USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 64 HIS : no HD1:sc= -1.66 X(o=-1.5,f=-1.2) USER MOD Set 1.2: A 79 THR OG1 : rot 133:sc= 0.19 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -114:sc= 0.786 (180deg=-0.284) USER MOD Set 2.2: A 74 ASN : amide:sc= 0.845 K(o=1.6,f=-3.4) USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= -0.218 (180deg=-0.345) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 160:sc= 0 (180deg=-0.349) USER MOD Single : A 22 SER OG : rot -33:sc= 0.565 USER MOD Single : A 24 LYS NZ :NH3+ -142:sc= 0.236 (180deg=-0.104) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 32 THR OG1 : rot -160:sc= -0.576 USER MOD Single : A 41 ASN : amide:sc=-0.00571 K(o=-0.0057,f=-2.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 161:sc= -0.46 (180deg=-1.05) USER MOD Single : A 44 ASN : amide:sc= -0.806! C(o=-0.81!,f=-6.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -135:sc= -0.111 (180deg=-1.25) USER MOD Single : A 51 TYR OH : rot 123:sc= -0.1 USER MOD Single : A 56 MET CE :methyl 144:sc= -4.29! (180deg=-4.42!) USER MOD Single : A 59 SER OG : rot 40:sc= 0.0987 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00266 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.0219 (180deg=-0.271) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -9:sc= 0.248 USER MOD Single : A 82 GLN : amide:sc=-0.00857 X(o=-0.0086,f=-0.25) USER MOD Single : A 84 LYS NZ :NH3+ 148:sc= 0.649 (180deg=-0.0293) USER MOD Single : A 87 SER OG : rot -82:sc= 0.902 USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 11.343 1.036 -0.439 1.00 0.00 N ATOM 40 CA GLU A 4 11.129 0.817 1.004 1.00 0.00 C ATOM 41 C GLU A 4 10.505 2.056 1.679 1.00 0.00 C ATOM 42 O GLU A 4 9.893 1.937 2.739 1.00 0.00 O ATOM 43 CB GLU A 4 12.451 0.426 1.712 1.00 0.00 C ATOM 44 CG GLU A 4 13.545 1.503 1.661 1.00 0.00 C ATOM 45 CD GLU A 4 14.836 1.057 2.359 1.00 0.00 C ATOM 46 OE1 GLU A 4 14.854 1.002 3.604 1.00 0.00 O ATOM 47 OE2 GLU A 4 15.830 0.741 1.669 1.00 0.00 O ATOM 0 HA GLU A 4 10.427 -0.011 1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.235 0.195 2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.836 -0.486 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.763 1.747 0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.176 2.414 2.132 1.00 0.00 H new ATOM 54 N GLU A 5 10.655 3.228 1.031 1.00 0.00 N ATOM 55 CA GLU A 5 10.190 4.525 1.558 1.00 0.00 C ATOM 56 C GLU A 5 8.661 4.613 1.491 1.00 0.00 C ATOM 57 O GLU A 5 8.024 5.130 2.407 1.00 0.00 O ATOM 58 CB GLU A 5 10.836 5.694 0.755 1.00 0.00 C ATOM 59 CG GLU A 5 10.613 7.097 1.354 1.00 0.00 C ATOM 60 CD GLU A 5 11.298 7.248 2.720 1.00 0.00 C ATOM 61 OE1 GLU A 5 12.529 7.459 2.753 1.00 0.00 O ATOM 62 OE2 GLU A 5 10.630 7.115 3.757 1.00 0.00 O ATOM 0 H GLU A 5 11.106 3.301 0.119 1.00 0.00 H new ATOM 0 HA GLU A 5 10.495 4.607 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.908 5.514 0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.438 5.681 -0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.999 7.851 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.544 7.281 1.461 1.00 0.00 H new ATOM 69 N VAL A 6 8.085 4.110 0.388 1.00 0.00 N ATOM 70 CA VAL A 6 6.630 4.008 0.221 1.00 0.00 C ATOM 71 C VAL A 6 6.073 2.892 1.132 1.00 0.00 C ATOM 72 O VAL A 6 5.081 3.107 1.832 1.00 0.00 O ATOM 73 CB VAL A 6 6.219 3.805 -1.301 1.00 0.00 C ATOM 74 CG1 VAL A 6 6.978 2.644 -1.976 1.00 0.00 C ATOM 75 CG2 VAL A 6 4.690 3.627 -1.465 1.00 0.00 C ATOM 0 H VAL A 6 8.616 3.763 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 6 6.180 4.952 0.528 1.00 0.00 H new ATOM 0 HB VAL A 6 6.513 4.721 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.656 2.553 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.049 2.843 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.766 1.715 -1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.451 3.491 -2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.363 2.752 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.178 4.512 -1.088 1.00 0.00 H new ATOM 85 N LYS A 7 6.774 1.733 1.182 1.00 0.00 N ATOM 86 CA LYS A 7 6.311 0.539 1.933 1.00 0.00 C ATOM 87 C LYS A 7 6.187 0.800 3.436 1.00 0.00 C ATOM 88 O LYS A 7 5.166 0.450 4.014 1.00 0.00 O ATOM 89 CB LYS A 7 7.242 -0.682 1.703 1.00 0.00 C ATOM 90 CG LYS A 7 7.228 -1.203 0.264 1.00 0.00 C ATOM 91 CD LYS A 7 8.056 -2.484 0.044 1.00 0.00 C ATOM 92 CE LYS A 7 9.505 -2.400 0.541 1.00 0.00 C ATOM 93 NZ LYS A 7 10.207 -3.701 0.406 1.00 0.00 N ATOM 0 H LYS A 7 7.667 1.599 0.708 1.00 0.00 H new ATOM 0 HA LYS A 7 5.319 0.314 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.262 -0.406 1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.944 -1.487 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.196 -1.397 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.606 -0.422 -0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.560 -3.313 0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.064 -2.718 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.040 -1.637 -0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.514 -2.088 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.433 -4.073 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.594 -4.376 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.087 -3.567 -0.132 1.00 0.00 H new ATOM 107 N GLU A 8 7.233 1.402 4.052 1.00 0.00 N ATOM 108 CA GLU A 8 7.235 1.751 5.495 1.00 0.00 C ATOM 109 C GLU A 8 6.010 2.626 5.862 1.00 0.00 C ATOM 110 O GLU A 8 5.346 2.385 6.871 1.00 0.00 O ATOM 111 CB GLU A 8 8.550 2.491 5.895 1.00 0.00 C ATOM 112 CG GLU A 8 8.817 3.806 5.120 1.00 0.00 C ATOM 113 CD GLU A 8 9.585 4.869 5.917 1.00 0.00 C ATOM 114 OE1 GLU A 8 10.829 4.847 5.922 1.00 0.00 O ATOM 115 OE2 GLU A 8 8.928 5.722 6.556 1.00 0.00 O ATOM 0 H GLU A 8 8.093 1.658 3.568 1.00 0.00 H new ATOM 0 HA GLU A 8 7.176 0.816 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.514 2.715 6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.392 1.816 5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.378 3.572 4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.863 4.227 4.803 1.00 0.00 H new ATOM 122 N LYS A 9 5.705 3.604 4.994 1.00 0.00 N ATOM 123 CA LYS A 9 4.606 4.562 5.175 1.00 0.00 C ATOM 124 C LYS A 9 3.248 3.848 5.217 1.00 0.00 C ATOM 125 O LYS A 9 2.409 4.142 6.071 1.00 0.00 O ATOM 126 CB LYS A 9 4.651 5.602 4.024 1.00 0.00 C ATOM 127 CG LYS A 9 5.763 6.656 4.179 1.00 0.00 C ATOM 128 CD LYS A 9 5.972 7.494 2.902 1.00 0.00 C ATOM 129 CE LYS A 9 7.007 8.607 3.111 1.00 0.00 C ATOM 130 NZ LYS A 9 8.160 8.160 3.937 1.00 0.00 N ATOM 0 H LYS A 9 6.227 3.753 4.130 1.00 0.00 H new ATOM 0 HA LYS A 9 4.729 5.072 6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.790 5.077 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.688 6.110 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.516 7.320 5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.697 6.157 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.297 6.844 2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.022 7.934 2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.369 8.950 2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.528 9.460 3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.840 8.941 4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.822 7.873 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.625 7.353 3.475 1.00 0.00 H new ATOM 144 N ILE A 10 3.074 2.874 4.316 1.00 0.00 N ATOM 145 CA ILE A 10 1.799 2.162 4.145 1.00 0.00 C ATOM 146 C ILE A 10 1.630 1.196 5.311 1.00 0.00 C ATOM 147 O ILE A 10 0.617 1.198 5.984 1.00 0.00 O ATOM 148 CB ILE A 10 1.773 1.373 2.791 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.024 2.344 1.607 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.446 0.598 2.605 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.230 1.668 0.267 1.00 0.00 C ATOM 0 H ILE A 10 3.810 2.557 3.686 1.00 0.00 H new ATOM 0 HA ILE A 10 0.982 2.883 4.125 1.00 0.00 H new ATOM 0 HB ILE A 10 2.573 0.633 2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.177 3.026 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.902 2.950 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.467 0.064 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.324 -0.116 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.389 1.299 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.398 2.424 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.096 1.008 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.345 1.085 0.014 1.00 0.00 H new ATOM 163 N ARG A 11 2.699 0.425 5.542 1.00 0.00 N ATOM 164 CA ARG A 11 2.829 -0.584 6.609 1.00 0.00 C ATOM 165 C ARG A 11 2.447 -0.004 7.970 1.00 0.00 C ATOM 166 O ARG A 11 1.713 -0.640 8.724 1.00 0.00 O ATOM 167 CB ARG A 11 4.299 -1.159 6.560 1.00 0.00 C ATOM 168 CG ARG A 11 5.191 -1.126 7.811 1.00 0.00 C ATOM 169 CD ARG A 11 4.893 -2.248 8.821 1.00 0.00 C ATOM 170 NE ARG A 11 5.994 -2.409 9.785 1.00 0.00 N ATOM 171 CZ ARG A 11 6.073 -1.802 10.971 1.00 0.00 C ATOM 172 NH1 ARG A 11 5.119 -0.979 11.378 1.00 0.00 N ATOM 173 NH2 ARG A 11 7.108 -2.023 11.735 1.00 0.00 N ATOM 0 H ARG A 11 3.538 0.488 4.965 1.00 0.00 H new ATOM 0 HA ARG A 11 2.132 -1.407 6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.227 -2.200 6.243 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.829 -0.622 5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.234 -1.196 7.503 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.069 -0.163 8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.970 -2.023 9.355 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.733 -3.186 8.289 1.00 0.00 H new ATOM 0 HE ARG A 11 6.757 -3.034 9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.310 -0.802 10.783 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.193 -0.522 12.287 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.846 -2.654 11.424 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.179 -1.564 12.643 1.00 0.00 H new ATOM 187 N ARG A 12 2.928 1.219 8.252 1.00 0.00 N ATOM 188 CA ARG A 12 2.611 1.922 9.497 1.00 0.00 C ATOM 189 C ARG A 12 1.176 2.469 9.464 1.00 0.00 C ATOM 190 O ARG A 12 0.475 2.383 10.465 1.00 0.00 O ATOM 191 CB ARG A 12 3.645 3.061 9.810 1.00 0.00 C ATOM 192 CG ARG A 12 4.837 2.616 10.705 1.00 0.00 C ATOM 193 CD ARG A 12 5.980 1.914 9.951 1.00 0.00 C ATOM 194 NE ARG A 12 6.856 2.876 9.254 1.00 0.00 N ATOM 195 CZ ARG A 12 8.064 3.271 9.696 1.00 0.00 C ATOM 196 NH1 ARG A 12 8.549 2.805 10.842 1.00 0.00 N ATOM 197 NH2 ARG A 12 8.780 4.139 9.005 1.00 0.00 N ATOM 0 H ARG A 12 3.542 1.740 7.626 1.00 0.00 H new ATOM 0 HA ARG A 12 2.682 1.197 10.307 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.037 3.448 8.869 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.124 3.883 