USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 410 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 14 MET CE :methyl 171:sc= -1.99 (180deg=-1.52) USER MOD Set 1.2: A 34 HIS :FLIP no HE2:sc= -1.03 F(o=-5.1,f=-3) USER MOD Set 2.1: A 24 LYS NZ :NH3+ 159:sc= 0.447 (180deg=0) USER MOD Set 2.2: A 28 THR OG1 : rot -80:sc= 0.416 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= -0.181 (180deg=-0.585) USER MOD Single : A 11 TYR OH : rot -70:sc= -2.03 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.5!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.093 K(o=-0.093,f=-1.6!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -150:sc= -2.49 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 4 6.293 3.979 9.451 1.00 0.00 N ATOM 34 CA LYS A 4 5.089 4.164 8.659 1.00 0.00 C ATOM 35 C LYS A 4 5.375 5.156 7.530 1.00 0.00 C ATOM 36 O LYS A 4 4.875 4.997 6.417 1.00 0.00 O ATOM 37 CB LYS A 4 3.916 4.570 9.553 1.00 0.00 C ATOM 38 CG LYS A 4 2.872 3.455 9.630 1.00 0.00 C ATOM 39 CD LYS A 4 3.422 2.239 10.378 1.00 0.00 C ATOM 40 CE LYS A 4 2.521 1.019 10.179 1.00 0.00 C ATOM 41 NZ LYS A 4 3.092 0.113 9.158 1.00 0.00 N ATOM 0 HA LYS A 4 4.792 3.225 8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.280 4.801 10.554 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.455 5.478 9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.978 3.823 10.134 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.572 3.162 8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.428 2.014 10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.502 2.467 11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.407 0.486 11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.526 1.341 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.468 -0.710 9.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.178 0.620 8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.032 -0.209 9.466 1.00 0.00 H new ATOM 51 N ILE A 5 6.177 6.159 7.856 1.00 0.00 N ATOM 52 CA ILE A 5 6.535 7.177 6.883 1.00 0.00 C ATOM 53 C ILE A 5 7.185 6.510 5.669 1.00 0.00 C ATOM 54 O ILE A 5 6.712 6.664 4.544 1.00 0.00 O ATOM 55 CB ILE A 5 7.406 8.256 7.531 1.00 0.00 C ATOM 56 CG1 ILE A 5 6.580 9.131 8.477 1.00 0.00 C ATOM 57 CG2 ILE A 5 8.133 9.085 6.471 1.00 0.00 C ATOM 58 CD1 ILE A 5 7.486 9.929 9.416 1.00 0.00 C ATOM 0 H ILE A 5 6.589 6.288 8.780 1.00 0.00 H new ATOM 0 HA ILE A 5 5.643 7.692 6.526 1.00 0.00 H new ATOM 0 HB ILE A 5 8.170 7.763 8.132 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.959 9.814 7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.906 8.505 9.061 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.744 9.844 6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.771 8.433 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.402 9.569 5.823 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.874 10.542 10.078 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.088 9.242 10.011 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.142 10.572 8.829 1.00 0.00 H new ATOM 69 N GLY A 6 8.260 5.783 5.938 1.00 0.00 N ATOM 70 CA GLY A 6 8.980 5.093 4.881 1.00 0.00 C ATOM 71 C GLY A 6 8.012 4.370 3.941 1.00 0.00 C ATOM 72 O GLY A 6 7.912 4.713 2.764 1.00 0.00 O ATOM 0 H GLY A 6 8.650 5.657 6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 6 9.576 5.809 4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.674 4.375 5.317 1.00 0.00 H new ATOM 76 N LEU A 7 7.325 3.383 4.496 1.00 0.00 N ATOM 77 CA LEU A 7 6.370 2.609 3.722 1.00 0.00 C ATOM 78 C LEU A 7 5.443 3.561 2.964 1.00 0.00 C ATOM 79 O LEU A 7 5.049 3.279 1.833 1.00 0.00 O ATOM 80 CB LEU A 7 5.629 1.616 4.621 1.00 0.00 C ATOM 81 CG LEU A 7 5.616 0.162 4.146 1.00 0.00 C ATOM 82 CD1 LEU A 7 7.039 -0.368 3.961 1.00 0.00 C ATOM 83 CD2 LEU A 7 4.797 -0.716 5.095 1.00 0.00 C ATOM 0 H LEU A 7 7.411 3.101 5.473 1.00 0.00 H new ATOM 0 HA LEU A 7 6.886 2.004 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.079 1.649 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.598 1.952 4.727 1.00 0.00 H new ATOM 0 HG LEU A 7 5.130 0.125 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.000 -1.404 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.559 0.237 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.573 -0.316 4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.803 -1.745 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.233 -0.678 6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.771 -0.351 5.133 1.00 0.00 H new ATOM 94 N LYS A 8 5.122 4.669 3.616 1.00 0.00 N ATOM 95 CA LYS A 8 4.250 5.664 3.018 1.00 0.00 C ATOM 96 C LYS A 8 4.960 6.309 1.826 1.00 0.00 C ATOM 97 O LYS A 8 4.337 6.578 0.800 1.00 0.00 O ATOM 98 CB LYS A 8 3.783 6.669 4.072 1.00 0.00 C ATOM 99 CG LYS A 8 2.473 7.338 3.649 1.00 0.00 C ATOM 100 CD LYS A 8 1.561 7.571 4.856 1.00 0.00 C ATOM 101 CE LYS A 8 1.874 8.907 5.531 1.00 0.00 C ATOM 102 NZ LYS A 8 3.064 8.782 6.402 1.00 0.00 N ATOM 0 H LYS A 8 5.451 4.899 4.554 1.00 0.00 H new ATOM 0 HA LYS A 8 3.344 5.195 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.645 6.162 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.551 7.428 4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.687 8.289 3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.961 6.713 2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.519 7.556 4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.686 6.759 5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.049 9.671 4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.017 9.233 6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.116 9.602 7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.992 7.910 6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.922 8.745 5.815 1.00 0.00 H new ATOM 112 N VAL A 9 6.253 6.536 2.001 1.00 0.00 N ATOM 113 CA VAL A 9 7.055 7.143 0.953 1.00 0.00 C ATOM 114 C VAL A 9 7.005 6.262 -0.297 1.00 0.00 C ATOM 115 O VAL A 9 6.615 6.722 -1.370 1.00 0.00 O ATOM 116 CB VAL A 9 8.480 7.385 1.456 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.407 7.785 0.307 1.00 0.00 C ATOM 118 CG2 VAL A 9 8.497 8.437 2.566 1.00 0.00 C ATOM 0 H VAL A 9 6.766 6.310 2.853 1.00 0.00 H new ATOM 0 HA VAL A 9 6.651 8.118 0.681 1.00 0.00 H new ATOM 0 HB VAL A 9 8.851 6.450 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.413 7.951 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.430 6.988 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.040 8.701 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.521 8.591 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.097 9.376 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.885 8.095 3.401 1.00 0.00 H new ATOM 128 N LEU A 10 7.404 5.012 -0.118 1.00 0.00 N ATOM 129 CA LEU A 10 7.409 4.062 -1.217 1.00 0.00 C ATOM 130 C LEU A 10 6.020 4.023 -1.857 1.00 0.00 C ATOM 131 O LEU A 10 5.890 4.140 -3.075 1.00 0.00 O ATOM 132 CB LEU A 10 7.906 2.695 -0.743 1.00 0.00 C ATOM 133 CG LEU A 10 9.385 2.394 -0.997 1.00 0.00 C ATOM 134 CD1 LEU A 10 10.199 2.516 0.293 1.00 0.00 C ATOM 135 CD2 LEU A 10 9.560 1.026 -1.659 1.00 0.00 C ATOM 0 H LEU A 10 7.727 4.634 0.773 1.00 0.00 H new ATOM 0 HA LEU A 10 8.109 4.378 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.718 2.613 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.310 