USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 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 Single : A 5 THR OG1 : rot 17:sc= 0.682 USER MOD Single : A 7 GLN : amide:sc=-0.00818 X(o=-0.0082,f=-0.15) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 104:sc= 1.18 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.18) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 38 TYR OH : rot 30:sc= -0.579 USER MOD Single : A 41 HIS : no HD1:sc= -2 K(o=-2,f=-3.9) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 85:sc= 0.00377 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0623 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.614 -6.863 -5.919 1.00 14.40 N ATOM 60 CA THR A 5 8.198 -6.537 -5.789 1.00 35.40 C ATOM 61 C THR A 5 7.825 -6.299 -4.330 1.00 14.10 C ATOM 62 O THR A 5 6.990 -5.449 -4.023 1.00 33.20 O ATOM 63 CB THR A 5 7.341 -7.663 -6.371 1.00 2.12 C ATOM 64 OG1 THR A 5 8.036 -8.342 -7.402 1.00 31.30 O ATOM 65 CG2 THR A 5 6.026 -7.178 -6.944 1.00 61.40 C ATOM 0 HA THR A 5 8.009 -5.619 -6.346 1.00 35.40 H new ATOM 0 HB THR A 5 7.131 -8.329 -5.534 1.00 2.12 H new ATOM 0 HG1 THR A 5 8.991 -8.131 -7.346 1.00 31.30 H new ATOM 0 HG21 THR A 5 5.467 -8.026 -7.340 1.00 61.40 H new ATOM 0 HG22 THR A 5 5.444 -6.694 -6.160 1.00 61.40 H new ATOM 0 HG23 THR A 5 6.219 -6.465 -7.745 1.00 61.40 H new ATOM 73 N LEU A 6 8.448 -7.058 -3.433 1.00 41.20 N ATOM 74 CA LEU A 6 8.181 -6.930 -2.005 1.00 55.00 C ATOM 75 C LEU A 6 8.813 -5.660 -1.443 1.00 2.05 C ATOM 76 O LEU A 6 8.235 -4.993 -0.586 1.00 13.00 O ATOM 77 CB LEU A 6 8.710 -8.154 -1.255 1.00 52.10 C ATOM 78 CG LEU A 6 7.715 -9.307 -1.114 1.00 61.20 C ATOM 79 CD1 LEU A 6 6.508 -8.873 -0.297 1.00 51.50 C ATOM 80 CD2 LEU A 6 7.284 -9.806 -2.484 1.00 54.10 C ATOM 0 H LEU A 6 9.141 -7.768 -3.670 1.00 41.20 H new ATOM 0 HA LEU A 6 7.102 -6.866 -1.867 1.00 55.00 H new ATOM 0 HB2 LEU A 6 9.598 -8.521 -1.770 1.00 52.10 H new ATOM 0 HB3 LEU A 6 9.025 -7.843 -0.259 1.00 52.10 H new ATOM 0 HG LEU A 6 8.206 -10.126 -0.589 1.00 61.20 H new ATOM 0 HD11 LEU A 6 5.811 -9.706 -0.207 1.00 51.50 H new ATOM 0 HD12 LEU A 6 6.833 -8.563 0.696 1.00 51.50 H new ATOM 0 HD13 LEU A 6 6.014 -8.038 -0.794 1.00 51.50 H new ATOM 0 HD21 LEU A 6 6.576 -10.626 -2.366 1.00 54.10 H new ATOM 0 HD22 LEU A 6 6.810 -8.994 -3.034 1.00 54.10 H new ATOM 0 HD23 LEU A 6 8.157 -10.156 -3.035 1.00 54.10 H new ATOM 92 N GLN A 7 10.005 -5.332 -1.934 1.00 74.20 N ATOM 93 CA GLN A 7 10.716 -4.142 -1.479 1.00 1.53 C ATOM 94 C GLN A 7 9.996 -2.874 -1.927 1.00 53.20 C ATOM 95 O GLN A 7 10.014 -1.859 -1.229 1.00 35.00 O ATOM 96 CB GLN A 7 12.149 -4.143 -2.014 1.00 41.40 C ATOM 97 CG GLN A 7 13.152 -3.502 -1.069 1.00 23.30 C ATOM 98 CD GLN A 7 13.728 -4.488 -0.074 1.00 43.10 C ATOM 99 OE1 GLN A 7 14.246 -5.539 -0.452 1.00 21.40 O ATOM 100 NE2 GLN A 7 13.641 -4.154 1.209 1.00 11.00 N ATOM 0 H GLN A 7 10.498 -5.872 -2.645 1.00 74.20 H new ATOM 0 HA GLN A 7 10.742 -4.159 -0.389 1.00 1.53 H new ATOM 0 HB2 GLN A 7 12.454 -5.171 -2.211 1.00 41.40 H new ATOM 0 HB3 GLN A 7 12.172 -3.615 -2.967 1.00 41.40 H new ATOM 0 HG2 GLN A 7 13.963 -3.062 -1.650 1.00 23.30 H new ATOM 0 HG3 GLN A 7 12.668 -2.688 -0.529 1.00 23.30 H new ATOM 0 HE21 GLN A 7 13.203 -3.273 1.478 1.00 11.00 H new ATOM 0 HE22 GLN A 7 14.012 -4.779 1.925 1.00 11.00 H new ATOM 109 N LYS A 8 9.363 -2.937 -3.093 1.00 1.22 N ATOM 110 CA LYS A 8 8.637 -1.794 -3.633 1.00 24.20 C ATOM 111 C LYS A 8 7.354 -1.542 -2.846 1.00 74.20 C ATOM 112 O LYS A 8 6.919 -0.400 -2.698 1.00 20.10 O ATOM 113 CB LYS A 8 8.305 -2.025 -5.109 1.00 0.24 C ATOM 114 CG LYS A 8 9.484 -1.793 -6.041 1.00 73.20 C ATOM 115 CD LYS A 8 9.325 -0.505 -6.835 1.00 75.40 C ATOM 116 CE LYS A 8 9.788 -0.674 -8.274 1.00 11.00 C ATOM 117 NZ LYS A 8 10.877 0.280 -8.621 1.00 61.10 N ATOM 0 H LYS A 8 9.338 -3.769 -3.683 1.00 1.22 H new ATOM 0 HA LYS A 8 9.276 -0.915 -3.544 1.00 24.20 H new ATOM 0 HB2 LYS A 8 7.947 -3.047 -5.237 1.00 0.24 H new ATOM 0 HB3 LYS A 8 7.489 -1.363 -5.397 1.00 0.24 H new ATOM 0 HG2 LYS A 8 10.405 -1.752 -5.460 1.00 73.20 H new ATOM 0 HG3 LYS A 8 9.577 -2.635 -6.727 1.00 73.20 H new ATOM 0 HD2 LYS A 8 8.280 -0.196 -6.822 1.00 75.40 H new ATOM 0 HD3 LYS A 8 9.899 0.290 -6.359 1.00 75.40 H new ATOM 0 HE2 LYS A 8 10.138 -1.695 -8.426 1.00 11.00 H new ATOM 0 HE3 LYS A 8 8.944 -0.523 -8.947 1.00 11.00 H new ATOM 0 HZ1 LYS A 8 11.165 0.133 -9.609 1.00 61.10 H new ATOM 0 HZ2 LYS A 8 10.536 1.255 -8.501 1.00 61.10 H new ATOM 0 HZ3 LYS A 8 11.692 0.119 -7.995 1.00 61.10 H new ATOM 131 N ALA A 9 6.754 -2.616 -2.343 1.00 13.20 N ATOM 132 CA ALA A 9 5.521 -2.511 -1.572 1.00 44.20 C ATOM 133 C ALA A 9 5.792 -1.968 -0.174 1.00 31.20 C ATOM 134 O ALA A 9 5.023 -1.162 0.350 1.00 50.50 O ATOM 135 CB ALA A 9 4.833 -3.865 -1.491 1.00 43.20 C ATOM 0 H ALA A 9 7.102 -3.568 -2.456 1.00 13.20 H new ATOM 0 HA ALA A 9 4.861 -1.810 -2.083 1.00 44.20 H new ATOM 0 HB1 ALA A 9 3.914 -3.772 -0.913 1.00 43.20 H new ATOM 0 HB2 ALA A 9 4.596 -4.213 -2.496 1.00 43.20 H new ATOM 0 HB3 ALA A 9 5.496 -4.582 -1.006 1.00 43.20 H new ATOM 141 N ILE A 10 6.890 -2.416 0.427 1.00 5.32 N ATOM 142 CA ILE A 10 7.262 -1.976 1.766 1.00 74.50 C ATOM 143 C ILE A 10 7.711 -0.518 1.763 1.00 41.10 C ATOM 144 O ILE A 10 7.547 0.194 2.754 1.00 22.40 O ATOM 145 CB ILE A 10 8.390 -2.849 2.352 1.00 30.40 C ATOM 146 CG1 ILE A 10 8.028 -4.331 2.243 1.00 22.10 C ATOM 147 CG2 ILE A 10 8.657 -2.468 3.801 1.00 31.40 C ATOM 148 CD1 ILE A 10 9.224 -5.229 2.011 1.00 52.20 C ATOM 0 H ILE A 10 7.537 -3.083 0.007 1.00 5.32 H new ATOM 0 HA ILE A 10 6.373 -2.077 2.389 1.00 74.50 H new ATOM 0 HB ILE A 10 9.300 -2.674 1.777 1.00 30.40 H new ATOM 0 HG12 ILE A 10 7.522 -4.642 3.157 1.00 22.10 H new ATOM 0 HG13 ILE A 10 7.319 -4.465 1.426 1.00 22.10 H new ATOM 0 HG21 ILE A 10 9.456 -3.093 4.200 1.00 31.40 H new ATOM 0 HG22 ILE A 10 8.955 -1.421 3.853 1.00 31.40 H new ATOM 0 HG23 ILE A 10 7.751 -2.617 4.389 1.00 31.40 H new ATOM 0 HD11 ILE A 10 8.893 -6.265 1.944 1.00 52.20 H new ATOM 0 HD12 ILE A 10 9.718 -4.945 1.082 1.00 52.20 H new ATOM 0 HD13 ILE A 10 9.924 -5.124 2.840 1.00 52.20 H new ATOM 160 N ASP A 11 8.281 -0.081 0.645 1.00 62.30 N ATOM 161 CA ASP A 11 8.755 1.293 0.515 1.00 22.10 C ATOM 162 C ASP A 11 7.598 2.247 0.230 1.00 20.40 C ATOM 163 O ASP A 11 7.634 3.414 0.621 1.00 15.10 O ATOM 164 CB ASP A 11 9.799 1.389 -0.598 1.00 45.20 C ATOM 165 CG ASP A 11 10.993 2.235 -0.200 1.00 43.40 C ATOM 166 OD1 ASP A 11 11.880 1.715 0.509 1.00 54.20 O ATOM 167 OD2 ASP A 11 11.040 3.420 -0.595 1.00 30.10 O ATOM 0 H ASP A 11 8.426 -0.658 -0.184 1.00 62.30 H new ATOM 0 HA ASP A 11 9.213 1.584 1.460 1.00 22.10 H new ATOM 0 HB2 ASP A 11 10.139 0.387 -0.861 1.00 45.20 H new ATOM 0 HB3 ASP A 11 9.337 1.814 -1.490 1.00 45.20 H new ATOM 172 N LEU A 12 6.576 1.744 -0.453 1.00 21.20 N ATOM 173 CA LEU A 12 5.410 2.554 -0.790 1.00 34.10 C ATOM 174 C LEU A 12 4.548 2.808 0.443 1.00 44.00 C ATOM 175 O LEU A 12 3.936 3.869 0.575 1.00 75.20 O ATOM 176 CB LEU A 12 4.581 1.862 -1.875 1.00 75.30 C ATOM 177 CG LEU A 12 4.852 2.344 -3.301 1.00 41.20 C ATOM 178 CD1 LEU A 12 4.436 3.798 -3.461 1.00 32.20 C ATOM 179 CD2 LEU A 12 6.322 2.165 -3.653 1.00 33.30 C ATOM 0 H LEU A 12 6.531 0.780 -0.784 1.00 21.20 H new ATOM 0 HA LEU A 12 5.761 3.514 -1.167 1.00 34.10 H new ATOM 0 HB2 LEU A 12 4.771 0.790 -1.828 1.00 75.30 H new ATOM 0 HB3 LEU A 12 3.524 2.009 -1.653 1.00 75.30 H new ATOM 0 HG LEU A 12 4.258 1.741 -3.988 1.00 41.20 H new ATOM 0 HD11 LEU A 12 4.636 4.124 -4.482 1.00 32.20 H new ATOM 0 HD12 LEU A 12 3.371 3.897 -3.251 1.00 32.20 H new ATOM 0 HD13 LEU A 12 5.002 4.417 -2.765 1.00 32.20 H new ATOM 0 HD21 LEU A 12 6.497 2.513 -4.671 1.00 33.30 H new ATOM 0 HD22 LEU A 12 6.935 2.743 -2.961 1.00 33.30 H new ATOM 0 HD23 LEU A 12 6.588 1.111 -3.579 1.00 33.30 H new ATOM 191 N VAL A 13 4.505 1.831 1.343 1.00 23.00 N ATOM 192 CA VAL A 13 3.717 1.951 2.564 1.00 3.03 C ATOM 193 C VAL A 13 4.410 2.852 3.581 1.00 14.30 C ATOM 194 O VAL A 13 3.756 3.527 4.375 1.00 11.40 O ATOM 195 CB VAL A 13 3.462 0.575 3.206 1.00 24.30 C ATOM 196 CG1 VAL A 13 2.533 -0.258 2.335 1.00 11.40 C ATOM 197 CG2 VAL A 13 4.774 -0.154 3.447 1.00 62.20 C ATOM 0 H VAL A 13 5.006 0.948 1.250 1.00 23.00 H new ATOM 0 HA VAL A 13 2.763 2.394 2.280 1.00 3.03 H new ATOM 0 HB VAL A 13 2.977 0.730 4.170 1.00 24.30 H new ATOM 0 HG11 VAL A 13 2.365 -1.227 2.805 1.00 11.40 H new ATOM 0 HG12 VAL A 13 1.581 0.260 