USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 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 83 MET CE :methyl -171:sc= -0.13 (180deg=-0.303) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= -0.0556 USER MOD Set 2.1: A 55 TYR OH : rot -49:sc= 0.628 USER MOD Set 2.2: A 80 TYR OH : rot -36:sc= 1.03 USER MOD Set 3.1: A 26 THR OG1 : rot -37:sc= 1.26 USER MOD Set 3.2: A 68 HIS : no HD1:sc= 1.05 K(o=2.3,f=-5.5!) USER MOD Single : A 12 MET CE :methyl -176:sc= -0.696 (180deg=-0.736) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.481 K(o=-0.48,f=-3.1!) USER MOD Single : A 17 TYR OH : rot 100:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -128:sc=-0.00227 (180deg=-0.618) USER MOD Single : A 28 THR OG1 : rot 36:sc= 0.653 USER MOD Single : A 29 CYS SG : rot 20:sc= -0.439 USER MOD Single : A 34 ASN : amide:sc= -0.0343 K(o=-0.034,f=-1.8!) USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= 1.19 (180deg=0.871) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 1.89 (180deg=1.75) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.468 USER MOD Single : A 54 HIS : no HD1:sc= -0.0256 K(o=-0.026,f=-1.5!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0568 X(o=-0.057,f=-0.14) USER MOD Single : A 64 THR OG1 : rot 120:sc= 0.592 USER MOD Single : A 65 CYS SG : rot 18:sc= 0.677 USER MOD Single : A 66 SER OG : rot 31:sc= 0.0305 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 100:sc= 0 USER MOD Single : A 73 THR OG1 : rot -55:sc= 0.85 USER MOD Single : A 79 ASN : amide:sc= -0.0248 K(o=-0.025,f=-2!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.377! C(o=-0.38!,f=-11!) USER MOD Single : A 88 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.094) USER MOD Single : A 93 CYS SG : rot 170:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -164:sc= -0.0352 (180deg=-0.363) USER MOD Single : A 100 GLN : amide:sc= -0.0512 X(o=-0.051,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.650 9.987 3.876 1.00 0.00 N ATOM 67 CA ALA A 7 -3.039 10.275 3.542 1.00 0.00 C ATOM 68 C ALA A 7 -3.631 11.309 4.493 1.00 0.00 C ATOM 69 O ALA A 7 -3.261 11.371 5.665 1.00 0.00 O ATOM 70 CB ALA A 7 -3.868 9.000 3.563 1.00 0.00 C ATOM 0 HA ALA A 7 -3.062 10.691 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.902 9.234 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.468 8.294 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.828 8.557 4.558 1.00 0.00 H new ATOM 76 N PRO A 8 -4.550 12.120 3.980 1.00 0.00 N ATOM 77 CA PRO A 8 -5.196 13.151 4.785 1.00 0.00 C ATOM 78 C PRO A 8 -5.827 12.558 6.039 1.00 0.00 C ATOM 79 O PRO A 8 -6.522 11.541 5.975 1.00 0.00 O ATOM 80 CB PRO A 8 -6.241 13.760 3.845 1.00 0.00 C ATOM 81 CG PRO A 8 -5.700 13.512 2.479 1.00 0.00 C ATOM 82 CD PRO A 8 -5.014 12.175 2.557 1.00 0.00 C ATOM 0 HA PRO A 8 -4.495 13.900 5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.216 13.291 3.977 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.372 14.826 4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.498 13.501 1.736 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.001 14.295 2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.695 11.357 2.322 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.181 12.107 1.857 1.00 0.00 H new ATOM 90 N PHE A 9 -5.582 13.195 7.178 1.00 0.00 N ATOM 91 CA PHE A 9 -6.180 12.771 8.438 1.00 0.00 C ATOM 92 C PHE A 9 -6.360 13.950 9.385 1.00 0.00 C ATOM 93 O PHE A 9 -5.405 14.654 9.706 1.00 0.00 O ATOM 94 CB PHE A 9 -5.321 11.691 9.101 1.00 0.00 C ATOM 95 CG PHE A 9 -5.818 11.267 10.453 1.00 0.00 C ATOM 96 CD1 PHE A 9 -6.872 10.373 10.573 1.00 0.00 C ATOM 97 CD2 PHE A 9 -5.235 11.762 11.609 1.00 0.00 C ATOM 98 CE1 PHE A 9 -7.329 9.982 11.817 1.00 0.00 C ATOM 99 CE2 PHE A 9 -5.688 11.373 12.854 1.00 0.00 C ATOM 100 CZ PHE A 9 -6.738 10.483 12.957 1.00 0.00 C ATOM 0 H PHE A 9 -4.972 14.009 7.255 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.164 12.356 8.218 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.283 10.819 8.448 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.300 12.061 9.199 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.341 9.978 9.684 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.415 12.461 11.535 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.149 9.284 11.896 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.221 11.765 13.746 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.096 10.180 13.930 1.00 0.00 H new ATOM 110 N PHE A 10 -7.594 14.158 9.832 1.00 0.00 N ATOM 111 CA PHE A 10 -7.902 15.246 10.753 1.00 0.00 C ATOM 112 C PHE A 10 -7.291 14.994 12.127 1.00 0.00 C ATOM 113 O PHE A 10 -7.950 14.469 13.022 1.00 0.00 O ATOM 114 CB PHE A 10 -9.416 15.430 10.874 1.00 0.00 C ATOM 115 CG PHE A 10 -10.064 15.959 9.627 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.847 17.265 9.215 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.892 15.151 8.862 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.444 17.754 8.069 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.490 15.637 7.714 1.00 0.00 C ATOM 120 CZ PHE A 10 -11.266 16.938 7.318 1.00 0.00 C ATOM 0 H PHE A 10 -8.398 13.587 9.571 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.466 16.160 10.350 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.870 14.472 11.130 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.625 16.112 11.698 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.203 17.908 9.797 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.072 14.131 9.167 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.268 18.774 7.761 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.133 14.997 7.128 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.733 17.318 6.422 1.00 0.00 H new ATOM 130 N GLU A 11 -6.027 15.372 12.284 1.00 0.00 N ATOM 131 CA GLU A 11 -5.360 15.295 13.574 1.00 0.00 C ATOM 132 C GLU A 11 -6.019 16.219 14.590 1.00 0.00 C ATOM 133 O GLU A 11 -5.881 16.033 15.799 1.00 0.00 O ATOM 134 CB GLU A 11 -3.877 15.641 13.432 1.00 0.00 C ATOM 135 CG GLU A 11 -3.601 17.096 13.081 1.00 0.00 C ATOM 136 CD GLU A 11 -2.124 17.368 13.000 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.445 17.156 13.976 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.657 17.680 11.930 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.444 15.736 11.530 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.451 14.271 13.936 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.370 15.403 14.367 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.440 15.005 12.662 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.070 17.338 12.127 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.052 17.745 13.832 1.00 0.00 H new ATOM 145 N MET A 12 -6.733 17.225 14.093 1.00 0.00 N ATOM 146 CA MET A 12 -7.628 18.018 14.926 1.00 0.00 C ATOM 147 C MET A 12 -8.998 18.168 14.276 1.00 0.00 C ATOM 148 O MET A 12 -9.137 18.828 13.246 1.00 0.00 O ATOM 149 CB MET A 12 -7.016 19.391 15.196 1.00 0.00 C ATOM 150 CG MET A 12 -7.870 20.299 16.070 1.00 0.00 C ATOM 151 SD MET A 12 -7.027 21.831 16.512 1.00 0.00 S ATOM 152 CE MET A 12 -7.052 22.697 14.946 1.00 0.00 C ATOM 0 H MET A 12 -6.708 17.510 13.114 1.00 0.00 H new ATOM 0 HA MET A 12 -7.762 17.495 15.873 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.046 19.255 15.673 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.836 19.889 14.243 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.795 20.536 15.545 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.147 19.766 16.979 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.503 23.634 15.040 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.585 22.078 14.180 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.083 22.907 14.663 1.00 0.00 H new ATOM 162 N LYS A 13 -10.006 17.551 14.883 1.00 0.00 N ATOM 163 CA LYS A 13 -11.320 17.437 14.262 1.00 0.00 C ATOM 164 C LYS A 13 -12.257 18.539 14.741 1.00 0.00 C ATOM 165 O LYS A 13 -11.974 19.220 15.729 1.00 0.00 O ATOM 166 CB LYS A 13 -11.930 16.064 14.550 1.00 0.00 C ATOM 167 CG LYS A 13 -11.154 14.894 13.961 1.00 0.00 C ATOM 168 CD LYS A 13 -11.835 13.568 14.267 1.00 0.00 C ATOM 169 CE LYS A 13 -11.081 12.402 13.644 1.00 0.00 C ATOM 170 NZ LYS A 13 -11.746 11.100 13.919 1.00 0.00 N1+ ATOM 0 H LYS A 13 -9.938 17.122 15.806 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.190 17.548 13.186 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.000 15.931 15.630 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.947 16.043 14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.066 15.020 12.882 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.141 14.887 14.364 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.896 13.429 15.346 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.857 13.586 13.889 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.007 12.552 12.567 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.063 12.379 14.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.201 10.332 13.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.794 10.945 14.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.709 11.112 13.526 1.00 0.00 H new ATOM 184 N LEU A 14 -13.369 18.712 14.035 1.00 0.00 N ATOM 185 CA LEU A 14 -14.376 19.692 14.424 1.00 0.00 C ATOM 186 C LEU A 14 -15.329 19.122 15.463 1.00 0.00 C ATOM 187 O LEU A 14 -15.308 17.926 15.752 1.00 0.00 O ATOM 188 CB LEU A 14 -15.154 20.169 13.191 1.00 0.00 C ATOM 189 CG LEU A 14 -14.308 20.849 12.108 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.184 21.219 10.918 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.637 22.085 12.688 1.00 0.00 C ATOM 0 H LEU A 14 -13.596 18.186 13.191 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.863 20.543 14.872 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.662 19.312 12.748 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.927 20.865 13.516 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.536 20.161 11.763 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.575 21.701 10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.637 20.318 10.505 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.968 21.903 11.242 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.036 22.568 11.918 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.398 22.780 13.043 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.995 21.794 13.520 1.00 0.00 H new ATOM 203 N LYS A 15 -16.168 19.986 16.028 1.00 0.00 N ATOM 204 CA LYS A 15 -17.185 19.559 16.979 1.00 0.00 C ATOM 205 C LYS A 15 -18.530 20.210 16.679 1.00 0.00 C ATOM 206 O LYS A 15 -18.650 21.004 15.747 1.00 0.00 O ATOM 207 CB LYS A 15 -16.751 19.882 18.408 1.00 0.00 C ATOM 208 CG LYS A 15 -16.579 21.369 18.692 1.00 0.00 C ATOM 209 CD LYS A 15 -16.096 21.609 20.114 1.00 0.00 C ATOM 210 CE LYS A 15 -15.973 23.096 20.415 1.00 0.00 C ATOM 211 NZ LYS A 15 -15.522 23.345 21.811 1.00 0.00 N1+ ATOM 0 H LYS A 15 -16.162 20.989 15.842 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.301 18.480 16.880 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.489 19.475 19.100 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -15.809 19.374 18.612 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.866 21.796 17.987 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.528 21.883 18.536 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.790 21.150 20.818 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.130 21.126 20.258 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.267 23.550 19.719 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.936 23.580 20.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.451 24.369 21.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.208 22.934 22.