 6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 97 74.958 7.769 5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 72.570 8.084 5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 72.890 7.085 4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 72.327 6.407 5.718 1.00 0.00 H new ATOM 1270 N PHE A 98 79.014 5.013 7.736 1.00 0.00 N ATOM 1271 CA PHE A 98 79.196 5.161 9.171 1.00 0.00 C ATOM 1272 C PHE A 98 77.981 5.843 9.782 1.00 0.00 C ATOM 1273 O PHE A 98 77.637 6.970 9.426 1.00 0.00 O ATOM 1274 CB PHE A 98 80.459 5.975 9.453 1.00 0.00 C ATOM 1275 CG PHE A 98 81.673 5.142 9.112 1.00 0.00 C ATOM 1276 CD1 PHE A 98 82.088 5.020 7.780 1.00 0.00 C ATOM 1277 CD2 PHE A 98 82.388 4.497 10.129 1.00 0.00 C ATOM 1278 CE1 PHE A 98 83.216 4.253 7.465 1.00 0.00 C ATOM 1279 CE2 PHE A 98 83.516 3.729 9.815 1.00 0.00 C ATOM 1280 CZ PHE A 98 83.931 3.608 8.482 1.00 0.00 C ATOM 0 H PHE A 98 79.392 5.775 7.173 1.00 0.00 H new ATOM 0 HA PHE A 98 79.306 4.174 9.621 1.00 0.00 H new ATOM 0 HB2 PHE A 98 80.455 6.892 8.863 1.00 0.00 H new ATOM 0 HB3 PHE A 98 80.489 6.271 10.502 1.00 0.00 H new ATOM 0 HD1 PHE A 98 81.538 5.518 6.995 1.00 0.00 H new ATOM 0 HD2 PHE A 98 82.069 4.592 11.156 1.00 0.00 H new ATOM 0 HE1 PHE A 98 83.535 4.159 6.437 1.00 0.00 H new ATOM 0 HE2 PHE A 98 84.066 3.230 10.600 1.00 0.00 H new ATOM 0 HZ PHE A 98 84.802 3.018 8.239 1.00 0.00 H new ATOM 1290 N LYS A 99 77.329 5.138 10.696 1.00 0.00 N ATOM 1291 CA LYS A 99 76.141 5.660 11.352 1.00 0.00 C ATOM 1292 C LYS A 99 76.498 6.880 12.192 1.00 0.00 C ATOM 1293 O LYS A 99 75.718 7.826 12.299 1.00 0.00 O ATOM 1294 CB LYS A 99 75.518 4.580 12.238 1.00 0.00 C ATOM 1295 CG LYS A 99 75.070 3.404 11.362 1.00 0.00 C ATOM 1296 CD LYS A 99 74.112 2.506 12.145 1.00 0.00 C ATOM 1297 CE LYS A 99 72.672 2.879 11.790 1.00 0.00 C ATOM 1298 NZ LYS A 99 72.398 2.493 10.375 1.00 0.00 N ATOM 0 H LYS A 99 77.603 4.204 10.999 1.00 0.00 H new ATOM 0 HA LYS A 99 75.419 5.956 10.591 1.00 0.00 H new ATOM 0 HB2 LYS A 99 76.240 4.241 12.981 1.00 0.00 H new ATOM 0 HB3 LYS A 99 74.667 4.987 12.784 1.00 0.00 H new ATOM 0 HG2 LYS A 99 74.580 3.776 10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 99 75.938 2.829 11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 99 74.299 1.459 11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.278 2.623 13.216 1.00 0.00 H new ATOM 0 HE2 LYS A 99 71.977 2.371 12.459 1.00 0.00 H new ATOM 0 HE3 LYS A 99 72.518 3.950 11.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 72.090 3.330 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.264 2.108 9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 71.649 1.772 10.351 1.00 0.00 H new ATOM 1312 N ALA A 100 77.686 6.847 12.789 1.00 0.00 N ATOM 1313 CA ALA A 100 78.143 7.953 13.620 1.00 0.00 C ATOM 1314 C ALA A 100 78.314 9.209 12.775 1.00 0.00 C ATOM 1315 O ALA A 100 78.151 10.329 13.262 1.00 0.00 O ATOM 1316 CB ALA A 100 79.479 7.593 14.275 1.00 0.00 C ATOM 0 H ALA A 100 78.344 6.072 12.713 1.00 0.00 H new ATOM 0 HA ALA A 100 77.398 8.141 14.393 1.00 0.00 H new ATOM 0 HB1 ALA A 100 79.816 8.424 14.895 1.00 0.00 H new ATOM 0 HB2 ALA A 100 79.353 6.705 14.895 1.00 0.00 H new ATOM 0 HB3 ALA A 100 80.221 7.393 13.502 1.00 0.00 H new ATOM 1322 N GLY A 101 78.630 9.006 11.501 1.00 0.00 N ATOM 1323 CA GLY A 101 78.812 10.112 10.570 1.00 0.00 C ATOM 1324 C GLY A 101 77.902 9.934 9.363 1.00 0.00 C ATOM 1325 O GLY A 101 76.809 9.378 9.477 1.00 0.00 O ATOM 0 H GLY A 101 78.766 8.083 11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 101 78.590 11.056 11.067 1.00 0.00 H new ATOM 0 HA3 GLY A 101 79.852 10.159 10.247 1.00 0.00 H new ATOM 1329 N SER A 102 78.355 10.401 8.207 1.00 0.00 N ATOM 1330 CA SER A 102 77.567 10.270 6.992 1.00 0.00 C ATOM 1331 C SER A 102 78.461 9.975 5.796 1.00 0.00 C ATOM 1332 O SER A 102 78.019 10.048 4.648 1.00 0.00 O ATOM 1333 CB SER A 102 76.777 11.549 6.734 1.00 0.00 C ATOM 1334 OG SER A 102 77.675 12.647 6.633 1.00 0.00 O ATOM 0 H SER A 102 79.254 10.868 8.087 1.00 0.00 H new ATOM 0 HA SER A 102 76.875 9.439 7.127 1.00 0.00 H new ATOM 0 HB2 SER A 102 76.198 11.453 5.815 1.00 0.00 H new ATOM 0 HB3 SER A 102 76.066 11.720 7.542 1.00 0.00 H new ATOM 0 HG SER A 102 77.169 13.469 6.465 1.00 0.00 H new ATOM 1340 N LYS A 103 79.720 9.647 6.062 1.00 0.00 N ATOM 1341 CA LYS A 103 80.649 9.353 4.979 1.00 0.00 C ATOM 1342 C LYS A 103 80.486 7.918 4.507 1.00 0.00 C ATOM 1343 O LYS A 103 80.051 7.041 5.265 1.00 0.00 O ATOM 1344 CB LYS A 103 82.097 9.567 5.422 1.00 0.00 C ATOM 1345 CG LYS A 103 82.368 8.778 6.709 1.00 0.00 C ATOM 1346 CD LYS A 103 83.620 7.906 6.533 1.00 0.00 C ATOM 1347 CE LYS A 103 84.125 7.455 7.904 1.00 0.00 C ATOM 1348 NZ LYS A 103 85.007 6.265 7.736 1.00 0.00 N ATOM 0 H LYS A 103 80.115 9.579 7.000 1.00 0.00 H new ATOM 0 HA LYS A 103 80.420 10.036 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 103 82.779 9.244 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 103 82.283 10.628 5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 103 82.507 9.464 7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 103 81.509 8.152 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 103 83.388 7.038 5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 103 84.397 8.467 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 103 84.674 8.264 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 103 83.283 7.210 8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 