1.924 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 10 9.771 3.139 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.246 2.297 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.111 3.530 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.820 1.808 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.620 0.837 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.153 0.252 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.032 1.013 -2.613 1.00 0.00 H new ATOM 146 N TYR A 11 5.016 3.857 -1.009 1.00 0.00 N ATOM 147 CA TYR A 11 3.642 3.802 -1.477 1.00 0.00 C ATOM 148 C TYR A 11 3.253 5.096 -2.193 1.00 0.00 C ATOM 149 O TYR A 11 2.727 5.061 -3.304 1.00 0.00 O ATOM 150 CB TYR A 11 2.776 3.646 -0.224 1.00 0.00 C ATOM 151 CG TYR A 11 1.382 4.262 -0.351 1.00 0.00 C ATOM 152 CD1 TYR A 11 0.725 4.240 -1.565 1.00 0.00 C ATOM 153 CD2 TYR A 11 0.780 4.841 0.749 1.00 0.00 C ATOM 154 CE1 TYR A 11 -0.587 4.821 -1.685 1.00 0.00 C ATOM 155 CE2 TYR A 11 -0.533 5.421 0.628 1.00 0.00 C ATOM 156 CZ TYR A 11 -1.151 5.382 -0.582 1.00 0.00 C ATOM 157 OH TYR A 11 -2.391 5.930 -0.694 1.00 0.00 O ATOM 0 H TYR A 11 5.127 3.759 0.000 1.00 0.00 H new ATOM 0 HA TYR A 11 3.510 2.981 -2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.674 2.585 0.005 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.290 4.106 0.620 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.195 3.787 -2.425 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.293 4.859 1.699 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.111 4.811 -2.629 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.016 5.877 1.480 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.341 6.743 -1.239 1.00 0.00 H new ATOM 166 N LYS A 12 3.527 6.209 -1.527 1.00 0.00 N ATOM 167 CA LYS A 12 3.213 7.512 -2.087 1.00 0.00 C ATOM 168 C LYS A 12 3.931 7.674 -3.428 1.00 0.00 C ATOM 169 O LYS A 12 3.421 8.332 -4.334 1.00 0.00 O ATOM 170 CB LYS A 12 3.534 8.619 -1.080 1.00 0.00 C ATOM 171 CG LYS A 12 3.791 9.949 -1.791 1.00 0.00 C ATOM 172 CD LYS A 12 5.182 9.970 -2.428 1.00 0.00 C ATOM 173 CE LYS A 12 5.892 11.297 -2.151 1.00 0.00 C ATOM 174 NZ LYS A 12 6.438 11.863 -3.404 1.00 0.00 N ATOM 0 H LYS A 12 3.963 6.235 -0.605 1.00 0.00 H new ATOM 0 HA LYS A 12 2.144 7.593 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.706 8.731 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.410 8.340 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.033 10.108 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.701 10.769 -1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.778 9.146 -2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.096 9.817 -3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.194 12.002 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.698 11.142 -1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.917 12.763 -3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.119 11.195 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.663 12.029 -4.077 1.00 0.00 H new ATOM 184 N LEU A 13 5.103 7.061 -3.513 1.00 0.00 N ATOM 185 CA LEU A 13 5.896 7.128 -4.728 1.00 0.00 C ATOM 186 C LEU A 13 5.341 6.134 -5.750 1.00 0.00 C ATOM 187 O LEU A 13 4.840 6.532 -6.801 1.00 0.00 O ATOM 188 CB LEU A 13 7.379 6.923 -4.413 1.00 0.00 C ATOM 189 CG LEU A 13 8.365 7.381 -5.489 1.00 0.00 C ATOM 190 CD1 LEU A 13 8.398 8.907 -5.588 1.00 0.00 C ATOM 191 CD2 LEU A 13 9.755 6.792 -5.247 1.00 0.00 C ATOM 0 H LEU A 13 5.522 6.516 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 13 5.824 8.119 -5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.610 7.452 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.546 5.863 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 13 8.020 7.003 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.107 9.206 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.405 9.277 -5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.706 9.327 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.436 7.134 -6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.124 7.118 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.698 5.704 -5.267 1.00 0.00 H new ATOM 202 N MET A 14 5.449 4.858 -5.407 1.00 0.00 N ATOM 203 CA MET A 14 4.966 3.804 -6.281 1.00 0.00 C ATOM 204 C MET A 14 3.521 4.069 -6.712 1.00 0.00 C ATOM 205 O MET A 14 3.192 3.962 -7.892 1.00 0.00 O ATOM 206 CB MET A 14 5.042 2.461 -5.553 1.00 0.00 C ATOM 207 CG MET A 14 6.490 2.114 -5.197 1.00 0.00 C ATOM 208 SD MET A 14 6.532 0.656 -4.167 1.00 0.00 S ATOM 209 CE MET A 14 8.019 -0.116 -4.783 1.00 0.00 C ATOM 0 H MET A 14 5.865 4.531 -4.535 1.00 0.00 H new ATOM 0 HA MET A 14 5.594 3.781 -7.172 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.440 2.500 -4.645 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.620 1.677 -6.182 1.00 0.00 H new ATOM 0 HG2 MET A 14 7.066 1.944 -6.106 1.00 0.00 H new ATOM 0 HG3 MET A 14 6.956 2.951 -4.677 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.284 -0.958 -4.143 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.850 -0.472 -5.799 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.832 0.610 -4.783 1.00 0.00 H new ATOM 217 N ASP A 15 2.698 4.410 -5.730 1.00 0.00 N ATOM 218 CA ASP A 15 1.297 4.691 -5.992 1.00 0.00 C ATOM 219 C ASP A 15 1.175 5.473 -7.301 1.00 0.00 C ATOM 220 O ASP A 15 1.357 6.690 -7.321 1.00 0.00 O ATOM 221 CB ASP A 15 0.687 5.539 -4.875 1.00 0.00 C ATOM 222 CG ASP A 15 -0.709 6.091 -5.171 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.381 5.497 -6.041 1.00 0.00 O ATOM 224 OD2 ASP A 15 -1.072 7.095 -4.521 1.00 0.00 O ATOM 0 H ASP A 15 2.975 4.498 -4.752 1.00 0.00 H new ATOM 0 HA ASP A 15 0.767 3.740 -6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.638 4.937 -3.968 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.355 6.375 -4.668 1.00 0.00 H new ATOM 228 N VAL A 16 0.865 4.745 -8.363 1.00 0.00 N ATOM 229 CA VAL A 16 0.716 5.355 -9.673 1.00 0.00 C ATOM 230 C VAL A 16 -0.745 5.251 -10.116 1.00 0.00 C ATOM 231 O VAL A 16 -1.411 6.266 -10.314 1.00 0.00 O ATOM 232 CB VAL A 16 1.688 4.712 -10.664 1.00 0.00 C ATOM 233 CG1 VAL A 16 1.258 4.981 -12.108 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.119 5.195 -10.420 1.00 0.00 C ATOM 0 H VAL A 16 0.713 3.737 -8.343 1.00 0.00 H new ATOM 0 HA VAL A 16 0.969 6.414 -9.632 1.00 0.00 H new ATOM 0 HB VAL A 16 1.666 3.634 -10.503 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.966 4.513 -12.792 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.264 4.566 -12.275 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.237 6.056 -12.287 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.790 4.723 -11.138 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.163 6.277 -10.540 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.425 4.929 -9.408 1.00 0.00 H new ATOM 244 N ASP A 17 -1.200 4.015 -10.258 1.00 0.00 N ATOM 245 CA ASP A 17 -2.569 3.765 -10.675 1.00 0.00 C ATOM 246 C ASP A 17 -3.519 4.613 -9.826 1.00 0.00 C ATOM 247 O ASP A 17 -4.162 5.531 -10.336 1.00 0.00 O ATOM 248 CB ASP A 17 -2.946 2.295 -10.479 1.00 0.00 C ATOM 249 CG ASP A 17 -4.424 2.041 -10.175 1.00 0.00 C ATOM 250 OD1 ASP A 17 -5.247 2.858 -10.641 1.00 0.00 O ATOM 251 OD2 ASP A 17 -4.696 1.035 -9.484 1.00 0.00 O ATOM 0 H ASP