USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 835 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 19 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0802 X(o=-0.08,f=0) USER MOD Single : A 23 MET CE :methyl 157:sc= -0.502 (180deg=-1.3) USER MOD Single : A 25 MET CE :methyl -152:sc= -0.162 (180deg=-2.21) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 120:sc= -4.42! USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0.013) USER MOD Single : A 41 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.039) USER MOD Single : A 43 GLN : amide:sc= -0.0211 K(o=-0.021,f=-1.9!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.56 K(o=-2.6,f=-0.23) USER MOD Single : A 51 HIS : no HE2:sc= -0.0927 X(o=-0.093,f=-0.48) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.0256 (180deg=-0.334) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 56 HIS : no HD1:sc= -0.0805 X(o=-0.081,f=-0.0094) USER MOD Single : A 58 GLN : amide:sc= -3.08! X(o=-3.1!,f=-2.6) USER MOD Single : A 64 ASN : amide:sc= -0.326 K(o=-0.33,f=-11!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.998 USER MOD Single : A 71 GLN : amide:sc= -2.98 X(o=-3,f=-3.2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -5.61! K(o=-5.6!,f=-4.4) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.25) USER MOD Single : A 92 GLN : amide:sc=-0.00493 K(o=-0.0049,f=-1.7!) USER MOD Single : A 108 HIS : no HD1:sc= -0.699 K(o=-0.7,f=-0.12) USER MOD Single : A 111 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.21) USER MOD Single : A 114 SER OG : rot 109:sc= 1.07 USER MOD Single : A 120 GLN : amide:sc= -1.26 K(o=-1.3,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -166:sc=-0.00546 (180deg=-0.179) USER MOD Single : A 123 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.62) USER MOD Single : A 124 SER OG : rot 180:sc=-0.00686 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -1.909 0.580 14.442 1.00 1.00 N ATOM 108 CA PRO A 9 -0.581 1.236 14.215 1.00 1.00 C ATOM 109 C PRO A 9 -0.693 2.470 13.317 1.00 1.00 C ATOM 110 O PRO A 9 0.045 3.442 13.483 1.00 1.00 O ATOM 111 CB PRO A 9 0.257 0.131 13.550 1.00 1.00 C ATOM 112 CG PRO A 9 -0.740 -0.782 12.908 1.00 1.00 C ATOM 113 CD PRO A 9 -1.987 -0.739 13.792 1.00 1.00 C ATOM 0 HA PRO A 9 -0.139 1.609 15.139 1.00 1.00 H new ATOM 0 HB2 PRO A 9 0.943 0.547 12.812 1.00 1.00 H new ATOM 0 HB3 PRO A 9 0.862 -0.400 14.284 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -0.970 -0.456 11.894 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -0.349 -1.797 12.835 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.899 -0.842 13.204 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -1.987 -1.547 14.524 1.00 1.00 H new ATOM 121 N LEU A 10 -1.625 2.420 12.372 1.00 1.00 N ATOM 122 CA LEU A 10 -1.839 3.533 11.451 1.00 1.00 C ATOM 123 C LEU A 10 -2.547 4.679 12.178 1.00 1.00 C ATOM 124 O LEU A 10 -3.300 4.435 13.120 1.00 1.00 O ATOM 125 CB LEU A 10 -2.697 3.056 10.266 1.00 1.00 C ATOM 126 CG LEU A 10 -4.001 2.377 10.777 1.00 1.00 C ATOM 127 CD1 LEU A 10 -5.211 2.875 9.976 1.00 1.00 C ATOM 128 CD2 LEU A 10 -3.900 0.851 10.627 1.00 1.00 C ATOM 0 H LEU A 10 -2.244 1.623 12.223 1.00 1.00 H new ATOM 0 HA LEU A 10 -0.877 3.889 11.082 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -2.947 3.902 9.626 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -2.128 2.353 9.657 1.00 1.00 H new ATOM 0 HG LEU A 10 -4.128 2.635 11.828 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -6.116 2.391 10.345 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -5.304 3.955 10.091 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -5.074 2.633 8.922 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -4.819 0.388 10.988 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -3.754 0.597 9.577 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -3.055 0.483 11.209 1.00 1.00 H new ATOM 140 N PRO A 11 -2.331 5.915 11.780 1.00 1.00 N ATOM 141 CA PRO A 11 -2.987 7.080 12.449 1.00 1.00 C ATOM 142 C PRO A 11 -4.511 7.012 12.338 1.00 1.00 C ATOM 143 O PRO A 11 -5.056 6.615 11.308 1.00 1.00 O ATOM 144 CB PRO A 11 -2.409 8.306 11.716 1.00 1.00 C ATOM 145 CG PRO A 11 -1.933 7.778 10.403 1.00 1.00 C ATOM 146 CD PRO A 11 -1.461 6.350 10.674 1.00 1.00 C ATOM 0 HA PRO A 11 -2.791 7.110 13.521 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.166 9.079 11.580 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -1.592 8.756 12.281 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -2.733 7.791 9.663 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -1.122 8.389 10.007 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -1.576 5.714 9.796 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -0.408 6.320 10.954 1.00 1.00 H new ATOM 154 N VAL A 12 -5.180 7.397 13.416 1.00 1.00 N ATOM 155 CA VAL A 12 -6.637 7.378 13.467 1.00 1.00 C ATOM 156 C VAL A 12 -7.238 8.425 12.533 1.00 1.00 C ATOM 157 O VAL A 12 -8.219 8.160 11.838 1.00 1.00 O ATOM 158 CB VAL A 12 -7.108 7.631 14.903 1.00 1.00 C ATOM 159 CG1 VAL A 12 -8.634 7.747 14.936 1.00 1.00 C ATOM 160 CG2 VAL A 12 -6.668 6.467 15.794 1.00 1.00 C ATOM 0 H VAL A 12 -4.735 7.728 14.272 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.976 6.396 13.137 1.00 1.00 H new ATOM 0 HB VAL A 12 -6.669 8.560 15.267 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -8.963 7.927 15.959 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -8.950 8.576 14.302 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -9.077 6.821 14.570 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -7.002 6.645 16.816 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -7.107 5.540 15.425 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -5.581 6.386 15.776 1.00 1.00 H new ATOM 170 N GLY A 13 -6.658 9.622 12.539 1.00 1.00 N ATOM 171 CA GLY A 13 -7.159 10.708 11.704 1.00 1.00 C ATOM 172 C GLY A 13 -7.502 10.212 10.304 1.00 1.00 C ATOM 173 O GLY A 13 -8.521 10.598 9.733 1.00 1.00 O ATOM 0 H GLY A 13 -5.847 9.863 13.108 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.044 11.146 12.165 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -6.410 11.497 11.640 1.00 1.00 H new ATOM 177 N ALA A 14 -6.651 9.353 9.761 1.00 1.00 N ATOM 178 CA ALA A 14 -6.883 8.807 8.428 1.00 1.00 C ATOM 179 C ALA A 14 -8.006 7.774 8.459 1.00 1.00 C ATOM 180 O ALA A 14 -8.156 7.041 9.435 1.00 1.00 O ATOM 181 CB ALA A 14 -5.600 8.160 7.899 1.00 1.00 C ATOM 0 H ALA A 14 -5.801 9.021 10.216 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.176 9.622 7.767 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.781 7.755 6.903 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.809 8.909 7.848 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.295 7.356 8.569 1.00 1.00 H new ATOM 187 N GLN A 15 -8.779 7.712 7.375 1.00 1.00 N ATOM 188 CA GLN A 15 -9.878 6.748 7.266 1.00 1.00 C ATOM 189 C GLN A 15 -9.360 5.490 6.566 1.00 1.00 C ATOM 190 O GLN A 15 -9.103 5.535 5.369 1.00 1.00 O ATOM 191 CB GLN A 15 -11.014 7.350 6.427 1.00 1.00 C ATOM 192 CG GLN A 15 -11.523 8.641 7.085 1.00 1.00 C ATOM 193 CD GLN A 15 -12.565 8.316 8.154 1.00 1.00 C ATOM 194 OE1 GLN A 15 -12.369 8.623 9.329 1.00 1.00 O ATOM 195 NE2 GLN A 15 -13.668 7.708 7.812 1.00 1.00 N ATOM 0 H GLN A 15 -8.666 8.316 6.561 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.251 6.505 8.261 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.660 7.561 5.418 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -11.829 6.633 6.335 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -10.689 9.182 7.533 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.959 9.295 6.330 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.829 7.454 6.837 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -14.369 7.487 8.519 1.00 1.00 H new ATOM 204 N PRO A 16 -9.164 4.386 7.258 1.00 1.00 N ATOM 205 CA PRO A 16 -8.611 3.151 6.623 1.00 1.00 C ATOM 206 C PRO A 16 -9.641 2.391 5.788 1.00 1.00 C ATOM 207 O PRO A 16 -10.453 1.634 6.320 1.00 1.00 O ATOM 208 CB PRO A 16 -8.145 2.321 7.826 1.00 1.00 C ATOM 209 CG PRO A 16 -9.072 2.706 8.936 1.00 1.00 C ATOM 210 CD PRO A 16 -9.449 4.176 8.693 1.00 1.00 C ATOM 0 HA PRO A 16 -7.817 3.379 5.912 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -8.201 1.253 7.616 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -7.109 2.541 8.081 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -9.959 2.073 8.939 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -8.589 2.584 9.906 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -10.498 4.362 8.923 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -8.861 4.847 9.319 1.00 1.00 H new ATOM 218 N LEU A 17 -9.584 2.587 4.473 1.00 1.00 N ATOM 219 CA LEU A 17 -10.501 1.901 3.570 1.00 1.00 C ATOM 220 C LEU A 17 -10.220 0.408 3.584 1.00 1.00 C ATOM 221 O LEU A 17 -11.136 -0.415 3.619 1.00 1.00 O ATOM 222 CB LEU A 17 -10.320 2.417 2.142 1.00 1.00 C ATOM 223 CG LEU A 17 -10.623 3.916 2.078 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.421 4.408 0.641 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.072 4.192 2.524 1.00 1.00 C ATOM 0 H LEU A 17 -8.919 3.209 4.013 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.521 2.092 3.904 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.300 2.230 1.807 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -10.982 1.876 1.466 1.00 1.00 H new ATOM 0 HG LEU A 17 -9.947 4.446 2.749 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.635 5.475 0.588 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.390 4.230 0.337 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.094 3.869 -0.026 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.271 5.262 2.473 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.762 3.663 1.867 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.209 3.846 3.549 1.00 1.00 H new ATOM 237 N ALA A 18 -8.935 0.070 3.548 1.00 1.00 N ATOM 238 CA ALA A 18 -8.511 -1.329 3.546 1.00 1.00 C ATOM 239 C ALA A 18 -7.150 -1.471 4.219 1.00 1.00 C ATOM 240 O ALA A 18 -6.326 -0.561 4.167 1.00 1.00 O ATOM 241 CB ALA A 18 -8.429 -1.838 2.104 1.00 1.00 C ATOM 0 H ALA A 18 -8.169 0.743 3.520 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.240 -1.920 4.101 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.113 -2.881 2.104 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.408 -1.756 1.633 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.707 -1.240 1.548 1.00 1.00 H new ATOM 247 N THR A 19 -6.920 -2.622 4.853 1.00 1.00 N ATOM 248 CA THR A 19 -5.648 -2.875 5.536 1.00 1.00 C ATOM 249 C THR A 19 -5.211 -4.320 5.341 1.00 1.00 C ATOM 250 O THR A 19 -5.993 -5.248 5.551 1.00 1.00 O ATOM 251 CB THR A 19 -5.785 -2.569 7.028 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.677 -3.119 7.725 1.00 1.00 O ATOM 253 CG2 THR A 19 -7.083 -3.173 7.562 1.00 1.00 C ATOM 0 H THR A 19 -7.591 -3.388 4.908 1.00 1.00 H new ATOM 0 HA THR A 19 -4.889 -2.222 5.104 1.00 1.00 H new ATOM 0 HB THR A 19 -5.807 -1.489 7.177 1.00 1.00 H new ATOM 0 HG1 THR A 19 -4.762 -2.923 8.681 1.00 1.00 H new ATOM 0 HG21 THR A 19 -7.176 -2.953 8.625 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.931 -2.745 7.027 1.00 1.00 H new ATOM 0 HG23 THR A 19 -7.069 -4.253 7.415 1.00 1.00 H new ATOM 261 N VAL A 20 -3.954 -4.512 4.930 1.00 1.00 N ATOM 262 CA VAL A 20 -3.434 -5.858 4.704 1.00 1.00 C ATOM 263 C VAL A 20 -1.984 -5.964 5.154 1.00 1.00 C ATOM 264 O VAL A 20 -1.282 -4.960 5.267 1.00 1.00 O ATOM 265 CB VAL A 20 -3.534 -6.194 3.214 1.00 1.00 C ATOM 266 CG1 VAL A 20 -5.006 -6.304 2.811 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.871 -5.081 2.397 1.00 1.00 C ATOM 0 H VAL A 20 -3.287 -3.761 4.750 1.00 1.00 H new ATOM 0 HA VAL A 20 -4.026 -6.563 5.287 1.00 1.00 H new ATOM 0 HB VAL A 20 -3.031 -7.142 3.023 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -5.076 -6.543 1.750 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -5.485 -7.092 3.393 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -5.508 -5.355 3.003 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.941 -5.318 1.335 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -3.377 -4.136 2.592 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -1.822 -4.996 2.682 1.00 1.00 H new ATOM 277 N GLU A 21 -1.538 -7.196 5.393 1.00 1.00 N ATOM 278 CA GLU A 21 -0.160 -7.447 5.812 1.00 1.00 C ATOM 279 C GLU A 21 0.609 -8.094 4.669 1.00 1.00 C ATOM 280 O GLU A 21 0.220 -9.149 4.167 1.00 1.00 O ATOM 281 CB GLU A 21 -0.136 -8.370 7.031 1.00 1.00 C ATOM 282 CG GLU A 21 -0.702 -7.629 8.243 1.00 1.00 C ATOM 283 CD GLU A 21 -0.748 -8.563 9.448 1.00 1.00 C ATOM 284 OE1 GLU A 21 -0.371 -9.713 9.295 1.00 1.00 O ATOM 285 OE2 GLU A 21 -1.155 -8.114 10.505 1.00 1.00 O ATOM 0 H GLU A 21 -2.110 -8.036 5.304 1.00 1.00 H new ATOM 0 HA GLU A 21 0.307 -6.499 6.078 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.723 -9.267 6.833 1.00 1.00 H new ATOM 0 