2.220 1.00 11.40 H new ATOM 0 HG13 VAL A 13 2.987 -0.404 1.355 1.00 11.40 H new ATOM 0 HG21 VAL A 13 4.573 -1.124 3.901 1.00 62.20 H new ATOM 0 HG22 VAL A 13 5.290 -0.298 2.498 1.00 62.20 H new ATOM 0 HG23 VAL A 13 5.401 0.436 4.115 1.00 62.20 H new ATOM 207 N THR A 14 5.739 2.856 3.552 1.00 72.10 N ATOM 208 CA THR A 14 6.520 3.674 4.473 1.00 45.40 C ATOM 209 C THR A 14 6.416 5.152 4.114 1.00 4.53 C ATOM 210 O THR A 14 6.364 6.012 4.994 1.00 34.00 O ATOM 211 CB THR A 14 7.986 3.236 4.457 1.00 72.00 C ATOM 212 OG1 THR A 14 8.090 1.827 4.561 1.00 70.10 O ATOM 213 CG2 THR A 14 8.804 3.840 5.577 1.00 22.00 C ATOM 0 H THR A 14 6.297 2.303 2.902 1.00 72.10 H new ATOM 0 HA THR A 14 6.115 3.534 5.475 1.00 45.40 H new ATOM 0 HB THR A 14 8.383 3.592 3.506 1.00 72.00 H new ATOM 0 HG1 THR A 14 8.308 1.449 3.683 1.00 70.10 H new ATOM 0 HG21 THR A 14 9.833 3.488 5.507 1.00 22.00 H new ATOM 0 HG22 THR A 14 8.786 4.927 5.496 1.00 22.00 H new ATOM 0 HG23 THR A 14 8.383 3.541 6.537 1.00 22.00 H new ATOM 221 N LYS A 15 6.387 5.441 2.817 1.00 75.20 N ATOM 222 CA LYS A 15 6.289 6.817 2.343 1.00 23.10 C ATOM 223 C LYS A 15 4.886 7.375 2.567 1.00 31.00 C ATOM 224 O LYS A 15 4.711 8.576 2.769 1.00 11.10 O ATOM 225 CB LYS A 15 6.651 6.892 0.858 1.00 50.30 C ATOM 226 CG LYS A 15 7.548 8.068 0.510 1.00 3.42 C ATOM 227 CD LYS A 15 8.391 7.781 -0.724 1.00 71.50 C ATOM 228 CE LYS A 15 9.824 8.254 -0.542 1.00 22.40 C ATOM 229 NZ LYS A 15 10.679 7.209 0.084 1.00 52.30 N ATOM 0 H LYS A 15 6.430 4.741 2.076 1.00 75.20 H new ATOM 0 HA LYS A 15 6.993 7.422 2.914 1.00 23.10 H new ATOM 0 HB2 LYS A 15 7.149 5.967 0.567 1.00 50.30 H new ATOM 0 HB3 LYS A 15 5.734 6.959 0.272 1.00 50.30 H new ATOM 0 HG2 LYS A 15 6.937 8.954 0.337 1.00 3.42 H new ATOM 0 HG3 LYS A 15 8.201 8.291 1.354 1.00 3.42 H new ATOM 0 HD2 LYS A 15 8.383 6.711 -0.930 1.00 71.50 H new ATOM 0 HD3 LYS A 15 7.951 8.276 -1.590 1.00 71.50 H new ATOM 0 HE2 LYS A 15 10.240 8.531 -1.510 1.00 22.40 H new ATOM 0 HE3 LYS A 15 9.834 9.151 0.078 1.00 22.40 H new ATOM 0 HZ1 LYS A 15 11.648 7.571 0.191 1.00 52.30 H new ATOM 0 HZ2 LYS A 15 10.297 6.962 1.019 1.00 52.30 H new ATOM 0 HZ3 LYS A 15 10.690 6.362 -0.520 1.00 52.30 H new ATOM 243 N ALA A 16 3.891 6.494 2.528 1.00 53.30 N ATOM 244 CA ALA A 16 2.504 6.900 2.725 1.00 72.40 C ATOM 245 C ALA A 16 2.226 7.224 4.189 1.00 71.40 C ATOM 246 O ALA A 16 1.629 8.253 4.504 1.00 12.30 O ATOM 247 CB ALA A 16 1.562 5.810 2.236 1.00 61.40 C ATOM 0 H ALA A 16 4.019 5.496 2.362 1.00 53.30 H new ATOM 0 HA ALA A 16 2.331 7.805 2.143 1.00 72.40 H new ATOM 0 HB1 ALA A 16 0.530 6.126 2.389 1.00 61.40 H new ATOM 0 HB2 ALA A 16 1.733 5.630 1.175 1.00 61.40 H new ATOM 0 HB3 ALA A 16 1.747 4.892 2.794 1.00 61.40 H new ATOM 253 N THR A 17 2.661 6.339 5.080 1.00 61.40 N ATOM 254 CA THR A 17 2.456 6.531 6.512 1.00 12.40 C ATOM 255 C THR A 17 3.092 7.836 6.984 1.00 43.00 C ATOM 256 O THR A 17 2.471 8.612 7.711 1.00 75.10 O ATOM 257 CB THR A 17 3.039 5.353 7.295 1.00 64.30 C ATOM 258 OG1 THR A 17 2.914 5.567 8.690 1.00 43.00 O ATOM 259 CG2 THR A 17 4.502 5.102 6.999 1.00 73.40 C ATOM 0 H THR A 17 3.158 5.482 4.836 1.00 61.40 H new ATOM 0 HA THR A 17 1.383 6.584 6.695 1.00 12.40 H new ATOM 0 HB THR A 17 2.466 4.483 6.975 1.00 64.30 H new ATOM 0 HG1 THR A 17 3.291 4.802 9.173 1.00 43.00 H new ATOM 0 HG21 THR A 17 4.852 4.254 7.587 1.00 73.40 H new ATOM 0 HG22 THR A 17 4.626 4.884 5.938 1.00 73.40 H new ATOM 0 HG23 THR A 17 5.083 5.987 7.258 1.00 73.40 H new ATOM 267 N GLU A 18 4.331 8.070 6.568 1.00 24.30 N ATOM 268 CA GLU A 18 5.048 9.281 6.950 1.00 61.40 C ATOM 269 C GLU A 18 4.371 10.520 6.372 1.00 43.50 C ATOM 270 O GLU A 18 4.343 11.576 7.005 1.00 12.20 O ATOM 271 CB GLU A 18 6.500 9.211 6.472 1.00 1.43 C ATOM 272 CG GLU A 18 6.639 9.127 4.961 1.00 70.30 C ATOM 273 CD GLU A 18 8.082 8.984 4.515 1.00 3.33 C ATOM 274 OE1 GLU A 18 8.753 8.034 4.972 1.00 52.30 O ATOM 275 OE2 GLU A 18 8.541 9.821 3.711 1.00 60.30 O ATOM 0 H GLU A 18 4.860 7.438 5.967 1.00 24.30 H new ATOM 0 HA GLU A 18 5.033 9.354 8.037 1.00 61.40 H new ATOM 0 HB2 GLU A 18 7.034 10.091 6.829 1.00 1.43 H new ATOM 0 HB3 GLU A 18 6.980 8.342 6.922 1.00 1.43 H new ATOM 0 HG2 GLU A 18 6.063 8.278 4.594 1.00 70.30 H new ATOM 0 HG3 GLU A 18 6.210 10.022 4.510 1.00 70.30 H new ATOM 282 N GLU A 19 3.827 10.383 5.168 1.00 22.40 N ATOM 283 CA GLU A 19 3.149 11.492 4.505 1.00 32.20 C ATOM 284 C GLU A 19 1.860 11.857 5.235 1.00 71.20 C ATOM 285 O GLU A 19 1.514 13.032 5.355 1.00 51.00 O ATOM 286 CB GLU A 19 2.845 11.133 3.050 1.00 35.00 C ATOM 287 CG GLU A 19 3.817 11.748 2.056 1.00 20.30 C ATOM 288 CD GLU A 19 4.170 10.804 0.924 1.00 34.10 C ATOM 289 OE1 GLU A 19 3.301 9.997 0.531 1.00 52.30 O ATOM 290 OE2 GLU A 19 5.316 10.870 0.430 1.00 73.40 O ATOM 0 H GLU A 19 3.842 9.516 4.631 1.00 22.40 H new ATOM 0 HA GLU A 19 3.812 12.357 4.526 1.00 32.20 H new ATOM 0 HB2 GLU A 19 2.864 10.049 2.940 1.00 35.00 H new ATOM 0 HB3 GLU A 19 1.834 11.461 2.807 1.00 35.00 H new ATOM 0 HG2 GLU A 19 3.381 12.658 1.643 1.00 20.30 H new ATOM 0 HG3 GLU A 19 4.728 12.040 2.578 1.00 20.30 H new ATOM 297 N ASP A 20 1.152 10.842 5.723 1.00 24.40 N ATOM 298 CA ASP A 20 -0.100 11.058 6.441 1.00 75.40 C ATOM 299 C ASP A 20 0.093 12.037 7.594 1.00 21.00 C ATOM 300 O ASP A 20 -0.764 12.882 7.855 1.00 15.40 O ATOM 301 CB ASP A 20 -0.645 9.729 6.969 1.00 0.52 C ATOM 302 CG ASP A 20 -2.149 9.620 6.821 1.00 23.10 C ATOM 303 OD1 ASP A 20 -2.808 10.670 6.670 1.00 63.20 O ATOM 304 OD2 ASP A 20 -2.669 8.485 6.857 1.00 64.10 O ATOM 0 H ASP A 20 1.424 9.863 5.634 1.00 24.40 H new ATOM 0 HA ASP A 20 -0.820 11.487 5.743 1.00 75.40 H new ATOM 0 HB2 ASP A 20 -0.170 8.907 6.434 1.00 0.52 H new ATOM 0 HB3 ASP A 20 -0.378 9.622 8.020 1.00 0.52 H new ATOM 309 N LYS A 21 1.225 11.920 8.279 1.00 24.30 N ATOM 310 CA LYS A 21 1.534 12.796 9.403 1.00 12.20 C ATOM 311 C LYS A 21 1.942 14.186 8.921 1.00 73.30 C ATOM 312 O LYS A 21 1.868 15.159 9.672 1.00 52.40 O ATOM 313 CB LYS A 21 2.652 12.193 10.255 1.00 13.40 C ATOM 314 CG LYS A 21 2.150 11.259 11.345 1.00 40.50 C ATOM 315 CD LYS A 21 2.400 9.801 10.991 1.00 63.30 C ATOM 316 CE LYS A 21 1.834 8.866 12.048 1.00 24.40 C ATOM 317 NZ LYS A 21 1.405 7.565 11.464 1.00 42.00 N ATOM 0 H LYS A 21 1.945 11.226 8.075 1.00 24.30 H new ATOM 0 HA LYS A 21 0.633 12.893 10.009 1.00 12.20 H new ATOM 0 HB2 LYS A 21 3.337 11.646 9.607 1.00 13.40 H new ATOM 0 HB3 LYS A 21 3.223 13.000 10.714 1.00 13.40 H new ATOM 0 HG2 LYS A 21 2.647 11.496 12.286 1.00 40.50 H new ATOM 0 HG3 LYS A 21 1.083 11.419 11.499 1.00 40.50 H new ATOM 0 HD2 LYS A 21 1.947 9.577 10.025 1.00 63.30 H new ATOM 0 HD3 LYS A 21 3.471 9.629 10.888 1.00 63.30 H new ATOM 0 HE2 LYS A 21 2.586 8.689 12.817 1.00 24.40 H new ATOM 0 HE3 LYS A 21 0.984 9.342 12.537 1.00 24.40 H new ATOM 0 HZ1 LYS A 21 1.025 6.955 12.216 1.00 42.00 H new ATOM 0 HZ2 LYS A 21 0.669 7.732 10.748 1.00 42.00 H new ATOM 0 HZ3 LYS A 21 2.221 7.098 11.019 1.00 42.00 H new ATOM 331 N ALA A 22 2.375 14.276 7.665 1.00 65.20 N ATOM 332 CA ALA A 22 2.795 15.549 7.091 1.00 62.00 C ATOM 333 C ALA A 22 1.659 16.219 6.322 1.00 55.20 C ATOM 334 O ALA A 22 1.897 17.035 5.433 1.00 73.40 O ATOM 335 CB ALA A 22 3.998 15.342 6.182 1.00 53.30 C ATOM 0 H ALA A 22 2.443 13.483 7.028 1.00 65.20 H new ATOM 0 HA ALA A 22 3.075 16.210 7.911 1.00 62.00 H new ATOM 0 HB1 ALA A 22 4.303 16.299 5.759 1.00 53.30 H new ATOM 0 HB2 ALA A 22 4.822 14.921 6.759 1.00 53.30 H new ATOM 0 HB3 ALA A 22 3.732 14.657 5.377 1.00 53.30 H new ATOM 341 N LYS A 23 0.422 15.874 6.671 1.00 21.40 N ATOM 342 CA LYS A 23 -0.748 16.448 6.015 1.00 22.50 C ATOM 343 C LYS A 23 -0.704 16.214 4.506 1.00 60.30 C ATOM 344 O LYS A 23 -1.046 17.098 3.721 1.00 34.30 O ATOM 345 CB LYS A 23 -0.837 17.946 6.309 1.00 0.11 C ATOM 346 CG LYS A 23 -1.575 18.271 7.598 1.00 20.30 C ATOM 347 CD LYS A 23 -3.026 18.642 7.330 1.00 23.10 C ATOM 348 CE LYS A 23 -3.208 20.150 7.246 1.00 32.40 C ATOM 349 NZ LYS A 23 -3.740 20.717 8.516 1.00 13.30 N ATOM 0 H LYS A 23 0.205 15.200 7.405 1.00 21.40 H new ATOM 0 HA LYS A 23 -1.634 15.952 6.412 1.00 22.50 H new ATOM 0 HB2 LYS A 23 0.171 18.357 6.364 1.00 0.11 H new ATOM 0 HB3 LYS A 23 -1.339 18.442 5.478 1.00 0.11 H new ATOM 0 HG2 LYS A 23 -1.536 17.412 8.268 1.00 20.30 H new ATOM 0 HG3 LYS A 23 -1.075 19.095 8.107 1.00 20.30 H new ATOM 0 HD2 LYS A 23 -3.354 18.182 6.398 1.00 23.10 H new ATOM 0 HD3 LYS A 23 -3.658 18.242 8.123 1.00 23.10 