USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 719 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 32 ASN : amide:sc= -3.1 K(o=-4.5,f=-7.2!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.46 K(o=-4.5,f=-6.6!) USER MOD Set 1.3: A 64 THR OG1 : rot 180:sc= 0.0286 USER MOD Set 2.1: A 35 THR OG1 : rot 132:sc= 0.671 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 0.152 USER MOD Single : A 2 SER OG : rot 26:sc= 0.445 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.758 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.48 K(o=-1.5,f=-6.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= -0.775 (180deg=-1.05) USER MOD Single : A 53 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.1) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -135:sc= -6.92! (180deg=-9.52!) USER MOD Single : A 74 SER OG : rot -80:sc= -0.701 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 152:sc= -0.0775 (180deg=-0.466) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 3.129 1.985 -0.383 1.00 0.00 N ATOM 19 CA SER A 2 3.704 3.287 -0.701 1.00 0.00 C ATOM 20 C SER A 2 3.050 4.387 0.130 1.00 0.00 C ATOM 21 O SER A 2 1.895 4.747 -0.097 1.00 0.00 O ATOM 22 CB SER A 2 3.540 3.591 -2.191 1.00 0.00 C ATOM 23 OG SER A 2 3.660 2.412 -2.968 1.00 0.00 O ATOM 0 HA SER A 2 4.766 3.256 -0.459 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.567 4.049 -2.367 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.293 4.314 -2.503 1.00 0.00 H new ATOM 0 HG SER A 2 3.414 1.635 -2.424 1.00 0.00 H new ATOM 29 N VAL A 3 3.797 4.917 1.093 1.00 0.00 N ATOM 30 CA VAL A 3 3.292 5.977 1.957 1.00 0.00 C ATOM 31 C VAL A 3 2.977 7.235 1.156 1.00 0.00 C ATOM 32 O VAL A 3 2.007 7.937 1.442 1.00 0.00 O ATOM 33 CB VAL A 3 4.302 6.326 3.066 1.00 0.00 C ATOM 34 CG1 VAL A 3 3.869 7.583 3.806 1.00 0.00 C ATOM 35 CG2 VAL A 3 4.462 5.159 4.028 1.00 0.00 C ATOM 0 H VAL A 3 4.755 4.629 1.294 1.00 0.00 H new ATOM 0 HA VAL A 3 2.376 5.603 2.415 1.00 0.00 H new ATOM 0 HB VAL A 3 5.270 6.520 2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.595 7.814 4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.811 8.416 3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.890 7.420 4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.179 5.424 4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.500 4.930 4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.822 4.286 3.484 1.00 0.00 H new ATOM 45 N GLU A 4 3.803 7.514 0.153 1.00 0.00 N ATOM 46 CA GLU A 4 3.611 8.689 -0.689 1.00 0.00 C ATOM 47 C GLU A 4 2.284 8.611 -1.438 1.00 0.00 C ATOM 48 O GLU A 4 1.607 9.622 -1.633 1.00 0.00 O ATOM 49 CB GLU A 4 4.764 8.823 -1.686 1.00 0.00 C ATOM 50 CG GLU A 4 5.525 10.133 -1.564 1.00 0.00 C ATOM 51 CD GLU A 4 6.913 10.060 -2.169 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.336 11.050 -2.803 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.577 9.014 -2.010 1.00 0.00 O ATOM 0 H GLU A 4 4.611 6.943 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 4 3.593 9.567 -0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.457 7.995 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.370 8.734 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.960 10.924 -2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.605 10.405 -0.512 1.00 0.00 H new ATOM 60 N THR A 5 1.917 7.404 -1.857 1.00 0.00 N ATOM 61 CA THR A 5 0.673 7.193 -2.585 1.00 0.00 C ATOM 62 C THR A 5 -0.537 7.416 -1.685 1.00 0.00 C ATOM 63 O THR A 5 -1.666 7.526 -2.162 1.00 0.00 O ATOM 64 CB THR A 5 0.602 5.773 -3.178 1.00 0.00 C ATOM 65 OG1 THR A 5 1.785 5.500 -3.938 1.00 0.00 O ATOM 66 CG2 THR A 5 -0.624 5.616 -4.064 1.00 0.00 C ATOM 0 H THR A 5 2.465 6.557 -1.704 1.00 0.00 H new ATOM 0 HA THR A 5 0.657 7.920 -3.397 1.00 0.00 H new ATOM 0 HB THR A 5 0.528 5.063 -2.354 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.733 4.595 -4.310 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.652 4.605 -4.471 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.524 5.795 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.576 6.335 -4.882 1.00 0.00 H new ATOM 74 N ILE A 6 -0.293 7.482 -0.380 1.00 0.00 N ATOM 75 CA ILE A 6 -1.363 7.693 0.587 1.00 0.00 C ATOM 76 C ILE A 6 -1.673 9.178 0.747 1.00 0.00 C ATOM 77 O ILE A 6 -2.815 9.605 0.574 1.00 0.00 O ATOM 78 CB ILE A 6 -1.002 7.105 1.964 1.00 0.00 C ATOM 79 CG1 ILE A 6 -0.181 5.824 1.796 1.00 0.00 C ATOM 80 CG2 ILE A 6 -2.263 6.830 2.769 1.00 0.00 C ATOM 81 CD1 ILE A 6 -0.854 4.784 0.927 1.00 0.00 C ATOM 0 H ILE A 6 0.636 7.392 0.031 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.243 7.179 0.201 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.399 7.833 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.787 6.077 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.012 5.394 2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.992 6.415 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.813 7.760 2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.889 6.118 2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.215 3.904 0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.809 4.503 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.023 5.195 -0.068 1.00 0.00 H new ATOM 93 N ILE A 7 -0.650 9.959 1.076 1.00 0.00 N ATOM 94 CA ILE A 7 -0.813 11.396 1.256 1.00 0.00 C ATOM 95 C ILE A 7 -1.269 12.063 -0.037 1.00 0.00 C ATOM 96 O ILE A 7 -2.113 12.959 -0.020 1.00 0.00 O ATOM 97 CB ILE A 7 0.496 12.056 1.727 1.00 0.00 C ATOM 98 CG1 ILE A 7 0.873 11.553 3.122 1.00 0.00 C ATOM 99 CG2 ILE A 7 0.355 13.571 1.725 1.00 0.00 C ATOM 100 CD1 ILE A 7 -0.190 11.815 4.167 1.00 0.00 C ATOM 0 H ILE A 7 0.301 9.621 1.223 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.576 11.534 2.022 1.00 0.00 H new ATOM 0 HB ILE A 7 1.293 11.783 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.066 10.481 3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.802 12.031 3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.288 14.024 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.127 13.914 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.452 13.862 2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.145 11.432 5.131 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.367 12.888 4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.114 11.314 3.879 1.00 0.00 H new ATOM 112 N GLU A 8 -0.707 11.619 -1.157 1.00 0.00 N ATOM 113 CA GLU A 8 -1.057 12.174 -2.459 1.00 0.00 C ATOM 114 C GLU A 8 -2.571 12.277 -2.617 1.00 0.00 C ATOM 115 O GLU A 8 -3.091 13.297 -3.071 1.00 0.00 O ATOM 116 CB GLU A 8 -0.474 11.310 -3.579 1.00 0.00 C ATOM 117 CG GLU A 8 0.061 12.114 -4.752 1.00 0.00 C ATOM 118 CD GLU A 8 -1.001 12.987 -5.394 1.00 0.00 C ATOM 119 OE1 GLU A 8 -1.773 12.465 -6.225 1.00 0.00 O ATOM 120 OE2 GLU A 8 -1.059 14.190 -5.065 1.00 0.00 O ATOM 0 H GLU A 8 -0.008 10.877 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.633 13.176 -2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.330 10.697 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.244 10.627 -3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.885 12.741 -4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.467 11.433 -5.500 1.00 0.00 H new ATOM 127 N ARG A 9 -3.273 11.214 -2.239 1.00 0.00 N ATOM 128 CA ARG A 9 -4.728 11.183 -2.340 1.00 0.00 C ATOM 129 C ARG A 9 -5.359 12.212 -1.406 1.00 0.00 C ATOM 130 O ARG A 9 -6.370 12.830 -1.741 1.00 0.00 O ATOM 131 CB ARG A 9 -5.254 9.786 -2.008 1.00 0.00 C ATOM 132 CG ARG A 9 -4.460 8.665 -2.659 1.00 0.00 C ATOM 133 CD ARG A 9 -5.375 7.630 -3.295 1.00 0.00 C ATOM 134 NE ARG A 9 -5.167 7.528 -4.737 1.00 0.00 N ATOM 135 CZ ARG A 9 -5.708 8.361 -5.618 1.00 0.00 C ATOM 136 NH1 ARG A 9 -6.486 9.353 -5.207 1.00 0.00 N ATOM 137 NH2 ARG A 9 -5.472 8.203 -6.914 1.00 0.00 N ATOM 0 H ARG A 9 -2.858 10.363 -1.860 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.002 11.432 -3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.240 9.649 -0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.294 9.714 -2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.797 9.081 -3.417 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.828 8.184 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.199 6.658 -2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.414 7.894 -3.096 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.574 6.776 -5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.670 9.478 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.900 9.991 -5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.874 7.441 -7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.888 8.844 -7.590 1.00 0.00 H new ATOM 151 N ILE A 10 -4.756 12.389 -0.235 1.00 0.00 N ATOM 152 CA ILE A 10 -5.260 13.342 0.746 1.00 0.00 C ATOM 153 C ILE A 10 -5.144 14.773 0.231 1.00 0.00 C ATOM 154 O ILE A 10 -6.122 15.521 0.218 1.00 0.00 O ATOM 155 CB ILE A 10 -4.503 13.226 2.082 1.00 0.00 C ATOM 156 CG1 ILE A 10 -4.738 11.850 2.708 1.00 0.00 C ATOM 157 CG2 ILE A 10 -4.940 14.329 3.035 1.00 0.00 C ATOM 158 CD1 ILE A 10 -3.875 11.583 3.922 1.00 0.00 C ATOM 0 H ILE A 10 -3.919 11.885 0.057 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.310 13.102 0.911 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.436 13.340 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.787 11.763 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.546 11.082 1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.396 14.234 3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.727 15.301 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.010 14.243 3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.095 10.590 4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.824 11.637 3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.084 12.329 4.688 1.00 0.00 H new ATOM 170 N LYS A 11 -3.942 15.148 -0.194 1.00 0.00 N ATOM 171 CA LYS A 11 -3.697 16.488 -0.713 1.00 0.00 C ATOM 172 C LYS A 11 -4.481 16.724 -2.000 1.00 0.00 C ATOM 173 O LYS A 11 -5.039 17.801 -2.209 1.00 0.00 O ATOM 174 CB LYS A 11 -2.203 16.693 -0.969 1.00 0.00 C ATOM 175 CG LYS A 11 -1.315 16.133 0.129 1.00 0.00 C ATOM 176 CD LYS A 11 0.141 16.510 -0.085 1.00 0.00 C ATOM 177 CE LYS A 11 0.338 18.018 -0.049 1.00 0.00 C ATOM 178 NZ LYS A 11 0.722 18.559 -1.382 1.00 0.00 N ATOM 0 H LYS A 11 -3.122 14.542 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.033 17.207 0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.937 16.222 -1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.004 17.759 -1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.650 16.508 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.410 15.048 0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.756 16.043 0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.482 16.120 -1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.582 18.497 0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.110 18.266 0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.847 19.589 -1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.614 18.121 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.026 18.345 -2.072 1.00 0.00 H new ATOM 192 N ALA A 12 -4.521 15.711 -2.858 1.00 0.00 N ATOM 193 CA ALA A 12 -5.239 15.807 -4.123 1.00 0.00 C ATOM 194 C ALA A 12 -6.740 15.948 -3.892 1.00 0.00 C ATOM 195 O ALA A 12 -7.442 16.583 -4.679 1.00 0.00 O ATOM 196 CB ALA A 12 -4.948 14.592 -4.990 1.00 0.00 C ATOM 0 H ALA A 12 -4.064 14.813 -2.700 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.892 16.700 -4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.491 14.678 -5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.878 14.537 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.266 13.689 -4.469 1.00 0.00 H new ATOM 202 N ARG A 13 -7.226 15.352 -2.808 1.00 0.00 N ATOM 203 CA ARG A 13 -8.644 15.409 -2.475 1.00 0.00 C ATOM 204 C ARG A 13 -8.990 16.731 -1.795 1.00 0.00 C ATOM 205 O ARG A 13 -9.893 17.446 -2.228 1.00 0.00 O ATOM 206 CB ARG A 13 -9.024 14.240 -1.564 1.00 0.00 C ATOM 207 CG ARG A 13 -9.158 12.916 -2.297 1.00 0.00 C ATOM 208 CD ARG A 13 -10.551 12.742 -2.882 1.00 0.00 C ATOM 209 NE ARG A 13 -10.718 11.439 -3.522 1.00 0.00 N ATOM 210 CZ ARG A 13 -10.226 11.140 -4.719 1.00 0.00 C ATOM 211 NH1 ARG A 13 -9.540 12.046 -5.403 1.00 0.00 N ATOM 212 NH2 ARG A 13 -10.419 9.933 -5.234 1.00 0.00 N ATOM 0 H ARG A 13 -6.658 14.824 -2.145 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.212 15.337 -3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.270 14.139 -0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.968 14.468 -1.068 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.418 12.864 -3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.945 12.096 -1.611 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.293 12.855 -2.091 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.739 13.530 -3.611 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.241 10.720 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.389 12.975 -5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.163 11.814 -6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.946 9.234 -4.711 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.041 9.704 -6.153 1.00 0.00 H new ATOM 226 N VAL A 14 -8.265 17.048 -0.727 1.00 0.00 N ATOM 227 CA VAL A 14 -8.494 18.284 0.013 1.00 0.00 C ATOM 228 C VAL A 14 -8.574 19.481 -0.928 1.00 0.00 C ATOM 229 O VAL A 14 -9.465 20.321 -0.806 1.00 0.00 O ATOM 230 CB VAL A 14 -7.382 18.532 1.049 1.00 0.00 C ATOM 231 CG1 VAL A 14 -7.515 17.568 2.217 1.00 0.00 C ATOM 232 CG2 VAL A 14 -6.012 18.409 0.399 1.00 0.00 C ATOM 0 H VAL A 14 -7.514 16.466 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.445 18.170 0.533 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.487 19.547 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.720 17.759 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.483 17.710 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.437 16.543 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.238 18.587 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.894 17.407 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.921 19.144 -0.401 1.00 0.00 H new ATOM 242 N GLY A 15 -7.637 19.552 -1.868 1.00 0.00 N ATOM 243 CA GLY A 15 -7.619 20.650 -2.817 1.00 0.00 C ATOM 244 C GLY A 15 -8.893 20.730 -3.635 1.00 0.00 C ATOM 245 O GLY A 15 -9.206 21.773 -4.207 1.00 0.00 O ATOM 0 H GLY A 15 -6.890 18.869 -1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.476 21.588 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.767 20.533 -3.487 1.00 0.00 H new ATOM 249 N ALA A 16 -9.627 19.624 -3.692 1.00 0.00 N ATOM 250 CA ALA A 16 -10.874 19.573 -4.446 1.00 0.00 C ATOM 251 C ALA A 16 -12.081 19.647 -3.517 1.00 0.00 C ATOM 252 O ALA A 16 -13.127 20.181 -3.885 1.00 0.00 O ATOM 253 CB ALA A 16 -10.930 18.307 -5.288 1.00 0.00 C ATOM 0 H ALA A 16 -9.380 18.751 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.905 20.438 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.866 18.282 -5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.092 18.296 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.872 17.434 -4.637 1.00 0.00 H new ATOM 398 N LEU A 26 -12.563 21.482 12.609 1.00 0.00 N ATOM 399 CA LEU A 26 -11.629 22.584 12.407 1.00 0.00 C ATOM 400 C LEU A 26 -10.462 22.494 13.385 1.00 0.00 C ATOM 401 O LEU A 26 -10.634 22.672 14.590 1.00 0.00 O ATOM 402 CB LEU A 26 -12.347 23.924 12.574 1.00 0.00 C ATOM 403 CG LEU A 26 -12.997 24.172 13.936 1.00 0.00 C ATOM 404 CD1 LEU A 26 -12.419 25.421 14.584 1.00 0.00 C ATOM 405 CD2 LEU A 26 -14.507 24.294 13.791 1.00 0.00 C ATOM 0 HA LEU A 26 -11.236 22.514 11.393 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.631 24.723 12.385 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.118 23.999 11.807 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.781 23.320 14.581 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.893 25.581 15.552 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.345 25.295 14.723 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.604 26.283 13.942 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.953 24.470 14.770 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.743 25.127 13.129 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.908 23.372 13.370 1.00 0.00 H new ATOM 417 N GLY A 27 -9.273 22.219 12.857 1.00 0.00 N ATOM 418 CA GLY A 27 -8.095 22.112 13.697 1.00 0.00 C ATOM 419 C GLY A 27 -6.948 21.408 13.000 1.00 0.00 C ATOM 420 O GLY A 27 -6.681 21.654 11.824 1.00 0.00 O ATOM 0 H GLY A 27 -9.105 22.068 11.862 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.776 23.110 13.998 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.350 21.570 14.608 1.00 0.00 H new ATOM 424 N VAL A 28 -6.265 20.529 13.727 1.00 0.00 N ATOM 425 CA VAL A 28 -5.140 19.786 13.172 1.00 0.00 C ATOM 426 C VAL A 28 -5.050 18.391 13.778 1.00 0.00 C ATOM 427 O VAL A 28 -5.403 18.182 14.939 1.00 0.00 O ATOM 428 CB VAL A 28 -3.809 20.525 13.409 1.00 0.00 C ATOM 429 CG1 VAL A 28 -2.724 19.977 12.494 1.00 0.00 C ATOM 430 CG2 VAL A 28 -3.986 22.021 13.203 1.00 0.00 C ATOM 0 H VAL A 28 -6.472 20.314 14.702 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.314 19.701 12.099 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.500 20.358 14.441 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.791 20.511 12.675 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.580 18.916 12.696 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.023 20.111 11.454 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.036 22.527 13.375 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.319 22.211 12.183 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.730 22.399 13.904 1.00 0.00 H new ATOM 440 N PHE A 29 -4.573 17.437 12.985 1.00 0.00 N ATOM 441 CA PHE A 29 -4.436 16.059 13.443 1.00 0.00 C ATOM 442 C PHE A 29 -3.040 15.522 13.141 1.00 0.00 C ATOM 443 O PHE A 29 -2.399 15.940 12.178 1.00 0.00 O ATOM 444 CB PHE A 29 -5.491 15.171 12.779 1.00 0.00 C ATOM 445 CG PHE A 29 -6.736 15.002 13.603 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.464 16.106 14.018 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.178 13.739 13.963 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.610 15.953 14.775 1.00 0.00 C ATOM 449 CE2 PHE A 29 -8.323 13.580 14.720 1.00 0.00 C ATOM 450 CZ PHE A 29 -9.039 14.689 15.128 1.00 0.00 C ATOM 0 H PHE A 29 -4.275 17.593 12.022 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.586 16.045 14.522 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.759 15.599 11.813 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.058 14.190 12.584 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.132 17.097 13.747 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.621 12.869 13.648 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.170 16.821 15.090 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.658 12.590 14.992 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.933 14.567 15.722 1.00 0.00 H new ATOM 460 N GLN A 30 -2.578 14.593 13.972 1.00 0.00 N ATOM 461 CA GLN A 30 -1.258 14.000 13.795 1.00 0.00 C ATOM 462 C GLN A 30 -1.370 12.535 13.384 1.00 0.00 C ATOM 463 O GLN A 30 -1.645 11.666 14.213 1.00 0.00 O ATOM 464 CB GLN A 30 -0.444 14.119 15.085 1.00 0.00 C ATOM 465 CG GLN A 30 1.026 13.774 14.911 1.00 0.00 C ATOM 466 CD GLN A 30 1.628 14.394 13.666 1.00 0.00 C ATOM 467 OE1 GLN A 30 1.300 15.524 13.301 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.514 13.658 13.006 1.00 0.00 N ATOM 0 H GLN A 30 -3.098 14.235 14.773 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.747 14.544 13.000 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.527 15.137 15.465 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.876 13.461 15.839 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.581 14.113 15.786 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.138 12.691 14.863 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.756 12.727 13.344 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.952 14.024 12.161 1.00 0.00 H new ATOM 477 N LEU A 31 -1.157 12.268 12.101 1.00 0.00 N ATOM 478 CA LEU A 31 -1.234 10.908 11.579 1.00 0.00 C ATOM 479 C LEU A 31 0.119 10.211 11.672 1.00 0.00 C ATOM 480 O LEU A 31 1.165 10.849 11.571 1.00 0.00 O ATOM 481 CB LEU A 31 -1.713 10.924 10.126 1.00 0.00 C ATOM 482 CG LEU A 31 -3.186 11.274 9.909 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.355 12.114 8.653 1.00 0.00 C ATOM 484 CD2 LEU A 31 -4.027 10.009 9.824 1.00 0.00 C ATOM 0 H LEU A 31 -0.929 12.975 11.402 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.950 10.353 12.185 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.105 11.639 9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.526 9.942 9.692 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.531 11.859 10.762 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.409 12.353 8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.783 13.037 8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.994 11.555 7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.072 10.277 9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.682 9.398 8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.930 9.445 10.752 1.00 0.00 H new ATOM 496 N ASN A 32 0.089 8.896 11.864 1.00 0.00 N ATOM 497 CA ASN A 32 1.314 8.111 11.969 1.00 0.00 C ATOM 498 C ASN A 32 1.154 6.758 11.282 1.00 0.00 C ATOM 499 O ASN A 32 0.256 5.984 11.616 1.00 0.00 O ATOM 500 CB ASN A 32 1.690 7.908 13.438 1.00 0.00 C ATOM 