HB3 GLU A 21 0.884 -8.695 7.234 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -0.085 -6.760 8.469 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -1.703 -7.260 8.020 1.00 1.00 H new ATOM 292 N GLY A 22 1.699 -7.453 4.257 1.00 1.00 N ATOM 293 CA GLY A 22 2.524 -7.967 3.161 1.00 1.00 C ATOM 294 C GLY A 22 3.993 -7.989 3.556 1.00 1.00 C ATOM 295 O GLY A 22 4.328 -8.110 4.735 1.00 1.00 O ATOM 0 H GLY A 22 2.033 -6.579 4.662 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.199 -8.973 2.896 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.390 -7.345 2.276 1.00 1.00 H new ATOM 299 N MET A 23 4.868 -7.877 2.559 1.00 1.00 N ATOM 300 CA MET A 23 6.308 -7.887 2.803 1.00 1.00 C ATOM 301 C MET A 23 7.018 -6.938 1.847 1.00 1.00 C ATOM 302 O MET A 23 6.853 -7.024 0.631 1.00 1.00 O ATOM 303 CB MET A 23 6.855 -9.306 2.621 1.00 1.00 C ATOM 304 CG MET A 23 6.201 -10.253 3.638 1.00 1.00 C ATOM 305 SD MET A 23 4.609 -10.820 2.989 1.00 1.00 S ATOM 306 CE MET A 23 4.162 -11.896 4.374 1.00 1.00 C ATOM 0 H MET A 23 4.606 -7.779 1.578 1.00 1.00 H new ATOM 0 HA MET A 23 6.490 -7.555 3.825 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.657 -9.654 1.607 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.937 -9.308 2.753 1.00 1.00 H new ATOM 0 HG2 MET A 23 6.853 -11.105 3.830 1.00 1.00 H new ATOM 0 HG3 MET A 23 6.057 -9.741 4.589 1.00 1.00 H new ATOM 0 HE1 MET A 23 3.080 -12.030 4.397 1.00 1.00 H new ATOM 0 HE2 MET A 23 4.645 -12.866 4.252 1.00 1.00 H new ATOM 0 HE3 MET A 23 4.491 -11.442 5.309 1.00 1.00 H new ATOM 316 N GLU A 24 7.811 -6.033 2.410 1.00 1.00 N ATOM 317 CA GLU A 24 8.551 -5.062 1.608 1.00 1.00 C ATOM 318 C GLU A 24 9.893 -5.637 1.174 1.00 1.00 C ATOM 319 O GLU A 24 10.715 -6.019 2.005 1.00 1.00 O ATOM 320 CB GLU A 24 8.766 -3.785 2.422 1.00 1.00 C ATOM 321 CG GLU A 24 9.545 -2.763 1.596 1.00 1.00 C ATOM 322 CD GLU A 24 9.616 -1.440 2.350 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.266 -1.430 3.520 1.00 1.00 O ATOM 324 OE2 GLU A 24 10.017 -0.457 1.750 1.00 1.00 O ATOM 0 H GLU A 24 7.959 -5.950 3.416 1.00 1.00 H new ATOM 0 HA GLU A 24 7.973 -4.829 0.714 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.804 -3.367 2.719 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.310 -4.015 3.338 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.551 -3.133 1.396 1.00 1.00 H new ATOM 0 HG3 GLU A 24 9.061 -2.617 0.630 1.00 1.00 H new ATOM 331 N MET A 25 10.108 -5.697 -0.140 1.00 1.00 N ATOM 332 CA MET A 25 11.353 -6.227 -0.695 1.00 1.00 C ATOM 333 C MET A 25 12.225 -5.094 -1.224 1.00 1.00 C ATOM 334 O MET A 25 11.733 -4.163 -1.860 1.00 1.00 O ATOM 335 CB MET A 25 11.043 -7.191 -1.845 1.00 1.00 C ATOM 336 CG MET A 25 10.311 -8.422 -1.310 1.00 1.00 C ATOM 337 SD MET A 25 10.053 -9.600 -2.661 1.00 1.00 S ATOM 338 CE MET A 25 8.829 -8.643 -3.594 1.00 1.00 C ATOM 0 H MET A 25 9.435 -5.385 -0.840 1.00 1.00 H new ATOM 0 HA MET A 25 11.885 -6.753 0.098 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.431 -6.691 -2.595 1.00 1.00 H new ATOM 0 HB3 MET A 25 11.967 -7.492 -2.337 1.00 1.00 H new ATOM 0 HG2 MET A 25 10.892 -8.887 -0.513 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.353 -8.131 -0.878 1.00 1.00 H new ATOM 0 HE1 MET A 25 8.182 -9.322 -4.149 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.227 -8.052 -2.904 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.341 -7.979 -4.290 1.00 1.00 H new ATOM 348 N LYS A 26 13.529 -5.187 -0.972 1.00 1.00 N ATOM 349 CA LYS A 26 14.478 -4.179 -1.445 1.00 1.00 C ATOM 350 C LYS A 26 15.707 -4.862 -2.027 1.00 1.00 C ATOM 351 O LYS A 26 16.074 -5.962 -1.613 1.00 1.00 O ATOM 352 CB LYS A 26 14.902 -3.244 -0.309 1.00 1.00 C ATOM 353 CG LYS A 26 13.703 -2.422 0.160 1.00 1.00 C ATOM 354 CD LYS A 26 14.150 -1.477 1.276 1.00 1.00 C ATOM 355 CE LYS A 26 12.956 -0.658 1.756 1.00 1.00 C ATOM 356 NZ LYS A 26 13.389 0.262 2.846 1.00 1.00 N ATOM 0 H LYS A 26 13.953 -5.949 -0.443 1.00 1.00 H new ATOM 0 HA LYS A 26 13.986 -3.584 -2.215 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.304 -3.825 0.521 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.698 -2.582 -0.649 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.289 -1.852 -0.672 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.913 -3.081 0.519 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.570 -2.048 2.104 1.00 1.00 H new ATOM 0 HD3 LYS A 26 14.937 -0.815 0.914 1.00 1.00 H new ATOM 0 HE2 LYS A 26 12.538 -0.086 0.928 1.00 1.00 H new ATOM 0 HE3 LYS A 26 12.169 -1.320 2.116 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 12.575 0.820 3.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.769 -0.294 3.639 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 14.126 0.902 2.488 1.00 1.00 H new ATOM 370 N GLY A 27 16.332 -4.206 -2.996 1.00 1.00 N ATOM 371 CA GLY A 27 17.518 -4.746 -3.651 1.00 1.00 C ATOM 372 C GLY A 27 18.418 -5.526 -2.688 1.00 1.00 C ATOM 373 O GLY A 27 18.590 -6.736 -2.834 1.00 1.00 O ATOM 0 H GLY A 27 16.036 -3.295 -3.348 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.212 -5.400 -4.467 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.088 -3.929 -4.094 1.00 1.00 H new ATOM 377 N PRO A 28 19.014 -4.855 -1.736 1.00 1.00 N ATOM 378 CA PRO A 28 19.948 -5.496 -0.754 1.00 1.00 C ATOM 379 C PRO A 28 19.281 -6.580 0.107 1.00 1.00 C ATOM 380 O PRO A 28 19.920 -7.570 0.464 1.00 1.00 O ATOM 381 CB PRO A 28 20.454 -4.309 0.094 1.00 1.00 C ATOM 382 CG PRO A 28 19.419 -3.241 -0.072 1.00 1.00 C ATOM 383 CD PRO A 28 18.862 -3.414 -1.483 1.00 1.00 C ATOM 0 HA PRO A 28 20.751 -6.037 -1.255 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.564 -4.591 1.141 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.431 -3.968 -0.249 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.631 -3.342 0.674 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.856 -2.251 0.057 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.819 -3.103 -1.544 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.415 -2.818 -2.209 1.00 1.00 H new ATOM 391 N LEU A 29 18.001 -6.402 0.432 1.00 1.00 N ATOM 392 CA LEU A 29 17.282 -7.392 1.242 1.00 1.00 C ATOM 393 C LEU A 29 15.803 -7.025 1.345 1.00 1.00 C ATOM 394 O LEU A 29 15.340 -6.108 0.676 1.00 1.00 O ATOM 395 CB LEU A 29 17.895 -7.495 2.655 1.00 1.00 C ATOM 396 CG LEU A 29 18.323 -6.113 3.169 1.00 1.00 C ATOM 397 CD1 LEU A 29 17.123 -5.161 3.185 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.873 -6.257 4.590 1.00 1.00 C ATOM 0 H LEU A 29 17.444 -5.594 0.153 1.00 1.00 H new ATOM 0 HA LEU A 29 17.375 -8.360 0.750 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.169 -7.933 3.340 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.756 -8.162 2.634 1.00 1.00 H new ATOM 0 HG LEU A 29 19.090 -5.706 2.510 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.438 -4.184 3.551 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.726 -5.059 2.175 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.349 -5.562 3.840 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.179 -5.279 4.962 1.00 1.00 H new ATOM 0 HD22 LEU A 29 18.100 -6.667 5.240 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.732 -6.928 4.581 1.00 1.00 H new ATOM 410 N ARG A 30 15.062 -7.748 2.189 1.00 1.00 N ATOM 411 CA ARG A 30 13.635 -7.484 2.377 1.00 1.00 C ATOM 412 C ARG A 30 13.304 -7.379 3.860 1.00 1.00 C ATOM 413 O ARG A 30 14.126 -7.703 4.717 1.00 1.00 O ATOM 414 CB ARG A 30 12.799 -8.594 1.738 1.00 1.00 C ATOM 415 CG ARG A 30 13.041 -9.925 2.455 1.00 1.00 C ATOM 416 CD ARG A 30 12.189 -10.992 1.784 1.00 1.00 C ATOM 417 NE ARG A 30 12.383 -12.287 2.428 1.00 1.00 N ATOM 418 CZ ARG A 30 11.687 -13.356 2.049 1.00 1.00 C ATOM 419 NH1 ARG A 30 10.773 -13.248 1.122 1.00 1.00 N ATOM 420 NH2 ARG A 30 11.912 -14.512 2.611 1.00 1.00 N ATOM 0 H ARG A 30 15.426 -8.518 2.751 1.00 1.00 H new ATOM 0 HA ARG A 30 13.396 -6.537 1.893 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.741 -8.335 1.786 1.00 1.00 H new ATOM 0 HB3 ARG A 30 13.056 -8.690 0.683 1.00 1.00 H new ATOM 0 HG2 ARG A 30 14.096 -10.196 2.407 1.00 1.00 H new ATOM 0 HG3 ARG A 30 12.782 -9.840 3.510 1.00 1.00 H new ATOM 0 HD2 ARG A 30 11.137 -10.709 1.834 1.00 1.00 H new ATOM 0 HD3 ARG A 30 12.450 -11.062 0.728 1.00 1.00 H new ATOM 0 HE ARG A 30 13.064 -12.374 3.182 1.00 1.00 H new ATOM 0 HH11 ARG A 30 10.592 -12.343 0.687 1.00 1.00 H new ATOM 0 HH12 ARG A 30 10.241 -14.068 0.833 1.00 1.00 H new ATOM 0 HH21 ARG A 30 12.621 -14.595 3.340 1.00 1.00 H new ATOM 0 HH22 ARG A 30 11.379 -15.332 2.321 1.00 1.00 H new ATOM 434 N GLU A 31 12.093 -6.922 4.150 1.00 1.00 N ATOM 435 CA GLU A 31 11.644 -6.769 5.531 1.00 1.00 C ATOM 436 C GLU A 31 10.112 -6.853 5.593 1.00 1.00 C ATOM 437 O GLU A 31 9.440 -6.221 4.779 1.00 1.00 O ATOM 438 CB GLU A 31 12.097 -5.407 6.069 1.00 1.00 C ATOM 439 CG GLU A 31 11.496 -4.290 5.213 1.00 1.00 C ATOM 440 CD GLU A 31 12.183 -2.965 5.528 1.00 1.00 C ATOM 441 OE1 GLU A 31 12.006 -2.477 6.632 1.00 1.00 O ATOM 442 OE2 GLU A 31 12.873 -2.456 4.661 1.00 1.00 O ATOM 0 H GLU A 31 11.403 -6.651 3.449 1.00 1.00 H new ATOM 0 HA GLU A 31 12.075 -7.566 6.137 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.783 -5.292 7.107 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.185 -5.343 6.056 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.613 -4.528 4.156 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.426 -4.209 5.405 1.00 1.00 H new ATOM 449 N PRO A 32 9.523 -7.589 6.521 1.00 1.00 N ATOM 450 CA PRO A 32 8.034 -7.666 6.601 1.00 1.00 C ATOM 451 C PRO A 32 7.411 -6.272 6.691 1.00 1.00 C ATOM 452 O PRO A 32 7.949 -5.382 7.347 1.00 1.00 O ATOM 453 CB PRO A 32 7.760 -8.482 7.878 1.00 1.00 C ATOM 454 CG PRO A 32 9.018 -9.249 8.140 1.00 1.00 C ATOM 455 CD PRO A 32 10.168 -8.418 7.563 1.00 1.00 C ATOM 0 HA PRO A 32 7.597 -8.126 5.715 1.00 1.00 H new ATOM 0 HB2 PRO A 32 7.517 -7.829 8.716 1.00 1.00 H new ATOM 0 HB3 PRO A 32 6.912 -9.153 7.740 1.00 1.00 H new ATOM 0 HG2 PRO A 32 9.156 -9.412 9.209 1.00 1.00 H new ATOM 0 HG3 PRO A 32 8.977 -10.232 7.670 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.638 -7.802 8.329 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.947 -9.053 7.142 1.00 1.00 H new ATOM 463 N CYS A 33 6.278 -6.091 6.018 1.00 1.00 N ATOM 464 CA CYS A 33 5.589 -4.804 6.013 1.00 1.00 C ATOM 465 C CYS A 33 4.086 -5.006 5.847 1.00 1.00 C ATOM 466 O CYS A 33 3.603 -6.136 5.808 1.00 1.00 O ATOM 467 CB CYS A 33 6.125 -3.944 4.866 1.00 1.00 C ATOM 468 SG CYS A 33 5.488 -4.574 3.290 1.00 1.00 S ATOM 0 H CYS A 33 5.818 -6.818 5.470 1.00 1.00 H new ATOM 0 HA CYS A 33 5.770 -4.301 6.963 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.823 -2.906 5.004 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.215 -3.961 4.863 1.00 1.00 H new ATOM 0 HG CYS A 33 4.794 -3.646 2.700 1.00 1.00 H new ATOM 474 N ALA A 34 3.351 -3.900 5.749 1.00 1.00 N ATOM 475 CA ALA A 34 1.899 -3.957 5.582 1.00 1.00 C ATOM 476 C ALA A 34 1.417 -2.766 4.765 1.00 1.00 C ATOM 477 O ALA A 34 1.880 -1.641 4.957 1.00 1.00 O ATOM 478 CB ALA A 34 1.212 -3.952 6.949 1.00 1.00 C ATOM 0 H ALA A 34 3.735 -2.956 5.782 1.00 1.00 H new ATOM 0 HA ALA A 34 1.645 -4.877 5.056 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.131 -3.995 6.813 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.540 -4.818 7.524 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.475 -3.040 7.485 1.00 1.00 H new ATOM 484 N LEU A 35 0.479 -3.018 3.853 1.00 1.00 N ATOM 485 CA LEU A 35 -0.069 -1.958 3.006 1.00 1.00 C ATOM 486 C LEU A 35 -1.470 -1.595 3.470 1.00 1.00 C ATOM 487 O LEU A 35 -2.343 -2.456 3.562 1.00 1.00 O ATOM 488 CB LEU A 35 -0.115 -2.430 1.550 1.00 1.00 C ATOM 489 CG LEU A 35 1.282 -2.892 1.111 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.220 -3.393 -0.334 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.280 -1.725 1.211 1.00 1.00 C ATOM 0 H LEU A 35 0.084 -3.943 3.682 1.00 1.00 H new ATOM 0 HA LEU A 35 0.571 -1.079 3.080 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.828 -3.247 1.445 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.460 -1.621 0.906 1.00 1.00 H new ATOM 0 HG LEU A 35 1.614 -3.698 1.765 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.211 -3.722 -0.648 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.523 -4.228 -0.400 1.00 1.00 H new ATOM 0 HD13 LEU A 35 0.882 -2.586 -0.985 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.268 -2.063 0.898 1.00 1.00 H new ATOM 0 HD22 LEU A 35 1.953 -0.910 0.565 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.327 -1.374 2.242 1.00 1.00 H new ATOM 503 N THR A 36 -1.679 -0.312 3.778 1.00 1.00 N ATOM 504 CA THR A 36 -2.982 0.152 4.250 1.00 1.00 C ATOM 505 C THR A 36 -3.460 1.366 3.469 1.00 1.00 C ATOM 506 O THR A 36 -2.888 2.452 3.568 1.00 1.00 O ATOM 507 CB THR A 36 -2.898 0.497 5.739 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.564 -0.671 6.473 