USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 632 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 61 SER OG : rot 160:sc= -0.414 USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 58 MET CE :methyl -152:sc= -0.144 (180deg=-0.32) USER MOD Set 2.2: A 68 LYS NZ :NH3+ -123:sc= -0.218 (180deg=-0.838) USER MOD Set 3.1: A 46 MET CE :methyl -124:sc= -2.67 (180deg=-7.73!) USER MOD Set 3.2: A 79 HIS : no HD1:sc= 0 X(o=-2.7,f=-2.9) USER MOD Set 4.1: A 20 GLN :FLIP amide:sc= 0.054 F(o=-2.4,f=0.023) USER MOD Set 4.2: A 52 ASN :FLIP amide:sc= -0.0314 F(o=-4.1,f=0.023) USER MOD Set 5.1: A 8 THR OG1 : rot 150:sc= 0 USER MOD Set 5.2: A 11 MET CE :methyl -113:sc= -2.47 (180deg=-6.61!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -136:sc= -5.11! (180deg=-7.72!) USER MOD Single : A 33 GLN : amide:sc= -0.914 K(o=-0.91,f=-2!) USER MOD Single : A 35 MET CE :methyl -165:sc= -5.4! (180deg=-6.68!) USER MOD Single : A 36 HIS : no HD1:sc= -2.31! C(o=-2.3!,f=-3.7!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0182) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.848 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.0486 X(o=-0.049,f=-0.0097) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN :FLIP amide:sc= -2.05! C(o=-2.9!,f=-2!) USER MOD Single : B 5 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : B 7 ASN :FLIP amide:sc= -0.0713 F(o=-3.3!,f=-0.071) USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 11 LYS NZ :NH3+ -154:sc= 0.111 (180deg=-0.491) USER MOD Single : B 18 LYS NZ :NH3+ -135:sc= -0.219 (180deg=-1.08) USER MOD Single : B 19 TYR OH : rot 130:sc= -0.0102 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -8.473 -6.611 -5.864 1.00 0.00 N ATOM 95 CA THR A 8 -8.967 -5.608 -4.930 1.00 0.00 C ATOM 96 C THR A 8 -9.956 -4.684 -5.625 1.00 0.00 C ATOM 97 O THR A 8 -10.920 -4.224 -5.015 1.00 0.00 O ATOM 98 CB THR A 8 -7.805 -4.799 -4.348 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.279 -3.846 -3.413 1.00 0.00 O ATOM 100 CG2 THR A 8 -7.002 -4.057 -5.396 1.00 0.00 C ATOM 0 HA THR A 8 -9.477 -6.117 -4.113 1.00 0.00 H new ATOM 0 HB THR A 8 -7.154 -5.532 -3.872 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.593 -3.688 -2.731 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.195 -3.505 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.581 -4.771 -6.104 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.651 -3.360 -5.926 1.00 0.00 H new ATOM 108 N ALA A 9 -9.726 -4.438 -6.913 1.00 0.00 N ATOM 109 CA ALA A 9 -10.642 -3.626 -7.699 1.00 0.00 C ATOM 110 C ALA A 9 -12.020 -4.271 -7.693 1.00 0.00 C ATOM 111 O ALA A 9 -13.043 -3.590 -7.610 1.00 0.00 O ATOM 112 CB ALA A 9 -10.133 -3.464 -9.122 1.00 0.00 C ATOM 0 H ALA A 9 -8.918 -4.788 -7.428 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.709 -2.633 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.834 -2.853 -9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.157 -2.978 -9.106 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.042 -4.444 -9.590 1.00 0.00 H new ATOM 118 N SER A 10 -12.028 -5.600 -7.742 1.00 0.00 N ATOM 119 CA SER A 10 -13.267 -6.358 -7.685 1.00 0.00 C ATOM 120 C SER A 10 -13.892 -6.218 -6.305 1.00 0.00 C ATOM 121 O SER A 10 -15.113 -6.136 -6.171 1.00 0.00 O ATOM 122 CB SER A 10 -13.006 -7.832 -8.003 1.00 0.00 C ATOM 123 OG SER A 10 -14.193 -8.482 -8.424 1.00 0.00 O ATOM 0 H SER A 10 -11.187 -6.172 -7.821 1.00 0.00 H new ATOM 0 HA SER A 10 -13.958 -5.963 -8.430 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.249 -7.910 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.607 -8.332 -7.121 1.00 0.00 H new ATOM 0 HG SER A 10 -13.999 -9.422 -8.622 1.00 0.00 H new ATOM 129 N MET A 11 -13.042 -6.135 -5.281 1.00 0.00 N ATOM 130 CA MET A 11 -13.520 -5.946 -3.918 1.00 0.00 C ATOM 131 C MET A 11 -14.214 -4.600 -3.795 1.00 0.00 C ATOM 132 O MET A 11 -15.213 -4.471 -3.094 1.00 0.00 O ATOM 133 CB MET A 11 -12.369 -6.016 -2.913 1.00 0.00 C ATOM 134 CG MET A 11 -11.507 -7.259 -3.052 1.00 0.00 C ATOM 135 SD MET A 11 -10.916 -7.876 -1.463 1.00 0.00 S ATOM 136 CE MET A 11 -9.743 -6.598 -1.012 1.00 0.00 C ATOM 0 H MET A 11 -12.028 -6.195 -5.371 1.00 0.00 H new ATOM 0 HA MET A 11 -14.224 -6.748 -3.695 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.740 -5.134 -3.033 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.778 -5.980 -1.903 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.081 -8.040 -3.550 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.653 -7.034 -3.691 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.734 -7.011 -1.021 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.806 -5.778 -1.727 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.975 -6.227 -0.013 1.00 0.00 H new ATOM 146 N LEU A 12 -13.684 -3.604 -4.502 1.00 0.00 N ATOM 147 CA LEU A 12 -14.260 -2.266 -4.490 1.00 0.00 C ATOM 148 C LEU A 12 -15.746 -2.333 -4.811 1.00 0.00 C ATOM 149 O LEU A 12 -16.574 -1.758 -4.103 1.00 0.00 O ATOM 150 CB LEU A 12 -13.545 -1.378 -5.513 1.00 0.00 C ATOM 151 CG LEU A 12 -12.540 -0.376 -4.934 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.485 -1.087 -4.097 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.883 0.419 -6.052 1.00 0.00 C ATOM 0 H LEU A 12 -12.856 -3.701 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.132 -1.837 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.023 -2.020 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.297 -0.826 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.080 0.313 -4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.784 -0.355 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.968 -1.614 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.947 -1.802 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.172 1.127 -5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.360 -0.262 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.646 0.963 -6.609 1.00 0.00 H new ATOM 165 N ALA A 13 -16.074 -3.056 -5.875 1.00 0.00 N ATOM 166 CA ALA A 13 -17.461 -3.235 -6.285 1.00 0.00 C ATOM 167 C ALA A 13 -18.240 -4.038 -5.246 1.00 0.00 C ATOM 168 O ALA A 13 -19.446 -3.854 -5.082 1.00 0.00 O ATOM 169 CB ALA A 13 -17.523 -3.921 -7.641 1.00 0.00 C ATOM 0 H ALA A 13 -15.395 -3.529 -6.471 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.923 -2.251 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.564 -4.049 -7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.008 -3.310 -8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.041 -4.897 -7.578 1.00 0.00 H new ATOM 175 N SER A 14 -17.543 -4.939 -4.557 1.00 0.00 N ATOM 176 CA SER A 14 -18.173 -5.791 -3.552 1.00 0.00 C ATOM 177 C SER A 14 -17.900 -5.285 -2.137 1.00 0.00 C ATOM 178 O SER A 14 -18.033 -6.033 -1.168 1.00 0.00 O ATOM 179 CB SER A 14 -17.667 -7.228 -3.694 1.00 0.00 C ATOM 180 OG SER A 14 -16.515 -7.445 -2.898 1.00 0.00 O ATOM 0 H SER A 14 -16.543 -5.098 -4.676 1.00 0.00 H new ATOM 0 HA SER A 14 -19.250 -5.763 -3.719 1.00 0.00 H new ATOM 0 HB2 SER A 14 -18.452 -7.924 -3.400 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.435 -7.433 -4.739 1.00 0.00 H new ATOM 0 HG SER A 14 -16.213 -8.371 -3.006 1.00 0.00 H new ATOM 186 N ALA A 15 -17.523 -4.016 -2.022 1.00 0.00 N ATOM 187 CA ALA A 15 -17.232 -3.426 -0.720 1.00 0.00 C ATOM 188 C ALA A 15 -17.866 -2.042 -0.586 1.00 0.00 C ATOM 189 O ALA A 15 -17.551 -1.133 -1.353 1.00 0.00 O ATOM 190 CB ALA A 15 -15.731 -3.341 -0.497 1.00 0.00 C ATOM 0 H ALA A 15 -17.412 -3.379 -2.811 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.665 -4.072 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.533 -2.898 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.300 -4.341 -0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.282 -2.722 -1.274 1.00 0.00 H new ATOM 241 N GLU A 19 -16.284 0.380 3.705 1.00 0.00 N ATOM 242 CA GLU A 19 -15.361 -0.744 3.623 1.00 0.00 C ATOM 243 C GLU A 19 -14.032 -0.311 3.013 1.00 0.00 C ATOM 244 O GLU A 19 -13.204 -1.145 2.650 1.00 0.00 O ATOM 245 CB GLU A 19 -15.979 -1.867 2.787 1.00 0.00 C ATOM 246 CG GLU A 19 -15.517 -3.257 3.191 1.00 0.00 C ATOM 247 CD GLU A 19 -16.464 -3.925 4.168 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.407 -3.595 5.371 1.00 0.00 O ATOM 249 OE2 GLU A 19 -17.263 -4.779 3.729 1.00 0.00 O ATOM 0 HA GLU A 19 -15.173 -1.109 4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.064 -1.816 2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.734 -1.703 1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.423 -3.878 2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.526 -3.190 3.639 1.00 0.00 H new ATOM 256 N GLN A 20 -13.838 1.000 2.907 1.00 0.00 N ATOM 257 CA GLN A 20 -12.615 1.560 2.338 1.00 0.00 C ATOM 258 C GLN A 20 -11.374 0.982 3.010 1.00 0.00 C ATOM 259 O GLN A 20 -10.520 0.385 2.355 1.00 0.00 O ATOM 260 CB GLN A 20 -12.613 3.085 2.481 1.00 0.00 C ATOM 261 CG GLN A 20 -13.260 3.580 3.765 1.00 0.00 C ATOM 262 CD GLN A 20 -12.390 4.574 4.510 1.00 0.00 C ATOM 263 OE1 GLN A 20 -11.454 4.065 5.302 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -12.560 5.786 4.376 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.516 1.699 3.210 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.589 1.293 1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.584 3.443 2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.135 3.521 1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.217 4.045 3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.470 2.729 4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.292 6.133 3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.969 