USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 797 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 23 MET CE :methyl 159:sc= -2.01 (180deg=-2.8!) USER MOD Set 1.2: A 79 ASN : amide:sc= -1.84! C(o=-3.9!,f=-10!) USER MOD Set 2.1: A 26 TYR OH : rot -145:sc= 1.3 USER MOD Set 2.2: A 96 TYR OH : rot 30:sc= 0.984 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 138:sc= 0.316 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 154:sc= 0 (180deg=-1.06) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -161:sc=-0.000358 (180deg=-0.133) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= -1.64 (180deg=-1.7) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0306) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -153:sc= -2.65! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.82) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -85:sc= -1.34! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ -151:sc= -0.0804 (180deg=-0.812) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl -142:sc= -0.462 (180deg=-2.13!) USER MOD Single : A 116 THR OG1 : rot 43:sc= 0.137 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 5.965 9.084 -6.214 1.00 0.00 N ATOM 2 CA MET A 23 5.857 7.656 -5.967 1.00 0.00 C ATOM 3 C MET A 23 6.660 7.251 -4.730 1.00 0.00 C ATOM 4 O MET A 23 7.867 7.478 -4.667 1.00 0.00 O ATOM 5 CB MET A 23 6.373 6.887 -7.185 1.00 0.00 C ATOM 6 CG MET A 23 5.731 5.500 -7.270 1.00 0.00 C ATOM 7 SD MET A 23 6.446 4.578 -8.619 1.00 0.00 S ATOM 8 CE MET A 23 5.157 4.768 -9.841 1.00 0.00 C ATOM 0 HA MET A 23 4.809 7.415 -5.791 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.155 7.449 -8.093 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.457 6.787 -7.124 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.880 4.963 -6.333 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.655 5.597 -7.415 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.569 4.592 -10.835 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.361 4.049 -9.645 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.753 5.779 -9.790 1.00 0.00 H new ATOM 18 N ARG A 24 5.958 6.659 -3.775 1.00 0.00 N ATOM 19 CA ARG A 24 6.590 6.222 -2.542 1.00 0.00 C ATOM 20 C ARG A 24 6.758 4.701 -2.544 1.00 0.00 C ATOM 21 O ARG A 24 5.800 3.967 -2.781 1.00 0.00 O ATOM 22 CB ARG A 24 5.766 6.635 -1.323 1.00 0.00 C ATOM 23 CG ARG A 24 6.673 7.050 -0.162 1.00 0.00 C ATOM 24 CD ARG A 24 6.065 8.217 0.620 1.00 0.00 C ATOM 25 NE ARG A 24 6.986 9.375 0.598 1.00 0.00 N ATOM 26 CZ ARG A 24 8.122 9.445 1.305 1.00 0.00 C ATOM 27 NH1 ARG A 24 8.482 8.425 2.096 1.00 0.00 N ATOM 28 NH2 ARG A 24 8.896 10.535 1.224 1.00 0.00 N ATOM 0 H ARG A 24 4.957 6.472 -3.830 1.00 0.00 H new ATOM 0 HA ARG A 24 7.568 6.700 -2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.107 7.462 -1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.129 5.807 -1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.827 6.202 0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.653 7.336 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.106 8.497 0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.872 7.915 1.649 1.00 0.00 H new ATOM 0 HE ARG A 24 6.741 10.170 0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.891 7.596 2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.347 8.478 2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.621 11.312 0.624 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.761 10.588 1.762 1.00 0.00 H new ATOM 42 N GLU A 25 7.983 4.273 -2.275 1.00 0.00 N ATOM 43 CA GLU A 25 8.289 2.852 -2.243 1.00 0.00 C ATOM 44 C GLU A 25 8.115 2.304 -0.825 1.00 0.00 C ATOM 45 O GLU A 25 8.705 2.822 0.123 1.00 0.00 O ATOM 46 CB GLU A 25 9.702 2.583 -2.764 1.00 0.00 C ATOM 47 CG GLU A 25 9.870 3.116 -4.189 1.00 0.00 C ATOM 48 CD GLU A 25 11.331 3.027 -4.637 1.00 0.00 C ATOM 49 OE1 GLU A 25 12.199 2.997 -3.740 1.00 0.00 O ATOM 50 OE2 GLU A 25 11.545 2.993 -5.869 1.00 0.00 O ATOM 0 H GLU A 25 8.775 4.885 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 25 7.590 2.335 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.432 3.055 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.903 1.512 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.241 2.545 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.533 4.152 -4.236 1.00 0.00 H new ATOM 57 N TYR A 26 7.301 1.264 -0.723 1.00 0.00 N ATOM 58 CA TYR A 26 7.042 0.639 0.564 1.00 0.00 C ATOM 59 C TYR A 26 7.635 -0.770 0.619 1.00 0.00 C ATOM 60 O TYR A 26 7.739 -1.443 -0.405 1.00 0.00 O ATOM 61 CB TYR A 26 5.520 0.546 0.688 1.00 0.00 C ATOM 62 CG TYR A 26 4.804 1.894 0.593 1.00 0.00 C ATOM 63 CD1 TYR A 26 4.892 2.797 1.632 1.00 0.00 C ATOM 64 CD2 TYR A 26 4.069 2.208 -0.532 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.218 4.066 1.545 1.00 0.00 C ATOM 66 CE2 TYR A 26 3.394 3.477 -0.622 1.00 0.00 C ATOM 67 CZ TYR A 26 3.502 4.343 0.421 1.00 0.00 C ATOM 68 OH TYR A 26 2.865 5.543 0.337 1.00 0.00 O ATOM 0 H TYR A 26 6.812 0.838 -1.510 1.00 0.00 H new ATOM 0 HA TYR A 26 7.492 1.218 1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.142 -0.111 -0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.271 0.081 1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.468 2.552 2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.000 1.501 -1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.279 4.781 2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.816 3.735 -1.497 1.00 0.00 H new ATOM 0 HH TYR A 26 2.020 5.432 -0.147 1.00 0.00 H new ATOM 78 N PRO A 27 8.015 -1.185 1.857 1.00 0.00 N ATOM 79 CA PRO A 27 8.594 -2.502 2.059 1.00 0.00 C ATOM 80 C PRO A 27 7.521 -3.590 1.987 1.00 0.00 C ATOM 81 O PRO A 27 6.328 -3.291 1.992 1.00 0.00 O ATOM 82 CB PRO A 27 9.276 -2.428 3.416 1.00 0.00 C ATOM 83 CG PRO A 27 8.662 -1.233 4.126 1.00 0.00 C ATOM 84 CD PRO A 27 7.906 -0.414 3.092 1.00 0.00 C ATOM 0 HA PRO A 27 9.310 -2.770 1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.116 -3.344 3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.353 -2.305 3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.989 -1.564 4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.437 -0.630 4.598 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.864 -0.275 3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.341 0.579 2.979 1.00 0.00 H new ATOM 92 N VAL A 28 7.984 -4.829 1.922 1.00 0.00 N ATOM 93 CA VAL A 28 7.077 -5.964 1.849 1.00 0.00 C ATOM 94 C VAL A 28 7.545 -7.047 2.822 1.00 0.00 C ATOM 95 O VAL A 28 8.742 -7.305 2.942 1.00 0.00 O ATOM 96 CB VAL A 28 6.977 -6.460 0.406 1.00 0.00 C ATOM 97 CG1 VAL A 28 8.353 -6.845 -0.140 1.00 0.00 C ATOM 98 CG2 VAL A 28 5.996 -7.629 0.296 1.00 0.00 C ATOM 0 H VAL A 28 8.974 -5.073 1.918 1.00 0.00 H new ATOM 0 HA VAL A 28 6.071 -5.670 2.148 1.00 0.00 H new ATOM 0 HB VAL A 28 6.594 -5.642 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.252 -7.194 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.011 -5.976 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.778 -7.640 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.943 -7.963 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.337 -8.451 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.008 -7.307 0.624 1.00 0.00 H new ATOM 108 N LYS A 29 6.576 -7.653 3.493 1.00 0.00 N ATOM 109 CA LYS A 29 6.873 -8.704 4.453 1.00 0.00 C ATOM 110 C LYS A 29 7.072 -10.026 3.709 1.00 0.00 C ATOM 111 O LYS A 29 6.425 -10.273 2.692 1.00 0.00 O ATOM 112 CB LYS A 29 5.795 -8.762 5.536 1.00 0.00 C ATOM 113 CG LYS A 29 6.151 -9.790 6.610 1.00 0.00 C ATOM 114 CD LYS A 29 6.770 -9.113 7.834 1.00 0.00 C ATOM 115 CE LYS A 29 8.256 -8.830 7.611 1.00 0.00 C ATOM 116 NZ LYS A 29 8.970 -8.761 8.906 1.00 0.00 N ATOM 0 H LYS A 29 5.584 -7.436 3.391 1.00 0.00 H new ATOM 0 HA LYS A 29 7.804 -8.490 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.680 -7.779 5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.836 -9.018 5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.256 -10.336 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.850 -10.520 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.246 -8.180 8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.645 -9.751 8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.692 -9.612 6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.377 -7.890 7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.978 -8.568 8.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.564 -7.999 9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.870 -9.667 9.406 1.00 0.00 H new ATOM 130 N LYS A 30 7.966 -10.843 4.247 1.00 0.00 N ATOM 131 CA LYS A 30 8.257 -12.133 3.646 1.00 0.00 C ATOM 132 C LYS A 30 7.076 -13.079 3.883 1.00 0.00 C ATOM 133 O LYS A 30 6.635 -13.254 5.018 1.00 0.00 O ATOM 134 CB LYS A 30 9.591 -12.676 4.162 1.00 0.00 C ATOM 135 CG LYS A 30 9.593 -12.768 5.689 1.00 0.00 C ATOM 136 CD LYS A 30 10.672 -11.866 6.291 1.00 0.00 C ATOM 137 CE LYS A 30 11.312 -12.521 7.516 1.00 0.00 C ATOM 138 NZ LYS A 30 12.776 -12.308 7.512 1.00 0.00 N ATOM 0 H LYS A 30 8.498 -10.636 5.092 1.00 0.00 H new ATOM 0 HA LYS A 30 8.375 -12.032 2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.776 -13.662 3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.403 -12.028 3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.616 -12.480 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.765 -13.800 5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.437 -11.659 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.235 -10.908 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.880 -12.104 8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.094 -13.589 7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.195 -12.759 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.185 -12.727 6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.978 -11.288 7.530 1.00 0.00 H new ATOM 152 N GLY A 31 6.599 -13.662 2.794 1.00 0.00 N ATOM 153 CA GLY A 31 5.479 -14.585 2.870 1.00 0.00 C ATOM 154 C GLY A 31 4.179 -13.906 2.428 1.00 0.00 C ATOM 155 O GLY A 31 3.356 -14.517 1.748 1.00 0.00 O ATOM 0 H GLY A 31 6.967 -13.514 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.674 -15.452 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.373 -14.951 3.891 1.00 0.00 H new ATOM 159 N PHE A 32 4.037 -12.653 2.835 1.00 0.00 N ATOM 160 CA PHE A 32 2.851 -11.887 2.490 1.00 0.00 C ATOM 161 C PHE A 32 2.533 -12.010 0.999 1.00 0.00 C ATOM 162 O PHE A 32 3.369 -12.457 0.216 1.00 0.00 O ATOM 163 CB PHE A 32 3.157 -10.423 2.815 1.00 0.00 C ATOM 164 CG PHE A 32 2.609 -9.958 4.166 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.987 -10.593 5.308 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.743 -8.911 4.224 1.00 0.00 C ATOM 167 CE1 PHE A 32 2.478 -10.161 6.561 1.00 0.00 C ATOM 168 CE2 PHE A 32 1.233 -8.480 5.477 1.00 0.00 C ATOM 169 CZ PHE A 32 1.612 -9.113 6.621 1.00 0.00 C ATOM 0 H PHE A 32 4.722 -12.150 3.399 1.00 0.00 H new ATOM 0 HA PHE A 32 1.992 -12.258 3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.237 -10.277 2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.741 -9.792 2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.674 -11.425 5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.443 -8.407 3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.779 -10.665 7.468 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.544 -7.650 5.523 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.226 -8.784 7.575 1.00 0.00 H new ATOM 179 N PRO A 33 1.289 -11.592 0.640 1.00 0.00 N ATOM 180 CA PRO A 33 0.850 -11.652 -0.743 1.00 0.00 C ATOM 181 C PRO A 33 1.498 -10.541 -1.572 1.00 0.00 C ATOM 182 O PRO A 33 1.511 -9.381 -1.163 1.00 0.00 O ATOM 183 CB PRO A 33 -0.664 -11.538 -0.680 1.00 0.00 C ATOM 184 CG PRO A 33 -0.982 -10.956 0.687 1.00 0.00 C ATOM 185 CD PRO A 33 0.272 -11.057 1.539 1.00 0.00 C ATOM 0 HA PRO A 33 1.147 -12.576 -1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.041 -10.895 -1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.135 -12.513 -0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.299 -9.917 0.595 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.804 -11.500 1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.563 -10.083 1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.117 -11.712 2.396 1.00 0.00 H new ATOM 193 N THR A 34 2.022 -10.935 -2.723 1.00 0.00 N ATOM 194 CA THR A 34 2.671 -9.987 -3.614 1.00 0.00 C ATOM 195 C THR A 34 2.219 -10.217 -5.058 1.00 0.00 C ATOM 196 O THR A 34 2.981 -9.982 -5.994 1.00 0.00 O ATOM 197 CB THR A 34 4.184 -10.118 -3.421 1.00 0.00 C ATOM 198 OG1 THR A 34 4.451 -11.489 -3.696 1.00 0.00 O ATOM 199 CG2 THR A 34 4.605 -9.939 -1.961 1.00 0.00 C ATOM 0 H THR A 34 2.011 -11.898 -3.060 1.00 0.00 H new ATOM 0 HA THR A 34 2.386 -8.962 -3.378 1.00 0.00 H new ATOM 0 HB THR A 34 4.695 -9.379 -4.038 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.410 -11.662 -3.596 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.687 -10.041 -1.879 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.307 -8.949 -1.615 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.121 -10.699 -1.347 1.00 0.00 H new ATOM 207 N ASP A 35 0.985 -10.677 -5.192 1.00 0.00 N ATOM 208 CA ASP A 35 0.423 -10.942 -6.507 1.00 0.00 C ATOM 209 C ASP A 35 -0.825 -10.079 -6.707 1.00 0.00 C ATOM 210 O ASP A 35 -1.533 -9.774 -5.749 1.00 0.00 O ATOM 211 CB ASP A 35 0.011 -12.409 -6.644 1.00 0.00 C ATOM 212 CG ASP A 35 0.417 -13.074 -7.960 1.00 0.00 C ATOM 213 OD1 ASP A 35 1.556 -12.806 -8.404 1.00 0.00 O ATOM 214 OD2 ASP A 35 -0.418 -13.836 -8.493 1.00 0.00 O ATOM 0 H ASP A 35 0.357 -10.873 -4.412 1.00 0.00 H new ATOM 0 HA ASP A 35 1.184 -10.710 -7.252 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.448 -12.972 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.072 -12.478 -6.538 1.00 0.00 H new ATOM 219 N TYR A 36 -1.055 -9.711 -7.958 1.00 0.00 N ATOM 220 CA TYR A 36 -2.206 -8.889 -8.297 1.00 0.00 C ATOM 221 C TYR A 36 -3.495 -9.495 -7.739 1.00 0.00 C ATOM 222 O TYR A 36 -4.253 -8.822 -7.043 1.00 0.00 O ATOM 223 CB TYR A 36 -2.280 -8.878 -9.824 1.00 0.00 C ATOM 224 CG TYR A 36 -1.424 -7.794 -10.481 1.00 0.00 C ATOM 225 CD1 TYR A 36 -0.047 -7.880 -10.434 1.00 0.00 C ATOM 226 CD2 TYR A 36 -2.026 -6.731 -11.121 1.00 0.00 C ATOM 227 CE1 TYR A 36 0.760 -6.860 -11.050 1.00 0.00 C ATOM 228 CE2 TYR A 36 -1.220 -5.711 -11.739 1.00 0.00 C ATOM 229 CZ TYR A 36 0.134 -5.826 -11.674 1.00 0.00 C ATOM 230 OH TYR A 36 0.896 -4.863 -12.258 1.00 0.00 O ATOM 0 H TYR A 36 -0.465 -9.966 -8.750 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.102 -7.889 -7.877 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.966 -9.852 -10.200 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.318 -8.739 -10.126 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.425 -8.713 -9.935 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.103 -6.664 -11.159 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.838 -6.914 -11.018 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.680 -4.874 -12.243 1.00 0.00 H new ATOM 0 HH TYR A 36 0.514 -4.627 -13.129 1.00 0.00 H new ATOM 240 N ASP A 37 -3.706 -10.763 -8.066 1.00 0.00 N ATOM 241 CA ASP A 37 -4.890 -11.469 -7.607 1.00 0.00 C ATOM 242 C ASP A 37 -4.865 -11.558 -6.080 1.00 0.00 C ATOM 243 O ASP A 37 -5.842 -11.212 -5.418 1.00 0.00 O ATOM 244 CB ASP A 37 -4.933 -12.893 -8.164 1.00 0.00 C ATOM 245 CG ASP A 37 -6.032 -13.150 -9.198 1.00 0.00 C ATOM 246 OD1 ASP A 37 -6.178 -12.291 -10.095 1.00 0.00 O ATOM 247 OD2 ASP A 37 -6.699 -14.197 -9.068 1.00 0.00 O ATOM 0 H ASP A 37 -3.076 -11.319 -8.644 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.766 -10.920 -7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.968 -13.119 -8.618 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.066 -13.588 -7.335 1.00 0.00 H new ATOM 252 N SER A 38 -3.737 -12.025 -5.565 1.00 0.00 N ATOM 253 CA SER A 38 -3.571 -12.164 -4.128 1.00 0.00 C ATOM 254 C SER A 38 -3.979 -10.868 -3.426 1.00 0.00 C ATOM 255 O SER A 38 -4.790 -10.887 -2.501 1.00 0.00 O ATOM 256 CB SER A 38 -2.129 -12.530 -3.773 1.00 0.00 C ATOM 257 OG SER A 38 -1.912 -13.938 -3.802 1.00 0.00 O ATOM 0 H SER A 38 -2.929 -12.312 -6.117 1.00 0.00 H new ATOM 0 HA SER A 38 -4.217 -12.973 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.449 -12.044 -4.473 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.892 -12.147 -2.780 1.00 0.00 H new ATOM 0 HG SER A 38 -0.979 -14.130 -3.571 1.00 0.00 H new ATOM 263 N ILE A 39 -3.397 -9.772 -3.891 1.00 0.00 N ATOM 264 CA ILE A 39 -3.690 -8.469 -3.320 1.00 0.00 C ATOM 265 C ILE A 39 -5.119 -8.065 -3.685 1.00 0.00 C ATOM 266 O ILE A 39 -5.815 -7.441 -2.886 1.00 0.00 O ATOM 267 CB ILE A 39 -2.635 -7.446 -3.747 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.292 -7.730 -3.070 1.00 0.00 C ATOM 269 CG2 ILE A 39 -3.117 -6.019 -3.486 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.151 -7.006 -3.789 1.00 0.00 C ATOM 0 H ILE A 39 -2.724 -9.760 -4.657 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.638 -8.512 -2.232 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.482 -7.542 -4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.331 -7.411 -2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.102 -8.803 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.348 -5.312 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.031 -5.835 -4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.316 -5.891 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.792 -7.225 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.099 -7.346 -4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.332 -5.931 -3.769 1.00 0.00 H new ATOM 282 N LYS A 40 -5.515 -8.438 -4.893 1.00 0.00 N ATOM 283 CA LYS A 40 -6.849 -8.123 -5.375 1.00 0.00 C ATOM 284 C LYS A 40 -7.882 -8.613 -4.359 1.00 0.00 C ATOM 285 O LYS A 40 -8.901 -7.958 -4.138 1.00 0.00 O ATOM 286 CB LYS A 40 -7.058 -8.685 -6.783 1.00 0.00 C ATOM 287 CG LYS A 40 -8.480 -8.415 -7.276 1.00 0.00 C ATOM 288 CD LYS A 40 -9.007 -9.591 -8.101 1.00 0.00 C ATOM 289 CE LYS A 40 -8.449 -9.556 -9.524 1.00 0.00 C ATOM 290 NZ LYS A 40 -9.457 -10.052 -10.489 1.00 0.00 N ATOM 0 H LYS A 40 -4.935 -8.956 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.976 -7.044 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.340 -8.234 -7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.867 -9.758 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.137 -8.240 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.493 -7.508 -7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.730 -10.530 -7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.096 -9.558 -8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.160 -8.537 -9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.549 -10.168 -9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.062 -10.021 -11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.713 -11.031 -10.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.305 -9.452 -10.444 1.00 0.00 H new ATOM 304 N ARG A 41 -7.585 -9.760 -3.767 1.00 0.00 N ATOM 305 CA ARG A 41 -8.476 -10.346 -2.779 1.00 0.00 C ATOM 306 C ARG A 41 -8.336 -9.617 -1.442 1.00 0.00 C ATOM 307 O ARG A 41 -9.318 -9.444 -0.719 1.00 0.00 O ATOM 308 CB ARG A 41 -8.173 -11.832 -2.576 1.00 0.00 C ATOM 309 CG ARG A 41 -8.835 -12.680 -3.664 1.00 0.00 C ATOM 310 CD ARG A 41 -7.919 -12.826 -4.880 1.00 0.00 C ATOM 311 NE ARG A 41 -8.323 -14.002 -5.680 1.00 0.00 N ATOM 312 CZ ARG A 41 -9.414 -14.043 -6.458 1.00 0.00 C ATOM 313 NH1 ARG A 41 -10.216 -12.974 -6.544 1.00 0.00 N ATOM 314 NH2 ARG A 41 -9.702 -15.156 -7.149 1.00 0.00 N ATOM 0 H ARG A 41 -6.740 -10.300 -3.952 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.496 -10.243 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.095 -11.992 -2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.529 -12.149 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.076 -13.666 -3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.776 -12.220 -3.966 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.968 -11.925 -5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.884 -12.935 -4.555 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.735 -14.834 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.997 -12.128 -6.018 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.046 -13.005 -7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.091 -15.970 -7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.532 -15.188 -7.741 1.00 0.00 H new ATOM 328 N LYS A 42 -7.110 -9.208 -1.152 1.00 0.00 N ATOM 329 CA LYS A 42 -6.830 -8.502 0.086 1.00 0.00 C ATOM 330 C LYS A 42 -7.553 -7.153 0.075 1.00 0.00 C ATOM 331 O LYS A 42 -8.077 -6.717 1.098 1.00 0.00 O ATOM 332 CB LYS A 42 -5.322 -8.388 0.310 1.00 0.00 C ATOM 333 CG LYS A 42 -4.956 -8.688 1.766 1.00 0.00 C ATOM 334 CD LYS A 42 -4.446 -10.122 1.919 1.00 0.00 C ATOM 335 CE LYS A 42 -4.046 -10.411 3.368 1.00 0.00 C ATOM 336 NZ LYS A 42 -2.575 -10.393 3.511 1.00 0.00 N ATOM 0 H LYS A 42 -6.299 -9.352 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.214 -9.063 0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.800 -9.081 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.987 -7.385 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.192 -7.988 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.828 -8.539 2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.220 -10.822 1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.589 -10.279 1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.491 -9.668 4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.435 -11.383 3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.324 -10.150 4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.192 -11.332 3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.172 -9.685 2.865 1.00 0.00 H new ATOM 350 N ILE A 43 -7.558 -6.532 -1.095 1.00 0.00 N ATOM 351 CA ILE A 43 -8.208 -5.242 -1.254 1.00 0.00 C ATOM 352 C ILE A 43 -9.703 -5.389 -0.967 1.00 0.00 C ATOM 353 O ILE A 43 -10.263 -4.635 -0.173 1.00 0.00 O ATOM 354 CB ILE A 43 -7.902 -4.655 -2.635 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.403 -4.394 -2.799 1.00 0.00 C ATOM 356 CG2 ILE A 43 -8.733 -3.397 -2.891 1.00 0.00 C ATOM 357 CD1 ILE A 43 -5.968 -4.598 -4.252 1.00 0.00 C ATOM 0 H ILE A 43 -7.123 -6.898 -1.942 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.814 -4.526 -0.533 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.186 -5.389 -3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.171 -3.376 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.840 -5.064 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.497 -3.000 -3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.793 -3.645 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.502 -2.648 -2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.899 -4.406 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.180 -5.624 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.515 -3.909 -4.896 1.00 0.00 H new ATOM 369 N SER A 44 -10.306 -6.366 -1.628 1.00 0.00 N ATOM 370 CA SER A 44 -11.725 -6.622 -1.454 1.00 0.00 C ATOM 371 C SER A 44 -11.984 -7.210 -0.065 1.00 0.00 C ATOM 372 O SER A 44 -13.012 -6.929 0.551 1.00 0.00 O ATOM 373 CB SER A 44 -12.253 -7.568 -2.535 1.00 0.00 C ATOM 374 OG SER A 44 -13.548 -7.188 -2.991 1.00 0.00 O ATOM 0 H SER A 44 -9.837 -6.990 -2.285 1.00 0.00 H new ATOM 0 HA SER A 44 -12.256 -5.675 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.561 -7.579 -3.377 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.291 -8.584 -2.141 1.00 0.00 H new ATOM 0 HG SER A 44 -13.849 -7.815 -3.681 1.00 0.00 H new ATOM 380 N GLU A 45 -11.034 -8.016 0.388 1.00 0.00 N ATOM 381 CA GLU A 45 -11.147 -8.646 1.693 1.00 0.00 C ATOM 382 C GLU A 45 -11.098 -7.589 2.798 1.00 0.00 C ATOM 383 O GLU A 45 -11.549 -7.832 3.916 1.00 0.00 O ATOM 384 CB GLU A 45 -10.054 -9.697 1.890 1.00 0.00 C ATOM 385 CG GLU