85.598 6.149 8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 84.422 5.415 7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 85.617 6.399 6.904 1.00 0.00 H new ATOM 1362 N ARG A 104 80.853 7.690 3.250 1.00 0.00 N ATOM 1363 CA ARG A 104 80.763 6.362 2.672 1.00 0.00 C ATOM 1364 C ARG A 104 82.049 6.027 1.924 1.00 0.00 C ATOM 1365 O ARG A 104 82.601 6.868 1.215 1.00 0.00 O ATOM 1366 CB ARG A 104 79.576 6.281 1.710 1.00 0.00 C ATOM 1367 CG ARG A 104 79.546 7.528 0.825 1.00 0.00 C ATOM 1368 CD ARG A 104 78.535 8.530 1.386 1.00 0.00 C ATOM 1369 NE ARG A 104 77.175 8.037 1.198 1.00 0.00 N ATOM 1370 CZ ARG A 104 76.141 8.623 1.794 1.00 0.00 C ATOM 1371 NH1 ARG A 104 74.934 8.164 1.607 1.00 0.00 N ATOM 1372 NH2 ARG A 104 76.334 9.658 2.566 1.00 0.00 N ATOM 0 H ARG A 104 81.213 8.406 2.619 1.00 0.00 H new ATOM 0 HA ARG A 104 80.618 5.643 3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 104 79.656 5.386 1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 104 78.645 6.199 2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 104 80.537 7.980 0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 104 79.276 7.256 -0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 104 78.726 8.694 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 104 78.652 9.492 0.888 1.00 0.00 H new ATOM 0 HE ARG A 104 77.014 7.228 0.598 1.00 0.00 H new ATOM 0 HH11 ARG A 104 74.784 7.356 1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 104 74.141 8.614 2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 104 77.278 10.017 2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 104 75.541 10.108 3.023 1.00 0.00 H new ATOM 1386 N LEU A 105 82.515 4.793 2.091 1.00 0.00 N ATOM 1387 CA LEU A 105 83.739 4.345 1.430 1.00 0.00 C ATOM 1388 C LEU A 105 83.432 3.219 0.450 1.00 0.00 C ATOM 1389 O LEU A 105 82.490 2.450 0.656 1.00 0.00 O ATOM 1390 CB LEU A 105 84.749 3.852 2.473 1.00 0.00 C ATOM 1391 CG LEU A 105 85.913 4.845 2.600 1.00 0.00 C ATOM 1392 CD1 LEU A 105 86.701 4.910 1.287 1.00 0.00 C ATOM 1393 CD2 LEU A 105 85.364 6.235 2.934 1.00 0.00 C ATOM 0 H LEU A 105 82.067 4.087 2.675 1.00 0.00 H new ATOM 0 HA LEU A 105 84.164 5.187 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 105 84.257 3.733 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 105 85.129 2.871 2.186 1.00 0.00 H new ATOM 0 HG LEU A 105 86.578 4.510 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 105 87.523 5.618 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 105 87.099 3.923 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 105 86.041 5.236 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 105 86.190 6.940 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.693 6.562 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.818 6.194 3.876 1.00 0.00 H new ATOM 1405 N PHE A 106 84.226 3.132 -0.617 1.00 0.00 N ATOM 1406 CA PHE A 106 84.026 2.100 -1.630 1.00 0.00 C ATOM 1407 C PHE A 106 85.206 1.134 -1.676 1.00 0.00 C ATOM 1408 O PHE A 106 86.323 1.517 -2.030 1.00 0.00 O ATOM 1409 CB PHE A 106 83.861 2.755 -3.003 1.00 0.00 C ATOM 1410 CG PHE A 106 82.612 3.602 -3.015 1.00 0.00 C ATOM 1411 CD1 PHE A 106 82.677 4.950 -2.645 1.00 0.00 C ATOM 1412 CD2 PHE A 106 81.392 3.038 -3.403 1.00 0.00 C ATOM 1413 CE1 PHE A 106 81.518 5.735 -2.661 1.00 0.00 C ATOM 1414 CE2 PHE A 106 80.233 3.824 -3.418 1.00 0.00 C ATOM 1415 CZ PHE A 106 80.296 5.173 -3.047 1.00 0.00 C ATOM 0 H PHE A 106 85.008 3.760 -0.800 1.00 0.00 H new ATOM 0 HA PHE A 106 83.129 1.539 -1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 106 84.732 3.370 -3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 106 83.801 1.990 -3.777 1.00 0.00 H new ATOM 0 HD1 PHE A 106 83.620 5.384 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 106 81.344 1.998 -3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 106 81.567 6.775 -2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 106 79.290 3.390 -3.716 1.00 0.00 H new ATOM 0 HZ PHE A 106 79.402 5.779 -3.059 1.00 0.00 H new ATOM 1425 N PHE A 107 84.943 -0.125 -1.340 1.00 0.00 N ATOM 1426 CA PHE A 107 85.981 -1.150 -1.370 1.00 0.00 C ATOM 1427 C PHE A 107 85.459 -2.445 -1.977 1.00 0.00 C ATOM 1428 O PHE A 107 84.263 -2.746 -1.910 1.00 0.00 O ATOM 1429 CB PHE A 107 86.529 -1.425 0.031 1.00 0.00 C ATOM 1430 CG PHE A 107 87.427 -0.288 0.457 1.00 0.00 C ATOM 1431 CD1 PHE A 107 86.940 0.733 1.281 1.00 0.00 C ATOM 1432 CD2 PHE A 107 88.756 -0.262 0.020 1.00 0.00 C ATOM 1433 CE1 PHE A 107 87.788 1.781 1.668 1.00 0.00 C ATOM 1434 CE2 PHE A 107 89.601 0.785 0.406 1.00 0.00 C ATOM 1435 CZ PHE A 107 89.116 1.805 1.229 1.00 0.00 C ATOM 0 H PHE A 107 84.025 -0.459 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 107 86.789 -0.769 -1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.707 -1.537 0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 107 87.085 -2.363 0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 107 85.914 0.714 1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 107 89.130 -1.051 -0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 107 87.416 2.570 2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 107 90.627 0.805 0.068 1.00 0.00 H new ATOM 0 HZ PHE A 107 89.768 2.613 1.527 1.00 0.00 H new ATOM 1445 N TRP A 108 86.366 -3.211 -2.567 1.00 0.00 N ATOM 1446 CA TRP A 108 85.997 -4.475 -3.180 1.00 0.00 C ATOM 1447 C TRP A 108 87.154 -5.462 -3.106 1.00 0.00 C ATOM 1448 O