6.443 4.885 1.00 0.00 H new ATOM 273 N LYS A 21 -11.293 1.145 4.326 1.00 0.00 N ATOM 274 CA LYS A 21 -10.144 0.667 5.090 1.00 0.00 C ATOM 275 C LYS A 21 -9.910 -0.824 4.875 1.00 0.00 C ATOM 276 O LYS A 21 -8.823 -1.331 5.142 1.00 0.00 O ATOM 277 CB LYS A 21 -10.341 0.949 6.584 1.00 0.00 C ATOM 278 CG LYS A 21 -11.799 1.079 7.002 1.00 0.00 C ATOM 279 CD LYS A 21 -12.541 -0.240 6.867 1.00 0.00 C ATOM 280 CE LYS A 21 -12.779 -0.889 8.220 1.00 0.00 C ATOM 281 NZ LYS A 21 -14.225 -1.142 8.468 1.00 0.00 N ATOM 0 H LYS A 21 -12.010 1.605 4.887 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.266 1.205 4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.879 0.146 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.816 1.869 6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.852 1.423 8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.288 1.836 6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.497 -0.071 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.968 -0.917 6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.232 -1.830 8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.383 -0.246 9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.345 -1.585 9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.744 -0.241 8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.597 -1.776 7.733 1.00 0.00 H new ATOM 295 N GLN A 22 -10.939 -1.530 4.423 1.00 0.00 N ATOM 296 CA GLN A 22 -10.823 -2.962 4.175 1.00 0.00 C ATOM 297 C GLN A 22 -9.997 -3.244 2.921 1.00 0.00 C ATOM 298 O GLN A 22 -8.830 -3.624 3.006 1.00 0.00 O ATOM 299 CB GLN A 22 -12.210 -3.598 4.042 1.00 0.00 C ATOM 300 CG GLN A 22 -12.176 -5.041 3.560 1.00 0.00 C ATOM 301 CD GLN A 22 -12.284 -6.039 4.697 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.373 -6.301 5.207 1.00 0.00 O ATOM 303 NE2 GLN A 22 -11.150 -6.605 5.097 1.00 0.00 N ATOM 0 H GLN A 22 -11.859 -1.137 4.222 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.309 -3.404 5.028 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.713 -3.559 5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.807 -3.006 3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.994 -5.205 2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.249 -5.216 3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.270 -6.358 4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.160 -7.287 5.856 1.00 0.00 H new ATOM 312 N MET A 23 -10.632 -3.103 1.761 1.00 0.00 N ATOM 313 CA MET A 23 -9.986 -3.409 0.484 1.00 0.00 C ATOM 314 C MET A 23 -8.889 -2.408 0.117 1.00 0.00 C ATOM 315 O MET A 23 -7.729 -2.576 0.493 1.00 0.00 O ATOM 316 CB MET A 23 -11.022 -3.480 -0.647 1.00 0.00 C ATOM 317 CG MET A 23 -12.384 -2.906 -0.290 1.00 0.00 C ATOM 318 SD MET A 23 -12.360 -1.113 -0.114 1.00 0.00 S ATOM 319 CE MET A 23 -13.648 -0.637 -1.264 1.00 0.00 C ATOM 0 H MET A 23 -11.595 -2.778 1.677 1.00 0.00 H new ATOM 0 HA MET A 23 -9.511 -4.382 0.608 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.632 -2.946 -1.514 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.147 -4.521 -0.944 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.103 -3.181 -1.061 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.729 -3.354 0.642 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.312 0.216 -1.854 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.870 -1.473 -1.928 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.547 -0.364 -0.711 1.00 0.00 H new ATOM 329 N LEU A 24 -9.260 -1.401 -0.671 1.00 0.00 N ATOM 330 CA LEU A 24 -8.310 -0.424 -1.200 1.00 0.00 C ATOM 331 C LEU A 24 -7.582 0.368 -0.121 1.00 0.00 C ATOM 332 O LEU A 24 -6.815 1.277 -0.442 1.00 0.00 O ATOM 333 CB LEU A 24 -9.033 0.562 -2.131 1.00 0.00 C ATOM 334 CG LEU A 24 -10.405 1.075 -1.667 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.321 1.702 -0.285 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.955 2.080 -2.669 1.00 0.00 C ATOM 0 H LEU A 24 -10.225 -1.239 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.560 -1.000 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.383 1.423 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.160 0.082 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.082 0.223 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.308 2.055 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.968 0.959 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.627 2.542 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.928 2.437 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.269 2.923 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.063 1.601 -3.642 1.00 0.00 H new ATOM 348 N GLY A 25 -7.842 0.076 1.146 1.00 0.00 N ATOM 349 CA GLY A 25 -7.259 0.893 2.185 1.00 0.00 C ATOM 350 C GLY A 25 -7.829 2.282 2.072 1.00 0.00 C ATOM 351 O GLY A 25 -9.041 2.467 2.152 1.00 0.00 O ATOM 0 H GLY A 25 -8.431 -0.693 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.478 0.472 3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.174 0.919 2.084 1.00 0.00 H new ATOM 355 N GLU A 26 -6.978 3.250 1.798 1.00 0.00 N ATOM 356 CA GLU A 26 -7.461 4.564 1.429 1.00 0.00 C ATOM 357 C GLU A 26 -7.959 4.475 -0.012 1.00 0.00 C ATOM 358 O GLU A 26 -9.158 4.530 -0.287 1.00 0.00 O ATOM 359 CB GLU A 26 -6.359 5.615 1.562 1.00 0.00 C ATOM 360 CG GLU A 26 -6.556 6.553 2.741 1.00 0.00 C ATOM 361 CD GLU A 26 -6.680 5.816 4.060 1.00 0.00 C ATOM 362 OE1 GLU A 26 -5.635 5.516 4.673 1.00 0.00 O ATOM 363 OE2 GLU A 26 -7.824 5.537 4.477 1.00 0.00 O ATOM 0 H GLU A 26 -5.963 3.154 1.823 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.267 4.872 2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.398 5.111 1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.315 6.202 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.716 7.245 2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.452 7.152 2.578 1.00 0.00 H new ATOM 370 N ARG A 27 -7.000 4.287 -0.911 1.00 0.00 N ATOM 371 CA ARG A 27 -7.254 4.060 -2.331 1.00 0.00 C ATOM 372 C ARG A 27 -6.014 3.415 -2.940 1.00 0.00 C ATOM 373 O ARG A 27 -5.878 3.292 -4.158 1.00 0.00 O ATOM 374 CB ARG A 27 -7.568 5.376 -3.044 1.00 0.00 C ATOM 375 CG ARG A 27 -8.071 5.194 -4.469 1.00 0.00 C ATOM 376 CD ARG A 27 -9.365 4.397 -4.509 1.00 0.00 C ATOM 377 NE ARG A 27 -10.225 4.797 -5.619 1.00 0.00 N ATOM 378 CZ ARG A 27 -10.452 4.038 -6.688 1.00 0.00 C ATOM 379 NH1 ARG A 27 -9.881 2.845 -6.794 1.00 0.00 N ATOM 380 NH2 ARG A 27 -11.249 4.474 -7.654 1.00 0.00 N ATOM 0 H ARG A 27 -6.009 4.288 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.117 3.405 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.318 5.920 -2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.670 5.993 -3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.230 6.170 -4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.311 4.685 -5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.133 3.335 -4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.901 4.531 -3.570 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.677 5.710 -5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.265 2.507 -6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.058 2.266 -7.615 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.688 5.391 -7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.423 3.892 -8.473 1.00 0.00 H new ATOM 394 N LEU A 28 -5.103 3.034 -2.054 1.00 0.00 N ATOM 395 CA LEU A 28 -3.791 2.530 -2.431 1.00 0.00 C ATOM 396 C LEU A 28 -3.837 1.293 -3.319 1.00 0.00 C ATOM 397 O LEU A 28 -3.488 1.361 -4.498 1.00 0.00 O ATOM 398 CB LEU A 28 -2.993 2.232 -1.163 1.00 0.00 C ATOM 399 CG LEU A 28 -2.152 3.402 -0.651 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.456 3.676 0.813 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.674 3.124 -0.850 1.00 0.00 C ATOM 0 H LEU A 28 -5.256 3.067 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.310 3.306 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.684 1.927 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.335 1.385 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.412 4.291 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.849 4.512 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.512 3.923 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.226 2.790 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.092 3.968 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.396 2.223 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.470 2.981 -1.911 1.00 0.00 H new ATOM 413 N PHE A 29 -4.194 0.156 -2.732 1.00 0.00 N ATOM 414 CA PHE A 29 -4.187 -1.125 -3.439 1.00 0.00 C ATOM 415 C PHE A 29 -4.604 -1.008 -4.916 1.00 0.00 C ATOM 416 O PHE A 29 -3.903 -1.519 -5.783 1.00 0.00 O ATOM 417 CB PHE A 29 -5.064 -2.146 -2.708 1.00 0.00 C ATOM 418 CG PHE A 29 -4.345 -3.430 -2.385 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.662 -4.128 -3.371 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.352 -3.936 -1.094 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.000 -5.303 -3.073 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.688 -5.110 -0.792 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.019 -5.798 -1.786 1.00 0.00 C ATOM 0 H PHE A 29 -4.495 0.093 -1.759 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.154 -1.472 -3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.432 -1.702 -1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.936 -2.371 -3.322 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.648 -3.748 -4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.882 -3.407 -0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.467 -5.834 -3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.692 -5.489 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.511 -6.723 -1.555 1.00 0.00 H new ATOM 433 N PRO A 30 -5.727 -0.327 -5.240 1.00 0.00 N ATOM 434 CA PRO A 30 -6.200 -0.199 -6.632 1.00 0.00 C ATOM 435 C PRO A 30 -5.192 0.476 -7.560 1.00 0.00 C ATOM 436 O PRO A 30 -4.989 0.032 -8.692 1.00 0.00 O ATOM 437 CB PRO A 30 -7.455 0.666 -6.512 1.00 0.00 C ATOM 438 CG PRO A 30 -7.909 0.476 -5.112 1.00 0.00 C ATOM 439 CD PRO A 30 -6.659 0.308 -4.295 1.00 0.00 C ATOM 0 HA PRO A 30 -6.370 -1.181 -7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.236 1.713 -6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.221 0.354 -7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.488 1.333 -4.769 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.553 -0.399 -5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.280 1.265 -3.936 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.831 -0.316 -3.418 1.00 0.00 H new ATOM 447 N LEU A 31 -4.549 1.538 -7.082 1.00 0.00 N ATOM 448 CA LEU A 31 -3.589 2.261 -7.916 1.00 0.00 C ATOM 449 C LEU A 31 -2.344 1.417 -8.125 1.00 0.00 C ATOM 450 O LEU A 31 -1.871 1.248 -9.252 1.00 0.00 O ATOM 451 CB LEU A 31 -3.200 3.603 -7.285 1.00 0.00 C ATOM 452 CG LEU A 31 -4.124 4.100 -6.178 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.317 4.642 -5.010 1.00 0.00 C ATOM 454 CD2 LEU A 31 -5.072 5.160 -6.712 1.00 0.00 C ATOM 0 H LEU A 31 -4.670 1.913 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.064 2.460 -8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.191 3.516 -6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.164 4.358 -8.071 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.717 3.258 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.994 4.992 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.680 3.853 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.696 5.471 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.724 5.503 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.497 6.002 -7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.677 4.737 -7.514 1.00 0.00 H new ATOM 466 N ILE A 32 -1.838 0.850 -7.042 1.00 0.00 N ATOM 467 CA ILE A 32 -0.679 -0.012 -7.132 1.00 0.00 C ATOM 468 C ILE A 32 -1.073 -1.355 -7.725 1.00 0.00 C ATOM 469 O ILE A 32 -0.219 -2.147 -8.107 1.00 0.00 O ATOM 470 CB ILE A 32 -0.007 -0.232 -5.767 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.456 0.839 -4.765 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.504 -0.215 -5.933 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.224 0.743 -3.417 1.00 0.00 C ATOM 0 H ILE A 32 -2.210 0.971 -6.100 1.00 0.00 H new ATOM 0 HA ILE A 32 0.042 0.487 -7.780 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.308 -1.204 -5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.261 1.824 -5.190 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.534 0.761 -4.623 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.978 -0.371 -4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.804 -1.010 -6.616 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.815 0.748 -6.338 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.147 1.534 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.009 -0.227 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.301 0.853 -3.544 1.00 0.00 H new ATOM 485 N GLN A 33 -2.379 -1.609 -7.799 1.00 0.00 N ATOM 486 CA GLN A 33 -2.875 -2.835 -8.410 1.00 0.00 C ATOM 487 C GLN A 33 -2.466 -2.851 -9.871 1.00 0.00 C ATOM 488 O GLN A 33 -2.048 -3.876 -10.406 1.00 0.00 O ATOM 489 CB GLN A 33 -4.392 -2.945 -8.269 1.00 0.00 C ATOM 490 CG GLN A 33 -5.015 -4.013 -9.155 1.00 0.00 C ATOM 491 CD GLN A 33 -6.065 -3.452 -10.093 1.00 0.00 C ATOM 492 OE1 GLN A 33 -6.991 -2.764 -9.667 1.00 0.00 O ATOM 493 NE2 GLN A 33 -5.924 -3.745 -11.381 1.00 0.00 N ATOM 0 H GLN A 33 -3.105 -0.986 -7.446 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.441 -3.695 -7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.636 -3.161 -7.229 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.841 -1.981 -8.508 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.232 -4.497 -9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.467 -4.782 -8.528 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.140 -4.320 -11.690 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.600 -3.395 -12.060 1.00 0.00 H new ATOM 502 N ALA A 34 -2.538 -1.682 -10.496 1.00 0.00 N ATOM 503 CA ALA A 34 -2.071 -1.532 -11.864 1.00 0.00 C ATOM 504 C ALA A 34 -0.554 -1.691 -11.888 1.00 0.00 C ATOM 505 O ALA A 34 0.021 -2.201 -12.849 1.00 0.00 O ATOM 506 CB ALA A 34 -2.485 -0.183 -12.432 1.00 0.00 C ATOM 0 H ALA A 34 -2.913 -0.830 -10.078 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.525 -2.301 -12.489 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.124 -0.094 -13.457 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.572 -0.102 -12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.056 0.614 -11.825 1.00 0.00 H new ATOM 512 N MET A 35 0.073 -1.297 -10.778 1.00 0.00 N ATOM 513 CA MET A 35 1.520 -1.420 -10.612 1.00 0.00 C ATOM 514 C MET A 35 1.852 -2.644 -9.766 1.00 0.00 C ATOM 515 O MET A 35 2.888 -2.694 -9.101 1.00 0.00 O ATOM 516 CB MET A 35 2.073 -0.160 -9.945 1.00 0.00 C ATOM 517 CG MET A 35 1.457 1.115 -10.488 1.00 0.00 C ATOM 518 SD MET A 35 2.161 2.605 -9.765 1.00 0.00 S ATOM 519 CE MET A 35 0.683 3.598 -9.583 1.00 0.00 C ATOM 0 H MET A 35 -0.405 -0.887 -9.975 1.00 0.00 H new ATOM 0 HA MET A 35 1.979 -1.538 -11.594 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.894 -0.215 -8.871 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.153 -0.124 -10.087 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.592 1.145 -11.569 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.383 1.100 -10.301 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.962 4.636 -9.403 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.088 3.535 -10.494 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.098 3.228 -8.741 1.00 0.00 H new ATOM 529 N HIS A 36 0.952 -3.625 -9.790 1.00 0.00 N ATOM 530 CA HIS A 36 1.107 -4.839 -8.999 1.00 0.00 C ATOM 531 C HIS A 36 2.316 -5.684 -9.427 1.00 0.00 C ATOM 532 O HIS A 36 2.906 -6.353 -8.577 1.00 0.00 O ATOM 533 CB HIS A 36 -0.180 -5.671 -9.044 1.00 0.00 C ATOM 534 CG HIS A 36 -0.156 -6.800 -10.030 1.00 0.00 C ATOM 535 ND1 HIS A 36 -0.544 -6.619 -11.337 1.00 0.00 N ATOM 536 CD2 HIS A 36 0.206 -8.092 -9.850 1.00 0.00 C ATOM 537 CE1 HIS A 36 -0.404 -7.796 -11.922 1.00 0.00 C ATOM 538 NE2 HIS A 36 0.049 -8.717 -11.059 1.00 0.00 N ATOM 0 H HIS A 36 0.102 -3.600 -10.354 1.00 0.00 H new ATOM 0 HA HIS A 36 1.298 -4.526 -7.973 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.370 -6.077 -8.050 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.015 -5.013 -9.285 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.552 -8.543 -8.931 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.626 -7.991 -12.961 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.241 -9.698 -11.264 1.00 0.00 H new ATOM 546 N PRO A 37 2.705 -5.698 -10.735 1.00 0.00 N ATOM 547 CA PRO A 37 3.860 -6.471 -11.200 1.00 0.00 C ATOM 548 C PRO A 37 4.966 -6.536 -10.154 1.00 0.00 C ATOM 549 O PRO A 37 5.623 -7.564 -9.992 1.00 0.00 O ATOM 550 CB PRO A 37 4.310 -5.684 -12.424 1.00 0.00 C ATOM 551 CG PRO A 37 3.042 -5.155 -13.006 1.00 0.00 C ATOM 552 CD PRO A 37 2.082 -4.957 -11.854 1.00 0.00 C ATOM 0 HA PRO A 37 3.617 -7.513 -11.408 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.990 -4.877 -12.151 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.839 -6.320 -13.134 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.219 -4.215 -13.528 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.631 -5.852 -13.736 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.960 -3.901 -11.614 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.092 -5.347 -12.089 1.00 0.00 H new ATOM 560 N THR A 38 5.128 -5.445 -9.411 1.00 0.00 N ATOM 561 CA THR A 38 6.086 -5.403 -8.319 1.00 0.00 C ATOM 562 C THR A 38 5.506 -6.127 -7.105 1.00 0.00 C ATOM 563 O THR A 38 5.689 -7.335 -6.952 1.00 0.00 O ATOM 564 CB THR A 38 6.434 -3.954 -7.966 1.00 0.00 C ATOM 565 OG1 THR A 38 6.544 -3.168 -9.139 1.00 0.00 O ATOM 566 CG2 THR A 38 7.731 -3.819 -7.198 1.00 0.00 C ATOM 0 H THR A 38 4.606 -4.579 -9.548 1.00 0.00 H new ATOM 0 HA THR A 38 7.003 -5.904 -8.628 1.00 0.00 H new ATOM 0 HB THR A 38 5.619 -3.606 -7.331 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.765 -2.245 -8.895 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.917 -2.767 -6.980 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.660 -4.376 -6.264 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.551 -4.216 -7.796 1.00 0.00 H new ATOM 574 N LEU A 39 4.780 -5.394 -6.260 1.00 0.00 N ATOM 575 CA LEU A 39 4.135 -5.990 -5.093 1.00 0.00 C ATOM 576 C LEU A 39 3.203 -4.993 -4.400 1.00 0.00 C ATOM 577 O LEU A 39 3.448 -4.597 -3.260 1.00 0.00 O ATOM 578 CB LEU A 39 5.184 -6.506 -4.106 1.00 0.00 C ATOM 579 CG LEU A 39 4.849 -7.838 -3.426 1.00 0.00 C ATOM 580 CD1 LEU A 39 3.627 -7.692 -2.530 1.00 0.00 C ATOM 581 CD2 LEU A 39 4.627 -8.931 -4.461 1.00 0.00 C ATOM 0 H LEU A 39 4.625 -4.391 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 39 3.533 -6.829 -5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.132 -6.615 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.334 -5.751 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 39 5.697 -8.125 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.406 -8.649 