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.246 1.037 6.224 1.00 1.00 C ATOM 0 H THR A 36 -0.968 0.416 3.709 1.00 1.00 H new ATOM 0 HA THR A 36 -3.702 -0.652 4.095 1.00 1.00 H new ATOM 0 HB THR A 36 -2.132 1.258 5.891 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.508 -0.453 7.427 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.180 1.281 7.284 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.503 1.934 5.661 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.017 0.281 6.073 1.00 1.00 H new ATOM 517 N LEU A 37 -4.541 1.175 2.722 1.00 1.00 N ATOM 518 CA LEU A 37 -5.129 2.255 1.947 1.00 1.00 C ATOM 519 C LEU A 37 -6.000 3.096 2.863 1.00 1.00 C ATOM 520 O LEU A 37 -6.859 2.566 3.568 1.00 1.00 O ATOM 521 CB LEU A 37 -5.968 1.671 0.801 1.00 1.00 C ATOM 522 CG LEU A 37 -6.672 2.792 0.021 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.642 3.800 -0.509 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.448 2.175 -1.152 1.00 1.00 C ATOM 0 H LEU A 37 -5.026 0.282 2.638 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.345 2.879 1.519 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.328 1.100 0.129 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.709 0.979 1.201 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.360 3.316 0.684 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.155 4.589 -1.060 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.097 4.237 0.328 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -4.942 3.291 -1.172 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.951 2.964 -1.711 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.756 1.649 -1.810 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.189 1.473 -0.769 1.00 1.00 H new ATOM 536 N ALA A 38 -5.769 4.406 2.871 1.00 1.00 N ATOM 537 CA ALA A 38 -6.542 5.300 3.734 1.00 1.00 C ATOM 538 C ALA A 38 -6.947 6.569 2.997 1.00 1.00 C ATOM 539 O ALA A 38 -6.240 7.042 2.111 1.00 1.00 O ATOM 540 CB ALA A 38 -5.717 5.666 4.969 1.00 1.00 C ATOM 0 H ALA A 38 -5.063 4.869 2.299 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.449 4.777 4.036 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.296 6.332 5.609 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.466 4.760 5.520 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -4.800 6.168 4.659 1.00 1.00 H new ATOM 546 N GLN A 39 -8.099 7.118 3.383 1.00 1.00 N ATOM 547 CA GLN A 39 -8.621 8.344 2.779 1.00 1.00 C ATOM 548 C GLN A 39 -8.603 9.465 3.812 1.00 1.00 C ATOM 549 O GLN A 39 -9.209 9.344 4.876 1.00 1.00 O ATOM 550 CB GLN A 39 -10.059 8.105 2.297 1.00 1.00 C ATOM 551 CG GLN A 39 -10.609 9.356 1.607 1.00 1.00 C ATOM 552 CD GLN A 39 -12.068 9.124 1.239 1.00 1.00 C ATOM 553 OE1 GLN A 39 -12.384 8.200 0.489 1.00 1.00 O ATOM 554 NE2 GLN A 39 -12.985 9.901 1.743 1.00 1.00 N ATOM 0 H GLN A 39 -8.692 6.730 4.116 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.000 8.627 1.929 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.082 7.262 1.606 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -10.693 7.841 3.143 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.521 10.219 2.267 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.027 9.578 0.713 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.721 10.666 2.364 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -13.967 9.744 1.516 1.00 1.00 H new ATOM 563 N ARG A 40 -7.904 10.558 3.503 1.00 1.00 N ATOM 564 CA ARG A 40 -7.818 11.688 4.432 1.00 1.00 C ATOM 565 C ARG A 40 -8.018 13.008 3.697 1.00 1.00 C ATOM 566 O ARG A 40 -7.528 13.195 2.586 1.00 1.00 O ATOM 567 CB ARG A 40 -6.459 11.683 5.140 1.00 1.00 C ATOM 568 CG ARG A 40 -6.424 12.802 6.181 1.00 1.00 C ATOM 569 CD ARG A 40 -5.167 12.660 7.043 1.00 1.00 C ATOM 570 NE ARG A 40 -3.968 12.891 6.247 1.00 1.00 N ATOM 571 CZ ARG A 40 -2.757 12.692 6.760 1.00 1.00 C ATOM 572 NH1 ARG A 40 -2.632 12.266 7.986 1.00 1.00 N ATOM 573 NH2 ARG A 40 -1.694 12.921 6.037 1.00 1.00 N ATOM 0 H ARG A 40 -7.395 10.686 2.628 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.609 11.584 5.175 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.291 10.719 5.620 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -5.658 11.822 4.414 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.431 13.773 5.686 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.314 12.758 6.808 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.204 13.371 7.869 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.132 11.663 7.482 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.059 13.210 5.282 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.462 12.086 8.550 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -1.704 12.113 8.381 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -1.792 13.253 5.077 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -0.766 12.768 6.432 1.00 1.00 H new ATOM 587 N ASN A 41 -8.752 13.914 4.338 1.00 1.00 N ATOM 588 CA ASN A 41 -9.037 15.230 3.769 1.00 1.00 C ATOM 589 C ASN A 41 -9.764 15.111 2.431 1.00 1.00 C ATOM 590 O ASN A 41 -9.571 15.936 1.540 1.00 1.00 O ATOM 591 CB ASN A 41 -7.738 16.018 3.576 1.00 1.00 C ATOM 592 CG ASN A 41 -7.150 16.401 4.932 1.00 1.00 C ATOM 593 OD1 ASN A 41 -6.030 16.908 5.000 1.00 1.00 O ATOM 594 ND2 ASN A 41 -7.835 16.178 6.021 1.00 1.00 N ATOM 0 H ASN A 41 -9.163 13.760 5.259 1.00 1.00 H new ATOM 0 HA ASN A 41 -9.684 15.759 4.468 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.020 15.419 3.016 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -7.932 16.915 2.988 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -7.442 16.424 6.930 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -8.763 15.758 5.963 1.00 1.00 H new ATOM 601 N GLY A 42 -10.608 14.090 2.298 1.00 1.00 N ATOM 602 CA GLY A 42 -11.360 13.899 1.059 1.00 1.00 C ATOM 603 C GLY A 42 -10.436 13.497 -0.081 1.00 1.00 C ATOM 604 O GLY A 42 -10.748 13.708 -1.254 1.00 1.00 O ATOM 0 H GLY A 42 -10.787 13.392 3.020 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.120 13.131 1.205 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -11.883 14.820 0.801 1.00 1.00 H new ATOM 608 N GLN A 43 -9.294 12.919 0.275 1.00 1.00 N ATOM 609 CA GLN A 43 -8.302 12.484 -0.704 1.00 1.00 C ATOM 610 C GLN A 43 -7.869 11.056 -0.400 1.00 1.00 C ATOM 611 O GLN A 43 -7.907 10.622 0.745 1.00 1.00 O ATOM 612 CB GLN A 43 -7.094 13.427 -0.644 1.00 1.00 C ATOM 613 CG GLN A 43 -5.938 12.868 -1.472 1.00 1.00 C ATOM 614 CD GLN A 43 -4.828 13.910 -1.574 1.00 1.00 C ATOM 615 OE1 GLN A 43 -5.061 15.090 -1.317 1.00 1.00 O ATOM 616 NE2 GLN A 43 -3.627 13.543 -1.931 1.00 1.00 N ATOM 0 H GLN A 43 -9.030 12.739 1.244 1.00 1.00 H new ATOM 0 HA GLN A 43 -8.734 12.511 -1.704 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.375 14.411 -1.018 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -6.778 13.558 0.391 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.554 11.958 -1.011 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -6.289 12.597 -2.468 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -3.435 12.564 -2.144 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -2.881 14.235 -1.997 1.00 1.00 H new ATOM 625 N TYR A 44 -7.446 10.333 -1.433 1.00 1.00 N ATOM 626 CA TYR A 44 -6.995 8.954 -1.260 1.00 1.00 C ATOM 627 C TYR A 44 -5.483 8.919 -1.075 1.00 1.00 C ATOM 628 O TYR A 44 -4.739 9.513 -1.854 1.00 1.00 O ATOM 629 CB TYR A 44 -7.372 8.120 -2.486 1.00 1.00 C ATOM 630 CG TYR A 44 -8.865 7.887 -2.509 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.722 8.895 -2.967 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.392 6.661 -2.079 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.106 8.679 -2.995 1.00 1.00 C ATOM 634 CE2 TYR A 44 -10.776 6.446 -2.110 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.632 7.455 -2.566 1.00 1.00 C ATOM 636 OH TYR A 44 -12.995 7.242 -2.595 1.00 1.00 O ATOM 0 H TYR A 44 -7.406 10.675 -2.393 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.479 8.538 -0.376 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.061 8.634 -3.396 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.846 7.165 -2.463 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.316 9.839 -3.299 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -8.732 5.883 -1.724 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.767 9.457 -3.348 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.183 5.501 -1.782 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.192 6.341 -2.265 1.00 1.00 H new ATOM 646 N GLU A 45 -5.032 8.212 -0.041 1.00 1.00 N ATOM 647 CA GLU A 45 -3.600 8.094 0.237 1.00 1.00 C ATOM 648 C GLU A 45 -3.274 6.693 0.733 1.00 1.00 C ATOM 649 O GLU A 45 -4.043 6.090 1.481 1.00 1.00 O ATOM 650 CB GLU A 45 -3.167 9.141 1.273 1.00 1.00 C ATOM 651 CG GLU A 45 -3.863 8.891 2.616 1.00 1.00 C ATOM 652 CD GLU A 45 -3.410 9.937 3.631 1.00 1.00 C ATOM 653 OE1 GLU A 45 -2.500 10.684 3.315 1.00 1.00 O ATOM 654 OE2 GLU A 45 -3.978 9.971 4.710 1.00 1.00 O ATOM 0 H GLU A 45 -5.633 7.714 0.616 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.051 8.274 -0.687 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.086 9.104 1.405 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.410 10.140 0.912 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -4.945 8.936 2.490 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.626 7.891 2.979 1.00 1.00 H new ATOM 661 N LEU A 46 -2.123 6.181 0.307 1.00 1.00 N ATOM 662 CA LEU A 46 -1.678 4.843 0.698 1.00 1.00 C ATOM 663 C LEU A 46 -0.577 4.939 1.746 1.00 1.00 C ATOM 664 O LEU A 46 0.443 5.593 1.530 1.00 1.00 O ATOM 665 CB LEU A 46 -1.157 4.102 -0.542 1.00 1.00 C ATOM 666 CG LEU A 46 -0.555 2.742 -0.154 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.583 1.905 0.614 1.00 1.00 C ATOM 668 CD2 LEU A 46 -0.147 1.998 -1.429 1.00 1.00 C ATOM 0 H LEU A 46 -1.478 6.673 -0.311 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.517 4.295 1.126 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.971 3.955 -1.252 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.403 4.709 -1.043 1.00 1.00 H new ATOM 0 HG LEU A 46 0.315 2.903 0.483 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.143 0.945 0.882 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.879 2.434 1.520 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.459 1.740 -0.013 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.282 1.031 -1.165 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -1.024 1.846 -2.058 1.00 1.00 H new ATOM 0 HD23 LEU A 46 0.592 2.586 -1.973 1.00 1.00 H new ATOM 680 N ILE A 47 -0.789 4.279 2.883 1.00 1.00 N ATOM 681 CA ILE A 47 0.193 4.286 3.965 1.00 1.00 C ATOM 682 C ILE A 47 0.950 2.966 3.989 1.00 1.00 C ATOM 683 O ILE A 47 0.349 1.901 4.128 1.00 1.00 O ATOM 684 CB ILE A 47 -0.507 4.472 5.311 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.315 5.770 5.303 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.543 4.539 6.423 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.226 5.810 6.532 1.00 1.00 C ATOM 0 H ILE A 47 -1.629 3.734 3.078 1.00 1.00 H new ATOM 0 HA ILE A 47 0.887 5.109 3.794 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.178 3.631 5.485 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.644 6.629 5.306 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -1.911 5.835 4.393 1.00 1.00 H new ATOM 0 HG21 ILE A 47 0.047 4.672 7.384 1.00 1.00 H new ATOM 0 HG22 ILE A 47 1.118 3.613 6.436 1.00 1.00 H new ATOM 0 HG23 ILE A 47 1.212 5.380 6.241 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -2.803 6.735 6.528 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -2.906 4.958 6.509 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.619 5.765 7.436 1.00 1.00 H new ATOM 699 N ILE A 48 2.273 3.038 3.867 1.00 1.00 N ATOM 700 CA ILE A 48 3.102 1.835 3.890 1.00 1.00 C ATOM 701 C ILE A 48 3.731 1.688 5.269 1.00 1.00 C ATOM 702 O ILE A 48 4.536 2.522 5.685 1.00 1.00 O ATOM 703 CB ILE A 48 4.201 1.934 2.829 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.561 2.101 1.447 1.00 1.00 C ATOM 705 CG2 ILE A 48 5.040 0.658 2.849 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.642 2.432 0.413 1.00 1.00 C ATOM 0 H ILE A 48 2.791 3.909 3.752 1.00 1.00 H new ATOM 0 HA ILE A 48 2.482 0.965 3.674 1.00 1.00 H new ATOM 0 HB ILE A 48 4.838 2.793 3.042 1.00 1.00 H new ATOM 0 HG12 ILE A 48 3.041 1.186 1.163 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.815 2.896 1.475 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.823 0.726 2.094 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.493 0.536 3.833 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.403 -0.200 2.634 1.00 1.00 H new ATOM 0 HD11 ILE A 48 4.183 2.550 -0.568 1.00 1.00 H new ATOM 0 HD12 ILE A 48 5.142 3.359 0.693 1.00 1.00 H new ATOM 0 HD13 ILE A 48 5.371 1.623 0.377 1.00 1.00 H new ATOM 718 N GLN A 49 3.346 0.632 5.981 1.00 1.00 N ATOM 719 CA GLN A 49 3.863 