TRP A 108 88.317 -5.071 -2.993 1.00 0.00 O ATOM 1449 CB TRP A 108 85.554 -4.250 -4.636 1.00 0.00 C ATOM 1450 CG TRP A 108 86.607 -3.508 -5.405 1.00 0.00 C ATOM 1451 CD1 TRP A 108 87.027 -2.250 -5.129 1.00 0.00 C ATOM 1452 CD2 TRP A 108 87.341 -3.930 -6.596 1.00 0.00 C ATOM 1453 NE1 TRP A 108 87.989 -1.885 -6.053 1.00 0.00 N ATOM 1454 CE2 TRP A 108 88.216 -2.883 -6.978 1.00 0.00 C ATOM 1455 CE3 TRP A 108 87.344 -5.108 -7.368 1.00 0.00 C ATOM 1456 CZ2 TRP A 108 89.058 -2.998 -8.083 1.00 0.00 C ATOM 1457 CZ3 TRP A 108 88.191 -5.227 -8.486 1.00 0.00 C ATOM 1458 CH2 TRP A 108 89.046 -4.174 -8.840 1.00 0.00 C ATOM 0 H TRP A 108 87.357 -2.979 -2.633 1.00 0.00 H new ATOM 0 HA TRP A 108 85.158 -4.901 -2.630 1.00 0.00 H new ATOM 0 HB2 TRP A 108 85.357 -5.210 -5.113 1.00 0.00 H new ATOM 0 HB3 TRP A 108 84.620 -3.688 -4.654 1.00 0.00 H new ATOM 0 HD1 TRP A 108 86.669 -1.632 -4.319 1.00 0.00 H new ATOM 0 HE1 TRP A 108 88.472 -0.987 -6.051 1.00 0.00 H new ATOM 0 HE3 TRP A 108 86.692 -5.926 -7.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 89.715 -2.185 -8.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 88.182 -6.133 -9.073 1.00 0.00 H new ATOM 0 HH2 TRP A 108 89.696 -4.271 -9.697 1.00 0.00 H new ATOM 1469 N MET A 109 86.820 -6.743 -3.156 1.00 0.00 N ATOM 1470 CA MET A 109 87.823 -7.797 -3.079 1.00 0.00 C ATOM 1471 C MET A 109 88.636 -7.847 -4.371 1.00 0.00 C ATOM 1472 O MET A 109 88.620 -8.839 -5.100 1.00 0.00 O ATOM 1473 CB MET A 109 87.150 -9.146 -2.804 1.00 0.00 C ATOM 1474 CG MET A 109 87.085 -9.394 -1.295 1.00 0.00 C ATOM 1475 SD MET A 109 86.064 -8.114 -0.522 1.00 0.00 S ATOM 1476 CE MET A 109 87.041 -7.930 0.988 1.00 0.00 C ATOM 0 H MET A 109 85.861 -7.079 -3.250 1.00 0.00 H new ATOM 0 HA MET A 109 88.504 -7.580 -2.256 1.00 0.00 H new ATOM 0 HB2 MET A 109 86.145 -9.155 -3.227 1.00 0.00 H new ATOM 0 HB3 MET A 109 87.707 -9.947 -3.290 1.00 0.00 H new ATOM 0 HG2 MET A 109 86.666 -10.380 -1.095 1.00 0.00 H new ATOM 0 HG3 MET A 109 88.088 -9.382 -0.869 1.00 0.00 H new ATOM 0 HE1 MET A 109 86.584 -7.174 1.627 1.00 0.00 H new ATOM 0 HE2 MET A 109 87.074 -8.882 1.518 1.00 0.00 H new ATOM 0 HE3 MET A 109 88.055 -7.623 0.730 1.00 0.00 H new ATOM 1486 N GLN A 110 89.338 -6.753 -4.653 1.00 0.00 N ATOM 1487 CA GLN A 110 90.145 -6.662 -5.864 1.00 0.00 C ATOM 1488 C GLN A 110 91.260 -7.693 -5.839 1.00 0.00 C ATOM 1489 O GLN A 110 91.776 -8.086 -6.886 1.00 0.00 O ATOM 1490 CB GLN A 110 90.754 -5.264 -5.993 1.00 0.00 C ATOM 1491 CG GLN A 110 91.542 -5.160 -7.303 1.00 0.00 C ATOM 1492 CD GLN A 110 92.942 -5.733 -7.110 1.00 0.00 C ATOM 1493 OE1 GLN A 110 93.401 -6.543 -7.915 1.00 0.00 O ATOM 1494 NE2 GLN A 110 93.650 -5.352 -6.084 1.00 0.00 N ATOM 0 H GLN A 110 89.364 -5.922 -4.062 1.00 0.00 H new ATOM 0 HA GLN A 110 89.497 -6.855 -6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 110 89.966 -4.511 -5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 110 91.410 -5.064 -5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 110 91.023 -5.701 -8.094 1.00 0.00 H new ATOM 0 HG3 GLN A 110 91.606 -4.119 -7.618 1.00 0.00 H new ATOM 0 HE21 GLN A 110 93.265 -4.680 -5.420 1.00 0.00 H new ATOM 0 HE22 GLN A 110 94.589 -5.725 -5.945 1.00 0.00 H new ATOM 1503 N GLU A 111 91.633 -8.126 -4.644 1.00 0.00 N ATOM 1504 CA GLU A 111 92.696 -9.105 -4.516 1.00 0.00 C ATOM 1505 C GLU A 111 92.468 -10.246 -5.523 1.00 0.00 C ATOM 1506 O GLU A 111 91.395 -10.852 -5.523 1.00 0.00 O ATOM 1507 CB GLU A 111 92.685 -9.671 -3.097 1.00 0.00 C ATOM 1508 CG GLU A 111 93.905 -10.576 -2.894 1.00 0.00 C ATOM 1509 CD GLU A 111 93.930 -11.082 -1.459 1.00 0.00 C ATOM 1510 OE1 GLU A 111 93.065 -10.679 -0.700 1.00 0.00 O ATOM 1511 OE2 GLU A 111 94.812 -11.859 -1.137 1.00 0.00 O ATOM 0 H GLU A 111 91.221 -7.819 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 111 93.657 -8.632 -4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 111 92.698 -8.858 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 111 91.768 -10.236 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 111 93.866 -11.417 -3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 111 94.820 -10.025 -3.112 1.00 0.00 H new ATOM 1518 N PRO A 112 93.424 -10.549 -6.387 1.00 0.00 N ATOM 1519 CA PRO A 112 93.273 -11.637 -7.406 1.00 0.00 C ATOM 1520 C PRO A 112 92.808 -12.965 -6.811 1.00 0.00 C ATOM 1521 O PRO A 112 92.227 -13.792 -7.513 1.00 0.00 O ATOM 1522 CB PRO A 112 94.686 -11.801 -7.975 1.00 0.00 C ATOM 1523 CG PRO A 112 95.339 -10.482 -7.781 1.00 0.00 C ATOM 1524 CD PRO A 112 94.743 -9.888 -6.513 1.00 0.00 C ATOM 0 HA PRO A 112 92.514 -11.373 -8.143 1.00 0.00 H new ATOM 0 HB2 PRO A 112 95.230 -12.590 -7.456 1.00 0.00 H new ATOM 0 HB3 PRO A 112 94.657 -12.075 -9.030 1.00 0.00 H new ATOM 0 HG2 PRO A 112 96.419 -10.594 -7.687 1.00 0.00 H new ATOM 0 HG3 PRO A 112 95.160 -9.831 -8.636 1.00 0.00 H new ATOM 0 HD2 PRO A 112 95.373 -10.087 -5.646 1.00 0.00 H new ATOM 0 HD3 PRO A 112 94.640 -8.806 -6.590 1.00 0.00 H new ATOM 1532 N LYS A 113 93.094 -13.184 -5.532 1.00 0.00 N ATOM 1533 CA LYS A 113 92.723 -14.443 -4.902 1.00 0.00 C ATOM 1534 C LYS A 113 91.211 -14.643 -4.905 1.00 0.00 C ATOM 1535 O LYS A 113 90.743 -15.726 -5.240 1.00 0.00 O ATOM 1536 CB LYS A 113 93.222 -14.461 -3.455 1.00 0.00 C ATOM 1537 CG LYS A 113 94.750 -14.543 -3.439 1.00 0.00 C ATOM 1538 CD LYS A 113 95.249 -14.702 -1.998 1.00 0.00 C ATOM 1539 CE LYS A 113 95.294 -16.188 -1.628 1.00 0.00 C ATOM 1540 NZ LYS A 