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.591 22.905 21.959 1.00 0.00 H new ATOM 225 N HIS A 16 -19.537 19.866 17.477 1.00 0.00 N ATOM 226 CA HIS A 16 -20.845 20.505 17.373 1.00 0.00 C ATOM 227 C HIS A 16 -20.804 21.931 17.904 1.00 0.00 C ATOM 228 O HIS A 16 -20.705 22.150 19.112 1.00 0.00 O ATOM 229 CB HIS A 16 -21.904 19.695 18.127 1.00 0.00 C ATOM 230 CG HIS A 16 -23.295 20.226 17.967 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.383 19.666 18.602 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.774 21.265 17.242 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.474 20.338 18.276 1.00 0.00 C ATOM 234 NE2 HIS A 16 -25.131 21.313 17.452 1.00 0.00 N ATOM 0 H HIS A 16 -19.473 19.150 18.201 1.00 0.00 H new ATOM 0 HA HIS A 16 -21.113 20.540 16.317 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.876 18.663 17.777 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.650 19.680 19.187 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.351 18.860 19.226 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.198 21.931 16.616 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.474 20.126 18.624 1.00 0.00 H new ATOM 242 N TYR A 17 -20.882 22.899 16.998 1.00 0.00 N ATOM 243 CA TYR A 17 -20.764 24.305 17.366 1.00 0.00 C ATOM 244 C TYR A 17 -22.133 24.938 17.575 1.00 0.00 C ATOM 245 O TYR A 17 -23.092 24.613 16.872 1.00 0.00 O ATOM 246 CB TYR A 17 -19.989 25.076 16.295 1.00 0.00 C ATOM 247 CG TYR A 17 -18.568 24.595 16.103 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.588 24.878 17.043 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.209 23.864 14.980 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.289 24.443 16.873 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.913 23.422 14.800 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.954 23.714 15.750 1.00 0.00 C ATOM 253 OH TYR A 17 -14.661 23.279 15.574 1.00 0.00 O ATOM 0 H TYR A 17 -21.027 22.735 16.002 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.217 24.357 18.307 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.521 24.996 15.347 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.972 26.133 16.562 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.846 25.449 17.923 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.956 23.637 14.234 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.539 24.672 17.615 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.651 22.851 13.921 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.595 22.337 15.835 1.00 0.00 H new ATOM 263 N LYS A 18 -22.221 25.839 18.544 1.00 0.00 N ATOM 264 CA LYS A 18 -23.461 26.555 18.815 1.00 0.00 C ATOM 265 C LYS A 18 -23.212 28.048 18.996 1.00 0.00 C ATOM 266 O LYS A 18 -22.246 28.450 19.640 1.00 0.00 O ATOM 267 CB LYS A 18 -24.148 25.984 20.057 1.00 0.00 C ATOM 268 CG LYS A 18 -24.657 24.557 19.893 1.00 0.00 C ATOM 269 CD LYS A 18 -25.398 24.088 21.137 1.00 0.00 C ATOM 270 CE LYS A 18 -25.870 22.649 20.990 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.593 22.175 22.201 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.446 26.092 19.157 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.115 26.422 17.953 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.447 26.013 20.891 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.986 26.628 20.322 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.320 24.502 19.030 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.818 23.890 19.694 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.744 24.172 22.005 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.255 24.737 21.319 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.524 22.569 20.122 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.012 22.003 20.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -26.898 21.191 22.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -25.961 22.227 23.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.426 22.775 22.365 1.00 0.00 H new ATOM 285 N ILE A 19 -24.090 28.861 18.421 1.00 0.00 N ATOM 286 CA ILE A 19 -23.945 30.312 18.483 1.00 0.00 C ATOM 287 C ILE A 19 -25.302 31.000 18.474 1.00 0.00 C ATOM 288 O ILE A 19 -26.268 30.487 17.912 1.00 0.00 O ATOM 289 CB ILE A 19 -23.100 30.848 17.313 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.667 32.291 17.583 1.00 0.00 C ATOM 291 CG2 ILE A 19 -23.880 30.758 16.010 1.00 0.00 C ATOM 292 CD1 ILE A 19 -21.671 32.427 18.713 1.00 0.00 C ATOM 0 H ILE A 19 -24.910 28.541 17.906 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.433 30.536 19.419 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.205 30.233 17.221 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.231 32.706 16.674 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.549 32.888 17.814 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -23.269 31.141 15.193 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -24.140 29.718 15.813 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.791 31.351 16.090 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.412 33.477 18.845 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.111 32.043 19.634 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.772 31.858 18.476 1.00 0.00 H new ATOM 304 N PHE A 20 -25.371 32.170 19.105 1.00 0.00 N ATOM 305 CA PHE A 20 -26.575 32.990 19.071 1.00 0.00 C ATOM 306 C PHE A 20 -26.681 33.763 17.765 1.00 0.00 C ATOM 307 O PHE A 20 -25.670 34.141 17.173 1.00 0.00 O ATOM 308 CB PHE A 20 -26.598 33.956 20.256 1.00 0.00 C ATOM 309 CG PHE A 20 -26.937 33.300 21.566 1.00 0.00 C ATOM 310 CD1 PHE A 20 -28.252 33.003 21.889 1.00 0.00 C ATOM 311 CD2 PHE A 20 -25.941 32.980 22.475 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.566 32.402 23.093 1.00 0.00 C ATOM 313 CE2 PHE A 20 -26.251 32.377 23.680 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.564 32.089 23.989 1.00 0.00 C ATOM 0 H PHE A 20 -24.605 32.570 19.646 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.433 32.322 19.141 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.623 34.435 20.342 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.324 34.744 20.056 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -29.040 33.244 21.191 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -24.911 33.204 22.239 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.595 32.177 23.333 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.465 32.132 24.379 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.808 31.619 24.931 1.00 0.00 H new ATOM 324 N GLU A 21 -27.910 33.995 17.318 1.00 0.00 N ATOM 325 CA GLU A 21 -28.149 34.675 16.049 1.00 0.00 C ATOM 326 C GLU A 21 -27.434 36.020 16.001 1.00 0.00 C ATOM 327 O GLU A 21 -27.641 36.876 16.861 1.00 0.00 O ATOM 328 CB GLU A 21 -29.649 34.870 15.819 1.00 0.00 C ATOM 329 CG GLU A 21 -30.005 35.490 14.475 1.00 0.00 C ATOM 330 CD GLU A 21 -31.492 35.659 14.327 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.207 35.259 15.214 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.906 36.288 13.383 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.758 33.722 17.816 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.747 34.046 15.254 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.145 33.903 15.902 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -30.047 35.502 16.613 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.515 36.459 14.378 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.627 34.860 13.670 1.00 0.00 H new ATOM 339 N GLY A 22 -26.589 36.198 14.992 1.00 0.00 N ATOM 340 CA GLY A 22 -25.979 37.494 14.723 1.00 0.00 C ATOM 341 C GLY A 22 -24.559 37.559 15.267 1.00 0.00 C ATOM 342 O GLY A 22 -23.796 38.469 14.937 1.00 0.00 O ATOM 0 H GLY A 22 -26.311 35.459 14.346 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.968 37.677 13.649 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.581 38.283 15.175 1.00 0.00 H new ATOM 346 N MET A 23 -24.205 36.591 16.105 1.00 0.00 N ATOM 347 CA MET A 23 -22.901 36.574 16.753 1.00 0.00 C ATOM 348 C MET A 23 -21.848 35.931 15.862 1.00 0.00 C ATOM 349 O MET A 23 -22.166 35.114 14.998 1.00 0.00 O ATOM 350 CB MET A 23 -22.986 35.835 18.087 1.00 0.00 C ATOM 351 CG MET A 23 -23.920 36.478 19.105 1.00 0.00 C ATOM 352 SD MET A 23 -23.376 38.123 19.606 1.00 0.00 S ATOM 353 CE MET A 23 -21.953 37.716 20.613 1.00 0.00 C ATOM 0 H MET A 23 -24.807 35.805 16.352 1.00 0.00 H new ATOM 0 HA MET A 23 -22.602 37.606 16.934 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.318 34.813 17.902 1.00 0.00 H new ATOM 0 HB3 MET A 23 -21.987 35.772 18.518 1.00 0.00 H new ATOM 0 HG2 MET A 23 -24.922 36.544 18.681 1.00 0.00 H new ATOM 0 HG3 MET A 23 -23.988 35.838 19.985 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.041 38.206 21.583 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.905 36.636 20.755 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.045 38.057 20.115 1.00 0.00 H new ATOM 363 N PRO A 24 -20.592 36.307 16.076 1.00 0.00 N ATOM 364 CA PRO A 24 -19.489 35.781 15.278 1.00 0.00 C ATOM 365 C PRO A 24 -19.133 34.360 15.699 1.00 0.00 C ATOM 366 O PRO A 24 -19.364 33.965 16.841 1.00 0.00 O ATOM 367 CB PRO A 24 -18.340 36.762 15.532 1.00 0.00 C ATOM 368 CG PRO A 24 -18.595 37.285 16.905 1.00 0.00 C ATOM 369 CD PRO A 24 -20.093 37.360 17.031 1.00 0.00 C ATOM 0 HA PRO A 24 -19.733 35.708 14.218 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.372 36.265 15.470 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.334 37.566 14.796 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.169 36.626 17.662 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.139 38.265 17.043 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.418 37.159 18.052 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.467 38.349 16.766 1.00 0.00 H new ATOM 377 N VAL A 25 -18.564 33.598 14.769 1.00 0.00 N ATOM 378 CA VAL A 25 -18.137 32.234 15.054 1.00 0.00 C ATOM 379 C VAL A 25 -16.738 31.972 14.507 1.00 0.00 C ATOM 380 O VAL A 25 -16.479 32.170 13.320 1.00 0.00 O ATOM 381 CB VAL A 25 -19.112 31.199 14.460 1.00 0.00 C ATOM 382 CG1 VAL A 25 -18.650 29.786 14.781 1.00 0.00 C ATOM 383 CG2 VAL A 25 -20.520 31.431 14.988 1.00 0.00 C ATOM 0 H VAL A 25 -18.388 33.903 13.812 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.128 32.127 16.139 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.125 31.319 13.377 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.350 29.068 14.354 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.659 29.622 14.358 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.609 29.653 15.862 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -21.196 30.692 14.559 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -20.521 31.337 16.074 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.853 32.431 14.710 1.00 0.00 H new ATOM 393 N THR A 26 -15.843 31.521 15.377 1.00 0.00 N ATOM 394 CA THR A 26 -14.464 31.248 14.988 1.00 0.00 C ATOM 395 C THR A 26 -14.047 29.836 15.385 1.00 0.00 C ATOM 396 O THR A 26 -14.147 29.455 16.552 1.00 0.00 O ATOM 397 CB THR A 26 -13.487 32.257 15.621 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.857 33.589 15.239 1.00 0.00 O ATOM 399 CG2 THR A 26 -12.063 31.979 15.165 1.00 0.00 C ATOM 0 H THR A 26 -16.047 31.336 16.359 1.00 0.00 H new ATOM 0 HA THR A 26 -14.420 31.345 13.903 1.00 0.00 H new ATOM 0 HB THR A 26 -13.536 32.156 16.705 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.174 33.587 14.312 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.387 32.702 15.622 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.775 30.972 15.466 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.005 32.064 14.080 1.00 0.00 H new ATOM 407 N PHE A 27 -13.583 29.067 14.410 1.00 0.00 N ATOM 408 CA PHE A 27 -13.004 27.755 14.678 1.00 0.00 C ATOM 409 C PHE A 27 -12.093 27.312 13.540 1.00 0.00 C ATOM 410 O PHE A 27 -12.124 27.882 12.450 1.00 0.00 O ATOM 411 CB PHE A 27 -14.107 26.718 14.902 1.00 0.00 C ATOM 412 CG PHE A 27 -15.048 26.575 13.740 