H new ATOM 0 HE2 LYS A 23 -2.252 20.618 7.012 1.00 32.40 H new ATOM 0 HE3 LYS A 23 -3.889 20.389 6.429 1.00 32.40 H new ATOM 0 HZ1 LYS A 23 -3.850 21.747 8.418 1.00 13.30 H new ATOM 0 HZ2 LYS A 23 -4.664 20.289 8.727 1.00 13.30 H new ATOM 0 HZ3 LYS A 23 -3.078 20.512 9.292 1.00 13.30 H new ATOM 363 N ASN A 24 -0.283 15.018 4.109 1.00 71.10 N ATOM 364 CA ASN A 24 -0.198 14.668 2.695 1.00 4.33 C ATOM 365 C ASN A 24 -1.258 13.633 2.328 1.00 2.14 C ATOM 366 O ASN A 24 -0.969 12.645 1.653 1.00 74.00 O ATOM 367 CB ASN A 24 1.197 14.135 2.360 1.00 73.30 C ATOM 368 CG ASN A 24 2.140 15.228 1.899 1.00 52.30 C ATOM 369 OD1 ASN A 24 2.836 15.079 0.894 1.00 20.40 O ATOM 370 ND2 ASN A 24 2.167 16.335 2.631 1.00 13.20 N ATOM 0 H ASN A 24 0.005 14.275 4.746 1.00 71.10 H new ATOM 0 HA ASN A 24 -0.380 15.570 2.111 1.00 4.33 H new ATOM 0 HB2 ASN A 24 1.616 13.645 3.239 1.00 73.30 H new ATOM 0 HB3 ASN A 24 1.116 13.377 1.581 1.00 73.30 H new ATOM 0 HD21 ASN A 24 2.782 17.105 2.368 1.00 13.20 H new ATOM 0 HD22 ASN A 24 1.573 16.415 3.456 1.00 13.20 H new ATOM 377 N TYR A 25 -2.487 13.866 2.781 1.00 64.10 N ATOM 378 CA TYR A 25 -3.593 12.953 2.503 1.00 64.50 C ATOM 379 C TYR A 25 -3.702 12.657 1.010 1.00 34.10 C ATOM 380 O TYR A 25 -3.979 11.525 0.611 1.00 24.30 O ATOM 381 CB TYR A 25 -4.909 13.545 3.012 1.00 54.30 C ATOM 382 CG TYR A 25 -5.017 13.581 4.521 1.00 4.41 C ATOM 383 CD1 TYR A 25 -4.419 14.598 5.254 1.00 51.50 C ATOM 384 CD2 TYR A 25 -5.717 12.599 5.209 1.00 24.30 C ATOM 385 CE1 TYR A 25 -4.517 14.634 6.633 1.00 15.20 C ATOM 386 CE2 TYR A 25 -5.819 12.629 6.587 1.00 12.30 C ATOM 387 CZ TYR A 25 -5.217 13.647 7.294 1.00 11.50 C ATOM 388 OH TYR A 25 -5.316 13.681 8.666 1.00 35.10 O ATOM 0 H TYR A 25 -2.742 14.679 3.342 1.00 64.10 H new ATOM 0 HA TYR A 25 -3.393 12.017 3.024 1.00 64.50 H new ATOM 0 HB2 TYR A 25 -5.015 14.558 2.625 1.00 54.30 H new ATOM 0 HB3 TYR A 25 -5.738 12.962 2.611 1.00 54.30 H new ATOM 0 HD1 TYR A 25 -3.869 15.372 4.739 1.00 51.50 H new ATOM 0 HD2 TYR A 25 -6.189 11.799 4.659 1.00 24.30 H new ATOM 0 HE1 TYR A 25 -4.047 15.432 7.190 1.00 15.20 H new ATOM 0 HE2 TYR A 25 -6.368 11.858 7.107 1.00 12.30 H new ATOM 0 HH TYR A 25 -5.843 12.915 8.975 1.00 35.10 H new ATOM 398 N GLU A 26 -3.483 13.680 0.191 1.00 34.10 N ATOM 399 CA GLU A 26 -3.557 13.527 -1.258 1.00 73.30 C ATOM 400 C GLU A 26 -2.455 12.602 -1.765 1.00 21.10 C ATOM 401 O GLU A 26 -2.695 11.739 -2.609 1.00 53.20 O ATOM 402 CB GLU A 26 -3.446 14.891 -1.942 1.00 65.10 C ATOM 403 CG GLU A 26 -4.788 15.570 -2.166 1.00 14.10 C ATOM 404 CD GLU A 26 -5.373 15.270 -3.531 1.00 61.40 C ATOM 405 OE1 GLU A 26 -5.716 14.095 -3.785 1.00 75.30 O ATOM 406 OE2 GLU A 26 -5.488 16.208 -4.347 1.00 65.30 O ATOM 0 H GLU A 26 -3.253 14.623 0.505 1.00 34.10 H new ATOM 0 HA GLU A 26 -4.522 13.082 -1.502 1.00 73.30 H new ATOM 0 HB2 GLU A 26 -2.815 15.542 -1.336 1.00 65.10 H new ATOM 0 HB3 GLU A 26 -2.946 14.767 -2.903 1.00 65.10 H new ATOM 0 HG2 GLU A 26 -5.488 15.246 -1.396 1.00 14.10 H new ATOM 0 HG3 GLU A 26 -4.669 16.648 -2.055 1.00 14.10 H new ATOM 413 N GLU A 27 -1.247 12.788 -1.243 1.00 62.30 N ATOM 414 CA GLU A 27 -0.107 11.971 -1.642 1.00 21.40 C ATOM 415 C GLU A 27 -0.216 10.563 -1.064 1.00 32.00 C ATOM 416 O GLU A 27 0.110 9.581 -1.729 1.00 41.10 O ATOM 417 CB GLU A 27 1.198 12.623 -1.185 1.00 0.34 C ATOM 418 CG GLU A 27 2.380 12.321 -2.092 1.00 74.00 C ATOM 419 CD GLU A 27 2.751 13.495 -2.977 1.00 63.20 C ATOM 420 OE1 GLU A 27 3.468 14.398 -2.496 1.00 65.10 O ATOM 421 OE2 GLU A 27 2.322 13.513 -4.150 1.00 62.40 O ATOM 0 H GLU A 27 -1.032 13.498 -0.542 1.00 62.30 H new ATOM 0 HA GLU A 27 -0.107 11.898 -2.730 1.00 21.40 H new ATOM 0 HB2 GLU A 27 1.057 13.703 -1.134 1.00 0.34 H new ATOM 0 HB3 GLU A 27 1.430 12.284 -0.175 1.00 0.34 H new ATOM 0 HG2 GLU A 27 3.240 12.045 -1.482 1.00 74.00 H new ATOM 0 HG3 GLU A 27 2.143 11.460 -2.717 1.00 74.00 H new ATOM 428 N ALA A 28 -0.674 10.475 0.181 1.00 44.20 N ATOM 429 CA ALA A 28 -0.824 9.188 0.851 1.00 65.20 C ATOM 430 C ALA A 28 -1.777 8.277 0.086 1.00 71.10 C ATOM 431 O ALA A 28 -1.595 7.060 0.052 1.00 71.30 O ATOM 432 CB ALA A 28 -1.316 9.392 2.276 1.00 32.20 C ATOM 0 H ALA A 28 -0.947 11.279 0.746 1.00 44.20 H new ATOM 0 HA ALA A 28 0.153 8.705 0.879 1.00 65.20 H new ATOM 0 HB1 ALA A 28 -1.424 8.424 2.766 1.00 32.20 H new ATOM 0 HB2 ALA A 28 -0.597 9.999 2.826 1.00 32.20 H new ATOM 0 HB3 ALA A 28 -2.280 9.900 2.259 1.00 32.20 H new ATOM 438 N LEU A 29 -2.796 8.872 -0.525 1.00 64.20 N ATOM 439 CA LEU A 29 -3.779 8.113 -1.289 1.00 12.20 C ATOM 440 C LEU A 29 -3.134 7.448 -2.501 1.00 12.40 C ATOM 441 O LEU A 29 -3.401 6.283 -2.798 1.00 64.20 O ATOM 442 CB LEU A 29 -4.920 9.026 -1.742 1.00 22.00 C ATOM 443 CG LEU A 29 -6.208 8.303 -2.141 1.00 75.30 C ATOM 444 CD1 LEU A 29 -6.891 7.714 -0.917 1.00 74.50 C ATOM 445 CD2 LEU A 29 -7.146 9.253 -2.872 1.00 23.00 C ATOM 0 H LEU A 29 -2.963 9.878 -0.506 1.00 64.20 H new ATOM 0 HA LEU A 29 -4.181 7.334 -0.641 1.00 12.20 H new ATOM 0 HB2 LEU A 29 -5.148 9.724 -0.937 1.00 22.00 H new ATOM 0 HB3 LEU A 29 -4.576 9.618 -2.590 1.00 22.00 H new ATOM 0 HG LEU A 29 -5.950 7.486 -2.815 1.00 75.30 H new ATOM 0 HD11 LEU A 29 -7.805 7.204 -1.221 1.00 74.50 H new ATOM 0 HD12 LEU A 29 -6.222 7.002 -0.434 1.00 74.50 H new ATOM 0 HD13 LEU A 29 -7.137 8.513 -0.218 1.00 74.50 H new ATOM 0 HD21 LEU A 29 -8.057 8.723 -3.149 1.00 23.00 H new ATOM 0 HD22 LEU A 29 -7.397 10.090 -2.220 1.00 23.00 H new ATOM 0 HD23 LEU A 29 -6.657 9.627 -3.771 1.00 23.00 H new ATOM 457 N ARG A 30 -2.286 8.197 -3.200 1.00 1.43 N ATOM 458 CA ARG A 30 -1.605 7.680 -4.381 1.00 60.20 C ATOM 459 C ARG A 30 -0.498 6.705 -3.991 1.00 0.10 C ATOM 460 O ARG A 30 -0.248 5.722 -4.689 1.00 4.52 O ATOM 461 CB ARG A 30 -1.020 8.830 -5.202 1.00 34.30 C ATOM 462 CG ARG A 30 -2.019 9.465 -6.157 1.00 54.10 C ATOM 463 CD ARG A 30 -2.970 10.399 -5.428 1.00 13.10 C ATOM 464 NE ARG A 30 -4.235 10.558 -6.141 1.00 74.40 N ATOM 465 CZ ARG A 30 -4.397 11.354 -7.196 1.00 30.30 C ATOM 466 NH1 ARG A 30 -3.377 12.064 -7.664 1.00 3.24 N ATOM 467 NH2 ARG A 30 -5.581 11.440 -7.786 1.00 42.40 N ATOM 0 H ARG A 30 -2.055 9.163 -2.969 1.00 1.43 H new ATOM 0 HA ARG A 30 -2.338 7.145 -4.985 1.00 60.20 H new ATOM 0 HB2 ARG A 30 -0.642 9.595 -4.523 1.00 34.30 H new ATOM 0 HB3 ARG A 30 -0.168 8.461 -5.773 1.00 34.30 H new ATOM 0 HG2 ARG A 30 -1.485 10.018 -6.929 1.00 54.10 H new ATOM 0 HG3 ARG A 30 -2.589 8.684 -6.661 1.00 54.10 H new ATOM 0 HD2 ARG A 30 -3.164 10.011 -4.428 1.00 13.10 H new ATOM 0 HD3 ARG A 30 -2.498 11.374 -5.306 1.00 13.10 H new ATOM 0 HE ARG A 30 -5.042 10.028 -5.811 1.00 74.40 H new ATOM 0 HH11 ARG A 30 -2.463 12.001 -7.215 1.00 3.24 H new ATOM 0 HH12 ARG A 30 -3.507 12.672 -8.473 1.00 3.24 H new ATOM 0 HH21 ARG A 30 -6.368 10.896 -7.432 1.00 42.40 H new ATOM 0 HH22 ARG A 30 -5.705 12.050 -8.594 1.00 42.40 H new ATOM 481 N LEU A 31 0.164 6.985 -2.873 1.00 71.40 N ATOM 482 CA LEU A 31 1.246 6.132 -2.392 1.00 3.30 C ATOM 483 C LEU A 31 0.705 4.804 -1.869 1.00 52.00 C ATOM 484 O LEU A 31 1.348 3.764 -2.004 1.00 12.10 O ATOM 485 CB LEU A 31 2.034 6.847 -1.290 1.00 63.40 C ATOM 486 CG LEU A 31 3.283 7.589 -1.766 1.00 13.40 C ATOM 487 CD1 LEU A 31 4.349 6.605 -2.222 1.00 4.10 C ATOM 488 CD2 LEU A 31 2.934 8.557 -2.888 1.00 24.40 C ATOM 0 H LEU A 31 -0.029 7.795 -2.284 1.00 71.40 H new ATOM 0 HA LEU A 31 1.911 5.925 -3.230 1.00 3.30 H new ATOM 0 HB2 LEU A 31 1.373 7.559 -0.795 1.00 63.40 H new ATOM 0 HB3 LEU A 31 2.330 6.113 -0.541 1.00 63.40 H new ATOM 0 HG LEU A 31 3.681 8.162 -0.929 1.00 13.40 H new ATOM 0 HD11 LEU A 31 5.230 7.152 -2.557 1.00 4.10 H new ATOM 0 HD12 LEU A 31 4.621 5.953 -1.392 1.00 4.10 H new ATOM 0 HD13 LEU A 31 3.961 6.004 -3.044 1.00 4.10 H new ATOM 0 HD21 LEU A 31 3.835 9.076 -3.214 1.00 24.40 H new ATOM 0 HD22 LEU A 31 2.510 8.004 -3.726 1.00 24.40 H new ATOM 0 HD23 LEU A 31 2.207 9.284 -2.528 1.00 24.40 H new ATOM 500 N TYR A 32 -0.481 4.848 -1.270 1.00 23.50 N ATOM 501 CA TYR A 32 -1.107 3.650 -0.725 1.00 53.00 C ATOM 502 C TYR A 32 -1.628 2.750 -1.842 1.00 44.20 C ATOM 503 O TYR A 32 -1.406 1.539 -1.832 1.00 11.40 O ATOM 504 CB TYR A 32 -2.252 4.030 0.217 1.00 22.10 C ATOM 505 CG TYR A 32 -1.878 3.970 1.680 1.00 12.40 C ATOM 506 CD1 TYR A 32 -1.544 2.762 2.282 1.00 51.00 C ATOM 507 CD2 TYR A 32 -1.858 5.119 2.460 1.00 14.00 C ATOM 508 CE1 TYR A 32 -1.202 2.703 3.620 1.00 60.20 C ATOM 509 CE2 TYR A 32 -1.516 5.068 3.798 