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.826 -6.945 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.772 -7.378 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.391 -9.868 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.800 -8.652 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.531 -9.058 -5.056 1.00 0.00 H new ATOM 593 N ALA A 40 2.123 -4.614 -5.084 1.00 0.00 N ATOM 594 CA ALA A 40 1.146 -3.673 -4.533 1.00 0.00 C ATOM 595 C ALA A 40 0.736 -4.057 -3.110 1.00 0.00 C ATOM 596 O ALA A 40 0.448 -3.191 -2.284 1.00 0.00 O ATOM 597 CB ALA A 40 -0.083 -3.611 -5.430 1.00 0.00 C ATOM 0 H ALA A 40 1.902 -4.945 -6.023 1.00 0.00 H new ATOM 0 HA ALA A 40 1.616 -2.690 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.804 -2.908 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.210 -3.280 -6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.536 -4.600 -5.495 1.00 0.00 H new ATOM 603 N GLY A 41 0.715 -5.359 -2.841 1.00 0.00 N ATOM 604 CA GLY A 41 0.308 -5.861 -1.539 1.00 0.00 C ATOM 605 C GLY A 41 0.935 -5.134 -0.363 1.00 0.00 C ATOM 606 O GLY A 41 0.225 -4.599 0.486 1.00 0.00 O ATOM 0 H GLY A 41 0.976 -6.084 -3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.777 -5.790 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.563 -6.919 -1.475 1.00 0.00 H new ATOM 610 N LYS A 42 2.260 -5.158 -0.278 1.00 0.00 N ATOM 611 CA LYS A 42 2.956 -4.537 0.847 1.00 0.00 C ATOM 612 C LYS A 42 3.020 -3.019 0.710 1.00 0.00 C ATOM 613 O LYS A 42 2.998 -2.302 1.710 1.00 0.00 O ATOM 614 CB LYS A 42 4.372 -5.105 0.994 1.00 0.00 C ATOM 615 CG LYS A 42 5.087 -4.669 2.268 1.00 0.00 C ATOM 616 CD LYS A 42 4.143 -4.585 3.458 1.00 0.00 C ATOM 617 CE LYS A 42 4.692 -3.671 4.540 1.00 0.00 C ATOM 618 NZ LYS A 42 5.997 -4.156 5.068 1.00 0.00 N ATOM 0 H LYS A 42 2.871 -5.596 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 42 2.382 -4.771 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.319 -6.194 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.966 -4.798 0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.889 -5.373 2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.552 -3.697 2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.171 -4.217 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.984 -5.582 3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.814 -2.665 4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.973 -3.602 5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.296 -3.553 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.895 -5.137 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.713 -4.117 4.314 1.00 0.00 H new ATOM 632 N ILE A 43 3.116 -2.534 -0.522 1.00 0.00 N ATOM 633 CA ILE A 43 3.201 -1.097 -0.765 1.00 0.00 C ATOM 634 C ILE A 43 2.043 -0.359 -0.100 1.00 0.00 C ATOM 635 O ILE A 43 2.260 0.522 0.731 1.00 0.00 O ATOM 636 CB ILE A 43 3.220 -0.768 -2.267 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.242 -1.647 -2.992 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.538 0.704 -2.477 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.202 -1.504 -4.497 1.00 0.00 C ATOM 0 H ILE A 43 3.137 -3.109 -1.364 1.00 0.00 H new ATOM 0 HA ILE A 43 4.141 -0.762 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 43 2.234 -0.973 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.242 -1.396 -2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.064 -2.690 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.549 0.925 -3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.778 1.314 -1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.515 0.930 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.953 -2.156 -4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.214 -1.784 -4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.410 -0.470 -4.770 1.00 0.00 H new ATOM 651 N THR A 44 0.816 -0.734 -0.457 1.00 0.00 N ATOM 652 CA THR A 44 -0.369 -0.123 0.133 1.00 0.00 C ATOM 653 C THR A 44 -0.262 -0.125 1.652 1.00 0.00 C ATOM 654 O THR A 44 -0.553 0.875 2.307 1.00 0.00 O ATOM 655 CB THR A 44 -1.627 -0.878 -0.304 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.786 -0.290 0.259 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.619 -2.336 0.092 1.00 0.00 C ATOM 0 H THR A 44 0.619 -1.456 -1.150 1.00 0.00 H new ATOM 0 HA THR A 44 -0.438 0.908 -0.214 1.00 0.00 H new ATOM 0 HB THR A 44 -1.637 -0.813 -1.392 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.579 -0.786 -0.033 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.539 -2.811 -0.249 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.764 -2.833 -0.366 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.548 -2.418 1.177 1.00 0.00 H new ATOM 665 N GLY A 45 0.203 -1.245 2.195 1.00 0.00 N ATOM 666 CA GLY A 45 0.352 -1.383 3.632 1.00 0.00 C ATOM 667 C GLY A 45 1.084 -0.219 4.274 1.00 0.00 C ATOM 668 O GLY A 45 0.496 0.538 5.041 1.00 0.00 O ATOM 0 H GLY A 45 0.482 -2.067 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.635 -1.477 4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.891 -2.306 3.848 1.00 0.00 H new ATOM 672 N MET A 46 2.370 -0.077 3.965 1.00 0.00 N ATOM 673 CA MET A 46 3.184 0.987 4.557 1.00 0.00 C ATOM 674 C MET A 46 2.565 2.361 4.321 1.00 0.00 C ATOM 675 O MET A 46 2.470 3.173 5.243 1.00 0.00 O ATOM 676 CB MET A 46 4.618 0.972 4.003 1.00 0.00 C ATOM 677 CG MET A 46 4.922 -0.181 3.058 1.00 0.00 C ATOM 678 SD MET A 46 6.485 -0.995 3.441 1.00 0.00 S ATOM 679 CE MET A 46 7.131 -1.283 1.796 1.00 0.00 C ATOM 0 H MET A 46 2.871 -0.680 3.312 1.00 0.00 H new ATOM 0 HA MET A 46 3.218 0.795 5.629 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.801 1.911 3.480 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.316 0.932 4.839 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.114 -0.911 3.109 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.951 0.191 2.034 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.340 -2.345 1.668 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.396 -0.966 1.056 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.051 -0.714 1.661 1.00 0.00 H new ATOM 689 N LEU A 47 2.160 2.627 3.085 1.00 0.00 N ATOM 690 CA LEU A 47 1.582 3.920 2.735 1.00 0.00 C ATOM 691 C LEU A 47 0.115 4.015 3.147 1.00 0.00 C ATOM 692 O LEU A 47 -0.556 4.999 2.835 1.00 0.00 O ATOM 693 CB LEU A 47 1.714 4.177 1.230 1.00 0.00 C ATOM 694 CG LEU A 47 3.144 4.389 0.714 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.890 5.393 1.583 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.897 3.069 0.654 1.00 0.00 C ATOM 0 H LEU A 47 2.221 1.967 2.310 1.00 0.00 H new ATOM 0 HA LEU A 47 2.137 4.681 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.276 3.334 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.122 5.056 0.977 1.00 0.00 H new ATOM 0 HG LEU A 47 3.082 4.793 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.901 5.527 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.366 6.349 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.938 5.023 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.908 3.243 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.945 2.632 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.379 2.385 -0.018 1.00 0.00 H new ATOM 708 N LEU A 48 -0.381 3.001 3.854 1.00 0.00 N ATOM 709 CA LEU A 48 -1.773 3.003 4.297 1.00 0.00 C ATOM 710 C LEU A 48 -2.010 4.119 5.309 1.00 0.00 C ATOM 711 O LEU A 48 -3.151 4.454 5.625 1.00 0.00 O ATOM 712 CB LEU A 48 -2.168 1.641 4.885 1.00 0.00 C ATOM 713 CG LEU A 48 -3.525 1.103 4.420 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.559 2.214 4.341 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.384 0.418 3.073 1.00 0.00 C ATOM 0 H LEU A 48 0.153 2.177 4.130 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.405 3.186 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.398 0.914 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.179 1.721 5.972 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.869 0.375 5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.512 1.802 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.683 2.666 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.225 2.972 3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.355 0.040 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.013 1.133 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.682 -0.412 3.158 1.00 0.00 H new ATOM 727 N GLU A 49 -0.924 4.729 5.771 1.00 0.00 N ATOM 728 CA GLU A 49 -1.015 5.847 6.700 1.00 0.00 C ATOM 729 C GLU A 49 -1.281 7.145 5.940 1.00 0.00 C ATOM 730 O GLU A 49 -1.013 8.238 6.440 1.00 0.00 O ATOM 731 CB GLU A 49 0.277 5.966 7.509 1.00 0.00 C ATOM 732 CG GLU A 49 0.555 4.756 8.386 1.00 0.00 C ATOM 733 CD GLU A 49 0.566 5.102 9.862 1.00 0.00 C ATOM 734 OE1 GLU A 49 -0.524 5.345 10.421 1.00 0.00 O ATOM 735 OE2 GLU A 49 1.663 5.138 10.456 1.00 0.00 O ATOM 0 H GLU A 49 0.029 4.468 5.517 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.843 5.666 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.113 6.109 6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.223 6.855 8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.202 3.994 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.517 4.324 8.110 1.00 0.00 H new ATOM 742 N ILE A 50 -1.809 7.007 4.726 1.00 0.00 N ATOM 743 CA ILE A 50 -2.106 8.155 3.876 1.00 0.00 C ATOM 744 C ILE A 50 -3.465 8.761 4.229 1.00 0.00 C ATOM 745 O ILE A 50 -4.295 8.116 4.871 1.00 0.00 O ATOM 746 CB ILE A 50 -2.061 7.758 2.379 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.196 8.743 1.595 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.456 