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.169 27.385 13.632 1.00 0.00 C ATOM 414 CD2 PHE A 27 -14.816 25.629 12.752 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.036 27.254 12.564 1.00 0.00 C ATOM 416 CE2 PHE A 27 -15.681 25.497 11.683 1.00 0.00 C ATOM 417 CZ PHE A 27 -16.791 26.310 11.588 1.00 0.00 C ATOM 0 H PHE A 27 -13.596 29.328 13.424 1.00 0.00 H new ATOM 0 HA PHE A 27 -12.404 27.835 15.584 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -13.648 25.751 15.107 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -14.678 26.994 15.788 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.366 28.127 14.392 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.949 24.988 12.819 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.906 27.891 12.493 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.488 24.756 10.921 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.467 26.208 10.752 1.00 0.00 H new ATOM 427 N THR A 28 -11.279 26.295 13.803 1.00 0.00 N ATOM 428 CA THR A 28 -10.232 25.894 12.871 1.00 0.00 C ATOM 429 C THR A 28 -10.012 24.385 12.907 1.00 0.00 C ATOM 430 O THR A 28 -10.408 23.714 13.861 1.00 0.00 O ATOM 431 CB THR A 28 -8.901 26.605 13.176 1.00 0.00 C ATOM 432 OG1 THR A 28 -7.936 26.271 12.170 1.00 0.00 O ATOM 433 CG2 THR A 28 -8.372 26.186 14.539 1.00 0.00 C ATOM 0 H THR A 28 -11.324 25.734 14.654 1.00 0.00 H new ATOM 0 HA THR A 28 -10.568 26.186 11.876 1.00 0.00 H new ATOM 0 HB THR A 28 -9.075 27.681 13.180 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.384 26.187 11.302 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.431 26.699 14.737 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.098 26.450 15.308 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.208 25.109 14.550 1.00 0.00 H new ATOM 441 N CYS A 29 -9.376 23.858 11.865 1.00 0.00 N ATOM 442 CA CYS A 29 -9.143 22.424 11.758 1.00 0.00 C ATOM 443 C CYS A 29 -7.764 22.133 11.177 1.00 0.00 C ATOM 444 O CYS A 29 -7.294 22.843 10.286 1.00 0.00 O ATOM 445 CB CYS A 29 -10.240 21.974 10.792 1.00 0.00 C ATOM 446 SG CYS A 29 -10.449 20.182 10.678 1.00 0.00 S ATOM 0 H CYS A 29 -9.013 24.404 11.083 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.171 21.913 12.720 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.185 22.418 11.103 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.016 22.365 9.800 1.00 0.00 H new ATOM 0 HG CYS A 29 -9.935 19.617 11.730 1.00 0.00 H new ATOM 452 N ARG A 30 -7.119 21.091 11.687 1.00 0.00 N ATOM 453 CA ARG A 30 -5.753 20.767 11.296 1.00 0.00 C ATOM 454 C ARG A 30 -5.658 19.349 10.749 1.00 0.00 C ATOM 455 O ARG A 30 -6.248 18.419 11.298 1.00 0.00 O ATOM 456 CB ARG A 30 -4.763 20.996 12.430 1.00 0.00 C ATOM 457 CG ARG A 30 -3.311 20.713 12.079 1.00 0.00 C ATOM 458 CD ARG A 30 -2.349 21.008 13.170 1.00 0.00 C ATOM 459 NE ARG A 30 -2.172 22.424 13.452 1.00 0.00 N ATOM 460 CZ ARG A 30 -1.598 22.915 14.567 1.00 0.00 C ATOM 461 NH1 ARG A 30 -1.176 22.115 15.521 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 -1.490 24.227 14.687 1.00 0.00 N ATOM 0 H ARG A 30 -7.522 20.454 12.374 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.477 21.452 10.494 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.846 22.031 12.762 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.047 20.367 13.273 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.215 19.664 11.800 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.040 21.302 11.203 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.685 20.509 14.079 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.381 20.579 12.910 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.506 23.092 12.757 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.281 21.105 15.423 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.744 22.504 16.359 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.837 24.837 13.947 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.060 24.629 15.520 1.00 0.00 H new ATOM 476 N VAL A 31 -4.911 19.189 9.662 1.00 0.00 N ATOM 477 CA VAL A 31 -4.843 17.915 8.959 1.00 0.00 C ATOM 478 C VAL A 31 -3.403 17.432 8.828 1.00 0.00 C ATOM 479 O VAL A 31 -2.545 18.147 8.316 1.00 0.00 O ATOM 480 CB VAL A 31 -5.471 18.011 7.556 1.00 0.00 C ATOM 481 CG1 VAL A 31 -5.379 16.674 6.837 1.00 0.00 C ATOM 482 CG2 VAL A 31 -6.921 18.464 7.650 1.00 0.00 C ATOM 0 H VAL A 31 -4.343 19.928 9.248 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.410 17.198 9.553 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.914 18.751 6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.828 16.761 5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.333 16.386 6.737 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.911 15.915 7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.348 18.526 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.489 17.747 8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.966 19.444 8.125 1.00 0.00 H new ATOM 492 N ALA A 32 -3.149 16.213 9.294 1.00 0.00 N ATOM 493 CA ALA A 32 -1.823 15.615 9.190 1.00 0.00 C ATOM 494 C ALA A 32 -1.641 14.905 7.856 1.00 0.00 C ATOM 495 O ALA A 32 -1.492 13.684 7.807 1.00 0.00 O ATOM 496 CB ALA A 32 -1.585 14.652 10.346 1.00 0.00 C ATOM 0 H ALA A 32 -3.844 15.620 9.747 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.086 16.416 9.244 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.591 14.213 10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.659 15.192 11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.335 13.861 10.321 1.00 0.00 H new ATOM 502 N GLY A 33 -1.656 15.677 6.774 1.00 0.00 N ATOM 503 CA GLY A 33 -1.533 15.119 5.433 1.00 0.00 C ATOM 504 C GLY A 33 -0.180 15.449 4.821 1.00 0.00 C ATOM 505 O GLY A 33 0.497 16.381 5.253 1.00 0.00 O ATOM 0 H GLY A 33 -1.752 16.692 6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.663 14.037 5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.327 15.512 4.799 1.00 0.00 H new ATOM 509 N ASN A 34 0.214 14.679 3.804 1.00 0.00 N ATOM 510 CA ASN A 34 1.477 14.910 3.109 1.00 0.00 C ATOM 511 C ASN A 34 1.427 14.366 1.701 1.00 0.00 C ATOM 512 O ASN A 34 1.462 13.153 1.483 1.00 0.00 O ATOM 513 CB ASN A 34 2.638 14.255 3.911 1.00 0.00 C ATOM 514 CG ASN A 34 4.066 14.595 3.468 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.323 14.974 2.336 1.00 0.00 O ATOM 516 ND2 ASN A 34 5.042 14.452 4.324 1.00 0.00 N ATOM 0 H ASN A 34 -0.325 13.891 3.445 1.00 0.00 H new ATOM 0 HA ASN A 34 1.651 15.984 3.041 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.531 14.540 4.957 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.516 13.173 3.862 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.001 14.656 4.043 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.845 14.136 5.274 1.00 0.00 H new ATOM 523 N PRO A 35 1.367 15.270 0.727 1.00 0.00 N ATOM 524 CA PRO A 35 1.552 16.690 0.992 1.00 0.00 C ATOM 525 C PRO A 35 0.325 17.289 1.670 1.00 0.00 C ATOM 526 O PRO A 35 -0.724 16.654 1.752 1.00 0.00 O ATOM 527 CB PRO A 35 1.802 17.299 -0.391 1.00 0.00 C ATOM 528 CG PRO A 35 2.164 16.136 -1.249 1.00 0.00 C ATOM 529 CD PRO A 35 1.380 14.974 -0.697 1.00 0.00 C ATOM 0 HA PRO A 35 2.376 16.888 1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.915 17.809 -0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.605 18.036 -0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.909 16.322 -2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.236 15.940 -1.213 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.374 14.926 -1.113 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.860 14.019 -0.911 1.00 0.00 H new ATOM 537 N LYS A 36 0.471 18.518 2.161 1.00 0.00 N ATOM 538 CA LYS A 36 -0.619 19.195 2.855 1.00 0.00 C ATOM 539 C LYS A 36 -1.831 19.355 1.946 1.00 0.00 C ATOM 540 O LYS A 36 -1.774 20.053 0.934 1.00 0.00 O ATOM 541 CB LYS A 36 -0.163 20.561 3.369 1.00 0.00 C ATOM 542 CG LYS A 36 0.704 20.506 4.620 1.00 0.00 C ATOM 543 CD LYS A 36 1.937 19.643 4.402 1.00 0.00 C ATOM 544 CE LYS A 36 3.012 19.940 5.437 1.00 0.00 C ATOM 545 NZ LYS A 36 2.558 19.621 6.818 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.331 19.063 2.091 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.908 18.578 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.393 21.066 2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.043 21.169 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.009 21.515 4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.122 20.108 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.660 18.590 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.334 19.819 3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.907 19.362 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.289 20.993 5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.385 19.508 7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.961 20.394 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.010 18.737 6.808 1.00 0.00 H new ATOM 559 N PRO A 37 -2.931 18.704 2.316 1.00 0.00 N ATOM 560 CA PRO A 37 -4.134 18.707 1.493 1.00 0.00 C ATOM 561 C PRO A 37 -4.646 20.124 1.269 1.00 0.00 C ATOM 562 O PRO A 37 -4.451 21.004 2.105 1.00 0.00 O ATOM 563 CB PRO A 37 -5.129 17.851 2.283 1.00 0.00 C ATOM 564 CG PRO A 37 -4.273 16.956 3.115 1.00 0.00 C ATOM 565 CD PRO A 37 -3.071 17.787 3.484 1.00 0.00 C ATOM 0 HA PRO A 37 -3.962 18.311 0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.779 18.468 2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.775 17.277 1.618 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.805 16.617 4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.980 16.065 2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.229 18.336 4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.182 17.172 3.624 1.00 0.00 H new ATOM 573 N LYS A 38 -5.303 20.339 0.132 1.00 0.00 N ATOM 574 CA LYS A 38 -5.917 21.625 -0.165 1.00 0.00 C ATOM 575 C LYS A 38 -7.273 21.761 0.516 1.00 0.00 C ATOM 576 O LYS A 38 -8.314 21.536 -0.099 1.00 0.00 O ATOM 577 CB LYS A 38 -6.066 21.811 -1.675 1.00 0.00 C ATOM 578 CG LYS A 38 -4.747 21.933 -2.428 1.00 0.00 C ATOM 579 CD LYS A 38 -4.978 22.152 -3.916 1.00 0.00 C ATOM 580 CE LYS A 38 -3.661 22.282 -4.667 1.00 0.00 C ATOM 581 NZ LYS A 38 -3.870 22.491 -6.125 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.422 19.637 -0.598 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.262 22.404 0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.624 20.967 -2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.661 22.705 -1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.169 22.763 -2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.156 21.030 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.551 21.319 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.574 23.052 -4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.092 23.117 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.064 21.383 -4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.948 22.575 -6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.391 21.682 -6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.417 23.362 -6.276 1.00 0.00 H new ATOM 595 N ILE A 39 -7.252 22.126 1.794 1.00 0.00 N ATOM 596 CA ILE A 39 -8.468 22.182 2.597 1.00 0.00 C ATOM 597 C ILE A 39 -9.473 23.162 2.003 1.00 0.00 C ATOM 598 O ILE A 39 -9.167 24.337 1.807 1.00 0.00 O ATOM 599 CB ILE A 39 -8.166 22.587 4.052 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.356 21.494 4.754 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.458 22.864 4.806 1.00 0.00 C ATOM 602 CD1 ILE A 39 -6.830 21.901 6.111 1.00 0.00 C ATOM 0 H ILE A 39 -6.404 22.388 2.297 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.896 21.180 2.592 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.572 23.501 4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.981 20.608 4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.516 