0.389 7.327 1.00 1.00 C ATOM 720 C GLN A 49 4.942 -0.682 7.313 1.00 1.00 C ATOM 721 O GLN A 49 4.769 -1.740 6.715 1.00 1.00 O ATOM 722 CB GLN A 49 2.730 -0.061 8.240 1.00 1.00 C ATOM 723 CG GLN A 49 1.729 1.078 8.396 1.00 1.00 C ATOM 724 CD GLN A 49 0.640 0.675 9.374 1.00 1.00 C ATOM 725 OE1 GLN A 49 -0.170 -0.206 9.084 1.00 1.00 O ATOM 726 NE2 GLN A 49 0.588 1.260 10.535 1.00 1.00 N ATOM 0 H GLN A 49 2.681 -0.067 5.651 1.00 1.00 H new ATOM 0 HA GLN A 49 4.296 1.319 7.695 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.238 -0.939 7.822 1.00 1.00 H new ATOM 0 HB3 GLN A 49 3.125 -0.350 9.214 1.00 1.00 H new ATOM 0 HG2 GLN A 49 2.237 1.974 8.752 1.00 1.00 H new ATOM 0 HG3 GLN A 49 1.290 1.323 7.429 1.00 1.00 H new ATOM 0 HE21 GLN A 49 1.262 1.989 10.769 1.00 1.00 H new ATOM 0 HE22 GLN A 49 -0.127 0.990 11.211 1.00 1.00 H new ATOM 735 N LEU A 50 6.052 -0.402 7.987 1.00 1.00 N ATOM 736 CA LEU A 50 7.167 -1.352 8.066 1.00 1.00 C ATOM 737 C LEU A 50 7.240 -1.943 9.469 1.00 1.00 C ATOM 738 O LEU A 50 7.241 -1.214 10.462 1.00 1.00 O ATOM 739 CB LEU A 50 8.491 -0.643 7.730 1.00 1.00 C ATOM 740 CG LEU A 50 8.710 -0.614 6.211 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.508 0.037 5.517 1.00 1.00 C ATOM 742 CD2 LEU A 50 9.979 0.189 5.907 1.00 1.00 C ATOM 0 H LEU A 50 6.208 0.473 8.488 1.00 1.00 H new ATOM 0 HA LEU A 50 7.002 -2.153 7.345 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.476 0.374 8.121 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.320 -1.159 8.214 1.00 1.00 H new ATOM 0 HG LEU A 50 8.818 -1.633 5.840 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.674 0.052 4.440 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.607 -0.535 5.737 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.387 1.058 5.880 1.00 1.00 H new ATOM 0 HD21 LEU A 50 10.143 0.216 4.830 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.864 1.206 6.282 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.833 -0.283 6.393 1.00 1.00 H new ATOM 754 N HIS A 51 7.304 -3.268 9.547 1.00 1.00 N ATOM 755 CA HIS A 51 7.382 -3.943 10.835 1.00 1.00 C ATOM 756 C HIS A 51 8.810 -3.907 11.364 1.00 1.00 C ATOM 757 O HIS A 51 9.280 -4.862 11.981 1.00 1.00 O ATOM 758 CB HIS A 51 6.924 -5.395 10.694 1.00 1.00 C ATOM 759 CG HIS A 51 5.521 -5.432 10.151 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.481 -4.729 10.739 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.969 -6.090 9.079 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.369 -4.976 10.024 1.00 1.00 C ATOM 763 NE2 HIS A 51 3.611 -5.798 9.001 1.00 1.00 N ATOM 0 H HIS A 51 7.303 -3.891 8.739 1.00 1.00 H new ATOM 0 HA HIS A 51 6.729 -3.426 11.538 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.597 -5.936 10.028 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.963 -5.895 11.662 1.00 1.00 H new ATOM 0 HD1 HIS A 51 4.547 -4.133 11.564 1.00 1.00 H new ATOM 0 HD2 HIS A 51 5.507 -6.735 8.400 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.398 -4.560 10.250 1.00 1.00 H new ATOM 771 N GLU A 52 9.495 -2.796 11.116 1.00 1.00 N ATOM 772 CA GLU A 52 10.871 -2.638 11.564 1.00 1.00 C ATOM 773 C GLU A 52 10.988 -2.996 13.041 1.00 1.00 C ATOM 774 O GLU A 52 10.093 -2.700 13.834 1.00 1.00 O ATOM 775 CB GLU A 52 11.318 -1.191 11.351 1.00 1.00 C ATOM 776 CG GLU A 52 12.833 -1.092 11.508 1.00 1.00 C ATOM 777 CD GLU A 52 13.523 -1.750 10.318 1.00 1.00 C ATOM 778 OE1 GLU A 52 12.825 -2.132 9.393 1.00 1.00 O ATOM 779 OE2 GLU A 52 14.736 -1.863 10.350 1.00 1.00 O ATOM 0 H GLU A 52 9.120 -1.995 10.609 1.00 1.00 H new ATOM 0 HA GLU A 52 11.509 -3.306 10.986 1.00 1.00 H new ATOM 0 HB2 GLU A 52 11.023 -0.851 10.358 1.00 1.00 H new ATOM 0 HB3 GLU A 52 10.825 -0.538 12.071 1.00 1.00 H new ATOM 0 HG2 GLU A 52 13.132 -0.046 11.580 1.00 1.00 H new ATOM 0 HG3 GLU A 52 13.144 -1.577 12.433 1.00 1.00 H new ATOM 786 N LYS A 53 12.093 -3.632 13.404 1.00 1.00 N ATOM 787 CA LYS A 53 12.316 -4.026 14.789 1.00 1.00 C ATOM 788 C LYS A 53 12.386 -2.796 15.688 1.00 1.00 C ATOM 789 O LYS A 53 11.891 -2.809 16.814 1.00 1.00 O ATOM 790 CB LYS A 53 13.619 -4.820 14.902 1.00 1.00 C ATOM 791 CG LYS A 53 13.461 -6.161 14.184 1.00 1.00 C ATOM 792 CD LYS A 53 14.762 -6.960 14.302 1.00 1.00 C ATOM 793 CE LYS A 53 14.580 -8.340 13.667 1.00 1.00 C ATOM 794 NZ LYS A 53 14.307 -8.190 12.209 1.00 1.00 N ATOM 0 H LYS A 53 12.845 -3.885 12.763 1.00 1.00 H new ATOM 0 HA LYS A 53 11.483 -4.651 15.111 1.00 1.00 H new ATOM 0 HB2 LYS A 53 14.441 -4.255 14.463 1.00 1.00 H new ATOM 0 HB3 LYS A 53 13.868 -4.984 15.950 1.00 1.00 H new ATOM 0 HG2 LYS A 53 12.635 -6.724 14.620 1.00 1.00 H new ATOM 0 HG3 LYS A 53 13.216 -5.997 13.135 1.00 1.00 H new ATOM 0 HD2 LYS A 53 15.574 -6.426 13.808 1.00 1.00 H new ATOM 0 HD3 LYS A 53 15.041 -7.066 15.350 1.00 1.00 H new ATOM 0 HE2 LYS A 53 15.476 -8.942 13.819 1.00 1.00 H new ATOM 0 HE3 LYS A 53 13.756 -8.867 14.149 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 14.435 -9.107 11.736 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 13.330 -7.862 12.071 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 14.966 -7.496 11.802 1.00 1.00 H new ATOM 808 N GLU A 54 13.013 -1.739 15.186 1.00 1.00 N ATOM 809 CA GLU A 54 13.150 -0.508 15.959 1.00 1.00 C ATOM 810 C GLU A 54 11.779 0.036 16.335 1.00 1.00 C ATOM 811 O GLU A 54 11.495 0.283 17.506 1.00 1.00 O ATOM 812 CB GLU A 54 13.891 0.546 15.138 1.00 1.00 C ATOM 813 CG GLU A 54 15.270 0.016 14.764 1.00 1.00 C ATOM 814 CD GLU A 54 16.031 1.061 13.955 1.00 1.00 C ATOM 815 OE1 GLU A 54 15.422 1.673 13.094 1.00 1.00 O ATOM 816 OE2 GLU A 54 17.212 1.236 14.208 1.00 1.00 O ATOM 0 H GLU A 54 13.431 -1.707 14.256 1.00 1.00 H new ATOM 0 HA GLU A 54 13.713 -0.734 16.865 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.325 0.787 14.238 1.00 1.00 H new ATOM 0 HB3 GLU A 54 13.986 1.469 15.711 1.00 1.00 H new ATOM 0 HG2 GLU A 54 15.829 -0.235 15.666 1.00 1.00 H new ATOM 0 HG3 GLU A 54 15.171 -0.902 14.185 1.00 1.00 H new ATOM 823 N GLN A 55 10.935 0.216 15.329 1.00 1.00 N ATOM 824 CA GLN A 55 9.587 0.732 15.557 1.00 1.00 C ATOM 825 C GLN A 55 8.772 0.719 14.268 1.00 1.00 C ATOM 826 O GLN A 55 9.318 0.867 13.175 1.00 1.00 O ATOM 827 CB GLN A 55 9.653 2.162 16.101 1.00 1.00 C ATOM 828 CG GLN A 55 10.396 3.060 15.111 1.00 1.00 C ATOM 829 CD GLN A 55 10.504 4.472 15.675 1.00 1.00 C ATOM 830 OE1 GLN A 55 10.278 4.685 16.867 1.00 1.00 O ATOM 831 NE2 GLN A 55 10.838 5.456 14.887 1.00 1.00 N ATOM 0 H GLN A 55 11.154 0.015 14.353 1.00 1.00 H new ATOM 0 HA GLN A 55 9.100 0.086 16.287 1.00 1.00 H new ATOM 0 HB2 GLN A 55 8.646 2.544 16.267 1.00 1.00 H new ATOM 0 HB3 GLN A 55 10.161 2.171 17.066 1.00 1.00 H new ATOM 0 HG2 GLN A 55 11.391 2.659 14.918 1.00 1.00 H new ATOM 0 HG3 GLN A 55 9.869 3.079 14.157 1.00 1.00 H new ATOM 0 HE21 GLN A 55 11.025 5.278 13.900 1.00 1.00 H new ATOM 0 HE22 GLN A 55 10.912 6.403 15.258 1.00 1.00 H new ATOM 840 N HIS A 56 7.460 0.554 14.405 1.00 1.00 N ATOM 841 CA HIS A 56 6.582 0.538 13.241 1.00 1.00 C ATOM 842 C HIS A 56 6.683 1.866 12.503 1.00 1.00 C ATOM 843 O HIS A 56 5.919 2.792 12.766 1.00 1.00 O ATOM 844 CB HIS A 56 5.132 0.305 13.675 1.00 1.00 C ATOM 845 CG HIS A 56 4.971 -1.100 14.192 1.00 1.00 C ATOM 846 ND1 HIS A 56 3.770 -1.564 14.704 1.00 1.00 N ATOM 847 CD2 HIS A 56 5.848 -2.154 14.283 1.00 1.00 C ATOM 848 CE1 HIS A 56 3.952 -2.844 15.075 1.00 1.00 C ATOM 849 NE2 HIS A 56 5.201 -3.254 14.840 1.00 1.00 N ATOM 0 H HIS A 56 6.986 0.431 15.300 1.00 1.00 H new ATOM 0 HA HIS A 56 6.890 -0.272 12.580 1.00 1.00 H new ATOM 0 HB2 HIS A 56 4.856 1.021 14.449 1.00 1.00 H new ATOM 0 HB3 HIS A 56 4.460 0.471 12.833 1.00 1.00 H new ATOM 0 HD2 HIS A 56 6.881 -2.132 13.970 1.00 1.00 H new ATOM 0 HE1 HIS A 56 3.182 -3.464 15.510 1.00 1.00 H new ATOM 0 HE2 HIS A 56 5.596 -4.175 15.028 1.00 1.00 H new ATOM 857 N VAL A 57 7.639 1.953 11.584 1.00 1.00 N ATOM 858 CA VAL A 57 7.838 3.179 10.823 1.00 1.00 C ATOM 859 C VAL A 57 6.649 3.428 9.907 1.00 1.00 C ATOM 860 O VAL A 57 6.181 2.522 9.217 1.00 1.00 O ATOM 861 CB VAL A 57 9.107 3.080 9.985 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.452 4.455 9.410 1.00 1.00 C ATOM 863 CG2 VAL A 57 10.261 2.578 10.855 1.00 1.00 C ATOM 0 H VAL A 57 8.282 1.197 11.350 1.00 1.00 H new ATOM 0 HA VAL A 57 7.933 4.007 11.525 1.00 1.00 H new ATOM 0 HB VAL A 57 8.945 2.379 9.166 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.360 4.382 8.811 1.00 1.00 H new ATOM 0 HG12 VAL A 57 8.631 4.804 8.783 1.00 1.00 H new ATOM 0 HG13 VAL A 57 9.611 5.161 10.225 1.00 1.00 H new ATOM 0 HG21 VAL A 57 11.167 2.508 10.253 1.00 1.00 H new ATOM 0 HG22 VAL A 57 10.425 3.273 11.678 1.00 1.00 H new ATOM 0 HG23 VAL A 57 10.014 1.594 11.254 1.00 1.00 H new ATOM 873 N GLN A 58 6.163 4.662 9.911 1.00 1.00 N ATOM 874 CA GLN A 58 5.017 5.045 9.084 1.00 1.00 C ATOM 875 C GLN A 58 5.452 5.905 7.909 1.00 1.00 C ATOM 876 O GLN A 58 6.143 6.911 8.077 1.00 1.00 O ATOM 877 CB GLN A 58 4.000 5.824 9.920 1.00 1.00 C ATOM 878 CG GLN A 58 3.317 4.878 10.904 1.00 1.00 C ATOM 879 CD GLN A 58 2.354 5.660 11.787 1.00 1.00 C ATOM 880 OE1 GLN A 58 2.618 6.815 12.127 1.00 1.00 O ATOM 881 NE2 GLN A 58 1.243 5.099 12.183 1.00 1.00 N ATOM 0 H GLN A 58 6.543 5.420 10.478 1.00 1.00 H new ATOM 0 HA GLN A 58 4.563 4.130 8.704 1.00 1.00 H new ATOM 0 HB2 GLN A 58 4.498 6.629 10.460 1.00 1.00 H new ATOM 0 HB3 GLN A 58 3.258 6.287 9.270 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.778 4.101 10.361 1.00 1.00 H new ATOM 0 HG3 GLN A 58 4.064 4.377 11.520 1.00 1.00 H new ATOM 0 HE21 GLN A 58 1.026 4.143 11.901 1.00 1.00 H new ATOM 0 HE22 GLN A 58 0.593 5.617 12.774 1.00 1.00 H new ATOM 890 N ASP A 59 5.023 5.505 6.718 1.00 1.00 N ATOM 891 CA ASP A 59 5.340 6.236 5.491 1.00 1.00 C ATOM 892 C ASP A 59 4.051 6.646 4.795 1.00 1.00 C ATOM 893 O ASP A 59 3.257 5.798 4.389 1.00 1.00 O ATOM 894 CB ASP A 59 6.174 5.359 4.556 1.00 1.00 C ATOM 895 CG ASP A 59 7.587 5.205 5.107 1.00 1.00 C ATOM 896 OD1 ASP A 59 7.940 5.961 5.998 1.00 1.00 O ATOM 897 OD2 ASP A 59 8.297 4.335 4.628 1.00 1.00 O ATOM 0 H ASP A 59 4.451 4.673 6.573 1.00 1.00 H new ATOM 0 HA ASP A 59 5.915 7.126 5.746 1.00 1.00 H new ATOM 0 HB2 ASP A 59 5.707 4.380 4.450 1.00 1.00 H new ATOM 0 HB3 ASP A 59 6.209 5.804 3.562 1.00 1.00 H new ATOM 902 N ILE A 60 3.839 7.954 4.667 1.00 1.00 N ATOM 903 CA ILE A 60 2.630 8.464 4.023 1.00 1.00 C ATOM 904 C ILE A 60 2.890 8.717 2.544 1.00 1.00 C ATOM 905 O ILE A 60 3.645 9.617 2.181 1.00 1.00 O ATOM 906 CB ILE A 60 2.208 9.775 4.696 1.00 1.00 C ATOM 907 CG1 ILE A 60 2.324 9.634 6.219 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.764 10.114 4.316 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.536 8.412 6.702 1.00 1.00 C ATOM 0 H ILE A 60 4.482 8.674 4.997 1.00 1.00 H new ATOM 0 HA ILE A 60 1.836 7.725 4.124 1.00 1.00 H new ATOM 0 HB ILE A 60 2.863 10.578 4.358 1.00 1.00 H new ATOM 0 HG12 ILE A 60 3.372 9.535 6.503 1.00 1.00 H new ATOM 0 HG13 ILE A 60 1.946 10.534 6.704 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.470 11.047 4.798 1.00 1.00 H new ATOM 0 HG22 ILE A 60 0.689 10.225 3.234 1.00 1.00 H new ATOM 0 HG23 ILE A 60 0.103 9.312 4.645 1.00 1.00 H new ATOM 0 HD11 ILE A 60 1.628 8.325 7.785 1.00 1.00 H new ATOM 0 HD12 ILE A 60 0.486 8.528 6.435 1.00 1.00 H new ATOM 0 HD13 ILE A 60 1.934 7.513 6.231 1.00 1.00 H new ATOM 921 N ILE A 61 2.255 7.913 1.690 1.00 1.00 N ATOM 922 CA ILE A 61 2.414 8.043 0.240 1.00 1.00 C ATOM 923 C ILE A 61 1.071 8.433 -0.398 1.00 1.00 C ATOM 924 O ILE A 61 0.127 7.649 -0.347 1.00 1.00 O ATOM 925 CB ILE A 61 2.874 6.702 -0.341 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.091 6.183 0.442 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.245 6.881 -1.813 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.204 7.241 0.485 1.00 1.00 C ATOM 0 H ILE A 61 1.625 7.164 1.977 1.00 1.00 H new ATOM 0 HA ILE A 61 3.154 8.814 0.027 1.00 1.00 H new ATOM 0 HB ILE A 61 2.063 5.979 -0.259 1.00 1.00 H new ATOM 0 HG12 ILE A 61 3.792 5.922 1.457 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.467 5.272 -0.023 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.572 5.926 -2.225 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.376 7.236 -2.367 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.052 7.609 -1.899 1.00 1.00 H new ATOM 0 HD11 ILE A 61 6.055 6.852 1.044 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.517 7.481 -0.531 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.831 8.142 0.973 1.00 1.00 H new ATOM 940 N PRO A 62 0.939 9.608 -0.983 1.00 1.00 N ATOM 941 CA PRO A 62 -0.352 10.037 -1.597 1.00 1.00 C ATOM 942 C PRO A 62 -0.623 9.343 -2.932 1.00 1.00 C ATOM 943 O PRO A 62 0.303 8.971 -3.652 1.00 1.00 O ATOM 944 CB PRO A 62 -0.181 11.552 -1.760 1.00 1.00 C ATOM 945 CG PRO A 62 1.288 11.752 -1.951 1.00 1.00 C ATOM 946 CD PRO A 62 1.980 10.648 -1.140 1.00 1.00 C ATOM 0 HA PRO A 62 -1.214 9.771 -0.985 