10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.239 3.493 11.213 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.463 1.944 11.477 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.572 1.328 10.654 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.561 1.215 9.227 1.00 0.00 H new ATOM 0 HE ARG A 12 6.522 3.270 8.374 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.005 2.142 11.394 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.466 3.110 11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.418 4.516 8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.695 4.433 9.347 1.00 0.00 H new ATOM 211 N TYR A 13 0.739 3.002 8.306 1.00 0.00 N ATOM 212 CA TYR A 13 -0.610 3.595 8.143 1.00 0.00 C ATOM 213 C TYR A 13 -1.723 2.538 8.329 1.00 0.00 C ATOM 214 O TYR A 13 -2.828 2.862 8.780 1.00 0.00 O ATOM 215 CB TYR A 13 -0.746 4.262 6.759 1.00 0.00 C ATOM 216 CG TYR A 13 -2.109 4.946 6.522 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.509 6.041 7.295 1.00 0.00 C ATOM 218 CD2 TYR A 13 -2.992 4.485 5.547 1.00 0.00 C ATOM 219 CE1 TYR A 13 -3.735 6.638 7.095 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.216 5.082 5.346 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.587 6.155 6.117 1.00 0.00 C ATOM 222 OH TYR A 13 -5.820 6.743 5.921 1.00 0.00 O ATOM 0 H TYR A 13 1.306 3.035 7.459 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.728 4.352 8.918 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.045 5.003 6.645 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.590 3.508 5.987 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.848 6.424 8.059 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.710 3.641 4.936 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.031 7.482 7.701 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.883 4.707 4.584 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.291 6.282 5.195 1.00 0.00 H new ATOM 232 N ILE A 14 -1.421 1.278 7.973 1.00 0.00 N ATOM 233 CA ILE A 14 -2.334 0.146 8.178 1.00 0.00 C ATOM 234 C ILE A 14 -2.540 -0.083 9.697 1.00 0.00 C ATOM 235 O ILE A 14 -3.622 -0.448 10.142 1.00 0.00 O ATOM 236 CB ILE A 14 -1.775 -1.159 7.482 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.567 -0.937 5.946 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.693 -2.381 7.714 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.628 -1.938 5.286 1.00 0.00 C ATOM 0 H ILE A 14 -0.537 1.018 7.535 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.296 0.377 7.721 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.810 -1.368 7.945 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.536 -0.985 5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.177 0.068 5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.269 -3.254 7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.776 -2.576 8.783 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.682 -2.176 7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.542 -1.710 4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.356 -1.876 5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.025 -2.946 5.410 1.00 0.00 H new ATOM 251 N MET A 15 -1.479 0.170 10.473 1.00 0.00 N ATOM 252 CA MET A 15 -1.466 0.014 11.941 1.00 0.00 C ATOM 253 C MET A 15 -2.048 1.257 12.656 1.00 0.00 C ATOM 254 O MET A 15 -2.519 1.159 13.788 1.00 0.00 O ATOM 255 CB MET A 15 0.001 -0.239 12.383 1.00 0.00 C ATOM 256 CG MET A 15 0.663 -1.366 11.590 1.00 0.00 C ATOM 257 SD MET A 15 2.431 -1.489 11.818 1.00 0.00 S ATOM 258 CE MET A 15 2.551 -2.141 13.471 1.00 0.00 C ATOM 0 H MET A 15 -0.588 0.495 10.097 1.00 0.00 H new ATOM 0 HA MET A 15 -2.098 -0.829 12.221 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.578 0.677 12.258 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.020 -0.486 13.445 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.205 -2.313 11.876 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.455 -1.219 10.530 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.533 -2.593 13.613 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.415 -1.334 14.191 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.779 -2.895 13.622 1.00 0.00 H new ATOM 268 N GLU A 16 -1.972 2.425 11.984 1.00 0.00 N ATOM 269 CA GLU A 16 -2.508 3.707 12.496 1.00 0.00 C ATOM 270 C GLU A 16 -4.037 3.750 12.338 1.00 0.00 C ATOM 271 O GLU A 16 -4.783 3.862 13.315 1.00 0.00 O ATOM 272 CB GLU A 16 -1.887 4.907 11.715 1.00 0.00 C ATOM 273 CG GLU A 16 -0.361 5.059 11.849 1.00 0.00 C ATOM 274 CD GLU A 16 0.083 5.437 13.266 1.00 0.00 C ATOM 275 OE1 GLU A 16 0.172 6.645 13.568 1.00 0.00 O ATOM 276 OE2 GLU A 16 0.343 4.533 14.085 1.00 0.00 O ATOM 0 H GLU A 16 -1.535 2.507 11.066 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.247 3.784 13.552 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.134 4.799 10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.359 5.827 12.060 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.118 4.123 11.562 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.015 5.821 11.151 1.00 0.00 H new ATOM 283 N ASP A 17 -4.470 3.653 11.080 1.00 0.00 N ATOM 284 CA ASP A 17 -5.848 3.928 10.652 1.00 0.00 C ATOM 285 C ASP A 17 -6.697 2.643 10.559 1.00 0.00 C ATOM 286 O ASP A 17 -7.770 2.561 11.171 1.00 0.00 O ATOM 287 CB ASP A 17 -5.785 4.649 9.278 1.00 0.00 C ATOM 288 CG ASP A 17 -7.156 4.997 8.675 1.00 0.00 C ATOM 289 OD1 ASP A 17 -7.811 5.940 9.162 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.573 4.348 7.696 1.00 0.00 O ATOM 0 H ASP A 17 -3.861 3.375 10.311 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.335 4.560 11.395 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.208 5.567 9.390 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.243 4.016 8.575 1.00 0.00 H new ATOM 295 N LEU A 18 -6.199 1.642 9.794 1.00 0.00 N ATOM 296 CA LEU A 18 -7.009 0.467 9.367 1.00 0.00 C ATOM 297 C LEU A 18 -7.288 -0.521 10.527 1.00 0.00 C ATOM 298 O LEU A 18 -8.443 -0.885 10.782 1.00 0.00 O ATOM 299 CB LEU A 18 -6.313 -0.267 8.179 1.00 0.00 C ATOM 300 CG LEU A 18 -5.940 0.618 6.938 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.297 -0.219 5.817 1.00 0.00 C ATOM 302 CD2 LEU A 18 -7.151 1.406 6.411 1.00 0.00 C ATOM 0 H LEU A 18 -5.237 1.622 9.457 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.976 0.849 9.040 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.402 -0.734 8.552 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.968 -1.070 7.842 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.200 1.343 7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.052 0.428 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.387 -0.689 6.190 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.996 -0.990 5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.849 2.005 5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.935 0.711 6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.528 2.061 7.196 1.00 0.00 H new ATOM 314 N ILE A 19 -6.223 -0.949 11.219 1.00 0.00 N ATOM 315 CA ILE A 19 -6.287 -2.019 12.242 1.00 0.00 C ATOM 316 C ILE A 19 -6.094 -1.429 13.652 1.00 0.00 C ATOM 317 O ILE A 19 -5.572 -0.317 13.806 1.00 0.00 O ATOM 318 CB ILE A 19 -5.164 -3.098 11.960 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.183 -3.563 10.474 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.262 -4.330 12.894 1.00 0.00 C ATOM 321 CD1 ILE A 19 -4.065 -4.527 10.124 1.00 0.00 C ATOM 0 H ILE A 19 -5.287 -0.566 11.089 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.268 -2.492 12.190 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.217 -2.601 12.169 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.141 -4.039 10.263 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.113 -2.688 9.828 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.466 -5.034 12.652 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.161 -4.010 13.931 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.229 -4.814 12.757 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.142 -4.807 9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.102 -4.048 10.302 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.146 -5.419 10.745 1.00 0.00 H new ATOM 333 N GLY A 20 -6.531 -2.189 14.667 1.00 0.00 N ATOM 334 CA GLY A 20 -6.331 -1.859 16.077 1.00 0.00 C ATOM 335 C GLY A 20 -5.381 -2.873 16.749 1.00 0.00 C ATOM 336 O GLY A 20 -4.166 -2.744 16.602 1.00 0.00 O ATOM 0 H GLY A 20 -7.040 -3.061 14.524 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.918 -0.854 16.165 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.291 -1.856 16.594 1.00 0.00 H new ATOM 340 N PRO A 21 -5.913 -3.938 17.447 1.00 0.00 N ATOM 341 CA PRO A 21 -5.090 -4.879 18.279 1.00 0.00 C ATOM 342 C PRO A 21 -4.198 -5.847 17.454 1.00 0.00 C ATOM 343 O PRO A 21 -3.127 -6.261 17.918 1.00 0.00 O ATOM 344 CB PRO A 21 -6.167 -5.652 19.082 1.00 0.00 C ATOM 345 CG PRO A 21 -7.383 -5.640 18.197 1.00 0.00 C ATOM 346 CD PRO A 21 -7.356 -4.307 17.472 1.00 0.00 C ATOM 0 HA PRO A 21 -4.366 -4.343 18.893 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.845 -6.670 19.299 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.369 -5.171 20.039 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.360 -6.470 17.490 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.295 -5.747 18.785 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.763 -4.393 16.465 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.951 -3.557 17.994 1.00 0.00 H new ATOM 354 N SER A 22 -4.628 -6.176 16.226 1.00 0.00 N ATOM 355 CA SER A 22 -3.890 -7.093 15.317 1.00 0.00 C ATOM 356 C SER A 22 -2.772 -6.338 14.545 1.00 0.00 C ATOM 357 O SER A 22 -2.337 -6.765 13.467 1.00 0.00 O ATOM 358 CB SER A 22 -4.904 -7.765 14.356 1.00 0.00 C ATOM 359 OG SER A 22 -4.289 -8.734 13.516 1.00 0.00 O ATOM 0 H SER A 22 -5.496 -5.819 15.827 1.00 0.00 H new ATOM 0 HA SER A 22 -3.392 -7.866 15.901 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.693 -8.240 14.938 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.378 -7.001 13.740 1.00 0.00 H new ATOM 0 HG SER A 22 -3.371 -8.457 13.315 1.00 0.00 H new ATOM 365 N ALA A 23 -2.265 -5.243 15.143 1.00 0.00 N ATOM 366 CA ALA A 23 -1.252 -4.373 14.538 1.00 0.00 C ATOM 367 C ALA A 23 -0.156 -4.060 15.561 1.00 0.00 C ATOM 368 O ALA A 23 0.217 -2.902 15.772 1.00 0.00 O ATOM 369 CB ALA A 23 -1.909 -3.095 13.999 1.00 0.00 C ATOM 0 H ALA A 23 -2.555 -4.938 16.072 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.786 -4.885 13.696 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.148 -2.456 13.552 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.651 -3.358 13.245 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.395 -2.563 14.817 1.00 0.00 H new ATOM 375 N LYS A 24 0.353 -5.119 16.202 1.00 0.00 N ATOM 376 CA LYS A 24 1.553 -5.046 17.044 1.00 0.00 C ATOM 377 C LYS A 24 2.788 -4.744 16.153 1.00 0.00 C ATOM 378 O LYS A 24 2.703 -4.895 14.931 1.00 0.00 O ATOM 379 CB LYS A 24 1.710 -6.363 17.858 1.00 0.00 C ATOM 380 CG LYS A 24 2.752 -6.282 18.983 1.00 0.00 C ATOM 381 CD LYS A 24 2.909 -7.593 19.764 1.00 0.00 C ATOM 382 CE LYS A 24 3.936 -7.459 20.901 1.00 0.00 C ATOM 383 NZ LYS A 24 5.296 -7.133 20.393 1.00 0.00 N ATOM 0 H LYS A 24 -0.056 -6.052 16.151 1.00 0.00 H new ATOM 0 HA LYS A 24 1.462 -4.235 17.766 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.745 -6.629 18.289 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.987 -7.168 17.177 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.716 -6.004 18.556 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.469 -5.488 19.674 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.945 -7.888 20.178 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.220 -8.386 19.084 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.612 -6.681 21.592 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.974 -8.391 21.