21.212 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.226 23.149 5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.998 23.675 4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.077 21.967 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.267 21.075 6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.178 22.768 6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.665 22.154 6.764 1.00 0.00 H new ATOM 614 N TYR A 40 -10.675 22.670 1.721 1.00 0.00 N ATOM 615 CA TYR A 40 -11.765 23.524 1.264 1.00 0.00 C ATOM 616 C TYR A 40 -12.929 23.507 2.247 1.00 0.00 C ATOM 617 O TYR A 40 -13.216 22.481 2.864 1.00 0.00 O ATOM 618 CB TYR A 40 -12.243 23.086 -0.122 1.00 0.00 C ATOM 619 CG TYR A 40 -11.198 23.234 -1.206 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.798 24.489 -1.640 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.616 22.120 -1.793 1.00 0.00 C ATOM 622 CE1 TYR A 40 -9.844 24.631 -2.630 1.00 0.00 C ATOM 623 CE2 TYR A 40 -9.661 22.249 -2.782 1.00 0.00 C ATOM 624 CZ TYR A 40 -9.277 23.508 -3.199 1.00 0.00 C ATOM 625 OH TYR A 40 -8.327 23.644 -4.184 1.00 0.00 O ATOM 0 H TYR A 40 -10.919 21.683 1.801 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.385 24.544 1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.558 22.044 -0.074 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.121 23.672 -0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.239 25.370 -1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.915 21.134 -1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.544 25.616 -2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.217 21.371 -3.227 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.030 22.757 -4.476 1.00 0.00 H new ATOM 635 N TRP A 41 -13.595 24.646 2.388 1.00 0.00 N ATOM 636 CA TRP A 41 -14.818 24.725 3.181 1.00 0.00 C ATOM 637 C TRP A 41 -16.042 24.886 2.292 1.00 0.00 C ATOM 638 O TRP A 41 -16.006 25.603 1.292 1.00 0.00 O ATOM 639 CB TRP A 41 -14.729 25.889 4.175 1.00 0.00 C ATOM 640 CG TRP A 41 -13.700 25.686 5.244 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.388 26.053 5.191 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.897 25.075 6.526 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.756 25.706 6.358 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.661 25.106 7.195 1.00 0.00 C ATOM 645 CE3 TRP A 41 -15.001 24.503 7.168 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.497 24.587 8.472 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.837 23.989 8.448 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.619 24.029 9.081 1.00 0.00 C ATOM 0 H TRP A 41 -13.310 25.529 1.964 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.923 23.791 3.733 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.499 26.805 3.630 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.703 26.032 4.642 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.916 26.545 4.353 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.771 25.868 6.569 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.962 24.462 6.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.540 24.615 8.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.683 23.550 8.955 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.529 23.618 10.076 1.00 0.00 H new ATOM 659 N PHE A 42 -17.129 24.216 2.663 1.00 0.00 N ATOM 660 CA PHE A 42 -18.418 24.426 2.017 1.00 0.00 C ATOM 661 C PHE A 42 -19.567 24.169 2.978 1.00 0.00 C ATOM 662 O PHE A 42 -19.479 23.304 3.852 1.00 0.00 O ATOM 663 CB PHE A 42 -18.551 23.527 0.786 1.00 0.00 C ATOM 664 CG PHE A 42 -18.358 22.067 1.079 1.00 0.00 C ATOM 665 CD1 PHE A 42 -17.086 21.515 1.124 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.447 21.242 1.310 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.907 20.172 1.392 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.271 19.897 1.580 1.00 0.00 C ATOM 669 CZ PHE A 42 -18.001 19.363 1.620 1.00 0.00 C ATOM 0 H PHE A 42 -17.141 23.521 3.410 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.466 25.469 1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.538 23.673 0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.820 23.838 0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.225 22.143 0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.445 21.654 1.279 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.911 19.755 1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.128 19.265 1.759 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.862 18.313 1.830 1.00 0.00 H new ATOM 679 N LYS A 43 -20.647 24.928 2.819 1.00 0.00 N ATOM 680 CA LYS A 43 -21.758 24.886 3.765 1.00 0.00 C ATOM 681 C LYS A 43 -22.988 24.238 3.142 1.00 0.00 C ATOM 682 O LYS A 43 -23.618 24.809 2.253 1.00 0.00 O ATOM 683 CB LYS A 43 -22.096 26.297 4.254 1.00 0.00 C ATOM 684 CG LYS A 43 -23.041 26.338 5.445 1.00 0.00 C ATOM 685 CD LYS A 43 -24.492 26.463 5.001 1.00 0.00 C ATOM 686 CE LYS A 43 -25.401 26.819 6.167 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.831 26.527 5.869 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.777 25.579 2.045 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.450 24.280 4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.171 26.807 4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.542 26.856 3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.918 25.433 6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.782 27.179 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.573 27.227 4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.820 25.524 4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -25.093 26.260 7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.289 27.877 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.393 26.622 6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.181 27.198 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.919 25.557 5.504 1.00 0.00 H new ATOM 701 N ASP A 44 -23.321 23.041 3.611 1.00 0.00 N ATOM 702 CA ASP A 44 -24.429 22.277 3.047 1.00 0.00 C ATOM 703 C ASP A 44 -24.274 22.115 1.540 1.00 0.00 C ATOM 704 O ASP A 44 -25.262 22.082 0.806 1.00 0.00 O ATOM 705 CB ASP A 44 -25.766 22.951 3.370 1.00 0.00 C ATOM 706 CG ASP A 44 -26.149 22.915 4.842 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.498 22.225 5.589 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.984 23.694 5.237 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.839 22.578 4.381 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.415 21.286 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.723 23.990 3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.552 22.467 2.791 1.00 0.00 H new ATOM 713 N GLY A 45 -23.032 22.018 1.086 1.00 0.00 N ATOM 714 CA GLY A 45 -22.748 21.788 -0.327 1.00 0.00 C ATOM 715 C GLY A 45 -22.450 23.100 -1.046 1.00 0.00 C ATOM 716 O GLY A 45 -22.181 23.110 -2.247 1.00 0.00 O ATOM 0 H GLY A 45 -22.203 22.095 1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.897 21.114 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.600 21.297 -0.797 1.00 0.00 H new ATOM 720 N LYS A 46 -22.499 24.200 -0.304 1.00 0.00 N ATOM 721 CA LYS A 46 -22.266 25.520 -0.876 1.00 0.00 C ATOM 722 C LYS A 46 -20.813 25.945 -0.702 1.00 0.00 C ATOM 723 O LYS A 46 -20.412 26.393 0.374 1.00 0.00 O ATOM 724 CB LYS A 46 -23.196 26.554 -0.237 1.00 0.00 C ATOM 725 CG LYS A 46 -24.678 26.288 -0.458 1.00 0.00 C ATOM 726 CD LYS A 46 -25.539 27.306 0.275 1.00 0.00 C ATOM 727 CE LYS A 46 -27.019 27.070 0.016 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.867 28.135 0.617 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.698 24.204 0.696 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.481 25.464 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -23.001 26.587 0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.953 27.539 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.900 26.322 -1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.925 25.284 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.342 27.248 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.268 28.312 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.197 27.028 -1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.309 26.102 0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.868 27.936 0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.717 28.159 1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.609 29.056 0.209 1.00 0.00 H new ATOM 742 N GLN A 47 -20.026 25.801 -1.762 1.00 0.00 N ATOM 743 CA GLN A 47 -18.607 26.130 -1.715 1.00 0.00 C ATOM 744 C GLN A 47 -18.385 27.531 -1.163 1.00 0.00 C ATOM 745 O GLN A 47 -18.998 28.496 -1.625 1.00 0.00 O ATOM 746 CB GLN A 47 -17.985 26.020 -3.110 1.00 0.00 C ATOM 747 CG GLN A 47 -16.482 26.239 -3.139 1.00 0.00 C ATOM 748 CD GLN A 47 -15.902 26.091 -4.533 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.635 25.909 -5.509 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.579 26.162 -4.634 1.00 0.00 N ATOM 0 H GLN A 47 -20.348 25.458 -2.667 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.123 25.415 -1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.205 25.033 -3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.460 26.749 -3.766 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.255 27.235 -2.758 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.001 25.525 -2.471 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.011 26.314 -3.800 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.131 26.065 -5.545 1.00 0.00 H new ATOM 759 N ILE A 48 -17.506 27.640 -0.172 1.00 0.00 N ATOM 760 CA ILE A 48 -17.210 28.922 0.457 1.00 0.00 C ATOM 761 C ILE A 48 -15.916 29.514 -0.084 1.00 0.00 C ATOM 762 O ILE A 48 -14.866 28.874 -0.046 1.00 0.00 O ATOM 763 CB ILE A 48 -17.103 28.789 1.987 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.434 28.316 2.577 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.682 30.113 2.607 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.352 27.930 4.036 1.00 0.00 C ATOM 0 H ILE A 48 -16.985 26.853 0.214 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.038 29.589 0.217 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.341 28.044 2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -19.174 29.108 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.791 27.460 2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.611 30.002 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.712 30.409 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.421 30.878 2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.333 27.606 4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.637 27.116 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -18.026 28.789 4.622 1.00 0.00 H new ATOM 778 N SER A 49 -15.997 30.743 -0.583 1.00 0.00 N ATOM 779 CA SER A 49 -14.812 31.471 -1.020 1.00 0.00 C ATOM 780 C SER A 49 -14.183 32.244 0.131 1.00 0.00 C ATOM 781 O SER A 49 -14.877 32.931 0.882 1.00 0.00 O ATOM 782 CB SER A 49 -15.166 32.411 -2.155 1.00 0.00 C ATOM 783 OG SER A 49 -14.082 33.217 -2.529 1.00 0.00 O ATOM 0 H SER A 49 -16.872 31.256 -0.695 1.00 0.00 H new ATOM 0 HA SER A 49 -14.080 30.745 -1.375 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.500 31.831 -3.015 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.001 33.044 -1.854 1.00 0.00 H new ATOM 0 HG SER A 49 -14.351 33.807 -3.264 1.00 0.00 H new ATOM 789 N PRO A 50 -12.866 32.127 0.267 1.00 0.00 N ATOM 790 CA PRO A 50 -12.137 32.846 1.303 1.00 0.00 C ATOM 791 C PRO A 50 -12.409 34.345 1.231 1.00 0.00 C ATOM 792 O PRO A 50 -12.497 34.918 0.144 1.00 0.00 O ATOM 793 CB PRO A 50 -10.668 32.511 1.026 1.00 0.00 C ATOM 794 CG PRO A 50 -10.713 31.203 0.312 1.00 0.00 C ATOM 795 CD PRO A 50 -11.956 31.253 -0.536 1.00 0.00 C ATOM 0 HA PRO A 50 -12.437 32.556 2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.193 33.280 