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -0.745 11.924 -2.615 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -0.542 12.088 -0.882 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.556 11.686 -3.006 1.00 1.00 H new ATOM 0 HG3 PRO A 62 1.595 12.739 -1.605 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.855 10.260 -1.661 1.00 1.00 H new ATOM 0 HD3 PRO A 62 2.322 11.018 -0.174 1.00 1.00 H new ATOM 954 N ILE A 63 -1.907 9.174 -3.250 1.00 1.00 N ATOM 955 CA ILE A 63 -2.314 8.524 -4.497 1.00 1.00 C ATOM 956 C ILE A 63 -2.645 9.568 -5.558 1.00 1.00 C ATOM 957 O ILE A 63 -3.550 10.385 -5.381 1.00 1.00 O ATOM 958 CB ILE A 63 -3.532 7.633 -4.240 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.118 6.477 -3.324 1.00 1.00 C ATOM 960 CG2 ILE A 63 -4.056 7.072 -5.564 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.358 5.732 -2.818 1.00 1.00 C ATOM 0 H ILE A 63 -2.683 9.478 -2.662 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.490 7.911 -4.860 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.319 8.220 -3.767 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.468 5.790 -3.865 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.545 6.860 -2.479 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.923 6.439 -5.373 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.344 7.894 -6.219 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.275 6.483 -6.044 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.050 4.913 -2.168 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -4.993 6.420 -2.259 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.914 5.333 -3.666 1.00 1.00 H new ATOM 973 N ASN A 64 -1.899 9.537 -6.657 1.00 1.00 N ATOM 974 CA ASN A 64 -2.110 10.487 -7.741 1.00 1.00 C ATOM 975 C ASN A 64 -1.294 10.083 -8.968 1.00 1.00 C ATOM 976 O ASN A 64 -0.912 8.921 -9.113 1.00 1.00 O ATOM 977 CB ASN A 64 -1.711 11.892 -7.286 1.00 1.00 C ATOM 978 CG ASN A 64 -0.239 11.919 -6.891 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.497 10.974 -7.171 1.00 1.00 O ATOM 980 ND2 ASN A 64 0.235 12.952 -6.250 1.00 1.00 N ATOM 0 H ASN A 64 -1.147 8.868 -6.820 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.166 10.485 -8.009 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -1.893 12.607 -8.088 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.328 12.197 -6.441 1.00 1.00 H new ATOM 0 HD21 ASN A 64 1.218 12.977 -5.980 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -0.378 13.734 -6.019 1.00 1.00 H new ATOM 987 N SER A 65 -1.036 11.044 -9.849 1.00 1.00 N ATOM 988 CA SER A 65 -0.273 10.770 -11.061 1.00 1.00 C ATOM 989 C SER A 65 1.133 10.276 -10.726 1.00 1.00 C ATOM 990 O SER A 65 1.634 9.340 -11.350 1.00 1.00 O ATOM 991 CB SER A 65 -0.179 12.035 -11.915 1.00 1.00 C ATOM 992 OG SER A 65 0.534 11.743 -13.108 1.00 1.00 O ATOM 0 H SER A 65 -1.341 12.012 -9.748 1.00 1.00 H new ATOM 0 HA SER A 65 -0.791 9.989 -11.617 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.177 12.401 -12.155 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.326 12.826 -11.360 1.00 1.00 H new ATOM 0 HG SER A 65 0.595 12.551 -13.659 1.00 1.00 H new ATOM 998 N HIS A 66 1.765 10.911 -9.746 1.00 1.00 N ATOM 999 CA HIS A 66 3.116 10.526 -9.346 1.00 1.00 C ATOM 1000 C HIS A 66 3.130 9.120 -8.750 1.00 1.00 C ATOM 1001 O HIS A 66 4.079 8.362 -8.950 1.00 1.00 O ATOM 1002 CB HIS A 66 3.667 11.523 -8.326 1.00 1.00 C ATOM 1003 CG HIS A 66 3.899 12.850 -8.997 1.00 1.00 C ATOM 1004 ND1 HIS A 66 4.925 13.050 -9.908 1.00 1.00 N ATOM 1005 CD2 HIS A 66 3.247 14.055 -8.897 1.00 1.00 C ATOM 1006 CE1 HIS A 66 4.862 14.329 -10.316 1.00 1.00 C ATOM 1007 NE2 HIS A 66 3.857 14.987 -9.732 1.00 1.00 N ATOM 0 H HIS A 66 1.369 11.688 -9.217 1.00 1.00 H new ATOM 0 HA HIS A 66 3.746 10.532 -10.235 1.00 1.00 H new ATOM 0 HB2 HIS A 66 2.966 11.639 -7.499 1.00 1.00 H new ATOM 0 HB3 HIS A 66 4.599 11.149 -7.903 1.00 1.00 H new ATOM 0 HD2 HIS A 66 2.392 14.250 -8.267 1.00 1.00 H new ATOM 0 HE1 HIS A 66 5.542 14.771 -11.030 1.00 1.00 H new ATOM 0 HE2 HIS A 66 3.593 15.963 -9.869 1.00 1.00 H new ATOM 1015 N PHE A 67 2.072 8.776 -8.018 1.00 1.00 N ATOM 1016 CA PHE A 67 1.968 7.456 -7.394 1.00 1.00 C ATOM 1017 C PHE A 67 1.172 6.511 -8.288 1.00 1.00 C ATOM 1018 O PHE A 67 0.028 6.798 -8.642 1.00 1.00 O ATOM 1019 CB PHE A 67 1.273 7.588 -6.033 1.00 1.00 C ATOM 1020 CG PHE A 67 0.856 6.225 -5.518 1.00 1.00 C ATOM 1021 CD1 PHE A 67 -0.364 5.674 -5.924 1.00 1.00 C ATOM 1022 CD2 PHE A 67 1.686 5.517 -4.644 1.00 1.00 C ATOM 1023 CE1 PHE A 67 -0.757 4.416 -5.455 1.00 1.00 C ATOM 1024 CE2 PHE A 67 1.292 4.257 -4.172 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.071 3.707 -4.578 1.00 1.00 C ATOM 0 H PHE A 67 1.277 9.390 -7.842 1.00 1.00 H new ATOM 0 HA PHE A 67 2.969 7.048 -7.255 1.00 1.00 H new ATOM 0 HB2 PHE A 67 1.945 8.063 -5.319 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.399 8.232 -6.125 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -1.004 6.221 -6.601 1.00 1.00 H new ATOM 0 HD2 PHE A 67 2.630 5.940 -4.333 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -1.699 3.992 -5.770 1.00 1.00 H new ATOM 0 HE2 PHE A 67 1.931 3.710 -3.495 1.00 1.00 H new ATOM 0 HZ PHE A 67 -0.232 2.736 -4.215 1.00 1.00 H new ATOM 1035 N ARG A 68 1.778 5.378 -8.642 1.00 1.00 N ATOM 1036 CA ARG A 68 1.106 4.390 -9.488 1.00 1.00 C ATOM 1037 C ARG A 68 1.415 2.976 -9.018 1.00 1.00 C ATOM 1038 O ARG A 68 2.573 2.560 -8.963 1.00 1.00 O ATOM 1039 CB ARG A 68 1.547 4.563 -10.953 1.00 1.00 C ATOM 1040 CG ARG A 68 0.768 5.714 -11.613 1.00 1.00 C ATOM 1041 CD ARG A 68 -0.595 5.222 -12.121 1.00 1.00 C ATOM 1042 NE ARG A 68 -1.290 6.310 -12.807 1.00 1.00 N ATOM 1043 CZ ARG A 68 -2.619 6.416 -12.784 1.00 1.00 C ATOM 1044 NH1 ARG A 68 -3.342 5.509 -12.185 1.00 1.00 N ATOM 1045 NH2 ARG A 68 -3.199 7.425 -13.373 1.00 1.00 N ATOM 0 H ARG A 68 2.724 5.122 -8.360 1.00 1.00 H new ATOM 0 HA ARG A 68 0.030 4.551 -9.415 1.00 1.00 H new ATOM 0 HB2 ARG A 68 2.617 4.767 -10.996 1.00 1.00 H new ATOM 0 HB3 ARG A 68 1.377 3.637 -11.503 1.00 1.00 H new ATOM 0 HG2 ARG A 68 0.625 6.522 -10.895 1.00 1.00 H new ATOM 0 HG3 ARG A 68 1.345 6.123 -12.442 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -0.458 4.380 -12.800 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -1.197 4.863 -11.286 1.00 1.00 H new ATOM 0 HE ARG A 68 -0.745 7.006 -13.316 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -2.891 4.715 -11.732 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -4.358 5.595 -12.170 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -2.636 8.130 -13.849 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -4.215 7.509 -13.357 1.00 1.00 H new ATOM 1059 N CYS A 69 0.357 2.239 -8.704 1.00 1.00 N ATOM 1060 CA CYS A 69 0.494 0.859 -8.259 1.00 1.00 C ATOM 1061 C CYS A 69 0.502 -0.061 -9.472 1.00 1.00 C ATOM 1062 O CYS A 69 -0.491 -0.149 -10.196 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.679 0.498 -7.341 1.00 1.00 C ATOM 1064 SG CYS A 69 -0.305 -1.024 -6.438 1.00 1.00 S ATOM 0 H CYS A 69 -0.605 2.574 -8.749 1.00 1.00 H new ATOM 0 HA CYS A 69 1.428 0.741 -7.709 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -0.867 1.311 -6.640 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -1.587 0.368 -7.930 1.00 1.00 H new ATOM 0 HG CYS A 69 -1.303 -1.323 -5.660 1.00 1.00 H new ATOM 1070 N VAL A 70 1.629 -0.735 -9.706 1.00 1.00 N ATOM 1071 CA VAL A 70 1.756 -1.638 -10.856 1.00 1.00 C ATOM 1072 C VAL A 70 1.949 -3.074 -10.390 1.00 1.00 C ATOM 1073 O VAL A 70 2.864 -3.372 -9.628 1.00 1.00 O ATOM 1074 CB VAL A 70 2.950 -1.205 -11.716 1.00 1.00 C ATOM 1075 CG1 VAL A 70 2.863 0.302 -11.969 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.268 -1.525 -10.992 1.00 1.00 C ATOM 0 H VAL A 70 2.462 -0.675 -9.121 1.00 1.00 H new ATOM 0 HA VAL A 70 0.842 -1.587 -11.447 1.00 1.00 H new ATOM 0 HB VAL A 70 2.926 -1.745 -12.663 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.709 0.618 -12.580 1.00 1.00 H new ATOM 0 HG12 VAL A 70 1.933 0.530 -12.490 1.00 1.00 H new ATOM 0 HG13 VAL A 70 2.885 0.833 -11.017 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.109 -1.213 -11.612 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.300 -0.991 -10.042 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.331 -2.598 -10.808 1.00 1.00 H new ATOM 1086 N GLN A 71 1.075 -3.960 -10.857 1.00 1.00 N ATOM 1087 CA GLN A 71 1.144 -5.369 -10.485 1.00 1.00 C ATOM 1088 C GLN A 71 2.127 -6.119 -11.378 1.00 1.00 C ATOM 1089 O GLN A 71 2.133 -5.944 -12.597 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.249 -5.994 -10.600 1.00 1.00 C ATOM 1091 CG GLN A 71 -0.224 -7.421 -10.053 1.00 1.00 C ATOM 1092 CD GLN A 71 -1.615 -8.036 -10.161 1.00 1.00 C ATOM 1093 OE1 GLN A 71 -2.153 -8.159 -11.260 1.00 1.00 O ATOM 1094 NE2 GLN A 71 -2.233 -8.426 -9.080 1.00 1.00 N ATOM 0 H GLN A 71 0.312 -3.728 -11.493 1.00 1.00 H new ATOM 0 HA GLN A 71 1.495 -5.443 -9.456 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.973 -5.396 -10.047 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.570 -6.000 -11.642 1.00 1.00 H new ATOM 0 HG2 GLN A 71 0.494 -8.022 -10.610 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.103 -7.417 -9.013 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -1.784 -8.322 -8.170 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -3.165 -8.834 -9.145 1.00 1.00 H new ATOM 1103 N GLU A 72 2.956 -6.953 -10.761 1.00 1.00 N ATOM 1104 CA GLU A 72 3.943 -7.727 -11.500 1.00 1.00 C ATOM 1105 C GLU A 72 4.829 -6.817 -12.340 1.00 1.00 C ATOM 1106 O GLU A 72 5.812 -6.261 -11.849 1.00 1.00 O ATOM 1107 CB GLU A 72 3.241 -8.762 -12.390 1.00 1.00 C ATOM 1108 CG GLU A 72 4.286 -9.639 -13.090 1.00 1.00 C ATOM 1109 CD GLU A 72 3.595 -10.697 -13.944 1.00 1.00 C ATOM 1110 OE1 GLU A 72 2.400 -10.571 -14.155 1.00 1.00 O ATOM 1111 OE2 GLU A 72 4.272 -11.616 -14.376 1.00 1.00 O ATOM 0 H GLU A 72 2.964 -7.110 -9.753 1.00 1.00 H new ATOM 0 HA GLU A 72 4.578 -8.249 -10.784 1.00 1.00 H new ATOM 0 HB2 GLU A 72 2.577 -9.382 -11.788 1.00 1.00 H new ATOM 0 HB3 GLU A 72 2.621 -8.257 -13.131 1.00 1.00 H new ATOM 0 HG2 GLU A 72 4.931 -9.021 -13.714 1.00 1.00 H new ATOM 0 HG3 GLU A 72 4.925 -10.119 -12.349 1.00 1.00 H new ATOM 1229 N ASP A 80 -4.555 -5.236 -12.571 1.00 1.00 N ATOM 1230 CA ASP A 80 -4.156 -5.750 -11.267 1.00 1.00 C ATOM 1231 C ASP A 80 -4.998 -6.963 -10.884 1.00 1.00 C ATOM 1232 O ASP A 80 -4.470 -8.006 -10.500 1.00 1.00 O ATOM 1233 CB ASP A 80 -4.337 -4.664 -10.216 1.00 1.00 C ATOM 1234 CG ASP A 80 -5.780 -4.170 -10.217 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -6.391 -4.191 -11.272 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -6.251 -3.779 -9.162 1.00 1.00 O ATOM 0 HA ASP A 80 -3.109 -6.050 -11.319 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -4.078 -5.053 -9.231 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -3.660 -3.834 -10.419 1.00 1.00 H new ATOM 1241 N ILE A 81 -6.310 -6.807 -10.996 1.00 1.00 N ATOM 1242 CA ILE A 81 -7.240 -7.879 -10.666 1.00 1.00 C ATOM 1243 C ILE A 81 -7.041 -9.056 -11.608 1.00 1.00 C ATOM 1244 O ILE A 81 -7.086 -10.215 -11.193 1.00 1.00 O ATOM 1245 CB ILE A 81 -8.684 -7.372 -10.766 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -8.848 -6.096 -9.923 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -9.648 -8.451 -10.267 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -8.389 -6.335 -8.478 1.00 1.00 C ATOM 0 H ILE A 81 -6.756 -5.946 -11.314 1.00 1.00 H new ATOM 0 HA ILE A 81 -7.047 -8.207 -9.645 1.00 1.00 H new ATOM 0 HB ILE A 81 -8.911 -7.144 -11.807 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -8.268 -5.286 -10.364 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -9.892 -5.781 -9.931 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.672 -8.086 -10.340 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.538 -9.348 -10.877 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -9.421 -8.689 -9.228 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -8.514 -5.419 -7.900 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -8.988 -7.129 -8.033 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -7.339 -6.626 -8.473 1.00 1.00 H new ATOM 1260 N ALA A 82 -6.834 -8.749 -12.884 1.00 1.00 N ATOM 1261 CA ALA A 82 -6.637 -9.784 -13.897 1.00 1.00 C ATOM 1262 C ALA A 82 -5.717 -10.890 -13.383 1.00 1.00 C ATOM 1263 O ALA A 82 -5.668 -11.982 -13.952 1.00 1.00 O ATOM 1264 CB ALA A 82 -6.033 -9.169 -15.161 1.00 1.00 C ATOM 0 H ALA A 82 -6.798 -7.795 -13.243 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.610 -10.220 -14.126 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.889 -9.947 -15.911 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -6.707 -8.407 -15.553 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -5.072 -8.714 -14.921 1.00 1.00 H new ATOM 1270 N SER A 83 -4.992 -10.606 -12.302 1.00 1.00 N ATOM 1271 CA SER A 83 -4.080 -11.583 -11.715 1.00 