113 96.321 -16.873 -2.462 1.00 0.00 N ATOM 0 H LYS A 113 93.572 -12.520 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 113 93.182 -15.250 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 113 92.891 -13.563 -2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 113 92.797 -15.312 -2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 113 95.084 -15.386 -4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 113 95.176 -13.643 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 113 96.241 -14.262 -1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 113 94.591 -14.167 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 113 95.531 -16.304 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 113 94.317 -16.644 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 96.745 -17.652 -1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 95.874 -17.252 -3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 97.062 -16.193 -2.728 1.00 0.00 H new ATOM 1554 N THR A 114 90.474 -13.587 -4.550 1.00 0.00 N ATOM 1555 CA THR A 114 89.001 -13.627 -4.505 1.00 0.00 C ATOM 1556 C THR A 114 88.469 -15.062 -4.368 1.00 0.00 C ATOM 1557 O THR A 114 87.485 -15.436 -5.007 1.00 0.00 O ATOM 1558 CB THR A 114 88.427 -12.971 -5.770 1.00 0.00 C ATOM 1559 OG1 THR A 114 89.240 -13.302 -6.886 1.00 0.00 O ATOM 1560 CG2 THR A 114 88.394 -11.448 -5.597 1.00 0.00 C ATOM 0 H THR A 114 90.872 -12.686 -4.287 1.00 0.00 H new ATOM 0 HA THR A 114 88.679 -13.074 -3.623 1.00 0.00 H new ATOM 0 HB THR A 114 87.413 -13.336 -5.935 1.00 0.00 H new ATOM 0 HG1 THR A 114 88.792 -13.023 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 114 87.986 -10.988 -6.497 1.00 0.00 H new ATOM 0 HG22 THR A 114 87.767 -11.192 -4.743 1.00 0.00 H new ATOM 0 HG23 THR A 114 89.406 -11.079 -5.428 1.00 0.00 H new ATOM 1568 N ASP A 115 89.130 -15.867 -3.535 1.00 0.00 N ATOM 1569 CA ASP A 115 88.717 -17.257 -3.337 1.00 0.00 C ATOM 1570 C ASP A 115 87.940 -17.436 -2.037 1.00 0.00 C ATOM 1571 O ASP A 115 87.102 -18.332 -1.931 1.00 0.00 O ATOM 1572 CB ASP A 115 89.944 -18.176 -3.313 1.00 0.00 C ATOM 1573 CG ASP A 115 90.561 -18.272 -4.705 1.00 0.00 C ATOM 1574 OD1 ASP A 115 89.896 -17.891 -5.655 1.00 0.00 O ATOM 1575 OD2 ASP A 115 91.690 -18.723 -4.799 1.00 0.00 O ATOM 0 H ASP A 115 89.946 -15.584 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 115 88.066 -17.522 -4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 115 90.680 -17.792 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 115 89.657 -19.169 -2.966 1.00 0.00 H new ATOM 1580 N GLN A 116 88.227 -16.592 -1.050 1.00 0.00 N ATOM 1581 CA GLN A 116 87.555 -16.678 0.240 1.00 0.00 C ATOM 1582 C GLN A 116 86.864 -15.367 0.557 1.00 0.00 C ATOM 1583 O GLN A 116 86.674 -15.013 1.720 1.00 0.00 O ATOM 1584 CB GLN A 116 88.568 -17.017 1.336 1.00 0.00 C ATOM 1585 CG GLN A 116 89.021 -18.469 1.173 1.00 0.00 C ATOM 1586 CD GLN A 116 90.159 -18.772 2.140 1.00 0.00 C ATOM 1587 OE1 GLN A 116 90.938 -17.882 2.481 1.00 0.00 O ATOM 1588 NE2 GLN A 116 90.301 -19.982 2.607 1.00 0.00 N ATOM 0 H GLN A 116 88.917 -15.844 -1.119 1.00 0.00 H new ATOM 0 HA GLN A 116 86.805 -17.468 0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 116 89.426 -16.347 1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 116 88.120 -16.872 2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 116 88.185 -19.143 1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 116 89.348 -18.644 0.148 1.00 0.00 H new ATOM 0 HE21 GLN A 116 89.654 -20.718 2.323 1.00 0.00 H new ATOM 0 HE22 GLN A 116 91.059 -20.192 3.256 1.00 0.00 H new ATOM 1597 N ASP A 117 86.496 -14.646 -0.490 1.00 0.00 N ATOM 1598 CA ASP A 117 85.832 -13.369 -0.315 1.00 0.00 C ATOM 1599 C ASP A 117 84.538 -13.533 0.475 1.00 0.00 C ATOM 1600 O ASP A 117 84.198 -12.691 1.307 1.00 0.00 O ATOM 1601 CB ASP A 117 85.520 -12.751 -1.679 1.00 0.00 C ATOM 1602 CG ASP A 117 84.718 -13.732 -2.524 1.00 0.00 C ATOM 1603 OD1 ASP A 117 84.595 -14.873 -2.112 1.00 0.00 O ATOM 1604 OD2 ASP A 117 84.235 -13.326 -3.569 1.00 0.00 O ATOM 0 H ASP A 117 86.645 -14.922 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 117 86.501 -12.712 0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 117 84.958 -11.826 -1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 117 86.447 -12.491 -2.190 1.00 0.00 H new ATOM 1609 N GLU A 118 83.820 -14.622 0.212 1.00 0.00 N ATOM 1610 CA GLU A 118 82.569 -14.884 0.904 1.00 0.00 C ATOM 1611 C GLU A 118 82.822 -15.123 2.386 1.00 0.00 C ATOM 1612 O GLU A 118 82.081 -14.640 3.240 1.00 0.00 O ATOM 1613 CB GLU A 118 81.894 -16.115 0.294 1.00 0.00 C ATOM 1614 CG GLU A 118 81.395 -15.777 -1.113 1.00 0.00 C ATOM 1615 CD GLU A 118 80.888 -17.040 -1.803 1.00 0.00 C ATOM 1616 OE1 GLU A 118 81.129 -18.115 -1.280 1.00 0.00 O ATOM 1617 OE2 GLU A 118 80.269 -16.912 -2.847 1.00 0.00 O ATOM 0 H GLU A 118 84.084 -15.331 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 118 81.918 -14.017 0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 118 82.598 -16.946 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 118 81.061 -16.434 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 118 80.596 -15.038 -1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 118 82.201 -15.332 -1.697 1.00 0.00 H new ATOM 1624 N GLU A 119 83.877 -15.876 2.684 1.00 0.00 N ATOM 1625 CA GLU A 119 84.216 -16.174 4.064 1.00 0.00 C ATOM 1626 C GLU A 119 84.691 -14.922 4.789 1.00 0.00 C ATOM 1627 