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.008 -7.642 20.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.372 -7.420 19.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.460 -6.109 20.472 1.00 0.00 H new ATOM 397 N GLU A 25 3.911 -4.367 16.789 1.00 0.00 N ATOM 398 CA GLU A 25 5.139 -3.833 16.142 1.00 0.00 C ATOM 399 C GLU A 25 5.550 -4.589 14.858 1.00 0.00 C ATOM 400 O GLU A 25 5.998 -3.978 13.885 1.00 0.00 O ATOM 401 CB GLU A 25 6.297 -3.921 17.166 1.00 0.00 C ATOM 402 CG GLU A 25 5.984 -3.334 18.550 1.00 0.00 C ATOM 403 CD GLU A 25 7.049 -3.664 19.603 1.00 0.00 C ATOM 404 OE1 GLU A 25 7.114 -4.832 20.038 1.00 0.00 O ATOM 405 OE2 GLU A 25 7.816 -2.761 20.005 1.00 0.00 O ATOM 0 H GLU A 25 3.999 -4.425 17.804 1.00 0.00 H new ATOM 0 HA GLU A 25 4.926 -2.807 15.841 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.577 -4.968 17.286 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.165 -3.404 16.756 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.890 -2.251 18.465 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.019 -3.712 18.888 1.00 0.00 H new ATOM 412 N ASP A 26 5.367 -5.919 14.859 1.00 0.00 N ATOM 413 CA ASP A 26 5.820 -6.789 13.755 1.00 0.00 C ATOM 414 C ASP A 26 4.667 -7.626 13.168 1.00 0.00 C ATOM 415 O ASP A 26 4.903 -8.510 12.340 1.00 0.00 O ATOM 416 CB ASP A 26 6.982 -7.683 14.269 1.00 0.00 C ATOM 417 CG ASP A 26 7.784 -8.390 13.160 1.00 0.00 C ATOM 418 OD1 ASP A 26 8.499 -7.696 12.403 1.00 0.00 O ATOM 419 OD2 ASP A 26 7.721 -9.635 13.045 1.00 0.00 O ATOM 0 H ASP A 26 4.905 -6.421 15.617 1.00 0.00 H new ATOM 0 HA ASP A 26 6.181 -6.167 12.936 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.664 -7.068 14.857 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.573 -8.437 14.941 1.00 0.00 H new ATOM 424 N GLU A 27 3.404 -7.336 13.574 1.00 0.00 N ATOM 425 CA GLU A 27 2.221 -8.007 12.995 1.00 0.00 C ATOM 426 C GLU A 27 2.081 -7.606 11.526 1.00 0.00 C ATOM 427 O GLU A 27 1.784 -8.428 10.654 1.00 0.00 O ATOM 428 CB GLU A 27 0.934 -7.666 13.790 1.00 0.00 C ATOM 429 CG GLU A 27 0.809 -8.363 15.152 1.00 0.00 C ATOM 430 CD GLU A 27 0.700 -9.888 15.049 1.00 0.00 C ATOM 431 OE1 GLU A 27 -0.412 -10.388 14.791 1.00 0.00 O ATOM 432 OE2 GLU A 27 1.716 -10.589 15.238 1.00 0.00 O ATOM 0 H GLU A 27 3.184 -6.648 14.294 1.00 0.00 H new ATOM 0 HA GLU A 27 2.361 -9.086 13.060 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.896 -6.588 13.946 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.069 -7.931 13.182 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.675 -8.109 15.762 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.070 -7.978 15.669 1.00 0.00 H new ATOM 439 N LEU A 28 2.291 -6.320 11.273 1.00 0.00 N ATOM 440 CA LEU A 28 2.434 -5.793 9.928 1.00 0.00 C ATOM 441 C LEU A 28 3.916 -5.753 9.590 1.00 0.00 C ATOM 442 O LEU A 28 4.726 -5.180 10.328 1.00 0.00 O ATOM 443 CB LEU A 28 1.765 -4.396 9.798 1.00 0.00 C ATOM 444 CG LEU A 28 0.212 -4.403 9.609 1.00 0.00 C ATOM 445 CD1 LEU A 28 -0.181 -5.078 8.286 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.515 -5.054 10.806 1.00 0.00 C ATOM 0 H LEU A 28 2.367 -5.611 12.003 1.00 0.00 H new ATOM 0 HA LEU A 28 1.922 -6.439 9.215 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.001 -3.816 10.690 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.213 -3.876 8.951 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.111 -3.363 9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.266 -5.069 8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.269 -4.537 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.175 -6.108 8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.591 -5.037 10.631 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.182 -6.086 10.917 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.286 -4.499 11.716 1.00 0.00 H new ATOM 458 N ASP A 29 4.253 -6.429 8.505 1.00 0.00 N ATOM 459 CA ASP A 29 5.606 -6.499 7.970 1.00 0.00 C ATOM 460 C ASP A 29 5.549 -6.269 6.455 1.00 0.00 C ATOM 461 O ASP A 29 4.466 -6.228 5.852 1.00 0.00 O ATOM 462 CB ASP A 29 6.227 -7.887 8.324 1.00 0.00 C ATOM 463 CG ASP A 29 7.700 -8.027 7.921 1.00 0.00 C ATOM 464 OD1 ASP A 29 8.561 -7.407 8.575 1.00 0.00 O ATOM 465 OD2 ASP A 29 8.004 -8.721 6.917 1.00 0.00 O ATOM 0 H ASP A 29 3.577 -6.959 7.956 1.00 0.00 H new ATOM 0 HA ASP A 29 6.240 -5.729 8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.137 -8.052 9.398 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.649 -8.669 7.832 1.00 0.00 H new ATOM 470 N ASP A 30 6.728 -6.128 5.869 1.00 0.00 N ATOM 471 CA ASP A 30 6.923 -5.948 4.429 1.00 0.00 C ATOM 472 C ASP A 30 6.356 -7.123 3.617 1.00 0.00 C ATOM 473 O ASP A 30 5.756 -6.931 2.554 1.00 0.00 O ATOM 474 CB ASP A 30 8.445 -5.789 4.161 1.00 0.00 C ATOM 475 CG ASP A 30 8.809 -5.715 2.672 1.00 0.00 C ATOM 476 OD1 ASP A 30 8.117 -5.009 1.933 1.00 0.00 O ATOM 477 OD2 ASP A 30 9.798 -6.351 2.234 1.00 0.00 O ATOM 0 H ASP A 30 7.604 -6.135 6.392 1.00 0.00 H new ATOM 0 HA ASP A 30 6.382 -5.058 4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.799 -4.885 4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.973 -6.628 4.613 1.00 0.00 H new ATOM 482 N GLN A 31 6.538 -8.329 4.142 1.00 0.00 N ATOM 483 CA GLN A 31 6.283 -9.577 3.406 1.00 0.00 C ATOM 484 C GLN A 31 5.114 -10.348 4.036 1.00 0.00 C ATOM 485 O GLN A 31 4.904 -11.533 3.737 1.00 0.00 O ATOM 486 CB GLN A 31 7.600 -10.401 3.380 1.00 0.00 C ATOM 487 CG GLN A 31 8.754 -9.684 2.649 1.00 0.00 C ATOM 488 CD GLN A 31 10.127 -10.336 2.821 1.00 0.00 C ATOM 489 OE1 GLN A 31 10.249 -11.555 2.980 1.00 0.00 O ATOM 490 NE2 GLN A 31 11.169 -9.518 2.809 1.00 0.00 N ATOM 0 H GLN A 31 6.868 -8.477 5.096 1.00 0.00 H new ATOM 0 HA GLN A 31 5.985 -9.366 2.379 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.906 -10.616 4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.412 -11.359 2.895 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.519 -9.640 1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.808 -8.656 3.007 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.030 -8.516 2.675 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.111 -9.890 2.934 1.00 0.00 H new ATOM 499 N THR A 32 4.359 -9.657 4.918 1.00 0.00 N ATOM 500 CA THR A 32 3.095 -10.151 5.471 1.00 0.00 C ATOM 501 C THR A 32 2.063 -10.364 4.328 1.00 0.00 C ATOM 502 O THR A 32 1.900 -9.481 3.473 1.00 0.00 O ATOM 503 CB THR A 32 2.545 -9.153 6.552 1.00 0.00 C ATOM 504 OG1 THR A 32 3.415 -9.147 7.688 1.00 0.00 O ATOM 505 CG2 THR A 32 1.119 -9.477 7.026 1.00 0.00 C ATOM 0 H THR A 32 4.619 -8.733 5.264 1.00 0.00 H new ATOM 0 HA THR A 32 3.269 -11.110 5.958 1.00 0.00 H new ATOM 0 HB THR A 32 2.510 -8.175 6.071 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.935 -8.793 8.466 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.808 -8.745 7.771 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.437 -9.442 6.177 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.100 -10.474 7.466 1.00 0.00 H new ATOM 513 N PRO A 33 1.400 -11.563 4.263 1.00 0.00 N ATOM 514 CA PRO A 33 0.303 -11.804 3.310 1.00 0.00 C ATOM 515 C PRO A 33 -0.948 -10.983 3.702 1.00 0.00 C ATOM 516 O PRO A 33 -1.821 -11.449 4.440 1.00 0.00 O ATOM 517 CB PRO A 33 0.069 -13.333 3.415 1.00 0.00 C ATOM 518 CG PRO A 33 0.539 -13.703 4.798 1.00 0.00 C ATOM 519 CD PRO A 33 1.693 -12.765 5.099 1.00 0.00 C ATOM 0 HA PRO A 33 0.530 -11.496 2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.983 -13.582 3.275 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.628 -13.872 2.650 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.262 -13.587 5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.859 -14.744 4.838 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.739 -12.514 6.159 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.652 -13.212 4.835 1.00 0.00 H new ATOM 527 N LEU A 34 -0.984 -9.735 3.214 1.00 0.00 N ATOM 528 CA LEU A 34 -1.974 -8.712 3.609 1.00 0.00 C ATOM 529 C LEU A 34 -3.424 -9.149 3.268 1.00 0.00 C ATOM 530 O LEU A 34 -4.361 -8.921 4.048 1.00 0.00 O ATOM 531 CB LEU A 34 -1.605 -7.375 2.906 1.00 0.00 C ATOM 532 CG LEU A 34 -0.155 -6.831 3.171 1.00 0.00 C ATOM 533 CD1 LEU A 34 0.166 -5.590 2.311 1.00 0.00 C ATOM 534 CD2 LEU A 34 0.080 -6.547 4.670 1.00 0.00 C ATOM 0 H LEU A 34 -0.316 -9.398 2.521 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.943 -8.581 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.731 -7.507 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.319 -6.614 3.220 1.00 0.00 H new ATOM 0 HG LEU A 34 0.536 -7.619 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.178 -5.249 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.089 -5.849 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.542 -4.794 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.093 -6.172 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.636 -5.801 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.051 -7.467 5.240 1.00 0.00 H new ATOM 546 N LEU A 35 -3.591 -9.805 2.107 1.00 0.00 N ATOM 547 CA LEU A 35 -4.901 -10.321 1.651 1.00 0.00 C ATOM 548 C LEU A 35 -5.348 -11.541 2.477 1.00 0.00 C ATOM 549 O LEU A 35 -6.547 -11.734 2.713 1.00 0.00 O ATOM 550 CB LEU A 35 -4.825 -10.712 0.163 1.00 0.00 C ATOM 551 CG LEU A 35 -4.406 -9.576 -0.806 1.00 0.00 C ATOM 552 CD1 LEU A 35 -4.268 -10.104 -2.237 1.00 0.00 C ATOM 553 CD2 LEU A 35 -5.367 -8.363 -0.729 1.00 0.00 C ATOM 0 H LEU A 35 -2.827 -9.994 1.458 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.635 -9.527 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.118 -11.535 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.800 -11.088 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.427 -9.216 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.973 -9.289 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.509 -10.886 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.223 -10.513 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.036 -7.592 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.376 -8.681 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.367 -7.962 0.285 1.00 0.00 H new ATOM 565 N GLU A 36 -4.367 -12.355 2.899 1.00 0.00 N ATOM 566 CA GLU A 36 -4.614 -13.568 3.702 1.00 0.00 C ATOM 567 C GLU A 36 -5.088 -13.188 5.110 1.00 0.00 C ATOM 568 O GLU A 36 -5.904 -13.887 5.710 1.00 0.00 O ATOM 569 CB GLU A 36 -3.330 -14.421 3.773 1.00 0.00 C ATOM 570 CG GLU A 36 -3.467 -15.758 4.533 1.00 0.00 C ATOM 571 CD GLU A 36 -4.505 -16.712 3.913 1.00 0.00 C ATOM 572 OE1 GLU A 36 -4.545 -16.836 2.669 1.00 0.00 O ATOM 573 OE2 GLU A 36 -5.252 -17.371 4.660 1.00 0.00 O ATOM 0 H GLU A 36 -3.381 -12.193 2.695 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.398 -14.156 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.997 -14.632 2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.547 -13.830 4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.497 -16.255 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.745 -15.553 5.567 1.00 0.00 H new ATOM 580 N TRP A 37 -4.567 -12.065 5.618 1.00 0.00 N ATOM 581 CA TRP A 37 -5.037 -11.475 6.884 1.00 0.00 C ATOM 582 C TRP A 37 -6.450 -10.868 6.731 1.00 0.00 C ATOM 583 O TRP A 37 -7.162 -10.691 7.722 1.00 0.00 O ATOM 584 CB TRP A 37 -4.025 -10.397 7.377 1.00 0.00 C ATOM 585 CG TRP A 37 -2.765 -10.972 7.987 1.00 0.00 C ATOM 586 CD1 TRP A 37 -1.985 -11.975 7.482 1.00 0.00 C ATOM 587 CD2 TRP A 37 -2.151 -10.578 9.224 1.00 0.00 C ATOM 588 NE1 TRP A 37 -0.940 -12.227 8.322 1.00 0.00 N ATOM 589 CE2 TRP A 37 -1.017 -11.390 9.397 1.00 0.00 C ATOM 590 CE3 TRP A 37 -2.455 -9.612 10.198 1.00 0.00 C ATOM 591 CZ2 TRP A 37 -0.188 -11.278 10.501 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -1.625 -9.503 11.298 1.00 0.00 C ATOM 593 CH2 TRP A 37 -0.504 -10.335 11.439 1.00 0.00 C ATOM 0 H TRP A 37 -3.815 -11.541 5.171 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.100 -12.269 7.629 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.752 -9.758 6.537 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.516 -9.762 8.114 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.170 -12.493 6.552 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.216 -12.929 8.171 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.317 -8.970 10.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.678 -11.913 10.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.842 -8.768 12.059 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.125 -10.228 12.310 1.00 0.00 H new ATOM 604 N GLY A 38 -6.837 -10.548 5.477 1.00 0.00 N ATOM 605 CA GLY A 38 -8.165 -9.998 5.173 1.00 0.00 C ATOM 606 C GLY A 38 -8.293 -8.533 5.558 1.00 0.00 C ATOM 607 O GLY A 38 -9.391 -7.967 5.540 1.00 0.00 O ATOM 0 H GLY A 38 -6.240 -10.664 4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.365 -10.109 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.923 -10.576 5.701 1.00 0.00 H new ATOM 611 N ILE A 39 -7.144 -7.923 5.875 1.00 0.00 N ATOM 612 CA ILE A 39 -7.050 -6.540 6.344 1.00 0.00 C ATOM 613 C ILE A 39 -7.173 -5.555 5.172 1.00 0.00 C ATOM 614 O ILE A 39 -7.379 -4.371 5.394 1.00 0.00 O ATOM 615 CB ILE A 39 -5.701 -6.311 7.116 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.472 -6.572 6.181 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.655 -7.204 8.385 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.114 -6.446 6.842 1.00 0.00 C ATOM 0 H ILE A 39 -6.238 -8.388 5.811 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.877 -6.357 7.030 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.649 -5.270 7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.562 -7.574 5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.517 -5.873 5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.716 -7.038 8.913 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.489 -6.950 9.039 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.728 -8.252 8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.333 -6.646 6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.993 -5.437 7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.038 -7.165 7.658 1.00 0.00 H new ATOM 630 N LEU A 40 -7.019 -6.069 3.930 1.00 0.00 N ATOM 631 CA LEU A 40 -7.184 -5.273 2.698 1.00 0.00 C ATOM 632 C LEU A 40 -8.460 -5.729 1.967 1.00 0.00 C ATOM 633 O LEU A 40 -8.538 -6.847 1.447 1.00 0.00 O ATOM 634 CB LEU A 40 -5.950 -5.399 1.754 1.00 0.00 C ATOM 635 CG LEU A 40 -4.569 -4.927 2.320 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.511 -4.850 1.198 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.682 -3.587 3.087 1.00 0.00 C ATOM 0 H LEU A 40 -6.778 -7.045 3.757 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.270 -4.223 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.855 -6.444 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.157 -4.829 0.848 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.240 -5.675 3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.560 -4.520 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.387 -5.835 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.838 -4.141 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.700 -3.298 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.056 -2.814 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.370 -3.704 3.924 1.00 0.00 H new ATOM 649 N ASN A 41 -9.457 -4.847 1.996 1.00 0.00 N ATOM 650 CA ASN A 41 -10.756 -5.007 1.316 1.00 0.00 C ATOM 651 C ASN A 41 -11.039 -3.744 0.486 1.00 0.00 C ATOM 652 O ASN A 41 -10.227 -2.816 0.478 1.00 0.00 O ATOM 653 CB ASN A 41 -11.869 -5.250 2.369 1.00 0.00 C ATOM 654 CG ASN A 41 -12.003 -4.110 3.391 1.00 0.00 C ATOM 655 OD1 ASN A 41 -12.757 -3.156 3.186 1.00 0.00 O ATOM 656 ND2 ASN A 41 -11.257 -4.193 4.492 1.00 0.00 N ATOM 0 H ASN A 41 -9.388 -3.968 2.509 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.733 -5.868 0.648 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.822 -5.382 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.661 -6.180 2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.300 -3.454 5.194 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.643 -4.995 4.633 1.00 0.00 H new ATOM 663 N SER A 42 -12.190 -3.704 -0.187 1.00 0.00 N ATOM 664 CA SER A 42 -12.510 -2.634 -1.145 1.00 0.00 C ATOM 665 C SER A 42 -12.844 -1.284 -0.457 1.00 0.00 C ATOM 666 O SER A 42 -12.633 -0.215 -1.042 1.00 0.00 O ATOM 667 CB SER A 42 -13.681 -3.078 -2.020 1.00 0.00 C ATOM 668 OG SER A 42 -13.942 -2.126 -3.045 1.00 0.00 O ATOM 0 H SER A 42 -12.924 -4.405 -0.088 1.00 0.00 H new ATOM 0 HA SER A 42 -11.621 -2.462 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.459 -4.047 -2.467 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.571 -3.208 -1.404 1.00 0.00 H new ATOM 0 HG SER A 42 -14.694 -2.433 -3.593 1.00 0.00 H new ATOM 673 N MET A 43 -13.381 -1.322 0.770 1.00 0.00 N ATOM 674 CA MET A 43 -13.774 -0.096 1.499 1.00 0.00 C ATOM 675 C MET A 43 -12.548 0.666 2.017 1.00 0.00 C ATOM 676 O MET A 43 -12.504 1.889 1.936 1.00 0.00 O ATOM 677 CB MET A 43 -14.761 -0.436 2.654 1.00 0.00 C ATOM 678 CG MET A 43 -16.162 -0.909 2.188 1.00 0.00 C ATOM 679 SD MET A 43 -17.383 0.431 2.011 1.00 0.00 S ATOM 680 CE MET A 43 -16.774 1.480 0.674 1.00 0.00 C ATOM 0 H MET A 43 -13.555 -2.186 1.283 1.00 0.00 H new ATOM 0 HA MET A 43 -14.289 0.561 0.798 1.00 0.00 H new ATOM 0 HB2 MET A 43 -14.318 -1.214 3.276 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.881 0.446 3.283 1.00 0.00 H new ATOM 0 HG2 MET A 43 -16.060 -1.421 1.231 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.542 -1.640 2.902 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.591 2.090 0.289 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.984 2.129 1.052 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.379 0.856 -0.127 1.00 0.00 H new ATOM 690 N ASN A 44 -11.556 -0.056 2.556 1.00 0.00 N ATOM 691 CA ASN A 44 -10.323 0.570 3.095 1.00 0.00 C ATOM 692 C ASN A 44 -9.211 0.709 2.029 1.00 0.00 C ATOM 693 O ASN A 44 -8.190 1.357 2.294 1.00 0.00 O ATOM 694 CB ASN A 44 -9.800 -0.171 4.344 1.00 0.00 C ATOM 695 CG ASN A 44 -9.063 -1.465 4.047 1.00 0.00 C ATOM 696 OD1 ASN A 44 -9.368 -2.173 3.104 1.00 0.00 O ATOM 697 ND2 ASN A 44 -8.064 -1.747 4.842 1.00 0.00 N ATOM 0 H ASN A 44 -11.575 -1.073 2.634 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.605 1.579 3.397 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.133 0.494 4.893 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.642 -0.390 5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.507 -2.587 4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.841 -1.127 5.621 1.00 0.00 H new ATOM 704 N ILE A 45 -9.372 0.043 0.855 1.00 0.00 N ATOM 705 CA ILE A 45 -8.391 0.144 -0.260 1.00 0.00 C ATOM 706 C ILE A 45 -8.223 1.618 -0.709 1.00 0.00 C ATOM 707 O ILE A 45 -7.139 2.026 -1.130 1.00 0.00 O ATOM 708 CB ILE A 45 -8.776 -0.783 -1.502 1.00 0.00 C ATOM 709 CG1 ILE A 45 -7.505 -1.187 -2.313 1.00 0.00 C ATOM 710 CG2 ILE A 45 -9.834 -0.137 -2.440 1.00 0.00 C ATOM 711 CD1 ILE A 45 -6.523 -2.070 -1.552 1.00 0.00 C ATOM 0 H ILE A 45 -10.166 -0.566 0.656 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.438 -0.220 0.123 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.232 -1.680 -1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.817 -1.709 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.989 -0.281 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.053 -0.816 -3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.747 0.058 -1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.445 0.801 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.671 -2.301 -2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.177 -1.545 -0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.018 -2.996 -1.258 1.00 0.00 H new ATOM 723 N VAL A 46 -9.317 2.404 -0.570 1.00 0.00 N ATOM 724 CA VAL A 46 -9.328 3.837 -0.897 1.00 0.00 C ATOM 725 C VAL A 46 -8.581 4.656 0.184 1.00 0.00 C ATOM 726 O VAL A 46 -8.000 5.681 -0.133 1.00 0.00 O ATOM 727 CB VAL A 46 -10.796 4.387 -1.102 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.518 3.635 -2.261 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.628 4.340 0.206 1.00 0.00 C ATOM 0 H VAL A 46 -10.213 2.056 -0.228 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.803 3.955 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.709 5.437 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.526 4.033 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.961 3.774 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.573 2.572 -2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.629 4.728 0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.699 3.310 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.142 4.949 0.968 1.00 0.00 H new ATOM 739 N LYS A 47 -8.586 4.172 1.451 1.00 0.00 N ATOM 740 CA LYS A 47 -7.853 4.811 2.568 1.00 0.00 C ATOM 741 C LYS A 47 -6.347 4.776 2.286 1.00 0.00 C ATOM 742 O LYS A 47 -5.630 5.749 2.540 1.00 0.00 O ATOM 743 CB LYS A 47 -8.149 4.089 3.915 1.00 0.00 C ATOM 744 CG LYS A 47 -9.635 4.067 4.342 1.00 0.00 C ATOM 745 CD LYS A 47 -10.192 5.474 4.653 1.00 0.00 C ATOM 746 CE LYS A 47 -9.500 6.144 5.860 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.120 7.430 6.240 1.00 0.00 N ATOM 0 H LYS A 47 -9.096 3.332 1.724 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.188 5.845 2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.794 3.061 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.569 4.572 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.229 3.614 3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.745 3.435 5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.072 6.108 3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.262 5.400 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.532 5.466 6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.449 6.310 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.614 7.832 7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.067 8.091 5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.116 7.273 6.494 1.00 0.00 H new ATOM 761 N LEU A 48 -5.882 3.632 1.751 1.00 0.00 N ATOM 762 CA LEU A 48 -4.511 3.487 1.284 1.00 0.00 C ATOM 763 C LEU A 48 -4.278 4.350 0.036 1.00 0.00 C ATOM 764 O LEU A 48 -3.338 5.124 0.009 1.00 0.00 O ATOM 765 CB LEU A 48 -4.172 1.991 1.023 1.00 0.00 C ATOM 766 CG LEU A 48 -4.026 1.101 2.298 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.635 -0.347 1.939 1.00 0.00 C ATOM 768 CD2 LEU A 48 -3.027 1.722 3.299 1.00 0.00 C ATOM 0 H LEU A 48 -6.450 2.793 1.635 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.836 3.841 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.952 1.565 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.241 1.941 0.458 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.001 1.061 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.543 -0.936 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.403 -0.784 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.682 -0.346 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.946 1.081 4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.049 1.816 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.380 2.708 3.601 1.00 0.00 H new ATOM 780 N MET A 49 -5.168 4.259 -0.969 1.00 0.00 N ATOM 781 CA MET A 49 -4.984 4.987 -2.248 1.00 0.00 C ATOM 782 C MET A 49 -4.882 6.523 -2.059 1.00 0.00 C ATOM 783 O MET A 49 -4.075 7.162 -2.738 1.00 0.00 O ATOM 784 CB MET A 49 -6.099 4.644 -3.276 1.00 0.00 C ATOM 785 CG MET A 49 -5.942 3.270 -3.954 1.00 0.00 C ATOM 786 SD MET A 49 -6.964 3.101 -5.432 1.00 0.00 S ATOM 787 CE MET A 49 -8.603 2.896 -4.752 1.00 0.00 C ATOM 0 H MET A 49 -6.017 3.695 -0.926 1.00 0.00 H new ATOM 0 HA MET A 49 -4.029 4.644 -2.646 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.064 4.677 -2.771 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.115 5.415 -4.046 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.896 3.119 -4.221 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.206 2.487 -3.243 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.113 2.083 -5.269 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.530 2.661 -3.690 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.168 3.819 -4.881 1.00 0.00 H new ATOM 797 N VAL A 50 -5.676 7.095 -1.124 1.00 0.00 N ATOM 798 CA VAL A 50 -5.660 8.549 -0.830 1.00 0.00 C ATOM 799 C VAL A 50 -4.382 8.925 -0.037 1.00 0.00 C ATOM 800 O VAL A 50 -3.859 10.034 -0.179 1.00 0.00 O ATOM 801 CB VAL A 50 -6.951 9.042 -0.051 1.00 0.00 C ATOM 802 CG1 VAL A 50 -8.247 8.741 -0.855 1.00 0.00 C ATOM 803 CG2 VAL A 50 -7.026 8.446 1.380 1.00 0.00 C ATOM 0 H VAL A 50 -6.340 6.568 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.660 9.060 -1.793 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.868 10.124 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.113 9.091 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.206 9.253 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.332 7.667 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.925 8.809 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.059 7.358 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.147 8.752 1.948 1.00 0.00 H new ATOM 813 N TYR A 51 -3.886 7.970 0.780 1.00 0.00 N ATOM 814 CA TYR A 51 -2.641 8.124 1.546 1.00 0.00 C ATOM 815 C TYR A 51 -1.435 8.223 0.587 1.00 0.00 C ATOM 816 O TYR A 51 -0.643 9.156 0.677 1.00 0.00 O ATOM 817 CB TYR A 51 -2.480 6.935 2.526 1.00 0.00 C ATOM 818 CG TYR A 51 -1.191 6.988 3.362 1.00 0.00 C ATOM 819 CD1 TYR A 51 -1.082 7.864 4.445 1.00 0.00 C ATOM 820 CD2 TYR A 51 -0.089 6.185 3.050 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.076 7.932 5.190 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.063 6.248 3.791 1.00 0.00 C ATOM 823 CZ TYR A 51 1.145 7.126 4.857 1.00 0.00 C ATOM 824 OH TYR A 51 2.304 7.208 5.592 1.00 0.00 O ATOM 0 H TYR A 51 -4.343 7.070 0.923 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.684 9.045 2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.337 6.913 3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.496 6.004 1.959 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.918 8.498 4.702 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.146 5.505 2.213 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.146 8.611 6.027 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.902 5.615 3.544 1.00 0.00 H new ATOM 0 HH TYR A 51 2.527 6.324 5.952 1.00 0.00 H new ATOM 834 N ILE A 52 -1.320 7.243 -0.338 1.00 0.00 N ATOM 835 CA ILE A 52 -0.276 7.236 -1.393 1.00 0.00 C ATOM 836 C ILE A 52 -0.445 8.464 -2.324 1.00 0.00 C ATOM 837 O ILE A 52 0.540 9.024 -2.816 1.00 0.00 O ATOM 838 CB ILE A 52 -0.266 5.875 -2.238 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.306 4.657 -1.415 1.00 0.00 C ATOM 840 CG2 ILE A 52 0.518 6.005 -3.573 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.531 4.173 -0.244 1.00 0.00 C ATOM 0 H ILE A 52 -1.944 6.437 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 52 0.690 7.299 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.313 5.679 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.449 3.821 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.291 4.933 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.492 5.054 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.060 6.778 -4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.553 6.275 -3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.030 3.334 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.655 4.983 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.509 3.854 -0.603 1.00 0.00 H new ATOM 853 N ARG A 53 -1.707 8.892 -2.520 1.00 0.00 N ATOM 854 CA ARG A 53 -2.050 10.040 -3.380 1.00 0.00 C ATOM 855 C ARG A 53 -1.460 11.360 -2.836 1.00 0.00 C ATOM 856 O ARG A 53 -1.059 12.220 -3.621 1.00 0.00 O ATOM 857 CB ARG A 53 -3.590 10.152 -3.558 1.00 0.00 C ATOM 858 CG ARG A 53 -4.053 11.250 -4.537 1.00 0.00 C ATOM 859 CD ARG A 53 -3.433 11.075 -5.930 1.00 0.00 C ATOM 860 NE ARG A 53 -3.845 12.147 -6.858 1.00 0.00 N ATOM 861 CZ ARG A 53 -3.040 12.767 -7.739 1.00 0.00 C ATOM 862 NH1 ARG A 53 -1.752 12.444 -7.842 1.00 0.00 N ATOM 863 NH2 ARG A 53 -3.535 13.709 -8.515 1.00 0.00 N ATOM 0 H ARG A 53 -2.518 8.451 -2.086 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.602 9.864 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.972 9.192 -3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.041 10.341 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.140 11.229 -4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.782 12.228 -4.140 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.346 11.067 -5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.728 10.109 -6.339 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.821 12.442 -6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.360 11.715 -7.246 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.158 12.926 -8.517 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.521 13.962 -8.444 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.933 14.185 -9.186 1.00 0.00 H new ATOM 877 N ASP A 54 -1.423 11.520 -1.505 1.00 0.00 N ATOM 878 CA ASP A 54 -0.830 12.717 -0.857 1.00 0.00 C ATOM 879 C ASP A 54 0.687 12.557 -0.669 1.00 0.00 C ATOM 880 O ASP A 54 1.472 13.376 -1.164 1.00 0.00 O ATOM 881 CB ASP A 54 -1.524 13.005 0.509 1.00 0.00 C ATOM 882 CG ASP A 54 -2.894 13.668 0.334 1.00 0.00 C ATOM 883 OD1 ASP A 54 -3.901 12.958 0.177 1.00 0.00 O ATOM 884 OD2 ASP A 54 -2.964 14.915 0.316 1.00 0.00 O ATOM 0 H ASP A 54 -1.797 10.836 -0.847 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.997 13.569 -1.517 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.642 12.071 1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.884 13.650 1.111 1.00 0.00 H new ATOM 889 N GLU A 55 1.078 11.486 0.034 1.00 0.00 N ATOM 890 CA GLU A 55 2.470 11.250 0.464 1.00 0.00 C ATOM 891 C GLU A 55 3.407 10.992 -0.737 1.00 0.00 C ATOM 892 O GLU A 55 4.398 11.702 -0.928 1.00 0.00 O ATOM 893 CB GLU A 55 2.510 10.060 1.452 1.00 0.00 C ATOM 894 CG GLU A 55 1.635 10.238 2.705 1.00 0.00 C ATOM 895 CD GLU A 55 2.046 11.451 3.548 1.00 0.00 C ATOM 896 OE1 GLU A 55 3.133 11.402 4.164 1.00 0.00 O ATOM 897 OE2 GLU A 55 1.312 12.460 3.581 1.00 0.00 O ATOM 0 H GLU A 55 0.434 10.750 0.325 1.00 0.00 H new ATOM 0 HA GLU A 55 2.830 12.150 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.192 9.159 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.542 9.899 1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.593 10.347 2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.697 9.338 3.317 1.00 0.00 H new ATOM 904 N MET A 56 3.082 9.962 -1.535 1.00 0.00 N ATOM 905 CA MET A 56 3.871 9.592 -2.734 1.00 0.00 C ATOM 906 C MET A 56 3.440 10.419 -3.966 1.00 0.00 C ATOM 907 O MET A 56 4.165 10.462 -4.967 1.00 0.00 O ATOM 908 CB MET A 56 3.762 8.058 -3.013 1.00 0.00 C ATOM 909 CG MET A 56 4.836 7.204 -2.322 1.00 0.00 C ATOM 910 SD MET A 56 4.900 7.411 -0.520 1.00 0.00 S ATOM 911 CE MET A 56 3.277 6.842 -0.018 1.00 0.00 C ATOM 0 H MET A 56 2.272 9.363 -1.374 1.00 0.00 H new ATOM 0 HA MET A 56 4.917 9.825 -2.536 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.779 7.713 -2.691 1.00 0.00 H new ATOM 0 HB3 MET A 56 3.822 7.893 -4.089 1.00 0.00 H new ATOM 0 HG2 MET A 56 4.653 6.154 -2.550 