USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 588 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 73 ASN : amide:sc= -0.614 K(o=-3.2,f=-6.7) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -2.57 F(o=-7,f=-3.2) USER MOD Single : A 1 SER N :NH3+ -142:sc= 0.00273 (180deg=0) USER MOD Single : A 1 SER OG : rot 40:sc= 0.583 USER MOD Single : A 2 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.231 K(o=-0.23,f=-2.2) USER MOD Single : A 14 GLN : amide:sc= -9.24! C(o=-9.2!,f=-14!) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.116) USER MOD Single : A 19 GLN : amide:sc= -0.155 K(o=-0.15,f=-4.7!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0687 USER MOD Single : A 24 ASN : amide:sc= -2.67 K(o=-2.7,f=-7.2!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.0094) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -175:sc= -0.959 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -170:sc= -1.42 USER MOD Single : A 64 THR OG1 : rot -87:sc= -3.49! USER MOD Single : A 66 GLN : amide:sc= -1.63! C(o=-1.6!,f=-1.8!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -2.43! C(o=-2.4!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.593 -10.728 -14.011 1.00 0.00 N ATOM 2 CA SER A 1 -7.855 -10.882 -12.769 1.00 0.00 C ATOM 3 C SER A 1 -6.395 -10.473 -12.974 1.00 0.00 C ATOM 4 O SER A 1 -5.581 -11.272 -13.433 1.00 0.00 O ATOM 5 CB SER A 1 -7.935 -12.322 -12.256 1.00 0.00 C ATOM 6 OG SER A 1 -7.467 -13.259 -13.222 1.00 0.00 O ATOM 0 H1 SER A 1 -9.549 -10.373 -13.805 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.098 -10.052 -14.627 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.661 -11.648 -14.491 1.00 0.00 H new ATOM 0 HA SER A 1 -8.307 -10.232 -12.020 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.345 -12.416 -11.344 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.967 -12.557 -11.993 1.00 0.00 H new ATOM 0 HG SER A 1 -6.680 -12.894 -13.678 1.00 0.00 H new ATOM 12 N THR A 2 -6.108 -9.228 -12.622 1.00 0.00 N ATOM 13 CA THR A 2 -4.761 -8.702 -12.762 1.00 0.00 C ATOM 14 C THR A 2 -4.250 -8.183 -11.416 1.00 0.00 C ATOM 15 O THR A 2 -5.028 -7.690 -10.601 1.00 0.00 O ATOM 16 CB THR A 2 -4.781 -7.635 -13.858 1.00 0.00 C ATOM 17 OG1 THR A 2 -5.805 -6.734 -13.446 1.00 0.00 O ATOM 18 CG2 THR A 2 -5.280 -8.180 -15.197 1.00 0.00 C ATOM 0 H THR A 2 -6.786 -8.568 -12.240 1.00 0.00 H new ATOM 0 HA THR A 2 -4.060 -9.481 -13.062 1.00 0.00 H new ATOM 0 HB THR A 2 -3.779 -7.226 -13.984 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.885 -6.008 -14.100 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.274 -7.382 -15.939 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.627 -8.988 -15.527 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.295 -8.559 -15.080 1.00 0.00 H new ATOM 26 N ILE A 3 -2.945 -8.311 -11.226 1.00 0.00 N ATOM 27 CA ILE A 3 -2.320 -7.860 -9.994 1.00 0.00 C ATOM 28 C ILE A 3 -2.845 -6.467 -9.641 1.00 0.00 C ATOM 29 O ILE A 3 -3.464 -6.279 -8.595 1.00 0.00 O ATOM 30 CB ILE A 3 -0.796 -7.933 -10.108 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.244 -9.127 -9.327 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.151 -6.616 -9.673 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.408 -8.674 -8.020 1.00 0.00 C ATOM 0 H ILE A 3 -2.303 -8.721 -11.905 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.586 -8.520 -9.168 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.539 -8.088 -11.156 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.050 -9.829 -9.111 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.487 -9.658 -9.937 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.932 -6.694 -9.763 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.511 -5.807 -10.309 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.414 -6.407 -8.636 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.792 -9.542 -7.485 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.229 -7.992 -8.240 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.331 -8.165 -7.402 1.00 0.00 H new ATOM 45 N GLU A 4 -2.579 -5.526 -10.534 1.00 0.00 N ATOM 46 CA GLU A 4 -3.016 -4.155 -10.331 1.00 0.00 C ATOM 47 C GLU A 4 -4.451 -4.129 -9.801 1.00 0.00 C ATOM 48 O GLU A 4 -4.749 -3.421 -8.840 1.00 0.00 O ATOM 49 CB GLU A 4 -2.894 -3.343 -11.621 1.00 0.00 C ATOM 50 CG GLU A 4 -3.812 -2.119 -11.588 1.00 0.00 C ATOM 51 CD GLU A 4 -5.068 -2.354 -12.430 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.992 -2.361 -13.668 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.152 -2.535 -11.754 1.00 0.00 O ATOM 0 H GLU A 4 -2.066 -5.686 -11.401 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.366 -3.694 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.861 -3.023 -11.757 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.149 -3.970 -12.475 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.095 -1.900 -10.559 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.276 -1.247 -11.963 1.00 0.00 H new ATOM 61 N GLU A 5 -5.302 -4.910 -10.450 1.00 0.00 N ATOM 62 CA GLU A 5 -6.699 -4.986 -10.056 1.00 0.00 C ATOM 63 C GLU A 5 -6.823 -4.944 -8.532 1.00 0.00 C ATOM 64 O GLU A 5 -7.662 -4.223 -7.994 1.00 0.00 O ATOM 65 CB GLU A 5 -7.362 -6.241 -10.627 1.00 0.00 C ATOM 66 CG GLU A 5 -7.552 -7.302 -9.541 1.00 0.00 C ATOM 67 CD GLU A 5 -8.201 -8.564 -10.114 1.00 0.00 C ATOM 68 OE1 GLU A 5 -9.100 -8.467 -10.962 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.738 -9.674 -9.650 1.00 0.00 O ATOM 0 H GLU A 5 -5.051 -5.496 -11.246 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.220 -4.122 -10.467 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.328 -5.981 -11.060 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.750 -6.646 -11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.587 -7.553 -9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.173 -6.901 -8.740 1.00 0.00 H new ATOM 77 N ARG A 6 -5.976 -5.726 -7.879 1.00 0.00 N ATOM 78 CA ARG A 6 -5.981 -5.787 -6.428 1.00 0.00 C ATOM 79 C ARG A 6 -5.321 -4.537 -5.841 1.00 0.00 C ATOM 80 O ARG A 6 -5.780 -4.004 -4.832 1.00 0.00 O ATOM 81 CB ARG A 6 -5.240 -7.029 -5.926 1.00 0.00 C ATOM 82 CG ARG A 6 -6.006 -8.305 -6.282 1.00 0.00 C ATOM 83 CD ARG A 6 -5.793 -9.386 -5.221 1.00 0.00 C ATOM 84 NE ARG A 6 -6.900 -10.367 -5.268 1.00 0.00 N ATOM 85 CZ ARG A 6 -7.019 -11.330 -6.207 1.00 0.00 C ATOM 86 NH1 ARG A 6 -6.097 -11.449 -7.186 1.00 0.00 N ATOM 87 NH2 ARG A 6 -8.050 -12.152 -6.153 1.00 0.00 N ATOM 0 H ARG A 6 -5.282 -6.323 -8.329 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.020 -5.841 -6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.243 -7.064 -6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.110 -6.968 -4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.069 -8.082 -6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.675 -8.673 -7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.842 -9.891 -5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.741 -8.931 -4.232 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.618 -10.312 -4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.304 -10.809 -7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.194 -12.179 -7.892 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.742 -12.054 -5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.155 -12.885 -6.854 1.00 0.00 H new ATOM 100 N VAL A 7 -4.255 -4.106 -6.499 1.00 0.00 N ATOM 101 CA VAL A 7 -3.527 -2.929 -6.055 1.00 0.00 C ATOM 102 C VAL A 7 -4.488 -1.741 -5.975 1.00 0.00 C ATOM 103 O VAL A 7 -4.685 -1.169 -4.904 1.00 0.00 O ATOM 104 CB VAL A 7 -2.335 -2.672 -6.979 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.638 -1.358 -6.621 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.351 -3.842 -6.943 1.00 0.00 C ATOM 0 H VAL A 7 -3.878 -4.550 -7.336 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.119 -3.086 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.713 -2.584 -7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.794 -1.199 -7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.343 -0.533 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.279 -1.405 