O GLU A 119 84.347 -14.702 5.946 1.00 0.00 O ATOM 1628 CB GLU A 119 85.302 -17.248 4.120 1.00 0.00 C ATOM 1629 CG GLU A 119 84.723 -18.587 3.661 1.00 0.00 C ATOM 1630 CD GLU A 119 85.832 -19.631 3.573 1.00 0.00 C ATOM 1631 OE1 GLU A 119 86.986 -19.251 3.693 1.00 0.00 O ATOM 1632 OE2 GLU A 119 85.512 -20.793 3.385 1.00 0.00 O ATOM 0 H GLU A 119 84.505 -16.286 1.992 1.00 0.00 H new ATOM 0 HA GLU A 119 83.319 -16.543 4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 119 86.140 -16.965 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 119 85.688 -17.336 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 119 83.954 -18.919 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 119 84.243 -18.471 2.689 1.00 0.00 H new ATOM 1639 N HIS A 120 85.484 -14.104 4.105 1.00 0.00 N ATOM 1640 CA HIS A 120 85.996 -12.877 4.708 1.00 0.00 C ATOM 1641 C HIS A 120 84.877 -11.903 5.042 1.00 0.00 C ATOM 1642 O HIS A 120 84.890 -11.294 6.107 1.00 0.00 O ATOM 1643 CB HIS A 120 87.004 -12.196 3.780 1.00 0.00 C ATOM 1644 CG HIS A 120 88.356 -12.834 3.945 1.00 0.00 C ATOM 1645 ND1 HIS A 120 89.124 -12.637 5.084 1.00 0.00 N ATOM 1646 CD2 HIS A 120 89.100 -13.648 3.128 1.00 0.00 C ATOM 1647 CE1 HIS A 120 90.272 -13.319 4.922 1.00 0.00 C ATOM 1648 NE2 HIS A 120 90.310 -13.953 3.747 1.00 0.00 N ATOM 0 H HIS A 120 85.784 -14.265 3.143 1.00 0.00 H new ATOM 0 HA HIS A 120 86.492 -13.161 5.636 1.00 0.00 H new ATOM 0 HB2 HIS A 120 86.675 -12.281 2.744 1.00 0.00 H new ATOM 0 HB3 HIS A 120 87.063 -11.132 4.009 1.00 0.00 H new ATOM 0 HD2 HIS A 120 88.794 -13.999 2.153 1.00 0.00 H new ATOM 0 HE1 HIS A 120 91.066 -13.350 5.653 1.00 0.00 H new ATOM 0 HE2 HIS A 120 91.063 -14.535 3.381 1.00 0.00 H new ATOM 1656 N CYS A 121 83.917 -11.754 4.131 1.00 0.00 N ATOM 1657 CA CYS A 121 82.807 -10.835 4.361 1.00 0.00 C ATOM 1658 C CYS A 121 81.898 -11.370 5.458 1.00 0.00 C ATOM 1659 O CYS A 121 81.378 -10.612 6.272 1.00 0.00 O ATOM 1660 CB CYS A 121 82.003 -10.643 3.073 1.00 0.00 C ATOM 1661 SG CYS A 121 81.141 -12.179 2.658 1.00 0.00 S ATOM 0 H CYS A 121 83.885 -12.250 3.240 1.00 0.00 H new ATOM 0 HA CYS A 121 83.214 -9.873 4.674 1.00 0.00 H new ATOM 0 HB2 CYS A 121 81.284 -9.834 3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 121 82.667 -10.355 2.258 1.00 0.00 H new ATOM 0 HG CYS A 121 81.863 -13.195 3.028 1.00 0.00 H new ATOM 1667 N ARG A 122 81.715 -12.681 5.483 1.00 0.00 N ATOM 1668 CA ARG A 122 80.883 -13.293 6.507 1.00 0.00 C ATOM 1669 C ARG A 122 81.604 -13.277 7.849 1.00 0.00 C ATOM 1670 O ARG A 122 81.006 -13.008 8.887 1.00 0.00 O ATOM 1671 CB ARG A 122 80.551 -14.735 6.116 1.00 0.00 C ATOM 1672 CG ARG A 122 79.572 -14.739 4.939 1.00 0.00 C ATOM 1673 CD ARG A 122 78.135 -14.709 5.468 1.00 0.00 C ATOM 1674 NE ARG A 122 77.189 -14.611 4.363 1.00 0.00 N ATOM 1675 CZ ARG A 122 75.887 -14.784 4.561 1.00 0.00 C ATOM 1676 NH1 ARG A 122 75.050 -14.650 3.568 1.00 0.00 N ATOM 1677 NH2 ARG A 122 75.446 -15.099 5.748 1.00 0.00 N ATOM 0 H ARG A 122 82.125 -13.334 4.816 1.00 0.00 H new ATOM 0 HA ARG A 122 79.958 -12.723 6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 122 81.463 -15.267 5.845 1.00 0.00 H new ATOM 0 HB3 ARG A 122 80.115 -15.261 6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 122 79.753 -13.875 4.299 1.00 0.00 H new ATOM 0 HG3 ARG A 122 79.727 -15.627 4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 122 77.935 -15.610 6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 122 78.006 -13.862 6.142 1.00 0.00 H new ATOM 0 HE ARG A 122 77.532 -14.407 3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 122 75.396 -14.412 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 122 74.051 -14.783 3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 122 76.101 -15.212 6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 122 74.447 -15.232 5.902 1.00 0.00 H new ATOM 1691 N LYS A 123 82.896 -13.578 7.812 1.00 0.00 N ATOM 1692 CA LYS A 123 83.706 -13.615 9.026 1.00 0.00 C ATOM 1693 C LYS A 123 83.883 -12.234 9.631 1.00 0.00 C ATOM 1694 O LYS A 123 83.768 -12.070 10.845 1.00 0.00 O ATOM 1695 CB LYS A 123 85.077 -14.223 8.720 1.00 0.00 C ATOM 1696 CG LYS A 123 85.816 -14.501 10.035 1.00 0.00 C ATOM 1697 CD LYS A 123 85.945 -16.013 10.261 1.00 0.00 C ATOM 1698 CE LYS A 123 84.562 -16.622 10.530 1.00 0.00 C ATOM 1699 NZ LYS A 123 84.727 -17.981 11.120 1.00 0.00 N ATOM 0 H LYS A 123 83.406 -13.800 6.957 1.00 0.00 H new ATOM 0 HA LYS A 123 83.180 -14.233 9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 123 84.959 -15.147 8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 123 85.659 -13.541 8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 123 86.805 -14.044 10.008 1.00 0.00 H new ATOM 0 HG3 LYS A 123 85.277 -14.046 10.866 1.00 0.00 H new ATOM 0 HD2 LYS A 123 86.395 -16.483 9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 123 86.608 -16.208 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 123 83.997 -15.984 11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 123 83.992 -16.683 9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 83.791 -18.396 11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 85.250 -18.587 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 85.255 -17.910 12.013 1.00 0.00 H new ATOM 1713 N VAL A 124 84.155 -11.237 8.798 1.00 0.00 N ATOM 1714 CA VAL A 124 84.333 -9.898 9.316 1.00 0.00 C ATOM 1715 C VAL A 124 83.005 -9.368 9.809 1.00 0.00 C ATOM 1716 O VAL A 124 