501 CG ASN A 32 1.242 9.061 14.314 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.579 10.217 14.058 1.00 0.00 O ATOM 503 ND2 ASN A 32 0.477 8.751 15.355 1.00 0.00 N ATOM 0 H ASN A 32 -0.769 8.352 11.950 1.00 0.00 H new ATOM 0 HA ASN A 32 2.112 8.660 11.469 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.240 6.984 13.801 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.771 7.791 13.521 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.144 9.485 15.980 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.222 7.779 15.529 1.00 0.00 H new ATOM 510 N ILE A 33 2.029 6.481 10.321 1.00 0.00 N ATOM 511 CA ILE A 33 1.986 5.221 9.589 1.00 0.00 C ATOM 512 C ILE A 33 2.990 4.222 10.154 1.00 0.00 C ATOM 513 O ILE A 33 4.200 4.436 10.089 1.00 0.00 O ATOM 514 CB ILE A 33 2.275 5.431 8.091 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.747 6.792 7.633 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.652 4.312 7.270 1.00 0.00 C ATOM 517 CD1 ILE A 33 0.250 6.942 7.785 1.00 0.00 C ATOM 0 H ILE A 33 2.776 7.112 10.031 1.00 0.00 H new ATOM 0 HA ILE A 33 0.978 4.823 9.704 1.00 0.00 H new ATOM 0 HB ILE A 33 3.354 5.411 7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.242 7.576 8.206 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.015 6.943 6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.865 4.474 6.213 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.071 3.355 7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.573 4.304 7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.053 7.931 7.441 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.254 6.180 7.190 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.023 6.823 8.834 1.00 0.00 H new ATOM 529 N LYS A 34 2.479 3.128 10.708 1.00 0.00 N ATOM 530 CA LYS A 34 3.329 2.092 11.282 1.00 0.00 C ATOM 531 C LYS A 34 4.043 1.305 10.188 1.00 0.00 C ATOM 532 O LYS A 34 3.420 0.851 9.228 1.00 0.00 O ATOM 533 CB LYS A 34 2.498 1.143 12.148 1.00 0.00 C ATOM 534 CG LYS A 34 1.933 -0.041 11.382 1.00 0.00 C ATOM 535 CD LYS A 34 0.765 -0.675 12.119 1.00 0.00 C ATOM 536 CE LYS A 34 1.240 -1.695 13.143 1.00 0.00 C ATOM 537 NZ LYS A 34 0.143 -2.111 14.061 1.00 0.00 N ATOM 0 H LYS A 34 1.479 2.936 10.772 1.00 0.00 H new ATOM 0 HA LYS A 34 4.080 2.578 11.904 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.117 0.774 12.966 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.676 1.700 12.597 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.607 0.285 10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.716 -0.784 11.230 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.184 0.101 12.619 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.101 -1.159 11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.634 -2.571 12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.059 -1.272 13.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.507 -2.806 14.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.216 -1.279 14.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.628 -2.538 13.509 1.00 0.00 H new ATOM 551 N THR A 35 5.354 1.146 10.339 1.00 0.00 N ATOM 552 CA THR A 35 6.153 0.413 9.364 1.00 0.00 C ATOM 553 C THR A 35 7.126 -0.536 10.052 1.00 0.00 C ATOM 554 O THR A 35 7.281 -0.504 11.273 1.00 0.00 O ATOM 555 CB THR A 35 6.945 1.371 8.454 1.00 0.00 C ATOM 556 OG1 THR A 35 8.037 1.946 9.180 1.00 0.00 O ATOM 557 CG2 THR A 35 6.047 2.477 7.920 1.00 0.00 C ATOM 0 H THR A 35 5.885 1.515 11.127 1.00 0.00 H new ATOM 0 HA THR A 35 5.457 -0.164 8.755 1.00 0.00 H new ATOM 0 HB THR A 35 7.331 0.799 7.610 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.856 1.877 8.647 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.629 3.141 7.280 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.233 2.038 7.343 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.635 3.046 8.754 1.00 0.00 H new ATOM 565 N ALA A 36 7.780 -1.381 9.262 1.00 0.00 N ATOM 566 CA ALA A 36 8.740 -2.339 9.796 1.00 0.00 C ATOM 567 C ALA A 36 10.066 -1.661 10.126 1.00 0.00 C ATOM 568 O ALA A 36 10.925 -2.245 10.786 1.00 0.00 O ATOM 569 CB ALA A 36 8.959 -3.475 8.807 1.00 0.00 C ATOM 0 H ALA A 36 7.662 -1.422 8.250 1.00 0.00 H new ATOM 0 HA ALA A 36 8.331 -2.749 10.719 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.678 -4.183 9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.013 -3.985 8.623 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.343 -3.072 7.870 1.00 0.00 H new ATOM 575 N SER A 37 10.224 -0.425 9.663 1.00 0.00 N ATOM 576 CA SER A 37 11.447 0.331 9.906 1.00 0.00 C ATOM 577 C SER A 37 11.216 1.416 10.955 1.00 0.00 C ATOM 578 O SER A 37 12.161 1.920 11.561 1.00 0.00 O ATOM 579 CB SER A 37 11.949 0.962 8.606 1.00 0.00 C ATOM 580 OG SER A 37 10.918 1.688 7.960 1.00 0.00 O ATOM 0 H SER A 37 9.521 0.074 9.118 1.00 0.00 H new ATOM 0 HA SER A 37 12.202 -0.359 10.282 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.786 1.626 8.820 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.322 0.183 7.940 1.00 0.00 H new ATOM 0 HG SER A 37 11.265 2.083 7.133 1.00 0.00 H new ATOM 586 N GLY A 38 9.952 1.770 11.162 1.00 0.00 N ATOM 587 CA GLY A 38 9.618 2.792 12.137 1.00 0.00 C ATOM 588 C GLY A 38 8.183 3.265 12.013 1.00 0.00 C ATOM 589 O GLY A 38 7.264 2.456 11.884 1.00 0.00 O ATOM 0 H GLY A 38 9.153 1.368 10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.783 2.400 13.141 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.289 3.642 12.013 1.00 0.00 H new ATOM 593 N VAL A 39 7.989 4.579 12.054 1.00 0.00 N ATOM 594 CA VAL A 39 6.656 5.159 11.946 1.00 0.00 C ATOM 595 C VAL A 39 6.694 6.492 11.208 1.00 0.00 C ATOM 596 O VAL A 39 7.317 7.449 11.668 1.00 0.00 O ATOM 597 CB VAL A 39 6.022 5.371 13.334 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.839 6.322 13.241 1.00 0.00 C ATOM 599 CG2 VAL A 39 5.600 4.038 13.936 1.00 0.00 C ATOM 0 H VAL A 39 8.739 5.262 12.161 1.00 0.00 H new ATOM 0 HA VAL A 39 6.048 4.452 11.381 1.00 0.00 H new ATOM 0 HB VAL A 39 6.767 5.820 13.990 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.404 6.460 14.231 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.175 7.284 12.855 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.088 5.905 12.570 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.154 4.206 14.916 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.871 3.559 13.283 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.473 3.393 14.040 1.00 0.00 H new ATOM 609 N GLU A 40 6.023 6.547 10.062 1.00 0.00 N ATOM 610 CA GLU A 40 5.981 7.765 9.260 1.00 0.00 C ATOM 611 C GLU A 40 4.928 8.732 9.794 1.00 0.00 C ATOM 612 O GLU A 40 3.729 8.473 9.698 1.00 0.00 O ATOM 613 CB GLU A 40 5.686 7.428 7.797 1.00 0.00 C ATOM 614 CG GLU A 40 6.928 7.108 6.983 1.00 0.00 C ATOM 615 CD GLU A 40 6.731 7.345 5.499 1.00 0.00 C ATOM 616 OE1 GLU A 40 7.013 6.420 4.708 1.00 0.00 O ATOM 617 OE2 GLU A 40 6.294 8.454 5.127 1.00 0.00 O ATOM 0 H GLU A 40 5.502 5.764 9.668 1.00 0.00 H new ATOM 0 HA GLU A 40 6.957 8.247 9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.008 6.576 7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.167 8.269 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.758 7.720 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.207 6.067 7.147 1.00 0.00 H new ATOM 624 N GLN A 41 5.386 9.846 10.355 1.00 0.00 N ATOM 625 CA GLN A 41 4.484 10.850 10.905 1.00 0.00 C ATOM 626 C GLN A 41 4.014 11.812 9.819 1.00 0.00 C ATOM 627 O GLN A 41 4.745 12.100 8.872 1.00 0.00 O ATOM 628 CB GLN A 41 5.175 11.627 12.027 1.00 0.00 C ATOM 629 CG GLN A 41 5.730 10.740 13.129 1.00 0.00 C ATOM 630 CD GLN A 41 5.001 10.920 14.446 1.00 0.00 C ATOM 631 OE1 GLN A 41 5.150 11.942 15.117 1.00 0.00 O ATOM 632 NE2 GLN A 41 4.207 9.925 14.824 1.00 0.00 N ATOM 0 H GLN A 41 6.376 10.076 10.441 1.00 0.00 H new ATOM 0 HA GLN A 41 3.613 10.336 11.312 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.988 12.216 11.602 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.465 12.330 12.461 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.661 9.697 12.820 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.788 10.962 13.270 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.113 9.096 14.237 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.691 9.990 15.701 1.00 0.00 H new ATOM 641 N TRP A 42 2.789 12.306 9.964 1.00 0.00 N ATOM 642 CA TRP A 42 2.221 13.236 8.994 1.00 0.00 C ATOM 643 C TRP A 42 1.328 14.262 9.683 1.00 0.00 C ATOM 644 O TRP A 42 0.648 13.949 10.661 1.00 0.00 O ATOM 645 CB TRP A 42 1.422 12.475 7.935 1.00 0.00 C ATOM 646 CG TRP A 42 2.284 11.817 6.900 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.663 10.505 6.863 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.875 12.440 5.755 1.00 0.00 C ATOM 649 NE1 TRP A 42 3.454 10.275 5.763 1.00 0.00 N ATOM 650 CE2 TRP A 42 3.599 11.446 5.067 1.00 0.00 C ATOM 651 CE3 TRP A 42 2.863 13.740 5.242 1.00 0.00 C ATOM 652 CZ2 TRP A 42 4.302 11.714 3.895 1.00 0.00 C ATOM 653 CZ3 TRP A 42 3.561 14.004 4.079 1.00 0.00 C ATOM 654 CH2 TRP A 42 4.272 12.995 3.416 1.00 0.00 C ATOM 0 H TRP A 42 2.171 12.078 10.743 1.00 0.00 H new ATOM 0 HA TRP A 42 3.042 13.764 8.509 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.812 11.716 8.426 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.737 13.165 7.442 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.382 9.758 7.591 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.866 9.378 5.506 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.318 14.524 5.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.851 10.938 3.