A 45 -10.454 -11.031 1.255 1.00 0.00 C ATOM 386 CD GLU A 45 -10.401 -12.165 2.281 1.00 0.00 C ATOM 387 OE1 GLU A 45 -9.269 -12.514 2.683 1.00 0.00 O ATOM 388 OE2 GLU A 45 -11.493 -12.657 2.640 1.00 0.00 O ATOM 0 H GLU A 45 -10.183 -8.247 -0.125 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.109 -9.156 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.122 -9.345 1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.868 -9.838 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.461 -10.955 0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.786 -11.257 0.424 1.00 0.00 H new ATOM 395 N LEU A 46 -10.543 -6.437 2.448 1.00 0.00 N ATOM 396 CA LEU A 46 -10.428 -5.343 3.395 1.00 0.00 C ATOM 397 C LEU A 46 -11.699 -4.492 3.343 1.00 0.00 C ATOM 398 O LEU A 46 -12.042 -3.820 4.315 1.00 0.00 O ATOM 399 CB LEU A 46 -9.145 -4.548 3.145 1.00 0.00 C ATOM 400 CG LEU A 46 -9.300 -3.264 2.328 1.00 0.00 C ATOM 401 CD1 LEU A 46 -9.456 -2.048 3.243 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.141 -3.097 1.343 1.00 0.00 C ATOM 0 H LEU A 46 -10.168 -6.239 1.520 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.343 -5.728 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.707 -4.291 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.433 -5.196 2.634 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.213 -3.342 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.564 -1.148 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.340 -2.174 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.574 -1.954 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.276 -2.177 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.201 -3.050 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.120 -3.945 0.659 1.00 0.00 H new ATOM 414 N GLY A 47 -12.362 -4.548 2.197 1.00 0.00 N ATOM 415 CA GLY A 47 -13.587 -3.791 2.005 1.00 0.00 C ATOM 416 C GLY A 47 -13.397 -2.699 0.951 1.00 0.00 C ATOM 417 O GLY A 47 -14.092 -1.684 0.969 1.00 0.00 O ATOM 0 H GLY A 47 -12.074 -5.105 1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.389 -4.462 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.892 -3.341 2.950 1.00 0.00 H new ATOM 421 N PHE A 48 -12.450 -2.943 0.056 1.00 0.00 N ATOM 422 CA PHE A 48 -12.160 -1.993 -1.005 1.00 0.00 C ATOM 423 C PHE A 48 -12.421 -2.610 -2.380 1.00 0.00 C ATOM 424 O PHE A 48 -12.820 -3.768 -2.479 1.00 0.00 O ATOM 425 CB PHE A 48 -10.676 -1.637 -0.893 1.00 0.00 C ATOM 426 CG PHE A 48 -10.338 -0.744 0.303 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.338 -0.182 1.037 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.041 -0.513 0.635 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.025 0.646 2.146 1.00 0.00 C ATOM 430 CE2 PHE A 48 -8.726 0.316 1.745 1.00 0.00 C ATOM 431 CZ PHE A 48 -9.726 0.877 2.477 1.00 0.00 C ATOM 0 H PHE A 48 -11.874 -3.785 0.044 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.798 -1.115 -0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.097 -2.557 -0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.364 -1.134 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.369 -0.367 0.775 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.248 -0.960 0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.818 1.093 2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.695 0.500 2.007 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.488 1.506 3.322 1.00 0.00 H new ATOM 441 N ASP A 49 -12.186 -1.806 -3.407 1.00 0.00 N ATOM 442 CA ASP A 49 -12.391 -2.258 -4.773 1.00 0.00 C ATOM 443 C ASP A 49 -11.059 -2.218 -5.524 1.00 0.00 C ATOM 444 O ASP A 49 -10.118 -1.557 -5.091 1.00 0.00 O ATOM 445 CB ASP A 49 -13.378 -1.351 -5.511 1.00 0.00 C ATOM 446 CG ASP A 49 -14.703 -2.012 -5.894 1.00 0.00 C ATOM 447 OD1 ASP A 49 -15.140 -2.895 -5.124 1.00 0.00 O ATOM 448 OD2 ASP A 49 -15.250 -1.619 -6.946 1.00 0.00 O ATOM 0 H ASP A 49 -11.856 -0.845 -3.321 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.791 -3.271 -4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.590 -0.484 -4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.899 -0.980 -6.417 1.00 0.00 H new ATOM 453 N VAL A 50 -11.023 -2.936 -6.638 1.00 0.00 N ATOM 454 CA VAL A 50 -9.822 -2.991 -7.453 1.00 0.00 C ATOM 455 C VAL A 50 -10.214 -2.985 -8.931 1.00 0.00 C ATOM 456 O VAL A 50 -11.023 -3.803 -9.367 1.00 0.00 O ATOM 457 CB VAL A 50 -8.979 -4.209 -7.063 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.858 -5.450 -6.894 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.869 -4.457 -8.086 1.00 0.00 C ATOM 0 H VAL A 50 -11.806 -3.484 -6.994 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.201 -2.113 -7.277 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.508 -3.999 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.236 -6.301 -6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.596 -5.270 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.369 -5.664 -7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.285 -5.327 -7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.311 -4.637 -9.066 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.219 -3.584 -8.136 1.00 0.00 H new ATOM 469 N LYS A 51 -9.622 -2.053 -9.664 1.00 0.00 N ATOM 470 CA LYS A 51 -9.899 -1.929 -11.085 1.00 0.00 C ATOM 471 C LYS A 51 -8.640 -2.286 -11.879 1.00 0.00 C ATOM 472 O LYS A 51 -7.527 -1.989 -11.450 1.00 0.00 O ATOM 473 CB LYS A 51 -10.454 -0.539 -11.404 1.00 0.00 C ATOM 474 CG LYS A 51 -11.551 -0.147 -10.413 1.00 0.00 C ATOM 475 CD LYS A 51 -12.803 -1.003 -10.614 1.00 0.00 C ATOM 476 CE LYS A 51 -13.882 -0.228 -11.371 1.00 0.00 C ATOM 477 NZ LYS A 51 -14.474 0.817 -10.506 1.00 0.00 N ATOM 0 H LYS A 51 -8.951 -1.376 -9.300 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.675 -2.633 -11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.649 0.195 -11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.854 -0.527 -12.418 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.184 -0.266 -9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.802 0.906 -10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.545 -1.907 -11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.190 -1.320 -9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.452 0.230 -12.262 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.660 -0.912 -11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.393 1.111 -10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.610 0.438 -9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.836 1.638 -10.467 1.00 0.00 H new ATOM 491 N SER A 52 -8.860 -2.919 -13.023 1.00 0.00 N ATOM 492 CA SER A 52 -7.758 -3.320 -13.880 1.00 0.00 C ATOM 493 C SER A 52 -7.638 -2.356 -15.063 1.00 0.00 C ATOM 494 O SER A 52 -8.493 -2.344 -15.947 1.00 0.00 O ATOM 495 CB SER A 52 -7.942 -4.753 -14.380 1.00 0.00 C ATOM 496 OG SER A 52 -7.405 -5.710 -13.470 1.00 0.00 O ATOM 0 H SER A 52 -9.785 -3.164 -13.376 1.00 0.00 H new ATOM 0 HA SER A 52 -6.839 -3.284 -13.295 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.003 -4.951 -14.530 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.457 -4.863 -15.350 1.00 0.00 H new ATOM 0 HG SER A 52 -7.544 -6.613 -13.825 1.00 0.00 H new ATOM 502 N GLU A 53 -6.570 -1.571 -15.039 1.00 0.00 N ATOM 503 CA GLU A 53 -6.328 -0.607 -16.099 1.00 0.00 C ATOM 504 C GLU A 53 -5.100 -1.014 -16.917 1.00 0.00 C ATOM 505 O GLU A 53 -3.980 -0.624 -16.597 1.00 0.00 O ATOM 506 CB GLU A 53 -6.162 0.804 -15.529 1.00 0.00 C ATOM 507 CG GLU A 53 -7.347 1.692 -15.915 1.00 0.00 C ATOM 508 CD GLU A 53 -6.883 3.116 -16.232 1.00 0.00 C ATOM 509 OE1 GLU A 53 -6.403 3.317 -17.369 1.00 0.00 O ATOM 510 OE2 GLU A 53 -7.021 3.971 -15.331 1.00 0.00 O ATOM 0 H GLU A 53 -5.864 -1.583 -14.303 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.195 -0.598 -16.760 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.078 0.754 -14.443 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.237 1.244 -15.900 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.856 1.270 -16.782 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.071 1.714 -15.100 1.00 0.00 H new ATOM 517 N GLY A 54 -5.355 -1.795 -17.957 1.00 0.00 N ATOM 518 CA GLY A 54 -4.285 -2.261 -18.823 1.00 0.00 C ATOM 519 C GLY A 54 -3.497 -3.393 -18.162 1.00 0.00 C ATOM 520 O GLY A 54 -4.007 -4.502 -18.008 1.00 0.00 O ATOM 0 H GLY A 54 -6.287 -2.117 -18.219 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.703 -2.608 -19.768 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.614 -1.434 -19.055 1.00 0.00 H new ATOM 524 N ASP A 55 -2.267 -3.075 -17.787 1.00 0.00 N ATOM 525 CA ASP A 55 -1.402 -4.050 -17.146 1.00 0.00 C ATOM 526 C ASP A 55 -1.107 -3.601 -15.714 1.00 0.00 C ATOM 527 O ASP A 55 -0.428 -4.304 -14.966 1.00 0.00 O ATOM 528 CB ASP A 55 -0.070 -4.178 -17.887 1.00 0.00 C ATOM 529 CG ASP A 55 -0.145 -4.894 -19.237 1.00 0.00 C ATOM 530 OD1 ASP A 55 -0.822 -5.944 -19.285 1.00 0.00 O ATOM 531 OD2 ASP A 55 0.475 -4.376 -20.189 1.00 0.00 O ATOM 0 H ASP A 55 -1.848 -2.154 -17.915 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.913 -5.013 -17.158 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.338 -3.180 -18.045 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.633 -4.712 -17.248 1.00 0.00 H new ATOM 536 N LEU A 56 -1.629 -2.432 -15.375 1.00 0.00 N ATOM 537 CA LEU A 56 -1.431 -1.881 -14.045 1.00 0.00 C ATOM 538 C LEU A 56 -2.651 -2.197 -13.178 1.00 0.00 C ATOM 539 O LEU A 56 -3.724 -2.500 -13.698 1.00 0.00 O ATOM 540 CB LEU A 56 -1.106 -0.388 -14.128 1.00 0.00 C ATOM 541 CG LEU A 56 0.093 -0.010 -15.001 1.00 0.00 C ATOM 542 CD1 LEU A 56 0.835 1.195 -14.420 1.00 0.00 C ATOM 543 CD2 LEU A 56 1.020 -1.209 -15.208 1.00 0.00 C ATOM 0 H LEU A 56 -2.189 -1.851 -15.998 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.570 -2.346 -13.565 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.985 0.134 -14.506 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.926 -0.019 -13.118 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.278 0.283 -15.983 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.682 1.443 -15.059 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.158 2.048 -14.367 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.194 0.954 -13.419 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.864 -0.913 -15.832 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.387 -1.556 -14.242 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.471 -2.013 -15.698 1.00 0.00 H new ATOM 555 N ILE A 57 -2.445 -2.116 -11.872 1.00 0.00 N ATOM 556 CA ILE A 57 -3.516 -2.390 -10.927 1.00 0.00 C ATOM 557 C ILE A 57 -3.937 -1.085 -10.249 1.00 0.00 C ATOM 558 O ILE A 57 -3.091 -0.276 -9.873 1.00 0.00 O ATOM 559 CB ILE A 57 -3.096 -3.486 -9.946 1.00 0.00 C ATOM 560 CG1 ILE A 57 -4.268 -4.418 -9.630 1.00 0.00 C ATOM 561 CG2 ILE A 57 -2.487 -2.883 -8.679 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.919 -5.370 -8.485 1.00 0.00 C ATOM 0 H ILE A 57 -1.553 -1.865 -11.445 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.393 -2.777 -11.445 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.322 -4.090 -10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.144 -3.828 -9.362 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.530 -4.993 -10.518 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.197 -3.683 -7.998 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.608 -2.294 -8.942 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.221 -2.241 -8.192 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.769 -6.021 -8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.057 -5.976 -8.765 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.682 -4.793 -7.591 1.00 0.00 H new ATOM 574 N ILE A 58 -5.246 -0.923 -10.114 1.00 0.00 N ATOM 575 CA ILE A 58 -5.790 0.270 -9.487 1.00 0.00 C ATOM 576 C ILE A 58 -6.534 -0.125 -8.209 1.00 0.00 C ATOM 577 O ILE A 58 -7.345 -1.049 -8.219 1.00 0.00 O ATOM 578 CB ILE A 58 -6.651 1.052 -10.481 1.00 0.00 C ATOM 579 CG1 ILE A 58 -5.904 1.271 -11.798 