A 17 -0.645 3.176 -10.092 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.651 4.020 -11.731 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.676 1.743 -11.379 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.348 1.888 -9.664 1.00 0.00 H new ATOM 255 N GLY A 18 -3.576 4.277 -8.545 1.00 0.00 N ATOM 256 CA GLY A 18 -4.436 4.997 -7.621 1.00 0.00 C ATOM 257 C GLY A 18 -4.098 6.489 -7.607 1.00 0.00 C ATOM 258 O GLY A 18 -4.971 7.325 -7.373 1.00 0.00 O ATOM 0 H GLY A 18 -3.041 3.516 -8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.479 4.859 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.323 4.586 -6.618 1.00 0.00 H new ATOM 262 N ASP A 19 -2.830 6.779 -7.860 1.00 0.00 N ATOM 263 CA ASP A 19 -2.368 8.156 -7.879 1.00 0.00 C ATOM 264 C ASP A 19 -2.879 8.879 -6.631 1.00 0.00 C ATOM 265 O ASP A 19 -3.055 10.096 -6.643 1.00 0.00 O ATOM 266 CB ASP A 19 -2.898 8.899 -9.107 1.00 0.00 C ATOM 267 CG ASP A 19 -3.772 8.060 -10.043 1.00 0.00 C ATOM 268 OD1 ASP A 19 -4.961 7.881 -9.700 1.00 0.00 O ATOM 269 OD2 ASP A 19 -3.230 7.618 -11.079 1.00 0.00 O ATOM 0 H ASP A 19 -2.109 6.084 -8.053 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.278 8.145 -7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.475 9.761 -8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.050 9.284 -9.674 1.00 0.00 H new ATOM 273 N GLY A 20 -3.103 8.099 -5.584 1.00 0.00 N ATOM 274 CA GLY A 20 -3.591 8.649 -4.331 1.00 0.00 C ATOM 275 C GLY A 20 -3.714 7.559 -3.264 1.00 0.00 C ATOM 276 O GLY A 20 -2.993 7.577 -2.268 1.00 0.00 O ATOM 0 H GLY A 20 -2.955 7.090 -5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.913 9.428 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.562 9.119 -4.490 1.00 0.00 H new ATOM 280 N LYS A 21 -4.634 6.637 -3.509 1.00 0.00 N ATOM 281 CA LYS A 21 -4.861 5.542 -2.583 1.00 0.00 C ATOM 282 C LYS A 21 -4.109 4.302 -3.071 1.00 0.00 C ATOM 283 O LYS A 21 -3.849 4.159 -4.265 1.00 0.00 O ATOM 284 CB LYS A 21 -6.359 5.313 -2.380 1.00 0.00 C ATOM 285 CG LYS A 21 -7.093 5.265 -3.722 1.00 0.00 C ATOM 286 CD LYS A 21 -7.854 6.567 -3.978 1.00 0.00 C ATOM 287 CE LYS A 21 -8.738 6.450 -5.221 1.00 0.00 C ATOM 288 NZ LYS A 21 -9.896 7.367 -5.122 1.00 0.00 N ATOM 0 H LYS A 21 -5.231 6.627 -4.336 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.464 5.788 -1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.518 4.379 -1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.772 6.111 -1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.377 5.094 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.788 4.426 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.469 6.809 -3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.147 7.387 -4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.156 6.685 -6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.088 5.423 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.486 7.275 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.460 7.125 -4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.557 8.347 -5.040 1.00 0.00 H new ATOM 298 N LEU A 22 -3.781 3.436 -2.123 1.00 0.00 N ATOM 299 CA LEU A 22 -3.065 2.213 -2.443 1.00 0.00 C ATOM 300 C LEU A 22 -4.066 1.065 -2.594 1.00 0.00 C ATOM 301 O LEU A 22 -4.406 0.401 -1.617 1.00 0.00 O ATOM 302 CB LEU A 22 -1.974 1.944 -1.404 1.00 0.00 C ATOM 303 CG LEU A 22 -0.739 1.195 -1.907 1.00 0.00 C ATOM 304 CD1 LEU A 22 -0.129 1.897 -3.122 1.00 0.00 C ATOM 305 CD2 LEU A 22 0.284 1.006 -0.784 1.00 0.00 C ATOM 0 H LEU A 22 -3.998 3.557 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.548 2.313 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.651 2.899 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.412 1.373 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.051 0.202 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.748 1.344 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.864 1.938 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.165 2.910 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.152 0.471 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.596 1.980 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.166 0.432 0.026 1.00 0.00 H new ATOM 316 N THR A 23 -4.509 0.868 -3.827 1.00 0.00 N ATOM 317 CA THR A 23 -5.464 -0.187 -4.120 1.00 0.00 C ATOM 318 C THR A 23 -4.735 -1.465 -4.540 1.00 0.00 C ATOM 319 O THR A 23 -3.570 -1.418 -4.934 1.00 0.00 O ATOM 320 CB THR A 23 -6.436 0.335 -5.179 1.00 0.00 C ATOM 321 OG1 THR A 23 -5.792 0.040 -6.416 1.00 0.00 O ATOM 322 CG2 THR A 23 -6.547 1.861 -5.171 1.00 0.00 C ATOM 0 H THR A 23 -4.224 1.421 -4.635 1.00 0.00 H new ATOM 0 HA THR A 23 -6.040 -0.456 -3.235 1.00 0.00 H new ATOM 0 HB THR A 23 -7.421 -0.101 -5.014 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.355 0.344 -7.158 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.249 2.179 -5.942 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.902 2.195 -4.196 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.568 2.298 -5.370 1.00 0.00 H new ATOM 330 N LYS A 24 -5.450 -2.575 -4.442 1.00 0.00 N ATOM 331 CA LYS A 24 -4.886 -3.863 -4.809 1.00 0.00 C ATOM 332 C LYS A 24 -4.309 -3.780 -6.223 1.00 0.00 C ATOM 333 O LYS A 24 -3.097 -3.883 -6.409 1.00 0.00 O ATOM 334 CB LYS A 24 -5.925 -4.973 -4.633 1.00 0.00 C ATOM 335 CG LYS A 24 -5.262 -6.282 -4.198 1.00 0.00 C ATOM 336 CD LYS A 24 -6.156 -7.481 -4.518 1.00 0.00 C ATOM 337 CE LYS A 24 -6.080 -7.843 -6.002 1.00 0.00 C ATOM 338 NZ LYS A 24 -4.938 -8.751 -6.256 1.00 0.00 N ATOM 0 H LYS A 24 -6.415 -2.610 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.062 -4.120 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.663 -4.671 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.461 -5.126 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.303 -6.394 -4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.057 -6.252 -3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.851 -8.337 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.187 -7.252 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.009 -8.321 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.972 -6.937 -6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.093 -9.263 -7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.061 -8.196 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.856 -9.433 -5.475 1.00 0.00 H new ATOM 348 N GLU A 25 -5.203 -3.592 -7.183 1.00 0.00 N ATOM 349 CA GLU A 25 -4.797 -3.493 -8.574 1.00 0.00 C ATOM 350 C GLU A 25 -3.516 -2.667 -8.696 1.00 0.00 C ATOM 351 O GLU A 25 -2.577 -3.068 -9.382 1.00 0.00 O ATOM 352 CB GLU A 25 -5.917 -2.899 -9.431 1.00 0.00 C ATOM 353 CG GLU A 25 -6.337 -3.870 -10.535 1.00 0.00 C ATOM 354 CD GLU A 25 -7.604 -3.382 -11.242 1.00 0.00 C ATOM 355 OE1 GLU A 25 -8.548 -3.003 -10.516 1.00 0.00 O ATOM 356 OE2 GLU A 25 -7.599 -3.399 -12.492 1.00 0.00 O ATOM 0 H GLU A 25 -6.207 -3.506 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.594 -4.498 -8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.776 -2.665 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.582 -1.961 -9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.529 -3.974 -11.259 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.512 -4.858 -10.108 1.00 0.00 H new ATOM 361 N GLU A 26 -3.517 -1.528 -8.019 1.00 