0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.096 32.439 1.951 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.824 31.060 -0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.751 30.372 1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.757 31.673 -1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.380 30.261 -0.692 1.00 0.00 H new ATOM 803 N LYS A 51 -12.535 34.976 2.393 1.00 0.00 N ATOM 804 CA LYS A 51 -12.740 36.417 2.463 1.00 0.00 C ATOM 805 C LYS A 51 -14.001 36.831 1.715 1.00 0.00 C ATOM 806 O LYS A 51 -13.959 37.691 0.833 1.00 0.00 O ATOM 807 CB LYS A 51 -11.526 37.157 1.899 1.00 0.00 C ATOM 808 CG LYS A 51 -10.230 36.911 2.660 1.00 0.00 C ATOM 809 CD LYS A 51 -9.074 37.686 2.047 1.00 0.00 C ATOM 810 CE LYS A 51 -7.778 37.440 2.806 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.620 38.121 2.167 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.499 34.511 3.300 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.863 36.687 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.385 36.860 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.736 38.227 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.356 37.205 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.000 35.846 2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.949 37.392 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.304 38.751 2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.886 37.794 3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.585 36.368 2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.758 37.928 2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.500 37.766 1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.791 39.146 2.141 1.00 0.00 H new ATOM 825 N SER A 52 -15.124 36.217 2.074 1.00 0.00 N ATOM 826 CA SER A 52 -16.404 36.545 1.459 1.00 0.00 C ATOM 827 C SER A 52 -17.167 37.570 2.287 1.00 0.00 C ATOM 828 O SER A 52 -16.588 38.260 3.128 1.00 0.00 O ATOM 829 CB SER A 52 -17.234 35.288 1.281 1.00 0.00 C ATOM 830 OG SER A 52 -18.370 35.516 0.493 1.00 0.00 O ATOM 0 H SER A 52 -15.173 35.490 2.788 1.00 0.00 H new ATOM 0 HA SER A 52 -16.208 36.984 0.481 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.623 34.512 0.820 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.540 34.914 2.258 1.00 0.00 H new ATOM 0 HG SER A 52 -18.877 34.682 0.401 1.00 0.00 H new ATOM 836 N ASP A 53 -18.469 37.674 2.041 1.00 0.00 N ATOM 837 CA ASP A 53 -19.305 38.650 2.726 1.00 0.00 C ATOM 838 C ASP A 53 -19.206 38.494 4.240 1.00 0.00 C ATOM 839 O ASP A 53 -19.059 39.474 4.966 1.00 0.00 O ATOM 840 CB ASP A 53 -20.762 38.517 2.278 1.00 0.00 C ATOM 841 CG ASP A 53 -21.034 39.019 0.865 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.179 39.671 0.314 1.00 0.00 O ATOM 843 OD2 ASP A 53 -22.018 38.618 0.293 1.00 0.00 O1- ATOM 0 H ASP A 53 -18.968 37.091 1.369 1.00 0.00 H new ATOM 0 HA ASP A 53 -18.943 39.643 2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.055 37.469 2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.395 39.067 2.974 1.00 0.00 H new ATOM 848 N HIS A 54 -19.290 37.252 4.707 1.00 0.00 N ATOM 849 CA HIS A 54 -19.201 36.961 6.134 1.00 0.00 C ATOM 850 C HIS A 54 -18.302 35.763 6.396 1.00 0.00 C ATOM 851 O HIS A 54 -18.035 35.420 7.550 1.00 0.00 O ATOM 852 CB HIS A 54 -20.594 36.709 6.722 1.00 0.00 C ATOM 853 CG HIS A 54 -21.505 37.895 6.641 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.373 38.990 7.468 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.560 38.156 5.834 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.309 39.876 7.172 1.00 0.00 C ATOM 857 NE2 HIS A 54 -23.041 39.394 6.185 1.00 0.00 N ATOM 0 H HIS A 54 -19.420 36.430 4.117 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.763 37.832 6.622 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -21.054 35.872 6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.490 36.412 7.766 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.950 37.512 5.060 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.450 40.831 7.655 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.836 39.865 5.753 1.00 0.00 H new ATOM 865 N TYR A 55 -17.841 35.129 5.327 1.00 0.00 N ATOM 866 CA TYR A 55 -17.086 33.884 5.439 1.00 0.00 C ATOM 867 C TYR A 55 -15.611 34.109 5.137 1.00 0.00 C ATOM 868 O TYR A 55 -15.190 34.101 3.981 1.00 0.00 O ATOM 869 CB TYR A 55 -17.658 32.822 4.496 1.00 0.00 C ATOM 870 CG TYR A 55 -19.051 32.364 4.861 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.548 32.546 6.143 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.870 31.754 3.921 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.822 32.129 6.482 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.142 31.334 4.248 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.616 31.522 5.530 1.00 0.00 C ATOM 876 OH TYR A 55 -22.885 31.107 5.861 1.00 0.00 O ATOM 0 H TYR A 55 -17.976 35.455 4.370 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.176 33.530 6.466 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.672 33.221 3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.992 31.959 4.490 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.929 33.022 6.889 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.505 31.606 2.916 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.193 32.277 7.485 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.765 30.860 3.504 1.00 0.00 H new ATOM 0 HH TYR A 55 -22.852 30.583 6.689 1.00 0.00 H new ATOM 886 N THR A 56 -14.822 34.310 6.191 1.00 0.00 N ATOM 887 CA THR A 56 -13.388 34.533 6.044 1.00 0.00 C ATOM 888 C THR A 56 -12.605 33.255 6.306 1.00 0.00 C ATOM 889 O THR A 56 -12.735 32.639 7.365 1.00 0.00 O ATOM 890 CB THR A 56 -12.886 35.635 6.996 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.551 36.869 6.695 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.384 35.823 6.849 1.00 0.00 C ATOM 0 H THR A 56 -15.153 34.323 7.156 1.00 0.00 H new ATOM 0 HA THR A 56 -13.223 34.853 5.015 1.00 0.00 H new ATOM 0 HB THR A 56 -13.105 35.337 8.021 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.232 37.569 7.302 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.047 36.605 7.529 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.875 34.889 7.089 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.152 36.109 5.823 1.00 0.00 H new ATOM 900 N ILE A 57 -11.786 32.857 5.338 1.00 0.00 N ATOM 901 CA ILE A 57 -10.989 31.640 5.457 1.00 0.00 C ATOM 902 C ILE A 57 -9.502 31.962 5.507 1.00 0.00 C ATOM 903 O ILE A 57 -8.968 32.622 4.613 1.00 0.00 O ATOM 904 CB ILE A 57 -11.255 30.671 4.290 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.721 30.231 4.286 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.334 29.465 4.379 1.00 0.00 C ATOM 907 CD1 ILE A 57 -13.112 29.418 3.073 1.00 0.00 C ATOM 0 H ILE A 57 -11.656 33.360 4.460 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.287 31.159 6.389 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.049 31.190 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.917 29.644 5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.356 31.115 4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.536 28.791 3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.296 29.796 4.335 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.509 28.942 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.165 29.144 3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.950 30.009 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.504 28.515 3.029 1.00 0.00 H new ATOM 919 N GLN A 58 -8.834 31.493 6.555 1.00 0.00 N ATOM 920 CA GLN A 58 -7.384 31.615 6.659 1.00 0.00 C ATOM 921 C GLN A 58 -6.699 30.289 6.361 1.00 0.00 C ATOM 922 O GLN A 58 -7.107 29.240 6.866 1.00 0.00 O ATOM 923 CB GLN A 58 -6.985 32.100 8.055 1.00 0.00 C ATOM 924 CG GLN A 58 -7.479 33.497 8.394 1.00 0.00 C ATOM 925 CD GLN A 58 -6.836 34.563 7.527 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.612 34.613 7.386 1.00 0.00 O ATOM 927 NE2 GLN A 58 -7.660 35.428 6.946 1.00 0.00 N ATOM 0 H GLN A 58 -9.274 31.024 7.346 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.059 32.347 5.919 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.373 31.400 8.795 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.898 32.081 8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.561 33.537 8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.269 33.709 9.442 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.667 35.349 7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.286 36.171 6.356 1.00 0.00 H new ATOM 936 N ARG A 59 -5.657 30.335 5.538 1.00 0.00 N ATOM 937 CA ARG A 59 -4.984 29.128 5.079 1.00 0.00 C ATOM 938 C ARG A 59 -3.546 29.078 5.575 1.00 0.00 C ATOM 939 O ARG A 59 -2.680 29.800 5.076 1.00 0.00 O ATOM 940 CB ARG A 59 -5.059 28.969 3.568 1.00 0.00 C ATOM 941 CG ARG A 59 -6.458 28.740 3.017 1.00 0.00 C ATOM 942 CD ARG A 59 -6.538 28.731 1.534 1.00 0.00 C ATOM 943 NE ARG A 59 -7.854 28.415 1.004 1.00 0.00 N ATOM 944 CZ ARG A 59 -8.139 28.282 -0.306 1.00 0.00 C ATOM 945 NH1 ARG A 59 -7.217 28.474 -1.223 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -9.380 27.977 -0.648 1.00 0.00 N ATOM 0 H ARG A 59 -5.259 31.201 5.174 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.515 28.280 5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.642 29.862 3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.427 28.131 3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.833 27.789 3.395 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.118 29.518 3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.235 29.709 1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.821 28.006 1.148 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.615 28.285 1.671 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.268 28.728 -0.947 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.450 28.369 -2.210 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.091 27.849 0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.626 27.870 -1.632 1.00 0.00 H new ATOM 960 N ASP A 60 -3.292 28.224 6.560 1.00 0.00 N ATOM 961 CA ASP A 60 -1.932 27.961 7.016 1.00 0.00 C ATOM 962 C ASP A 60 -1.310 26.794 6.257 1.00 0.00 C ATOM 963 O ASP A 60 -1.820 25.677 6.289 1.00 0.00 O ATOM 964 CB ASP A 60 -1.916 27.677 8.521 1.00 0.00 C ATOM 965 CG ASP A 60 -0.525 27.474 9.108 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.412 27.396 8.351 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.391 27.556 10.306 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.012 27.701 7.059 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.337 28.852 6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.399 28.505 9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.513 26.787 8.717 1.00 0.00 H new ATOM 972 N LEU A 61 -0.204 27.065 5.571 1.00 0.00 N ATOM 973 CA LEU A 61 0.378 26.102 4.644 1.00 0.00 C ATOM 974 C LEU A 61 0.983 24.920 5.386 1.00 0.00 C ATOM 975 O LEU A 61 1.397 23.935 4.773 1.00 0.00 O ATOM 976 CB LEU A 61 1.439 26.783 3.770 1.00 0.00 C ATOM 977 CG LEU A 61 0.910 27.870 2.827 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.067 28.533 2.093 1.00 0.00 C ATOM 979 CD2 LEU A 61 -0.073 27.254 1.841 1.00 0.00 C ATOM 0 H LEU A 61 0.307 27.945 5.640 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.419 25.724 4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.193 27.225 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.940 26.020 3.174 1.00 0.00 H new ATOM 0 HG LEU A 61 0.392 28.634 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.681 29.304 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.745 28.986 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.605 27.785 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.449 28.027 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.431 26.483 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.906 