1.00 24.10 C ATOM 510 CZ TYR A 32 -1.189 3.859 4.373 1.00 65.10 C ATOM 511 OH TYR A 32 -0.849 3.803 5.705 1.00 72.10 O ATOM 0 H TYR A 32 -1.027 5.701 -1.150 1.00 23.50 H new ATOM 0 HA TYR A 32 -0.352 3.100 -0.164 1.00 53.00 H new ATOM 0 HB2 TYR A 32 -2.588 5.039 -0.022 1.00 22.10 H new ATOM 0 HB3 TYR A 32 -3.095 3.362 0.039 1.00 22.10 H new ATOM 0 HD1 TYR A 32 -1.552 1.856 1.695 1.00 51.00 H new ATOM 0 HD2 TYR A 32 -2.114 6.068 2.013 1.00 14.00 H new ATOM 0 HE1 TYR A 32 -0.946 1.757 4.074 1.00 60.20 H new ATOM 0 HE2 TYR A 32 -1.505 5.971 4.390 1.00 24.10 H new ATOM 0 HH TYR A 32 -0.888 4.703 6.091 1.00 72.10 H new ATOM 521 N GLN A 33 -2.323 3.349 -2.803 1.00 41.20 N ATOM 522 CA GLN A 33 -2.878 2.602 -3.927 1.00 25.00 C ATOM 523 C GLN A 33 -1.779 1.883 -4.704 1.00 61.00 C ATOM 524 O GLN A 33 -1.977 0.770 -5.191 1.00 71.10 O ATOM 525 CB GLN A 33 -3.646 3.540 -4.859 1.00 4.52 C ATOM 526 CG GLN A 33 -5.011 3.945 -4.327 1.00 75.00 C ATOM 527 CD GLN A 33 -5.809 4.759 -5.326 1.00 50.40 C ATOM 528 OE1 GLN A 33 -6.788 4.279 -5.896 1.00 4.20 O ATOM 529 NE2 GLN A 33 -5.392 6.001 -5.544 1.00 45.40 N ATOM 0 H GLN A 33 -2.516 4.350 -2.826 1.00 41.20 H new ATOM 0 HA GLN A 33 -3.563 1.853 -3.528 1.00 25.00 H new ATOM 0 HB2 GLN A 33 -3.051 4.437 -5.028 1.00 4.52 H new ATOM 0 HB3 GLN A 33 -3.772 3.054 -5.826 1.00 4.52 H new ATOM 0 HG2 GLN A 33 -5.573 3.050 -4.062 1.00 75.00 H new ATOM 0 HG3 GLN A 33 -4.883 4.524 -3.412 1.00 75.00 H new ATOM 0 HE21 GLN A 33 -4.575 6.359 -5.049 1.00 45.40 H new ATOM 0 HE22 GLN A 33 -5.889 6.597 -6.206 1.00 45.40 H new ATOM 538 N HIS A 34 -0.622 2.526 -4.816 1.00 41.20 N ATOM 539 CA HIS A 34 0.508 1.947 -5.535 1.00 43.30 C ATOM 540 C HIS A 34 1.034 0.708 -4.818 1.00 24.10 C ATOM 541 O HIS A 34 1.390 -0.285 -5.454 1.00 52.30 O ATOM 542 CB HIS A 34 1.627 2.980 -5.684 1.00 71.40 C ATOM 543 CG HIS A 34 1.620 3.683 -7.006 1.00 3.11 C ATOM 544 ND1 HIS A 34 2.730 3.766 -7.821 1.00 23.30 N ATOM 545 CD2 HIS A 34 0.629 4.338 -7.656 1.00 11.20 C ATOM 546 CE1 HIS A 34 2.423 4.442 -8.913 1.00 53.20 C ATOM 547 NE2 HIS A 34 1.154 4.799 -8.839 1.00 15.10 N ATOM 0 H HIS A 34 -0.441 3.448 -4.419 1.00 41.20 H new ATOM 0 HA HIS A 34 0.163 1.650 -6.525 1.00 43.30 H new ATOM 0 HB2 HIS A 34 1.536 3.719 -4.888 1.00 71.40 H new ATOM 0 HB3 HIS A 34 2.588 2.484 -5.550 1.00 71.40 H new ATOM 0 HD2 HIS A 34 -0.385 4.473 -7.309 1.00 11.20 H new ATOM 0 HE1 HIS A 34 3.096 4.665 -9.728 1.00 53.20 H new ATOM 0 HE2 HIS A 34 0.646 5.331 -9.546 1.00 15.10 H new ATOM 556 N ALA A 35 1.085 0.773 -3.492 1.00 74.10 N ATOM 557 CA ALA A 35 1.571 -0.343 -2.689 1.00 34.30 C ATOM 558 C ALA A 35 0.666 -1.562 -2.832 1.00 4.20 C ATOM 559 O ALA A 35 1.122 -2.701 -2.727 1.00 32.30 O ATOM 560 CB ALA A 35 1.679 0.067 -1.228 1.00 3.51 C ATOM 0 H ALA A 35 0.796 1.587 -2.950 1.00 74.10 H new ATOM 0 HA ALA A 35 2.561 -0.615 -3.055 1.00 34.30 H new ATOM 0 HB1 ALA A 35 2.043 -0.775 -0.640 1.00 3.51 H new ATOM 0 HB2 ALA A 35 2.374 0.902 -1.135 1.00 3.51 H new ATOM 0 HB3 ALA A 35 0.698 0.369 -0.861 1.00 3.51 H new ATOM 566 N VAL A 36 -0.619 -1.316 -3.070 1.00 34.20 N ATOM 567 CA VAL A 36 -1.586 -2.396 -3.226 1.00 50.20 C ATOM 568 C VAL A 36 -1.411 -3.107 -4.564 1.00 61.30 C ATOM 569 O VAL A 36 -1.644 -4.311 -4.673 1.00 25.50 O ATOM 570 CB VAL A 36 -3.031 -1.874 -3.121 1.00 22.10 C ATOM 571 CG1 VAL A 36 -4.017 -3.032 -3.082 1.00 1.35 C ATOM 572 CG2 VAL A 36 -3.191 -0.987 -1.895 1.00 14.20 C ATOM 0 H VAL A 36 -1.014 -0.380 -3.159 1.00 34.20 H new ATOM 0 HA VAL A 36 -1.401 -3.103 -2.417 1.00 50.20 H new ATOM 0 HB VAL A 36 -3.246 -1.274 -4.006 1.00 22.10 H new ATOM 0 HG11 VAL A 36 -5.032 -2.643 -3.008 1.00 1.35 H new ATOM 0 HG12 VAL A 36 -3.921 -3.623 -3.993 1.00 1.35 H new ATOM 0 HG13 VAL A 36 -3.805 -3.661 -2.217 1.00 1.35 H new ATOM 0 HG21 VAL A 36 -4.218 -0.628 -1.838 1.00 14.20 H new ATOM 0 HG22 VAL A 36 -2.956 -1.560 -0.998 1.00 14.20 H new ATOM 0 HG23 VAL A 36 -2.513 -0.137 -1.970 1.00 14.20 H new ATOM 582 N GLU A 37 -1.002 -2.353 -5.579 1.00 13.40 N ATOM 583 CA GLU A 37 -0.798 -2.911 -6.912 1.00 42.50 C ATOM 584 C GLU A 37 0.418 -3.833 -6.939 1.00 70.30 C ATOM 585 O GLU A 37 0.413 -4.864 -7.611 1.00 64.20 O ATOM 586 CB GLU A 37 -0.624 -1.788 -7.936 1.00 53.20 C ATOM 587 CG GLU A 37 -1.879 -0.955 -8.145 1.00 33.20 C ATOM 588 CD GLU A 37 -2.886 -1.636 -9.050 1.00 73.50 C ATOM 589 OE1 GLU A 37 -3.196 -2.822 -8.806 1.00 61.30 O ATOM 590 OE2 GLU A 37 -3.365 -0.985 -10.000 1.00 51.10 O ATOM 0 H GLU A 37 -0.805 -1.355 -5.505 1.00 13.40 H new ATOM 0 HA GLU A 37 -1.680 -3.497 -7.171 1.00 42.50 H new ATOM 0 HB2 GLU A 37 0.186 -1.134 -7.612 1.00 53.20 H new ATOM 0 HB3 GLU A 37 -0.322 -2.221 -8.890 1.00 53.20 H new ATOM 0 HG2 GLU A 37 -2.342 -0.754 -7.179 1.00 33.20 H new ATOM 0 HG3 GLU A 37 -1.604 0.009 -8.574 1.00 33.20 H new ATOM 597 N TYR A 38 1.460 -3.452 -6.208 1.00 61.20 N ATOM 598 CA TYR A 38 2.684 -4.243 -6.151 1.00 24.00 C ATOM 599 C TYR A 38 2.480 -5.510 -5.326 1.00 10.20 C ATOM 600 O TYR A 38 3.086 -6.546 -5.602 1.00 13.10 O ATOM 601 CB TYR A 38 3.825 -3.414 -5.558 1.00 24.10 C ATOM 602 CG TYR A 38 4.586 -2.607 -6.586 1.00 34.10 C ATOM 603 CD1 TYR A 38 4.171 -1.330 -6.941 1.00 33.30 C ATOM 604 CD2 TYR A 38 5.720 -3.123 -7.201 1.00 24.30 C ATOM 605 CE1 TYR A 38 4.864 -0.590 -7.881 1.00 53.00 C ATOM 606 CE2 TYR A 38 6.418 -2.389 -8.140 1.00 54.20 C ATOM 607 CZ TYR A 38 5.986 -1.124 -8.477 1.00 52.40 C ATOM 608 OH TYR A 38 6.678 -0.390 -9.413 1.00 43.40 O ATOM 0 H TYR A 38 1.482 -2.601 -5.647 1.00 61.20 H new ATOM 0 HA TYR A 38 2.944 -4.533 -7.169 1.00 24.00 H new ATOM 0 HB2 TYR A 38 3.419 -2.738 -4.806 1.00 24.10 H new ATOM 0 HB3 TYR A 38 4.519 -4.081 -5.046 1.00 24.10 H new ATOM 0 HD1 TYR A 38 3.293 -0.908 -6.475 1.00 33.30 H new ATOM 0 HD2 TYR A 38 6.061 -4.114 -6.941 1.00 24.30 H new ATOM 0 HE1 TYR A 38 4.528 0.401 -8.147 1.00 53.00 H new ATOM 0 HE2 TYR A 38 7.298 -2.804 -8.608 1.00 54.20 H new ATOM 0 HH TYR A 38 6.584 0.565 -9.214 1.00 43.40 H new ATOM 618 N PHE A 39 1.625 -5.420 -4.312 1.00 12.40 N ATOM 619 CA PHE A 39 1.344 -6.560 -3.446 1.00 2.22 C ATOM 620 C PHE A 39 0.497 -7.602 -4.171 1.00 54.10 C ATOM 621 O PHE A 39 0.743 -8.803 -4.058 1.00 3.10 O ATOM 622 CB PHE A 39 0.628 -6.096 -2.176 1.00 34.40 C ATOM 623 CG PHE A 39 1.561 -5.785 -1.041 1.00 21.30 C ATOM 624 CD1 PHE A 39 2.459 -6.737 -0.584 1.00 12.20 C ATOM 625 CD2 PHE A 39 1.540 -4.541 -0.431 1.00 3.51 C ATOM 626 CE1 PHE A 39 3.318 -6.454 0.460 1.00 14.00 C ATOM 627 CE2 PHE A 39 2.398 -4.253 0.614 1.00 24.30 C ATOM 628 CZ PHE A 39 3.288 -5.210 1.060 1.00 44.10 C ATOM 0 H PHE A 39 1.115 -4.570 -4.070 1.00 12.40 H new ATOM 0 HA PHE A 39 2.294 -7.020 -3.173 1.00 2.22 H new ATOM 0 HB2 PHE A 39 0.038 -5.208 -2.405 1.00 34.40 H new ATOM 0 HB3 PHE A 39 -0.071 -6.870 -1.859 1.00 34.40 H new ATOM 0 HD1 PHE A 39 2.487 -7.711 -1.050 1.00 12.20 H new ATOM 0 HD2 PHE A 39 0.846 -3.789 -0.776 1.00 3.51 H new ATOM 0 HE1 PHE A 39 4.013 -7.205 0.807 1.00 14.00 H new ATOM 0 HE2 PHE A 39 2.372 -3.280 1.081 1.00 24.30 H new ATOM 0 HZ PHE A 39 3.959 -4.986 1.876 1.00 44.10 H new ATOM 638 N LEU A 40 -0.501 -7.134 -4.912 1.00 21.40 N ATOM 639 CA LEU A 40 -1.385 -8.027 -5.653 1.00 71.30 C ATOM 640 C LEU A 40 -0.622 -8.775 -6.741 1.00 51.50 C ATOM 641 O LEU A 40 -0.774 -9.987 -6.897 1.00 24.20 O ATOM 642 CB LEU A 40 -2.538 -7.235 -6.275 1.00 14.20 C ATOM 643 CG LEU A 40 -3.727 -6.983 -5.347 1.00 62.50 C ATOM 644 CD1 LEU A 40 -4.696 -5.994 -5.976 1.00 13.30 C ATOM 645 CD2 LEU A 40 -4.433 -8.292 -5.022 1.00 13.10 C ATOM 0 H LEU A 40 -0.718 -6.143 -5.016 1.00 21.40 H new ATOM 0 HA LEU A 40 -1.789 -8.758 -4.953 1.00 71.30 H new ATOM 0 HB2 LEU A 40 -2.155 -6.274 -6.618 1.00 14.20 H new ATOM 0 HB3 LEU A 40 -2.892 -7.770 -7.156 1.00 14.20 H new ATOM 0 HG LEU A 40 -3.355 -6.552 -4.418 1.00 62.50 H new ATOM 0 HD11 LEU A 40 -5.535 -5.827 -5.301 1.00 13.30 H new ATOM 0 HD12 LEU A 40 -4.184 -5.049 -6.159 1.00 13.30 H new ATOM 0 HD13 LEU A 40 -5.064 -6.396 -6.920 1.00 13.30 H new ATOM 0 HD21 LEU A 40 -5.277 -8.096 -4.361 1.00 13.10 H new ATOM 0 HD22 LEU A 40 -4.793 -8.750 -5.943 1.00 13.10 H new ATOM 0 HD23 LEU A 40 -3.735 -8.969 -4.529 1.00 13.10 H new ATOM 657 N HIS A 41 0.197 -8.047 -7.492 1.00 54.20 N ATOM 658 CA HIS A 41 0.983 -8.642 -8.567 1.00 21.20 C ATOM 659 C HIS A 41 1.968 -9.670 -8.018 1.00 71.30 C ATOM 660 O HIS A 41 2.225 -10.690 -8.651 1.00 31.40 O ATOM 661 CB HIS A 41 1.737 -7.557 -9.337 1.00 33.10 C ATOM 662 