7.679 1.770 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.726 8.197 0.266 1.00 0.00 C ATOM 0 H ILE A 50 -2.041 6.106 4.308 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.340 8.910 4.054 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.619 6.764 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.763 9.658 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.328 9.013 2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.379 7.398 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.044 6.932 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.944 8.650 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.117 8.946 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.132 7.298 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.589 7.953 -0.353 1.00 0.00 H new ATOM 761 N ASP A 51 -3.675 10.010 3.823 1.00 0.00 N ATOM 762 CA ASP A 51 -4.920 10.715 4.116 1.00 0.00 C ATOM 763 C ASP A 51 -6.087 10.153 3.313 1.00 0.00 C ATOM 764 O ASP A 51 -5.899 9.570 2.245 1.00 0.00 O ATOM 765 CB ASP A 51 -4.765 12.204 3.807 1.00 0.00 C ATOM 766 CG ASP A 51 -4.084 12.962 4.929 1.00 0.00 C ATOM 767 OD1 ASP A 51 -2.876 12.732 5.152 1.00 0.00 O ATOM 768 OD2 ASP A 51 -4.756 13.786 5.583 1.00 0.00 O ATOM 0 H ASP A 51 -2.998 10.556 3.289 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.134 10.575 5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.188 12.323 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.748 12.638 3.624 1.00 0.00 H new ATOM 773 N ASN A 52 -7.297 10.363 3.825 1.00 0.00 N ATOM 774 CA ASN A 52 -8.504 9.917 3.140 1.00 0.00 C ATOM 775 C ASN A 52 -8.955 10.967 2.131 1.00 0.00 C ATOM 776 O ASN A 52 -9.579 10.649 1.120 1.00 0.00 O ATOM 777 CB ASN A 52 -9.623 9.636 4.146 1.00 0.00 C ATOM 778 CG ASN A 52 -9.602 8.205 4.653 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.267 7.308 3.931 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.997 7.910 5.683 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.466 10.839 4.711 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.277 8.992 2.610 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.528 10.319 4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.587 9.839 3.679 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.500 8.630 6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.993 6.945 6.013 1.00 0.00 H new ATOM 787 N SER A 53 -8.625 12.223 2.408 1.00 0.00 N ATOM 788 CA SER A 53 -8.954 13.311 1.498 1.00 0.00 C ATOM 789 C SER A 53 -8.037 13.261 0.282 1.00 0.00 C ATOM 790 O SER A 53 -8.447 13.567 -0.838 1.00 0.00 O ATOM 791 CB SER A 53 -8.821 14.660 2.208 1.00 0.00 C ATOM 792 OG SER A 53 -8.104 15.589 1.414 1.00 0.00 O ATOM 0 H SER A 53 -8.132 12.512 3.253 1.00 0.00 H new ATOM 0 HA SER A 53 -9.987 13.196 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.812 15.056 2.430 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.311 14.523 3.162 1.00 0.00 H new ATOM 0 HG SER A 53 -8.035 16.442 1.891 1.00 0.00 H new ATOM 798 N GLU A 54 -6.797 12.844 0.516 1.00 0.00 N ATOM 799 CA GLU A 54 -5.812 12.727 -0.550 1.00 0.00 C ATOM 800 C GLU A 54 -6.070 11.484 -1.390 1.00 0.00 C ATOM 801 O GLU A 54 -5.763 11.458 -2.581 1.00 0.00 O ATOM 802 CB GLU A 54 -4.401 12.677 0.035 1.00 0.00 C ATOM 803 CG GLU A 54 -3.991 13.967 0.723 1.00 0.00 C ATOM 804 CD GLU A 54 -2.609 14.436 0.312 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.729 13.577 0.095 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.406 15.665 0.209 1.00 0.00 O ATOM 0 H GLU A 54 -6.451 12.581 1.439 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.900 13.604 -1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.340 11.857 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.692 12.457 -0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.718 14.745 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.014 13.821 1.803 1.00 0.00 H new ATOM 813 N LEU A 55 -6.646 10.457 -0.767 1.00 0.00 N ATOM 814 CA LEU A 55 -6.951 9.220 -1.472 1.00 0.00 C ATOM 815 C LEU A 55 -7.886 9.504 -2.639 1.00 0.00 C ATOM 816 O LEU A 55 -7.660 9.046 -3.755 1.00 0.00 O ATOM 817 CB LEU A 55 -7.561 8.184 -0.512 1.00 0.00 C ATOM 818 CG LEU A 55 -9.087 8.225 -0.327 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.803 7.527 -1.475 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.475 7.581 0.994 1.00 0.00 C ATOM 0 H LEU A 55 -6.908 10.459 0.219 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.025 8.801 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.288 7.190 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.097 8.312 0.466 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.394 9.271 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.880 7.574 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.555 8.022 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.488 6.485 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.558 7.617 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.143 6.543 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.002 8.121 1.815 1.00 0.00 H new ATOM 832 N LEU A 56 -8.917 10.294 -2.371 1.00 0.00 N ATOM 833 CA LEU A 56 -9.886 10.660 -3.395 1.00 0.00 C ATOM 834 C LEU A 56 -9.205 11.400 -4.540 1.00 0.00 C ATOM 835 O LEU A 56 -9.451 11.116 -5.712 1.00 0.00 O ATOM 836 CB LEU A 56 -10.992 11.530 -2.787 1.00 0.00 C ATOM 837 CG LEU A 56 -12.377 11.375 -3.424 1.00 0.00 C ATOM 838 CD1 LEU A 56 -12.404 11.995 -4.812 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.777 9.908 -3.483 1.00 0.00 C ATOM 0 H LEU A 56 -9.104 10.694 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.331 9.747 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.071 11.297 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.691 12.575 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.100 11.903 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.397 11.873 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.166 13.056 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.668 11.500 -5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.763 9.818 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.050 9.356 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.805 9.497 -2.474 1.00 0.00 H new ATOM 851 N HIS A 57 -8.329 12.337 -4.195 1.00 0.00 N ATOM 852 CA HIS A 57 -7.606 13.109 -5.200 1.00 0.00 C ATOM 853 C HIS A 57 -6.675 12.214 -6.014 1.00 0.00 C ATOM 854 O HIS A 57 -6.170 12.620 -7.060 1.00 0.00 O ATOM 855 CB HIS A 57 -6.806 14.230 -4.533 1.00 0.00 C ATOM 856 CG HIS A 57 -6.891 15.538 -5.256 1.00 0.00 C ATOM 857 ND1 HIS A 57 -5.763 16.191 -5.691 1.00 0.00 N ATOM 858 CD2 HIS A 57 -7.983 16.269 -5.591 1.00 0.00 C ATOM 859 CE1 HIS A 57 -6.187 17.296 -6.279 1.00 0.00 C ATOM 860 NE2 HIS A 57 -7.524 17.385 -6.242 1.00 0.00 N ATOM 0 H HIS A 57 -8.102 12.580 -3.231 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.337 13.548 -5.879 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.165 14.364 -3.513 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.761 13.929 -4.466 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.014 16.020 -5.385 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.540 18.033 -6.731 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.092 18.140 -6.626 1.00 0.00 H new ATOM 868 N MET A 58 -6.449 10.995 -5.528 1.00 0.00 N ATOM 869 CA MET A 58 -5.571 10.049 -6.213 1.00 0.00 C ATOM 870 C MET A 58 -6.256 9.431 -7.429 1.00 0.00 C ATOM 871 O MET A 58 -5.753 9.544 -8.548 1.00 0.00 O ATOM 872 CB MET A 58 -5.102 8.960 -5.245 1.00 0.00 C ATOM 873 CG MET A 58 -4.134 9.477 -4.193 1.00 0.00 C ATOM 874 SD MET A 58 -2.473 9.738 -4.841 1.00 0.00 S ATOM 875 CE MET A 58 -2.419 11.527 -4.929 1.00 0.00 C ATOM 0 H MET A 58 -6.861 10.640 -4.665 1.00 0.00 H new ATOM 0 HA MET A 58 -4.700 10.599 -6.570 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.969 8.524 -4.750 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.623 8.161 -5.810 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.512 10.415 -3.787 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.089 8.767 -3.367 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.735 11.832 -5.721 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.416 11.911 -5.144 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.073 11.928 -3.976 1.00 0.00 H new ATOM 885 N LEU A 59 -7.410 8.795 -7.226 1.00 0.00 N ATOM 886 CA LEU A 59 -8.136 8.198 -8.346 1.00 0.00 C ATOM 887 C LEU A 59 -8.657 9.282 -9.280 1.00 0.00 C ATOM 888 O LEU A 59 -9.135 8.999 -10.379 1.00 0.00 O ATOM 889 CB LEU A 59 -9.266 7.263 -7.889 1.00 0.00 C ATOM 890 CG LEU A 59 -10.303 7.816 -6.903 1.00 0.00 C ATOM 891 CD1 LEU A 59 -9.730 7.916 -5.499 1.00 0.00 C ATOM 892 CD2 LEU A 59 -10.871 9.153 -7.355 1.00 0.00 C ATOM 0 H LEU A 59 -7.855 8.681 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.429 7.575 -8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.798 6.923 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.809 6.384 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.130 7.106 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.489 8.311 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.422 6.927 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.867 8.582 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.600 9.504 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.064 9.881 -7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.356 9.033 -8.324 1.00 0.00 H new ATOM 904 N GLU A 60 -8.528 10.528 -8.840 1.00 0.00 N ATOM 905 CA GLU A 60 -8.964 11.668 -9.630 1.00 0.00 C ATOM 906 C GLU A 60 -7.778 12.298 -10.361 1.00 0.00 