26.811 2.387 1.00 0.00 H new ATOM 991 N ASP A 62 1.036 25.020 6.710 1.00 0.00 N ATOM 992 CA ASP A 62 1.528 23.932 7.544 1.00 0.00 C ATOM 993 C ASP A 62 0.554 22.760 7.544 1.00 0.00 C ATOM 994 O ASP A 62 0.912 21.644 7.925 1.00 0.00 O ATOM 995 CB ASP A 62 1.768 24.418 8.975 1.00 0.00 C ATOM 996 CG ASP A 62 3.000 25.296 9.144 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.805 25.334 8.244 1.00 0.00 O ATOM 998 OD2 ASP A 62 3.051 26.037 10.096 1.00 0.00 O1- ATOM 0 H ASP A 62 0.743 25.847 7.229 1.00 0.00 H new ATOM 0 HA ASP A 62 2.475 23.591 7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.892 24.975 9.308 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.862 23.551 9.629 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.676 23.019 7.120 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.699 21.979 7.056 1.00 0.00 C ATOM 1005 C GLY A 63 -2.897 22.336 7.928 1.00 0.00 C ATOM 1006 O GLY A 63 -3.657 21.461 8.342 1.00 0.00 O ATOM 0 H GLY A 63 -0.991 23.940 6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.023 21.846 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.277 21.029 7.383 1.00 0.00 H new ATOM 1010 N THR A 64 -3.063 23.623 8.202 1.00 0.00 N ATOM 1011 CA THR A 64 -4.158 24.098 9.040 1.00 0.00 C ATOM 1012 C THR A 64 -4.977 25.167 8.328 1.00 0.00 C ATOM 1013 O THR A 64 -4.434 25.997 7.600 1.00 0.00 O ATOM 1014 CB THR A 64 -3.642 24.667 10.375 1.00 0.00 C ATOM 1015 OG1 THR A 64 -2.812 23.695 11.023 1.00 0.00 O ATOM 1016 CG2 THR A 64 -4.806 25.025 11.287 1.00 0.00 C ATOM 0 H THR A 64 -2.450 24.361 7.855 1.00 0.00 H new ATOM 0 HA THR A 64 -4.792 23.235 9.243 1.00 0.00 H new ATOM 0 HB THR A 64 -3.064 25.568 10.170 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.912 24.063 11.145 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.423 25.425 12.226 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.432 25.774 10.801 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.398 24.132 11.488 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.290 25.141 8.541 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.180 26.129 7.948 1.00 0.00 C ATOM 1026 C CYS A 65 -8.273 26.541 8.928 1.00 0.00 C ATOM 1027 O CYS A 65 -8.839 25.703 9.630 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.778 25.375 6.760 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.695 26.413 5.597 1.00 0.00 S ATOM 0 H CYS A 65 -6.759 24.445 9.121 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.672 27.052 7.669 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.974 24.873 6.223 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.443 24.598 7.137 1.00 0.00 H new ATOM 0 HG CYS A 65 -8.373 27.659 5.781 1.00 0.00 H new ATOM 1035 N SER A 66 -8.561 27.837 8.970 1.00 0.00 N ATOM 1036 CA SER A 66 -9.503 28.379 9.944 1.00 0.00 C ATOM 1037 C SER A 66 -10.672 29.071 9.257 1.00 0.00 C ATOM 1038 O SER A 66 -10.490 29.802 8.281 1.00 0.00 O ATOM 1039 CB SER A 66 -8.793 29.342 10.876 1.00 0.00 C ATOM 1040 OG SER A 66 -9.681 29.967 11.762 1.00 0.00 O ATOM 0 H SER A 66 -8.157 28.532 8.342 1.00 0.00 H new ATOM 0 HA SER A 66 -9.903 27.549 10.527 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.034 28.804 11.443 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.274 30.099 10.288 1.00 0.00 H new ATOM 0 HG SER A 66 -10.425 29.361 11.962 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.875 28.838 9.769 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.078 29.449 9.211 1.00 0.00 C ATOM 1048 C LEU A 67 -13.720 30.406 10.204 1.00 0.00 C ATOM 1049 O LEU A 67 -14.058 30.020 11.321 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.079 28.365 8.792 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.412 28.886 8.239 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -15.177 29.649 6.943 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.361 27.718 8.014 1.00 0.00 C ATOM 0 H LEU A 67 -12.044 28.230 10.570 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.788 30.022 8.330 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.612 27.734 8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.285 27.730 9.654 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.862 29.569 8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.129 30.015 6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.514 30.493 7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.719 28.986 6.208 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.308 28.089 7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.919 27.023 7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.537 27.205 8.959 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.886 31.659 9.790 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.513 32.667 10.635 1.00 0.00 C ATOM 1067 C HIS A 68 -15.791 33.202 10.001 1.00 0.00 C ATOM 1068 O HIS A 68 -15.772 33.730 8.889 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.542 33.821 10.909 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.162 34.968 11.644 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.595 34.867 12.950 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.424 36.238 11.257 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.096 36.029 13.335 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.003 36.876 12.326 1.00 0.00 N ATOM 0 H HIS A 68 -13.594 31.999 8.874 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.773 32.190 11.580 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.698 33.444 11.487 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.143 34.182 9.961 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.217 36.669 10.289 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.510 36.248 14.308 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.312 37.848 12.339 1.00 0.00 H new ATOM 1082 N THR A 69 -16.903 33.059 10.718 1.00 0.00 N ATOM 1083 CA THR A 69 -18.160 33.678 10.311 1.00 0.00 C ATOM 1084 C THR A 69 -18.399 34.982 11.062 1.00 0.00 C ATOM 1085 O THR A 69 -18.482 34.999 12.291 1.00 0.00 O ATOM 1086 CB THR A 69 -19.357 32.738 10.546 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.182 31.539 9.780 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.656 33.413 10.133 1.00 0.00 C ATOM 0 H THR A 69 -16.958 32.520 11.582 1.00 0.00 H new ATOM 0 HA THR A 69 -18.076 33.884 9.244 1.00 0.00 H new ATOM 0 HB THR A 69 -19.407 32.497 11.608 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.943 30.940 9.931 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.490 32.733 10.306 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.798 34.319 10.721 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.612 33.671 9.075 1.00 0.00 H new ATOM 1096 N THR A 70 -18.503 36.077 10.316 1.00 0.00 N ATOM 1097 CA THR A 70 -18.646 37.400 10.913 1.00 0.00 C ATOM 1098 C THR A 70 -19.956 37.521 11.682 1.00 0.00 C ATOM 1099 O THR A 70 -19.983 38.027 12.805 1.00 0.00 O ATOM 1100 CB THR A 70 -18.584 38.510 9.847 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.299 38.496 9.213 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.817 39.873 10.482 1.00 0.00 C ATOM 0 H THR A 70 -18.491 36.074 9.296 1.00 0.00 H new ATOM 0 HA THR A 70 -17.812 37.524 11.603 1.00 0.00 H new ATOM 0 HB THR A 70 -19.364 38.327 9.108 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.262 39.202 8.534 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.770 40.645 9.714 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.799 39.891 10.955 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.049 40.061 11.233 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.037 37.048 11.072 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.364 37.168 11.668 1.00 0.00 C ATOM 1112 C ALA A 71 -23.222 35.949 11.352 1.00 0.00 C ATOM 1113 O ALA A 71 -23.950 35.930 10.361 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.049 38.438 11.183 1.00 0.00 C ATOM 0 H ALA A 71 -21.022 36.579 10.167 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.244 37.223 12.750 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.038 38.514 11.636 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.452 39.305 11.467 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.148 38.406 10.098 1.00 0.00 H new ATOM 1120 N SER A 72 -23.127 34.933 12.203 1.00 0.00 N ATOM 1121 CA SER A 72 -23.850 33.684 11.985 1.00 0.00 C ATOM 1122 C SER A 72 -25.327 33.833 12.336 1.00 0.00 C ATOM 1123 O SER A 72 -25.689 33.913 13.508 1.00 0.00 O ATOM 1124 CB SER A 72 -23.223 32.570 12.800 1.00 0.00 C ATOM 1125 OG SER A 72 -23.897 31.353 12.633 1.00 0.00 O ATOM 0 H SER A 72 -22.558 34.949 13.049 1.00 0.00 H new ATOM 0 HA SER A 72 -23.782 33.432 10.927 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.180 32.450 12.507 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.228 32.845 13.855 1.00 0.00 H new ATOM 0 HG SER A 72 -23.408 30.793 11.994 1.00 0.00 H new ATOM 1131 N THR A 73 -26.171 33.868 11.312 1.00 0.00 N ATOM 1132 CA THR A 73 -27.608 34.014 11.511 1.00 0.00 C ATOM 1133 C THR A 73 -28.338 32.707 11.234 1.00 0.00 C ATOM 1134 O THR A 73 -27.719 31.698 10.898 1.00 0.00 O ATOM 1135 CB THR A 73 -28.193 35.117 10.609 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.075 34.727 9.234 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.457 36.430 10.825 1.00 0.00 C ATOM 0 H THR A 73 -25.885 33.797 10.335 1.00 0.00 H new ATOM 0 HA THR A 73 -27.754 34.294 12.554 1.00 0.00 H new ATOM 0 HB THR A 73 -29.243 35.255 10.866 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.140 34.510 9.035 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.884 37.197 10.179 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.556 36.736 11.867 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.402 36.300 10.584 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.658 32.732 11.381 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.472 31.536 11.184 1.00 0.00 C ATOM 1147 C LEU A 74 -30.354 31.017 9.755 1.00 0.00 C ATOM 1148 O LEU A 74 -30.526 29.825 9.503 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.938 31.829 11.524 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.216 32.137 13.002 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.666 32.566 13.181 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.910 30.906 13.842 1.00 0.00 C ATOM 0 H LEU A 74 -30.188 33.566 11.636 1.00 0.00 H new ATOM 0 HA LEU A 74 -30.101 30.762 11.855 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.272 32.676 10.924 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.542 30.971 11.228 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.575 32.955 13.331 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.854 32.782 14.233 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.857 33.460 12.587 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.326 31.763 12.852 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -32.107 31.124 14.892 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.541 30.078 13.518 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.862 30.633 13.719 1.00 0.00 H new ATOM 1164 N ASP A 75 -30.056 31.918 8.826 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.833 31.539 7.437 1.00 0.00 C ATOM 1166 C ASP A 75 -28.446 30.934 7.249 1.00 0.00 C ATOM 1167 O ASP A 75 -28.182 30.264 6.250 1.00 0.00 O ATOM 1168 CB ASP A 75 -30.011 32.748 6.516 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.453 33.211 6.357 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.336 32.479 6.732 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.655 34.351 6.009 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.963 32.917 9.010 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.573 30.784 7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.417 33.576 6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.611 32.502 5.532 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.566 