0.00 N ATOM 362 CA GLU A 26 -2.366 -0.641 -8.042 1.00 0.00 C ATOM 363 C GLU A 26 -1.136 -1.354 -7.477 1.00 0.00 C ATOM 364 O GLU A 26 -0.042 -1.243 -8.030 1.00 0.00 O ATOM 365 CB GLU A 26 -2.653 0.650 -7.274 1.00 0.00 C ATOM 366 CG GLU A 26 -1.356 1.292 -6.776 1.00 0.00 C ATOM 367 CD GLU A 26 -1.531 2.798 -6.578 1.00 0.00 C ATOM 368 OE1 GLU A 26 -2.086 3.171 -5.522 1.00 0.00 O ATOM 369 OE2 GLU A 26 -1.106 3.544 -7.486 1.00 0.00 O ATOM 0 H GLU A 26 -4.297 -1.199 -7.451 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.161 -0.370 -9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.185 1.350 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.306 0.436 -6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.055 0.830 -5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.556 1.106 -7.492 1.00 0.00 H new ATOM 374 N VAL A 27 -1.356 -2.069 -6.384 1.00 0.00 N ATOM 375 CA VAL A 27 -0.278 -2.798 -5.738 1.00 0.00 C ATOM 376 C VAL A 27 0.136 -3.976 -6.622 1.00 0.00 C ATOM 377 O VAL A 27 1.214 -3.964 -7.215 1.00 0.00 O ATOM 378 CB VAL A 27 -0.705 -3.227 -4.333 1.00 0.00 C ATOM 379 CG1 VAL A 27 0.312 -4.194 -3.721 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.917 -2.011 -3.429 1.00 0.00 C ATOM 0 H VAL A 27 -2.265 -2.159 -5.929 1.00 0.00 H new ATOM 0 HA VAL A 27 0.596 -2.159 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.657 -3.752 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.016 -4.483 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.392 -5.082 -4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.285 -3.706 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.220 -2.344 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.013 -1.447 -3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.695 -1.375 -3.851 1.00 0.00 H new ATOM 390 N THR A 28 -0.743 -4.966 -6.685 1.00 0.00 N ATOM 391 CA THR A 28 -0.481 -6.149 -7.487 1.00 0.00 C ATOM 392 C THR A 28 0.274 -5.772 -8.763 1.00 0.00 C ATOM 393 O THR A 28 1.182 -6.486 -9.185 1.00 0.00 O ATOM 394 CB THR A 28 -1.819 -6.842 -7.756 1.00 0.00 C ATOM 395 OG1 THR A 28 -2.309 -7.166 -6.457 1.00 0.00 O ATOM 396 CG2 THR A 28 -1.648 -8.200 -8.438 1.00 0.00 C ATOM 0 H THR A 28 -1.637 -4.973 -6.194 1.00 0.00 H new ATOM 0 HA THR A 28 0.166 -6.850 -6.959 1.00 0.00 H new ATOM 0 HB THR A 28 -2.442 -6.199 -8.378 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.868 -7.979 -6.134 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.627 -8.649 -8.606 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.142 -8.066 -9.394 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.053 -8.855 -7.801 1.00 0.00 H new ATOM 404 N SER A 29 -0.130 -4.651 -9.342 1.00 0.00 N ATOM 405 CA SER A 29 0.498 -4.171 -10.561 1.00 0.00 C ATOM 406 C SER A 29 1.953 -3.787 -10.284 1.00 0.00 C ATOM 407 O SER A 29 2.875 -4.463 -10.738 1.00 0.00 O ATOM 408 CB SER A 29 -0.265 -2.978 -11.141 1.00 0.00 C ATOM 409 OG SER A 29 0.338 -2.488 -12.335 1.00 0.00 O ATOM 0 H SER A 29 -0.884 -4.062 -8.990 1.00 0.00 H new ATOM 0 HA SER A 29 0.475 -4.975 -11.297 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.294 -3.272 -11.349 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.305 -2.179 -10.401 1.00 0.00 H new ATOM 0 HG SER A 29 -0.179 -1.728 -12.675 1.00 0.00 H new ATOM 414 N PHE A 30 2.114 -2.702 -9.541 1.00 0.00 N ATOM 415 CA PHE A 30 3.441 -2.220 -9.198 1.00 0.00 C ATOM 416 C PHE A 30 4.254 -3.305 -8.491 1.00 0.00 C ATOM 417 O PHE A 30 5.465 -3.402 -8.680 1.00 0.00 O ATOM 418 CB PHE A 30 3.255 -1.037 -8.245 1.00 0.00 C ATOM 419 CG PHE A 30 4.375 0.003 -8.318 1.00 0.00 C ATOM 420 CD1 PHE A 30 5.637 -0.330 -7.937 1.00 0.00 C ATOM 421 CD2 PHE A 30 4.108 1.260 -8.764 1.00 0.00 C ATOM 422 CE1 PHE A 30 6.677 0.635 -8.004 1.00 0.00 C ATOM 423 CE2 PHE A 30 5.148 2.225 -8.831 1.00 0.00 C ATOM 424 CZ PHE A 30 6.410 1.892 -8.450 1.00 0.00 C ATOM 0 H PHE A 30 1.347 -2.143 -9.167 1.00 0.00 H new ATOM 0 HA PHE A 30 3.977 -1.934 -10.103 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.306 -0.550 -8.468 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.188 -1.413 -7.224 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.849 -1.328 -7.583 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.106 1.524 -9.067 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.679 0.371 -7.701 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.936 3.223 -9.185 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.201 2.626 -8.502 1.00 0.00 H new ATOM 433 N PHE A 31 3.554 -4.097 -7.691 1.00 0.00 N ATOM 434 CA PHE A 31 4.195 -5.173 -6.955 1.00 0.00 C ATOM 435 C PHE A 31 4.415 -6.394 -7.849 1.00 0.00 C ATOM 436 O PHE A 31 5.221 -7.267 -7.528 1.00 0.00 O ATOM 437 CB PHE A 31 3.253 -5.556 -5.812 1.00 0.00 C ATOM 438 CG PHE A 31 3.296 -4.596 -4.621 1.00 0.00 C ATOM 439 CD1 PHE A 31 2.850 -3.319 -4.761 1.00 0.00 C ATOM 440 CD2 PHE A 31 3.781 -5.020 -3.423 1.00 0.00 C ATOM 441 CE1 PHE A 31 2.890 -2.428 -3.657 1.00 0.00 C ATOM 442 CE2 PHE A 31 3.821 -4.128 -2.319 1.00 0.00 C ATOM 443 CZ PHE A 31 3.375 -2.851 -2.458 1.00 0.00 C ATOM 0 H PHE A 31 2.549 -4.014 -7.537 1.00 0.00 H new ATOM 0 HA PHE A 31 5.168 -4.845 -6.588 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.233 -5.599 -6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.506 -6.558 -5.467 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.465 -2.983 -5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.135 -6.034 -3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.535 -1.414 -3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.206 -4.464 -1.368 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.406 -2.173 -1.618 1.00 0.00 H new ATOM 452 N LYS A 32 3.686 -6.417 -8.955 1.00 0.00 N ATOM 453 CA LYS A 32 3.791 -7.518 -9.899 1.00 0.00 C ATOM 454 C LYS A 32 5.255 -7.948 -10.011 1.00 0.00 C ATOM 455 O LYS A 32 5.544 -9.120 -10.252 1.00 0.00 O ATOM 456 CB LYS A 32 3.158 -7.137 -11.238 1.00 0.00 C ATOM 457 CG LYS A 32 2.806 -8.383 -12.052 1.00 0.00 C ATOM 458 CD LYS A 32 2.508 -8.022 -13.509 1.00 0.00 C ATOM 459 CE LYS A 32 1.008 -8.098 -13.798 1.00 0.00 C ATOM 460 NZ LYS A 32 0.590 -6.977 -14.669 1.00 0.00 N ATOM 0 H LYS A 32 3.020 -5.691 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 32 3.230 -8.382 -9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.259 -6.546 -11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.847 -6.511 -11.805 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.632 -9.093 -12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.940 -8.876 -11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.872 -7.016 -13.720 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.044 -8.701 -14.172 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.772 -9.047 -14.279 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.449 -8.067 -12.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.431 -7.044 -14.