1.00 0.00 C ATOM 580 CG2 ILE A 58 -7.134 2.370 -9.871 1.00 0.00 C ATOM 581 CD1 ILE A 58 -4.719 2.220 -11.607 1.00 0.00 C ATOM 0 H ILE A 58 -5.944 -1.597 -10.428 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.987 0.946 -9.194 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.537 0.458 -10.707 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.550 0.314 -12.182 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.586 1.681 -12.543 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.744 2.906 -10.599 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.729 2.163 -8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.274 2.981 -9.598 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.206 2.358 -12.559 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.079 3.183 -11.246 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.027 1.796 -10.880 1.00 0.00 H new ATOM 593 N ALA A 59 -6.230 0.596 -7.139 1.00 0.00 N ATOM 594 CA ALA A 59 -6.859 0.333 -5.857 1.00 0.00 C ATOM 595 C ALA A 59 -7.982 1.345 -5.627 1.00 0.00 C ATOM 596 O ALA A 59 -7.866 2.506 -6.018 1.00 0.00 O ATOM 597 CB ALA A 59 -5.801 0.375 -4.751 1.00 0.00 C ATOM 0 H ALA A 59 -5.556 1.362 -7.135 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.304 -0.662 -5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.273 0.178 -3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.042 -0.382 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.334 1.360 -4.731 1.00 0.00 H new ATOM 603 N SER A 60 -9.044 0.869 -4.993 1.00 0.00 N ATOM 604 CA SER A 60 -10.188 1.718 -4.706 1.00 0.00 C ATOM 605 C SER A 60 -10.346 1.892 -3.195 1.00 0.00 C ATOM 606 O SER A 60 -10.843 0.996 -2.513 1.00 0.00 O ATOM 607 CB SER A 60 -11.469 1.140 -5.312 1.00 0.00 C ATOM 608 OG SER A 60 -12.070 2.033 -6.245 1.00 0.00 O ATOM 0 H SER A 60 -9.136 -0.094 -4.670 1.00 0.00 H new ATOM 0 HA SER A 60 -10.012 2.693 -5.160 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.241 0.197 -5.809 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.178 0.917 -4.515 1.00 0.00 H new ATOM 0 HG SER A 60 -12.883 1.626 -6.610 1.00 0.00 H new ATOM 614 N ILE A 61 -9.914 3.049 -2.717 1.00 0.00 N ATOM 615 CA ILE A 61 -9.999 3.350 -1.297 1.00 0.00 C ATOM 616 C ILE A 61 -10.732 4.681 -1.108 1.00 0.00 C ATOM 617 O ILE A 61 -10.711 5.537 -1.991 1.00 0.00 O ATOM 618 CB ILE A 61 -8.612 3.314 -0.656 1.00 0.00 C ATOM 619 CG1 ILE A 61 -7.830 4.593 -0.966 1.00 0.00 C ATOM 620 CG2 ILE A 61 -7.846 2.059 -1.076 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.576 4.695 -0.095 1.00 0.00 C ATOM 0 H ILE A 61 -9.504 3.789 -3.287 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.581 2.587 -0.779 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.738 3.268 0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.548 4.604 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.466 5.462 -0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.863 2.059 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.399 1.173 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.730 2.049 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.039 5.613 -0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.863 4.708 0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.931 3.837 -0.284 1.00 0.00 H new ATOM 633 N PRO A 62 -11.377 4.817 0.081 1.00 0.00 N ATOM 634 CA PRO A 62 -12.113 6.029 0.399 1.00 0.00 C ATOM 635 C PRO A 62 -11.160 7.174 0.747 1.00 0.00 C ATOM 636 O PRO A 62 -10.204 6.985 1.495 1.00 0.00 O ATOM 637 CB PRO A 62 -13.025 5.645 1.553 1.00 0.00 C ATOM 638 CG PRO A 62 -12.438 4.373 2.142 1.00 0.00 C ATOM 639 CD PRO A 62 -11.424 3.825 1.151 1.00 0.00 C ATOM 0 HA PRO A 62 -12.695 6.401 -0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.066 6.438 2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.045 5.480 1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.962 4.581 3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.224 3.641 2.329 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.446 3.697 1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.728 2.849 0.773 1.00 0.00 H new ATOM 647 N GLY A 63 -11.454 8.337 0.185 1.00 0.00 N ATOM 648 CA GLY A 63 -10.637 9.514 0.426 1.00 0.00 C ATOM 649 C GLY A 63 -9.667 9.754 -0.735 1.00 0.00 C ATOM 650 O GLY A 63 -9.229 10.882 -0.959 1.00 0.00 O ATOM 0 H GLY A 63 -12.248 8.489 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.278 10.386 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.077 9.389 1.353 1.00 0.00 H new ATOM 654 N ILE A 64 -9.362 8.677 -1.442 1.00 0.00 N ATOM 655 CA ILE A 64 -8.453 8.756 -2.572 1.00 0.00 C ATOM 656 C ILE A 64 -9.249 8.621 -3.872 1.00 0.00 C ATOM 657 O ILE A 64 -10.378 8.135 -3.863 1.00 0.00 O ATOM 658 CB ILE A 64 -7.329 7.726 -2.429 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.435 8.053 -1.233 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.529 7.606 -3.729 1.00 0.00 C ATOM 661 CD1 ILE A 64 -5.139 7.240 -1.279 1.00 0.00 C ATOM 0 H ILE A 64 -9.729 7.744 -1.254 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.962 9.729 -2.598 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.779 6.752 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.201 9.118 -1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.969 7.841 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.737 6.868 -3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.191 7.292 -4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.089 8.572 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.521 7.491 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.376 6.176 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.596 7.473 -2.195 1.00 0.00 H new ATOM 673 N SER A 65 -8.629 9.061 -4.957 1.00 0.00 N ATOM 674 CA SER A 65 -9.267 8.996 -6.261 1.00 0.00 C ATOM 675 C SER A 65 -8.824 7.730 -6.998 1.00 0.00 C ATOM 676 O SER A 65 -9.643 6.863 -7.296 1.00 0.00 O ATOM 677 CB SER A 65 -8.941 10.236 -7.094 1.00 0.00 C ATOM 678 OG SER A 65 -10.118 10.929 -7.504 1.00 0.00 O ATOM 0 H SER A 65 -7.692 9.464 -4.960 1.00 0.00 H new ATOM 0 HA SER A 65 -10.346 8.963 -6.113 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.309 10.907 -6.513 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.369 9.942 -7.974 1.00 0.00 H new ATOM 0 HG SER A 65 -9.867 11.716 -8.032 1.00 0.00 H new ATOM 684 N ARG A 66 -7.528 7.665 -7.268 1.00 0.00 N ATOM 685 CA ARG A 66 -6.966 6.519 -7.963 1.00 0.00 C ATOM 686 C ARG A 66 -5.481 6.370 -7.626 1.00 0.00 C ATOM 687 O ARG A 66 -4.760 7.362 -7.534 1.00 0.00 O ATOM 688 CB ARG A 66 -7.127 6.662 -9.478 1.00 0.00 C ATOM 689 CG ARG A 66 -8.572 6.391 -9.903 1.00 0.00 C ATOM 690 CD ARG A 66 -8.621 5.657 -11.245 1.00 0.00 C ATOM 691 NE ARG A 66 -9.915 5.912 -11.915 1.00 0.00 N ATOM 692 CZ ARG A 66 -10.191 5.559 -13.178 1.00 0.00 C ATOM 693 NH1 ARG A 66 -9.264 4.933 -13.915 1.00 0.00 N ATOM 694 NH2 ARG A 66 -11.393 5.831 -13.703 1.00 0.00 N ATOM 0 H ARG A 66 -6.852 8.387 -7.018 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.507 5.632 -7.633 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.836 7.667 -9.785 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.458 5.967 -9.986 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.073 5.795 -9.140 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.115 7.333 -9.980 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.801 5.990 -11.881 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.488 4.587 -11.088 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.644 6.387 -11.382 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.349 4.725 -13.515 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.473 4.664 -14.876 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.099 6.307 -13.141 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.602 5.562 -14.664 1.00 0.00 H new ATOM 708 N ILE A 67 -5.068 5.123 -7.454 1.00 0.00 N ATOM 709 CA ILE A 67 -3.682 4.831 -7.130 1.00 0.00 C ATOM 710 C ILE A 67 -3.248 3.560 -7.863 1.00 0.00 C ATOM 711 O ILE A 67 -4.055 2.658 -8.079 1.00 0.00 O ATOM 712 CB ILE A 67 -3.489 4.763 -5.614 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.381 3.683 -4.996 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.716 6.132 -4.971 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.706 4.276 -4.514 1.00 0.00 C ATOM 0 H ILE A 67 -5.669 4.303 -7.533 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.033 5.636 -7.475 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.456 4.481 -5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.574 2.902 -5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.863 3.213 -4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.573 6.056 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.005 6.849 -5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.732 6.468 -5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.321 3.488 -4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.510 5.040 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.232 4.723 -5.357 1.00 0.00 H new ATOM 727 N GLU A 68 -1.974 3.531 -8.226 1.00 0.00 N ATOM 728 CA GLU A 68 -1.423 2.385 -8.929 1.00 0.00 C ATOM 729 C GLU A 68 -0.563 1.544 -7.984 1.00 0.00 C ATOM 730 O GLU A 68 0.230 2.083 -7.215 1.00 0.00 O ATOM 731 CB GLU A 68 -0.618 2.829 -10.153 1.00 0.00 C ATOM 732 CG GLU A 68 -1.451 2.704 -11.431 1.00 0.00 C ATOM 733 CD GLU A 68 -0.853 3.546 -12.560 1.00 0.00 C ATOM 734 OE1 GLU A 68 0.391 3.657 -12.587 1.00 0.00 O ATOM 735 OE2 GLU A 68 -1.655 4.061 -13.369 1.00 0.00 O ATOM 0 H GLU A 68 -1.308 4.282 -8.047 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.250 1.768 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.294 3.862 -10.025 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.283 2.221 -10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.498 1.659 -11.738 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.474 3.025 -11.235 1.00 0.00 H new ATOM 742 N ILE A 69 -0.749 0.235 -8.073 1.00 0.00 N ATOM 743 CA ILE A 69 -0.002 -0.686 -7.235 1.00 0.00 C ATOM 744 C ILE A 69 0.866 -1.584 -8.119 1.00 0.00 C ATOM 745 O ILE A 69 0.444 -1.990 -9.201 1.00 0.00 O ATOM 746 CB ILE A 69 -0.945 -1.459 -6.312 1.00 0.00 C ATOM 747 CG1 ILE A 69 -2.297 -0.753 -6.195 1.00 0.00 C ATOM 748 CG2 ILE A 69 -0.303 -1.697 -4.945 1.00 0.00 C ATOM 749 CD1 ILE A 69 -2.162 0.568 -5.434 1.00 0.00 C ATOM 0 H ILE A 69 -1.407 -0.209 -8.713 1.00 0.00 H new ATOM 0 HA ILE A 69 0.672 -0.138 -6.576 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.129 -2.438 -6.755 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.700 -0.564 -7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.007 -1.402 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.995 -2.249 -4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.614 -2.274 -5.069 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.069 -0.739 -4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.137 1.050 -5.365 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.782 0.373 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.470 1.224 -5.963 1.00 0.00 H new ATOM 761 N LYS A 70 2.062 -1.869 -7.626 1.00 0.00 N ATOM 762 CA LYS A 70 2.992 -2.711 -8.359 1.00 0.00 C ATOM 763 C LYS A 70 3.701 -3.650 -7.381 1.00 0.00 C ATOM 764 O LYS A 70 4.762 -3.319 -6.855 1.00 0.00 O ATOM 765 CB LYS A 70 3.949 -1.855 -9.193 1.00 0.00 C ATOM 766 CG LYS A 70 3.561 -1.882 -10.671 1.00 0.00 C ATOM 767 CD LYS A 70 2.584 -0.752 -11.003 1.00 0.00 C ATOM 768 CE LYS A 70 3.330 0.564 -11.240 1.00 0.00 C ATOM 769 NZ LYS A 70 2.438 1.717 -10.981 1.00 0.00 N ATOM 0 H LYS A 70 2.409 -1.532 -6.728 1.00 0.00 H new ATOM 0 HA LYS A 70 2.457 -3.337 -9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.935 -0.828 -8.828 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.968 -2.222 -9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.455 -1.787 -11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.107 -2.843 -10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.008 -1.013 -11.891 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.873 -0.629 -10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.202 0.617 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.696 0.602 -12.