C ATOM 907 O GLU A 60 -7.953 13.047 -11.322 1.00 0.00 O ATOM 908 CB GLU A 60 -9.645 12.700 -8.724 1.00 0.00 C ATOM 909 CG GLU A 60 -9.933 14.030 -9.401 1.00 0.00 C ATOM 910 CD GLU A 60 -11.413 14.263 -9.632 1.00 0.00 C ATOM 911 OE1 GLU A 60 -12.222 13.832 -8.782 1.00 0.00 O ATOM 912 OE2 GLU A 60 -11.764 14.874 -10.663 1.00 0.00 O ATOM 0 H GLU A 60 -8.123 10.773 -7.936 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.681 11.326 -10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.582 12.282 -8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.012 12.877 -7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.534 14.838 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.410 14.067 -10.357 1.00 0.00 H new ATOM 919 N SER A 61 -6.568 11.960 -9.917 1.00 0.00 N ATOM 920 CA SER A 61 -5.355 12.494 -10.525 1.00 0.00 C ATOM 921 C SER A 61 -4.443 11.375 -11.023 1.00 0.00 C ATOM 922 O SER A 61 -3.546 10.934 -10.309 1.00 0.00 O ATOM 923 CB SER A 61 -4.597 13.365 -9.520 1.00 0.00 C ATOM 924 OG SER A 61 -3.858 14.379 -10.180 1.00 0.00 O ATOM 0 H SER A 61 -6.404 11.320 -9.140 1.00 0.00 H new ATOM 0 HA SER A 61 -5.653 13.100 -11.380 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.302 13.819 -8.823 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.922 12.743 -8.931 1.00 0.00 H new ATOM 0 HG SER A 61 -3.651 15.098 -9.547 1.00 0.00 H new ATOM 930 N PRO A 62 -4.642 10.918 -12.272 1.00 0.00 N ATOM 931 CA PRO A 62 -3.814 9.861 -12.862 1.00 0.00 C ATOM 932 C PRO A 62 -2.344 10.262 -12.931 1.00 0.00 C ATOM 933 O PRO A 62 -1.453 9.416 -12.842 1.00 0.00 O ATOM 934 CB PRO A 62 -4.388 9.689 -14.273 1.00 0.00 C ATOM 935 CG PRO A 62 -5.756 10.277 -14.211 1.00 0.00 C ATOM 936 CD PRO A 62 -5.680 11.389 -13.204 1.00 0.00 C ATOM 0 HA PRO A 62 -3.840 8.946 -12.270 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.773 10.200 -15.014 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.424 8.638 -14.559 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.064 10.654 -15.186 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.490 9.529 -13.912 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.406 12.336 -13.668 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.634 11.544 -12.701 1.00 0.00 H new ATOM 944 N GLU A 63 -2.097 11.558 -13.103 1.00 0.00 N ATOM 945 CA GLU A 63 -0.736 12.078 -13.193 1.00 0.00 C ATOM 946 C GLU A 63 -0.085 12.179 -11.818 1.00 0.00 C ATOM 947 O GLU A 63 1.038 11.717 -11.618 1.00 0.00 O ATOM 948 CB GLU A 63 -0.740 13.453 -13.865 1.00 0.00 C ATOM 949 CG GLU A 63 -1.595 13.518 -15.120 1.00 0.00 C ATOM 950 CD GLU A 63 -0.795 13.277 -16.386 1.00 0.00 C ATOM 951 OE1 GLU A 63 0.426 13.536 -16.375 1.00 0.00 O ATOM 952 OE2 GLU A 63 -1.391 12.828 -17.388 1.00 0.00 O ATOM 0 H GLU A 63 -2.824 12.269 -13.183 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.153 11.380 -13.794 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.100 14.195 -13.152 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.284 13.726 -14.119 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.391 12.776 -15.051 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.074 14.495 -15.178 1.00 0.00 H new ATOM 959 N SER A 64 -0.789 12.802 -10.877 1.00 0.00 N ATOM 960 CA SER A 64 -0.265 12.992 -9.529 1.00 0.00 C ATOM 961 C SER A 64 -0.175 11.671 -8.775 1.00 0.00 C ATOM 962 O SER A 64 0.877 11.317 -8.241 1.00 0.00 O ATOM 963 CB SER A 64 -1.155 13.965 -8.750 1.00 0.00 C ATOM 964 OG SER A 64 -1.081 15.271 -9.295 1.00 0.00 O ATOM 0 H SER A 64 -1.724 13.184 -11.024 1.00 0.00 H new ATOM 0 HA SER A 64 0.740 13.405 -9.619 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.187 13.616 -8.772 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.848 13.986 -7.704 1.00 0.00 H new ATOM 0 HG SER A 64 -1.659 15.873 -8.781 1.00 0.00 H new ATOM 970 N LEU A 65 -1.289 10.952 -8.729 1.00 0.00 N ATOM 971 CA LEU A 65 -1.364 9.687 -8.011 1.00 0.00 C ATOM 972 C LEU A 65 -0.335 8.684 -8.528 1.00 0.00 C ATOM 973 O LEU A 65 0.524 8.240 -7.769 1.00 0.00 O ATOM 974 CB LEU A 65 -2.792 9.123 -8.111 1.00 0.00 C ATOM 975 CG LEU A 65 -2.993 7.626 -7.796 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.909 6.799 -9.068 1.00 0.00 C ATOM 977 CD2 LEU A 65 -2.012 7.109 -6.750 1.00 0.00 C ATOM 0 H LEU A 65 -2.159 11.227 -9.184 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.127 9.868 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.428 9.696 -7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.155 9.305 -9.123 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.990 7.522 -7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.053 5.746 -8.827 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.684 7.122 -9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.930 6.936 -9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.199 6.051 -6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.992 7.240 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.142 7.666 -5.822 1.00 0.00 H new ATOM 989 N ARG A 66 -0.443 8.294 -9.793 1.00 0.00 N ATOM 990 CA ARG A 66 0.470 7.299 -10.349 1.00 0.00 C ATOM 991 C ARG A 66 1.922 7.662 -10.052 1.00 0.00 C ATOM 992 O ARG A 66 2.748 6.786 -9.797 1.00 0.00 O ATOM 993 CB ARG A 66 0.262 7.143 -11.853 1.00 0.00 C ATOM 994 CG ARG A 66 0.407 5.705 -12.330 1.00 0.00 C ATOM 995 CD ARG A 66 1.492 5.574 -13.385 1.00 0.00 C ATOM 996 NE ARG A 66 2.830 5.581 -12.798 1.00 0.00 N ATOM 997 CZ ARG A 66 3.516 4.480 -12.509 1.00 0.00 C ATOM 998 NH1 ARG A 66 2.994 3.285 -12.752 1.00 0.00 N ATOM 999 NH2 ARG A 66 4.727 4.573 -11.976 1.00 0.00 N ATOM 0 H ARG A 66 -1.143 8.645 -10.446 1.00 0.00 H new ATOM 0 HA ARG A 66 0.248 6.345 -9.870 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.731 7.508 -12.116 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.982 7.769 -12.380 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.643 5.062 -11.482 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.542 5.359 -12.738 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.346 4.649 -13.943 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.405 6.393 -14.098 1.00 0.00 H new ATOM 0 HE ARG A 66 3.263 6.483 -12.599 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.063 3.209 -13.162 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.523 2.442 -12.529 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.132 5.490 -11.788 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.253 3.728 -11.754 1.00 0.00 H new ATOM 1013 N SER A 67 2.222 8.957 -10.063 1.00 0.00 N ATOM 1014 CA SER A 67 3.565 9.430 -9.753 1.00 0.00 C ATOM 1015 C SER A 67 3.866 9.216 -8.274 1.00 0.00 C ATOM 1016 O SER A 67 4.992 8.885 -7.893 1.00 0.00 O ATOM 1017 CB SER A 67 3.704 10.911 -10.106 1.00 0.00 C ATOM 1018 OG SER A 67 4.754 11.119 -11.034 1.00 0.00 O ATOM 0 H SER A 67 1.554 9.696 -10.283 1.00 0.00 H new ATOM 0 HA SER A 67 4.280 8.861 -10.348 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.767 11.277 -10.525 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.895 11.487 -9.201 1.00 0.00 H new ATOM 0 HG SER A 67 4.820 12.074 -11.244 1.00 0.00 H new ATOM 1024 N LYS A 68 2.842 9.392 -7.446 1.00 0.00 N ATOM 1025 CA LYS A 68 2.974 9.207 -6.008 1.00 0.00 C ATOM 1026 C LYS A 68 3.250 7.745 -5.677 1.00 0.00 C ATOM 1027 O LYS A 68 4.231 7.424 -5.006 1.00 0.00 O ATOM 1028 CB LYS A 68 1.704 9.681 -5.297 1.00 0.00 C ATOM 1029 CG LYS A 68 1.963 10.215 -3.898 1.00 0.00 C ATOM 1030 CD LYS A 68 1.214 9.418 -2.845 1.00 0.00 C ATOM 1031 CE LYS A 68 -0.120 10.061 -2.513 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.044 11.433 -1.956 1.00 0.00 N ATOM 0 H LYS A 68 1.907 9.664 -7.750 1.00 0.00 H new ATOM 0 HA LYS A 68 3.817 9.803 -5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.231 10.460 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.998 8.852 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.032 10.181 -3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.661 11.261 -3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.051 8.401 -3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.820 9.345 -1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.734 10.106 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.653 9.439 -1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.410 11.485 -1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.057 11.651 -1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.400 12.123 -2.595 1.00 0.00 H new ATOM 1046 N VAL A 69 2.388 6.860 -6.169 1.00 0.00 N ATOM 1047 CA VAL A 69 2.553 5.429 -5.954 1.00 0.00 C ATOM 1048 C VAL A 69 3.779 4.918 -6.706 1.00 0.00 C ATOM 1049 O VAL A 69 4.330 3.865 -6.379 1.00 0.00 O ATOM 1050 CB VAL A 69 1.295 4.646 -6.384 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.578 3.156 -6.476 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.157 4.908 -5.413 1.00 0.00 C ATOM 0 H VAL A 69 1.567 7.111 -6.720 1.00 0.00 H new ATOM 0 HA VAL A 69 2.699 5.266 -4.886 1.00 0.00 H new ATOM 0 HB VAL A 69 1.003 4.993 -7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.672 2.632 -6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.364 2.980 -7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.901 2.786 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.725 4.350 -5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.451 4.589 -4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.073 5.973 -5.401 1.00 0.00 H new ATOM 1062 N ASP A 70 4.232 5.688 -7.693 1.00 0.00 N ATOM 1063 CA ASP A 70 5.438 5.334 -8.428 1.00 0.00 C ATOM 1064 C ASP A 70 6.587 5.160 -7.446 1.00 0.00 C ATOM 1065 O ASP A 70 7.284 4.146 -7.453 