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.797 -6.074 -14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.110 -7.024 -15.569 1.00 0.00 H new ATOM 470 N LYS A 33 6.140 -6.980 -9.831 1.00 0.00 N ATOM 471 CA LYS A 33 7.567 -7.244 -9.909 1.00 0.00 C ATOM 472 C LYS A 33 8.078 -7.670 -8.531 1.00 0.00 C ATOM 473 O LYS A 33 8.799 -8.659 -8.411 1.00 0.00 O ATOM 474 CB LYS A 33 8.304 -6.038 -10.494 1.00 0.00 C ATOM 475 CG LYS A 33 9.750 -6.396 -10.842 1.00 0.00 C ATOM 476 CD LYS A 33 10.688 -6.090 -9.672 1.00 0.00 C ATOM 477 CE LYS A 33 12.088 -5.726 -10.172 1.00 0.00 C ATOM 478 NZ LYS A 33 13.121 -6.398 -9.355 1.00 0.00 N ATOM 0 H LYS A 33 5.897 -6.010 -9.631 1.00 0.00 H new ATOM 0 HA LYS A 33 7.765 -8.070 -10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.787 -5.689 -11.388 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.291 -5.217 -9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.815 -7.454 -11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.065 -5.835 -11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.283 -5.267 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.747 -6.956 -9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.195 -6.019 -11.217 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.227 -4.646 -10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.065 -6.140 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.028 -6.099 -8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.998 -7.429 -9.418 1.00 0.00 H new ATOM 488 N HIS A 34 7.684 -6.901 -7.526 1.00 0.00 N ATOM 489 CA HIS A 34 8.094 -7.185 -6.161 1.00 0.00 C ATOM 490 C HIS A 34 7.536 -8.544 -5.731 1.00 0.00 C ATOM 491 O HIS A 34 7.674 -9.532 -6.449 1.00 0.00 O ATOM 492 CB HIS A 34 7.682 -6.050 -5.222 1.00 0.00 C ATOM 493 CG HIS A 34 8.196 -4.692 -5.638 1.00 0.00 C ATOM 494 ND1 HIS A 34 7.884 -3.912 -6.712 1.00 0.00 N flip ATOM 495 CD2 HIS A 34 9.145 -3.995 -4.911 1.00 0.00 C flip ATOM 496 CE1 HIS A 34 8.603 -2.797 -6.644 1.00 0.00 C flip ATOM 497 NE2 HIS A 34 9.385 -2.848 -5.528 1.00 0.00 N flip ATOM 0 H HIS A 34 7.085 -6.082 -7.630 1.00 0.00 H new ATOM 0 HA HIS A 34 9.181 -7.244 -6.108 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.594 -6.014 -5.167 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.045 -6.273 -4.218 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.212 -4.145 -7.444 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.611 -4.330 -3.996 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.573 -1.985 -7.355 1.00 0.00 H new ATOM 504 N GLY A 35 6.916 -8.548 -4.560 1.00 0.00 N ATOM 505 CA GLY A 35 6.336 -9.768 -4.024 1.00 0.00 C ATOM 506 C GLY A 35 4.808 -9.705 -4.049 1.00 0.00 C ATOM 507 O GLY A 35 4.151 -10.077 -3.077 1.00 0.00 O ATOM 0 H GLY A 35 6.803 -7.726 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.678 -10.624 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.681 -9.920 -3.001 1.00 0.00 H new ATOM 511 N ILE A 36 4.284 -9.232 -5.171 1.00 0.00 N ATOM 512 CA ILE A 36 2.845 -9.116 -5.335 1.00 0.00 C ATOM 513 C ILE A 36 2.161 -10.309 -4.666 1.00 0.00 C ATOM 514 O ILE A 36 1.048 -10.188 -4.159 1.00 0.00 O ATOM 515 CB ILE A 36 2.486 -8.950 -6.813 1.00 0.00 C ATOM 516 CG1 ILE A 36 0.985 -9.147 -7.038 1.00 0.00 C ATOM 517 CG2 ILE A 36 3.324 -9.883 -7.689 1.00 0.00 C ATOM 518 CD1 ILE A 36 0.631 -10.634 -7.104 1.00 0.00 C ATOM 0 H ILE A 36 4.831 -8.925 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 36 2.477 -8.218 -4.838 1.00 0.00 H new ATOM 0 HB ILE A 36 2.725 -7.929 -7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.427 -8.672 -6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.685 -8.657 -7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.049 -9.745 -8.735 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.381 -9.652 -7.558 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.140 -10.917 -7.399 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.441 -10.746 -7.264 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.172 -11.101 -7.927 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.910 -11.116 -6.167 1.00 0.00 H new ATOM 529 N GLU A 37 2.858 -11.437 -4.686 1.00 0.00 N ATOM 530 CA GLU A 37 2.332 -12.652 -4.088 1.00 0.00 C ATOM 531 C GLU A 37 2.202 -12.485 -2.573 1.00 0.00 C ATOM 532 O GLU A 37 1.093 -12.397 -2.047 1.00 0.00 O ATOM 533 CB GLU A 37 3.209 -13.857 -4.433 1.00 0.00 C ATOM 534 CG GLU A 37 2.996 -14.293 -5.885 1.00 0.00 C ATOM 535 CD GLU A 37 3.793 -15.561 -6.199 1.00 0.00 C ATOM 536 OE1 GLU A 37 4.866 -15.724 -5.580 1.00 0.00 O ATOM 537 OE2 GLU A 37 3.310 -16.337 -7.052 1.00 0.00 O ATOM 0 H GLU A 37 3.782 -11.534 -5.107 1.00 0.00 H new ATOM 0 HA GLU A 37 1.340 -12.836 -4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.258 -13.605 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.976 -14.685 -3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.936 -14.472 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.301 -13.491 -6.558 1.00 0.00 H new ATOM 542 N LYS A 38 3.351 -12.445 -1.913 1.00 0.00 N ATOM 543 CA LYS A 38 3.379 -12.289 -0.469 1.00 0.00 C ATOM 544 C LYS A 38 2.662 -10.992 -0.086 1.00 0.00 C ATOM 545 O LYS A 38 2.054 -10.908 0.980 1.00 0.00 O ATOM 546 CB LYS A 38 4.816 -12.375 0.050 1.00 0.00 C ATOM 547 CG LYS A 38 4.913 -11.850 1.485 1.00 0.00 C ATOM 548 CD LYS A 38 6.005 -12.584 2.264 1.00 0.00 C ATOM 549 CE LYS A 38 5.519 -12.964 3.665 1.00 0.00 C ATOM 550 NZ LYS A 38 6.199 -12.142 4.691 1.00 0.00 N ATOM 0 H LYS A 38 4.269 -12.518 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 38 2.841 -13.105 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.158 -13.409 0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.476 -11.798 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.127 -10.781 1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.954 -11.977 1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.302 -13.482 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.889 -11.951 2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.440 -12.822 3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.714 -14.020 3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.857 -12.413 5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.226 -12.298 4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.992 -11.137 4.523 1.00 0.00 H new ATOM 560 N VAL A 39 2.759 -10.016 -0.976 1.00 0.00 N ATOM 561 CA VAL A 39 2.127 -8.728 -0.744 1.00 0.00 C ATOM 562 C VAL A 39 0.613 -8.868 -0.916 1.00 0.00 C ATOM 563 O VAL A 39 -0.158 -8.251 -0.184 1.00 0.00 O ATOM 564 CB VAL A 39 2.738 -7.672 -1.667 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.970 -6.351 -1.574 1.00 0.00 C ATOM 566 CG2 VAL A 39 4.222 -7.466 -1.358 1.00 0.00 C ATOM 0 H VAL A 39 3.265 -10.091 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 39 2.308 -8.393 0.277 1.00 0.00 H new ATOM 0 HB VAL A 39 2.656 -8.035 -2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.425 -5.618 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.932 -6.512 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.005 -5.981 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.632 -6.710 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.336 -7.136 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.757 -8.405 -1.500 1.00 0.00 H new ATOM 576 N ALA A 40 0.234 -9.685 -1.887 1.00 0.00 N ATOM 577 CA ALA A 40 -1.174 -9.916 -2.165 1.00 0.00 C ATOM 578 C ALA A 40 -1.853 -10.469 -0.910 1.00 0.00 C ATOM 579 O ALA A 40 -2.912 -9.990 -0.511 1.00 0.00 O ATOM 580 CB ALA A 40 -1.312 -10.854 -3.364 1.00 0.00 C ATOM 0 H ALA A 40 0.877 -10.196 -2.492 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.672 -8.982 