CG HIS A 41 2.296 -8.029 -10.640 1.00 71.50 C ATOM 663 ND1 HIS A 41 2.022 -7.414 -11.840 1.00 14.20 N ATOM 664 CD2 HIS A 41 3.120 -9.065 -10.930 1.00 4.52 C ATOM 665 CE1 HIS A 41 2.651 -8.050 -12.810 1.00 2.11 C ATOM 666 NE2 HIS A 41 3.324 -9.055 -12.290 1.00 10.00 N ATOM 0 H HIS A 41 0.334 -7.043 -7.376 1.00 54.20 H new ATOM 0 HA HIS A 41 0.297 -9.149 -9.245 1.00 21.20 H new ATOM 0 HB2 HIS A 41 1.064 -6.720 -9.522 1.00 33.10 H new ATOM 0 HB3 HIS A 41 2.551 -7.181 -8.717 1.00 33.10 H new ATOM 0 HD2 HIS A 41 3.539 -9.768 -10.225 1.00 4.52 H new ATOM 0 HE1 HIS A 41 2.619 -7.789 -13.858 1.00 2.11 H new ATOM 0 HE2 HIS A 41 3.901 -9.716 -12.810 1.00 10.00 H new ATOM 675 N ALA A 42 2.515 -9.390 -6.841 1.00 11.40 N ATOM 676 CA ALA A 42 3.473 -10.280 -6.210 1.00 0.21 C ATOM 677 C ALA A 42 2.831 -11.630 -5.875 1.00 71.30 C ATOM 678 O ALA A 42 3.446 -12.680 -6.048 1.00 11.30 O ATOM 679 CB ALA A 42 4.049 -9.650 -4.955 1.00 43.20 C ATOM 0 H ALA A 42 2.308 -8.548 -6.304 1.00 11.40 H new ATOM 0 HA ALA A 42 4.284 -10.450 -6.918 1.00 0.21 H new ATOM 0 HB1 ALA A 42 4.764 -10.335 -4.499 1.00 43.20 H new ATOM 0 HB2 ALA A 42 4.553 -8.719 -5.214 1.00 43.20 H new ATOM 0 HB3 ALA A 42 3.244 -9.443 -4.249 1.00 43.20 H new ATOM 685 N ILE A 43 1.594 -11.580 -5.392 1.00 13.40 N ATOM 686 CA ILE A 43 0.871 -12.800 -5.031 1.00 33.20 C ATOM 687 C ILE A 43 0.541 -13.630 -6.264 1.00 44.40 C ATOM 688 O ILE A 43 0.825 -14.830 -6.309 1.00 53.20 O ATOM 689 CB ILE A 43 -0.436 -12.470 -4.281 1.00 64.40 C ATOM 690 CG1 ILE A 43 -0.161 -11.510 -3.119 1.00 50.40 C ATOM 691 CG2 ILE A 43 -1.093 -13.750 -3.777 1.00 53.50 C ATOM 692 CD1 ILE A 43 -1.298 -10.550 -2.846 1.00 23.40 C ATOM 0 H ILE A 43 1.072 -10.717 -5.241 1.00 13.40 H new ATOM 0 HA ILE A 43 1.525 -13.376 -4.377 1.00 33.20 H new ATOM 0 HB ILE A 43 -1.120 -11.980 -4.973 1.00 64.40 H new ATOM 0 HG12 ILE A 43 0.038 -12.090 -2.218 1.00 50.40 H new ATOM 0 HG13 ILE A 43 0.742 -10.939 -3.336 1.00 50.40 H new ATOM 0 HG21 ILE A 43 -2.014 -13.503 -3.250 1.00 53.50 H new ATOM 0 HG22 ILE A 43 -1.322 -14.399 -4.622 1.00 53.50 H new ATOM 0 HG23 ILE A 43 -0.413 -14.265 -3.098 1.00 53.50 H new ATOM 0 HD11 ILE A 43 -1.034 -9.901 -2.011 1.00 23.40 H new ATOM 0 HD12 ILE A 43 -1.483 -9.944 -3.733 1.00 23.40 H new ATOM 0 HD13 ILE A 43 -2.198 -11.113 -2.597 1.00 23.40 H new ATOM 704 N LYS A 44 -0.062 -12.990 -7.261 1.00 72.30 N ATOM 705 CA LYS A 44 -0.433 -13.680 -8.495 1.00 11.00 C ATOM 706 C LYS A 44 0.791 -14.290 -9.172 1.00 32.30 C ATOM 707 O LYS A 44 0.808 -15.480 -9.491 1.00 10.20 O ATOM 708 CB LYS A 44 -1.129 -12.710 -9.451 1.00 65.50 C ATOM 709 CG LYS A 44 -2.261 -13.340 -10.240 1.00 25.10 C ATOM 710 CD LYS A 44 -1.872 -13.560 -11.690 1.00 23.20 C ATOM 711 CE LYS A 44 -1.459 -15.010 -11.950 1.00 43.40 C ATOM 712 NZ LYS A 44 -1.925 -15.490 -13.270 1.00 14.00 N ATOM 0 H LYS A 44 -0.304 -11.999 -7.241 1.00 72.30 H new ATOM 0 HA LYS A 44 -1.119 -14.487 -8.239 1.00 11.00 H new ATOM 0 HB2 LYS A 44 -1.520 -11.868 -8.880 1.00 65.50 H new ATOM 0 HB3 LYS A 44 -0.393 -12.308 -10.147 1.00 65.50 H new ATOM 0 HG2 LYS A 44 -2.536 -14.293 -9.787 1.00 25.10 H new ATOM 0 HG3 LYS A 44 -3.141 -12.699 -10.191 1.00 25.10 H new ATOM 0 HD2 LYS A 44 -2.711 -13.299 -12.336 1.00 23.20 H new ATOM 0 HD3 LYS A 44 -1.049 -12.895 -11.951 1.00 23.20 H new ATOM 0 HE2 LYS A 44 -0.373 -15.093 -11.896 1.00 43.40 H new ATOM 0 HE3 LYS A 44 -1.867 -15.649 -11.167 1.00 43.40 H new ATOM 0 HZ1 LYS A 44 -1.624 -16.476 -13.407 1.00 14.00 H new ATOM 0 HZ2 LYS A 44 -2.963 -15.435 -13.313 1.00 14.00 H new ATOM 0 HZ3 LYS A 44 -1.516 -14.896 -14.020 1.00 14.00 H new ATOM 726 N TYR A 45 1.812 -13.470 -9.391 1.00 30.50 N ATOM 727 CA TYR A 45 3.038 -13.930 -10.030 1.00 2.32 C ATOM 728 C TYR A 45 3.867 -14.780 -9.081 1.00 1.22 C ATOM 729 O TYR A 45 4.080 -15.970 -9.324 1.00 11.10 O ATOM 730 CB TYR A 45 3.865 -12.730 -10.510 1.00 41.00 C ATOM 731 CG TYR A 45 3.543 -12.300 -11.920 1.00 52.10 C ATOM 732 CD1 TYR A 45 2.254 -11.920 -12.280 1.00 34.20 C ATOM 733 CD2 TYR A 45 4.527 -12.270 -12.900 1.00 74.40 C ATOM 734 CE1 TYR A 45 1.956 -11.530 -13.570 1.00 32.30 C ATOM 735 CE2 TYR A 45 4.237 -11.880 -14.200 1.00 63.00 C ATOM 736 CZ TYR A 45 2.950 -11.510 -14.520 1.00 71.20 C ATOM 737 OH TYR A 45 2.656 -11.120 -15.810 1.00 60.50 O ATOM 0 H TYR A 45 1.815 -12.483 -9.135 1.00 30.50 H new ATOM 0 HA TYR A 45 2.761 -14.545 -10.886 1.00 2.32 H new ATOM 0 HB2 TYR A 45 3.697 -11.890 -9.836 1.00 41.00 H new ATOM 0 HB3 TYR A 45 4.924 -12.981 -10.448 1.00 41.00 H new ATOM 0 HD1 TYR A 45 1.471 -11.930 -11.536 1.00 34.20 H new ATOM 0 HD2 TYR A 45 5.537 -12.556 -12.645 1.00 74.40 H new ATOM 0 HE1 TYR A 45 0.948 -11.242 -13.832 1.00 32.30 H new ATOM 0 HE2 TYR A 45 5.012 -11.867 -14.952 1.00 63.00 H new ATOM 0 HH TYR A 45 3.468 -11.160 -16.357 1.00 60.50 H new ATOM 747 N GLU A 46 4.334 -14.170 -7.996 1.00 65.50 N ATOM 748 CA GLU A 46 5.143 -14.880 -7.009 1.00 34.40 C ATOM 749 C GLU A 46 4.271 -15.440 -5.888 1.00 62.20 C ATOM 750 O GLU A 46 4.055 -14.780 -4.870 1.00 3.03 O ATOM 751 CB GLU A 46 6.204 -13.940 -6.427 1.00 53.40 C ATOM 752 CG GLU A 46 7.410 -13.750 -7.331 1.00 42.00 C ATOM 753 CD GLU A 46 8.629 -14.510 -6.846 1.00 74.20 C ATOM 754 OE1 GLU A 46 8.733 -15.720 -7.144 1.00 53.40 O ATOM 755 OE2 GLU A 46 9.479 -13.900 -6.167 1.00 13.10 O ATOM 0 H GLU A 46 4.167 -13.188 -7.777 1.00 65.50 H new ATOM 0 HA GLU A 46 5.636 -15.714 -7.508 1.00 34.40 H new ATOM 0 HB2 GLU A 46 5.749 -12.969 -6.233 1.00 53.40 H new ATOM 0 HB3 GLU A 46 6.538 -14.333 -5.467 1.00 53.40 H new ATOM 0 HG2 GLU A 46 7.159 -14.079 -8.339 1.00 42.00 H new ATOM 0 HG3 GLU A 46 7.649 -12.688 -7.393 1.00 42.00 H new ATOM 762 N ALA A 47 3.774 -16.650 -6.083 1.00 53.10 N ATOM 763 CA ALA A 47 2.928 -17.300 -5.087 1.00 5.14 C ATOM 764 C ALA A 47 3.764 -18.100 -4.091 1.00 4.13 C ATOM 765 O ALA A 47 4.142 -19.240 -4.354 1.00 2.23 O ATOM 766 CB ALA A 47 1.910 -18.200 -5.766 1.00 41.40 C ATOM 0 H ALA A 47 3.940 -17.206 -6.922 1.00 53.10 H new ATOM 0 HA ALA A 47 2.399 -16.523 -4.535 1.00 5.14 H new ATOM 0 HB1 ALA A 47 1.286 -18.678 -5.011 1.00 41.40 H new ATOM 0 HB2 ALA A 47 1.284 -17.605 -6.430 1.00 41.40 H new ATOM 0 HB3 ALA A 47 2.429 -18.964 -6.345 1.00 41.40 H new ATOM 772 N HIS A 48 4.049 -17.490 -2.946 1.00 13.20 N ATOM 773 CA HIS A 48 4.842 -18.140 -1.909 1.00 62.50 C ATOM 774 C HIS A 48 3.999 -19.150 -1.140 1.00 11.20 C ATOM 775 O HIS A 48 2.890 -19.490 -1.552 1.00 34.50 O ATOM 776 CB HIS A 48 5.416 -17.090 -0.947 1.00 73.30 C ATOM 777 CG HIS A 48 6.899 -16.930 -1.061 1.00 4.51 C ATOM 778 ND1 HIS A 48 7.797 -17.900 -0.678 1.00 53.30 N ATOM 779 CD2 HIS A 48 7.644 -15.890 -1.521 1.00 64.30 C ATOM 780 CE1 HIS A 48 9.028 -17.470 -0.896 1.00 14.10 C ATOM 781 NE2 HIS A 48 8.962 -16.260 -1.407 1.00 3.14 N ATOM 0 H HIS A 48 3.743 -16.546 -2.712 1.00 13.20 H new ATOM 0 HA HIS A 48 5.665 -18.671 -2.387 1.00 62.50 H new ATOM 0 HB2 HIS A 48 4.938 -16.130 -1.141 1.00 73.30 H new ATOM 0 HB3 HIS A 48 5.165 -17.370 0.076 1.00 73.30 H new ATOM 0 HD2 HIS A 48 7.271 -14.951 -1.903 1.00 64.30 H new ATOM 0 HE1 HIS A 48 9.935 -18.019 -0.689 1.00 14.10 H new ATOM 0 HE2 HIS A 48 9.762 -15.687 -1.676 1.00 3.14 H new ATOM 790 N SER A 49 4.534 -19.630 -0.023 1.00 34.20 N ATOM 791 CA SER A 49 3.831 -20.610 0.801 1.00 5.50 C ATOM 792 C SER A 49 2.536 -20.020 1.355 1.00 43.50 C ATOM 793 O SER A 49 2.247 -18.840 1.165 1.00 13.30 O ATOM 794 CB SER A 49 4.726 -21.080 1.950 1.00 64.30 C ATOM 795 OG SER A 49 5.960 -21.580 1.465 1.00 2.24 O ATOM 0 H SER A 49 5.450 -19.358 0.333 1.00 34.20 H new ATOM 0 HA SER A 49 3.582 -21.466 0.174 1.00 5.50 H new ATOM 0 HB2 SER A 49 4.910 -20.251 2.634 1.00 64.30 H new ATOM 0 HB3 SER A 49 4.214 -21.856 2.519 1.00 64.30 H new ATOM 0 HG SER A 49 6.514 -21.872 2.219 1.00 2.24 H new ATOM 801 N ASP A 50 1.760 -20.860 2.040 1.00 52.30 N ATOM 802 CA ASP A 50 0.496 -20.420 2.622 1.00 35.10 C ATOM 803 C ASP A 50 0.726 -19.360 3.693 1.00 24.00 C ATOM 804 O ASP A 50 -0.109 -18.480 3.898 1.00 4.53 O ATOM 805 CB ASP A 50 -0.250 -21.610 3.222 1.00 13.20 C ATOM 806 CG ASP A 50 -0.905 -22.480 2.163 1.00 33.30 C ATOM 807 OD1 ASP A 50 -0.170 -23.130 1.391 1.00 43.40 O ATOM 808 OD2 ASP A 50 -2.153 -22.500 2.105 1.00 73.40 O ATOM 0 H ASP A 50 1.984 -21.842 2.204 1.00 52.30 H new ATOM 0 HA ASP A 50 -0.107 -19.981 1.827 1.00 35.10 H new ATOM 0 HB2 ASP A 50 0.445 -22.214 3.805 1.00 13.20 H new ATOM 0 HB3 ASP A 50 -1.012 -21.247 3.912 1.00 