82.941 -8.682 10.826 1.00 0.00 O ATOM 1717 CB VAL A 124 84.894 -8.974 8.241 1.00 0.00 C ATOM 1718 CG1 VAL A 124 86.246 -9.503 7.765 1.00 0.00 C ATOM 1719 CG2 VAL A 124 83.937 -8.901 7.063 1.00 0.00 C ATOM 0 H VAL A 124 84.254 -11.331 7.787 1.00 0.00 H new ATOM 0 HA VAL A 124 85.043 -9.933 10.143 1.00 0.00 H new ATOM 0 HB VAL A 124 85.019 -7.976 8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 124 86.646 -8.841 6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 124 86.938 -9.542 8.606 1.00 0.00 H new ATOM 0 HG13 VAL A 124 86.120 -10.504 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 124 84.348 -8.238 6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 124 83.801 -9.897 6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 124 82.975 -8.515 7.399 1.00 0.00 H new ATOM 1729 N ASN A 125 81.947 -9.698 9.086 1.00 0.00 N ATOM 1730 CA ASN A 125 80.622 -9.247 9.469 1.00 0.00 C ATOM 1731 C ASN A 125 80.235 -9.789 10.842 1.00 0.00 C ATOM 1732 O ASN A 125 79.707 -9.057 11.677 1.00 0.00 O ATOM 1733 CB ASN A 125 79.584 -9.682 8.435 1.00 0.00 C ATOM 1734 CG ASN A 125 78.213 -9.143 8.822 1.00 0.00 C ATOM 1735 OD1 ASN A 125 78.108 -8.280 9.694 1.00 0.00 O ATOM 1736 ND2 ASN A 125 77.150 -9.601 8.220 1.00 0.00 N ATOM 0 H ASN A 125 81.979 -10.269 8.242 1.00 0.00 H new ATOM 0 HA ASN A 125 80.645 -8.158 9.516 1.00 0.00 H new ATOM 0 HB2 ASN A 125 79.864 -9.314 7.448 1.00 0.00 H new ATOM 0 HB3 ASN A 125 79.553 -10.770 8.373 1.00 0.00 H new ATOM 0 HD21 ASN A 125 76.228 -9.244 8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 125 77.241 -10.316 7.498 1.00 0.00 H new ATOM 1743 N GLU A 126 80.502 -11.072 11.076 1.00 0.00 N ATOM 1744 CA GLU A 126 80.167 -11.679 12.363 1.00 0.00 C ATOM 1745 C GLU A 126 80.948 -11.018 13.496 1.00 0.00 C ATOM 1746 O GLU A 126 80.387 -10.709 14.546 1.00 0.00 O ATOM 1747 CB GLU A 126 80.476 -13.180 12.336 1.00 0.00 C ATOM 1748 CG GLU A 126 79.462 -13.902 11.444 1.00 0.00 C ATOM 1749 CD GLU A 126 79.901 -15.345 11.215 1.00 0.00 C ATOM 1750 OE1 GLU A 126 81.048 -15.648 11.503 1.00 0.00 O ATOM 1751 OE2 GLU A 126 79.086 -16.126 10.753 1.00 0.00 O ATOM 0 H GLU A 126 80.941 -11.702 10.405 1.00 0.00 H new ATOM 0 HA GLU A 126 79.102 -11.531 12.539 1.00 0.00 H new ATOM 0 HB2 GLU A 126 81.486 -13.346 11.962 1.00 0.00 H new ATOM 0 HB3 GLU A 126 80.439 -13.586 13.347 1.00 0.00 H new ATOM 0 HG2 GLU A 126 78.477 -13.883 11.910 1.00 0.00 H new ATOM 0 HG3 GLU A 126 79.373 -13.385 10.489 1.00 0.00 H new ATOM 1758 N TYR A 127 82.241 -10.789 13.275 1.00 0.00 N ATOM 1759 CA TYR A 127 83.071 -10.150 14.297 1.00 0.00 C ATOM 1760 C TYR A 127 82.639 -8.707 14.544 1.00 0.00 C ATOM 1761 O TYR A 127 82.575 -8.258 15.689 1.00 0.00 O ATOM 1762 CB TYR A 127 84.542 -10.179 13.880 1.00 0.00 C ATOM 1763 CG TYR A 127 85.195 -11.429 14.422 1.00 0.00 C ATOM 1764 CD1 TYR A 127 84.893 -12.677 13.869 1.00 0.00 C ATOM 1765 CD2 TYR A 127 86.107 -11.334 15.481 1.00 0.00 C ATOM 1766 CE1 TYR A 127 85.501 -13.832 14.375 1.00 0.00 C ATOM 1767 CE2 TYR A 127 86.715 -12.488 15.986 1.00 0.00 C ATOM 1768 CZ TYR A 127 86.412 -13.738 15.435 1.00 0.00 C ATOM 1769 OH TYR A 127 87.013 -14.875 15.934 1.00 0.00 O ATOM 0 H TYR A 127 82.731 -11.031 12.414 1.00 0.00 H new ATOM 0 HA TYR A 127 82.943 -10.710 15.223 1.00 0.00 H new ATOM 0 HB2 TYR A 127 84.623 -10.155 12.793 1.00 0.00 H new ATOM 0 HB3 TYR A 127 85.056 -9.295 14.257 1.00 0.00 H new ATOM 0 HD1 TYR A 127 84.191 -12.750 13.052 1.00 0.00 H new ATOM 0 HD2 TYR A 127 86.341 -10.370 15.908 1.00 0.00 H new ATOM 0 HE1 TYR A 127 85.268 -14.796 13.948 1.00 0.00 H new ATOM 0 HE2 TYR A 127 87.419 -12.414 16.802 1.00 0.00 H new ATOM 0 HH TYR A 127 87.617 -14.631 16.666 1.00 0.00 H new ATOM 1779 N LEU A 128 82.345 -7.985 13.470 1.00 0.00 N ATOM 1780 CA LEU A 128 81.923 -6.592 13.592 1.00 0.00 C ATOM 1781 C LEU A 128 80.478 -6.509 14.076 1.00 0.00 C ATOM 1782 O LEU A 128 80.089 -5.550 14.743 1.00 0.00 O ATOM 1783 CB LEU A 128 82.054 -5.880 12.241 1.00 0.00 C ATOM 1784 CG LEU A 128 82.800 -4.556 12.426 1.00 0.00 C ATOM 1785 CD1 LEU A 128 84.266 -4.833 12.776 1.00 0.00 C ATOM 1786 CD2 LEU A 128 82.733 -3.752 11.125 1.00 0.00 C ATOM 0 H LEU A 128 82.390 -8.335 12.513 1.00 0.00 H new ATOM 0 HA LEU A 128 82.568 -6.102 14.322 1.00 0.00 H new ATOM 0 HB2 LEU A 128 82.589 -6.515 11.535 1.00 0.00 H new ATOM 0 HB3 LEU A 128 81.066 -5.696 11.819 1.00 0.00 H new ATOM 0 HG LEU A 128 82.337 -3.990 13.234 1.00 0.00 H new ATOM 0 HD11 LEU A 128 84.794 -3.888 12.907 1.00 0.00 H new ATOM 0 HD12 LEU A 128 84.317 -5.408 13.701 1.00 0.00 H new ATOM 0 HD13 LEU A 128 84.732 -5.400 11.970 1.00 0.00 H new ATOM 0 HD21 LEU A 128 83.263 -2.808 11.253 1.00 0.00 H new ATOM 0 HD22 LEU A 128 83.197 -4.323 10.320 1.00 0.00 H new ATOM 0 HD23 LEU A 128 81.691 -3.552 10.874 1.00 0.00 H new ATOM 1798 N ASN A 129 79.688 -7.522 13.734 1.00 0.00 N ATOM 1799 CA ASN A 129 78.287 -7.558 14.133 1.00 0.00 C ATOM 1800 C ASN A 129 78.138 -8.201 15.507 1.00 0.00 C ATOM 1801 O ASN A 129 77.096 -8.082 16.152 1.00 0.00 O ATOM 1802 CB ASN A 129 77.473 -8.348 13.107 1.00 0.00 C ATOM 1803 CG ASN A 129 75.989 -8.267 13.447 1.00 0.00 C ATOM 1804 OD1 ASN A 129 75.442 -9.180 14.067 1.00 0.00 O ATOM 1805 ND2 ASN A 129 75.303 -7.220 13.080 1.00 0.00 N ATOM 0 H ASN A 129 79.993 -8.325 13.184 1.00 0.00 H new ATOM 0 HA ASN A 129 77.916 -6.534 14.181 1.00 0.00 H new ATOM 0 HB2 ASN A 129 77.648 -7.950 12.107 1.00 0.00 H new ATOM 0 HB3 ASN A 129 77.796 -9.389 13.097 1.00 0.00 H new ATOM 0 HD21 ASN A 129 74.311 -7.156 13.306 1.00 0.00 H new ATOM 0 HD22 ASN A 129 75.759 -6.466 12.567 1.00 0.00 H new ATOM 1862 N PRO B 942 90.207 -10.726 -11.573 1.00 0.00 N ATOM 1863 CA PRO B 942 88.967 -9.914 -11.372 1.00 0.00 C ATOM 1864 C PRO B 942 88.875 -8.758 -12.357 1.00 0.00 C ATOM 1865 O PRO B 942 89.891 -8.200 -12.773 1.00 0.00 O ATOM 1866 CB PRO B 942 89.107 -9.384 -9.943 1.00 0.00 C ATOM 1867 CG PRO B 942 90.022 -10.343 -9.264 1.00 0.00 C ATOM 1868 CD PRO B 942 91.001 -10.809 -10.335 1.00 0.00 C ATOM 0 HA PRO B 942 88.065 -10.505 -11.531 1.00 0.00 H new ATOM 0 HB2 PRO B 942 89.517 -8.374 -9.935 1.00 0.00 H new ATOM 0 HB3 PRO B 942 88.140 -9.339 -9.442 1.00 0.00 H new ATOM 0 HG2 PRO B 942 90.546 -9.865 -8.436 1.00 0.00 H new ATOM 0 HG3 PRO B 942 89.468 -11.184 -8.847 1.00 0.00 H new ATOM 0 HD2 PRO B 942 91.884 -10.171 -10.379 1.00 0.00 H new ATOM 0 HD3 PRO B 942 91.350 -11.824 -10.147 1.00 0.00 H new ATOM 1876 N GLU B 943 87.650 -8.408 -12.725 1.00 0.00 N ATOM 1877 CA GLU B 943 87.430 -7.317 -13.660 1.00 0.00 C ATOM 1878 C GLU B 943 87.037 -6.036 -12.912 1.00 0.00 C ATOM 1879 O GLU B 943 85.925 -5.941 -12.393 1.00 0.00 O ATOM 1880 CB GLU B 943 86.322 -7.691 -14.650 1.00 0.00 C ATOM 1881 CG GLU B 943 85.277 -8.568 -13.954 1.00 0.00 C ATOM 1882 CD GLU B 943 85.809 -9.990 -13.799 1.00 0.00 C ATOM 1883 OE1 GLU B 943 86.890 -10.254 -14.300 1.00 0.00 O ATOM 1884 OE2 GLU B 943 85.129 -10.794 -13.184 1.00 0.00 O ATOM 0 H GLU B 943 86.799 -8.861 -12.392 1.00 0.00 H new ATOM 0 HA GLU B 943 88.358 -7.138 -14.203 1.00 0.00 H new ATOM 0 HB2 GLU B 943 85.851 -6.789 -15.040 1.00 0.00 H new ATOM 0 HB3 GLU B 943 86.747 -8.223 -15.501 1.00 0.00 H new ATOM 0 HG2 GLU B 943 85.035 -8.153 -12.976 1.00 0.00 H new ATOM 0 HG3 GLU B 943 84.354 -8.577 -14.533 1.00 0.00 H new ATOM 1891 N PRO B 944 87.912 -5.051 -12.838 1.00 0.00 N ATOM 1892 CA PRO B 944 87.609 -3.773 -12.128 1.00 0.00 C ATOM 1893 C PRO B 944 86.274 -3.159 -12.574 1.00 0.00 C ATOM 1894 O PRO B 944 86.034 -3.012 -13.772 1.00 0.00 O ATOM 1895 CB PRO B 944 88.756 -2.858 -12.562 1.00 0.00 C ATOM 1896 CG PRO B 944 89.892 -3.774 -12.817 1.00 0.00 C ATOM 1897 CD PRO B 944 89.280 -5.036 -13.397 1.00 0.00 C ATOM 0 HA PRO B 944 87.524 -3.919 -11.051 1.00 0.00 H new ATOM 0 HB2 PRO B 944 88.495 -2.293 -13.457 1.00 0.00 H new ATOM 0 HB3 PRO B 944 88.999 -2.132 -11.786 1.00 0.00 H new ATOM 0 HG2 PRO B 944 90.605 -3.330 -13.512 1.00 0.00 H new ATOM 0 HG3 PRO B 944 90.435 -3.989 -11.897 1.00 0.00 H new ATOM 0 HD2 PRO B 944 89.267 -5.010 -14.487 1.00 0.00 H new ATOM 0 HD3 PRO B 944 89.841 -5.924 -13.106 1.00 0.00 H new ATOM 1905 N PRO B 945 85.415 -2.769 -11.658 1.00 0.00 N ATOM 1906 CA PRO B 945 84.115 -2.135 -12.019 1.00 0.00 C ATOM 1907 C PRO B 945 84.285 -1.010 -13.041 1.00 0.00 C ATOM 1908 O PRO B 945 85.390 -0.746 -13.514 1.00 0.00 O ATOM 1909 CB PRO B 945 83.590 -1.585 -10.692 1.00 0.00 C ATOM 1910 CG PRO B 945 84.225 -2.420 -9.635 1.00 0.00 C ATOM 1911 CD PRO B 945 85.561 -2.900 -10.193 1.00 0.00 C ATOM 0 HA PRO B 945 83.435 -2.846 -12.488 1.00 0.00 H new ATOM 0 HB2 PRO B 945 83.852 -0.534 -10.572 1.00 0.00 H new ATOM 0 HB3 PRO B 945 82.503 -1.650 -10.643 1.00 0.00 H new ATOM 0 HG2 PRO B 945 84.373 -1.842 -8.723 1.00 0.00 H new ATOM 0 HG3 PRO B 945 83.588 -3.266 -9.376 1.00 0.00 H new ATOM 0 HD2 PRO B 945 86.388 -2.295 -9.820 1.00 0.00 H new ATOM 0 HD3 PRO B 945 85.765 -3.931 -9.904 1.00 0.00 H new ATOM 1919 N GLU B 946 83.173 -0.364 -13.379 1.00 0.00 N ATOM 1920 CA GLU B 946 83.177 0.724 -14.346 1.00 0.00 C ATOM 1921 C GLU B 946 82.787 2.031 -13.650 1.00 0.00 C ATOM 1922 O GLU B 946 82.044 2.009 -12.671 1.00 0.00 O ATOM 1923 CB GLU B 946 82.171 0.415 -15.465 1.00 0.00 C ATOM 1924 CG GLU B 946 82.649 -0.790 -16.280 1.00 0.00 C ATOM 1925 CD GLU B 946 82.577 -2.061 -15.440 1.00 0.00 C ATOM 1926 OE1 GLU B 946 81.854 -2.058 -14.458 1.00 0.00 O ATOM 1927 OE2 GLU B 946 83.245 -3.020 -15.793 1.00 0.00 O ATOM 0 H GLU B 946 82.253 -0.578 -12.994 1.00 0.00 H new ATOM 0 HA GLU B 946 84.175 0.828 -14.773 1.00 0.00 H new ATOM 0 HB2 GLU B 946 81.190 0.209 -15.037 1.00 0.00 H new ATOM 0 HB3 GLU B 946 82.059 1.283 -16.115 1.00 0.00 H new ATOM 0 HG2 GLU B 946 82.033 -0.901 -17.173 1.00 0.00 H new ATOM 0 HG3 GLU B 946 83.673 -0.626 -16.617 1.00 0.00 H new ATOM 1934 N PRO B 947 83.262 3.158 -14.118 1.00 0.00 N ATOM 1935 CA PRO B 947 82.931 4.476 -13.498 1.00 0.00 C ATOM 1936 C PRO B 947 81.432 4.769 -13.495 1.00 0.00 C ATOM 1937 O PRO B 947 80.767 4.637 -14.525 1.00 0.00 O ATOM 1938 CB PRO B 947 83.660 5.503 -14.378 1.00 0.00 C ATOM 1939 CG PRO B 947 84.056 4.785 -15.619 1.00 0.00 C ATOM 1940 CD PRO B 947 84.168 3.310 -15.267 1.00 0.00 C ATOM 0 HA PRO B 947 83.234 4.499 -12.451 1.00 0.00 H new ATOM 0 HB2 PRO B 947 83.011 6.348 -14.608 1.00 0.00 H new ATOM 0 HB3 PRO B 947 84.534 5.903 -13.865 1.00 0.00 H new ATOM 0 HG2 PRO B 947 83.317 4.938 -16.405 1.00 0.00 H new ATOM 0 HG3 PRO B 947 85.006 5.164 -15.997 1.00 0.00 H new ATOM 0 HD2 PRO B 947 83.868 2.675 -16.101 1.00 0.00 H new ATOM 0 HD3 PRO B 947 85.191 3.036 -15.010 1.00 0.00 H new ATOM 1948 N PHE B 948 80.904 5.192 -12.343 1.00 0.00 N ATOM 1949 CA PHE B 948 79.486 5.525 -12.253 1.00 0.00 C ATOM 1950 C PHE B 948 79.288 6.623 -11.218 1.00 0.00 C ATOM 1951 O PHE B 948 80.143 6.841 -10.372 1.00 0.00 O ATOM 1952 CB PHE B 948 78.650 4.291 -11.891 1.00 0.00 C ATOM 1953 CG PHE B 948 78.892 3.862 -10.459 1.00 0.00 C ATOM 1954 CD1 PHE B 948 78.059 4.341 -9.437 1.00 0.00 C ATOM 1955 CD2 PHE B 948 79.924 2.965 -10.151 1.00 0.00 C ATOM 1956 CE1 PHE B 948 78.259 3.925 -8.115 1.00 0.00 C ATOM 1957 CE2 PHE B 948 80.123 2.553 -8.829 1.00 0.00 C ATOM 1958 CZ PHE B 948 79.290 3.031 -7.812 1.00 0.00 C ATOM 0 H PHE B 948 81.429 5.309 -11.476 1.00 0.00 H new ATOM 0 HA PHE B 948 79.148 5.880 -13.227 1.00 0.00 H new ATOM 0 HB2 PHE B 948 77.592 4.512 -12.033 1.00 0.00 H new ATOM 0 HB3 PHE B 948 78.898 3.471 -12.565 1.00 0.00 H new ATOM 0 HD1 PHE B 948 77.262 5.032 -9.670 1.00 0.00 H new ATOM 0 HD2 PHE B 948 80.566 2.592 -10.935 1.00 0.00 H new ATOM 0 HE1 PHE B 948 77.617 4.295 -7.329 1.00 0.00 H new ATOM 0 HE2 PHE B 948 80.921 1.865 -8.593 1.00 0.00 H new ATOM 0 HZ PHE B 948 79.443 2.709 -6.793 1.00 0.00 H new ATOM 1968 N GLU B 949 78.171 7.322 -11.289 1.00 0.00 N ATOM 1969 CA GLU B 949 77.915 8.395 -10.343 1.00 0.00 C ATOM 1970 C GLU B 949 77.133 7.873 -9.155 1.00 0.00 C ATOM 1971 O GLU B 949 76.045 7.317 -9.308 1.00 0.00 O ATOM 1972 CB GLU B 949 77.140 9.535 -11.011 1.00 0.00 C ATOM 1973 CG GLU B 949 76.228 8.971 -12.101 1.00 0.00 C ATOM 1974 CD GLU B 949 76.968 8.943 -13.433 1.00 0.00 C ATOM 1975 OE1 GLU B 949 76.880 9.920 -14.157 1.00 0.00 O ATOM 1976 OE2 GLU B 949 77.612 7.945 -13.709 1.00 0.00 O ATOM 0 H GLU B 949 77.436 7.171 -11.980 1.00 0.00 H new ATOM 0 HA GLU B 949 78.875 8.779 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU B 949 76.547 10.069 -10.268 1.00 0.00 H new ATOM 0 HB3 GLU B 949 77.835 10.256 -11.442 1.00 0.00 H new ATOM 0 HG2 GLU B 949 75.906 7.965 -11.833 1.00 0.00 H new ATOM 0 HG3 GLU B 949 75.329 9.581 -12.187 1.00 0.00 H new ATOM 1983 N TYR B 950 77.691 8.062 -7.971 1.00 0.00 N ATOM 1984 CA TYR B 950 77.036 7.616 -6.763 1.00 0.00 C ATOM 1985 C TYR B 950 76.241 8.746 -6.160 1.00 0.00 C ATOM 1986 O TYR B 950 76.766 9.591 -5.434 1.00 0.00 O ATOM 1987 CB TYR B 950 78.062 7.101 -5.765 1.00 0.00 C ATOM 1988 CG TYR B 950 77.447 7.074 -4.392 1.00 0.00 C ATOM 1989 CD1 TYR B 950 76.442 6.147 -4.092 1.00 0.00 C ATOM 1990 CD2 TYR B 950 77.895 7.963 -3.411 1.00 0.00 C ATOM 1991 CE1 TYR B 950 75.885 6.111 -2.813 1.00 0.00 C ATOM 1992 CE2 TYR B 950 77.336 7.933 -2.133 1.00 0.00 C ATOM 1993 CZ TYR B 950 76.330 7.005 -1.830 1.00 0.00 C ATOM 1994 OH TYR B 950 75.780 6.970 -0.567 1.00 0.00 O ATOM 0 H TYR B 950 78.591 8.519 -7.825 1.00 0.00 H new ATOM 0 HA TYR B 950 76.356 6.801 -7.012 1.00 0.00 H new ATOM 0 HB2 TYR B 950 78.392 6.102 -6.048 1.00 0.00 H new ATOM 0 HB3 TYR B 950 78.944 7.741 -5.769 1.00 0.00 H new ATOM 0 HD1 TYR B 950 76.098 5.460 -4.850 1.00 0.00 H new ATOM 0 HD2 TYR B 950 78.675 8.674 -3.642 1.00 0.00 H new ATOM 0 HE1 TYR B 950 75.111 5.394 -2.581 1.00 0.00 H new ATOM 0 HE2 TYR B 950 77.678 8.625 -1.377 1.00 0.00 H new ATOM 0 HH TYR B 950 75.492 6.056 -0.361 1.00 0.00 H new ATOM 2004 N ILE B 951 74.962 8.736 -6.476 1.00 0.00 N ATOM 2005 CA ILE B 951 74.048 9.734 -5.987 1.00 0.00 C ATOM 2006 C ILE B 951 72.941 9.051 -5.220 1.00 0.00 C ATOM 2007 O ILE B 951 72.318 8.110 -5.710 1.00 0.00 O ATOM 2008 CB ILE B 951 73.490 10.532 -7.160 1.00 0.00 C ATOM 2009 CG1 ILE B 951 74.639 11.295 -7.811 1.00 0.00 C ATOM 2010 CG2 ILE B 951 72.427 11.515 -6.661 1.00 0.00 C ATOM 2011 CD1 ILE B 951 74.175 11.916 -9.132 1.00 0.00 C ATOM 0 H ILE B 951 74.532 8.034 -7.079 1.00 0.00 H new ATOM 0 HA ILE B 951 74.563 10.425 -5.320 1.00 0.00 H new ATOM 0 HB ILE B 951 73.029 9.861 -7.885 1.00 0.00 H new ATOM 0 HG12 ILE B 951 74.995 12.075 -7.138 1.00 0.00 H new ATOM 0 HG13 ILE B 951 75.477 10.622 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE B 951 72.032 12.082 -7.504 1.00 0.00 H new ATOM 0 HG22 ILE B 951 71.617 10.964 -6.183 1.00 0.00 H new ATOM 0 HG23 ILE B 951 72.874 12.200 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE B 951 75.002 12.459 -9.589 1.00 0.00 H new ATOM 0 HD12 ILE B 951 73.841 11.128 -9.807 1.00 0.00 H new ATOM 0 HD13 ILE B 951 73.351 12.604 -8.941 1.00 0.00 H new ATOM 2023 N ASP B 952 72.717 9.508 -4.007 1.00 0.00 N ATOM 2024 CA ASP B 952 71.697 8.902 -3.181 1.00 0.00 C ATOM 2025 C ASP B 952 70.328 9.131 -3.800 1.00 0.00 C ATOM 2026 O ASP B 952 69.583 10.022 -3.395 1.00 0.00 O ATOM 2027 CB ASP B 952 71.744 9.508 -1.780 1.00 0.00 C ATOM 2028 CG ASP B 952 70.668 8.881 -0.900 1.00 0.00 C ATOM 2029 OD1 ASP B 952 69.923 8.058 -1.406 1.00 0.00 O ATOM 2030 OD2 ASP B 952 70.602 9.237 0.264 1.00 0.00 O ATOM 0 H ASP B 952 73.219 10.285 -3.576 1.00 0.00 H new ATOM 0 HA ASP B 952 71.879 7.830 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP B 952 72.727 9.345 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP B 952 71.595 10.586 -1.837 1.00 0.00 H new ATOM 2035 N ASP B 953 70.013 8.305 -4.789 1.00 0.00 N ATOM 2036 CA ASP B 953 68.730 8.403 -5.474 1.00 0.00 C ATOM 2037 C ASP B 953 68.424 7.113 -6.228 1.00 0.00 C ATOM 2038 O ASP B 953 67.371 6.544 -5.989 1.00 0.00 O ATOM 2039 CB ASP B 953 68.750 9.575 -6.456 1.00 0.00 C ATOM 2040 CG ASP B 953 67.323 9.950 -6.847 1.00 0.00 C ATOM 2041 OD1 ASP B 953 66.408 9.308 -6.360 1.00 0.00 O ATOM 2042 OD2 ASP B 953 67.169 10.874 -7.628 1.00 0.00 O ATOM 2043 OXT ASP B 953 69.247 6.713 -7.035 1.00 0.00 O ATOM 0 H ASP B 953 70.623 7.564 -5.134 1.00 0.00 H new ATOM 0 HA ASP B 953 67.954 8.567 -4.727 1.00 0.00 H new ATOM 0 HB2 ASP B 953 69.249 10.432 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP B 953 69.321 9.306 -7.345 1.00 0.00 H new