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.368 -11.026 -3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.840 -10.402 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.826 -11.804 -3.141 1.00 0.00 H new ATOM 586 N GLU A 41 -1.214 -11.472 -0.324 1.00 0.00 N ATOM 587 CA GLU A 41 -1.742 -12.095 0.877 1.00 0.00 C ATOM 588 C GLU A 41 -1.768 -11.091 2.030 1.00 0.00 C ATOM 589 O GLU A 41 -2.785 -10.941 2.705 1.00 0.00 O ATOM 590 CB GLU A 41 -0.933 -13.339 1.250 1.00 0.00 C ATOM 591 CG GLU A 41 -1.747 -14.275 2.146 1.00 0.00 C ATOM 592 CD GLU A 41 -1.035 -15.617 2.328 1.00 0.00 C ATOM 593 OE1 GLU A 41 -0.963 -16.362 1.327 1.00 0.00 O ATOM 594 OE2 GLU A 41 -0.578 -15.867 3.464 1.00 0.00 O ATOM 0 H GLU A 41 -0.336 -11.868 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.765 -12.414 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.633 -13.867 0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.019 -13.042 1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.904 -13.808 3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.732 -14.438 1.708 1.00 0.00 H new ATOM 599 N GLN A 42 -0.637 -10.429 2.221 1.00 0.00 N ATOM 600 CA GLN A 42 -0.516 -9.442 3.281 1.00 0.00 C ATOM 601 C GLN A 42 -1.511 -8.301 3.061 1.00 0.00 C ATOM 602 O GLN A 42 -2.211 -7.895 3.987 1.00 0.00 O ATOM 603 CB GLN A 42 0.915 -8.911 3.376 1.00 0.00 C ATOM 604 CG GLN A 42 1.729 -9.705 4.400 1.00 0.00 C ATOM 605 CD GLN A 42 1.689 -9.031 5.773 1.00 0.00 C ATOM 606 OE1 GLN A 42 1.603 -7.820 5.896 1.00 0.00 O ATOM 607 NE2 GLN A 42 1.755 -9.880 6.795 1.00 0.00 N ATOM 0 H GLN A 42 0.205 -10.557 1.659 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.752 -9.926 4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.395 -8.972 2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.898 -7.858 3.658 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.335 -10.718 4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.762 -9.790 4.062 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.826 -10.883 6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.735 -9.528 7.752 1.00 0.00 H new ATOM 614 N VAL A 43 -1.541 -7.816 1.828 1.00 0.00 N ATOM 615 CA VAL A 43 -2.440 -6.731 1.473 1.00 0.00 C ATOM 616 C VAL A 43 -3.887 -7.209 1.599 1.00 0.00 C ATOM 617 O VAL A 43 -4.750 -6.473 2.076 1.00 0.00 O ATOM 618 CB VAL A 43 -2.102 -6.207 0.076 1.00 0.00 C ATOM 619 CG1 VAL A 43 -3.251 -5.368 -0.487 1.00 0.00 C ATOM 620 CG2 VAL A 43 -0.796 -5.410 0.089 1.00 0.00 C ATOM 0 H VAL A 43 -0.957 -8.154 1.063 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.315 -5.893 2.159 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.962 -7.067 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.985 -5.008 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.151 -5.980 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.437 -4.518 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.580 -5.049 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.895 -4.561 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.018 -6.051 0.427 1.00 0.00 H new ATOM 630 N MET A 44 -4.110 -8.440 1.163 1.00 0.00 N ATOM 631 CA MET A 44 -5.438 -9.026 1.220 1.00 0.00 C ATOM 632 C MET A 44 -5.992 -8.988 2.645 1.00 0.00 C ATOM 633 O MET A 44 -7.151 -8.632 2.856 1.00 0.00 O ATOM 634 CB MET A 44 -5.378 -10.476 0.734 1.00 0.00 C ATOM 635 CG MET A 44 -6.753 -11.142 0.827 1.00 0.00 C ATOM 636 SD MET A 44 -6.574 -12.838 1.350 1.00 0.00 S ATOM 637 CE MET A 44 -6.848 -13.673 -0.204 1.00 0.00 C ATOM 0 H MET A 44 -3.392 -9.048 0.768 1.00 0.00 H new ATOM 0 HA MET A 44 -6.099 -8.445 0.577 1.00 0.00 H new ATOM 0 HB2 MET A 44 -5.025 -10.504 -0.297 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.658 -11.034 1.332 1.00 0.00 H new ATOM 0 HG2 MET A 44 -7.382 -10.600 1.533 1.00 0.00 H new ATOM 0 HG3 MET A 44 -7.252 -11.102 -0.141 1.00 0.00 H new ATOM 0 HE1 MET A 44 -6.771 -14.750 -0.057 1.00 0.00 H new ATOM 0 HE2 MET A 44 -7.842 -13.428 -0.578 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.098 -13.351 -0.927 1.00 0.00 H new ATOM 645 N LYS A 45 -5.140 -9.362 3.588 1.00 0.00 N ATOM 646 CA LYS A 45 -5.529 -9.375 4.988 1.00 0.00 C ATOM 647 C LYS A 45 -5.445 -7.954 5.551 1.00 0.00 C ATOM 648 O LYS A 45 -6.059 -7.649 6.571 1.00 0.00 O ATOM 649 CB LYS A 45 -4.696 -10.395 5.767 1.00 0.00 C ATOM 650 CG LYS A 45 -4.587 -10.003 7.242 1.00 0.00 C ATOM 651 CD LYS A 45 -4.293 -11.225 8.114 1.00 0.00 C ATOM 652 CE LYS A 45 -4.382 -10.872 9.600 1.00 0.00 C ATOM 653 NZ LYS A 45 -5.094 -11.936 10.343 1.00 0.00 N ATOM 0 H LYS A 45 -4.181 -9.659 3.410 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.565 -9.698 5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.151 -11.382 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.699 -10.465 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.796 -9.263 7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.516 -9.535 7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.001 -12.020 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.298 -11.608 7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.380 -10.742 10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.903 -9.923 9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.146 -11.681 11.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.056 -12.041 9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.581 -12.835 10.239 1.00 0.00 H new ATOM 663 N ALA A 46 -4.677 -7.124 4.860 1.00 0.00 N ATOM 664 CA ALA A 46 -4.504 -5.743 5.277 1.00 0.00 C ATOM 665 C ALA A 46 -5.819 -4.986 5.082 1.00 0.00 C ATOM 666 O ALA A 46 -6.313 -4.345 6.008 1.00 0.00 O ATOM 667 CB ALA A 46 -3.348 -5.114 4.496 1.00 0.00 C ATOM 0 H ALA A 46 -4.168 -7.381 4.014 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.248 -5.692 6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.219 -4.078 4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.431 -5.670 4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.570 -5.146 3.429 1.00 0.00 H new ATOM 673 N ASP A 47 -6.349 -5.088 3.872 1.00 0.00 N ATOM 674 CA ASP A 47 -7.597 -4.421 3.544 1.00 0.00 C ATOM 675 C ASP A 47 -8.560 -4.539 4.727 1.00 0.00 C ATOM 676 O ASP A 47 -8.853 -3.549 5.396 1.00 0.00 O ATOM 677 CB ASP A 47 -8.262 -5.065 2.327 1.00 0.00 C ATOM 678 CG ASP A 47 -8.730 -4.084 1.251 1.00 0.00 C ATOM 679 OD1 ASP A 47 -9.573 -3.227 1.592 1.00 0.00 O ATOM 680 OD2 ASP A 47 -8.234 -4.213 0.109 1.00 0.00 O ATOM 0 H ASP A 47 -5.937 -5.622 3.107 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.373 -3.377 3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.560 -5.767 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.120 -5.646 2.666 1.00 0.00 H new ATOM 684 N ALA A 48 -9.027 -5.760 4.949 1.00 0.00 N ATOM 685 CA ALA A 48 -9.951 -6.021 6.040 1.00 0.00 C ATOM 686 C ALA A 48 -11.327 -5.455 5.683 1.00 0.00 C ATOM 687 O ALA A 48 -12.312 -6.190 5.641 1.00 0.00 O ATOM 688 CB ALA A 48 -9.393 -5.426 7.334 1.00 0.00 C ATOM 0 H ALA A 48 -8.783 -6.579 4.392 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.067 -7.093 6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.086 -5.621 8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.429 -5.882 7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.267 -4.350 7.215 1.00 0.00 H new ATOM 694 N ASN A 49 -11.350 -4.154 5.435 1.00 0.00 N ATOM 695 CA ASN A 49 -12.589 -3.480 5.084 1.00 0.00 C ATOM 696 C ASN A 49 -13.419 -4.390 4.176 1.00 0.00 C ATOM 697 O ASN A 49 -14.592 -4.640 4.447 1.00 0.00 O ATOM 698 CB ASN A 49 -12.314 -2.180 4.326 1.00 0.00 C ATOM 699 CG ASN A 49 -13.528 -1.251 4.373 1.00 0.00 C ATOM 700 OD1 ASN A 49 -14.353 -1.309 5.270 1.00 0.00 O ATOM 701 ND2 ASN A 49 -13.592 -0.393 3.359 1.00 0.00 N ATOM 0 H ASN A 49 -10.530 -3.548 5.470 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.122 -3.253 6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.450 -1.677 4.760 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.064 -2.405 3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.365 0.269 3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.868 -0.397 2.641 1.00 0.00 H new ATOM 707 N GLY A 50 -12.777 -4.861 3.118 1.00 0.00 N ATOM 708 CA GLY A 50 -13.441 -5.738 2.168 1.00 0.00 C ATOM 709 C GLY A 50 -12.684 -5.781 0.839 1.00 0.00 C ATOM 710 O GLY A 50 -12.409 -6.858 0.312 1.00 0.00 O ATOM 0 H GLY A 50 -11.803 -4.652 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.511 -6.743 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.460 -5.391 1.999 1.00 0.00 H new ATOM 714 N ASP A 51 -12.368 -4.597 0.336 1.00 0.00 N ATOM 715 CA ASP A 51 -11.648 -4.486 -0.921 1.00 0.00 C ATOM 716 C ASP A 51 -11.464 -3.007 -1.270 1.00 0.00 C ATOM 717 O ASP A 51 -11.920 -2.551 -2.317 1.00 0.00 O ATOM 718 CB ASP A 51 -12.425 -5.147 -2.061 1.00 0.00 C ATOM 719 CG ASP A 51 -11.581 -5.545 -3.274 1.00 0.00 C ATOM 720 OD1 ASP A 51 -10.834 -4.668 -3.757 1.00 0.00 O ATOM 721 OD2 ASP A 51 -11.703 -6.718 -3.689 1.00 0.00 O ATOM 0 H ASP A 51 -12.597 -3.706 0.776 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.686 -4.985 -0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.921 -6.037 -1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.208 -4.464 -2.391 1.00 0.00 H new ATOM 725 N GLY A 52 -10.796 -2.299 -0.372 1.00 0.00 N ATOM 726 CA GLY A 52 -10.546 -0.882 -0.571 1.00 0.00 C ATOM 727 C GLY A 52 -9.084 -0.630 -0.944 1.00 0.00 C ATOM 728 O GLY A 52 -8.472 -1.432 -1.647 1.00 0.00 O ATOM 0 H GLY A 52 -10.420 -2.680 0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.197 -0.501 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.792 -0.334 0.339 1.00 0.00 H new ATOM 732 N TYR A 53 -8.566 0.488 -0.456 1.00 0.00 N ATOM 733 CA TYR A 53 -7.187 0.856 -0.729 1.00 0.00 C ATOM 734 C TYR A 53 -6.535 1.490 0.502 1.00 0.00 C ATOM 735 O TYR A 53 -7.223 1.863 1.451 1.00 0.00 O ATOM 736 CB TYR A 53 -7.242 1.892 -1.853 1.00 0.00 C ATOM 737 CG TYR A 53 -8.390 2.894 -1.720 1.00 0.00 C ATOM 738 CD1 TYR A 53 -8.488 3.687 -0.595 1.00 0.00 C ATOM 739 CD2 TYR A 53 -9.329 3.006 -2.726 1.00 0.00 C ATOM 740 CE1 TYR A 53 -9.569 4.631 -0.470 1.00 0.00 C ATOM 741 CE2 TYR A 53 -10.409 3.949 -2.601 1.00 0.00 C ATOM 742 CZ TYR A 53 -10.477 4.715 -1.479 1.00 0.00 C ATOM 743 OH TYR A 53 -11.497 5.605 -1.361 1.00 0.00 O ATOM 0 H TYR A 53 -9.077 1.151 0.127 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.601 -0.023 -0.999 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.298 2.437 -1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.335 1.373 -2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.754 3.600 0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.253 2.386 -3.607 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.656 5.258 0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.149 4.046 -3.381 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.067 5.556 -2.157 1.00 0.00 H new ATOM 752 N ILE A 54 -5.215 1.591 0.446 1.00 0.00 N ATOM 753 CA ILE A 54 -4.462 2.174 1.543 1.00 0.00 C ATOM 754 C ILE A 54 -4.118 3.626 1.206 1.00 0.00 C ATOM 755 O ILE A 54 -3.195 3.885 0.435 1.00 0.00 O ATOM 756 CB ILE A 54 -3.242 1.312 1.872 1.00 0.00 C ATOM 757 CG1 ILE A 54 -3.460 0.523 3.165 1.00 0.00 C ATOM 758 CG2 ILE A 54 -1.970 2.161 1.927 1.00 0.00 C ATOM 759 CD1 ILE A 54 -4.207 -0.784 2.891 1.00 0.00 C ATOM 0 H ILE A 54 -4.648 1.279 -0.342 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.064 2.193 2.451 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.111 0.586 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.498 0.306 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.026 1.128 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.117 1.524 2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.810 2.639 0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.076 2.925 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.349 -1.325 3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.179 -0.562 2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.627 -1.397 2.202 1.00 0.00 H new ATOM 770 N THR A 55 -4.876 4.534 1.800 1.00 0.00 N ATOM 771 CA THR A 55 -4.662 5.953 1.573 1.00 0.00 C ATOM 772 C THR A 55 -3.765 6.540 2.665 1.00 0.00 C ATOM 773 O THR A 55 -3.835 6.122 3.820 1.00 0.00 O ATOM 774 CB THR A 55 -6.032 6.629 1.482 1.00 0.00 C ATOM 775 OG1 THR A 55 -6.559 6.523 2.802 1.00 0.00 O ATOM 776 CG2 THR A 55 -7.020 5.840 0.622 1.00 0.00 C ATOM 0 H THR A 55 -5.640 4.315 2.439 1.00 0.00 H new ATOM 0 HA THR A 55 -4.134 6.128 0.636 1.00 0.00 H new ATOM 0 HB THR A 55 -5.915 7.632 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.537 6.474 2.761 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.975 6.364 0.591 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.626 5.744 -0.390 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.164 4.848 1.050 1.00 0.00 H new ATOM 784 N LEU A 56 -2.945 7.498 2.261 1.00 0.00 N ATOM 785 CA LEU A 56 -2.036 8.146 3.191 1.00 0.00 C ATOM 786 C LEU A 56 -2.759 8.391 4.518 1.00 0.00 C ATOM 787 O LEU A 56 -2.175 8.225 5.587 1.00 0.00 O ATOM 788 CB LEU A 56 -1.446 9.413 2.570 1.00 0.00 C ATOM 789 CG LEU A 56 -0.552 9.207 1.345 1.00 0.00 C ATOM 790 CD1 LEU A 56 -1.345 9.392 0.049 1.00 0.00 C ATOM 791 CD2 LEU A 56 0.675 10.118 1.402 1.00 0.00 C ATOM 0 H LEU A 56 -2.891 7.841 1.302 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.186 7.498 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.267 10.072 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.868 9.933 3.334 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.190 8.179 1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.686 9.240 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.158 8.667 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.756 10.401 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.293 9.951 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.354 11.159 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.254 9.893 2.298 1.00 0.00 H new ATOM 802 N GLU A 57 -4.020 8.782 4.404 1.00 0.00 N ATOM 803 CA GLU A 57 -4.829 9.052 5.581 1.00 0.00 C ATOM 804 C GLU A 57 -5.038 7.768 6.386 1.00 0.00 C ATOM 805 O GLU A 57 -4.884 7.764 7.606 1.00 0.00 O ATOM 806 CB GLU A 57 -6.169 9.681 5.192 1.00 0.00 C ATOM 807 CG GLU A 57 -6.940 8.776 4.230 1.00 0.00 C ATOM 808 CD GLU A 57 -8.284 9.401 3.848 1.00 0.00 C ATOM 809 OE1 GLU A 57 -8.253 10.385 3.076 1.00 0.00 O ATOM 810 OE2 GLU A 57 -9.311 8.882 4.334 1.00 0.00 O ATOM 0 H GLU A 57 -4.501 8.918 3.515 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.298 9.768 6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.765 9.858 