1.00 C ATOM 1272 C SER A 83 -4.098 -11.471 -10.194 1.00 1.00 C ATOM 1273 O SER A 83 -4.152 -10.373 -9.640 1.00 1.00 O ATOM 1274 CB SER A 83 -2.662 -11.350 -12.235 1.00 1.00 C ATOM 1275 OG SER A 83 -1.780 -12.282 -11.626 1.00 1.00 O ATOM 0 H SER A 83 -5.019 -9.709 -11.817 1.00 1.00 H new ATOM 0 HA SER A 83 -4.406 -12.583 -12.000 1.00 1.00 H new ATOM 0 HB2 SER A 83 -2.637 -11.463 -13.319 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.343 -10.332 -12.013 1.00 1.00 H new ATOM 0 HG SER A 83 -0.870 -12.136 -11.959 1.00 1.00 H new ATOM 1281 N ASN A 84 -4.058 -12.620 -9.526 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.075 -12.659 -8.066 1.00 1.00 C ATOM 1283 C ASN A 84 -3.233 -13.828 -7.566 1.00 1.00 C ATOM 1284 O ASN A 84 -2.537 -14.478 -8.346 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.513 -12.808 -7.572 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.303 -11.538 -7.869 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -7.484 -11.607 -8.207 1.00 1.00 O ATOM 1288 ND2 ASN A 84 -5.721 -10.375 -7.756 1.00 1.00 N ATOM 0 H ASN A 84 -4.014 -13.536 -9.972 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.656 -11.730 -7.679 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -5.986 -13.662 -8.057 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.519 -13.007 -6.500 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -6.245 -9.521 -7.948 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -4.742 -10.320 -7.476 1.00 1.00 H new ATOM 1295 N SER A 85 -3.286 -14.084 -6.261 1.00 1.00 N ATOM 1296 CA SER A 85 -2.508 -15.173 -5.677 1.00 1.00 C ATOM 1297 C SER A 85 -1.048 -14.746 -5.550 1.00 1.00 C ATOM 1298 O SER A 85 -0.253 -14.932 -6.473 1.00 1.00 O ATOM 1299 CB SER A 85 -2.631 -16.435 -6.547 1.00 1.00 C ATOM 1300 OG SER A 85 -2.551 -17.586 -5.717 1.00 1.00 O ATOM 0 H SER A 85 -3.852 -13.559 -5.595 1.00 1.00 H new ATOM 0 HA SER A 85 -2.895 -15.403 -4.684 1.00 1.00 H new ATOM 0 HB2 SER A 85 -3.577 -16.427 -7.088 1.00 1.00 H new ATOM 0 HB3 SER A 85 -1.837 -16.455 -7.294 1.00 1.00 H new ATOM 0 HG SER A 85 -2.631 -18.393 -6.268 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.706 -14.148 -4.414 1.00 1.00 N ATOM 1307 CA GLY A 86 0.657 -13.674 -4.202 1.00 1.00 C ATOM 1308 C GLY A 86 0.970 -12.572 -5.202 1.00 1.00 C ATOM 1309 O GLY A 86 1.627 -12.805 -6.217 1.00 1.00 O ATOM 0 H GLY A 86 -1.344 -13.981 -3.635 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.769 -13.300 -3.185 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.362 -14.497 -4.318 1.00 1.00 H new ATOM 1313 N CYS A 87 0.455 -11.376 -4.926 1.00 1.00 N ATOM 1314 CA CYS A 87 0.637 -10.235 -5.826 1.00 1.00 C ATOM 1315 C CYS A 87 1.841 -9.377 -5.424 1.00 1.00 C ATOM 1316 O CYS A 87 2.012 -9.032 -4.254 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.646 -9.357 -5.823 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.010 -10.244 -5.023 1.00 1.00 S ATOM 0 H CYS A 87 -0.091 -11.170 -4.089 1.00 1.00 H new ATOM 0 HA CYS A 87 0.823 -10.628 -6.825 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.454 -8.421 -5.298 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -0.921 -9.098 -6.846 1.00 1.00 H new ATOM 1323 N LYS A 88 2.642 -9.000 -6.421 1.00 1.00 N ATOM 1324 CA LYS A 88 3.800 -8.136 -6.198 1.00 1.00 C ATOM 1325 C LYS A 88 3.526 -6.781 -6.838 1.00 1.00 C ATOM 1326 O LYS A 88 3.425 -6.682 -8.059 1.00 1.00 O ATOM 1327 CB LYS A 88 5.048 -8.735 -6.843 1.00 1.00 C ATOM 1328 CG LYS A 88 5.459 -10.018 -6.121 1.00 1.00 C ATOM 1329 CD LYS A 88 6.685 -10.600 -6.820 1.00 1.00 C ATOM 1330 CE LYS A 88 7.193 -11.826 -6.059 1.00 1.00 C ATOM 1331 NZ LYS A 88 6.174 -12.911 -6.125 1.00 1.00 N ATOM 0 H LYS A 88 2.509 -9.280 -7.393 1.00 1.00 H new ATOM 0 HA LYS A 88 3.967 -8.035 -5.126 1.00 1.00 H new ATOM 0 HB2 LYS A 88 4.855 -8.948 -7.894 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.864 -8.014 -6.809 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.684 -9.808 -5.075 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.640 -10.737 -6.133 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.432 -10.877 -7.843 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.471 -9.847 -6.878 1.00 1.00 H new ATOM 0 HE2 LYS A 88 8.134 -12.170 -6.489 1.00 1.00 H new ATOM 0 HE3 LYS A 88 7.394 -11.564 -5.020 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 6.598 -13.805 -5.806 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 5.370 -12.670 -5.510 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 5.841 -13.016 -7.105 1.00 1.00 H new ATOM 1345 N ILE A 89 3.397 -5.740 -6.016 1.00 1.00 N ATOM 1346 CA ILE A 89 3.122 -4.394 -6.529 1.00 1.00 C ATOM 1347 C ILE A 89 4.274 -3.456 -6.203 1.00 1.00 C ATOM 1348 O ILE A 89 4.719 -3.378 -5.058 1.00 1.00 O ATOM 1349 CB ILE A 89 1.827 -3.845 -5.913 1.00 1.00 C ATOM 1350 CG1 ILE A 89 1.959 -3.755 -4.367 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.661 -4.769 -6.285 1.00 1.00 C ATOM 1352 CD1 ILE A 89 2.258 -2.311 -3.935 1.00 1.00 C ATOM 0 H ILE A 89 3.477 -5.799 -5.001 1.00 1.00 H new ATOM 0 HA ILE A 89 3.008 -4.457 -7.611 1.00 1.00 H new ATOM 0 HB ILE A 89 1.641 -2.844 -6.302 1.00 1.00 H new ATOM 0 HG12 ILE A 89 1.037 -4.098 -3.897 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.756 -4.415 -4.025 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -0.261 -4.384 -5.850 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.561 -4.810 -7.370 1.00 1.00 H new ATOM 0 HG23 ILE A 89 0.853 -5.770 -5.900 1.00 1.00 H new ATOM 0 HD11 ILE A 89 2.347 -2.267 -2.850 1.00 1.00 H new ATOM 0 HD12 ILE A 89 3.192 -1.981 -4.389 1.00 1.00 H new ATOM 0 HD13 ILE A 89 1.447 -1.659 -4.259 1.00 1.00 H new ATOM 1364 N ARG A 90 4.754 -2.740 -7.221 1.00 1.00 N ATOM 1365 CA ARG A 90 5.858 -1.798 -7.038 1.00 1.00 C ATOM 1366 C ARG A 90 5.323 -0.377 -6.974 1.00 1.00 C ATOM 1367 O ARG A 90 4.378 -0.027 -7.683 1.00 1.00 O ATOM 1368 CB ARG A 90 6.865 -1.916 -8.190 1.00 1.00 C ATOM 1369 CG ARG A 90 7.429 -3.355 -8.264 1.00 1.00 C ATOM 1370 CD ARG A 90 6.619 -4.189 -9.265 1.00 1.00 C ATOM 1371 NE ARG A 90 7.083 -5.576 -9.268 1.00 1.00 N ATOM 1372 CZ ARG A 90 8.085 -5.968 -10.052 1.00 1.00 C ATOM 1373 NH1 ARG A 90 8.706 -5.099 -10.800 1.00 1.00 N ATOM 1374 NH2 ARG A 90 8.450 -7.223 -10.071 1.00 1.00 N ATOM 0 H ARG A 90 4.398 -2.794 -8.175 1.00 1.00 H new ATOM 0 HA ARG A 90 6.364 -2.038 -6.103 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.382 -1.658 -9.132 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.679 -1.206 -8.045 1.00 1.00 H new ATOM 0 HG2 ARG A 90 8.476 -3.328 -8.565 1.00 1.00 H new ATOM 0 HG3 ARG A 90 7.392 -3.819 -7.278 1.00 1.00 H new ATOM 0 HD2 ARG A 90 5.561 -4.154 -9.005 1.00 1.00 H new ATOM 0 HD3 ARG A 90 6.716 -3.764 -10.264 1.00 1.00 H new ATOM 0 HE ARG A 90 6.630 -6.256 -8.658 1.00 1.00 H new ATOM 0 HH11 ARG A 90 8.424 -4.119 -10.784 1.00 1.00 H new ATOM 0 HH12 ARG A 90 9.474 -5.399 -11.401 1.00 1.00 H new ATOM 0 HH21 ARG A 90 7.967 -7.904 -9.485 1.00 1.00 H new ATOM 0 HH22 ARG A 90 9.218 -7.522 -10.672 1.00 1.00 H new ATOM 1388 N VAL A 91 5.924 0.439 -6.112 1.00 1.00 N ATOM 1389 CA VAL A 91 5.496 1.830 -5.942 1.00 1.00 C ATOM 1390 C VAL A 91 6.627 2.788 -6.292 1.00 1.00 C ATOM 1391 O VAL A 91 7.765 2.611 -5.855 1.00 1.00 O ATOM 1392 CB VAL A 91 5.069 2.061 -4.492 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.557 3.494 -4.320 1.00 1.00 C ATOM 1394 CG2 VAL A 91 3.958 1.071 -4.129 1.00 1.00 C ATOM 0 H VAL A 91 6.708 0.164 -5.520 1.00 1.00 H new ATOM 0 HA VAL A 91 4.657 2.018 -6.611 1.00 1.00 H new ATOM 0 HB VAL A 91 5.925 1.909 -3.835 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.255 3.651 -3.285 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.350 4.197 -4.577 1.00 1.00 H new ATOM 0 HG13 VAL A 91 3.702 3.656 -4.976 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.650 1.232 -3.096 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.105 1.224 -4.790 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.327 0.052 -4.243 1.00 1.00 H new ATOM 1404 N GLN A 92 6.300 3.812 -7.074 1.00 1.00 N ATOM 1405 CA GLN A 92 7.282 4.816 -7.478 1.00 1.00 C ATOM 1406 C GLN A 92 6.634 6.194 -7.528 1.00 1.00 C ATOM 1407 O GLN A 92 5.482 6.334 -7.941 1.00 1.00 O ATOM 1408 CB GLN A 92 7.854 4.459 -8.850 1.00 1.00 C ATOM 1409 CG GLN A 92 6.727 4.422 -9.884 1.00 1.00 C ATOM 1410 CD GLN A 92 7.269 3.949 -11.228 1.00 1.00 C ATOM 1411 OE1 GLN A 92 8.358 3.380 -11.292 1.00 1.00 O ATOM 1412 NE2 GLN A 92 6.571 4.152 -12.311 1.00 1.00 N ATOM 0 H GLN A 92 5.362 3.970 -7.442 1.00 1.00 H new ATOM 0 HA GLN A 92 8.090 4.834 -6.747 1.00 1.00 H new ATOM 0 HB2 GLN A 92 8.606 5.192 -9.143 1.00 1.00 H new ATOM 0 HB3 GLN A 92 8.353 3.491 -8.806 1.00 1.00 H new ATOM 0 HG2 GLN A 92 5.934 3.754 -9.547 1.00 1.00 H new ATOM 0 HG3 GLN A 92 6.286 5.413 -9.989 1.00 1.00 H new ATOM 0 HE21 GLN A 92 5.668 4.624 -12.255 1.00 1.00 H new ATOM 0 HE22 GLN A 92 6.928 3.839 -13.214 1.00 1.00 H new ATOM 1421 N GLY A 93 7.377 7.208 -7.102 1.00 1.00 N ATOM 1422 CA GLY A 93 6.859 8.571 -7.098 1.00 1.00 C ATOM 1423 C GLY A 93 7.862 9.530 -6.466 1.00 1.00 C ATOM 1424 O GLY A 93 9.025 9.187 -6.267 1.00 1.00 O ATOM 0 H GLY A 93 8.332 7.114 -6.757 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.642 8.885 -8.119 1.00 1.00 H new ATOM 0 HA3 GLY A 93 5.919 8.606 -6.547 1.00 1.00 H new ATOM 1483 N ARG A 97 11.882 6.613 -4.798 1.00 1.00 N ATOM 1484 CA ARG A 97 12.331 6.322 -6.154 1.00 1.00 C ATOM 1485 C ARG A 97 11.726 5.015 -6.662 1.00 1.00 C ATOM 1486 O ARG A 97 11.193 4.967 -7.770 1.00 1.00 O ATOM 1487 CB ARG A 97 13.866 6.258 -6.199 1.00 1.00 C ATOM 1488 CG ARG A 97 14.389 5.122 -5.310 1.00 1.00 C ATOM 1489 CD ARG A 97 15.914 5.203 -5.241 1.00 1.00 C ATOM 1490 NE ARG A 97 16.443 4.162 -4.362 1.00 1.00 N ATOM 1491 CZ ARG A 97 16.710 2.940 -4.814 1.00 1.00 C ATOM 1492 NH1 ARG A 97 16.443 2.630 -6.053 1.00 1.00 N ATOM 1493 NH2 ARG A 97 17.234 2.048 -4.017 1.00 1.00 N ATOM 0 HA ARG A 97 11.992 7.125 -6.808 1.00 1.00 H new ATOM 0 HB2 ARG A 97 14.198 6.105 -7.226 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.284 7.208 -5.867 1.00 1.00 H new ATOM 0 HG2 ARG A 97 13.963 5.200 -4.310 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.081 4.157 -5.713 1.00 1.00 H new ATOM 0 HD2 ARG A 97 16.335 5.092 -6.240 1.00 1.00 H new ATOM 0 HD3 ARG A 97 16.216 6.184 -4.875 1.00 1.00 H new ATOM 0 HE ARG A 97 16.611 4.378 -3.379 1.00 1.00 H new ATOM 0 HH11 ARG A 97 16.030 3.325 -6.675 1.00 1.00 H new ATOM 0 HH12 ARG A 97 16.648 1.693 -6.400 1.00 1.00 H new ATOM 0 HH21 ARG A 97 17.439 2.288 -3.047 1.00 1.00 H new ATOM 0 HH22 ARG A 97 17.438 1.111 -4.364 1.00 1.00 H new ATOM 1507 N GLU A 98 11.801 3.967 -5.846 1.00 1.00 N ATOM 1508 CA GLU A 98 11.254 2.668 -6.223 1.00 1.00 C ATOM 1509 C GLU A 98 11.406 1.671 -5.081 1.00 1.00 C ATOM 1510 O GLU A 98 12.500 1.480 -4.550 1.00 1.00 O ATOM 1511 CB GLU A 98 11.974 2.122 -7.465 1.00 1.00 C ATOM 1512 CG GLU A 98 11.347 0.789 -7.886 1.00 1.00 C ATOM 1513 CD GLU A 98 11.998 0.290 -9.171 1.00 1.00 C ATOM 1514 OE1 GLU A 98 13.015 0.844 -9.552 1.00 1.00 O ATOM 1515 OE2 GLU A 98 11.470 -0.642 -9.755 1.00 1.00 O ATOM 0 H GLU A 98 12.234 3.992 -4.923 1.00 1.00 H new ATOM 0 HA GLU A 98 10.196 2.802 -6.447 1.00 1.00 H new ATOM 0 HB2 GLU A 98 11.905 2.841 -8.282 1.00 1.00 H new ATOM 0 HB3 GLU A 98 13.034 1.984 -7.251 1.00 1.00 H new ATOM 0 HG2 GLU A 98 11.474 0.051 -7.094 1.00 1.00 H new ATOM 0 HG3 GLU A 98 10.275 0.913 -8.036 1.00 1.00 H new ATOM 1522 N ARG A 99 10.302 1.022 -4.724 1.00 1.00 N ATOM 1523 CA ARG A 99 10.307 0.018 -3.662 1.00 1.00 C ATOM 1524 C ARG A 99 9.394 -1.137 -4.066 1.00 1.00 C ATOM 1525 O ARG A 99 8.376 -0.925 -4.725 1.00 1.00 O ATOM 1526 CB ARG A 99 9.823 0.629 -2.343 1.00 1.00 C ATOM 1527 CG ARG A 99 10.840 1.664 -1.843 1.00 1.00 C ATOM 1528 CD ARG A 99 10.356 2.252 -0.515 1.00 1.00 C ATOM 1529 NE ARG A 99 11.295 3.258 -0.027 1.00 1.00 N ATOM 1530 CZ ARG A 99 11.084 3.891 1.124 1.00 1.00 C ATOM 1531 NH1 ARG A 99 10.024 3.614 1.834 1.00 1.00 N ATOM 1532 NH2 ARG A 99 11.934 4.788 1.543 1.00 1.00 N ATOM 0 H ARG A 99 9.390 1.173 -5.155 1.00 1.00 H new ATOM 0 HA ARG A 99 11.324 -0.347 -3.517 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.851 1.101 -2.486 1.00 1.00 H new ATOM 0 HB3 ARG A 99 9.691 -0.154 -1.596 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.816 1.197 -1.712 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.962 2.456 -2.581 1.00 1.00 H new ATOM 0 HD2 ARG A 99 9.371 2.699 -0.647 1.00 1.00 H new ATOM 0 HD3 ARG A 99 10.249 1.457 0.224 1.00 1.00 H new ATOM 0 HE ARG A 99 12.125 3.479 -0.577 1.00 1.00 H new ATOM 0 HH11 ARG A 99 9.359 2.913 1.506 1.00 1.00 H new ATOM 0 HH12 ARG A 99 9.861 4.098 2.717 1.00 1.00 H new ATOM 0 HH21 ARG A 99 12.762 5.005 0.988 1.00 1.00 H new ATOM 0 HH22 ARG A 99 11.771 5.272 2.426 1.00 1.00 H new ATOM 1546 N ARG A 100 9.763 -2.359 -3.686 1.00 1.00 N ATOM 1547 CA ARG A 100 8.965 -3.541 -4.034 1.00 