1.00 0.00 O ATOM 1066 CB ASP A 70 5.780 6.414 -9.457 1.00 0.00 C ATOM 1067 CG ASP A 70 7.042 6.095 -10.234 1.00 0.00 C ATOM 1068 OD1 ASP A 70 7.253 4.909 -10.564 1.00 0.00 O ATOM 1069 OD2 ASP A 70 7.818 7.031 -10.514 1.00 0.00 O ATOM 0 H ASP A 70 3.785 6.553 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 70 5.270 4.399 -8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.948 6.526 -10.152 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.902 7.370 -8.949 1.00 0.00 H new ATOM 1074 N GLU A 71 6.741 6.138 -6.561 1.00 0.00 N ATOM 1075 CA GLU A 71 7.752 6.062 -5.520 1.00 0.00 C ATOM 1076 C GLU A 71 7.376 4.981 -4.516 1.00 0.00 C ATOM 1077 O GLU A 71 8.237 4.403 -3.856 1.00 0.00 O ATOM 1078 CB GLU A 71 7.897 7.403 -4.804 1.00 0.00 C ATOM 1079 CG GLU A 71 9.135 7.485 -3.929 1.00 0.00 C ATOM 1080 CD GLU A 71 10.082 8.590 -4.358 1.00 0.00 C ATOM 1081 OE1 GLU A 71 9.734 9.775 -4.173 1.00 0.00 O ATOM 1082 OE2 GLU A 71 11.172 8.268 -4.878 1.00 0.00 O ATOM 0 H GLU A 71 6.179 6.989 -6.545 1.00 0.00 H new ATOM 0 HA GLU A 71 8.707 5.814 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.931 8.201 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.014 7.576 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.834 7.651 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.660 6.530 -3.959 1.00 0.00 H new ATOM 1089 N ALA A 72 6.077 4.716 -4.412 1.00 0.00 N ATOM 1090 CA ALA A 72 5.567 3.705 -3.496 1.00 0.00 C ATOM 1091 C ALA A 72 6.129 2.329 -3.836 1.00 0.00 C ATOM 1092 O ALA A 72 6.616 1.622 -2.957 1.00 0.00 O ATOM 1093 CB ALA A 72 4.050 3.695 -3.508 1.00 0.00 C ATOM 0 H ALA A 72 5.356 5.191 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 72 5.897 3.957 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.686 2.934 -2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.677 4.672 -3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.696 3.472 -4.514 1.00 0.00 H new ATOM 1099 N VAL A 73 6.081 1.953 -5.115 1.00 0.00 N ATOM 1100 CA VAL A 73 6.654 0.679 -5.534 1.00 0.00 C ATOM 1101 C VAL A 73 8.140 0.668 -5.210 1.00 0.00 C ATOM 1102 O VAL A 73 8.725 -0.379 -4.929 1.00 0.00 O ATOM 1103 CB VAL A 73 6.451 0.396 -7.040 1.00 0.00 C ATOM 1104 CG1 VAL A 73 5.000 0.620 -7.452 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.396 1.238 -7.884 1.00 0.00 C ATOM 0 H VAL A 73 5.659 2.502 -5.864 1.00 0.00 H new ATOM 0 HA VAL A 73 6.133 -0.108 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 73 6.687 -0.653 -7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.888 0.413 -8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.353 -0.047 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.721 1.654 -7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.233 1.020 -8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.206 2.295 -7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.427 1.003 -7.620 1.00 0.00 H new ATOM 1115 N ALA A 74 8.731 1.861 -5.202 1.00 0.00 N ATOM 1116 CA ALA A 74 10.144 2.019 -4.887 1.00 0.00 C ATOM 1117 C ALA A 74 10.408 1.774 -3.403 1.00 0.00 C ATOM 1118 O ALA A 74 11.489 1.323 -3.027 1.00 0.00 O ATOM 1119 CB ALA A 74 10.626 3.404 -5.293 1.00 0.00 C ATOM 0 H ALA A 74 8.248 2.735 -5.412 1.00 0.00 H new ATOM 0 HA ALA A 74 10.702 1.274 -5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.684 3.507 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.484 3.539 -6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.056 4.160 -4.754 1.00 0.00 H new ATOM 1125 N VAL A 75 9.420 2.077 -2.559 1.00 0.00 N ATOM 1126 CA VAL A 75 9.567 1.872 -1.118 1.00 0.00 C ATOM 1127 C VAL A 75 9.605 0.382 -0.792 1.00 0.00 C ATOM 1128 O VAL A 75 10.331 -0.049 0.103 1.00 0.00 O ATOM 1129 CB VAL A 75 8.442 2.561 -0.303 1.00 0.00 C ATOM 1130 CG1 VAL A 75 7.985 3.839 -0.987 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.262 1.625 -0.071 1.00 0.00 C ATOM 0 H VAL A 75 8.519 2.461 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 75 10.511 2.334 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 75 8.856 2.819 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.196 4.305 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.827 4.526 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.605 3.604 -1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.494 2.143 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.850 1.315 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.597 0.747 0.481 1.00 0.00 H new ATOM 1141 N LEU A 76 8.824 -0.397 -1.533 1.00 0.00 N ATOM 1142 CA LEU A 76 8.764 -1.838 -1.335 1.00 0.00 C ATOM 1143 C LEU A 76 10.045 -2.508 -1.818 1.00 0.00 C ATOM 1144 O LEU A 76 10.696 -3.236 -1.068 1.00 0.00 O ATOM 1145 CB LEU A 76 7.565 -2.420 -2.078 1.00 0.00 C ATOM 1146 CG LEU A 76 7.619 -3.930 -2.302 1.00 0.00 C ATOM 1147 CD1 LEU A 76 6.434 -4.601 -1.634 1.00 0.00 C ATOM 1148 CD2 LEU A 76 7.652 -4.244 -3.789 1.00 0.00 C ATOM 0 H LEU A 76 8.221 -0.051 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 76 8.655 -2.030 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.660 -2.182 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.481 -1.926 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 76 8.532 -4.320 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.484 -5.677 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.457 -4.398 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.509 -4.211 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.690 -5.324 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.755 -3.847 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.534 -3.787 -4.238 1.00 0.00 H new ATOM 1160 N GLN A 77 10.382 -2.283 -3.084 1.00 0.00 N ATOM 1161 CA GLN A 77 11.586 -2.861 -3.669 1.00 0.00 C ATOM 1162 C GLN A 77 12.797 -2.547 -2.804 1.00 0.00 C ATOM 1163 O GLN A 77 13.687 -3.379 -2.629 1.00 0.00 O ATOM 1164 CB GLN A 77 11.791 -2.329 -5.088 1.00 0.00 C ATOM 1165 CG GLN A 77 11.999 -0.826 -5.164 1.00 0.00 C ATOM 1166 CD GLN A 77 13.463 -0.435 -5.127 1.00 0.00 C ATOM 1167 OE1 GLN A 77 14.304 -1.225 -5.785 1.00 0.00 O flip ATOM 1168 NE2 GLN A 77 13.834 0.567 -4.515 1.00 0.00 N flip ATOM 0 H GLN A 77 9.838 -1.704 -3.724 1.00 0.00 H new ATOM 0 HA GLN A 77 11.467 -3.943 -3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.654 -2.827 -5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.925 -2.596 -5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.549 -0.447 -6.082 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.479 -0.349 -4.333 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.153 1.145 -4.023 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.822 0.819 -4.500 1.00 0.00 H new ATOM 1177 N ALA A 78 12.798 -1.349 -2.237 1.00 0.00 N ATOM 1178 CA ALA A 78 13.875 -0.918 -1.354 1.00 0.00 C ATOM 1179 C ALA A 78 13.681 -1.482 0.051 1.00 0.00 C ATOM 1180 O ALA A 78 14.640 -1.631 0.809 1.00 0.00 O ATOM 1181 CB ALA A 78 13.951 0.601 -1.312 1.00 0.00 C ATOM 0 H ALA A 78 12.063 -0.655 -2.373 1.00 0.00 H new ATOM 0 HA ALA A 78 14.816 -1.302 -1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.760 0.907 -0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.140 0.984 -2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.007 1.002 -0.942 1.00 0.00 H new ATOM 1187 N HIS A 79 12.432 -1.796 0.390 1.00 0.00 N ATOM 1188 CA HIS A 79 12.110 -2.352 1.700 1.00 0.00 C ATOM 1189 C HIS A 79 12.744 -3.727 1.873 1.00 0.00 C ATOM 1190 O HIS A 79 13.492 -3.960 2.821 1.00 0.00 O ATOM 1191 CB HIS A 79 10.591 -2.447 1.887 1.00 0.00 C ATOM 1192 CG HIS A 79 10.183 -2.897 3.256 1.00 0.00 C ATOM 1193 ND1 HIS A 79 10.537 -2.187 4.379 1.00 0.00 N ATOM 1194 CD2 HIS A 79 9.457 -3.981 3.627 1.00 0.00 C ATOM 1195 CE1 HIS A 79 10.024 -2.848 5.402 1.00 0.00 C ATOM 1196 NE2 HIS A 79 9.363 -3.940 4.994 1.00 0.00 N ATOM 0 H HIS A 79 11.628 -1.674 -0.225 1.00 0.00 H new ATOM 0 HA HIS A 79 12.516 -1.683 2.459 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.147 -1.472 1.687 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.185 -3.140 1.150 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.035 -4.730 2.973 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.125 -2.547 6.434 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.881 -4.614 5.589 1.00 0.00 H new ATOM 1538 N ASN B 5 9.775 6.702 1.753 1.00 0.00 N ATOM 1539 CA ASN B 5 9.864 7.904 0.929 1.00 0.00 C ATOM 1540 C ASN B 5 8.617 8.770 1.075 1.00 0.00 C ATOM 1541 O ASN B 5 8.680 9.879 1.607 1.00 0.00 O ATOM 1542 CB ASN B 5 10.062 7.523 -0.539 1.00 0.00 C ATOM 1543 CG ASN B 5 11.383 6.820 -0.781 1.00 0.00 C ATOM 1544 OD1 ASN B 5 11.365 5.492 -0.726 1.00 0.00 O flip ATOM 1545 ND2 ASN B 5 12.408 7.460 -1.015 1.00 0.00 N flip ATOM 0 HA ASN B 5 10.722 8.482 1.272 1.00 0.00 H new ATOM 0 HB2 ASN B 5 9.245 6.875 -0.857 1.00 0.00 H new ATOM 0 HB3 ASN B 5 10.014 8.421 -1.154 1.00 0.00 H new ATOM 0 HD21 ASN B 5 12.377 8.479 -1.048 1.00 0.00 H new ATOM 0 HD22 ASN B 5 13.289 6.971 -1.176 1.00 0.00 H new ATOM 1552 N LEU B 6 7.485 8.262 0.592 1.00 0.00 N ATOM 1553 CA LEU B 6 6.227 8.998 0.659 1.00 0.00 C ATOM 1554 C LEU B 6 5.817 9.249 2.106 1.00 0.00 C ATOM 1555 O LEU B 6 5.908 10.373 2.601 1.00 0.00 O ATOM 1556 CB LEU B 6 5.120 8.226 -0.069 1.00 0.00 C ATOM 1557 CG LEU B 6 4.252 9.055 -1.025 1.00 0.00 C ATOM 1558 CD1 LEU B 6 3.835 10.371 -0.381 1.00 0.00 C ATOM 1559 CD2 LEU B 6 4.987 9.308 -2.333 1.00 0.00 C ATOM 0 H LEU B 6 7.414 7.345 0.151 1.00 0.00 H new ATOM 0 HA LEU B 6 6.374 9.961 0.170 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.579 7.415 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.471 7.767 0.677 1.00 0.00 H new ATOM 0 HG LEU B 6 