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.513 -3.634 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.982 -3.976 -5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.855 -4.752 -7.269 1.00 0.00 H new ATOM 116 N LYS A 8 -5.061 -1.406 -7.121 1.00 0.00 N ATOM 117 CA LYS A 8 -5.997 -0.297 -7.194 1.00 0.00 C ATOM 118 C LYS A 8 -7.006 -0.410 -6.050 1.00 0.00 C ATOM 119 O LYS A 8 -7.386 0.595 -5.451 1.00 0.00 O ATOM 120 CB LYS A 8 -6.644 -0.231 -8.579 1.00 0.00 C ATOM 121 CG LYS A 8 -6.395 1.128 -9.236 1.00 0.00 C ATOM 122 CD LYS A 8 -5.325 1.024 -10.325 1.00 0.00 C ATOM 123 CE LYS A 8 -5.602 2.009 -11.462 1.00 0.00 C ATOM 124 NZ LYS A 8 -6.333 1.339 -12.561 1.00 0.00 N ATOM 0 H LYS A 8 -4.895 -1.883 -8.007 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.474 0.651 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.242 -1.023 -9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.716 -0.406 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.323 1.502 -9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.081 1.849 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.344 1.225 -9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.299 0.008 -10.718 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.186 2.850 -11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.662 2.415 -11.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.513 2.021 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.762 0.551 -12.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.238 0.973 -12.203 1.00 0.00 H new ATOM 137 N LYS A 9 -7.411 -1.643 -5.780 1.00 0.00 N ATOM 138 CA LYS A 9 -8.368 -1.901 -4.718 1.00 0.00 C ATOM 139 C LYS A 9 -7.776 -1.446 -3.382 1.00 0.00 C ATOM 140 O LYS A 9 -8.298 -0.532 -2.746 1.00 0.00 O ATOM 141 CB LYS A 9 -8.800 -3.368 -4.731 1.00 0.00 C ATOM 142 CG LYS A 9 -10.315 -3.495 -4.554 1.00 0.00 C ATOM 143 CD LYS A 9 -11.004 -3.746 -5.897 1.00 0.00 C ATOM 144 CE LYS A 9 -12.523 -3.820 -5.728 1.00 0.00 C ATOM 145 NZ LYS A 9 -13.150 -4.412 -6.931 1.00 0.00 N ATOM 0 H LYS A 9 -7.093 -2.474 -6.279 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.278 -1.323 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.500 -3.831 -5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.290 -3.908 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.538 -4.313 -3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.710 -2.585 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.751 -2.948 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.637 -4.676 -6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.769 -4.419 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.925 -2.822 -5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.181 -4.455 -6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.931 -3.825 -7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.780 -5.373 -7.079 1.00 0.00 H new ATOM 158 N ILE A 10 -6.693 -2.105 -2.996 1.00 0.00 N ATOM 159 CA ILE A 10 -6.025 -1.781 -1.748 1.00 0.00 C ATOM 160 C ILE A 10 -5.739 -0.278 -1.703 1.00 0.00 C ATOM 161 O ILE A 10 -6.026 0.383 -0.706 1.00 0.00 O ATOM 162 CB ILE A 10 -4.779 -2.649 -1.565 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.144 -4.135 -1.548 1.00 0.00 C ATOM 164 CG2 ILE A 10 -4.000 -2.235 -0.315 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.467 -4.603 -0.127 1.00 0.00 C ATOM 0 H ILE A 10 -6.262 -2.862 -3.526 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.671 -2.009 -0.900 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.122 -2.488 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.002 -4.310 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.317 -4.721 -1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.119 -2.868 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.690 -1.194 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.635 -2.347 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.723 -5.662 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.598 -4.449 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.310 -4.031 0.262 