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.558 15.005 3.674 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.807 13.233 2.509 1.00 0.00 H new ATOM 665 N ILE A 43 1.334 15.486 9.166 1.00 0.00 N ATOM 666 CA ILE A 43 0.523 16.557 9.732 1.00 0.00 C ATOM 667 C ILE A 43 -0.617 16.938 8.793 1.00 0.00 C ATOM 668 O ILE A 43 -0.407 17.146 7.598 1.00 0.00 O ATOM 669 CB ILE A 43 1.370 17.809 10.027 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.503 17.468 10.998 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.496 18.918 10.594 1.00 0.00 C ATOM 672 CD1 ILE A 43 3.833 18.073 10.610 1.00 0.00 C ATOM 0 H ILE A 43 1.891 15.761 8.357 1.00 0.00 H new ATOM 0 HA ILE A 43 0.110 16.179 10.667 1.00 0.00 H new ATOM 0 HB ILE A 43 1.810 18.160 9.094 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.232 17.815 11.995 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.608 16.385 11.055 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.109 19.796 10.797 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.279 19.176 9.872 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.031 18.578 11.519 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.589 17.790 11.342 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.126 17.707 9.626 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.744 19.159 10.581 1.00 0.00 H new ATOM 684 N VAL A 44 -1.824 17.029 9.342 1.00 0.00 N ATOM 685 CA VAL A 44 -2.997 17.388 8.555 1.00 0.00 C ATOM 686 C VAL A 44 -3.832 18.448 9.264 1.00 0.00 C ATOM 687 O VAL A 44 -4.006 18.403 10.482 1.00 0.00 O ATOM 688 CB VAL A 44 -3.881 16.158 8.272 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.786 15.867 9.460 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.699 16.370 7.008 1.00 0.00 C ATOM 0 H VAL A 44 -2.015 16.859 10.329 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.633 17.790 7.610 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.234 15.294 8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.403 14.995 9.242 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.177 15.669 10.342 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.428 16.728 9.648 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.317 15.492 6.823 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.338 17.244 7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.029 16.526 6.163 1.00 0.00 H new ATOM 700 N ASP A 45 -4.346 19.401 8.494 1.00 0.00 N ATOM 701 CA ASP A 45 -5.165 20.473 9.049 1.00 0.00 C ATOM 702 C ASP A 45 -6.603 20.372 8.549 1.00 0.00 C ATOM 703 O ASP A 45 -6.845 20.068 7.380 1.00 0.00 O ATOM 704 CB ASP A 45 -4.577 21.835 8.679 1.00 0.00 C ATOM 705 CG ASP A 45 -4.924 22.909 9.691 1.00 0.00 C ATOM 706 OD1 ASP A 45 -3.993 23.450 10.326 1.00 0.00 O ATOM 707 OD2 ASP A 45 -6.125 23.210 9.848 1.00 0.00 O ATOM 0 H ASP A 45 -4.210 19.453 7.484 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.169 20.371 10.134 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.493 21.750 8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.946 22.132 7.697 1.00 0.00 H new ATOM 712 N LEU A 46 -7.553 20.630 9.441 1.00 0.00 N ATOM 713 CA LEU A 46 -8.968 20.568 9.091 1.00 0.00 C ATOM 714 C LEU A 46 -9.469 21.924 8.606 1.00 0.00 C ATOM 715 O LEU A 46 -10.169 22.015 7.597 1.00 0.00 O ATOM 716 CB LEU A 46 -9.791 20.108 10.295 1.00 0.00 C ATOM 717 CG LEU A 46 -9.041 19.294 11.350 1.00 0.00 C ATOM 718 CD1 LEU A 46 -9.959 18.953 12.514 1.00 0.00 C ATOM 719 CD2 LEU A 46 -8.463 18.027 10.735 1.00 0.00 C ATOM 0 H LEU A 46 -7.369 20.884 10.412 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.086 19.848 8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.214 20.989 10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.627 19.511 9.931 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.217 19.899 11.729 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.408 18.374 13.255 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.324 19.873 12.971 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.804 18.368 12.152 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.933 17.460 11.500 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.271 17.419 10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.771 18.293 9.936 1.00 0.00 H new ATOM 731 N LYS A 47 -9.104 22.977 9.330 1.00 0.00 N ATOM 732 CA LYS A 47 -9.513 24.330 8.973 1.00 0.00 C ATOM 733 C LYS A 47 -9.365 24.565 7.473 1.00 0.00 C ATOM 734 O LYS A 47 -10.352 24.780 6.770 1.00 0.00 O ATOM 735 CB LYS A 47 -8.681 25.357 9.745 1.00 0.00 C ATOM 736 CG LYS A 47 -8.560 25.050 11.228 1.00 0.00 C ATOM 737 CD LYS A 47 -9.095 26.189 12.079 1.00 0.00 C ATOM 738 CE LYS A 47 -8.409 26.242 13.435 1.00 0.00 C ATOM 739 NZ LYS A 47 -7.983 27.625 13.787 1.00 0.00 N ATOM 0 H LYS A 47 -8.525 22.919 10.168 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.563 24.448 9.240 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.683 25.405 9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.130 26.343 9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.107 24.136 11.457 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.515 24.867 11.479 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.946 27.135 11.558 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.169 26.067 12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.087 25.865 14.200 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.539 25.585 13.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.520 27.619 14.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.316 27.976 13.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.816 28.247 13.819 1.00 0.00 H new ATOM 753 N GLN A 48 -8.127 24.522 6.991 1.00 0.00 N ATOM 754 CA GLN A 48 -7.852 24.729 5.574 1.00 0.00 C ATOM 755 C GLN A 48 -7.572 23.404 4.874 1.00 0.00 C ATOM 756 O GLN A 48 -7.800 22.332 5.437 1.00 0.00 O ATOM 757 CB GLN A 48 -6.662 25.674 5.397 1.00 0.00 C ATOM 758 CG GLN A 48 -6.750 26.930 6.250 1.00 0.00 C ATOM 759 CD GLN A 48 -5.683 27.948 5.902 1.00 0.00 C ATOM 760 OE1 GLN A 48 -5.987 29.095 5.572 1.00 0.00 O ATOM 761 NE2 GLN A 48 -4.423 27.534 5.973 1.00 0.00 N ATOM 0 H GLN A 48 -7.299 24.346 7.560 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.735 25.179 5.120 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.745 25.140 5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.590 25.962 4.348 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.733 27.382 6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.658 26.658 7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.216 26.575 6.251 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.662 28.175 5.750 1.00 0.00 H new ATOM 770 N LEU A 49 -7.077 23.483 3.644 1.00 0.00 N ATOM 771 CA LEU A 49 -6.766 22.289 2.865 1.00 0.00 C ATOM 772 C LEU A 49 -5.269 22.196 2.587 1.00 0.00 C ATOM 773 O LEU A 49 -4.828 22.349 1.448 1.00 0.00 O ATOM 774 CB LEU A 49 -7.542 22.299 1.547 1.00 0.00 C ATOM 775 CG LEU A 49 -9.066 22.260 1.665 1.00 0.00 C ATOM 776 CD1 LEU A 49 -9.498 21.169 2.633 1.00 0.00 C ATOM 777 CD2 LEU A 49 -9.602 23.613 2.110 1.00 0.00 C ATOM 0 H LEU A 49 -6.882 24.362 3.164 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.064 21.417 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.263 23.194 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.222 21.443 0.953 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.482 22.032 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.586 21.156 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.146 20.202 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.072 21.366 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.688 23.566 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.179 23.871 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.323 24.373 1.380 1.00 0.00 H new ATOM 789 N LYS A 50 -4.493 21.941 3.634 1.00 0.00 N ATOM 790 CA LYS A 50 -3.046 21.823 3.504 1.00 0.00 C ATOM 791 C LYS A 50 -2.552 20.505 4.092 1.00 0.00 C ATOM 792 O LYS A 50 -3.274 19.833 4.828 1.00 0.00 O ATOM 793 CB LYS A 50 -2.352 22.996 4.201 1.00 0.00 C ATOM 794 CG LYS A 50 -2.500 22.978 5.712 1.00 0.00 C ATOM 795 CD LYS A 50 -1.316 22.299 6.380 1.00 0.00 C ATOM 796 CE LYS A 50 -0.220 23.297 6.720 1.00 0.00 C ATOM 797 NZ LYS A 50 0.459 23.811 5.498 1.00 0.00 N ATOM 0 H LYS A 50 -4.842 21.812 4.584 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.800 21.842 2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.292 22.983 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.760 23.930 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.591 23.999 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.419 22.458 5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.648 21.798 7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.917 21.529 5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.648 24.131 7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.514 22.823 7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.294 24.367 5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.756 23.011 4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.198 24.414 4.964 1.00 0.00 H new ATOM 811 N VAL A 51 -1.316 20.141 3.763 1.00 0.00 N ATOM 812 CA VAL A 51 -0.726 18.904 4.261 1.00 0.00 C ATOM 813 C VAL A 51 0.778 19.057 4.464 1.00 0.00 C ATOM 814 O VAL A 51 1.462 19.689 3.660 1.00 0.00 O ATOM 815 CB VAL A 51 -0.986 17.730 3.298 1.00 0.00 C ATOM 816 CG1 VAL A 51 -0.133 16.529 3.678 1.00 0.00 C ATOM 817 CG2 VAL A 51 -2.463 17.365 3.291 1.00 0.00 C ATOM 0 H VAL A 51 -0.705 20.685 3.154 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.200 18.690 5.219 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.707 18.039 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.330 15.709 2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.921 16.801 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.378 16.215 4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.629 16.534 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.771 17.074 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.049 18.225 2.967 1.00 0.00 H new ATOM 827 N ASP A 52 1.285 18.473 5.544 1.00 0.00 N ATOM 828 CA ASP A 52 2.708 18.542 5.853 1.00 0.00 C ATOM 829 C ASP A 52 3.213 17.207 6.392 1.00 0.00 C ATOM 830 O ASP A 52 2.434 16.393 6.887 1.00 0.00 O ATOM 831 CB ASP A 52 2.978 19.651 6.871 1.00 0.00 C ATOM 832 CG ASP A 52 1.951 20.764 6.800 1.00 0.00 C ATOM 833 OD1 ASP A 52 2.284 21.846 6.272 1.00 0.00 O ATOM 834 OD2 ASP A 52 0.814 20.553 7.271 1.00 0.00 O ATOM 0 H ASP A 52 0.732 17.947 6.220 1.00 0.00 H new ATOM 0 HA ASP A 52 3.244 18.767 4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.980 19.226 7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.971 20.065 6.698 1.00 0.00 H new ATOM 839 N GLN A 53 4.520 16.989 6.291 1.00 0.00 N ATOM 840 CA GLN A 53 5.128 15.752 6.766 1.00 0.00 C ATOM 841 C GLN A 53 5.876 15.981 8.076 1.00 0.00 C ATOM 842 O GLN A 53 6.546 16.998 8.250 1.00 0.00 O ATOM 843 CB GLN A 53 6.082 15.189 5.712 1.00 0.00 C ATOM 844 CG GLN A 53 6.293 13.688 5.821 1.00 0.00 C ATOM 845 CD GLN A 53 7.100 13.126 4.667 1.00 0.00 C ATOM 846 OE1 GLN A 53 7.333 13.807 3.668 1.00 0.00 O ATOM 847 NE2 GLN A 53 7.533 11.878 4.800 1.00 0.00 N ATOM 0 H GLN A 53 5.179 17.653 5.884 1.00 0.00 H new ATOM 0 HA GLN A 53 4.331 15.031 6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.693 15.422 4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.046 15.690 5.802 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.802 13.464 6.758 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.324 13.191 5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.316 11.350 5.646 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.082 11.447 4.057 1.00 0.00 H new ATOM 856 N GLY A 54 5.756 15.028 8.995 1.00 0.00 N ATOM 857 CA GLY A 54 6.426 15.145 10.277 1.00 0.00 C ATOM 858 C GLY A 54 5.452 15.190 11.438 1.00 0.00 C ATOM 859 O GLY A 54 4.309 14.748 11.317 1.00 0.00 O ATOM 0 H GLY A 54 5.207 