31.176 8.214 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.214 30.631 8.170 1.00 0.00 C ATOM 1178 C ASP A 76 -26.125 29.315 8.932 1.00 0.00 C ATOM 1179 O ASP A 76 -25.150 28.575 8.801 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.213 31.639 8.743 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.118 32.942 7.961 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.905 32.885 6.773 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.409 33.970 8.525 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.764 31.746 9.036 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.966 30.437 7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.492 31.866 9.772 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.227 31.176 8.775 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.151 29.028 9.729 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.241 27.750 10.428 1.00 0.00 C ATOM 1190 C ASP A 77 -27.189 26.583 9.451 1.00 0.00 C ATOM 1191 O ASP A 77 -27.953 26.530 8.487 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.526 27.686 11.258 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.668 26.423 12.099 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -28.004 25.459 11.803 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.314 26.483 13.119 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.930 29.662 9.906 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.383 27.672 11.096 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.562 28.553 11.917 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.382 27.760 10.587 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.281 25.647 9.705 1.00 0.00 N ATOM 1201 CA GLY A 78 -26.122 24.479 8.845 1.00 0.00 C ATOM 1202 C GLY A 78 -24.769 23.811 9.067 1.00 0.00 C ATOM 1203 O GLY A 78 -24.094 24.074 10.061 1.00 0.00 O ATOM 0 H GLY A 78 -25.643 25.674 10.500 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.921 23.765 9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.216 24.777 7.801 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.383 22.948 8.136 1.00 0.00 N ATOM 1208 CA ASN A 79 -23.176 22.147 8.292 1.00 0.00 C ATOM 1209 C ASN A 79 -22.047 22.674 7.415 1.00 0.00 C ATOM 1210 O ASN A 79 -22.083 22.540 6.191 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.439 20.683 7.985 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.476 20.056 8.874 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.320 19.999 10.101 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.494 19.512 8.257 1.00 0.00 N ATOM 0 H ASN A 79 -24.888 22.785 7.265 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.869 22.227 9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.759 20.590 6.947 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.506 20.127 8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -26.206 19.012 8.790 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.576 19.588 7.243 1.00 0.00 H new ATOM 1221 N TYR A 80 -21.045 23.276 8.048 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.886 23.793 7.329 1.00 0.00 C ATOM 1223 C TYR A 80 -18.850 22.703 7.100 1.00 0.00 C ATOM 1224 O TYR A 80 -17.778 22.713 7.706 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.258 24.959 8.097 1.00 0.00 C ATOM 1226 CG TYR A 80 -20.133 26.192 8.163 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.221 26.247 9.020 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.864 27.298 7.370 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -22.023 27.370 9.086 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.660 28.427 7.425 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.739 28.457 8.284 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.533 29.580 8.345 1.00 0.00 O ATOM 0 H TYR A 80 -21.012 23.418 9.058 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.228 24.149 6.357 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -19.030 24.632 9.112 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.311 25.223 7.627 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.446 25.397 9.647 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -19.019 27.277 6.698 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.866 27.397 9.760 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.439 29.279 6.800 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.466 29.314 8.485 1.00 0.00 H new ATOM 1242 N THR A 81 -19.174 21.758 6.221 1.00 0.00 N ATOM 1243 CA THR A 81 -18.343 20.577 6.018 1.00 0.00 C ATOM 1244 C THR A 81 -16.985 20.955 5.443 1.00 0.00 C ATOM 1245 O THR A 81 -16.895 21.761 4.513 1.00 0.00 O ATOM 1246 CB THR A 81 -19.021 19.561 5.081 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.282 19.164 5.634 1.00 0.00 O ATOM 1248 CG2 THR A 81 -18.142 18.333 4.901 1.00 0.00 C ATOM 0 H THR A 81 -20.009 21.789 5.637 1.00 0.00 H new ATOM 0 HA THR A 81 -18.206 20.117 6.997 1.00 0.00 H new ATOM 0 HB THR A 81 -19.174 20.032 4.110 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.713 18.519 5.036 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.637 17.626 4.236 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.186 18.630 4.469 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.972 17.862 5.869 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.929 20.371 5.995 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.577 20.610 5.508 1.00 0.00 C ATOM 1258 C ILE A 82 -14.032 19.386 4.785 1.00 0.00 C ATOM 1259 O ILE A 82 -14.247 18.252 5.210 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.621 20.986 6.654 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -12.165 20.857 6.199 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.882 20.115 7.873 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -11.160 21.311 7.233 1.00 0.00 C ATOM 0 H ILE A 82 -15.984 19.726 6.783 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.636 21.446 4.811 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.803 22.024 6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.965 19.816 5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -12.025 21.441 5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -13.197 20.395 8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.909 20.257 8.208 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.727 19.068 7.612 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.151 21.189 6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.332 22.361 7.472 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.271 20.711 8.136 1.00 0.00 H new ATOM 1275 N MET A 83 -13.323 19.621 3.682 1.00 0.00 N ATOM 1276 CA MET A 83 -12.729 18.542 2.905 1.00 0.00 C ATOM 1277 C MET A 83 -11.240 18.773 2.688 1.00 0.00 C ATOM 1278 O MET A 83 -10.834 19.805 2.153 1.00 0.00 O ATOM 1279 CB MET A 83 -13.444 18.403 1.562 1.00 0.00 C ATOM 1280 CG MET A 83 -12.943 17.255 0.698 1.00 0.00 C ATOM 1281 SD MET A 83 -13.826 17.129 -0.870 1.00 0.00 S ATOM 1282 CE MET A 83 -15.432 16.569 -0.310 1.00 0.00 C ATOM 0 H MET A 83 -13.147 20.554 3.308 1.00 0.00 H new ATOM 0 HA MET A 83 -12.847 17.616 3.468 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.510 18.266 1.744 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.333 19.335 1.007 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.879 17.390 0.502 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.049 16.319 1.247 1.00 0.00 H new ATOM 0 HE1 MET A 83 -16.041 16.291 -1.170 1.00 0.00 H new ATOM 0 HE2 MET A 83 -15.309 15.704 0.342 1.00 0.00 H new ATOM 0 HE3 MET A 83 -15.925 17.370 0.240 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.427 17.807 3.106 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.984 17.893 2.933 1.00 0.00 C ATOM 1294 C ALA A 84 -8.504 16.954 1.829 1.00 0.00 C ATOM 1295 O ALA A 84 -8.220 15.785 2.077 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.274 17.582 4.244 1.00 0.00 C ATOM 0 H ALA A 84 -10.746 16.955 3.567 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.740 18.913 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.196 17.650 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.584 18.299 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.533 16.574 4.568 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.418 17.478 0.611 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.100 16.662 -0.552 1.00 0.00 C ATOM 1304 C ALA A 85 -6.647 16.845 -0.976 1.00 0.00 C ATOM 1305 O ALA A 85 -6.179 17.970 -1.148 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.039 16.992 -1.704 1.00 0.00 C ATOM 0 H ALA A 85 -8.565 18.466 0.405 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.237 15.616 -0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.789 16.374 -2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.068 16.795 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.934 18.044 -1.969 1.00 0.00 H new ATOM 1312 N ASN A 86 -5.942 15.734 -1.142 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.595 15.756 -1.702 1.00 0.00 C ATOM 1314 C ASN A 86 -4.362 14.569 -2.626 1.00 0.00 C ATOM 1315 O ASN A 86 -5.248 13.742 -2.824 1.00 0.00 O ATOM 1316 CB ASN A 86 -3.540 15.786 -0.611 1.00 0.00 C ATOM 1317 CG ASN A 86 -3.294 14.448 0.030 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -3.949 13.451 -0.297 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -2.413 14.438 0.997 1.00 0.00 N ATOM 0 H ASN A 86 -6.280 14.804 -0.897 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.506 16.671 -2.287 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.605 16.154 -1.033 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.845 16.496 0.157 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.240 13.580 1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.899 15.288 1.227 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.159 14.494 -3.190 1.00 0.00 N ATOM 1327 CA PRO A 87 -2.843 13.475 -4.181 1.00 0.00 C ATOM 1328 C PRO A 87 -3.057 12.073 -3.625 1.00 0.00 C ATOM 1329 O PRO A 87 -3.313 11.127 -4.371 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.375 13.737 -4.531 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.187 15.194 -4.275 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.042 15.501 -3.074 1.00 0.00 C ATOM 0 HA PRO A 87 -3.488 13.528 -5.058 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.706 13.136 -3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.163 13.486 -5.570 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.140 15.427 -4.082 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.492 15.787 -5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.488 15.384 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.417 16.524 -3.096 1.00 0.00 H new ATOM 1340 N GLN A 88 -2.956 11.947 -2.305 1.00 0.00 N ATOM 1341 CA GLN A 88 -2.951 10.639 -1.659 1.00 0.00 C ATOM 1342 C GLN A 88 -4.360 10.216 -1.268 1.00 0.00 C ATOM 1343 O GLN A 88 -4.573 9.098 -0.796 1.00 0.00 O ATOM 1344 CB GLN A 88 -2.053 10.657 -0.418 1.00 0.00 C ATOM 1345 CG GLN A 88 -0.607 11.023 -0.702 1.00 0.00 C ATOM 1346 CD GLN A 88 0.046 10.080 -1.694 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -0.058 8.857 -1.569 1.00 0.00 O ATOM 1348 NE2 GLN A 88 0.728 10.644 -2.684 1.00 0.00 N ATOM 0 H GLN A 88 -2.877 12.735 -1.662 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.558 9.916 -2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.461 11.367 0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.082 9.674 0.052 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.562 12.041 -1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.043 11.012 0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.787 11.660 -2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.192 10.061 -3.380 1.00 0.00 H new ATOM 1357 N GLY A 89 -5.320 11.112 -1.468 1.00 0.00 N ATOM 1358 CA GLY A 89 -6.708 10.836 -1.122 1.00 0.00 C ATOM 1359 C GLY A 89 -7.384 12.065 -0.525 1.00 0.00 C ATOM 1360 O GLY A 89 -6.834 13.167 -0.567 1.00 0.00 O ATOM 0 H GLY A 89 -5.161 12.037 -1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.250 10.516 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.751 10.012 -0.409 1.00 0.00 H new ATOM 1364 N ARG A 90 -8.575 11.869 0.030 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.332 12.964 0.625 1.00 0.00 C ATOM 1366 C ARG A 90 -10.113 12.495 1.846 1.00 0.00 C ATOM 1367 O ARG A 90 -10.363 11.299 2.010 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.237 13.652 -0.386 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.361 12.785 -0.931 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.241 13.469 -1.913 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.373 12.675 -2.364 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.276 13.080 -3.278 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.207 14.279 -3.812 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.250 12.248 -3.605 1.00 0.00 N ATOM 0 H ARG A 90 -9.037 10.961 0.080 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.609 13.709 0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.672 14.536 0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.628 13.999 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.928 11.903 -1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.970 12.434 -0.098 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.615 14.391 -1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.645 13.754 -2.780 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.492 11.746 -1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.462 14.918 -3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.899 14.570 -4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.303 11.328 -3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.949 12.526 -4.294 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.496 13.441 2.696 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.265 13.126 3.893 1.00 0.00 C ATOM 1390 C VAL A 91 -12.129 14.308 4.316 1.00 0.00 C ATOM 1391 O VAL A 91 -11.695 15.460 4.255 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.351 12.725 5.065 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.469 13.895 5.477 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -11.179 12.243 6.247 1.00 0.00 C ATOM 0 H VAL A 91 -10.286 14.432 2.578 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.906 12.281 3.642 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.710 11.907 4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.829 13.594 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.850 14.199 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.095 14.731 5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.516 11.964 7.066 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.844 13.042 6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.771 11.378 5.948 1.00 0.00 H new ATOM 1404 N SER A 92 -13.352 14.020 4.749 1.00 0.00 N ATOM 1405 CA SER A 92 -14.323 15.061 5.055 1.00 0.00 C ATOM 1406 C SER A 92 -14.767 14.995 6.509 1.00 0.00 C ATOM 1407 O SER A 92 -14.745 13.931 7.130 1.00 0.00 O ATOM 1408 CB SER A 92 -15.520 14.943 4.131 1.00 0.00 C ATOM 1409 OG SER A 92 -15.166 15.112 2.786 1.00 0.00 O ATOM 0 H SER A 92 -13.694 13.070 4.896 1.00 0.00 H new ATOM 0 HA SER A 92 -13.844 16.028 4.898 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.985 13.966 4.263 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.265 15.690 4.406 1.00 0.00 H new ATOM 0 HG SER A 92 -15.965 15.027 2.224 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.169 16.139 7.051 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.707 16.199 8.405 1.00 0.00 C ATOM 1417 C CYS A 93 -16.767 17.285 8.531 1.00 0.00 C ATOM 1418 O CYS A 93 -16.621 18.375 7.977 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.476 16.548 9.242 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.801 16.737 11.010 1.00 0.00 S ATOM 0 H CYS A 93 -15.132 17.039 6.572 1.00 0.00 H new ATOM 0 HA CYS A 93 -16.198 15.275 8.711 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.726 15.769 9.105 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -14.046 17.475 8.863 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.674 16.818 11.652 1.00 0.00 H new ATOM 1426 N THR A 94 -17.835 16.984 9.265 1.00 0.00 N ATOM 1427 CA THR A 94 -18.980 17.878 9.347 1.00 0.00 C ATOM 1428 C THR A 94 -18.705 19.045 10.285 1.00 0.00 C ATOM 1429 O THR A 94 -18.304 18.848 11.435 1.00 0.00 O ATOM 1430 CB THR A 94 -20.243 17.136 9.824 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.540 16.064 8.920 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.429 18.086 9.885 1.00 0.00 C ATOM 0 H THR A 94 -17.929 16.127 9.810 1.00 0.00 H new ATOM 0 HA THR A 94 -19.151 18.259 8.340 1.00 0.00 H new ATOM 0 HB THR A 94 -20.058 16.739 10.822 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.343 15.592 9.225 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.312 17.544 10.224 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.211 18.896 10.581 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.615 18.500 8.894 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.917 20.260 9.793 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.746 21.458 10.606 1.00 0.00 C ATOM 1442 C GLY A 95 -20.086 21.970 11.120 1.00 0.00 C ATOM 1443 O GLY A 95 -20.441 23.127 10.901 1.00 0.00 O ATOM 0 H GLY A 95 -19.208 20.442 8.833 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -18.090 21.239 11.448 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.259 22.235 10.016 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.823 21.102 11.804 1.00 0.00 N ATOM 1448 CA ARG A 96 -22.146 21.448 12.307 1.00 0.00 C ATOM 1449 C ARG A 96 -22.109 22.739 13.117 1.00 0.00 C ATOM 1450 O ARG A 96 -21.478 22.800 14.170 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.774 20.311 13.099 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.192 20.573 13.581 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.836 19.413 14.250 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.221 19.632 14.632 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.958 18.771 15.362 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.461 17.620 15.759 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.204 19.104 15.650 1.00 0.00 N ATOM 0 H ARG A 96 -20.525 20.151 12.023 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.784 21.617 11.439 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.776 19.414 12.480 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -22.145 20.099 13.964 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.178 21.415 14.273 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.803 20.871 12.729 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.788 18.552 13.583 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.262 19.159 15.141 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.666 20.497 14.327 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.504 17.367 15.515 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -27.033 16.981 16.311 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.583 19.992 15.322 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.786 18.473 16.201 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.788 23.765 12.618 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.966 25.004 13.368 1.00 0.00 C ATOM 1473 C LEU A 97 -24.441 25.356 13.509 1.00 0.00 C ATOM 1474 O LEU A 97 -25.098 25.722 12.533 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.207 26.150 12.688 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.417 27.535 13.314 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -21.921 27.536 14.754 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.684 28.582 12.490 1.00 0.00 C ATOM 0 H LEU A 97 -23.225 23.764 11.696 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.559 24.854 14.368 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.142 25.919 12.705 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.508 26.193 11.641 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.480 27.775 13.319 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -22.074 28.523 15.191 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.475 26.795 15.330 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.859 27.291 14.773 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.834 29.566 12.935 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.619 28.350 12.471 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -22.073 28.582 11.472 1.00 0.00 H new ATOM 1490 N MET A 98 -24.956 25.242 14.728 1.00 0.00 N ATOM 1491 CA MET A 98 -26.356 25.547 15.000 1.00 0.00 C ATOM 1492 C MET A 98 -26.515 26.956 15.554 1.00 0.00 C ATOM 1493 O MET A 98 -25.693 27.420 16.347 1.00 0.00 O ATOM 1494 CB MET A 98 -26.938 24.528 15.977 1.00 0.00 C ATOM 1495 CG MET A 98 -26.943 23.095 15.463 1.00 0.00 C ATOM 1496 SD MET A 98 -27.974 22.884 13.998 1.00 0.00 S ATOM 1497 CE MET A 98 -29.604 23.147 14.691 1.00 0.00 C ATOM 0 H MET A 98 -24.424 24.940 15.545 1.00 0.00 H new ATOM 0 HA MET A 98 -26.902 25.490 14.059 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.368 24.566 16.905 1.00 0.00 H new ATOM 0 HB3 MET A 98 -27.961 24.818 16.219 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.922 22.793 15.230 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.299 22.432 16.251 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.359 22.778 13.996 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.688 22.611 15.637 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.759 24.212 14.862 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.577 27.637 15.134 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.804 29.022 15.523 1.00 0.00 C ATOM 1509 C VAL A 99 -29.087 29.164 16.331 1.00 0.00 C ATOM 1510 O VAL A 99 -30.148 28.699 15.919 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.876 29.950 14.296 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -28.132 31.386 14.728 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.594 29.859 13.483 1.00 0.00 C ATOM 0 H VAL A 99 -28.295 27.249 14.522 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.955 29.317 16.140 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.706 29.626 13.668 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.180 32.028 13.848 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -29.077 31.440 15.269 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.323 31.720 15.377 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.663 30.521 12.620 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.748 30.157 14.103 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.451 28.833 13.143 1.00 0.00 H new ATOM 1523 N GLN A 100 -28.982 29.811 17.488 1.00 0.00 N ATOM 1524 CA GLN A 100 -30.138 30.057 18.336 1.00 0.00 C ATOM 1525 C GLN A 100 -30.807 31.381 17.987 1.00 0.00 C ATOM 1526 O GLN A 100 -30.162 32.430 17.967 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.730 30.056 19.811 1.00 0.00 C ATOM 1528 CG GLN A 100 -29.187 28.728 20.306 1.00 0.00 C ATOM 1529 CD GLN A 100 -30.233 27.630 20.285 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -31.350 27.809 20.781 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -29.878 26.485 19.716 1.00 0.00 N ATOM 0 H GLN A 100 -28.104 30.174 17.858 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.853 29.253 18.161 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -28.974 30.826 19.968 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -30.595 30.330 20.416 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -28.341 28.431 19.686 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -28.811 28.849 21.322 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -28.944 26.381 19.319 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -30.539 25.709 19.676 1.00 0.00 H new