1.00 0.00 H new ATOM 177 N ILE A 11 -5.176 0.217 -2.796 1.00 0.00 N ATOM 178 CA ILE A 11 -4.848 1.630 -2.894 1.00 0.00 C ATOM 179 C ILE A 11 -6.028 2.459 -2.383 1.00 0.00 C ATOM 180 O ILE A 11 -5.835 3.470 -1.709 1.00 0.00 O ATOM 181 CB ILE A 11 -4.421 1.982 -4.320 1.00 0.00 C ATOM 182 CG1 ILE A 11 -3.157 1.217 -4.719 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.250 3.494 -4.483 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.899 1.993 -4.325 1.00 0.00 C ATOM 0 H ILE A 11 -4.939 -0.334 -3.621 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.993 1.868 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.214 1.671 -5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.152 0.240 -4.237 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.158 1.041 -5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.946 3.718 -5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.195 3.992 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.487 3.850 -3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.015 1.427 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.895 2.960 -4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.889 2.146 -3.246 1.00 0.00 H new ATOM 196 N GLY A 12 -7.224 2.001 -2.722 1.00 0.00 N ATOM 197 CA GLY A 12 -8.434 2.689 -2.306 1.00 0.00 C ATOM 198 C GLY A 12 -8.634 2.581 -0.793 1.00 0.00 C ATOM 199 O GLY A 12 -9.121 3.516 -0.159 1.00 0.00 O ATOM 0 H GLY A 12 -7.381 1.162 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.377 3.739 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.295 2.263 -2.821 1.00 0.00 H new ATOM 203 N GLN A 13 -8.246 1.432 -0.258 1.00 0.00 N ATOM 204 CA GLN A 13 -8.376 1.190 1.169 1.00 0.00 C ATOM 205 C GLN A 13 -7.245 1.885 1.930 1.00 0.00 C ATOM 206 O GLN A 13 -7.343 2.096 3.138 1.00 0.00 O ATOM 207 CB GLN A 13 -8.400 -0.310 1.471 1.00 0.00 C ATOM 208 CG GLN A 13 -9.816 -0.777 1.813 1.00 0.00 C ATOM 209 CD GLN A 13 -10.768 -0.548 0.637 1.00 0.00 C ATOM 210 OE1 GLN A 13 -10.363 -0.408 -0.505 1.00 0.00 O ATOM 211 NE2 GLN A 13 -12.053 -0.518 0.979 1.00 0.00 N ATOM 0 H GLN A 13 -7.842 0.659 -0.787 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.325 1.609 1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.029 -0.864 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.730 -0.528 2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.801 -1.836 2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.179 -0.239 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.324 -0.642 1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.767 -0.371 0.266 1.00 0.00 H new ATOM 220 N GLN A 14 -6.196 2.220 1.193 1.00 0.00 N ATOM 221 CA GLN A 14 -5.048 2.886 1.783 1.00 0.00 C ATOM 222 C GLN A 14 -5.411 4.318 2.180 1.00 0.00 C ATOM 223 O GLN A 14 -4.905 4.838 3.173 1.00 0.00 O ATOM 224 CB GLN A 14 -3.853 2.868 0.828 1.00 0.00 C ATOM 225 CG GLN A 14 -2.856 3.975 1.176 1.00 0.00 C ATOM 226 CD GLN A 14 -1.415 3.488 1.009 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.061 2.380 1.376 1.00 0.00 O ATOM 228 NE2 GLN A 14 -0.607 4.376 0.437 1.00 0.00 N ATOM 0 H GLN A 14 -6.117 2.042 0.192 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.760 2.342 2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.357 1.898 0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.200 2.996 -0.197 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.028 4.839 0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.016 4.304 2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.969 5.286 0.153 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.375 4.147 0.282 1.00 0.00 H new ATOM 237 N LEU A 15 -6.286 4.915 1.384 1.00 0.00 N ATOM 238 CA LEU A 15 -6.722 6.277 1.640 1.00 0.00 C ATOM 239 C LEU A 15 -8.252 6.328 1.631 1.00 0.00 C ATOM 240 O LEU A 15 -8.872 6.620 2.651 1.00 0.00 O ATOM 241 CB LEU A 15 -6.069 7.244 0.650 1.00 0.00 C ATOM 242 CG LEU A 15 -6.136 6.842 -0.824 1.00 0.00 C ATOM 243 CD1 LEU A 15 -7.199 7.654 -1.567 1.00 0.00 C ATOM 244 CD2 LEU A 15 -4.761 6.955 -1.487 1.00 0.00 C ATOM 0 H LEU A 15 -6.705 4.480 