13.20 H new ATOM 813 N LYS A 51 1.862 -19.450 4.376 1.00 41.00 N ATOM 814 CA LYS A 51 2.201 -18.500 5.428 1.00 72.20 C ATOM 815 C LYS A 51 2.407 -17.100 4.854 1.00 60.30 C ATOM 816 O LYS A 51 1.871 -16.120 5.373 1.00 4.34 O ATOM 817 CB LYS A 51 3.465 -18.950 6.164 1.00 24.20 C ATOM 818 CG LYS A 51 3.477 -18.580 7.637 1.00 45.50 C ATOM 819 CD LYS A 51 4.744 -19.060 8.326 1.00 10.40 C ATOM 820 CE LYS A 51 5.715 -17.920 8.577 1.00 23.50 C ATOM 821 NZ LYS A 51 6.802 -17.880 7.561 1.00 73.10 N ATOM 0 H LYS A 51 2.564 -20.173 4.219 1.00 41.00 H new ATOM 0 HA LYS A 51 1.370 -18.467 6.132 1.00 72.20 H new ATOM 0 HB2 LYS A 51 3.565 -20.031 6.069 1.00 24.20 H new ATOM 0 HB3 LYS A 51 4.335 -18.506 5.680 1.00 24.20 H new ATOM 0 HG2 LYS A 51 3.393 -17.498 7.741 1.00 45.50 H new ATOM 0 HG3 LYS A 51 2.608 -19.016 8.129 1.00 45.50 H new ATOM 0 HD2 LYS A 51 4.486 -19.533 9.273 1.00 10.40 H new ATOM 0 HD3 LYS A 51 5.227 -19.820 7.711 1.00 10.40 H new ATOM 0 HE2 LYS A 51 5.174 -16.974 8.567 1.00 23.50 H new ATOM 0 HE3 LYS A 51 6.151 -18.027 9.570 1.00 23.50 H new ATOM 0 HZ1 LYS A 51 7.443 -17.088 7.769 1.00 73.10 H new ATOM 0 HZ2 LYS A 51 7.335 -18.772 7.588 1.00 73.10 H new ATOM 0 HZ3 LYS A 51 6.389 -17.752 6.615 1.00 73.10 H new ATOM 835 N ALA A 52 3.189 -17.020 3.784 1.00 20.30 N ATOM 836 CA ALA A 52 3.467 -15.740 3.141 1.00 13.10 C ATOM 837 C ALA A 52 2.258 -15.240 2.355 1.00 73.40 C ATOM 838 O ALA A 52 1.896 -14.070 2.431 1.00 72.40 O ATOM 839 CB ALA A 52 4.680 -15.860 2.231 1.00 55.30 C ATOM 0 H ALA A 52 3.640 -17.822 3.344 1.00 20.30 H new ATOM 0 HA ALA A 52 3.682 -15.010 3.922 1.00 13.10 H new ATOM 0 HB1 ALA A 52 4.876 -14.898 1.758 1.00 55.30 H new ATOM 0 HB2 ALA A 52 5.548 -16.159 2.819 1.00 55.30 H new ATOM 0 HB3 ALA A 52 4.486 -16.609 1.463 1.00 55.30 H new ATOM 845 N LYS A 53 1.639 -16.140 1.598 1.00 14.20 N ATOM 846 CA LYS A 53 0.472 -15.790 0.795 1.00 0.31 C ATOM 847 C LYS A 53 -0.659 -15.270 1.676 1.00 52.40 C ATOM 848 O LYS A 53 -1.431 -14.400 1.261 1.00 55.50 O ATOM 849 CB LYS A 53 -0.007 -17.010 -0.001 1.00 63.10 C ATOM 850 CG LYS A 53 0.790 -17.250 -1.270 1.00 45.40 C ATOM 851 CD LYS A 53 0.102 -18.270 -2.172 1.00 22.30 C ATOM 852 CE LYS A 53 -0.061 -19.610 -1.480 1.00 41.10 C ATOM 853 NZ LYS A 53 -0.138 -20.730 -2.455 1.00 72.40 N ATOM 0 H LYS A 53 1.925 -17.116 1.523 1.00 14.20 H new ATOM 0 HA LYS A 53 0.761 -15.000 0.102 1.00 0.31 H new ATOM 0 HB2 LYS A 53 0.055 -17.895 0.632 1.00 63.10 H new ATOM 0 HB3 LYS A 53 -1.057 -16.877 -0.260 1.00 63.10 H new ATOM 0 HG2 LYS A 53 0.913 -16.310 -1.808 1.00 45.40 H new ATOM 0 HG3 LYS A 53 1.789 -17.603 -1.013 1.00 45.40 H new ATOM 0 HD2 LYS A 53 -0.876 -17.892 -2.469 1.00 22.30 H new ATOM 0 HD3 LYS A 53 0.684 -18.400 -3.085 1.00 22.30 H new ATOM 0 HE2 LYS A 53 0.778 -19.774 -0.804 1.00 41.10 H new ATOM 0 HE3 LYS A 53 -0.964 -19.596 -0.870 1.00 41.10 H new ATOM 0 HZ1 LYS A 53 -0.249 -21.629 -1.943 1.00 72.40 H new ATOM 0 HZ2 LYS A 53 -0.953 -20.587 -3.084 1.00 72.40 H new ATOM 0 HZ3 LYS A 53 0.735 -20.759 -3.020 1.00 72.40 H new ATOM 867 N GLU A 54 -0.751 -15.800 2.891 1.00 62.10 N ATOM 868 CA GLU A 54 -1.790 -15.380 3.828 1.00 65.10 C ATOM 869 C GLU A 54 -1.487 -14.000 4.402 1.00 54.50 C ATOM 870 O GLU A 54 -2.392 -13.190 4.599 1.00 11.30 O ATOM 871 CB GLU A 54 -1.917 -16.400 4.962 1.00 34.40 C ATOM 872 CG GLU A 54 -2.877 -17.540 4.653 1.00 42.50 C ATOM 873 CD GLU A 54 -3.499 -18.130 5.902 1.00 72.10 C ATOM 874 OE1 GLU A 54 -2.913 -19.080 6.464 1.00 32.20 O ATOM 875 OE2 GLU A 54 -4.573 -17.650 6.317 1.00 1.32 O ATOM 0 H GLU A 54 -0.122 -16.518 3.250 1.00 62.10 H new ATOM 0 HA GLU A 54 -2.733 -15.324 3.285 1.00 65.10 H new ATOM 0 HB2 GLU A 54 -0.932 -16.814 5.179 1.00 34.40 H new ATOM 0 HB3 GLU A 54 -2.253 -15.888 5.864 1.00 34.40 H new ATOM 0 HG2 GLU A 54 -3.666 -17.177 3.995 1.00 42.50 H new ATOM 0 HG3 GLU A 54 -2.345 -18.322 4.112 1.00 42.50 H new ATOM 882 N SER A 55 -0.212 -13.740 4.669 1.00 44.40 N ATOM 883 CA SER A 55 0.209 -12.460 5.222 1.00 31.20 C ATOM 884 C SER A 55 -0.036 -11.330 4.228 1.00 42.20 C ATOM 885 O SER A 55 -0.458 -10.240 4.607 1.00 22.40 O ATOM 886 CB SER A 55 1.690 -12.510 5.604 1.00 65.20 C ATOM 887 OG SER A 55 1.878 -13.180 6.839 1.00 64.00 O ATOM 0 H SER A 55 0.549 -14.401 4.511 1.00 44.40 H new ATOM 0 HA SER A 55 -0.383 -12.265 6.116 1.00 31.20 H new ATOM 0 HB2 SER A 55 2.253 -13.019 4.822 1.00 65.20 H new ATOM 0 HB3 SER A 55 2.085 -11.496 5.673 1.00 65.20 H new ATOM 0 HG SER A 55 1.930 -14.146 6.683 1.00 64.00 H new ATOM 893 N ILE A 56 0.234 -11.600 2.955 1.00 21.40 N ATOM 894 CA ILE A 56 0.044 -10.600 1.907 1.00 73.10 C ATOM 895 C ILE A 56 -1.437 -10.350 1.650 1.00 31.30 C ATOM 896 O ILE A 56 -1.844 -9.229 1.364 1.00 3.34 O ATOM 897 CB ILE A 56 0.716 -11.040 0.589 1.00 44.20 C ATOM 898 CG1 ILE A 56 2.169 -11.450 0.840 1.00 14.30 C ATOM 899 CG2 ILE A 56 0.646 -9.923 -0.439 1.00 65.10 C ATOM 900 CD1 ILE A 56 2.698 -12.450 -0.166 1.00 52.30 C ATOM 0 H ILE A 56 0.584 -12.499 2.624 1.00 21.40 H new ATOM 0 HA ILE A 56 0.509 -9.678 2.256 1.00 73.10 H new ATOM 0 HB ILE A 56 0.179 -11.904 0.197 1.00 44.20 H new ATOM 0 HG12 ILE A 56 2.798 -10.560 0.820 1.00 14.30 H new ATOM 0 HG13 ILE A 56 2.250 -11.875 1.840 1.00 14.30 H new ATOM 0 HG21 ILE A 56 1.124 -10.248 -1.363 1.00 65.10 H new ATOM 0 HG22 ILE A 56 -0.397 -9.676 -0.637 1.00 65.10 H new ATOM 0 HG23 ILE A 56 1.161 -9.042 -0.055 1.00 65.10 H new ATOM 0 HD11 ILE A 56 3.733 -12.695 0.074 1.00 52.30 H new ATOM 0 HD12 ILE A 56 2.093 -13.356 -0.131 1.00 52.30 H new ATOM 0 HD13 ILE A 56 2.649 -12.020 -1.166 1.00 52.30 H new ATOM 912 N ARG A 57 -2.239 -11.410 1.751 1.00 13.30 N ATOM 913 CA ARG A 57 -3.676 -11.300 1.529 1.00 53.30 C ATOM 914 C ARG A 57 -4.345 -10.500 2.641 1.00 33.40 C ATOM 915 O ARG A 57 -5.205 -9.658 2.382 1.00 4.14 O ATOM 916 CB ARG A 57 -4.304 -12.690 1.439 1.00 45.40 C ATOM 917 CG ARG A 57 -5.547 -12.740 0.566 1.00 13.00 C ATOM 918 CD ARG A 57 -5.218 -13.190 -0.848 1.00 10.50 C ATOM 919 NE ARG A 57 -6.387 -13.150 -1.722 1.00 41.50 N ATOM 920 CZ ARG A 57 -6.873 -12.030 -2.257 1.00 31.50 C ATOM 921 NH1 ARG A 57 -6.295 -10.860 -2.010 1.00 42.50 N ATOM 922 NH2 ARG A 57 -7.941 -12.080 -3.043 1.00 13.50 N ATOM 0 H ARG A 57 -1.917 -12.349 1.984 1.00 13.30 H new ATOM 0 HA ARG A 57 -3.831 -10.773 0.587 1.00 53.30 H new ATOM 0 HB2 ARG A 57 -3.565 -13.389 1.046 1.00 45.40 H new ATOM 0 HB3 ARG A 57 -4.561 -13.029 2.442 1.00 45.40 H new ATOM 0 HG2 ARG A 57 -6.274 -13.422 1.006 1.00 13.00 H new ATOM 0 HG3 ARG A 57 -6.012 -11.754 0.536 1.00 13.00 H new ATOM 0 HD2 ARG A 57 -4.436 -12.551 -1.259 1.00 10.50 H new ATOM 0 HD3 ARG A 57 -4.820 -14.204 -0.822 1.00 10.50 H new ATOM 0 HE ARG A 57 -6.858 -14.029 -1.935 1.00 41.50 H new ATOM 0 HH11 ARG A 57 -5.473 -10.814 -1.407 1.00 42.50 H new ATOM 0 HH12 ARG A 57 -6.673 -10.007 -2.423 1.00 42.50 H new ATOM 0 HH21 ARG A 57 -8.390 -12.975 -3.237 1.00 13.50 H new ATOM 0 HH22 ARG A 57 -8.313 -11.223 -3.453 1.00 13.50 H new ATOM 936 N ALA A 58 -3.946 -10.770 3.880 1.00 41.40 N ATOM 937 CA ALA A 58 -4.509 -10.070 5.032 1.00 73.40 C ATOM 938 C ALA A 58 -4.043 -8.625 5.084 1.00 40.10 C ATOM 939 O ALA A 58 -4.778 -7.741 5.526 1.00 55.00 O ATOM 940 CB ALA A 58 -4.135 -10.790 6.317 1.00 41.30 C ATOM 0 H ALA A 58 -3.237 -11.466 4.113 1.00 41.40 H new ATOM 0 HA ALA A 58 -5.594 -10.068 4.927 1.00 73.40 H new ATOM 0 HB1 ALA A 58 -4.560 -10.259 7.169 1.00 41.30 H new ATOM 0 HB2 ALA A 58 -4.526 -11.807 6.291 1.00 41.30 H new ATOM 0 HB3 ALA A 58 -3.050 -10.821 6.414 1.00 41.30 H new ATOM 946 N LYS A 59 -2.816 -8.385 4.632 1.00 23.30 N ATOM 947 CA LYS A 59 -2.252 -7.040 4.630 1.00 73.10 C ATOM 948 C LYS A 59 -2.938 -6.161 3.588 1.00 64.30 C ATOM 949 O LYS A 59 -3.121 -4.961 3.796 1.00 32.20 O ATOM 950 CB LYS A 59 -0.747 -7.097 4.359 1.00 14.20 C ATOM 951 CG LYS A 59 0.101 -7.004 5.616 1.00 4.34 C ATOM 952 CD LYS A 59 1.485 -7.598 5.401 1.00 1.41 C ATOM 953 CE LYS A 59 2.034 -8.209 6.679 1.00 73.30 C ATOM 954 NZ LYS A 59 3.487 -7.935 6.847 1.00 3.45 N ATOM 0 H LYS A 59 -2.194 -9.104 4.263 1.00 23.30 H new ATOM 0 HA LYS A 59 -2.421 -6.601 5.613 1.00 73.10 H new ATOM 0 HB2 LYS A 59 -0.514 -8.028 3.842 1.00 14.20 H new ATOM 0 HB3 LYS A 59 -0.476 -6.283 3.687 1.00 14.20 H new ATOM 0 HG2 LYS A 59 0.195 -5.960 5.916 1.00 4.34 H new ATOM 0 HG3 LYS A 59 -0.398 -7.527 6.432 1.00 4.34 H new ATOM 0 HD2 LYS A 59 1.438 -8.360 4.623 1.00 1.41 H new ATOM 0 HD3 LYS A 59 2.164 -6.822 5.047 1.00 