1.00 C ATOM 1548 C ARG A 100 8.169 -4.042 -2.832 1.00 1.00 C ATOM 1549 O ARG A 100 8.611 -3.929 -1.689 1.00 1.00 O ATOM 1550 CB ARG A 100 9.883 -4.650 -4.546 1.00 1.00 C ATOM 1551 CG ARG A 100 10.412 -4.271 -5.930 1.00 1.00 C ATOM 1552 CD ARG A 100 11.365 -5.358 -6.424 1.00 1.00 C ATOM 1553 NE ARG A 100 11.749 -5.100 -7.809 1.00 1.00 N ATOM 1554 CZ ARG A 100 12.738 -5.774 -8.385 1.00 1.00 C ATOM 1555 NH1 ARG A 100 13.478 -6.583 -7.674 1.00 1.00 N ATOM 1556 NH2 ARG A 100 12.985 -5.610 -9.657 1.00 1.00 N ATOM 0 H ARG A 100 10.602 -2.559 -3.141 1.00 1.00 H new ATOM 0 HA ARG A 100 8.259 -3.259 -4.815 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.713 -4.798 -3.855 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.339 -5.593 -4.598 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.583 -4.153 -6.628 1.00 1.00 H new ATOM 0 HG3 ARG A 100 10.929 -3.312 -5.884 1.00 1.00 H new ATOM 0 HD2 ARG A 100 12.253 -5.388 -5.792 1.00 1.00 H new ATOM 0 HD3 ARG A 100 10.886 -6.334 -6.347 1.00 1.00 H new ATOM 0 HE ARG A 100 11.249 -4.390 -8.344 1.00 1.00 H new ATOM 0 HH11 ARG A 100 13.296 -6.697 -6.677 1.00 1.00 H new ATOM 0 HH12 ARG A 100 14.238 -7.101 -8.116 1.00 1.00 H new ATOM 0 HH21 ARG A 100 12.419 -4.965 -10.207 1.00 1.00 H new ATOM 0 HH22 ARG A 100 13.744 -6.127 -10.100 1.00 1.00 H new ATOM 1570 N PHE A 101 6.983 -4.595 -3.104 1.00 1.00 N ATOM 1571 CA PHE A 101 6.113 -5.112 -2.048 1.00 1.00 C ATOM 1572 C PHE A 101 5.445 -6.406 -2.506 1.00 1.00 C ATOM 1573 O PHE A 101 5.242 -6.616 -3.702 1.00 1.00 O ATOM 1574 CB PHE A 101 5.038 -4.080 -1.701 1.00 1.00 C ATOM 1575 CG PHE A 101 5.679 -2.809 -1.194 1.00 1.00 C ATOM 1576 CD1 PHE A 101 6.047 -2.699 0.153 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.898 -1.738 -2.068 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.634 -1.518 0.623 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.484 -0.557 -1.599 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.852 -0.447 -0.252 1.00 1.00 C ATOM 0 H PHE A 101 6.605 -4.695 -4.046 1.00 1.00 H new ATOM 0 HA PHE A 101 6.719 -5.312 -1.164 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.433 -3.864 -2.582 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.366 -4.484 -0.944 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.878 -3.525 0.829 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.614 -1.823 -3.107 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.919 -1.433 1.661 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.652 0.269 -2.275 1.00 1.00 H new ATOM 0 HZ PHE A 101 7.304 0.464 0.112 1.00 1.00 H new ATOM 1590 N GLU A 102 5.106 -7.272 -1.551 1.00 1.00 N ATOM 1591 CA GLU A 102 4.463 -8.549 -1.870 1.00 1.00 C ATOM 1592 C GLU A 102 3.341 -8.853 -0.882 1.00 1.00 C ATOM 1593 O GLU A 102 3.438 -8.539 0.300 1.00 1.00 O ATOM 1594 CB GLU A 102 5.506 -9.669 -1.834 1.00 1.00 C ATOM 1595 CG GLU A 102 4.861 -11.000 -2.236 1.00 1.00 C ATOM 1596 CD GLU A 102 5.912 -12.106 -2.246 1.00 1.00 C ATOM 1597 OE1 GLU A 102 7.087 -11.782 -2.217 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.524 -13.264 -2.281 1.00 1.00 O ATOM 0 H GLU A 102 5.264 -7.115 -0.556 1.00 1.00 H new ATOM 0 HA GLU A 102 4.031 -8.483 -2.868 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.327 -9.434 -2.511 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.931 -9.749 -0.834 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.062 -11.252 -1.538 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.406 -10.910 -3.222 1.00 1.00 H new ATOM 1605 N ILE A 103 2.272 -9.476 -1.384 1.00 1.00 N ATOM 1606 CA ILE A 103 1.121 -9.837 -0.554 1.00 1.00 C ATOM 1607 C ILE A 103 0.810 -11.329 -0.737 1.00 1.00 C ATOM 1608 O ILE A 103 0.050 -11.688 -1.635 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.104 -9.014 -0.973 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.224 -7.503 -0.933 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.276 -9.329 -0.034 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.090 -6.938 0.490 1.00 1.00 C ATOM 0 H ILE A 103 2.180 -9.741 -2.365 1.00 1.00 H new ATOM 0 HA ILE A 103 1.355 -9.631 0.490 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.381 -9.278 -1.994 1.00 1.00 H new ATOM 0 HG12 ILE A 103 1.238 -7.339 -1.297 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -0.446 -6.966 -1.604 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.147 -8.745 -0.331 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.514 -10.391 -0.093 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -1.000 -9.075 0.990 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.327 -5.874 0.483 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -0.932 -7.080 0.843 1.00 1.00 H new ATOM 0 HD13 ILE A 103 0.779 -7.459 1.155 1.00 1.00 H new ATOM 1624 N PRO A 104 1.392 -12.209 0.059 1.00 1.00 N ATOM 1625 CA PRO A 104 1.160 -13.680 -0.091 1.00 1.00 C ATOM 1626 C PRO A 104 -0.268 -14.088 0.257 1.00 1.00 C ATOM 1627 O PRO A 104 -0.715 -15.178 -0.102 1.00 1.00 O ATOM 1628 CB PRO A 104 2.188 -14.321 0.857 1.00 1.00 C ATOM 1629 CG PRO A 104 2.487 -13.272 1.879 1.00 1.00 C ATOM 1630 CD PRO A 104 2.316 -11.921 1.177 1.00 1.00 C ATOM 0 HA PRO A 104 1.283 -14.006 -1.124 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.786 -15.221 1.323 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.089 -14.615 0.319 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.811 -13.355 2.730 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.500 -13.384 2.265 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.904 -11.171 1.852 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.270 -11.536 0.817 1.00 1.00 H new ATOM 1638 N ASP A 105 -0.986 -13.209 0.944 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.367 -13.495 1.320 1.00 1.00 C ATOM 1640 C ASP A 105 -3.298 -13.070 0.192 1.00 1.00 C ATOM 1641 O ASP A 105 -3.582 -11.889 0.021 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.717 -12.748 2.607 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.021 -13.402 3.795 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.557 -14.521 3.645 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -1.960 -12.775 4.840 1.00 1.00 O ATOM 0 H ASP A 105 -0.640 -12.300 1.251 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.485 -14.565 1.494 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.412 -11.705 2.526 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.796 -12.754 2.759 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.740 -14.048 -0.589 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.611 -13.785 -1.731 1.00 1.00 C ATOM 1652 C GLU A 106 -5.897 -13.072 -1.320 1.00 1.00 C ATOM 1653 O GLU A 106 -6.218 -12.017 -1.859 1.00 1.00 O ATOM 1654 CB GLU A 106 -4.961 -15.108 -2.417 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.763 -14.837 -3.693 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.056 -16.151 -4.409 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.864 -17.190 -3.800 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.472 -16.099 -5.555 1.00 1.00 O ATOM 0 H GLU A 106 -3.510 -15.032 -0.453 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.073 -13.130 -2.416 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.049 -15.654 -2.659 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.539 -15.737 -1.740 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.696 -14.331 -3.446 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.204 -14.171 -4.350 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.636 -13.649 -0.379 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.890 -13.042 0.053 1.00 1.00 C ATOM 1667 C GLU A 107 -7.681 -11.578 0.430 1.00 1.00 C ATOM 1668 O GLU A 107 -8.469 -10.714 0.048 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.476 -13.819 1.239 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.481 -13.847 2.400 1.00 1.00 C ATOM 1671 CD GLU A 107 -7.999 -14.764 3.504 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -7.996 -15.967 3.296 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -8.393 -14.251 4.537 1.00 1.00 O ATOM 0 H GLU A 107 -6.395 -14.521 0.092 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.595 -13.084 -0.777 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.408 -13.355 1.561 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.716 -14.837 0.932 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.510 -14.197 2.050 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.335 -12.840 2.790 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.612 -11.304 1.163 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.305 -9.938 1.565 1.00 1.00 C ATOM 1682 C HIS A 108 -5.903 -9.102 0.350 1.00 1.00 C ATOM 1683 O HIS A 108 -6.276 -7.935 0.234 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.163 -9.941 2.581 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.641 -10.460 3.915 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -4.770 -10.663 4.974 1.00 1.00 N ATOM 1687 CD2 HIS A 108 -6.884 -10.820 4.382 1.00 1.00 C ATOM 1688 CE1 HIS A 108 -5.490 -11.120 6.013 1.00 1.00 C ATOM 1689 NE2 HIS A 108 -6.784 -11.235 5.707 1.00 1.00 N ATOM 0 H HIS A 108 -5.946 -12.004 1.490 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.195 -9.501 2.017 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.345 -10.562 2.215 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.770 -8.931 2.697 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -7.798 -10.786 3.808 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -5.072 -11.364 6.978 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -7.538 -11.558 6.314 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.137 -9.711 -0.550 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.673 -9.019 -1.747 1.00 1.00 C ATOM 1699 C CYS A 109 -5.846 -8.501 -2.571 1.00 1.00 C ATOM 1700 O CYS A 109 -5.771 -7.431 -3.165 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.804 -9.968 -2.593 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.572 -9.016 -3.515 1.00 1.00 S ATOM 0 H CYS A 109 -4.825 -10.679 -0.473 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.075 -8.161 -1.439 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.308 -10.693 -1.948 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.432 -10.532 -3.283 1.00 1.00 H new ATOM 1707 N LEU A 110 -6.923 -9.264 -2.618 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.081 -8.853 -3.396 1.00 1.00 C ATOM 1709 C LEU A 110 -8.684 -7.573 -2.856 1.00 1.00 C ATOM 1710 O LEU A 110 -9.030 -6.671 -3.620 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.147 -9.941 -3.350 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.628 -11.218 -4.018 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.678 -12.324 -3.859 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.363 -10.960 -5.513 1.00 1.00 C ATOM 0 H LEU A 110 -7.022 -10.157 -2.136 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.746 -8.685 -4.420 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.421 -10.148 -2.316 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.049 -9.598 -3.856 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.695 -11.525 -3.546 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.318 -13.238 -4.331 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -9.855 -12.508 -2.799 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.609 -12.013 -4.333 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -7.994 -11.873 -5.980 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.289 -10.652 -5.999 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.618 -10.172 -5.620 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.830 -7.496 -1.547 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.415 -6.313 -0.956 1.00 1.00 C ATOM 1728 C LYS A 111 -8.504 -5.107 -1.159 1.00 1.00 C ATOM 1729 O LYS A 111 -8.959 -4.018 -1.505 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.649 -6.524 0.541 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.731 -7.581 0.751 1.00 1.00 C ATOM 1732 CD LYS A 111 -10.907 -7.832 2.250 1.00 1.00 C ATOM 1733 CE LYS A 111 -11.910 -8.967 2.459 1.00 1.00 C ATOM 1734 NZ LYS A 111 -13.265 -8.516 2.040 1.00 1.00 N ATOM 0 H LYS A 111 -8.557 -8.223 -0.886 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.370 -6.127 -1.447 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.723 -6.838 1.023 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -9.949 -5.586 1.007 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.672 -7.247 0.313 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.455 -8.506 0.245 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -9.949 -8.090 2.702 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.258 -6.926 2.743 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -11.611 -9.841 1.881 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -11.923 -9.267 3.507 