1.00 0.00 H new ATOM 0 HG3 MET A 56 5.810 7.456 -2.741 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.354 6.318 0.935 1.00 0.00 H new ATOM 0 HE2 MET A 56 2.609 7.697 0.090 1.00 0.00 H new ATOM 0 HE3 MET A 56 2.879 6.164 -0.773 1.00 0.00 H new ATOM 921 N GLY A 57 2.252 11.052 -3.889 1.00 0.00 N ATOM 922 CA GLY A 57 1.717 11.867 -4.984 1.00 0.00 C ATOM 923 C GLY A 57 1.155 11.041 -6.140 1.00 0.00 C ATOM 924 O GLY A 57 0.911 11.573 -7.221 1.00 0.00 O ATOM 0 H GLY A 57 1.645 11.010 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.931 12.514 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.506 12.517 -5.362 1.00 0.00 H new ATOM 928 N VAL A 58 0.920 9.740 -5.898 1.00 0.00 N ATOM 929 CA VAL A 58 0.584 8.761 -6.953 1.00 0.00 C ATOM 930 C VAL A 58 -0.915 8.427 -6.925 1.00 0.00 C ATOM 931 O VAL A 58 -1.444 8.004 -5.889 1.00 0.00 O ATOM 932 CB VAL A 58 1.417 7.438 -6.780 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.116 6.407 -7.899 1.00 0.00 C ATOM 934 CG2 VAL A 58 2.927 7.748 -6.680 1.00 0.00 C ATOM 0 H VAL A 58 0.957 9.334 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 58 0.834 9.213 -7.913 1.00 0.00 H new ATOM 0 HB VAL A 58 1.107 6.977 -5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.714 5.510 -7.738 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.058 6.146 -7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.364 6.839 -8.868 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.482 6.818 -6.561 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.256 8.253 -7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.110 8.392 -5.820 1.00 0.00 H new ATOM 944 N SER A 59 -1.583 8.622 -8.067 1.00 0.00 N ATOM 945 CA SER A 59 -2.976 8.224 -8.260 1.00 0.00 C ATOM 946 C SER A 59 -3.038 6.756 -8.712 1.00 0.00 C ATOM 947 O SER A 59 -2.567 6.411 -9.804 1.00 0.00 O ATOM 948 CB SER A 59 -3.659 9.165 -9.283 1.00 0.00 C ATOM 949 OG SER A 59 -2.894 9.314 -10.470 1.00 0.00 O ATOM 0 H SER A 59 -1.167 9.064 -8.887 1.00 0.00 H new ATOM 0 HA SER A 59 -3.517 8.310 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.644 8.771 -9.535 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.814 10.143 -8.827 1.00 0.00 H new ATOM 0 HG SER A 59 -2.509 8.449 -10.722 1.00 0.00 H new ATOM 955 N ILE A 60 -3.565 5.887 -7.839 1.00 0.00 N ATOM 956 CA ILE A 60 -3.777 4.470 -8.146 1.00 0.00 C ATOM 957 C ILE A 60 -5.202 4.296 -8.716 1.00 0.00 C ATOM 958 O ILE A 60 -6.179 4.627 -8.034 1.00 0.00 O ATOM 959 CB ILE A 60 -3.581 3.554 -6.874 1.00 0.00 C ATOM 960 CG1 ILE A 60 -2.150 3.742 -6.265 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.861 2.063 -7.206 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.886 2.963 -4.973 1.00 0.00 C ATOM 0 H ILE A 60 -3.857 6.150 -6.898 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.034 4.158 -8.880 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.307 3.864 -6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.413 3.441 -7.009 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.991 4.803 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.718 1.458 -6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.887 1.955 -7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.175 1.728 -7.984 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.870 3.159 -4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.594 3.279 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.006 1.896 -5.160 1.00 0.00 H new ATOM 974 N PRO A 61 -5.342 3.825 -9.993 1.00 0.00 N ATOM 975 CA PRO A 61 -6.659 3.490 -10.580 1.00 0.00 C ATOM 976 C PRO A 61 -7.170 2.096 -10.130 1.00 0.00 C ATOM 977 O PRO A 61 -6.384 1.255 -9.663 1.00 0.00 O ATOM 978 CB PRO A 61 -6.362 3.529 -12.098 1.00 0.00 C ATOM 979 CG PRO A 61 -4.933 3.080 -12.208 1.00 0.00 C ATOM 980 CD PRO A 61 -4.236 3.624 -10.977 1.00 0.00 C ATOM 0 HA PRO A 61 -7.451 4.171 -10.270 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.030 2.869 -12.651 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.496 4.532 -12.504 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.866 1.993 -12.247 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.472 3.461 -13.119 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.489 2.925 -10.600 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.719 4.559 -11.192 1.00 0.00 H new ATOM 988 N SER A 62 -8.482 1.858 -10.316 1.00 0.00 N ATOM 989 CA SER A 62 -9.151 0.599 -9.924 1.00 0.00 C ATOM 990 C SER A 62 -8.659 -0.609 -10.766 1.00 0.00 C ATOM 991 O SER A 62 -8.752 -1.755 -10.317 1.00 0.00 O ATOM 992 CB SER A 62 -10.689 0.768 -10.014 1.00 0.00 C ATOM 993 OG SER A 62 -11.074 1.327 -11.257 1.00 0.00 O ATOM 0 H SER A 62 -9.112 2.536 -10.744 1.00 0.00 H new ATOM 0 HA SER A 62 -8.885 0.381 -8.890 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.172 -0.201 -9.884 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.035 1.408 -9.202 1.00 0.00 H new ATOM 0 HG SER A 62 -12.049 1.420 -11.286 1.00 0.00 H new ATOM 999 N THR A 63 -8.113 -0.335 -11.975 1.00 0.00 N ATOM 1000 CA THR A 63 -7.525 -1.372 -12.853 1.00 0.00 C ATOM 1001 C THR A 63 -6.158 -1.866 -12.295 1.00 0.00 C ATOM 1002 O THR A 63 -5.692 -2.957 -12.649 1.00 0.00 O ATOM 1003 CB THR A 63 -7.363 -0.844 -14.331 1.00 0.00 C ATOM 1004 OG1 THR A 63 -6.958 -1.906 -15.212 1.00 0.00 O ATOM 1005 CG2 THR A 63 -6.353 0.312 -14.443 1.00 0.00 C ATOM 0 H THR A 63 -8.068 0.606 -12.366 1.00 0.00 H new ATOM 0 HA THR A 63 -8.212 -2.218 -12.870 1.00 0.00 H new ATOM 0 HB THR A 63 -8.342 -0.466 -14.626 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.865 -1.558 -16.123 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.283 0.634 -15.482 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.685 1.147 -13.826 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.375 -0.025 -14.101 1.00 0.00 H new ATOM 1013 N HIS A 64 -5.515 -1.039 -11.441 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.267 -1.409 -10.724 1.00 0.00 C ATOM 1015 C HIS A 64 -4.570 -1.908 -9.301 1.00 0.00 C ATOM 1016 O HIS A 64 -3.653 -2.323 -8.582 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.246 -0.232 -10.723 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.389 -0.200 -11.964 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.539 0.717 -12.981 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.378 -1.012 -12.353 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -1.667 0.458 -13.931 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.948 -0.577 -13.572 1.00 0.00 N ATOM 0 H HIS A 64 -5.843 -0.097 -11.227 1.00 0.00 H new ATOM 0 HA HIS A 64 -3.803 -2.235 -11.263 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.786 0.711 -10.635 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.604 -0.315 -9.846 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.984 -1.851 -11.799 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.561 1.008 -14.855 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.190 -0.990 -14.116 1.00 0.00 H new ATOM 1031 N ILE A 65 -5.856 -1.858 -8.888 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.320 -2.591 -7.697 1.00 0.00 C ATOM 1033 C ILE A 65 -6.464 -4.052 -8.101 1.00 0.00 C ATOM 1034 O ILE A 65 -7.422 -4.414 -8.788 1.00 0.00 O ATOM 1035 CB ILE A 65 -7.682 -2.073 -7.103 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -7.619 -0.542 -6.830 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -8.059 -2.860 -5.809 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.525 -0.108 -5.884 1.00 0.00 C ATOM 0 H ILE A 65 -6.583 -1.321 -9.360 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.586 -2.440 -6.905 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.464 -2.250 -7.841 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.485 -0.024 -7.780 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.578 -0.220 -6.424 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.004 -2.484 -5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.159 -3.920 -6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.277 -2.727 -5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.562 0.974 -5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.666 -0.592 -4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.556 -0.392 -6.294 1.00 0.00 H new ATOM 1050 N THR A 66 -5.467 -4.855 -7.738 1.00 0.00 N ATOM 1051 CA THR A 66 -5.469 -6.298 -7.979 1.00 0.00 C ATOM 1052 C THR A 66 -4.707 -7.005 -6.854 1.00 0.00 C ATOM 1053 O THR A 66 -3.784 -6.434 -6.258 1.00 0.00 O ATOM 1054 CB THR A 66 -4.894 -6.670 -9.394 1.00 0.00 C ATOM 1055 OG1 THR A 66 -4.875 -8.092 -9.567 1.00 0.00 O ATOM 1056 CG2 THR A 66 -3.488 -6.102 -9.629 1.00 0.00 C ATOM 0 H THR A 66 -4.628 -4.521 -7.264 1.00 0.00 H new ATOM 0 HA THR A 66 -6.503 -6.643 -7.978 1.00 0.00 H new ATOM 0 HB THR A 66 -5.557 -6.216 -10.131 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.516 -8.309 -10.453 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.141 -6.390 -10.621 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.518 -5.015 -9.556 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.805 -6.497 -8.877 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.100 -8.264 -6.595 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.500 -9.084 -5.548 1.00 0.00 C ATOM 1066 C GLY A 67 -3.024 -9.395 -5.785 1.00 0.00 C ATOM 1067 O GLY A 67 -2.293 -9.704 -4.846 1.00 0.00 O ATOM 0 H GLY A 67 -5.844 -8.735 -7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.606 -8.572 -4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.052 -10.021 -5.471 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.608 -9.307 -7.057 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.203 -9.415 -7.476 1.00 0.00 C ATOM 1073 C LYS A 68 -0.309 -8.397 -6.727 1.00 0.00 C ATOM 1074 O LYS A 68 0.749 -8.759 -6.189 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.110 -9.180 -9.007 1.00 0.00 C ATOM 1076 CG LYS A 68 0.321 -9.212 -9.588 1.00 0.00 C ATOM 1077 CD LYS A 68 0.357 -8.949 -11.113 1.00 0.00 C ATOM 1078 CE LYS A 68 1.785 -9.022 -11.671 1.00 0.00 C ATOM 1079 NZ LYS A 68 2.397 -10.356 -11.431 1.00 0.00 N ATOM 0 H LYS A 68 -3.249 -9.156 -7.836 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.843 -10.414 -7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.708 -9.938 -9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.558 -8.214 -9.239 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.931 -8.464 -9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.770 -10.183 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.270 -9.680 -11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.065 -7.966 -11.322 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.770 -8.815 -12.741 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.398 -8.250 -11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.242 -10.463 -12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.667 -10.439 -10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.710 -11.101 -11.667 1.00 0.00 H new ATOM 1093 N TYR A 69 -0.772 -7.132 -6.694 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.033 -6.016 -6.083 1.00 0.00 C ATOM 1095 C TYR A 69 -0.274 -5.934 -4.574 1.00 0.00 C ATOM 1096 O TYR A 69 0.661 -5.782 -3.796 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.407 -4.675 -6.770 1.00 0.00 C ATOM 1098 CG TYR A 69 0.023 -4.576 -8.243 1.00 0.00 C ATOM 1099 CD1 TYR A 69 1.276 -5.039 -8.659 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -0.811 -4.013 -9.204 1.00 0.00 C ATOM 1101 CE1 TYR A 69 1.673 -4.940 -9.978 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -0.421 -3.916 -10.521 1.00 0.00 C ATOM 1103 CZ TYR A 69 0.817 -4.381 -10.908 1.00 0.00 C ATOM 1104 OH TYR A 69 1.207 -4.261 -12.226 1.00 0.00 O ATOM 0 H TYR A 69 -1.670 -6.858 -7.092 1.00 0.00 H new ATOM 0 HA TYR A 69 1.030 -6.204 -6.234 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.487 -4.538 -6.709 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.050 -3.856 -6.215 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.945 -5.482 -7.936 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.783 -3.645 -8.911 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.646 -5.297 -10.281 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.085 -3.476 -11.250 1.00 0.00 H new ATOM 0 HH TYR A 69 0.485 -3.848 -12.744 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.525 -6.084 -4.144 1.00 0.00 N ATOM 1115 CA PHE A 70 -1.888 -5.926 -2.721 1.00 0.00 C ATOM 1116 C PHE A 70 -1.670 -7.229 -1.927 1.00 0.00 C ATOM 1117 O PHE A 70 -2.084 -7.338 -0.771 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.324 -5.365 -2.628 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.397 -3.937 -3.181 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.032 -2.851 -2.385 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.769 -3.690 -4.502 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -3.053 -1.565 -2.888 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.781 -2.405 -5.005 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.422 -1.342 -4.199 1.00 0.00 C ATOM 0 H PHE A 70 -2.310 -6.315 -4.753 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.223 -5.204 -2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.006 -6.009 -3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.654 -5.373 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.729 -3.018 -1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.051 -4.515 -5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.781 -0.733 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.072 -2.230 -6.030 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.430 -0.337 -4.595 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.954 -8.184 -2.561 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.483 -9.433 -1.938 1.00 0.00 C ATOM 1136 C LYS A 71 0.360 -9.121 -0.693 1.00 0.00 C ATOM 1137 O LYS A 71 0.108 -9.630 0.407 1.00 0.00 O ATOM 1138 CB LYS A 71 0.406 -10.184 -2.966 1.00 0.00 C ATOM 1139 CG LYS A 71 0.703 -11.655 -2.619 1.00 0.00 C ATOM 1140 CD LYS A 71 -0.495 -12.580 -2.934 1.00 0.00 C ATOM 1141 CE LYS A 71 -0.813 -12.630 -4.443 1.00 0.00 C ATOM 1142 NZ LYS A 71 -2.038 -13.400 -4.736 1.00 0.00 N ATOM 0 H LYS A 71 -0.684 -8.103 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.340 -10.039 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.082 -10.148 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.352 -9.651 -3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.576 -11.990 -3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.953 -11.734 -1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.278 -13.587 -2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.373 -12.231 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.927 -11.614 -4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.028 -13.075 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.208 -13.404 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.922 -14.378 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.848 -12.962 -4.252 1.00 0.00 H new ATOM 1156 N ASP A 72 1.360 -8.257 -0.921 1.00 0.00 N ATOM 1157 CA ASP A 72 2.310 -7.787 0.085 1.00 0.00 C ATOM 1158 C ASP A 72 2.872 -6.436 -0.382 1.00 0.00 C ATOM 1159 O ASP A 72 2.679 -6.044 -1.541 1.00 0.00 O ATOM 1160 CB ASP A 72 3.450 -8.824 0.305 1.00 0.00 C ATOM 1161 CG ASP A 72 4.278 -9.099 -0.964 1.00 0.00 C ATOM 1162 OD1 ASP A 72 3.907 -9.998 -1.752 1.00 0.00 O ATOM 1163 OD2 ASP A 72 5.304 -8.417 -1.180 1.00 0.00 O ATOM 0 H ASP A 72 1.531 -7.856 -1.843 1.00 0.00 H new ATOM 0 HA ASP A 72 1.805 -7.665 1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.113 -8.463 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.017 -9.760 0.658 1.00 0.00 H new ATOM 1168 N LEU A 73 3.620 -5.753 0.496 1.00 0.00 N ATOM 1169 CA LEU A 73 4.093 -4.373 0.260 1.00 0.00 C ATOM 1170 C LEU A 73 5.051 -4.246 -0.922 1.00 0.00 C ATOM 1171 O LEU A 73 5.086 -3.195 -1.554 1.00 0.00 O ATOM 1172 CB LEU A 73 4.795 -3.845 1.518 1.00 0.00 C ATOM 1173 CG LEU A 73 3.887 -3.512 2.718 1.00 0.00 C ATOM 1174 CD1 LEU A 73 4.745 -3.083 3.907 1.00 0.00 C ATOM 1175 CD2 LEU A 73 2.860 -2.420 2.338 1.00 0.00 C ATOM 0 H LEU A 73 3.917 -6.139 1.392 1.00 0.00 H new ATOM 0 HA LEU A 73 3.206 -3.786 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.527 -4.587 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.349 -2.946 1.249 1.00 0.00 H new ATOM 0 HG LEU A 73 3.325 -4.402 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.101 -2.848 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.421 -3.893 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.326 -2.201 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.229 -2.199 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.387 -1.516 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.240 -2.774 1.514 1.00 0.00 H new ATOM 1187 N ASN A 74 5.849 -5.286 -1.185 1.00 0.00 N ATOM 1188 CA ASN A 74 6.826 -5.252 -2.291 1.00 0.00 C ATOM 1189 C ASN A 74 6.103 -5.153 -3.648 1.00 0.00 C ATOM 1190 O ASN A 74 6.567 -4.486 -4.585 1.00 0.00 O ATOM 1191 CB ASN A 74 7.718 -6.498 -2.272 1.00 0.00 C ATOM 1192 CG ASN A 74 8.523 -6.633 -0.986 1.00 0.00 C ATOM 1193 OD1 ASN A 74 9.628 -6.107 -0.869 1.00 0.00 O ATOM 1194 ND2 ASN A 74 7.985 -7.360 -0.013 1.00 0.00 N ATOM 0 H ASN A 74 5.842 -6.157 -0.655 1.00 0.00 H new ATOM 0 HA ASN A 74 7.453 -4.371 -2.155 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.097 -7.385 -2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.402 -6.462 -3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.491 -7.495 0.862 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.066 -7.783 -0.141 1.00 0.00 H new ATOM 1201 N ALA A 75 4.951 -5.823 -3.713 1.00 0.00 N ATOM 1202 CA ALA A 75 4.085 -5.835 -4.883 1.00 0.00 C ATOM 1203 C ALA A 75 3.223 -4.558 -4.949 1.00 0.00 C ATOM 1204 O ALA A 75 2.869 -4.106 -6.041 1.00 0.00 O ATOM 1205 CB ALA A 75 3.246 -7.113 -4.852 1.00 0.00 C ATOM 0 H ALA A 75 4.592 -6.381 -2.938 1.00 0.00 H new ATOM 0 HA ALA A 75 4.683 -5.836 -5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.590 -7.139 -5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.905 -7.981 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.644 -7.131 -3.944 1.00 0.00 H new ATOM 1211 N ILE A 76 2.879 -3.977 -3.781 1.00 0.00 N ATOM 1212 CA ILE A 76 2.181 -2.672 -3.718 1.00 0.00 C ATOM 1213 C ILE A 76 3.109 -1.559 -4.248 1.00 0.00 C ATOM 1214 O ILE A 76 2.715 -0.749 -5.090 1.00 0.00 O ATOM 1215 CB ILE A 76 1.704 -2.314 -2.245 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.676 -3.361 -1.719 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.115 -0.880 -2.152 1.00 0.00 C ATOM 1218 CD1 ILE A 76 0.126 -3.102 -0.319 1.00 0.00 C ATOM 0 H ILE A 76 3.072 -4.389 -2.868 1.00 0.00 H new ATOM 0 HA ILE A 76 1.290 -2.748 -4.342 1.00 0.00 H new ATOM 0 HB ILE A 76 2.589 -2.346 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.161 -3.403 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.148 -4.343 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.803 -0.681 -1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.874 -0.155 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.255 -0.796 -2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.579 -3.890 -0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.947 -3.093 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.383 -2.138 -0.301 1.00 0.00 H new ATOM 1230 N SER A 77 4.357 -1.565 -3.765 1.00 0.00 N ATOM 1231 CA SER A 77 5.344 -0.517 -4.053 1.00 0.00 C ATOM 1232 C SER A 77 5.763 -0.531 -5.518 1.00 0.00 C ATOM 1233 O SER A 77 5.934 0.523 -6.107 1.00 0.00 O ATOM 1234 CB SER A 77 6.586 -0.677 -3.161 1.00 0.00 C ATOM 1235 OG SER A 77 7.184 -1.955 -3.309 1.00 0.00 O ATOM 0 H SER A 77 4.713 -2.303 -3.158 1.00 0.00 H new ATOM 0 HA SER A 77 4.869 0.440 -3.839 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.314 0.095 -3.411 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.306 -0.526 -2.118 1.00 0.00 H new ATOM 0 HG SER A 77 6.597 -2.531 -3.842 1.00 0.00 H new ATOM 1241 N ARG A 78 5.909 -1.745 -6.099 1.00 0.00 N ATOM 1242 CA ARG A 78 6.410 -1.909 -7.475 1.00 0.00 C ATOM 1243 C ARG A 78 5.481 -1.210 -8.492 1.00 0.00 C ATOM 1244 O ARG A 78 5.958 -0.660 -9.494 1.00 0.00 O ATOM 1245 CB ARG A 78 6.610 -3.412 -7.844 1.00 0.00 C ATOM 1246 CG ARG A 78 5.310 -4.208 -8.081 1.00 0.00 C ATOM 1247 CD ARG A 78 5.548 -5.708 -8.335 1.00 0.00 C ATOM 1248 NE ARG A 78 6.368 -5.951 -9.531 1.00 0.00 N ATOM 1249 CZ ARG A 78 6.792 -7.153 -9.956 1.00 0.00 C ATOM 1250 NH1 ARG A 78 6.496 -8.265 -9.293 1.00 0.00 N ATOM 1251 NH2 ARG A 78 7.538 -7.225 -11.040 1.00 0.00 N ATOM 0 H ARG A 78 5.685 -2.624 -5.631 1.00 0.00 H new ATOM 0 HA ARG A 78 7.388 -1.429 -7.522 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.222 -3.470 -8.744 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.172 -3.894 -7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.659 -4.093 -7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.783 -3.782 -8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.038 -6.147 -7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.588 -6.211 -8.448 1.00 0.00 H new ATOM 0 HE ARG A 78 6.638 -5.138 -10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.936 -8.218 -8.442 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.829 -9.166 -9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.787 -6.375 -11.545 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.867 -8.131 -11.374 1.00 0.00 H new ATOM 1265 N THR A 79 4.152 -1.208 -8.208 1.00 0.00 N ATOM 1266 CA THR A 79 3.163 -0.551 -9.073 1.00 0.00 C ATOM 1267 C THR A 79 