1.41 H new ATOM 0 HE2 LYS A 59 1.489 -7.811 7.535 1.00 73.30 H new ATOM 0 HE3 LYS A 59 1.867 -9.286 6.667 1.00 73.30 H new ATOM 0 HZ1 LYS A 59 3.822 -8.369 7.731 1.00 3.45 H new ATOM 0 HZ2 LYS A 59 4.011 -8.337 6.044 1.00 3.45 H new ATOM 0 HZ3 LYS A 59 3.645 -6.908 6.884 1.00 3.45 H new ATOM 968 N CYS A 60 -3.315 -6.766 2.466 1.00 1.15 N ATOM 969 CA CYS A 60 -3.980 -6.038 1.391 1.00 34.00 C ATOM 970 C CYS A 60 -5.318 -5.474 1.860 1.00 65.30 C ATOM 971 O CYS A 60 -5.708 -4.373 1.472 1.00 22.30 O ATOM 972 CB CYS A 60 -4.194 -6.953 0.184 1.00 61.00 C ATOM 973 SG CYS A 60 -2.835 -6.932 -1.009 1.00 41.00 S ATOM 0 H CYS A 60 -3.171 -7.758 2.278 1.00 1.15 H new ATOM 0 HA CYS A 60 -3.339 -5.206 1.099 1.00 34.00 H new ATOM 0 HB2 CYS A 60 -4.338 -7.974 0.537 1.00 61.00 H new ATOM 0 HB3 CYS A 60 -5.113 -6.659 -0.323 1.00 61.00 H new ATOM 0 HG CYS A 60 -3.108 -7.738 -1.992 1.00 41.00 H new ATOM 979 N VAL A 61 -6.017 -6.239 2.691 1.00 63.20 N ATOM 980 CA VAL A 61 -7.313 -5.817 3.211 1.00 34.10 C ATOM 981 C VAL A 61 -7.171 -4.627 4.154 1.00 34.50 C ATOM 982 O VAL A 61 -8.004 -3.720 4.154 1.00 62.30 O ATOM 983 CB VAL A 61 -8.018 -6.964 3.958 1.00 64.40 C ATOM 984 CG1 VAL A 61 -9.444 -6.574 4.316 1.00 22.10 C ATOM 985 CG2 VAL A 61 -8.001 -8.236 3.122 1.00 2.21 C ATOM 0 H VAL A 61 -5.708 -7.154 3.019 1.00 63.20 H new ATOM 0 HA VAL A 61 -7.916 -5.525 2.351 1.00 34.10 H new ATOM 0 HB VAL A 61 -7.475 -7.156 4.884 1.00 64.40 H new ATOM 0 HG11 VAL A 61 -9.925 -7.398 4.843 1.00 22.10 H new ATOM 0 HG12 VAL A 61 -9.430 -5.692 4.956 1.00 22.10 H new ATOM 0 HG13 VAL A 61 -10.000 -6.352 3.405 1.00 22.10 H new ATOM 0 HG21 VAL A 61 -8.504 -9.036 3.666 1.00 2.21 H new ATOM 0 HG22 VAL A 61 -8.518 -8.058 2.179 1.00 2.21 H new ATOM 0 HG23 VAL A 61 -6.970 -8.526 2.922 1.00 2.21 H new ATOM 995 N GLN A 62 -6.113 -4.637 4.958 1.00 60.30 N ATOM 996 CA GLN A 62 -5.866 -3.558 5.909 1.00 63.40 C ATOM 997 C GLN A 62 -5.352 -2.309 5.199 1.00 13.30 C ATOM 998 O GLN A 62 -5.674 -1.186 5.587 1.00 61.10 O ATOM 999 CB GLN A 62 -4.859 -4.008 6.970 1.00 32.20 C ATOM 1000 CG GLN A 62 -5.506 -4.642 8.190 1.00 43.10 C ATOM 1001 CD GLN A 62 -4.502 -5.339 9.086 1.00 75.40 C ATOM 1002 OE1 GLN A 62 -4.125 -6.486 8.840 1.00 34.50 O ATOM 1003 NE2 GLN A 62 -4.063 -4.650 10.133 1.00 10.20 N ATOM 0 H GLN A 62 -5.413 -5.379 4.971 1.00 60.30 H new ATOM 0 HA GLN A 62 -6.811 -3.312 6.394 1.00 63.40 H new ATOM 0 HB2 GLN A 62 -4.167 -4.722 6.523 1.00 32.20 H new ATOM 0 HB3 GLN A 62 -4.269 -3.148 7.287 1.00 32.20 H new ATOM 0 HG2 GLN A 62 -6.026 -3.873 8.762 1.00 43.10 H new ATOM 0 HG3 GLN A 62 -6.258 -5.361 7.865 1.00 43.10 H new ATOM 0 HE21 GLN A 62 -4.402 -3.702 10.299 1.00 10.20 H new ATOM 0 HE22 GLN A 62 -3.387 -5.068 10.772 1.00 10.20 H new ATOM 1012 N TYR A 63 -4.549 -2.511 4.159 1.00 42.40 N ATOM 1013 CA TYR A 63 -3.991 -1.399 3.398 1.00 13.40 C ATOM 1014 C TYR A 63 -5.070 -0.705 2.573 1.00 61.10 C ATOM 1015 O TYR A 63 -5.053 0.515 2.411 1.00 71.20 O ATOM 1016 CB TYR A 63 -2.871 -1.893 2.480 1.00 5.32 C ATOM 1017 CG TYR A 63 -1.568 -2.159 3.199 1.00 53.40 C ATOM 1018 CD1 TYR A 63 -0.957 -1.169 3.960 1.00 32.20 C ATOM 1019 CD2 TYR A 63 -0.948 -3.400 3.119 1.00 43.50 C ATOM 1020 CE1 TYR A 63 0.234 -1.407 4.619 1.00 4.45 C ATOM 1021 CE2 TYR A 63 0.242 -3.646 3.776 1.00 22.20 C ATOM 1022 CZ TYR A 63 0.829 -2.647 4.523 1.00 72.40 C ATOM 1023 OH TYR A 63 2.015 -2.890 5.178 1.00 20.20 O ATOM 0 H TYR A 63 -4.270 -3.433 3.824 1.00 42.40 H new ATOM 0 HA TYR A 63 -3.582 -0.678 4.106 1.00 13.40 H new ATOM 0 HB2 TYR A 63 -3.196 -2.808 1.985 1.00 5.32 H new ATOM 0 HB3 TYR A 63 -2.700 -1.152 1.699 1.00 5.32 H new ATOM 0 HD1 TYR A 63 -1.421 -0.197 4.037 1.00 32.20 H new ATOM 0 HD2 TYR A 63 -1.404 -4.185 2.534 1.00 43.50 H new ATOM 0 HE1 TYR A 63 0.696 -0.627 5.206 1.00 4.45 H new ATOM 0 HE2 TYR A 63 0.710 -4.617 3.705 1.00 22.20 H new ATOM 0 HH TYR A 63 2.299 -3.812 5.008 1.00 20.20 H new ATOM 1033 N LEU A 64 -6.006 -1.492 2.052 1.00 51.40 N ATOM 1034 CA LEU A 64 -7.093 -0.954 1.241 1.00 4.12 C ATOM 1035 C LEU A 64 -8.077 -0.162 2.098 1.00 64.20 C ATOM 1036 O LEU A 64 -8.710 0.781 1.621 1.00 21.10 O ATOM 1037 CB LEU A 64 -7.825 -2.087 0.519 1.00 62.40 C ATOM 1038 CG LEU A 64 -7.196 -2.523 -0.805 1.00 52.10 C ATOM 1039 CD1 LEU A 64 -7.431 -4.007 -1.042 1.00 61.30 C ATOM 1040 CD2 LEU A 64 -7.755 -1.701 -1.956 1.00 1.15 C ATOM 0 H LEU A 64 -6.034 -2.504 2.177 1.00 51.40 H new ATOM 0 HA LEU A 64 -6.661 -0.279 0.503 1.00 4.12 H new ATOM 0 HB2 LEU A 64 -7.872 -2.950 1.183 1.00 62.40 H new ATOM 0 HB3 LEU A 64 -8.852 -1.774 0.330 1.00 62.40 H new ATOM 0 HG LEU A 64 -6.121 -2.350 -0.751 1.00 52.10 H new ATOM 0 HD11 LEU A 64 -6.977 -4.301 -1.988 1.00 61.30 H new ATOM 0 HD12 LEU A 64 -6.982 -4.581 -0.231 1.00 61.30 H new ATOM 0 HD13 LEU A 64 -8.502 -4.205 -1.077 1.00 61.30 H new ATOM 0 HD21 LEU A 64 -7.296 -2.024 -2.890 1.00 1.15 H new ATOM 0 HD22 LEU A 64 -8.834 -1.842 -2.013 1.00 1.15 H new ATOM 0 HD23 LEU A 64 -7.535 -0.646 -1.790 1.00 1.15 H new ATOM 1052 N ASP A 65 -8.201 -0.549 3.363 1.00 55.10 N ATOM 1053 CA ASP A 65 -9.111 0.125 4.283 1.00 73.30 C ATOM 1054 C ASP A 65 -8.573 1.497 4.675 1.00 54.10 C ATOM 1055 O ASP A 65 -9.340 2.431 4.910 1.00 11.30 O ATOM 1056 CB ASP A 65 -9.328 -0.728 5.533 1.00 52.10 C ATOM 1057 CG ASP A 65 -10.740 -0.618 6.069 1.00 44.40 C ATOM 1058 OD1 ASP A 65 -11.260 0.516 6.150 1.00 53.30 O ATOM 1059 OD2 ASP A 65 -11.330 -1.665 6.410 1.00 53.40 O ATOM 0 H ASP A 65 -7.683 -1.325 3.775 1.00 55.10 H new ATOM 0 HA ASP A 65 -10.066 0.262 3.775 1.00 73.30 H new ATOM 0 HB2 ASP A 65 -9.111 -1.770 5.300 1.00 52.10 H new ATOM 0 HB3 ASP A 65 -8.624 -0.421 6.306 1.00 52.10 H new ATOM 1064 N ARG A 66 -7.252 1.612 4.748 1.00 43.50 N ATOM 1065 CA ARG A 66 -6.613 2.870 5.116 1.00 63.20 C ATOM 1066 C ARG A 66 -6.658 3.865 3.959 1.00 14.30 C ATOM 1067 O ARG A 66 -6.736 5.075 4.170 1.00 25.10 O ATOM 1068 CB ARG A 66 -5.163 2.626 5.537 1.00 53.10 C ATOM 1069 CG ARG A 66 -4.708 3.507 6.690 1.00 44.20 C ATOM 1070 CD ARG A 66 -5.075 2.900 8.033 1.00 45.40 C ATOM 1071 NE ARG A 66 -6.338 3.427 8.547 1.00 14.40 N ATOM 1072 CZ ARG A 66 -7.058 2.835 9.496 1.00 62.10 C ATOM 1073 NH1 ARG A 66 -6.645 1.697 10.038 1.00 21.00 N ATOM 1074 NH2 ARG A 66 -8.194 3.384 9.905 1.00 12.40 N ATOM 0 H ARG A 66 -6.602 0.849 4.557 1.00 43.50 H new ATOM 0 HA ARG A 66 -7.162 3.294 5.957 1.00 63.20 H new ATOM 0 HB2 ARG A 66 -5.047 1.580 5.822 1.00 53.10 H new ATOM 0 HB3 ARG A 66 -4.511 2.797 4.680 1.00 53.10 H new ATOM 0 HG2 ARG A 66 -3.629 3.649 6.637 1.00 44.20 H new ATOM 0 HG3 ARG A 66 -5.164 4.493 6.598 1.00 44.20 H new ATOM 0 HD2 ARG A 66 -5.148 1.817 7.933 1.00 45.40 H new ATOM 0 HD3 ARG A 66 -4.280 3.101 8.751 1.00 45.40 H new ATOM 0 HE ARG A 66 -6.688 4.301 8.154 1.00 14.40 H new ATOM 0 HH11 ARG A 66 -5.771 1.272 9.727 1.00 21.00 H new ATOM 0 HH12 ARG A 66 -7.201 1.247 10.765 1.00 21.00 H new ATOM 0 HH21 ARG A 66 -8.515 4.260 9.492 1.00 12.40 H new ATOM 0 HH22 ARG A 66 -8.747 2.931 10.633 1.00 12.40 H new ATOM 1088 N ALA A 67 -6.607 3.345 2.737 1.00 70.30 N ATOM 1089 CA ALA A 67 -6.641 4.188 1.546 1.00 54.10 C ATOM 1090 C ALA A 67 -8.005 4.850 1.378 1.00 1.53 C ATOM 1091 O ALA A 67 -8.109 5.947 0.829 1.00 42.10 O ATOM 1092 CB ALA A 67 -6.293 3.370 0.313 1.00 51.10 C ATOM 0 H ALA A 67 -6.542 2.345 2.545 1.00 70.30 H new ATOM 0 HA ALA A 67 -5.898 4.977 1.668 1.00 54.10 H new ATOM 0 HB1 ALA A 67 -6.322 4.010 -0.569 1.00 51.10 H new ATOM 0 HB2 ALA A 67 -5.293 2.951 0.425 1.00 51.10 H new ATOM 0 HB3 ALA A 67 -7.014 2.561 0.198 1.00 51.10 H new ATOM 1098 N GLU A 68 -9.048 4.176 1.850 1.00 74.20 N ATOM 1099 CA GLU A 68 -10.400 4.699 1.748 1.00 71.50 C ATOM 1100 C GLU A 68 -10.600 5.885 2.686 1.00 23.40 C ATOM 1101 O GLU A 68 -11.170 6.906 2.299 1.00 62.20 O ATOM 1102 CB GLU A 68 -11.420 3.603 2.068 1.00 53.50 C ATOM 1103 CG GLU A 68 -11.750 2.716 0.880 1.00 23.40 C ATOM 1104 CD GLU A 68 -12.740 1.618 1.229 1.00 32.40 C ATOM 1105 OE1 GLU A 68 -12.320 0.628 1.867 1.00 11.30 O ATOM 1106 OE2 GLU A 68 -13.920 1.749 0.867 1.00 35.50 O ATOM 0 H GLU A 68 -8.980 3.266 2.307 1.00 74.20 H new ATOM 0 HA GLU A 68 -10.552 5.040 0.724 1.00 71.50 H new ATOM 0 HB2 GLU A 68 -11.034 2.984 2.877 1.00 53.50 H new ATOM 0 HB3 GLU A 68 -12.337 4.066 2.431 1.00 53.50 H new ATOM 0 HG2 GLU A 68 -12.160 3.328 0.077 1.00 23.40 H new ATOM 0 HG3 GLU A 68 -10.832 2.266 0.501 1.00 23.40 H new ATOM 1113 N LYS A 69 -10.140 5.741 3.922 1.00 65.10 