14.177 8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.104 14.301 10.408 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.036 16.048 10.283 1.00 0.00 H new ATOM 863 N VAL A 55 5.905 15.725 12.567 1.00 0.00 N ATOM 864 CA VAL A 55 5.066 15.826 13.755 1.00 0.00 C ATOM 865 C VAL A 55 4.773 17.282 14.099 1.00 0.00 C ATOM 866 O VAL A 55 5.681 18.053 14.410 1.00 0.00 O ATOM 867 CB VAL A 55 5.728 15.146 14.969 1.00 0.00 C ATOM 868 CG1 VAL A 55 7.102 15.743 15.231 1.00 0.00 C ATOM 869 CG2 VAL A 55 4.840 15.271 16.198 1.00 0.00 C ATOM 0 H VAL A 55 6.848 16.095 12.684 1.00 0.00 H new ATOM 0 HA VAL A 55 4.131 15.315 13.527 1.00 0.00 H new ATOM 0 HB VAL A 55 5.855 14.087 14.747 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.554 15.251 16.092 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.735 15.597 14.356 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.003 16.809 15.434 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.322 14.785 17.046 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.680 16.325 16.426 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.880 14.792 16.004 1.00 0.00 H new ATOM 879 N PHE A 56 3.498 17.652 14.041 1.00 0.00 N ATOM 880 CA PHE A 56 3.084 19.017 14.346 1.00 0.00 C ATOM 881 C PHE A 56 3.613 19.454 15.708 1.00 0.00 C ATOM 882 O PHE A 56 3.752 18.642 16.622 1.00 0.00 O ATOM 883 CB PHE A 56 1.558 19.127 14.319 1.00 0.00 C ATOM 884 CG PHE A 56 1.062 20.523 14.067 1.00 0.00 C ATOM 885 CD1 PHE A 56 0.084 21.081 14.873 1.00 0.00 C ATOM 886 CD2 PHE A 56 1.575 21.276 13.023 1.00 0.00 C ATOM 887 CE1 PHE A 56 -0.375 22.365 14.644 1.00 0.00 C ATOM 888 CE2 PHE A 56 1.121 22.560 12.789 1.00 0.00 C ATOM 889 CZ PHE A 56 0.144 23.105 13.600 1.00 0.00 C ATOM 0 H PHE A 56 2.734 17.026 13.786 1.00 0.00 H new ATOM 0 HA PHE A 56 3.502 19.676 13.585 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.168 18.466 13.545 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.159 18.774 15.270 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.325 20.506 15.691 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.338 20.855 12.385 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.138 22.788 15.280 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.530 23.137 11.973 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.213 24.108 13.418 1.00 0.00 H new ATOM 899 N ALA A 57 3.907 20.744 15.836 1.00 0.00 N ATOM 900 CA ALA A 57 4.419 21.291 17.086 1.00 0.00 C ATOM 901 C ALA A 57 3.428 21.078 18.225 1.00 0.00 C ATOM 902 O ALA A 57 3.814 21.009 19.392 1.00 0.00 O ATOM 903 CB ALA A 57 4.733 22.771 16.926 1.00 0.00 C ATOM 0 H ALA A 57 3.799 21.430 15.089 1.00 0.00 H new ATOM 0 HA ALA A 57 5.338 20.762 17.336 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.114 23.166 17.868 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.484 22.901 16.147 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.826 23.308 16.649 1.00 0.00 H new ATOM 909 N SER A 58 2.149 20.976 17.879 1.00 0.00 N ATOM 910 CA SER A 58 1.102 20.776 18.874 1.00 0.00 C ATOM 911 C SER A 58 -0.229 20.450 18.203 1.00 0.00 C ATOM 912 O SER A 58 -1.122 21.291 18.095 1.00 0.00 O ATOM 913 CB SER A 58 0.954 22.023 19.748 1.00 0.00 C ATOM 914 OG SER A 58 0.316 21.713 20.974 1.00 0.00 O ATOM 0 H SER A 58 1.813 21.029 16.917 1.00 0.00 H new ATOM 0 HA SER A 58 1.389 19.933 19.503 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.937 22.452 19.944 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.377 22.778 19.215 1.00 0.00 H new ATOM 0 HG SER A 58 0.235 22.526 21.515 1.00 0.00 H new ATOM 920 N PRO A 59 -0.367 19.198 17.741 1.00 0.00 N ATOM 921 CA PRO A 59 -1.586 18.731 17.073 1.00 0.00 C ATOM 922 C PRO A 59 -2.764 18.611 18.033 1.00 0.00 C ATOM 923 O PRO A 59 -2.580 18.500 19.246 1.00 0.00 O ATOM 924 CB PRO A 59 -1.190 17.353 16.537 1.00 0.00 C ATOM 925 CG PRO A 59 -0.089 16.900 17.433 1.00 0.00 C ATOM 926 CD PRO A 59 0.655 18.143 17.835 1.00 0.00 C ATOM 0 HA PRO A 59 -1.919 19.425 16.301 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.032 16.661 16.563 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.858 17.412 15.500 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.485 16.382 18.307 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.570 16.200 16.919 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.057 18.062 18.845 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.497 18.339 17.172 1.00 0.00 H new ATOM 934 N ASP A 60 -3.973 18.632 17.485 1.00 0.00 N ATOM 935 CA ASP A 60 -5.182 18.524 18.293 1.00 0.00 C ATOM 936 C ASP A 60 -5.377 17.095 18.791 1.00 0.00 C ATOM 937 O ASP A 60 -5.753 16.873 19.942 1.00 0.00 O ATOM 938 CB ASP A 60 -6.403 18.967 17.485 1.00 0.00 C ATOM 939 CG ASP A 60 -7.370 19.797 18.307 1.00 0.00 C ATOM 940 OD1 ASP A 60 -8.084 20.635 17.716 1.00 0.00 O ATOM 941 OD2 ASP A 60 -7.415 19.607 19.540 1.00 0.00 O ATOM 0 H ASP A 60 -4.143 18.723 16.483 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.071 19.179 19.157 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.074 19.546 16.622 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.919 18.088 17.100 1.00 0.00 H new ATOM 946 N VAL A 61 -5.120 16.129 17.915 1.00 0.00 N ATOM 947 CA VAL A 61 -5.267 14.721 18.265 1.00 0.00 C ATOM 948 C VAL A 61 -4.252 13.861 17.520 1.00 0.00 C ATOM 949 O VAL A 61 -3.993 14.071 16.335 1.00 0.00 O ATOM 950 CB VAL A 61 -6.685 14.210 17.951 1.00 0.00 C ATOM 951 CG1 VAL A 61 -6.893 12.820 18.533 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.730 15.180 18.480 1.00 0.00 C ATOM 0 H VAL A 61 -4.809 16.296 16.958 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.089 14.641 19.337 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.797 14.145 16.869 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.901 12.475 18.301 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.166 12.132 18.101 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.762 12.855 19.614 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.726 14.803 18.249 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.621 15.279 19.560 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.593 16.154 18.011 1.00 0.00 H new ATOM 962 N THR A 62 -3.679 12.889 18.224 1.00 0.00 N ATOM 963 CA THR A 62 -2.691 11.996 17.630 1.00 0.00 C ATOM 964 C THR A 62 -3.310 10.648 17.278 1.00 0.00 C ATOM 965 O THR A 62 -3.612 9.843 18.158 1.00 0.00 O ATOM 966 CB THR A 62 -1.498 11.769 18.578 1.00 0.00 C ATOM 967 OG1 THR A 62 -1.001 13.026 19.050 1.00 0.00 O ATOM 968 CG2 THR A 62 -0.385 11.009 17.873 1.00 0.00 C ATOM 0 H THR A 62 -3.882 12.700 19.206 1.00 0.00 H new ATOM 0 HA THR A 62 -2.335 12.478 16.719 1.00 0.00 H new ATOM 0 HB THR A 62 -1.842 11.175 19.425 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.244 12.873 19.653 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.447 10.860 18.562 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.759 10.040 17.541 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.044 11.581 17.010 1.00 0.00 H new ATOM 976 N VAL A 63 -3.495 10.408 15.983 1.00 0.00 N ATOM 977 CA VAL A 63 -4.077 9.156 15.514 1.00 0.00 C ATOM 978 C VAL A 63 -3.007 8.235 14.939 1.00 0.00 C ATOM 979 O VAL A 63 -2.056 8.689 14.302 1.00 0.00 O ATOM 980 CB VAL A 63 -5.154 9.405 14.442 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.517 9.558 13.069 1.00 0.00 C ATOM 982 CG2 VAL A 63 -6.175 8.277 14.441 1.00 0.00 C ATOM 0 H VAL A 63 -3.250 11.064 15.241 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.539 8.678 16.378 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.671 10.334 14.682 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.294 9.733 12.325 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.828 10.402 13.080 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.972 8.648 12.817 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.929 8.469 13.677 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.674 7.333 14.227 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.655 8.220 15.418 1.00 0.00 H new ATOM 992 N THR A 64 -3.167 6.935 15.168 1.00 0.00 N ATOM 993 CA THR A 64 -2.215 5.948 14.674 1.00 0.00 C ATOM 994 C THR A 64 -2.906 4.907 13.802 1.00 0.00 C ATOM 995 O THR A 64 -3.937 4.350 14.179 1.00 0.00 O ATOM 996 CB THR A 64 -1.494 5.234 15.833 1.00 0.00 C ATOM 997 OG1 THR A 64 -0.949 6.199 16.740 1.00 0.00 O ATOM 998 CG2 THR A 64 -0.382 4.339 15.309 1.00 0.00 C ATOM 0 H THR A 64 -3.948 6.541 15.693 1.00 0.00 H new ATOM 0 HA THR A 64 -1.480 6.488 14.077 1.00 0.00 H new ATOM 0 HB THR A 64 -2.221 4.614 16.357 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.494 5.737 17.475 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.113 3.846 16.146 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.804 3.587 14.642 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.344 4.942 14.763 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.330 4.646 12.632 1.00 0.00 N ATOM 1007 CA VAL A 65 -2.890 3.669 11.705 1.00 0.00 C ATOM 1008 C VAL A 65 -1.794 3.001 10.883 1.00 0.00 C ATOM 1009 O VAL A 65 -0.750 3.596 10.621 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.909 4.320 10.751 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -3.255 5.438 9.953 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.513 3.276 9.824 1.00 0.00 C ATOM 0 H VAL A 65 -1.476 5.097 12.304 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.398 2.916 12.307 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.713 4.753 11.347 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.990 5.886 9.285 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.875 6.198 10.636 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.431 5.032 9.366 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.231 3.753 9.157 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.722 2.812 9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.019 2.513 10.416 1.00 0.00 H new ATOM 1022 N GLY A 66 -2.040 1.759 10.476 1.00 0.00 N ATOM 1023 CA GLY A 66 -1.065 1.030 9.686 1.00 0.00 C ATOM 1024 C GLY A 66 -1.086 1.431 8.225 1.00 0.00 C ATOM 1025 O GLY A 66 -1.997 2.130 7.778 1.00 0.00 O ATOM 0 H GLY A 66 -2.897 1.245 10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.069 1.204 10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.261 -0.039 9.769 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.080 0.990 7.477 1.00 0.00 N ATOM 1030 CA LEU A 67 0.014 1.308 6.057 1.00 0.00 C ATOM 1031 C LEU A 67 -1.135 0.675 5.279 1.00 0.00 C ATOM 1032 O LEU A 67 -1.911 1.370 4.625 1.00 0.00 O ATOM 1033 CB LEU A 67 1.352 0.826 5.494 1.00 0.00 C ATOM 1034 CG LEU A 67 2.573 1.039 6.390 1.00 0.00 C ATOM 1035 CD1 LEU A 67 3.324 -0.269 6.588 1.00 0.00 C ATOM 1036 CD2 LEU A 67 3.491 2.099 5.799 1.00 0.00 C ATOM 0 H LEU A 67 0.682 0.411 