3.071 0.953 -8.747 1.00 0.00 C ATOM 1268 O THR A 79 2.787 1.733 -9.631 1.00 0.00 O ATOM 1269 CB THR A 79 1.732 -1.207 -8.996 1.00 0.00 C ATOM 1270 OG1 THR A 79 0.947 -0.791 -10.128 1.00 0.00 O ATOM 1271 CG2 THR A 79 0.962 -0.830 -7.721 1.00 0.00 C ATOM 0 H THR A 79 3.751 -1.657 -7.384 1.00 0.00 H new ATOM 0 HA THR A 79 3.517 -0.686 -10.095 1.00 0.00 H new ATOM 0 HB THR A 79 1.889 -2.286 -8.990 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.511 -1.572 -10.528 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.015 -1.314 -7.729 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.523 -1.160 -6.846 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.831 0.251 -7.681 1.00 0.00 H new ATOM 1279 N VAL A 80 3.290 1.338 -7.464 1.00 0.00 N ATOM 1280 CA VAL A 80 3.250 2.762 -7.031 1.00 0.00 C ATOM 1281 C VAL A 80 4.436 3.524 -7.643 1.00 0.00 C ATOM 1282 O VAL A 80 4.291 4.663 -8.073 1.00 0.00 O ATOM 1283 CB VAL A 80 3.268 2.897 -5.453 1.00 0.00 C ATOM 1284 CG1 VAL A 80 3.516 4.362 -4.987 1.00 0.00 C ATOM 1285 CG2 VAL A 80 1.952 2.343 -4.846 1.00 0.00 C ATOM 0 H VAL A 80 3.496 0.683 -6.710 1.00 0.00 H new ATOM 0 HA VAL A 80 2.315 3.195 -7.386 1.00 0.00 H new ATOM 0 HB VAL A 80 4.105 2.301 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.519 4.402 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.478 4.706 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.724 5.005 -5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.981 2.443 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.105 2.905 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.844 1.291 -5.110 1.00 0.00 H new ATOM 1295 N GLU A 81 5.592 2.847 -7.693 1.00 0.00 N ATOM 1296 CA GLU A 81 6.860 3.394 -8.202 1.00 0.00 C ATOM 1297 C GLU A 81 6.882 3.405 -9.729 1.00 0.00 C ATOM 1298 O GLU A 81 7.507 4.280 -10.337 1.00 0.00 O ATOM 1299 CB GLU A 81 8.048 2.567 -7.650 1.00 0.00 C ATOM 1300 CG GLU A 81 8.214 2.666 -6.123 1.00 0.00 C ATOM 1301 CD GLU A 81 8.343 4.121 -5.640 1.00 0.00 C ATOM 1302 OE1 GLU A 81 9.297 4.793 -6.071 1.00 0.00 O ATOM 1303 OE2 GLU A 81 7.492 4.609 -4.853 1.00 0.00 O ATOM 0 H GLU A 81 5.674 1.882 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 81 6.952 4.425 -7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.910 1.521 -7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.967 2.904 -8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.358 2.199 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.098 2.106 -5.819 1.00 0.00 H new ATOM 1310 N GLN A 82 6.230 2.393 -10.329 1.00 0.00 N ATOM 1311 CA GLN A 82 5.988 2.352 -11.783 1.00 0.00 C ATOM 1312 C GLN A 82 5.069 3.517 -12.181 1.00 0.00 C ATOM 1313 O GLN A 82 5.412 4.319 -13.039 1.00 0.00 O ATOM 1314 CB GLN A 82 5.366 0.990 -12.205 1.00 0.00 C ATOM 1315 CG GLN A 82 5.103 0.836 -13.725 1.00 0.00 C ATOM 1316 CD GLN A 82 6.374 0.893 -14.596 1.00 0.00 C ATOM 1317 OE1 GLN A 82 7.462 0.487 -14.169 1.00 0.00 O ATOM 1318 NE2 GLN A 82 6.243 1.395 -15.816 1.00 0.00 N ATOM 0 H GLN A 82 5.859 1.587 -9.825 1.00 0.00 H new ATOM 0 HA GLN A 82 6.940 2.454 -12.303 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.031 0.188 -11.883 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.424 0.857 -11.673 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.598 -0.114 -13.900 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.421 1.623 -14.046 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.332 1.721 -16.138 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.053 1.455 -16.433 1.00 0.00 H new ATOM 1327 N LEU A 83 3.931 3.625 -11.473 1.00 0.00 N ATOM 1328 CA LEU A 83 2.916 4.684 -11.675 1.00 0.00 C ATOM 1329 C LEU A 83 3.508 6.077 -11.405 1.00 0.00 C ATOM 1330 O LEU A 83 3.130 7.042 -12.066 1.00 0.00 O ATOM 1331 CB LEU A 83 1.670 4.405 -10.752 1.00 0.00 C ATOM 1332 CG LEU A 83 0.463 3.624 -11.380 1.00 0.00 C ATOM 1333 CD1 LEU A 83 0.913 2.412 -12.221 1.00 0.00 C ATOM 1334 CD2 LEU A 83 -0.559 3.204 -10.287 1.00 0.00 C ATOM 0 H LEU A 83 3.683 2.970 -10.731 1.00 0.00 H new ATOM 0 HA LEU A 83 2.592 4.668 -12.716 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.015 3.847 -9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.298 5.364 -10.390 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.033 4.310 -12.066 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.038 1.909 -12.631 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.552 2.752 -13.036 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.468 1.718 -11.590 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.385 2.664 -10.750 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.068 2.560 -9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.942 4.093 -9.786 1.00 0.00 H new ATOM 1346 N LYS A 84 4.446 6.155 -10.441 1.00 0.00 N ATOM 1347 CA LYS A 84 5.117 7.412 -10.074 1.00 0.00 C ATOM 1348 C LYS A 84 6.127 7.802 -11.162 1.00 0.00 C ATOM 1349 O LYS A 84 6.265 8.978 -11.482 1.00 0.00 O ATOM 1350 CB LYS A 84 5.839 7.284 -8.701 1.00 0.00 C ATOM 1351 CG LYS A 84 6.308 8.636 -8.097 1.00 0.00 C ATOM 1352 CD LYS A 84 6.880 8.503 -6.664 1.00 0.00 C ATOM 1353 CE LYS A 84 8.189 7.708 -6.623 1.00 0.00 C ATOM 1354 NZ LYS A 84 8.656 7.451 -5.235 1.00 0.00 N ATOM 0 H LYS A 84 4.757 5.350 -9.898 1.00 0.00 H new ATOM 0 HA LYS A 84 4.358 8.190 -9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.167 6.797 -7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.705 6.632 -8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.069 9.071 -8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.468 9.330 -8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.050 9.497 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.143 8.015 -6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.049 6.757 -7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.959 8.255 -7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.156 6.540 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.301 8.211 -4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.838 7.422 -4.593 1.00 0.00 H new ATOM 1368 N ALA A 85 6.825 6.784 -11.719 1.00 0.00 N ATOM 1369 CA ALA A 85 7.818 6.967 -12.795 1.00 0.00 C ATOM 1370 C ALA A 85 7.141 7.514 -14.060 1.00 0.00 C ATOM 1371 O ALA A 85 7.593 8.510 -14.641 1.00 0.00 O ATOM 1372 CB ALA A 85 8.543 5.635 -13.108 1.00 0.00 C ATOM 0 H ALA A 85 6.712 5.812 -11.431 1.00 0.00 H new ATOM 0 HA ALA A 85 8.560 7.689 -12.454 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.270 5.795 -13.904 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.056 5.281 -12.214 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.814 4.890 -13.427 1.00 0.00 H new ATOM 1378 N GLU A 86 6.018 6.865 -14.438 1.00 0.00 N ATOM 1379 CA GLU A 86 5.242 7.209 -15.641 1.00 0.00 C ATOM 1380 C GLU A 86 4.648 8.622 -15.512 1.00 0.00 C ATOM 1381 O GLU A 86 4.833 9.450 -16.406 1.00 0.00 O ATOM 1382 CB GLU A 86 4.114 6.162 -15.912 1.00 0.00 C ATOM 1383 CG GLU A 86 4.595 4.695 -16.017 1.00 0.00 C ATOM 1384 CD GLU A 86 5.817 4.507 -16.941 1.00 0.00 C ATOM 1385 OE1 GLU A 86 5.670 4.648 -18.177 1.00 0.00 O ATOM 1386 OE2 GLU A 86 6.922 4.208 -16.433 1.00 0.00 O ATOM 0 H GLU A 86 5.626 6.084 -13.912 1.00 0.00 H new ATOM 0 HA GLU A 86 5.922 7.191 -16.493 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.376 6.230 -15.113 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.606 6.429 -16.839 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.845 4.332 -15.020 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.775 4.078 -16.384 1.00 0.00 H new ATOM 1393 N SER A 87 3.990 8.899 -14.361 1.00 0.00 N ATOM 1394 CA SER A 87 3.347 10.206 -14.103 1.00 0.00 C ATOM 1395 C SER A 87 4.392 11.338 -14.011 1.00 0.00 C ATOM 1396 O SER A 87 4.120 12.467 -14.423 1.00 0.00 O ATOM 1397 CB SER A 87 2.476 10.165 -12.828 1.00 0.00 C ATOM 1398 OG SER A 87 3.232 9.807 -11.684 1.00 0.00 O ATOM 0 H SER A 87 3.892 8.232 -13.596 1.00 0.00 H new ATOM 0 HA SER A 87 2.694 10.416 -14.950 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.018 11.141 -12.670 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.664 9.450 -12.965 1.00 0.00 H new ATOM 0 HG SER A 87 3.325 8.832 -11.645 1.00 0.00 H new ATOM 1404 N ALA A 88 5.595 11.009 -13.497 1.00 0.00 N ATOM 1405 CA ALA A 88 6.713 11.966 -13.394 1.00 0.00 C ATOM 1406 C ALA A 88 7.239 12.341 -14.791 1.00 0.00 C ATOM 1407 O ALA A 88 7.708 13.461 -15.001 1.00 0.00 O ATOM 1408 CB ALA A 88 7.843 11.392 -12.521 1.00 0.00 C ATOM 0 H ALA A 88 5.817 10.078 -13.144 1.00 0.00 H new ATOM 0 HA ALA A 88 6.342 12.873 -12.916 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.657 12.114 -12.459 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.462 11.188 -11.521 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.212 10.467 -12.965 1.00 0.00 H new ATOM 1414 N LEU A 89 7.161 11.385 -15.741 1.00 0.00 N ATOM 1415 CA LEU A 89 7.513 11.622 -17.156 1.00 0.00 C ATOM 1416 C LEU A 89 6.422 12.451 -17.862 1.00 0.00 C ATOM 1417 O LEU A 89 6.718 13.179 -18.811 1.00 0.00 O ATOM 1418 CB LEU A 89 7.734 10.276 -17.909 1.00 0.00 C ATOM 1419 CG LEU A 89 8.964 9.433 -17.463 1.00 0.00 C ATOM 1420 CD1 LEU A 89 9.048 8.110 -18.252 1.00 0.00 C ATOM 1421 CD2 LEU A 89 10.280 10.248 -17.569 1.00 0.00 C ATOM 0 H LEU A 89 6.854 10.432 -15.549 1.00 0.00 H new ATOM 0 HA LEU A 89 8.445 12.186 -17.175 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.839 9.666 -17.790 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.834 10.491 -18.973 1.00 0.00 H new ATOM 0 HG LEU A 89 8.828 9.179 -16.412 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.917 7.542 -17.919 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.144 7.525 -18.079 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.142 8.326 -19.316 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.118 9.629 -17.250 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.432 10.560 -18.602 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.215 11.128 -16.930 1.00 0.00 H new ATOM 1433 N GLU A 90 5.160 12.324 -17.399 1.00 0.00 N ATOM 1434 CA GLU A 90 4.018 13.073 -17.962 1.00 0.00 C ATOM 1435 C GLU A 90 4.038 14.535 -17.441 1.00 0.00 C ATOM 1436 CB GLU A 90 2.679 12.373 -17.602 1.00 0.00 C ATOM 1437 CG GLU A 90 2.572 10.920 -18.089 1.00 0.00 C ATOM 1438 CD GLU A 90 1.214 10.274 -17.767 1.00 0.00 C ATOM 1439 OE1 GLU A 90 0.955 9.956 -16.589 1.00 0.00 O ATOM 1440 OE2 GLU A 90 0.392 10.096 -18.691 1.00 0.00 O ATOM 0 H GLU A 90 4.906 11.704 -16.630 1.00 0.00 H new ATOM 0 HA GLU A 90 4.105 13.091 -19.048 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.553 12.391 -16.519 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.857 12.948 -18.028 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.735 10.891 -19.166 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.366 10.330 -17.631 1.00 0.00 H new