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -13.979 -9.184 2.395 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -13.452 -7.570 2.430 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -13.313 -8.478 1.002 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.212 -5.317 -0.924 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.230 -4.250 -1.060 1.00 1.00 C ATOM 1750 C PHE A 112 -6.161 -3.724 -2.495 1.00 1.00 C ATOM 1751 O PHE A 112 -6.235 -2.516 -2.718 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.861 -4.776 -0.603 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.762 -3.786 -0.925 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.841 -2.465 -0.467 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.650 -4.195 -1.675 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.817 -1.559 -0.763 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.630 -3.289 -1.969 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.712 -1.973 -1.514 1.00 1.00 C ATOM 0 H PHE A 112 -6.823 -6.216 -0.639 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.531 -3.411 -0.432 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.881 -4.966 0.470 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.652 -5.728 -1.091 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.693 -2.146 0.115 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -2.583 -5.214 -2.026 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.880 -0.540 -0.412 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -0.776 -3.607 -2.549 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.922 -1.273 -1.742 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.026 -4.623 -3.466 1.00 1.00 N ATOM 1769 CA LEU A 113 -5.958 -4.214 -4.859 1.00 1.00 C ATOM 1770 C LEU A 113 -7.279 -3.592 -5.316 1.00 1.00 C ATOM 1771 O LEU A 113 -7.285 -2.599 -6.044 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.597 -5.433 -5.725 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.073 -5.592 -5.813 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -3.430 -5.526 -4.423 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.745 -6.933 -6.478 1.00 1.00 C ATOM 0 H LEU A 113 -5.962 -5.629 -3.313 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.187 -3.452 -4.970 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.039 -6.334 -5.299 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -6.015 -5.314 -6.725 1.00 1.00 H new ATOM 0 HG LEU A 113 -3.669 -4.773 -6.409 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -2.350 -5.642 -4.516 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -3.654 -4.563 -3.964 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -3.828 -6.326 -3.800 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.663 -7.052 -6.543 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -4.164 -7.746 -5.885 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -4.174 -6.957 -7.480 1.00 1.00 H new ATOM 1787 N SER A 114 -8.394 -4.179 -4.894 1.00 1.00 N ATOM 1788 CA SER A 114 -9.703 -3.667 -5.281 1.00 1.00 C ATOM 1789 C SER A 114 -9.906 -2.240 -4.777 1.00 1.00 C ATOM 1790 O SER A 114 -10.406 -1.381 -5.505 1.00 1.00 O ATOM 1791 CB SER A 114 -10.802 -4.568 -4.717 1.00 1.00 C ATOM 1792 OG SER A 114 -10.655 -5.878 -5.253 1.00 1.00 O ATOM 0 H SER A 114 -8.418 -5.001 -4.290 1.00 1.00 H new ATOM 0 HA SER A 114 -9.755 -3.660 -6.370 1.00 1.00 H new ATOM 0 HB2 SER A 114 -10.741 -4.598 -3.629 1.00 1.00 H new ATOM 0 HB3 SER A 114 -11.783 -4.167 -4.970 1.00 1.00 H new ATOM 0 HG SER A 114 -10.343 -6.486 -4.550 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.523 -1.996 -3.528 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.677 -0.670 -2.939 1.00 1.00 C ATOM 1800 C ALA A 115 -8.736 0.341 -3.600 1.00 1.00 C ATOM 1801 O ALA A 115 -9.132 1.471 -3.886 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.405 -0.739 -1.429 1.00 1.00 C ATOM 0 H ALA A 115 -9.107 -2.692 -2.909 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.701 -0.335 -3.108 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.521 0.253 -0.993 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -10.112 -1.425 -0.963 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.389 -1.094 -1.258 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.493 -0.069 -3.836 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.508 0.815 -4.460 1.00 1.00 C ATOM 1810 C VAL A 116 -6.916 1.161 -5.890 1.00 1.00 C ATOM 1811 O VAL A 116 -6.838 2.319 -6.303 1.00 1.00 O ATOM 1812 CB VAL A 116 -5.130 0.145 -4.458 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -4.138 0.981 -5.276 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.625 0.035 -3.020 1.00 1.00 C ATOM 0 H VAL A 116 -7.144 -1.000 -3.607 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.461 1.739 -3.883 1.00 1.00 H new ATOM 0 HB VAL A 116 -5.215 -0.847 -4.901 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -3.161 0.497 -5.269 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.494 1.065 -6.303 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -4.053 1.976 -4.838 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.645 -0.441 -3.014 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.547 1.031 -2.585 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.323 -0.564 -2.434 1.00 1.00 H new ATOM 1824 N LEU A 117 -7.344 0.156 -6.645 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.751 0.378 -8.027 1.00 1.00 C ATOM 1826 C LEU A 117 -8.926 1.342 -8.082 1.00 1.00 C ATOM 1827 O LEU A 117 -8.944 2.276 -8.883 1.00 1.00 O ATOM 1828 CB LEU A 117 -8.149 -0.957 -8.666 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.720 -0.731 -10.075 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -7.708 0.032 -10.938 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -9.017 -2.090 -10.709 1.00 1.00 C ATOM 0 H LEU A 117 -7.418 -0.811 -6.328 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.915 0.810 -8.577 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -7.281 -1.614 -8.720 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.890 -1.458 -8.043 1.00 1.00 H new ATOM 0 HG LEU A 117 -9.635 -0.143 -10.009 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -8.123 0.187 -11.934 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -7.494 0.998 -10.480 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -6.787 -0.545 -11.014 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -9.423 -1.944 -11.710 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -8.097 -2.671 -10.772 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -9.743 -2.626 -10.098 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.904 1.107 -7.223 1.00 1.00 N ATOM 1844 CA ALA A 118 -11.086 1.956 -7.176 1.00 1.00 C ATOM 1845 C ALA A 118 -10.698 3.383 -6.808 1.00 1.00 C ATOM 1846 O ALA A 118 -11.269 4.344 -7.324 1.00 1.00 O ATOM 1847 CB ALA A 118 -12.078 1.410 -6.149 1.00 1.00 C ATOM 0 H ALA A 118 -9.905 0.340 -6.551 1.00 1.00 H new ATOM 0 HA ALA A 118 -11.553 1.960 -8.161 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.960 2.050 -6.119 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -12.373 0.399 -6.430 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.610 1.391 -5.165 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.725 3.521 -5.913 1.00 1.00 N ATOM 1854 CA ALA A 119 -9.276 4.841 -5.491 1.00 1.00 C ATOM 1855 C ALA A 119 -8.679 5.613 -6.665 1.00 1.00 C ATOM 1856 O ALA A 119 -9.023 6.772 -6.894 1.00 1.00 O ATOM 1857 CB ALA A 119 -8.233 4.710 -4.379 1.00 1.00 C ATOM 0 H ALA A 119 -9.237 2.743 -5.470 1.00 1.00 H new ATOM 0 HA ALA A 119 -10.140 5.390 -5.116 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.904 5.702 -4.070 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.673 4.192 -3.527 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.378 4.142 -4.747 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.783 4.968 -7.410 1.00 1.00 N ATOM 1864 CA GLN A 120 -7.154 5.617 -8.557 1.00 1.00 C ATOM 1865 C GLN A 120 -8.158 5.814 -9.688 1.00 1.00 C ATOM 1866 O GLN A 120 -8.152 6.838 -10.366 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.957 4.801 -9.051 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.810 4.926 -8.044 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.608 4.108 -8.507 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.719 2.898 -8.705 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.456 4.700 -8.689 1.00 1.00 N ATOM 0 H GLN A 120 -7.480 4.009 -7.243 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.800 6.596 -8.235 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -6.239 3.755 -9.170 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.638 5.158 -10.030 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.526 5.973 -7.934 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -5.138 4.580 -7.064 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -2.366 5.703 -8.524 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.647 4.159 -8.996 1.00 1.00 H new ATOM 1880 N LYS A 121 -9.020 4.832 -9.882 1.00 1.00 N ATOM 1881 CA LYS A 121 -10.031 4.908 -10.921 1.00 1.00 C ATOM 1882 C LYS A 121 -11.007 6.046 -10.643 1.00 1.00 C ATOM 1883 O LYS A 121 -11.378 6.796 -11.545 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.785 3.584 -10.953 1.00 1.00 C ATOM 1885 CG LYS A 121 -11.835 3.589 -12.057 1.00 1.00 C ATOM 1886 CD LYS A 121 -12.576 2.261 -12.007 1.00 1.00 C ATOM 1887 CE LYS A 121 -13.620 2.214 -13.115 1.00 1.00 C ATOM 1888 NZ LYS A 121 -14.729 3.159 -12.799 1.00 1.00 N ATOM 0 H LYS A 121 -9.040 3.972 -9.333 1.00 1.00 H new ATOM 0 HA LYS A 121 -9.551 5.099 -11.881 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -10.084 2.765 -11.114 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -11.264 3.409 -9.990 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -12.529 4.418 -11.919 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -11.364 3.726 -13.030 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -11.872 1.436 -12.122 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -13.056 2.138 -11.036 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -13.164 2.479 -14.069 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -14.010 1.201 -13.218 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -15.542 2.960 -13.417 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -15.013 3.042 -11.805 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -14.408 4.136 -12.954 1.00 1.00 H new ATOM 1902 N ALA A 122 -11.440 6.141 -9.395 1.00 1.00 N ATOM 1903 CA ALA A 122 -12.400 7.169 -8.998 1.00 1.00 C ATOM 1904 C ALA A 122 -11.863 8.575 -9.242 1.00 1.00 C ATOM 1905 O ALA A 122 -12.542 9.412 -9.836 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.744 7.010 -7.517 1.00 1.00 C ATOM 0 H ALA A 122 -11.145 5.523 -8.639 1.00 1.00 H new ATOM 0 HA ALA A 122 -13.293 7.038 -9.610 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -13.460 7.778 -7.225 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -13.180 6.025 -7.348 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.838 7.113 -6.920 1.00 1.00 H new ATOM 1912 N GLN A 123 -10.649 8.837 -8.771 1.00 1.00 N ATOM 1913 CA GLN A 123 -10.051 10.160 -8.943 1.00 1.00 C ATOM 1914 C GLN A 123 -9.645 10.383 -10.397 1.00 1.00 C ATOM 1915 O GLN A 123 -9.818 11.474 -10.938 1.00 1.00 O ATOM 1916 CB GLN A 123 -8.836 10.310 -8.024 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.706 9.411 -8.514 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.608 9.326 -7.460 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -5.511 9.846 -7.662 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -6.840 8.696 -6.341 1.00 1.00 N ATOM 0 H GLN A 123 -10.065 8.164 -8.274 1.00 1.00 H new ATOM 0 HA GLN A 123 -10.792 10.913 -8.675 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -8.506 11.349 -8.008 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -9.106 10.046 -7.002 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -8.091 8.414 -8.730 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -7.297 9.803 -9.445 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -7.750 8.266 -6.177 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -6.111 8.633 -5.630 1.00 1.00 H new ATOM 1929 N SER A 124 -9.107 9.340 -11.020 1.00 1.00 N ATOM 1930 CA SER A 124 -8.682 9.428 -12.409 1.00 1.00 C ATOM 1931 C SER A 124 -7.718 10.591 -12.604 1.00 1.00 C ATOM 1932 O SER A 124 -6.520 10.359 -12.550 1.00 1.00 O ATOM 1933 CB SER A 124 -9.900 9.611 -13.314 1.00 1.00 C ATOM 1934 OG SER A 124 -9.475 10.085 -14.585 1.00 1.00 O ATOM 1935 OXT SER A 124 -8.188 11.698 -12.805 1.00 1.00 O ATOM 0 H SER A 124 -8.956 8.429 -10.586 1.00 1.00 H new ATOM 0 HA SER A 124 -8.169 8.503 -12.672 1.00 1.00 H new ATOM 0 HB2 SER A 124 -10.430 8.665 -13.425 1.00 1.00 H new ATOM 0 HB3 SER A 124 -10.598 10.317 -12.865 1.00 1.00 H new ATOM 0 HG SER A 124 -10.254 10.202 -15.168 1.00 1.00 H new