7.831 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.051 2.391 5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.269 -0.238 5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.529 1.334 4.546 1.00 0.00 H new ATOM 0 HG LEU A 67 2.229 1.388 7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.190 -0.098 7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.665 -1.000 7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.656 -0.648 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.354 2.237 6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.828 1.780 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.949 3.041 5.710 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.238 -0.648 5.358 1.00 0.00 N ATOM 1049 CA GLU A 68 -2.294 -1.374 4.663 1.00 0.00 C ATOM 1050 C GLU A 68 -3.666 -0.801 5.007 1.00 0.00 C ATOM 1051 O GLU A 68 -4.454 -0.474 4.120 1.00 0.00 O ATOM 1052 CB GLU A 68 -2.245 -2.860 5.024 1.00 0.00 C ATOM 1053 CG GLU A 68 -0.950 -3.543 4.617 1.00 0.00 C ATOM 1054 CD GLU A 68 -1.105 -4.391 3.369 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -0.800 -3.887 2.268 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -1.530 -5.558 3.494 1.00 0.00 O ATOM 0 H GLU A 68 -0.603 -1.238 5.896 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.131 -1.262 3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.380 -2.968 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.081 -3.369 4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.183 -2.787 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.601 -4.170 5.437 1.00 0.00 H new ATOM 1063 N ASP A 69 -3.944 -0.684 6.301 1.00 0.00 N ATOM 1064 CA ASP A 69 -5.220 -0.150 6.763 1.00 0.00 C ATOM 1065 C ASP A 69 -5.509 1.202 6.119 1.00 0.00 C ATOM 1066 O ASP A 69 -6.567 1.404 5.525 1.00 0.00 O ATOM 1067 CB ASP A 69 -5.217 -0.014 8.287 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.688 -1.254 8.978 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -5.439 -2.247 9.075 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -3.521 -1.233 9.422 1.00 0.00 O ATOM 0 H ASP A 69 -3.303 -0.952 7.048 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.006 -0.846 6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.608 0.844 8.571 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.231 0.186 8.633 1.00 0.00 H new ATOM 1075 N MET A 70 -4.561 2.125 6.243 1.00 0.00 N ATOM 1076 CA MET A 70 -4.714 3.459 5.673 1.00 0.00 C ATOM 1077 C MET A 70 -4.810 3.392 4.152 1.00 0.00 C ATOM 1078 O MET A 70 -5.371 4.285 3.515 1.00 0.00 O ATOM 1079 CB MET A 70 -3.541 4.350 6.084 1.00 0.00 C ATOM 1080 CG MET A 70 -3.749 5.819 5.753 1.00 0.00 C ATOM 1081 SD MET A 70 -4.552 6.725 7.091 1.00 0.00 S ATOM 1082 CE MET A 70 -3.198 7.745 7.669 1.00 0.00 C ATOM 0 H MET A 70 -3.679 1.974 6.733 1.00 0.00 H new ATOM 0 HA MET A 70 -5.639 3.888 6.059 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.376 4.247 7.157 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.637 3.998 5.587 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.785 6.279 5.535 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.353 5.902 4.849 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.165 7.723 8.758 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.258 7.363 7.270 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.345 8.771 7.331 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.258 2.330 3.575 1.00 0.00 N ATOM 1093 CA LEU A 71 -4.281 2.147 2.128 1.00 0.00 C ATOM 1094 C LEU A 71 -5.714 2.054 1.613 1.00 0.00 C ATOM 1095 O LEU A 71 -6.091 2.750 0.672 1.00 0.00 O ATOM 1096 CB LEU A 71 -3.505 0.886 1.742 1.00 0.00 C ATOM 1097 CG LEU A 71 -3.001 0.824 0.299 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -4.169 0.741 -0.671 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -2.130 2.032 -0.013 1.00 0.00 C ATOM 0 H LEU A 71 -3.789 1.583 4.087 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.806 3.014 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.648 0.792 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.144 0.021 1.920 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.396 -0.075 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.791 0.698 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.753 -0.155 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.801 1.621 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.780 1.972 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.712 2.944 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.273 2.047 0.661 1.00 0.00 H new ATOM 1111 N ALA A 72 -6.507 1.192 2.240 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.900 1.011 1.848 1.00 0.00 C ATOM 1113 C ALA A 72 -8.683 2.312 1.989 1.00 0.00 C ATOM 1114 O ALA A 72 -9.620 2.569 1.233 1.00 0.00 O ATOM 1115 CB ALA A 72 -8.544 -0.087 2.680 1.00 0.00 C ATOM 0 H ALA A 72 -6.209 0.608 3.021 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.921 0.716 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.584 -0.211 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.007 -1.023 2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.504 0.185 3.735 1.00 0.00 H new ATOM 1121 N ILE A 73 -8.293 3.129 2.962 1.00 0.00 N ATOM 1122 CA ILE A 73 -8.959 4.404 3.201 1.00 0.00 C ATOM 1123 C ILE A 73 -8.520 5.452 2.185 1.00 0.00 C ATOM 1124 O ILE A 73 -9.326 5.940 1.393 1.00 0.00 O ATOM 1125 CB ILE A 73 -8.674 4.930 4.620 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -8.825 3.804 5.645 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -9.607 6.085 4.953 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -8.463 4.217 7.054 1.00 0.00 C ATOM 0 H ILE A 73 -7.520 2.931 3.597 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.029 4.226 3.096 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.647 5.294 4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.855 3.448 5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.195 2.966 5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.394 6.446 5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.455 6.893 4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.641 5.744 4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.594 3.369 7.727 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.424 4.545 7.081 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.110 5.035 7.371 1.00 0.00 H new ATOM 1140 N SER A 74 -7.235 5.794 2.212 1.00 0.00 N ATOM 1141 CA SER A 74 -6.688 6.786 1.294 1.00 0.00 C ATOM 1142 C SER A 74 -6.959 6.393 -0.155 1.00 0.00 C ATOM 1143 O SER A 74 -7.116 7.250 -1.023 1.00 0.00 O ATOM 1144 CB SER A 74 -5.183 6.945 1.519 1.00 0.00 C ATOM 1145 OG SER A 74 -4.444 6.269 0.517 1.00 0.00 O ATOM 0 H SER A 74 -6.554 5.398 2.860 1.00 0.00 H new ATOM 0 HA SER A 74 -7.180 7.738 1.492 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.921 8.003 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.915 6.553 2.500 1.00 0.00 H new ATOM 0 HG SER A 74 -4.405 5.313 0.728 1.00 0.00 H new ATOM 1151 N GLY A 75 -7.011 5.089 -0.408 1.00 0.00 N ATOM 1152 CA GLY A 75 -7.262 4.604 -1.753 1.00 0.00 C ATOM 1153 C GLY A 75 -8.721 4.719 -2.148 1.00 0.00 C ATOM 1154 O GLY A 75 -9.107 4.329 -3.250 1.00 0.00 O ATOM 0 H GLY A 75 -6.884 4.360 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.652 5.168 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.951 3.562 -1.824 1.00 0.00 H new ATOM 1158 N LYS A 76 -9.536 5.254 -1.245 1.00 0.00 N ATOM 1159 CA LYS A 76 -10.962 5.420 -1.503 1.00 0.00 C ATOM 1160 C LYS A 76 -11.649 4.066 -1.646 1.00 0.00 C ATOM 1161 O LYS A 76 -12.284 3.784 -2.664 1.00 0.00 O ATOM 1162 CB LYS A 76 -11.179 6.251 -2.770 1.00 0.00 C ATOM 1163 CG LYS A 76 -12.446 7.088 -2.738 1.00 0.00 C ATOM 1164 CD LYS A 76 -13.027 7.271 -4.130 1.00 0.00 C ATOM 1165 CE LYS A 76 -14.040 6.185 -4.459 1.00 0.00 C ATOM 1166 NZ LYS A 76 -14.728 6.442 -5.754 1.00 0.00 N ATOM 0 H LYS A 76 -9.233 5.580 -0.327 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.402 5.943 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.322 6.909 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.216 5.583 -3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.184 6.609 -2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.228 8.063 -2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.504 8.248 -4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.223 7.255 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.536 5.219 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.780 6.124 -3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.410 5.680 -5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.230 7.352 -5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.025 6.474 -6.520 1.00 0.00 H new ATOM 1180 N THR A 77 -11.521 3.230 -0.620 1.00 0.00 N ATOM 1181 CA THR A 77 -12.130 1.906 -0.632 1.00 0.00 C ATOM 1182 C THR A 77 -12.880 1.634 0.667 1.00 0.00 C ATOM 1183 O THR A 77 -14.089 1.399 0.661 1.00 0.00 O ATOM 1184 CB THR A 77 -11.075 0.804 -0.843 1.00 0.00 C ATOM 1185 OG1 THR A 77 -10.273 1.107 -1.989 1.00 0.00 O ATOM 1186 CG2 THR A 77 -11.738 -0.553 -1.025 1.00 0.00 C ATOM 0 H THR A 77 -11.001 3.447 0.230 1.00 0.00 H new ATOM 0 HA THR A 77 -12.833 1.889 -1.465 1.00 0.00 H new ATOM 0 HB THR A 77 -10.441 0.764 0.043 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.604 0.403 -2.115 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.973 -1.315 -1.172 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.324 -0.794 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.393 -0.524 -1.895 1.00 0.00 H new ATOM 1194 N LEU A 78 -12.157 1.669 1.781 1.00 0.00 N ATOM 1195 CA LEU A 78 -12.754 1.427 3.089 1.00 0.00 C ATOM 1196 C LEU A 78 -13.261 2.727 3.705 1.00 0.00 C ATOM 1197 O LEU A 78 -12.976 3.816 3.207 1.00 0.00 O ATOM 1198 CB LEU A 78 -11.736 0.770 4.023 1.00 0.00 C ATOM 1199 CG LEU A 78 -11.928 -0.726 4.279 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -10.703 -1.312 4.963 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -13.175 -0.968 5.116 1.00 0.00 C ATOM 0 H LEU A 78 -11.156 1.863 1.804 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.602 0.755 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.740 0.922 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.764 1.289 4.981 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.056 -1.226 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.858 -2.377 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.829 -1.172 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.543 -0.808 5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.296 -2.038 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.076 -0.455 6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.048 -0.585 4.588 1.00 0.00 H new ATOM 1213 N THR A 79 -14.013 2.606 4.795 1.00 0.00 N ATOM 1214 CA THR A 79 -14.559 3.770 5.480 1.00 0.00 C ATOM 1215 C THR A 79 -14.099 3.819 6.933 1.00 0.00 C ATOM 1216 O THR A 79 -13.767 2.792 7.524 1.00 0.00 O ATOM 1217 CB THR A 79 -16.099 3.775 5.441 1.00 0.00 C ATOM 1218 OG1 THR A 79 -16.614 2.745 6.292 1.00 0.00 O ATOM 1219 CG2 THR A 79 -16.605 3.567 4.021 1.00 0.00 C ATOM 0 H THR A 79 -14.257 1.713 5.222 1.00 0.00 H new ATOM 0 HA THR A 79 -14.187 4.649 4.954 1.00 0.00 H new ATOM 0 HB THR A 79 -16.446 4.746 5.795 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.594 2.756 6.263 1.00 0.00 H new ATOM 0 HG21 THR A 79 -17.695 3.574 4.018 1.00 0.00 H new ATOM 0 HG22 THR A 79 -16.235 4.369 3.382 1.00 0.00 H new ATOM 0 HG23 THR A 79 -16.248 2.609 3.644 1.00 0.00 H new ATOM 1227 N VAL A 80 -14.083 5.020 7.503 1.00 0.00 N ATOM 1228 CA VAL A 80 -13.665 5.202 8.888 1.00 0.00 C ATOM 1229 C VAL A 80 -14.401 4.241 9.815 1.00 0.00 C ATOM 1230 O VAL A 80 -13.788 3.572 10.646 1.00 0.00 O ATOM 1231 CB VAL A 80 -13.912 6.646 9.363 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -13.687 6.761 10.863 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -13.018 7.616 8.606 1.00 0.00 C ATOM 0 H VAL A 80 -14.354 5.881 7.027 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.596 4.992 8.926 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.950 6.906 9.155 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.866 7.788 11.180 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.373 6.095 11.386 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.660 6.482 11.099 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.206 8.632 8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.973 7.360 8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.233 7.553 7.539 1.00 0.00 H new ATOM 1243 N GLY A 81 -15.720 4.177 9.666 1.00 0.00 N ATOM 1244 CA GLY A 81 -16.518 3.294 10.496 1.00 0.00 C ATOM 1245 C GLY A 81 -16.000 1.869 10.494 1.00 0.00 C ATOM 1246 O GLY A 81 -15.984 1.205 11.530 1.00 0.00 O ATOM 0 H GLY A 81 -16.250 4.721 8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.528 3.672 11.518 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.549 3.303 10.143 1.00 0.00 H new ATOM 1250 N ASP A 82 -15.577 1.398 9.326 1.00 0.00 N ATOM 1251 CA ASP A 82 -15.056 0.042 9.192 1.00 0.00 C ATOM 1252 C ASP A 82 -13.772 -0.129 9.999 1.00 0.00 C ATOM 1253 O ASP A 82 -13.682 -1.001 10.862 1.00 0.00 O ATOM 1254 CB ASP A 82 -14.796 -0.284 7.721 1.00 0.00 C ATOM 1255 CG ASP A 82 -15.626 -1.455 7.232 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -15.226 -2.611 7.483 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -16.675 -1.214 6.599 1.00 0.00 O ATOM 0 H ASP A 82 -15.585 1.935 8.459 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.804 -0.649 9.582 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.017 0.593 7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.738 -0.509 7.583 1.00 0.00 H new ATOM 1262 N ALA A 83 -12.782 0.710 9.710 1.00 0.00 N ATOM 1263 CA ALA A 83 -11.504 0.652 10.410 1.00 0.00 C ATOM 1264 C ALA A 83 -11.689 0.859 11.909 1.00 0.00 C ATOM 1265 O ALA A 83 -10.975 0.269 12.720 1.00 0.00 O ATOM 1266 CB ALA A 83 -10.547 1.691 9.845 1.00 0.00 C ATOM 0 H ALA A 83 -12.840 1.437 8.997 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.078 -0.340 10.258 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.597 1.637 10.376 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.382 1.496 8.785 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.976 2.686 9.968 1.00 0.00 H new ATOM 1272 N LEU A 84 -12.651 1.701 12.271 1.00 0.00 N ATOM 1273 CA LEU A 84 -12.929 1.986 13.674 1.00 0.00 C ATOM 1274 C LEU A 84 -13.491 0.756 14.379 1.00 0.00 C ATOM 1275 O LEU A 84 -13.109 0.444 15.507 1.00 0.00 O ATOM 1276 CB LEU A 84 -13.915 3.151 13.792 1.00 0.00 C ATOM 1277 CG LEU A 84 -13.681 4.112 14.959 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -13.900 3.403 16.286 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -12.280 4.702 14.891 1.00 0.00 C ATOM 0 H LEU A 84 -13.251 2.198 11.613 1.00 0.00 H new ATOM 0 HA LEU A 84 -11.991 2.261 14.156 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.884 3.723 12.865 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -14.921 2.742 13.880 1.00 0.00 H new ATOM 0 HG LEU A 84 -14.400 4.927 14.884 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.729 4.102 17.105 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -14.923 3.030 16.335 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -13.205 2.568 16.371 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -12.131 5.383 15.729 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.544 3.899 14.941 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.160 5.247 13.955 1.00 0.00 H new ATOM 1291 N LYS A 85 -14.400 0.059 13.707 1.00 0.00 N ATOM 1292 CA LYS A 85 -15.014 -1.140 14.266 1.00 0.00 C ATOM 1293 C LYS A 85 -13.978 -2.244 14.453 1.00 0.00 C ATOM 1294 O LYS A 85 -14.031 -2.998 15.424 1.00 0.00 O ATOM 1295 CB LYS A 85 -16.142 -1.633 13.356 1.00 0.00 C ATOM 1296 CG LYS A 85 -16.649 -3.019 13.713 1.00 0.00 C ATOM 1297 CD LYS A 85 -17.880 -3.388 12.902 1.00 0.00 C ATOM 1298 CE LYS A 85 -17.540 -4.368 11.789 1.00 0.00 C ATOM 1299 NZ LYS A 85 -17.069 -5.675 12.325 1.00 0.00 N ATOM 0 H LYS A 85 -14.729 0.304 12.773 1.00 0.00 H new ATOM 0 HA LYS A 85 -15.428 -0.885 15.241 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.972 -0.928 13.405 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -15.789 -1.639 12.325 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.862 -3.752 13.536 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -16.887 -3.058 14.776 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.631 -3.827 13.558 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -18.319 -2.487 12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.419 -4.527 11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.769 -3.938 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.294 -6.430 11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.040 -5.639 12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.543 -5.870 13.230 1.00 0.00 H new ATOM 1313 N GLN A 86 -13.038 -2.332 13.517 1.00 0.00 N ATOM 1314 CA GLN A 86 -11.990 -3.345 13.580 1.00 0.00 C ATOM 1315 C GLN A 86 -10.947 -2.983 14.633 1.00 0.00 C ATOM 1316 O GLN A 86 -10.464 -3.846 15.364 1.00 0.00 O ATOM 1317 CB GLN A 86 -11.321 -3.502 12.214 1.00 0.00 C ATOM 1318 CG GLN A 86 -12.278 -3.925 11.112 1.00 0.00 C ATOM 1319 CD GLN A 86 -11.580 -4.143 9.784 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -10.384 -4.429 9.738 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -12.327 -4.008 8.694 1.00 0.00 N ATOM 0 H GLN A 86 -12.980 -1.715 12.707 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.450 -4.292 13.861 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.856 -2.556 11.936 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.522 -4.239 12.293 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.783 -4.845 11.408 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.048 -3.163 10.992 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.315 -3.770 8.779 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.912 -4.142 7.772 1.00 0.00 H new ATOM 1330 N GLY A 87 -10.604 -1.700 14.703 1.00 0.00 N ATOM 1331 CA GLY A 87 -9.620 -1.248 15.668 1.00 0.00 C ATOM 1332 C GLY A 87 -8.249 -1.053 15.051 1.00 0.00 C ATOM 1333 O GLY A 87 -7.231 -1.363 15.670 1.00 0.00 O ATOM 0 H GLY A 87 -10.990 -0.966 14.109 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.953 -0.309 16.109 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.550 -1.974 16.478 1.00 0.00 H new ATOM 1337 N LYS A 88 -8.222 -0.540 13.826 1.00 0.00 N ATOM 1338 CA LYS A 88 -6.966 -0.304 13.123 1.00 0.00 C ATOM 1339 C LYS A 88 -6.448 1.105 13.391 1.00 0.00 C ATOM 1340 O LYS A 88 -5.239 1.332 13.446 1.00 0.00 O ATOM 1341 CB LYS A 88 -7.153 -0.513 11.618 1.00 0.00 C ATOM 1342 CG LYS A 88 -7.937 -1.767 11.271 1.00 0.00 C ATOM 1343 CD LYS A 88 -7.330 -3.001 11.917 1.00 0.00 C ATOM 1344 CE LYS A 88 -7.309 -4.180 10.957 1.00 0.00 C ATOM 1345 NZ LYS A 88 -6.058 -4.978 11.085 1.00 0.00 N ATOM 0 H LYS A 88 -9.056 -0.280 13.299 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.231 -1.018 13.494 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.666 0.353 11.200 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.174 -0.564 11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.970 -1.654 11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.959 -1.895 10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.314 -2.779 12.244 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.901 -3.265 12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.170 -4.821 11.150 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.405 -3.817 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.083 -5.772 10.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.238 -4.374 10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.979 -5.346 12.054 1.00 0.00 H new ATOM 1359 N ILE A 89 -7.370 2.047 13.557 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.006 3.434 13.821 1.00 0.00 C ATOM 1361 C ILE A 89 -7.106 3.754 15.309 1.00 0.00 C ATOM 1362 O ILE A 89 -8.196 3.762 15.880 1.00 0.00 O ATOM 1363 CB ILE A 89 -7.901 4.411 13.036 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -8.324 3.791 11.703 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -7.175 5.728 12.807 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -9.137 4.723 10.833 1.00 0.00 C ATOM 0 H ILE A 89 -8.375 1.875 13.513 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.974 3.557 13.493 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.797 4.610 13.623 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.433 3.482 11.156 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.906 2.890 11.899 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.821 6.408 12.251 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.920 6.175 13.768 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.263 5.547 12.238 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.401 4.216 9.905 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.046 5.012 11.360 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.550 5.613 10.606 1.00 0.00 H new ATOM 1378 N GLU A 90 -5.960 4.019 15.930 1.00 0.00 N ATOM 1379 CA GLU A 90 -5.920 4.341 17.351 1.00 0.00 C ATOM 1380 C GLU A 90 -5.997 5.849 17.570 1.00 0.00 C ATOM 1381 O GLU A 90 -5.539 6.633 16.737 1.00 0.00 O ATOM 1382 CB GLU A 90 -4.642 3.788 17.986 1.00 0.00 C ATOM 1383 CG GLU A 90 -4.744 2.325 18.384 1.00 0.00 C ATOM 1384 CD GLU A 90 -3.775 1.443 17.622 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -4.136 