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.998 10.651 4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.346 8.604 3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.106 7.804 4.694 1.00 0.00 H new ATOM 815 N GLU A 58 -5.386 6.709 5.670 1.00 0.00 N ATOM 816 CA GLU A 58 -5.618 5.421 6.304 1.00 0.00 C ATOM 817 C GLU A 58 -4.289 4.782 6.709 1.00 0.00 C ATOM 818 O GLU A 58 -4.196 4.147 7.759 1.00 0.00 O ATOM 819 CB GLU A 58 -6.415 4.493 5.384 1.00 0.00 C ATOM 820 CG GLU A 58 -6.620 3.124 6.032 1.00 0.00 C ATOM 821 CD GLU A 58 -8.057 2.636 5.842 1.00 0.00 C ATOM 822 OE1 GLU A 58 -8.375 2.236 4.701 1.00 0.00 O ATOM 823 OE2 GLU A 58 -8.806 2.674 6.842 1.00 0.00 O ATOM 0 H GLU A 58 -5.513 6.716 4.658 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.210 5.582 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.383 4.941 5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.890 4.376 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.927 2.404 5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.390 3.183 7.096 1.00 0.00 H new ATOM 828 N PHE A 59 -3.293 4.972 5.858 1.00 0.00 N ATOM 829 CA PHE A 59 -1.973 4.423 6.113 1.00 0.00 C ATOM 830 C PHE A 59 -1.378 5.002 7.399 1.00 0.00 C ATOM 831 O PHE A 59 -0.669 4.308 8.127 1.00 0.00 O ATOM 832 CB PHE A 59 -1.086 4.818 4.932 1.00 0.00 C ATOM 833 CG PHE A 59 -0.089 3.735 4.512 1.00 0.00 C ATOM 834 CD1 PHE A 59 -0.477 2.432 4.476 1.00 0.00 C ATOM 835 CD2 PHE A 59 1.184 4.076 4.175 1.00 0.00 C ATOM 836 CE1 PHE A 59 0.448 1.427 4.085 1.00 0.00 C ATOM 837 CE2 PHE A 59 2.108 3.071 3.786 1.00 0.00 C ATOM 838 CZ PHE A 59 1.721 1.768 3.749 1.00 0.00 C ATOM 0 H PHE A 59 -3.374 5.500 4.989 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.037 3.341 6.228 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.721 5.063 4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.536 5.723 5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.488 2.161 4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.492 5.111 4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.140 0.392 4.055 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.119 3.341 3.519 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.424 1.004 3.453 1.00 0.00 H new ATOM 847 N LEU A 60 -1.687 6.267 7.638 1.00 0.00 N ATOM 848 CA LEU A 60 -1.192 6.948 8.823 1.00 0.00 C ATOM 849 C LEU A 60 -2.036 6.538 10.032 1.00 0.00 C ATOM 850 O LEU A 60 -1.504 6.044 11.025 1.00 0.00 O ATOM 851 CB LEU A 60 -1.144 8.460 8.591 1.00 0.00 C ATOM 852 CG LEU A 60 -0.307 9.264 9.588 1.00 0.00 C ATOM 853 CD1 LEU A 60 0.786 10.060 8.871 1.00 0.00 C ATOM 854 CD2 LEU A 60 -1.197 10.162 10.452 1.00 0.00 C ATOM 0 H LEU A 60 -2.274 6.839 7.031 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.166 6.648 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.754 8.642 7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.164 8.843 8.611 1.00 0.00 H new ATOM 0 HG LEU A 60 0.192 8.564 10.258 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.366 10.622 9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.443 9.375 8.336 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.328 10.751 8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.578 10.723 11.152 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.742 10.857 9.813 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.905 9.547 11.007 1.00 0.00 H new ATOM 865 N GLU A 61 -3.336 6.757 9.906 1.00 0.00 N ATOM 866 CA GLU A 61 -4.258 6.416 10.976 1.00 0.00 C ATOM 867 C GLU A 61 -4.040 4.970 11.425 1.00 0.00 C ATOM 868 O GLU A 61 -4.316 4.624 12.573 1.00 0.00 O ATOM 869 CB GLU A 61 -5.709 6.643 10.544 1.00 0.00 C ATOM 870 CG GLU A 61 -6.497 7.377 11.630 1.00 0.00 C ATOM 871 CD GLU A 61 -7.910 7.714 11.149 1.00 0.00 C ATOM 872 OE1 GLU A 61 -8.605 6.768 10.723 1.00 0.00 O ATOM 873 OE2 GLU A 61 -8.262 8.912 11.220 1.00 0.00 O ATOM 0 H GLU A 61 -3.773 7.166 9.080 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.059 7.073 11.823 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.731 7.221 9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.183 5.685 10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.552 6.758 12.526 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.975 8.293 11.907 1.00 0.00 H new ATOM 878 N PHE A 62 -3.547 4.164 10.496 1.00 0.00 N ATOM 879 CA PHE A 62 -3.288 2.763 10.782 1.00 0.00 C ATOM 880 C PHE A 62 -2.371 2.612 11.998 1.00 0.00 C ATOM 881 O PHE A 62 -2.704 1.904 12.946 1.00 0.00 O ATOM 882 CB PHE A 62 -2.588 2.178 9.554 1.00 0.00 C ATOM 883 CG PHE A 62 -2.442 0.656 9.588 1.00 0.00 C ATOM 884 CD1 PHE A 62 -1.365 0.089 10.195 1.00 0.00 C ATOM 885 CD2 PHE A 62 -3.389 -0.131 9.009 1.00 0.00 C ATOM 886 CE1 PHE A 62 -1.231 -1.325 10.225 1.00 0.00 C ATOM 887 CE2 PHE A 62 -3.254 -1.545 9.040 1.00 0.00 C ATOM 888 CZ PHE A 62 -2.178 -2.112 9.648 1.00 0.00 C ATOM 0 H PHE A 62 -3.320 4.454 9.545 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.224 2.248 11.000 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.147 2.459 8.661 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.598 2.626 9.465 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.612 0.713 10.654 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.243 0.319 8.526 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.376 -1.776 10.707 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.006 -2.169 8.581 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.076 -3.187 9.673 1.00 0.00 H new ATOM 897 N SER A 63 -1.234 3.289 11.930 1.00 0.00 N ATOM 898 CA SER A 63 -0.268 3.239 13.013 1.00 0.00 C ATOM 899 C SER A 63 -0.735 4.119 14.173 1.00 0.00 C ATOM 900 O SER A 63 -0.396 3.862 15.327 1.00 0.00 O ATOM 901 CB SER A 63 1.118 3.680 12.536 1.00 0.00 C ATOM 902 OG SER A 63 1.957 4.066 13.620 1.00 0.00 O ATOM 0 H SER A 63 -0.961 3.875 11.141 1.00 0.00 H new ATOM 0 HA SER A 63 -0.193 2.207 13.356 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.588 2.865 11.986 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.014 4.515 11.843 1.00 0.00 H new ATOM 0 HG SER A 63 2.833 4.339 13.275 1.00 0.00 H new ATOM 907 N LEU A 64 -1.506 5.140 13.827 1.00 0.00 N ATOM 908 CA LEU A 64 -2.024 6.058 14.825 1.00 0.00 C ATOM 909 C LEU A 64 -3.240 5.432 15.508 1.00 0.00 C ATOM 910 O LEU A 64 -3.240 5.232 16.723 1.00 0.00 O ATOM 911 CB LEU A 64 -2.308 7.426 14.198 1.00 0.00 C ATOM 912 CG LEU A 64 -2.484 8.589 15.177 1.00 0.00 C ATOM 913 CD1 LEU A 64 -1.132 9.179 15.578 1.00 0.00 C ATOM 914 CD2 LEU A 64 -3.426 9.650 14.603 1.00 0.00 C ATOM 0 H LEU A 64 -1.784 5.351 12.869 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.279 6.235 15.601 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.491 7.669 13.519 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.211 7.346 13.593 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.947 8.204 16.085 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.287 10.003 16.274 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.527 8.409 16.056 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.617 9.546 14.690 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.534 10.466 15.318 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.014 10.037 13.671 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.402 9.204 14.411 1.00 0.00 H new