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.843 2.573 -11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.502 1.532 -11.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.341 1.857 -9.955 1.00 0.00 H new ATOM 783 N PRO A 71 3.069 -4.836 -7.162 1.00 0.00 N ATOM 784 CA PRO A 71 3.628 -5.825 -6.257 1.00 0.00 C ATOM 785 C PRO A 71 4.820 -6.540 -6.894 1.00 0.00 C ATOM 786 O PRO A 71 4.756 -6.951 -8.052 1.00 0.00 O ATOM 787 CB PRO A 71 2.475 -6.762 -5.937 1.00 0.00 C ATOM 788 CG PRO A 71 1.442 -6.539 -7.032 1.00 0.00 C ATOM 789 CD PRO A 71 1.811 -5.260 -7.767 1.00 0.00 C ATOM 0 HA PRO A 71 4.028 -5.382 -5.345 1.00 0.00 H new ATOM 0 HB2 PRO A 71 2.808 -7.800 -5.919 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.056 -6.545 -4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.427 -7.384 -7.720 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.443 -6.459 -6.604 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.925 -5.437 -8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.039 -4.499 -7.650 1.00 0.00 H new ATOM 797 N ASP A 72 5.881 -6.667 -6.110 1.00 0.00 N ATOM 798 CA ASP A 72 7.088 -7.325 -6.585 1.00 0.00 C ATOM 799 C ASP A 72 7.688 -8.157 -5.451 1.00 0.00 C ATOM 800 O ASP A 72 7.537 -7.816 -4.279 1.00 0.00 O ATOM 801 CB ASP A 72 8.135 -6.302 -7.028 1.00 0.00 C ATOM 802 CG ASP A 72 8.744 -6.558 -8.408 1.00 0.00 C ATOM 803 OD1 ASP A 72 7.981 -6.456 -9.393 1.00 0.00 O ATOM 804 OD2 ASP A 72 9.959 -6.849 -8.447 1.00 0.00 O ATOM 0 H ASP A 72 5.930 -6.326 -5.150 1.00 0.00 H new ATOM 0 HA ASP A 72 6.819 -7.954 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.678 -5.313 -7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.938 -6.283 -6.291 1.00 0.00 H new ATOM 809 N LYS A 73 8.357 -9.233 -5.838 1.00 0.00 N ATOM 810 CA LYS A 73 8.982 -10.116 -4.869 1.00 0.00 C ATOM 811 C LYS A 73 9.972 -9.315 -4.018 1.00 0.00 C ATOM 812 O LYS A 73 10.101 -9.555 -2.819 1.00 0.00 O ATOM 813 CB LYS A 73 9.609 -11.324 -5.569 1.00 0.00 C ATOM 814 CG LYS A 73 8.542 -12.351 -5.951 1.00 0.00 C ATOM 815 CD LYS A 73 7.618 -11.804 -7.039 1.00 0.00 C ATOM 816 CE LYS A 73 6.642 -12.880 -7.522 1.00 0.00 C ATOM 817 NZ LYS A 73 5.879 -12.397 -8.694 1.00 0.00 N ATOM 0 H LYS A 73 8.480 -9.513 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 73 8.234 -10.524 -4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.140 -10.996 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.346 -11.787 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.021 -13.265 -6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.956 -12.616 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.061 -10.950 -6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.212 -11.444 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.190 -13.785 -7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.956 -13.145 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.221 -13.138 -9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.342 -11.546 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.537 -12.167 -9.466 1.00 0.00 H new ATOM 831 N ARG A 74 10.642 -8.381 -4.675 1.00 0.00 N ATOM 832 CA ARG A 74 11.617 -7.542 -3.995 1.00 0.00 C ATOM 833 C ARG A 74 10.914 -6.599 -3.017 1.00 0.00 C ATOM 834 O ARG A 74 11.112 -6.694 -1.806 1.00 0.00 O ATOM 835 CB ARG A 74 12.428 -6.717 -4.995 1.00 0.00 C ATOM 836 CG ARG A 74 13.130 -7.622 -6.010 1.00 0.00 C ATOM 837 CD ARG A 74 14.354 -6.926 -6.609 1.00 0.00 C ATOM 838 NE ARG A 74 15.246 -7.924 -7.241 1.00 0.00 N ATOM 839 CZ ARG A 74 16.080 -8.723 -6.561 1.00 0.00 C ATOM 840 NH1 ARG A 74 16.141 -8.646 -5.225 1.00 0.00 N ATOM 841 NH2 ARG A 74 16.851 -9.600 -7.219 1.00 0.00 N ATOM 0 H ARG A 74 10.530 -8.186 -5.670 1.00 0.00 H new ATOM 0 HA ARG A 74 12.295 -8.198 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.770 -6.021 -5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 74 13.168 -6.119 -4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.435 -8.550 -5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.435 -7.891 -6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.038 -6.189 -7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.893 -6.386 -5.830 1.00 0.00 H new ATOM 0 HE ARG A 74 15.225 -8.009 -8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.553 -7.979 -4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.776 -9.254 -4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 74 16.803 -9.659 -8.236 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.486 -10.209 -6.703 1.00 0.00 H new ATOM 855 N LYS A 75 10.107 -5.710 -3.578 1.00 0.00 N ATOM 856 CA LYS A 75 9.375 -4.750 -2.769 1.00 0.00 C ATOM 857 C LYS A 75 8.110 -4.321 -3.517 1.00 0.00 C ATOM 858 O LYS A 75 7.718 -4.956 -4.495 1.00 0.00 O ATOM 859 CB LYS A 75 10.280 -3.582 -2.372 1.00 0.00 C ATOM 860 CG LYS A 75 10.889 -2.915 -3.608 1.00 0.00 C ATOM 861 CD LYS A 75 9.959 -1.833 -4.161 1.00 0.00 C ATOM 862 CE LYS A 75 10.756 -0.730 -4.858 1.00 0.00 C ATOM 863 NZ LYS A 75 11.454 -1.267 -6.048 1.00 0.00 N ATOM 0 H LYS A 75 9.944 -5.634 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 75 9.055 -5.206 -1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.706 -2.849 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.075 -3.940 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.852 -2.475 -3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.076 -3.666 -4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.255 -2.278 -4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.371 -1.404 -3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.087 0.078 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.482 -0.304 -4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.921 -0.489 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.167 -1.962 -5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.765 -1.727 -6.676 1.00 0.00 H new ATOM 877 N ILE A 76 7.508 -3.247 -3.029 1.00 0.00 N ATOM 878 CA ILE A 76 6.296 -2.726 -3.638 1.00 0.00 C ATOM 879 C ILE A 76 6.366 -1.199 -3.676 1.00 0.00 C ATOM 880 O ILE A 76 7.114 -0.587 -2.914 1.00 0.00 O ATOM 881 CB ILE A 76 5.059 -3.267 -2.918 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.711 -2.405 -1.704 1.00 0.00 C ATOM 883 CG2 ILE A 76 5.243 -4.739 -2.542 1.00 0.00 C ATOM 884 CD1 ILE A 76 3.395 -2.859 -1.067 1.00 0.00 C ATOM 0 H ILE A 76 7.837 -2.723 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 76 6.211 -3.068 -4.670 1.00 0.00 H new ATOM 0 HB ILE A 76 4.214 -3.213 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.514 -2.464 -0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.632 -1.361 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.350 -5.099 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.407 -5.327 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.104 -4.841 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.171 -2.229 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.590 -2.775 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.486 -3.896 -0.744 1.00 0.00 H new ATOM 896 N LEU A 77 5.576 -0.623 -4.572 1.00 0.00 N ATOM 897 CA LEU A 77 5.539 0.821 -4.719 1.00 0.00 C ATOM 898 C LEU A 77 4.135 1.250 -5.151 1.00 0.00 C ATOM 899 O LEU A 77 3.419 0.484 -5.795 1.00 0.00 O ATOM 900 CB LEU A 77 6.644 1.292 -5.667 1.00 0.00 C ATOM 901 CG LEU A 77 7.062 0.300 -6.755 1.00 0.00 C ATOM 902 CD1 LEU A 77 7.768 -0.915 -6.148 1.00 0.00 C ATOM 903 CD2 LEU A 77 5.865 -0.105 -7.617 1.00 0.00 C ATOM 0 H LEU A 77 4.957 -1.132 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 77 5.742 1.306 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.314 2.212 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.523 1.541 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 77 7.779 0.795 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.054 -1.604 -6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.659 -0.588 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.094 -1.419 -5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.190 -0.810 -8.382 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.107 -0.574 -6.990 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.444 0.780 -8.094 1.00 0.00 H new ATOM 915 N VAL A 78 3.784 2.472 -4.779 1.00 0.00 N ATOM 916 CA VAL A 78 2.478 3.011 -5.120 1.00 0.00 C ATOM 917 C VAL A 78 2.649 4.406 -5.726 1.00 0.00 C ATOM 918 O VAL A 78 3.587 5.125 -5.382 1.00 0.00 O ATOM 919 CB VAL A 78 1.570 3.002 -3.889 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.106 3.192 -4.286 1.00 0.00 C ATOM 921 CG2 VAL A 78 1.758 1.717 -3.080 1.00 0.00 C ATOM 0 H VAL A 78 4.381 3.104 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 78 1.992 2.387 -5.870 1.00 0.00 H new ATOM 0 HB VAL A 78 1.855 3.842 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.518 3.182 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.011 4.147 -4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.199 2.383 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.101 1.735 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.512 0.856 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.794 1.643 -2.751 1.00 0.00 H new ATOM 931 N ASN A 79 1.730 4.746 -6.616 1.00 0.00 N ATOM 932 CA ASN A 79 1.768 6.042 -7.272 1.00 0.00 C ATOM 933 C ASN A 79 0.439 6.764 -7.042 1.00 0.00 C ATOM 934 O ASN A 79 -0.618 6.263 -7.421 1.00 0.00 O ATOM 935 CB ASN A 79 1.967 5.889 -8.783 1.00 0.00 C ATOM 936 CG ASN A 79 2.041 7.256 -9.466 1.00 0.00 C ATOM 937 OD1 ASN A 79 1.453 8.231 -9.028 1.00 0.00 O ATOM 938 ND2 ASN A 79 2.793 7.271 -10.563 1.00 0.00 N ATOM 0 H ASN A 79 0.954 4.147 -6.899 1.00 0.00 H new ATOM 0 HA ASN A 79 2.600 6.608 -6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.882 5.331 -8.978 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.145 5.311 -9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.905 8.135 -11.093 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.258 6.418 -10.874 1.00 0.00 H new ATOM 945 N THR A 80 0.535 7.931 -6.421 1.00 0.00 N ATOM 946 CA THR A 80 -0.646 8.727 -6.136 1.00 0.00 C ATOM 947 C THR A 80 -0.671 9.979 -7.014 1.00 0.00 C ATOM 948 O THR A 80 0.378 10.540 -7.330 1.00 0.00 O ATOM 949 CB THR A 80 -0.657 9.035 -4.637 1.00 0.00 C ATOM 950 OG1 THR A 80 0.317 10.066 -4.488 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.108 7.880 -3.797 1.00 0.00 C ATOM 0 H THR A 80 1.413 8.344 -6.107 1.00 0.00 H new ATOM 0 HA THR A 80 -1.558 8.182 -6.378 1.00 0.00 H new ATOM 0 HB THR A 80 -1.675 9.261 -4.321 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.374 10.328 -3.545 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.138 8.151 -2.742 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.716 6.990 -3.961 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.922 7.675 -4.089 1.00 0.00 H new ATOM 959 N GLY A 81 -1.877 10.381 -7.384 1.00 0.00 N ATOM 960 CA GLY A 81 -2.052 11.557 -8.219 1.00 0.00 C ATOM 961 C GLY A 81 -2.299 12.804 -7.367 1.00 0.00 C ATOM 962 O GLY A 81 -1.358 13.514 -7.014 1.00 0.00 O ATOM 0 H GLY A 81 -2.744 9.913 -7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.166 11.704 -8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.891 11.404 -8.897 1.00 0.00 H new ATOM 966 N ASP A 82 -3.567 13.031 -7.061 1.00 0.00 N ATOM 967 CA ASP A 82 -3.949 14.180 -6.257 1.00 0.00 C ATOM 968 C ASP A 82 -5.120 13.796 -5.351 1.00 0.00 C ATOM 969 O ASP A 82 -6.249 13.650 -5.819 1.00 0.00 O ATOM 970 CB ASP A 82 -4.397 15.345 -7.141 1.00 0.00 C ATOM 971 CG ASP A 82 -4.953 16.553 -6.383 1.00 0.00 C ATOM 972 OD1 ASP A 82 -4.199 17.096 -5.547 1.00 0.00 O ATOM 973 OD2 ASP A 82 -6.120 16.906 -6.658 1.00 0.00 O ATOM 0 H ASP A 82 -4.344 12.439 -7.355 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.082 14.485 -5.670 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.549 15.671 -7.744 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.160 14.985 -7.832 1.00 0.00 H new ATOM 978 N TYR A 83 -4.813 13.643 -4.072 1.00 0.00 N ATOM 979 CA TYR A 83 -5.826 13.279 -3.096 1.00 0.00 C ATOM 980 C TYR A 83 -6.961 14.305 -3.074 1.00 0.00 C ATOM 981 O TYR A 83 -6.751 15.474 -3.397 1.00 0.00 O ATOM 982 CB TYR A 83 -5.124 13.285 -1.736 1.00 0.00 C ATOM 983 CG TYR A 83 -4.472 11.951 -1.367 1.00 0.00 C ATOM 984 CD1 TYR A 83 -3.956 11.138 -2.356 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.400 11.560 -0.046 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.342 9.883 -2.008 1.00 0.00 C ATOM 987 CE2 TYR A 83 -3.786 10.306 0.302 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.287 9.528 -0.697 1.00 0.00 C ATOM 989 OH TYR A 83 -2.707 8.342 -0.368 1.00 0.00 O ATOM 0 H TYR A 83 -3.876 13.765 -3.688 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.260 12.309 -3.339 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.361 14.063 -1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.849 13.549 -0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.013 11.443 -3.390 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.805 12.196 0.728 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.934 9.238 -2.772 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.723 9.989 1.333 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.087 8.014 0.473 1.00 0.00 H new ATOM 999 N ASP A 84 -8.138 13.831 -2.693 1.00 0.00 N ATOM 1000 CA ASP A 84 -9.306 14.693 -2.626 1.00 0.00 C ATOM 1001 C ASP A 84 -9.021 15.856 -1.674 1.00 0.00 C ATOM 1002 O ASP A 84 -9.041 15.684 -0.455 1.00 0.00 O ATOM 1003 CB ASP A 84 -10.522 13.932 -2.096 1.00 0.00 C ATOM 1004 CG ASP A 84 -11.806 14.119 -2.905 1.00 0.00 C ATOM 1005 OD1 ASP A 84 -11.678 14.471 -4.098 1.00 0.00 O ATOM 1006 OD2 ASP A 84 -12.886 13.904 -2.315 1.00 0.00 O ATOM 0 H ASP A 84 -8.308 12.861 -2.427 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.519 15.054 -3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.281 12.869 -2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.709 14.246 -1.069 1.00 0.00 H new ATOM 1011 N SER A 85 -8.764 17.015 -2.263 1.00 0.00 N ATOM 1012 CA SER A 85 -8.477 18.205 -1.483 1.00 0.00 C ATOM 1013 C SER A 85 -9.557 18.404 -0.417 1.00 0.00 C ATOM 1014 O SER A 85 -9.269 18.869 0.684 1.00 0.00 O ATOM 1015 CB SER A 85 -8.380 19.442 -2.378 1.00 0.00 C ATOM 1016 OG SER A 85 -7.062 19.984 -2.396 1.00 0.00 O ATOM 0 H SER A 85 -8.749 17.154 -3.273 1.00 0.00 H new ATOM 0 HA SER A 85 -7.512 18.069 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.678 19.180 -3.393 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.079 20.200 -2.026 1.00 0.00 H new ATOM 0 HG SER A 85 -7.040 20.771 -2.979 1.00 0.00 H new ATOM 1022 N ASP A 86 -10.779 18.044 -0.783 1.00 0.00 N ATOM 1023 CA ASP A 86 -11.903 18.178 0.127 1.00 0.00 C ATOM 1024 C ASP A 86 -11.678 17.280 1.344 1.00 0.00 C ATOM 1025 O ASP A 86 -11.783 17.733 2.483 1.00 0.00 O ATOM 1026 CB ASP A 86 -13.208 17.748 -0.545 1.00 0.00 C ATOM 1027 CG ASP A 86 -14.417 17.657 0.390 1.00 0.00 C ATOM 1028 OD1 ASP A 86 -14.354 18.297 1.463 1.00 0.00 O ATOM 1029 OD2 ASP A 86 -15.376 16.952 0.012 1.00 0.00 O ATOM 0 H ASP A 86 -11.015 17.660 -1.698 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.977 19.225 0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.438 18.453 -1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.055 16.775 -1.013 1.00 0.00 H new ATOM 1034 N ALA A 87 -11.374 16.022 1.063 1.00 0.00 N ATOM 1035 CA ALA A 87 -11.133 15.055 2.121 1.00 0.00 C ATOM 1036 C ALA A 87 -9.769 15.331 2.757 1.00 0.00 C ATOM 1037 O ALA A 87 -8.813 15.669 2.062 1.00 0.00 O ATOM 1038 CB ALA A 87 -11.236 13.639 1.552 1.00 0.00 C ATOM 0 H ALA A 87 -11.289 15.649 0.117 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.886 15.147 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.055 12.914 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.233 13.484 1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.493 13.508 0.765 1.00 0.00 H new ATOM 1044 N ASP A 88 -9.723 15.174 4.072 1.00 0.00 N ATOM 1045 CA ASP A 88 -8.492 15.402 4.810 1.00 0.00 C ATOM 1046 C ASP A 88 -7.412 14.444 4.302 1.00 0.00 C ATOM 1047 O ASP A 88 -7.426 13.259 4.631 1.00 0.00 O ATOM 1048 CB ASP A 88 -8.690 15.142 6.304 1.00 0.00 C ATOM 1049 CG ASP A 88 -9.553 16.174 7.032 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -9.545 17.340 6.581 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -10.201 15.774 8.023 1.00 0.00 O ATOM 0 H ASP A 88 -10.518 14.892 4.645 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.197 16.441 4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.143 14.159 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.712 15.106 6.784 1.00 0.00 H new ATOM 1056 N LYS A 89 -6.505 14.993 3.508 1.00 0.00 N ATOM 1057 CA LYS A 89 -5.421 14.202 2.952 1.00 0.00 C ATOM 1058 C LYS A 89 -4.567 13.640 4.090 1.00 0.00 C ATOM 1059 O LYS A 89 -3.957 12.582 3.951 1.00 0.00 O ATOM 1060 CB LYS A 89 -4.625 15.023 1.934 1.00 0.00 C ATOM 1061 CG LYS A 89 -3.889 16.177 2.617 1.00 0.00 C ATOM 1062 CD LYS A 89 -4.337 17.525 2.051 1.00 0.00 C ATOM 1063 CE LYS A 89 -3.321 18.060 1.040 1.00 0.00 C ATOM 1064 NZ LYS A 89 -4.001 18.850 -0.011 1.00 0.00 N ATOM 0 H LYS A 89 -6.499 15.976 3.236 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.818 13.350 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.907 14.380 1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.298 15.416 1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.077 16.149 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.814 16.060 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.310 17.417 1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.459 18.242 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.584 18.681 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.779 17.230 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.297 19.205 -0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.687 18.248 -0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.498 19.653 0.425 1.00 0.00 H new ATOM 1078 N LEU A 90 -4.552 14.376 5.193 1.00 0.00 N ATOM 1079 CA LEU A 90 -3.783 13.964 6.355 1.00 0.00 C ATOM 1080 C LEU A 90 -4.531 12.848 7.087 1.00 0.00 C ATOM 1081 O LEU A 90 -3.912 11.983 7.706 1.00 0.00 O ATOM 1082 CB LEU A 90 -3.461 15.171 7.239 1.00 0.00 C ATOM 1083 CG LEU A 90 -2.081 15.168 7.902 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -0.973 15.329 6.860 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -1.998 16.233 8.997 1.00 0.00 C ATOM 0 H LEU A 90 -5.059 15.254 5.306 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.820 13.555 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.550 16.073 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.218 15.236 8.021 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.933 14.201 8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.003 15.324 7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.021 14.505 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.105 16.273 6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.008 16.210 9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.175 17.217 8.562 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.752 16.032 9.758 1.00 0.00 H new ATOM 1097 N ALA A 91 -5.851 12.904 6.994 1.00 0.00 N ATOM 1098 CA ALA A 91 -6.691 11.908 7.638 1.00 0.00 C ATOM 1099 C ALA A 91 -6.671 10.619 6.815 1.00 0.00 C ATOM 1100 O ALA A 91 -6.406 9.542 7.346 1.00 0.00 O ATOM 1101 CB ALA A 91 -8.104 12.467 7.812 1.00 0.00 C ATOM 0 H ALA A 91 -6.360 13.624 6.482 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.310 11.670 8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.734 11.720 8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.067 13.364 8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.520 12.716 6.836 1.00 0.00 H new ATOM 1107 N VAL A 92 -6.955 10.771 5.529 1.00 0.00 N ATOM 1108 CA VAL A 92 -6.973 9.633 4.626 1.00 0.00 C ATOM 1109 C VAL A 92 -5.635 8.898 4.713 1.00 0.00 C ATOM 1110 O VAL A 92 -5.575 7.685 4.516 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.311 10.095 3.208 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -8.677 10.786 3.166 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.218 11.010 2.655 1.00 0.00 C ATOM 0 H VAL A 92 -7.175 11.666 5.091 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.751 8.927 4.917 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.363 9.211 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.892 11.105 2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.447 10.090 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.665 11.656 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.483 11.324 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.120 11.887 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.271 10.471 2.630 1.00 0.00 H new ATOM 1123 N VAL A 93 -4.594 9.663 5.009 1.00 0.00 N ATOM 1124 CA VAL A 93 -3.260 9.098 5.124 1.00 0.00 C ATOM 1125 C VAL A 93 -3.300 7.891 6.062 1.00 0.00 C ATOM 1126 O VAL A 93 -2.569 6.922 5.864 1.00 0.00 O ATOM 1127 CB VAL A 93 -2.273 10.176 5.580 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -1.038 9.550 6.227 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -1.879 11.087 4.415 1.00 0.00 C ATOM 0 H VAL A 93 -4.647 10.668 5.172 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.911 8.744 4.154 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.771 10.789 6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.353 10.338 6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.340 8.963 7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.539 8.902 5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.177 11.844 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.410 10.493 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.769 11.574 4.017 1.00 0.00 H new ATOM 1139 N ARG A 94 -4.163 7.988 7.063 1.00 0.00 N ATOM 1140 CA ARG A 94 -4.309 6.916 8.032 1.00 0.00 C ATOM 1141 C ARG A 94 -5.056 5.734 7.409 1.00 0.00 C ATOM 1142 O ARG A 94 -4.851 4.587 7.803 1.00 0.00 O ATOM 1143 CB ARG A 94 -5.068 7.393 9.272 1.00 0.00 C ATOM 1144 CG ARG A 94 -4.247 8.418 10.056 1.00 0.00 C ATOM 1145 CD ARG A 94 -4.567 9.843 9.596 1.00 0.00 C ATOM 1146 NE ARG A 94 -4.024 10.821 10.565 1.00 0.00 N ATOM 1147 CZ ARG A 94 -4.571 11.076 11.761 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -5.679 10.427 12.144 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -4.011 11.980 12.575 1.00 0.00 N ATOM 0 H ARG A 94 -4.768 8.793 7.224 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.309 6.602 8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.019 7.835 8.973 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.299 6.541 9.911 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.457 8.320 11.121 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -3.184 8.218 9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.139 10.020 8.609 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.646 9.971 9.503 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.181 11.333 10.306 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.106 9.738 11.525 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.095 10.622 13.055 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.168 12.475 12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.428 12.174 13.486 1.00 0.00 H new ATOM 1163 N THR A 95 -5.906 6.056 6.445 1.00 0.00 N ATOM 1164 CA THR A 95 -6.684 5.035 5.763 1.00 0.00 C ATOM 1165 C THR A 95 -5.878 4.427 4.616 1.00 0.00 C ATOM 1166 O THR A 95 -6.019 3.243 4.311 1.00 0.00 O ATOM 1167 CB THR A 95 -8.001 5.670 5.310 1.00 0.00 C ATOM 1168 OG1 THR A 95 -8.775 5.753 6.503 1.00 0.00 O ATOM 1169 CG2 THR A 95 -8.814 4.745 4.403 1.00 0.00 C ATOM 0 H THR A 95 -6.073 7.008 6.120 1.00 0.00 H new ATOM 0 HA THR A 95 -6.917 4.205 6.429 1.00 0.00 H new ATOM 0 HB THR A 95 -7.793 6.603 4.786 