0.562 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.397 6.602 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.541 8.220 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.021 7.363 0.926 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.435 5.795 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.225 7.348 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.174 7.479 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.956 8.715 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.837 6.663 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.409 7.985 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.056 6.298 -0.978 1.00 0.00 H new ATOM 256 N GLY A 16 -8.815 6.039 0.467 1.00 0.00 N ATOM 257 CA GLY A 16 -10.259 6.048 0.311 1.00 0.00 C ATOM 258 C GLY A 16 -10.669 6.786 -0.965 1.00 0.00 C ATOM 259 O GLY A 16 -11.058 7.952 -0.915 1.00 0.00 O ATOM 0 H GLY A 16 -8.297 5.797 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.631 5.024 0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.719 6.527 1.176 1.00 0.00 H new ATOM 263 N VAL A 17 -10.567 6.076 -2.079 1.00 0.00 N ATOM 264 CA VAL A 17 -10.922 6.649 -3.366 1.00 0.00 C ATOM 265 C VAL A 17 -11.302 5.525 -4.332 1.00 0.00 C ATOM 266 O VAL A 17 -11.180 4.347 -3.999 1.00 0.00 O ATOM 267 CB VAL A 17 -9.777 7.521 -3.885 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.535 6.676 -4.179 1.00 0.00 C ATOM 269 CG2 VAL A 17 -10.207 8.313 -5.121 1.00 0.00 C ATOM 0 H VAL A 17 -10.244 5.109 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.790 7.301 -3.267 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.519 8.236 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.736 7.320 -4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.209 6.178 -3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.775 5.928 -4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.374 8.924 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.505 7.623 -5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.048 8.957 -4.866 1.00 0.00 H new ATOM 279 N LYS A 18 -11.757 5.928 -5.510 1.00 0.00 N ATOM 280 CA LYS A 18 -12.156 4.970 -6.526 1.00 0.00 C ATOM 281 C LYS A 18 -10.908 4.416 -7.217 1.00 0.00 C ATOM 282 O LYS A 18 -9.884 4.194 -6.573 1.00 0.00 O ATOM 283 CB LYS A 18 -13.164 5.599 -7.490 1.00 0.00 C ATOM 284 CG LYS A 18 -14.140 4.549 -8.025 1.00 0.00 C ATOM 285 CD LYS A 18 -15.469 4.600 -7.269 1.00 0.00 C ATOM 286 CE LYS A 18 -16.537 3.766 -7.980 1.00 0.00 C ATOM 287 NZ LYS A 18 -17.012 4.461 -9.197 1.00 0.00 N ATOM 0 H LYS A 18 -11.858 6.906 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.671 4.124 -6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.717 6.388 -6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.635 6.066 -8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.315 4.718 -9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.701 3.556 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.328 4.228 -6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.805 5.634 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.128 2.792 -8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.375 3.586 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.868 3.990 -9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.232 5.451 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.271 4.431 -9.926 1.00 0.00 H new ATOM 300 N GLN A 19 -11.034 4.210 -8.520 1.00 0.00 N ATOM 301 CA GLN A 19 -9.929 3.687 -9.306 1.00 0.00 C ATOM 302 C GLN A 19 -9.481 4.718 -10.344 1.00 0.00 C ATOM 303 O GLN A 19 -8.285 4.916 -10.550 1.00 0.00 O ATOM 304 CB GLN A 19 -10.310 2.365 -9.975 1.00 0.00 C ATOM 305 CG GLN A 19 -10.054 1.182 -9.038 1.00 0.00 C ATOM 306 CD GLN A 19 -11.328 0.796 -8.283 1.00 0.00 C ATOM 307 OE1 GLN A 19 -12.180 1.618 -7.989 1.00 0.00 O ATOM 308 NE2 GLN A 19 -11.409 -0.498 -7.986 1.00 0.00 N ATOM 0 H GLN A 19 -11.885 4.396 -9.051 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.093 3.489 -8.635 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.362 2.387 -10.259 