3.349 8.484 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.221 10.939 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.262 10.168 0.524 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.723 10.949 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.355 9.897 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU B 6 5.910 9.853 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.224 8.356 -2.808 1.00 0.00 H new ATOM 1571 N ASN B 7 5.363 8.197 2.779 1.00 0.00 N ATOM 1572 CA ASN B 7 4.931 8.305 4.168 1.00 0.00 C ATOM 1573 C ASN B 7 6.086 8.041 5.126 1.00 0.00 C ATOM 1574 O ASN B 7 6.756 7.014 5.028 1.00 0.00 O ATOM 1575 CB ASN B 7 3.807 7.312 4.454 1.00 0.00 C ATOM 1576 CG ASN B 7 2.741 7.889 5.364 1.00 0.00 C ATOM 1577 OD1 ASN B 7 2.941 7.749 6.669 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 1.750 8.453 4.900 1.00 0.00 N flip ATOM 0 H ASN B 7 5.285 7.259 2.385 1.00 0.00 H new ATOM 0 HA ASN B 7 4.571 9.322 4.322 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.350 7.005 3.513 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.226 6.416 4.913 1.00 0.00 H new ATOM 0 HD21 ASN B 7 1.638 8.538 3.890 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.041 8.836 5.526 1.00 0.00 H new ATOM 1585 N PRO B 8 6.315 8.945 6.094 1.00 0.00 N ATOM 1586 CA PRO B 8 7.374 8.775 7.084 1.00 0.00 C ATOM 1587 C PRO B 8 6.978 7.783 8.172 1.00 0.00 C ATOM 1588 O PRO B 8 7.752 7.504 9.089 1.00 0.00 O ATOM 1589 CB PRO B 8 7.534 10.177 7.666 1.00 0.00 C ATOM 1590 CG PRO B 8 6.179 10.788 7.543 1.00 0.00 C ATOM 1591 CD PRO B 8 5.556 10.195 6.304 1.00 0.00 C ATOM 0 HA PRO B 8 8.290 8.375 6.650 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.860 10.141 8.705 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.280 10.752 7.118 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.574 10.572 8.424 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.248 11.873 7.462 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.493 9.999 6.445 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.646 10.866 5.450 1.00 0.00 H new ATOM 1599 N ASN B 9 5.759 7.262 8.064 1.00 0.00 N ATOM 1600 CA ASN B 9 5.246 6.296 9.028 1.00 0.00 C ATOM 1601 C ASN B 9 4.819 5.010 8.327 1.00 0.00 C ATOM 1602 O ASN B 9 3.687 4.554 8.476 1.00 0.00 O ATOM 1603 CB ASN B 9 4.061 6.890 9.792 1.00 0.00 C ATOM 1604 CG ASN B 9 4.385 8.238 10.405 1.00 0.00 C ATOM 1605 OD1 ASN B 9 3.778 9.252 10.059 1.00 0.00 O ATOM 1606 ND2 ASN B 9 5.348 8.258 11.319 1.00 0.00 N ATOM 0 H ASN B 9 5.107 7.494 7.315 1.00 0.00 H new ATOM 0 HA ASN B 9 6.043 6.060 9.733 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.213 6.996 9.116 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.757 6.200 10.579 1.00 0.00 H new ATOM 0 HD21 ASN B 9 5.611 9.137 11.764 1.00 0.00 H new ATOM 0 HD22 ASN B 9 5.825 7.394 11.576 1.00 0.00 H new ATOM 1613 N ALA B 10 5.723 4.456 7.526 1.00 0.00 N ATOM 1614 CA ALA B 10 5.447 3.230 6.785 1.00 0.00 C ATOM 1615 C ALA B 10 5.124 2.062 7.716 1.00 0.00 C ATOM 1616 O ALA B 10 6.026 1.405 8.237 1.00 0.00 O ATOM 1617 CB ALA B 10 6.630 2.884 5.893 1.00 0.00 C ATOM 0 H ALA B 10 6.656 4.838 7.373 1.00 0.00 H new ATOM 0 HA ALA B 10 4.567 3.406 6.167 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.416 1.967 5.343 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.804 3.697 5.188 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.519 2.739 6.507 1.00 0.00 H new ATOM 1623 N LYS B 11 3.833 1.789 7.900 1.00 0.00 N ATOM 1624 CA LYS B 11 3.394 0.674 8.739 1.00 0.00 C ATOM 1625 C LYS B 11 2.529 -0.293 7.935 1.00 0.00 C ATOM 1626 O LYS B 11 1.721 0.129 7.113 1.00 0.00 O ATOM 1627 CB LYS B 11 2.612 1.183 9.952 1.00 0.00 C ATOM 1628 CG LYS B 11 3.121 2.504 10.499 1.00 0.00 C ATOM 1629 CD LYS B 11 4.010 2.302 11.715 1.00 0.00 C ATOM 1630 CE LYS B 11 3.541 3.135 12.897 1.00 0.00 C ATOM 1631 NZ LYS B 11 3.796 4.588 12.691 1.00 0.00 N ATOM 0 H LYS B 11 3.073 2.324 7.480 1.00 0.00 H new ATOM 0 HA LYS B 11 4.281 0.148 9.090 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.564 1.295 9.676 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.655 0.433 10.741 1.00 0.00 H new ATOM 0 HG2 LYS B 11 3.679 3.029 9.723 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.275 3.137 10.767 1.00 0.00 H new ATOM 0 HD2 LYS B 11 4.015 1.248 11.992 1.00 0.00 H new ATOM 0 HD3 LYS B 11 5.036 2.571 11.465 1.00 0.00 H new ATOM 0 HE2 LYS B 11 2.475 2.973 13.055 1.00 0.00 H new ATOM 0 HE3 LYS B 11 4.051 2.802 13.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 3.888 5.059 13.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 4.675 4.713 12.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 3.003 5.009 12.166 1.00 0.00 H new ATOM 1645 N GLU B 12 2.702 -1.588 8.185 1.00 0.00 N ATOM 1646 CA GLU B 12 1.954 -2.625 7.473 1.00 0.00 C ATOM 1647 C GLU B 12 0.451 -2.350 7.475 1.00 0.00 C ATOM 1648 O GLU B 12 -0.051 -1.580 8.295 1.00 0.00 O ATOM 1649 CB GLU B 12 2.220 -3.991 8.109 1.00 0.00 C ATOM 1650 CG GLU B 12 3.471 -4.676 7.588 1.00 0.00 C ATOM 1651 CD GLU B 12 4.690 -4.406 8.449 1.00 0.00 C ATOM 1652 OE1 GLU B 12 4.639 -3.470 9.275 1.00 0.00 O ATOM 1653 OE2 GLU B 12 5.697 -5.130 8.297 1.00 0.00 O ATOM 0 H GLU B 12 3.357 -1.948 8.879 1.00 0.00 H new ATOM 0 HA GLU B 12 2.296 -2.620 6.438 1.00 0.00 H new ATOM 0 HB2 GLU B 12 2.307 -3.868 9.189 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.361 -4.638 7.930 1.00 0.00 H new ATOM 0 HG2 GLU B 12 3.297 -5.751 7.539 1.00 0.00 H new ATOM 0 HG3 GLU B 12 3.668 -4.338 6.571 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.266 -3.014 6.567 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.719 -2.886 6.484 1.00 0.00 C ATOM 1662 C PHE B 13 -2.374 -3.901 7.406 1.00 0.00 C ATOM 1663 O PHE B 13 -2.753 -4.992 6.979 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.196 -3.098 5.039 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.582 -2.577 4.745 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.324 -1.915 5.715 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -4.143 -2.755 3.487 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.591 -1.437 5.432 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.407 -2.276 3.201 1.00 0.00 C ATOM 1670 CZ PHE B 13 -6.129 -1.617 4.174 1.00 0.00 C ATOM 0 H PHE B 13 0.139 -3.647 5.877 1.00 0.00 H new ATOM 0 HA PHE B 13 -2.004 -1.881 6.796 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.491 -2.613 4.364 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.169 -4.165 4.816 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.907 -1.772 6.701 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.584 -3.274 2.723 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.158 -0.924 6.194 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.829 -2.417 2.217 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.117 -1.241 3.951 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.791 2.556 9.557 1.00 0.00 N ATOM 1734 CA LYS B 18 -9.266 3.736 8.880 1.00 0.00 C ATOM 1735 C LYS B 18 -7.905 4.126 9.448 1.00 0.00 C ATOM 1736 O LYS B 18 -7.818 4.811 10.467 1.00 0.00 O ATOM 1737 CB LYS B 18 -10.242 4.907 9.014 1.00 0.00 C ATOM 1738 CG LYS B 18 -11.702 4.500 8.896 1.00 0.00 C ATOM 1739 CD LYS B 18 -12.381 4.466 10.255 1.00 0.00 C ATOM 1740 CE LYS B 18 -13.879 4.698 10.133 1.00 0.00 C ATOM 1741 NZ LYS B 18 -14.188 5.981 9.445 1.00 0.00 N ATOM 0 HA LYS B 18 -9.145 3.494 7.824 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -10.085 5.391 9.978 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.017 5.647 8.246 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.225 5.200 8.244 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -11.771 3.518 8.429 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.198 3.503 10.731 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.945 5.228 10.901 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.330 3.873 9.582 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -14.328 4.701 11.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.937 6.482 9.964 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.333 6.573 9.414 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -14.510 5.786 8.475 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.848 3.678 8.781 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.488 3.964 9.215 1.00 0.00 C ATOM 1757 C TYR B 19 -5.055 5.358 8.772 1.00 0.00 C ATOM 1758 O TYR B 19 -4.683 5.565 7.616 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.527 2.910 8.656 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.274 2.705 9.483 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -3.213 3.097 10.817 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.154 2.099 8.928 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -2.070 2.901 11.566 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -1.008 1.899 9.672 1.00 0.00 C ATOM 1765 CZ TYR B 19 -0.971 2.301 10.990 1.00 0.00 C ATOM 1766 OH TYR B 19 0.171 2.103 11.732 1.00 0.00 O ATOM 0 H TYR B 19 -6.908 3.113 7.934 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.462 3.930 10.304 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.055 1.960 8.577 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.238 3.199 7.646 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.074 3.562 11.274 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -2.180 1.779 7.897 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -2.037 3.216 12.598 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.145 1.430 9.223 1.00 0.00 H new ATOM 0 HH TYR B 19 0.464 1.172 11.640 1.00 0.00 H new