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.645 6.155 6.301 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.738 5.243 4.110 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.233 4.506 3.513 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.051 3.826 4.939 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.048 5.263 4.009 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.217 4.822 2.901 1.00 0.00 C ATOM 1179 C TYR A 96 -2.999 4.046 3.404 1.00 0.00 C ATOM 1180 O TYR A 96 -2.528 3.124 2.740 1.00 0.00 O ATOM 1181 CB TYR A 96 -3.742 6.096 2.198 1.00 0.00 C ATOM 1182 CG TYR A 96 -2.556 5.880 1.255 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -2.776 5.548 -0.066 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.267 6.017 1.727 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -1.660 5.345 -0.952 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.150 5.813 0.840 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.401 5.487 -0.456 1.00 0.00 C ATOM 1188 OH TYR A 96 0.653 5.296 -1.294 1.00 0.00 O ATOM 0 H TYR A 96 -4.933 6.244 4.264 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.778 4.163 2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.572 6.517 1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.465 6.833 2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.785 5.440 -0.435 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.095 6.277 2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.819 5.086 -1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.864 5.917 1.197 1.00 0.00 H new ATOM 0 HH TYR A 96 0.394 5.541 -2.207 1.00 0.00 H new ATOM 1198 N ASN A 97 -2.522 4.449 4.573 1.00 0.00 N ATOM 1199 CA ASN A 97 -1.367 3.802 5.172 1.00 0.00 C ATOM 1200 C ASN A 97 -1.767 2.409 5.664 1.00 0.00 C ATOM 1201 O ASN A 97 -1.058 1.434 5.420 1.00 0.00 O ATOM 1202 CB ASN A 97 -0.854 4.597 6.374 1.00 0.00 C ATOM 1203 CG ASN A 97 0.262 5.559 5.958 1.00 0.00 C ATOM 1204 OD1 ASN A 97 1.414 5.415 6.335 1.00 0.00 O ATOM 1205 ND2 ASN A 97 -0.141 6.545 5.163 1.00 0.00 N ATOM 0 H ASN A 97 -2.914 5.215 5.121 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.583 3.742 4.417 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.675 5.158 6.821 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.483 3.912 7.137 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.529 7.239 4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.120 6.608 4.885 1.00 0.00 H new ATOM 1212 N ASP A 98 -2.900 2.360 6.348 1.00 0.00 N ATOM 1213 CA ASP A 98 -3.401 1.103 6.875 1.00 0.00 C ATOM 1214 C ASP A 98 -3.476 0.073 5.745 1.00 0.00 C ATOM 1215 O ASP A 98 -3.220 -1.110 5.959 1.00 0.00 O ATOM 1216 CB ASP A 98 -4.806 1.269 7.458 1.00 0.00 C ATOM 1217 CG ASP A 98 -5.278 0.121 8.351 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -5.670 -0.919 7.780 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -5.233 0.309 9.586 1.00 0.00 O ATOM 0 H ASP A 98 -3.485 3.171 6.549 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.722 0.774 7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.836 2.193 8.035 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.512 1.383 6.636 1.00 0.00 H new ATOM 1224 N PHE A 99 -3.831 0.563 4.566 1.00 0.00 N ATOM 1225 CA PHE A 99 -3.944 -0.298 3.402 1.00 0.00 C ATOM 1226 C PHE A 99 -2.580 -0.870 3.009 1.00 0.00 C ATOM 1227 O PHE A 99 -2.448 -2.072 2.782 1.00 0.00 O ATOM 1228 CB PHE A 99 -4.470 0.565 2.255 1.00 0.00 C ATOM 1229 CG PHE A 99 -4.431 -0.122 0.889 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -3.274 -0.152 0.175 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -5.555 -0.703 0.388 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -3.238 -0.791 -1.093 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -5.519 -1.341 -0.881 1.00 0.00 C ATOM 1234 CZ PHE A 99 -4.362 -1.371 -1.594 1.00 0.00 C ATOM 0 H PHE A 99 -4.044 1.545 4.392 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.610 -1.133 3.621 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.497 0.856 2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.883 1.482 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.382 0.310 0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.474 -0.679 0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.319 -0.816 -1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.411 -1.802 -1.279 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.335 -1.856 -2.559 1.00 0.00 H new ATOM 1244 N ILE A 100 -1.599 0.017 2.942 1.00 0.00 N ATOM 1245 CA ILE A 100 -0.250 -0.384 2.579 1.00 0.00 C ATOM 1246 C ILE A 100 0.351 -1.217 3.713 1.00 0.00 C ATOM 1247 O ILE A 100 0.875 -2.305 3.479 1.00 0.00 O ATOM 1248 CB ILE A 100 0.590 0.839 2.203 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.040 1.598 1.034 1.00 0.00 C ATOM 1250 CG2 ILE A 100 2.038 0.440 1.913 1.00 0.00 C ATOM 1251 CD1 ILE A 100 0.045 0.786 -0.259 1.00 0.00 C ATOM 0 H ILE A 100 -1.711 1.013 3.133 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.266 -1.016 1.691 1.00 0.00 H new ATOM 0 HB ILE A 100 0.607 1.518 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.083 1.820 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.467 2.554 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.614 1.327 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.472 -0.023 2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.061 -0.268 1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.410 1.350 -1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.090 0.587 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.484 -0.158 -0.131 1.00 0.00 H new ATOM 1263 N GLU A 101 0.255 -0.675 4.918 1.00 0.00 N ATOM 1264 CA GLU A 101 0.782 -1.355 6.089 1.00 0.00 C ATOM 1265 C GLU A 101 0.313 -2.811 6.113 1.00 0.00 C ATOM 1266 O GLU A 101 1.020 -3.686 6.613 1.00 0.00 O ATOM 1267 CB GLU A 101 0.380 -0.628 7.374 1.00 0.00 C ATOM 1268 CG GLU A 101 1.308 -1.002 8.529 1.00 0.00 C ATOM 1269 CD GLU A 101 0.852 -0.346 9.834 1.00 0.00 C ATOM 1270 OE1 GLU A 101 1.237 0.824 10.046 1.00 0.00 O ATOM 1271 OE2 GLU A 101 0.128 -1.029 10.591 1.00 0.00 O ATOM 0 H GLU A 101 -0.180 0.228 5.109 1.00 0.00 H new ATOM 0 HA GLU A 101 1.870 -1.345 6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 101 0.412 0.449 7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.648 -0.881 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.326 -2.085 8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.326 -0.690 8.298 1.00 0.00 H new ATOM 1278 N LYS A 102 -0.876 -3.025 5.570 1.00 0.00 N ATOM 1279 CA LYS A 102 -1.447 -4.361 5.522 1.00 0.00 C ATOM 1280 C LYS A 102 -0.927 -5.090 4.281 1.00 0.00 C ATOM 1281 O LYS A 102 -0.833 -6.316 4.272 1.00 0.00 O ATOM 1282 CB LYS A 102 -2.974 -4.293 5.602 1.00 0.00 C ATOM 1283 CG LYS A 102 -3.480 -4.871 6.924 1.00 0.00 C ATOM 1284 CD LYS A 102 -3.154 -6.362 7.031 1.00 0.00 C ATOM 1285 CE LYS A 102 -4.004 -7.033 8.112 1.00 0.00 C ATOM 1286 NZ LYS A 102 -3.516 -8.405 8.379 1.00 0.00 N ATOM 0 H LYS A 102 -1.460 -2.296 5.159 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.131 -4.942 6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.301 -3.258 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.410 -4.845 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.025 -4.335 7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.557 -4.724 7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.332 -6.847 6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.097 -6.491 7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.969 -6.444 9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.046 -7.067 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.104 -8.846 9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.572 -8.969 7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.528 -8.365 8.703 1.00 0.00 H new ATOM 1300 N LEU A 103 -0.604 -4.305 3.265 1.00 0.00 N ATOM 1301 CA LEU A 103 -0.096 -4.860 2.022 1.00 0.00 C ATOM 1302 C LEU A 103 1.419 -5.043 2.131 1.00 0.00 C ATOM 1303 O LEU A 103 2.032 -5.688 1.282 1.00 0.00 O ATOM 1304 CB LEU A 103 -0.528 -3.998 0.834 1.00 0.00 C ATOM 1305 CG LEU A 103 -1.670 -4.555 -0.020 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -2.973 -4.611 0.779 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -1.824 -3.756 -1.314 1.00 0.00 C ATOM 0 H LEU A 103 -0.684 -3.288 3.277 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.524 -5.846 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.826 -3.019 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.338 -3.842 0.190 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.421 -5.578 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.769 -5.010 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.840 -5.255 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.241 -3.607 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.642 -4.171 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.041 -2.715 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.899 -3.811 -1.888 1.00 0.00 H new ATOM 1319 N THR A 104 1.978 -4.463 3.183 1.00 0.00 N ATOM 1320 CA THR A 104 3.409 -4.555 3.415 1.00 0.00 C ATOM 1321 C THR A 104 3.708 -5.565 4.525 1.00 0.00 C ATOM 1322 O THR A 104 4.760 -6.201 4.523 1.00 0.00 O ATOM 1323 CB THR A 104 3.930 -3.148 3.719 1.00 0.00 C ATOM 1324 OG1 THR A 104 3.006 -2.634 4.674 1.00 0.00 O ATOM 1325 CG2 THR A 104 3.794 -2.202 2.522 1.00 0.00 C ATOM 0 H THR A 104 1.466 -3.928 3.884 1.00 0.00 H new ATOM 0 HA THR A 104 3.928 -4.928 2.532 1.00 0.00 H new ATOM 0 HB THR A 104 4.976 -3.206 4.020 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.234 -2.249 4.208 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.178 -1.218 2.791 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.363 -2.596 1.680 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.744 -2.118 2.242 1.00 0.00 H new ATOM 1333 N GLY A 105 2.761 -5.680 5.445 1.00 0.00 N ATOM 1334 CA GLY A 105 2.910 -6.603 6.558 1.00 0.00 C ATOM 1335 C GLY A 105 3.833 -6.023 7.632 1.00 0.00 C ATOM 1336 O GLY A 105 4.166 -6.701 8.601 1.00 0.00 O ATOM 0 H GLY A 105 1.889 -5.150 5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.933 -6.817 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.314 -7.549 6.199 1.00 0.00 H new ATOM 1340 N TYR A 106 4.218 -4.772 7.422 1.00 0.00 N ATOM 1341 CA TYR A 106 5.095 -4.093 8.360 1.00 0.00 C ATOM 1342 C TYR A 106 4.290 -3.268 9.366 1.00 0.00 C ATOM 1343 O TYR A 106 3.468 -2.438 8.977 1.00 0.00 O ATOM 1344 CB TYR A 106 5.960 -3.150 7.522 1.00 0.00 C ATOM 1345 CG TYR A 106 7.256 -3.782 7.013 1.00 0.00 C ATOM 1346 CD1 TYR A 106 7.206 -4.879 6.175 1.00 0.00 C ATOM 1347 CD2 TYR A 106 8.475 -3.258 7.391 1.00 0.00 C ATOM 1348 CE1 TYR A 106 8.427 -5.473 5.696 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.696 -3.853 6.912 1.00 0.00 C ATOM 1350 CZ TYR A 106 9.612 -4.932 6.087 1.00 0.00 C ATOM 1351 OH TYR A 106 10.763 -5.495 5.635 1.00 0.00 O ATOM 0 H TYR A 106 3.939 -4.212 6.617 1.00 0.00 H new ATOM 0 HA TYR A 106 5.687 -4.815 8.922 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.378 -2.802 6.669 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.206 -2.272 8.119 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.252 -5.291 5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.514 -2.401 8.047 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.402 -6.330 5.040 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.656 -3.452 7.201 1.00 0.00 H new ATOM 0 HH TYR A 106 11.531 -5.004 5.995 1.00 0.00 H new ATOM 1361 N SER A 107 4.553 -3.523 10.640 1.00 0.00 N ATOM 1362 CA SER A 107 3.863 -2.814 11.704 1.00 0.00 C ATOM 1363 C SER A 107 4.784 -1.754 12.310 1.00 0.00 C ATOM 1364 O SER A 107 5.983 -1.739 12.036 1.00 0.00 O ATOM 1365 CB SER A 107 3.379 -3.780 12.787 1.00 0.00 C ATOM 1366 OG SER A 107 2.338 -3.219 13.577 1.00 0.00 O ATOM 0 H SER A 107 5.235 -4.211 10.959 1.00 0.00 H new ATOM 0 HA SER A 107 2.988 -2.324 11.276 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.024 -4.699 12.320 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.216 -4.052 13.430 1.00 0.00 H new ATOM 0 HG SER A 107 2.056 -3.868 14.255 1.00 0.00 H new ATOM 1372 N ALA A 108 4.189 -0.893 13.123 1.00 0.00 N ATOM 1373 CA ALA A 108 4.943 0.167 13.771 1.00 0.00 C ATOM 1374 C ALA A 108 6.241 -0.410 14.341 1.00 0.00 C ATOM 1375 O ALA A 108 7.232 0.304 14.481 1.00 0.00 O ATOM 1376 CB ALA A 108 4.076 0.825 14.847 1.00 0.00 C ATOM 0 H ALA A 108 3.194 -0.908 13.348 1.00 0.00 H new ATOM 0 HA ALA A 108 5.214 0.940 13.052 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.641 1.620 15.333 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.181 1.245 14.387 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.787 0.079 15.588 1.00 0.00 H new ATOM 1382 N LYS A 109 6.192 -1.697 14.655 1.00 0.00 N ATOM 1383 CA LYS A 109 7.351 -2.377 15.205 1.00 0.00 C ATOM 1384 C LYS A 109 8.551 -2.157 14.282 1.00 0.00 C ATOM 1385 O LYS A 109 9.649 -1.850 14.746 1.00 0.00 O ATOM 1386 CB LYS A 109 7.035 -3.851 15.463 1.00 0.00 C ATOM 1387 CG LYS A 109 6.836 -4.115 16.957 1.00 0.00 C ATOM 1388 CD LYS A 109 7.364 -5.498 17.345 1.00 0.00 C ATOM 1389 CE LYS A 109 8.212 -5.425 18.616 1.00 0.00 C ATOM 1390 NZ LYS A 109 7.346 -5.399 19.817 1.00 0.00 N ATOM 0 H LYS A 109 5.367 -2.286 14.539 1.00 0.00 H new ATOM 0 HA LYS A 109 7.614 -1.957 16.176 1.00 0.00 H new ATOM 0 HB2 LYS A 109 6.135 -4.135 14.917 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.847 -4.472 15.085 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.351 -3.349 17.537 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.777 -4.044 17.205 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.528 -6.180 17.500 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.960 -5.906 16.529 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.883 -6.283 18.663 1.00 0.00 H new ATOM 0 HE3 LYS A 109 8.837 -4.533 18.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 7.938 -5.349 20.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.724 -4.567 19.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.767 -6.263 19.847 1.00 0.00 H new ATOM 1404 N GLU A 110 8.303 -2.326 12.992 1.00 0.00 N ATOM 1405 CA GLU A 110 9.351 -2.151 12.000 1.00 0.00 C ATOM 1406 C GLU A 110 9.571 -0.662 11.718 1.00 0.00 C ATOM 1407 O GLU A 110 10.708 -0.193 11.701 1.00 0.00 O ATOM 1408 CB GLU A 110 9.018 -2.909 10.712 1.00 0.00 C ATOM 1409 CG GLU A 110 7.931 -3.956 10.958 1.00 0.00 C ATOM 1410 CD GLU A 110 8.262 -4.816 12.179 1.00 0.00 C ATOM 1411 OE1 GLU A 110 9.450 -5.180 12.310 1.00 0.00 O ATOM 1412 OE2 GLU A 110 7.320 -5.091 12.953 1.00 0.00 O ATOM 0 H GLU A 110 7.392 -2.582 12.610 1.00 0.00 H new ATOM 0 HA GLU A 110 10.276 -2.566 12.399 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.685 -2.206 9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 110 9.916 -3.395 10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.972 -3.461 11.107 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.828 -4.592 10.079 1.00 0.00 H new ATOM 1419 N ARG A 111 8.467 0.036 11.503 1.00 0.00 N ATOM 1420 CA ARG A 111 8.526 1.461 11.222 1.00 0.00 C ATOM 1421 C ARG A 111 9.419 2.167 12.244 1.00 0.00 C ATOM 1422 O ARG A 111 9.976 3.226 11.961 1.00 0.00 O ATOM 1423 CB ARG A 111 7.130 2.087 11.257 1.00 0.00 C ATOM 1424 CG ARG A 111 6.987 3.165 10.182 1.00 0.00 C ATOM 1425 CD ARG A 111 7.136 4.564 10.785 1.00 0.00 C ATOM 1426 NE ARG A 111 8.249 5.283 10.125 1.00 0.00 N ATOM 1427 CZ ARG A 111 8.631 6.527 10.444 1.00 0.00 C ATOM 1428 NH1 ARG A 111 7.996 7.197 11.415 1.00 0.00 N ATOM 1429 NH2 ARG A 111 9.651 7.101 9.791 1.00 0.00 N ATOM 0 H ARG A 111 7.526 -0.358 11.517 1.00 0.00 H new ATOM 0 HA ARG A 111 8.943 1.585 10.223 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.377 1.314 11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.947 2.521 12.240 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.741 3.016 9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.014 3.075 9.699 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.208 5.123 10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.324 4.489 11.856 1.00 0.00 H new ATOM 0 HE ARG A 111 8.756 4.802 9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 111 7.220 6.760 11.913 1.00 0.00 H new ATOM 0 HH12 ARG A 111 8.288 8.144 11.656 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.135 6.591 9.052 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.943 8.048 10.033 1.00 0.00 H new ATOM 1443 N LYS A 112 9.529 1.550 13.413 1.00 0.00 N ATOM 1444 CA LYS A 112 10.344 2.106 14.479 1.00 0.00 C ATOM 1445 C LYS A 112 11.799 1.674 14.280 1.00 0.00 C ATOM 1446 O LYS A 112 12.722 2.423 14.597 1.00 0.00 O ATOM 1447 CB LYS A 112 9.772 1.726 15.845 1.00 0.00 C ATOM 1448 CG LYS A 112 10.286 2.669 16.935 1.00 0.00 C ATOM 1449 CD LYS A 112 9.125 3.349 17.664 1.00 0.00 C ATOM 1450 CE LYS A 112 9.591 3.964 18.985 1.00 0.00 C ATOM 1451 NZ LYS A 112 9.176 5.381 19.072 1.00 0.00 N ATOM 0 H LYS A 112 9.067 0.671 13.644 1.00 0.00 H new ATOM 0 HA LYS A 112 10.326 3.195 14.444 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.683 1.763 15.811 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.049 0.700 16.087 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.891 2.110 17.649 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.934 3.425 16.491 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.697 4.124 17.029 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.336 2.622 17.856 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.172 3.404 19.821 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.676 3.891 19.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.500 5.783 19.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.596 5.915 18.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.139 5.443 19.018 1.00 0.00 H new ATOM 1465 N LYS A 113 11.959 0.469 13.754 1.00 0.00 N ATOM 1466 CA LYS A 113 13.285 -0.071 13.509 1.00 0.00 C ATOM 1467 C LYS A 113 14.118 0.960 12.747 1.00 0.00 C ATOM 1468 O LYS A 113 15.346 0.956 12.829 1.00 0.00 O ATOM 1469 CB LYS A 113 13.189 -1.427 12.805 1.00 0.00 C ATOM 1470 CG LYS A 113 13.130 -2.570 13.820 1.00 0.00 C ATOM 1471 CD LYS A 113 13.676 -3.867 13.219 1.00 0.00 C ATOM 1472 CE LYS A 113 15.201 -3.917 13.317 1.00 0.00 C ATOM 1473 NZ LYS A 113 15.817 -3.555 12.021 1.00 0.00 N ATOM 0 H LYS A 113 11.192 -0.149 13.490 1.00 0.00 H new ATOM 0 HA LYS A 113 13.799 -0.262 14.451 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.301 -1.451 12.174 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.050 -1.562 12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.707 -2.304 14.706 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.100 -2.721 14.144 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.246 -4.723 13.740 1.00 0.00 H new ATOM 0 HD3 LYS A 113 13.372 -3.944 12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 113 15.544 -3.232 14.093 1.00 0.00 H new ATOM 0 HE3 LYS A 113 15.520 -4.917 13.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 16.734 -4.036 11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 15.190 -3.849 11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 15.960 -2.526 11.980 1.00 0.00 H new ATOM 1487 N MET A 114 13.417 1.820 12.021 1.00 0.00 N ATOM 1488 CA MET A 114 14.078 2.857 11.244 1.00 0.00 C ATOM 1489 C MET A 114 14.253 4.132 12.071 1.00 0.00 C ATOM 1490 O MET A 114 15.124 4.950 11.777 1.00 0.00 O ATOM 1491 CB MET A 114 13.247 3.166 9.997 1.00 0.00 C ATOM 1492 CG MET A 114 12.850 1.880 9.270 1.00 0.00 C ATOM 1493 SD MET A 114 13.404 1.942 7.574 1.00 0.00 S ATOM 1494 CE MET A 114 14.056 0.289 7.401 1.00 0.00 C ATOM 0 H MET A 114 12.399 1.820 11.954 1.00 0.00 H new ATOM 0 HA MET A 114 15.065 2.497 10.954 1.00 0.00 H new ATOM 0 HB2 MET A 114 12.351 3.719 10.280 1.00 0.00 H new ATOM 0 HB3 MET A 114 13.818 3.807 9.325 1.00 0.00 H new ATOM 0 HG2 MET A 114 13.288 1.018 9.773 1.00 0.00 H new ATOM 0 HG3 MET A 114 11.768 1.753 9.303 1.00 0.00 H new ATOM 0 HE1 MET A 114 14.447 0.156 6.392 1.00 0.00 H new ATOM 0 HE2 MET A 114 14.858 0.137 8.124 1.00 0.00 H new ATOM 0 HE3 MET A 114 13.262 -0.436 7.581 1.00 0.00 H new ATOM 1504 N MET A 115 13.413 4.262 13.086 1.00 0.00 N ATOM 1505 CA MET A 115 13.466 5.425 13.956 1.00 0.00 C ATOM 1506 C MET A 115 14.409 5.185 15.136 1.00 0.00 C ATOM 1507 O MET A 115 15.117 6.095 15.563 1.00 0.00 O ATOM 1508 CB MET A 115 12.061 5.733 14.481 1.00 0.00 C ATOM 1509 CG MET A 115 12.117 6.716 15.652 1.00 0.00 C ATOM 1510 SD MET A 115 10.963 8.051 15.383 1.00 0.00 S ATOM 1511 CE MET A 115 11.533 8.639 13.797 1.00 0.00 C ATOM 0 H MET A 115 12.692 3.582 13.326 1.00 0.00 H new ATOM 0 HA MET A 115 13.843 6.270 13.380 1.00 0.00 H new ATOM 0 HB2 MET A 115 11.453 6.151 13.679 1.00 0.00 H new ATOM 0 HB3 MET A 115 11.577 4.810 14.799 1.00 0.00 H new ATOM 0 HG2 MET A 115 11.879 6.200 16.582 1.00 0.00 H new ATOM 0 HG3 MET A 115 13.127 7.113 15.757 1.00 0.00 H new ATOM 0 HE1 MET A 115 11.467 9.727 13.767 1.00 0.00 H new ATOM 0 HE2 MET A 115 12.569 8.334 13.647 1.00 0.00 H new ATOM 0 HE3 MET A 115 10.912 8.216 13.007 1.00 0.00 H new ATOM 1521 N THR A 116 14.389 3.956 15.628 1.00 0.00 N ATOM 1522 CA THR A 116 15.235 3.584 16.750 1.00 0.00 C ATOM 1523 C THR A 116 15.781 2.168 16.560 1.00 0.00 C ATOM 1524 O THR A 116 15.026 1.198 16.590 1.00 0.00 O ATOM 1525 CB THR A 116 14.419 3.754 18.034 1.00 0.00 C ATOM 1526 OG1 THR A 116 13.169 3.137 17.735 1.00 0.00 O ATOM 1527 CG2 THR A 116 14.057 5.215 18.309 1.00 0.00 C ATOM 0 H THR A 116 13.800 3.204 15.270 1.00 0.00 H new ATOM 0 HA THR A 116 16.111 4.230 16.816 1.00 0.00 H new ATOM 0 HB THR A 116 14.982 3.355 18.877 1.00 0.00 H new ATOM 0 HG1 THR A 116 13.325 2.295 17.259 1.00 0.00 H new ATOM 0 HG21 THR A 116 13.479 5.279 19.231 1.00 0.00 H new ATOM 0 HG22 THR A 116 14.969 5.803 18.411 1.00 0.00 H new ATOM 0 HG23 THR A 116 13.465 5.605 17.481 1.00 0.00 H new ATOM 1535 N LYS A 117 17.090 2.094 16.369 1.00 0.00 N ATOM 1536 CA LYS A 117 17.747 0.813 16.174 1.00 0.00 C ATOM 1537 C LYS A 117 17.297 -0.157 17.270 1.00 0.00 C ATOM 1538 O LYS A 117 16.962 -1.307 16.987 1.00 0.00 O ATOM 1539 CB LYS A 117 19.264 0.994 16.098 1.00 0.00 C ATOM 1540 CG LYS A 117 19.823 0.406 14.801 1.00 0.00 C ATOM 1541 CD LYS A 117 20.123 -1.086 14.959 1.00 0.00 C ATOM 1542 CE LYS A 117 21.590 -1.315 15.327 1.00 0.00 C ATOM 1543 NZ LYS A 117 22.374 -1.675 14.125 1.00 0.00 N ATOM 0 H LYS A 117 17.713 2.901 16.345 1.00 0.00 H new ATOM 0 HA LYS A 117 17.454 0.376 15.219 1.00 0.00 H new ATOM 0 HB2 LYS A 117 19.511 2.054 16.157 1.00 0.00 H new ATOM 0 HB3 LYS A 117 19.735 0.510 16.953 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.107 0.553 13.993 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.733 0.936 14.520 1.00 0.00 H new ATOM 0 HD2 LYS A 117 19.480 -1.510 15.731 1.00 0.00 H new ATOM 0 HD3 LYS A 117 19.892 -1.607 14.030 1.00 0.00 H new ATOM 0 HE2 LYS A 117 22.002 -0.414 15.781 1.00 0.00 H new ATOM 0 HE3 LYS A 117 21.665 -2.110 16.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 23.368 -1.827 14.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.990 -2.547 13.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 22.316 -0.904 13.429 1.00 0.00 H new ATOM 1557 N ASP A 118 17.306 0.342 18.496 1.00 0.00 N ATOM 1558 CA ASP A 118 16.903 -0.467 19.635 1.00 0.00 C ATOM 1559 C ASP A 118 15.398 -0.316 19.855 1.00 0.00 C ATOM 1560 O ASP A 118 14.837 -0.915 20.772 1.00 0.00 O ATOM 1561 CB ASP A 118 17.616 -0.013 20.912 1.00 0.00 C ATOM 1562 CG ASP A 118 18.986 -0.649 21.148 1.00 0.00 C ATOM 1563 OD1 ASP A 118 19.710 -0.827 20.144 1.00 0.00 O ATOM 1564 OD2 ASP A 118 19.280 -0.944 22.327 1.00 0.00 O ATOM 1565 OXT ASP A 118 14.657 0.512 19.003 1.00 0.00 O ATOM 0 H ASP A 118 17.586 1.295 18.727 1.00 0.00 H new ATOM 0 HA ASP A 118 17.166 -1.503 19.423 1.00 0.00 H new ATOM 0 HB2 ASP A 118 17.736 1.070 20.878 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.977 -0.236 21.766 1.00 0.00 H new TER 1570 ASP A 118