0.979 16.520 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -2.655 1.217 18.127 1.00 0.00 O ATOM 0 H GLU A 90 -5.049 4.017 15.471 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.784 3.877 17.826 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.816 3.908 17.285 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.399 4.380 18.869 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.553 2.229 19.453 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.762 1.975 18.210 1.00 0.00 H new ATOM 1393 N LEU A 91 -6.580 6.249 18.694 1.00 0.00 N ATOM 1394 CA LEU A 91 -6.719 7.663 19.024 1.00 0.00 C ATOM 1395 C LEU A 91 -5.872 8.025 20.240 1.00 0.00 C ATOM 1396 O LEU A 91 -5.326 7.149 20.911 1.00 0.00 O ATOM 1397 CB LEU A 91 -8.186 8.003 19.290 1.00 0.00 C ATOM 1398 CG LEU A 91 -9.068 6.847 19.762 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -8.600 6.336 21.116 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -10.525 7.281 19.829 1.00 0.00 C ATOM 0 H LEU A 91 -6.965 5.614 19.393 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.366 8.245 18.173 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.225 8.793 20.040 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.615 8.411 18.375 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.984 6.034 19.041 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.240 5.513 21.435 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.571 5.986 21.037 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.653 7.142 21.847 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.138 6.446 20.167 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.626 8.111 20.528 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.856 7.598 18.840 1.00 0.00 H new ATOM 1412 N SER A 92 -5.769 9.320 20.519 1.00 0.00 N ATOM 1413 CA SER A 92 -4.988 9.798 21.653 1.00 0.00 C ATOM 1414 C SER A 92 -5.178 11.299 21.850 1.00 0.00 C ATOM 1415 O SER A 92 -5.401 12.039 20.893 1.00 0.00 O ATOM 1416 CB SER A 92 -3.505 9.483 21.448 1.00 0.00 C ATOM 1417 OG SER A 92 -2.731 9.934 22.545 1.00 0.00 O ATOM 0 H SER A 92 -6.217 10.057 19.975 1.00 0.00 H new ATOM 0 HA SER A 92 -5.341 9.284 22.547 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.372 8.408 21.323 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.153 9.956 20.532 1.00 0.00 H new ATOM 0 HG SER A 92 -1.788 9.719 22.390 1.00 0.00 H new ATOM 1423 N GLY A 93 -5.087 11.742 23.101 1.00 0.00 N ATOM 1424 CA GLY A 93 -5.251 13.152 23.402 1.00 0.00 C ATOM 1425 C GLY A 93 -6.707 13.574 23.430 1.00 0.00 C ATOM 1426 O GLY A 93 -7.490 13.071 24.236 1.00 0.00 O ATOM 0 H GLY A 93 -4.903 11.149 23.911 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.794 13.370 24.368 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.719 13.744 22.657 1.00 0.00 H new ATOM 1430 N ASP A 94 -7.071 14.499 22.548 1.00 0.00 N ATOM 1431 CA ASP A 94 -8.442 14.988 22.475 1.00 0.00 C ATOM 1432 C ASP A 94 -9.323 14.021 21.691 1.00 0.00 C ATOM 1433 O ASP A 94 -9.788 14.337 20.596 1.00 0.00 O ATOM 1434 CB ASP A 94 -8.479 16.372 21.825 1.00 0.00 C ATOM 1435 CG ASP A 94 -8.419 17.492 22.845 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -9.212 18.450 22.722 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -7.581 17.411 23.766 1.00 0.00 O ATOM 0 H ASP A 94 -6.435 14.925 21.874 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.829 15.062 23.491 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.641 16.468 21.134 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.391 16.469 21.236 1.00 0.00 H new ATOM 1442 N ALA A 95 -9.547 12.840 22.258 1.00 0.00 N ATOM 1443 CA ALA A 95 -10.373 11.827 21.612 1.00 0.00 C ATOM 1444 C ALA A 95 -11.647 12.439 21.041 1.00 0.00 C ATOM 1445 O ALA A 95 -12.119 12.035 19.978 1.00 0.00 O ATOM 1446 CB ALA A 95 -10.713 10.717 22.597 1.00 0.00 C ATOM 0 H ALA A 95 -9.168 12.561 23.163 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.804 11.403 20.785 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.330 9.967 22.102 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.794 10.252 22.953 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.259 11.135 23.442 1.00 0.00 H new ATOM 1452 N ASP A 96 -12.200 13.415 21.753 1.00 0.00 N ATOM 1453 CA ASP A 96 -13.420 14.083 21.316 1.00 0.00 C ATOM 1454 C ASP A 96 -13.290 14.564 19.874 1.00 0.00 C ATOM 1455 O ASP A 96 -14.182 14.347 19.053 1.00 0.00 O ATOM 1456 CB ASP A 96 -13.736 15.265 22.234 1.00 0.00 C ATOM 1457 CG ASP A 96 -15.192 15.298 22.656 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -15.694 14.259 23.134 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -15.828 16.361 22.508 1.00 0.00 O ATOM 0 H ASP A 96 -11.823 13.761 22.635 1.00 0.00 H new ATOM 0 HA ASP A 96 -14.237 13.364 21.368 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.105 15.211 23.121 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -13.488 16.195 21.722 1.00 0.00 H new ATOM 1464 N LEU A 97 -12.174 15.218 19.572 1.00 0.00 N ATOM 1465 CA LEU A 97 -11.927 15.731 18.229 1.00 0.00 C ATOM 1466 C LEU A 97 -11.933 14.601 17.205 1.00 0.00 C ATOM 1467 O LEU A 97 -12.595 14.689 16.172 1.00 0.00 O ATOM 1468 CB LEU A 97 -10.589 16.471 18.182 1.00 0.00 C ATOM 1469 CG LEU A 97 -10.666 17.997 18.152 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -10.112 18.586 19.440 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -9.915 18.545 16.947 1.00 0.00 C ATOM 0 H LEU A 97 -11.426 15.406 20.239 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.728 16.427 17.979 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.002 16.174 19.051 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.043 16.137 17.299 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.713 18.287 18.066 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.175 19.673 19.400 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.693 18.220 20.287 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.070 18.287 19.558 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.980 19.633 16.942 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.869 18.245 17.003 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.357 18.150 16.032 1.00 0.00 H new ATOM 1483 N ALA A 98 -11.192 13.538 17.501 1.00 0.00 N ATOM 1484 CA ALA A 98 -11.115 12.388 16.608 1.00 0.00 C ATOM 1485 C ALA A 98 -12.468 11.695 16.488 1.00 0.00 C ATOM 1486 O ALA A 98 -12.769 11.073 15.469 1.00 0.00 O ATOM 1487 CB ALA A 98 -10.060 11.408 17.100 1.00 0.00 C ATOM 0 H ALA A 98 -10.637 13.449 18.352 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.830 12.746 15.619 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.013 10.554 16.424 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.089 11.902 17.128 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.321 11.064 18.101 1.00 0.00 H new ATOM 1493 N ALA A 99 -13.280 11.806 17.534 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.601 11.191 17.544 1.00 0.00 C ATOM 1495 C ALA A 99 -15.464 11.726 16.407 1.00 0.00 C ATOM 1496 O ALA A 99 -16.329 11.022 15.885 1.00 0.00 O ATOM 1497 CB ALA A 99 -15.283 11.429 18.884 1.00 0.00 C ATOM 0 H ALA A 99 -13.046 12.316 18.386 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.477 10.118 17.397 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.269 10.964 18.878 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.681 10.993 19.681 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.388 12.501 19.054 1.00 0.00 H new ATOM 1503 N LYS A 100 -15.225 12.977 16.026 1.00 0.00 N ATOM 1504 CA LYS A 100 -15.980 13.607 14.949 1.00 0.00 C ATOM 1505 C LYS A 100 -15.970 12.737 13.696 1.00 0.00 C ATOM 1506 O LYS A 100 -16.987 12.602 13.014 1.00 0.00 O ATOM 1507 CB LYS A 100 -15.398 14.986 14.630 1.00 0.00 C ATOM 1508 CG LYS A 100 -15.917 16.089 15.535 1.00 0.00 C ATOM 1509 CD LYS A 100 -14.975 16.346 16.700 1.00 0.00 C ATOM 1510 CE LYS A 100 -15.682 17.055 17.844 1.00 0.00 C ATOM 1511 NZ LYS A 100 -15.568 18.536 17.734 1.00 0.00 N ATOM 0 H LYS A 100 -14.514 13.575 16.448 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.012 13.722 15.281 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.312 14.941 14.712 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.629 15.238 13.595 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.042 17.005 14.958 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.901 15.815 15.915 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -14.567 15.400 17.054 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -14.133 16.950 16.362 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.734 16.771 17.852 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -15.256 16.727 18.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.063 18.983 18.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.565 18.809 17.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.997 18.852 16.841 1.00 0.00 H new ATOM 1525 N LEU A 101 -14.817 12.148 13.400 1.00 0.00 N ATOM 1526 CA LEU A 101 -14.675 11.289 12.229 1.00 0.00 C ATOM 1527 C LEU A 101 -15.285 9.915 12.485 1.00 0.00 C ATOM 1528 O LEU A 101 -16.158 9.464 11.743 1.00 0.00 O ATOM 1529 CB LEU A 101 -13.200 11.143 11.855 1.00 0.00 C ATOM 1530 CG LEU A 101 -12.340 12.398 12.011 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -10.903 12.114 11.602 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -12.914 13.543 11.191 1.00 0.00 C ATOM 0 H LEU A 101 -13.967 12.249 13.954 1.00 0.00 H new ATOM 0 HA LEU A 101 -15.209 11.755 11.401 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.767 10.352 12.467 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.140 10.812 10.818 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.346 12.691 13.061 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -10.306 13.018 11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.494 11.325 12.233 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.878 11.795 10.560 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -12.289 14.428 11.314 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.939 13.260 10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -13.926 13.763 11.532 1.00 0.00 H new ATOM 1544 N ALA A 102 -14.822 9.255 13.542 1.00 0.00 N ATOM 1545 CA ALA A 102 -15.325 7.934 13.898 1.00 0.00 C ATOM 1546 C ALA A 102 -16.847 7.931 13.982 1.00 0.00 C ATOM 1547 O ALA A 102 -17.489 6.911 13.732 1.00 0.00 O ATOM 1548 CB ALA A 102 -14.720 7.478 15.218 1.00 0.00 C ATOM 0 H ALA A 102 -14.100 9.614 14.166 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.030 7.236 13.115 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -15.104 6.490 15.472 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.635 7.433 15.125 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -14.987 8.184 16.004 1.00 0.00 H new