N ATOM 1114 CA LYS A 69 -10.270 6.799 4.918 1.00 21.30 C ATOM 1115 C LYS A 69 -9.504 8.048 4.494 1.00 2.25 C ATOM 1116 O LYS A 69 -9.886 9.168 4.835 1.00 55.40 O ATOM 1117 CB LYS A 69 -9.769 6.312 6.278 1.00 3.54 C ATOM 1118 CG LYS A 69 -10.660 6.715 7.438 1.00 11.30 C ATOM 1119 CD LYS A 69 -11.610 5.591 7.829 1.00 34.30 C ATOM 1120 CE LYS A 69 -12.590 6.036 8.899 1.00 21.10 C ATOM 1121 NZ LYS A 69 -13.870 5.272 8.834 1.00 52.50 N ATOM 0 H LYS A 69 -9.672 4.900 4.260 1.00 65.10 H new ATOM 0 HA LYS A 69 -11.326 7.057 5.000 1.00 21.30 H new ATOM 0 HB2 LYS A 69 -9.686 5.225 6.256 1.00 3.54 H new ATOM 0 HB3 LYS A 69 -8.767 6.705 6.448 1.00 3.54 H new ATOM 0 HG2 LYS A 69 -10.043 6.986 8.295 1.00 11.30 H new ATOM 0 HG3 LYS A 69 -11.235 7.600 7.166 1.00 11.30 H new ATOM 0 HD2 LYS A 69 -12.159 5.255 6.949 1.00 34.30 H new ATOM 0 HD3 LYS A 69 -11.036 4.738 8.192 1.00 34.30 H new ATOM 0 HE2 LYS A 69 -12.138 5.904 9.882 1.00 21.10 H new ATOM 0 HE3 LYS A 69 -12.796 7.100 8.783 1.00 21.10 H new ATOM 0 HZ1 LYS A 69 -14.512 5.606 9.581 1.00 52.50 H new ATOM 0 HZ2 LYS A 69 -14.314 5.418 7.905 1.00 52.50 H new ATOM 0 HZ3 LYS A 69 -13.677 4.259 8.971 1.00 52.50 H new ATOM 1135 N LEU A 70 -8.421 7.848 3.752 1.00 31.20 N ATOM 1136 CA LEU A 70 -7.599 8.960 3.285 1.00 73.40 C ATOM 1137 C LEU A 70 -8.367 9.828 2.293 1.00 25.30 C ATOM 1138 O LEU A 70 -8.412 11.051 2.430 1.00 34.50 O ATOM 1139 CB LEU A 70 -6.317 8.435 2.635 1.00 3.03 C ATOM 1140 CG LEU A 70 -5.285 7.863 3.608 1.00 22.40 C ATOM 1141 CD1 LEU A 70 -4.259 7.022 2.864 1.00 64.20 C ATOM 1142 CD2 LEU A 70 -4.602 8.983 4.377 1.00 72.40 C ATOM 0 H LEU A 70 -8.091 6.928 3.461 1.00 31.20 H new ATOM 0 HA LEU A 70 -7.337 9.573 4.148 1.00 73.40 H new ATOM 0 HB2 LEU A 70 -6.583 7.661 1.915 1.00 3.03 H new ATOM 0 HB3 LEU A 70 -5.854 9.246 2.074 1.00 3.03 H new ATOM 0 HG LEU A 70 -5.802 7.221 4.321 1.00 22.40 H new ATOM 0 HD11 LEU A 70 -3.533 6.623 3.572 1.00 64.20 H new ATOM 0 HD12 LEU A 70 -4.762 6.198 2.358 1.00 64.20 H new ATOM 0 HD13 LEU A 70 -3.746 7.641 2.128 1.00 64.20 H new ATOM 0 HD21 LEU A 70 -3.871 8.559 5.065 1.00 72.40 H new ATOM 0 HD22 LEU A 70 -4.098 9.650 3.678 1.00 72.40 H new ATOM 0 HD23 LEU A 70 -5.347 9.544 4.941 1.00 72.40 H new ATOM 1154 N LYS A 71 -8.966 9.189 1.295 1.00 22.50 N ATOM 1155 CA LYS A 71 -9.730 9.904 0.279 1.00 11.30 C ATOM 1156 C LYS A 71 -11.000 10.491 0.869 1.00 2.23 C ATOM 1157 O LYS A 71 -11.460 11.559 0.457 1.00 43.00 O ATOM 1158 CB LYS A 71 -10.070 8.971 -0.883 1.00 12.10 C ATOM 1159 CG LYS A 71 -10.820 7.722 -0.458 1.00 10.10 C ATOM 1160 CD LYS A 71 -11.640 7.141 -1.607 1.00 34.50 C ATOM 1161 CE LYS A 71 -11.010 5.861 -2.140 1.00 72.50 C ATOM 1162 NZ LYS A 71 -11.830 5.256 -3.226 1.00 34.10 N ATOM 0 H LYS A 71 -8.938 8.177 1.167 1.00 22.50 H new ATOM 0 HA LYS A 71 -9.116 10.724 -0.094 1.00 11.30 H new ATOM 0 HB2 LYS A 71 -10.671 9.515 -1.612 1.00 12.10 H new ATOM 0 HB3 LYS A 71 -9.148 8.678 -1.385 1.00 12.10 H new ATOM 0 HG2 LYS A 71 -10.111 6.975 -0.102 1.00 10.10 H new ATOM 0 HG3 LYS A 71 -11.479 7.959 0.377 1.00 10.10 H new ATOM 0 HD2 LYS A 71 -12.655 6.936 -1.266 1.00 34.50 H new ATOM 0 HD3 LYS A 71 -11.716 7.874 -2.410 1.00 34.50 H new ATOM 0 HE2 LYS A 71 -10.010 6.076 -2.516 1.00 72.50 H new ATOM 0 HE3 LYS A 71 -10.897 5.144 -1.326 1.00 72.50 H new ATOM 0 HZ1 LYS A 71 -11.371 4.387 -3.565 1.00 34.10 H new ATOM 0 HZ2 LYS A 71 -12.776 5.028 -2.860 1.00 34.10 H new ATOM 0 HZ3 LYS A 71 -11.916 5.931 -4.013 1.00 34.10 H new ATOM 1176 N ASP A 72 -11.590 9.784 1.833 1.00 61.20 N ATOM 1177 CA ASP A 72 -12.810 10.236 2.478 1.00 42.20 C ATOM 1178 C ASP A 72 -12.560 11.470 3.336 1.00 24.10 C ATOM 1179 O ASP A 72 -13.440 12.313 3.504 1.00 51.20 O ATOM 1180 CB ASP A 72 -13.400 9.115 3.337 1.00 42.00 C ATOM 1181 CG ASP A 72 -14.440 8.297 2.588 1.00 62.10 C ATOM 1182 OD1 ASP A 72 -14.130 7.834 1.469 1.00 15.40 O ATOM 1183 OD2 ASP A 72 -15.550 8.118 3.121 1.00 73.10 O ATOM 0 H ASP A 72 -11.236 8.893 2.181 1.00 61.20 H new ATOM 0 HA ASP A 72 -13.521 10.505 1.697 1.00 42.20 H new ATOM 0 HB2 ASP A 72 -12.598 8.458 3.673 1.00 42.00 H new ATOM 0 HB3 ASP A 72 -13.854 9.546 4.229 1.00 42.00 H new ATOM 1188 N TYR A 73 -11.350 11.571 3.878 1.00 42.10 N ATOM 1189 CA TYR A 73 -10.980 12.704 4.720 1.00 2.21 C ATOM 1190 C TYR A 73 -10.800 13.967 3.887 1.00 64.00 C ATOM 1191 O TYR A 73 -11.350 15.020 4.205 1.00 61.30 O ATOM 1192 CB TYR A 73 -9.704 12.396 5.494 1.00 35.00 C ATOM 1193 CG TYR A 73 -9.275 13.508 6.424 1.00 12.40 C ATOM 1194 CD1 TYR A 73 -8.634 14.640 5.936 1.00 23.30 C ATOM 1195 CD2 TYR A 73 -9.514 13.427 7.791 1.00 32.40 C ATOM 1196 CE1 TYR A 73 -8.241 15.658 6.783 1.00 52.20 C ATOM 1197 CE2 TYR A 73 -9.124 14.442 8.644 1.00 23.50 C ATOM 1198 CZ TYR A 73 -8.488 15.554 8.135 1.00 2.34 C ATOM 1199 OH TYR A 73 -8.099 16.567 8.983 1.00 64.40 O ATOM 0 H TYR A 73 -10.609 10.882 3.749 1.00 42.10 H new ATOM 0 HA TYR A 73 -11.789 12.876 5.430 1.00 2.21 H new ATOM 0 HB2 TYR A 73 -9.852 11.486 6.075 1.00 35.00 H new ATOM 0 HB3 TYR A 73 -8.900 12.195 4.786 1.00 35.00 H new ATOM 0 HD1 TYR A 73 -8.440 14.725 4.877 1.00 23.30 H new ATOM 0 HD2 TYR A 73 -10.012 12.557 8.193 1.00 32.40 H new ATOM 0 HE1 TYR A 73 -7.743 16.531 6.388 1.00 52.20 H new ATOM 0 HE2 TYR A 73 -9.317 14.364 9.704 1.00 23.50 H new ATOM 0 HH TYR A 73 -8.348 16.338 9.903 1.00 64.40 H new ATOM 1209 N LEU A 74 -10.010 13.857 2.820 1.00 33.30 N ATOM 1210 CA LEU A 74 -9.758 14.993 1.941 1.00 4.03 C ATOM 1211 C LEU A 74 -11.000 15.367 1.148 1.00 73.00 C ATOM 1212 O LEU A 74 -11.230 16.539 0.845 1.00 64.40 O ATOM 1213 CB LEU A 74 -8.608 14.672 0.984 1.00 14.30 C ATOM 1214 CG LEU A 74 -8.829 13.448 0.093 1.00 62.40 C ATOM 1215 CD1 LEU A 74 -9.479 13.856 -1.221 1.00 4.50 C ATOM 1216 CD2 LEU A 74 -7.512 12.731 -0.162 1.00 13.50 C ATOM 0 H LEU A 74 -9.536 12.996 2.546 1.00 33.30 H new ATOM 0 HA LEU A 74 -9.485 15.844 2.565 1.00 4.03 H new ATOM 0 HB2 LEU A 74 -8.433 15.539 0.347 1.00 14.30 H new ATOM 0 HB3 LEU A 74 -7.701 14.518 1.569 1.00 14.30 H new ATOM 0 HG LEU A 74 -9.500 12.761 0.609 1.00 62.40 H new ATOM 0 HD11 LEU A 74 -9.629 12.973 -1.842 1.00 4.50 H new ATOM 0 HD12 LEU A 74 -10.442 14.326 -1.020 1.00 4.50 H new ATOM 0 HD13 LEU A 74 -8.833 14.562 -1.743 1.00 4.50 H new ATOM 0 HD21 LEU A 74 -7.687 11.863 -0.797 1.00 13.50 H new ATOM 0 HD22 LEU A 74 -6.818 13.410 -0.658 1.00 13.50 H new ATOM 0 HD23 LEU A 74 -7.085 12.406 0.787 1.00 13.50 H new ATOM 1228 N ARG A 75 -11.810 14.365 0.815 1.00 62.00 N ATOM 1229 CA ARG A 75 -13.030 14.591 0.057 1.00 50.00 C ATOM 1230 C ARG A 75 -14.050 15.362 0.887 1.00 55.40 C ATOM 1231 O ARG A 75 -14.650 16.333 0.416 1.00 24.20 O ATOM 1232 CB ARG A 75 -13.630 13.258 -0.397 1.00 41.20 C ATOM 1233 CG ARG A 75 -13.020 12.724 -1.683 1.00 4.41 C ATOM 1234 CD ARG A 75 -13.720 11.460 -2.151 1.00 12.30 C ATOM 1235 NE ARG A 75 -14.760 11.747 -3.136 1.00 73.40 N ATOM 1236 CZ ARG A 75 -15.710 10.878 -3.488 1.00 21.40 C ATOM 1237 NH1 ARG A 75 -15.750 9.669 -2.941 1.00 50.30 N ATOM 1238 NH2 ARG A 75 -16.620 11.218 -4.391 1.00 23.20 N ATOM 0 H ARG A 75 -11.640 13.390 1.060 1.00 62.00 H new ATOM 0 HA ARG A 75 -12.777 15.185 -0.821 1.00 50.00 H new ATOM 0 HB2 ARG A 75 -13.495 12.520 0.394 1.00 41.20 H new ATOM 0 HB3 ARG A 75 -14.704 13.381 -0.538 1.00 41.20 H new ATOM 0 HG2 ARG A 75 -13.084 13.485 -2.460 1.00 4.41 H new ATOM 0 HG3 ARG A 75 -11.961 12.517 -1.526 1.00 4.41 H new ATOM 0 HD2 ARG A 75 -12.988 10.778 -2.584 1.00 12.30 H new ATOM 0 HD3 ARG A 75 -14.162 10.951 -1.294 1.00 12.30 H new ATOM 0 HE ARG A 75 -14.760 12.665 -3.581 1.00 73.40 H new ATOM 0 HH11 ARG A 75 -15.052 9.400 -2.247 1.00 50.30 H new ATOM 0 HH12 ARG A 75 -16.479 9.009 -3.214 1.00 50.30 H new ATOM 0 HH21 ARG A 75 -16.594 12.144 -4.817 1.00 23.20 H new ATOM 0 HH22 ARG A 75 -17.346 10.553 -4.659 1.00 23.20 H new ATOM 1252 N SER A 76 -14.260 14.923 2.125 1.00 63.20 N ATOM 1253 CA SER A 76 -15.210 15.572 3.021 1.00 2.23 C ATOM 1254 C SER A 76 -14.780 17.005 3.321 1.00 70.20 C ATOM 1255 O SER A 76 -15.570 17.940 3.188 1.00 63.30 O ATOM 1256 CB SER A 76 -15.330 14.782 4.324 1.00 12.10 C ATOM 1257 OG SER A 76 -16.660 14.832 4.827 1.00 60.40 O ATOM 0 H SER A 76 -13.783 14.118 2.531 1.00 63.20 H new ATOM 0 HA SER A 76 -16.181 15.598 2.527 1.00 2.23 H new ATOM 0 HB2 SER A 76 -15.040 13.745 4.153 1.00 12.10 H new ATOM 0 HB3 SER A 76 -14.641 15.188 5.065 1.00 12.10 H new ATOM 0 HG SER A 76 -16.714 14.319 5.660 1.00 60.40 H new