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.735 2.238 -10.892 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.695 0.329 -9.613 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.269 1.440 -8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.660 -1.132 -8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.221 -0.856 -7.482 1.00 0.00 H new ATOM 317 N GLU A 20 -10.466 5.346 -10.969 1.00 0.00 N ATOM 318 CA GLU A 20 -10.187 6.352 -11.981 1.00 0.00 C ATOM 319 C GLU A 20 -9.645 7.625 -11.329 1.00 0.00 C ATOM 320 O GLU A 20 -9.032 8.456 -11.997 1.00 0.00 O ATOM 321 CB GLU A 20 -11.435 6.651 -12.814 1.00 0.00 C ATOM 322 CG GLU A 20 -12.538 7.265 -11.949 1.00 0.00 C ATOM 323 CD GLU A 20 -13.699 7.762 -12.812 1.00 0.00 C ATOM 324 OE1 GLU A 20 -14.653 7.010 -13.061 1.00 0.00 O ATOM 325 OE2 GLU A 20 -13.587 8.977 -13.229 1.00 0.00 O ATOM 0 H GLU A 20 -11.457 5.178 -10.795 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.425 5.960 -12.655 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.181 7.334 -13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.798 5.732 -13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.901 6.524 -11.237 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.131 8.093 -11.369 1.00 0.00 H new ATOM 333 N GLU A 21 -9.891 7.738 -10.031 1.00 0.00 N ATOM 334 CA GLU A 21 -9.435 8.896 -9.282 1.00 0.00 C ATOM 335 C GLU A 21 -7.968 8.726 -8.883 1.00 0.00 C ATOM 336 O GLU A 21 -7.318 9.685 -8.468 1.00 0.00 O ATOM 337 CB GLU A 21 -10.314 9.134 -8.052 1.00 0.00 C ATOM 338 CG GLU A 21 -11.339 10.238 -8.316 1.00 0.00 C ATOM 339 CD GLU A 21 -12.756 9.759 -7.994 1.00 0.00 C ATOM 340 OE1 GLU A 21 -13.206 9.881 -6.845 1.00 0.00 O ATOM 341 OE2 GLU A 21 -13.396 9.245 -8.989 1.00 0.00 O ATOM 0 H GLU A 21 -10.400 7.047 -9.480 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.517 9.774 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.829 8.211 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.689 9.408 -7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.101 11.113 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.284 10.548 -9.360 1.00 0.00 H new ATOM 349 N VAL A 22 -7.488 7.499 -9.022 1.00 0.00 N ATOM 350 CA VAL A 22 -6.110 7.191 -8.681 1.00 0.00 C ATOM 351 C VAL A 22 -5.528 6.244 -9.733 1.00 0.00 C ATOM 352 O VAL A 22 -4.850 5.275 -9.394 1.00 0.00 O ATOM 353 CB VAL A 22 -6.035 6.626 -7.261 1.00 0.00 C ATOM 354 CG1 VAL A 22 -4.631 6.102 -6.952 1.00 0.00 C ATOM 355 CG2 VAL A 22 -6.469 7.671 -6.232 1.00 0.00 C ATOM 0 H VAL A 22 -8.029 6.706 -9.366 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.504 8.097 -8.688 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.727 5.786 -7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.606 5.706 -5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.375 5.311 -7.656 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.911 6.915 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.406 7.244 -5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.814 8.540 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.496 7.975 -6.433 1.00 0.00 H new ATOM 365 N THR A 23 -5.815 6.557 -10.988 1.00 0.00 N ATOM 366 CA THR A 23 -5.329 5.746 -12.091 1.00 0.00 C ATOM 367 C THR A 23 -3.859 5.379 -11.876 1.00 0.00 C ATOM 368 O THR A 23 -3.201 5.929 -10.995 1.00 0.00 O ATOM 369 CB THR A 23 -5.580 6.515 -13.390 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.372 7.878 -13.031 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.045 6.463 -13.827 1.00 0.00 C ATOM 0 H THR A 23 -6.378 7.361 -11.265 1.00 0.00 H new ATOM 0 HA THR A 23 -5.863 4.797 -12.150 1.00 0.00 H new ATOM 0 HB THR A 23 -4.951 6.107 -14.181 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.513 8.448 -13.816 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.168 7.024 -14.753 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.340 5.426 -13.989 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.672 6.902 -13.051 1.00 0.00 H new ATOM 379 N ASN A 24 -3.388 4.452 -12.697 1.00 0.00 N ATOM 380 CA ASN A 24 -2.008 4.005 -12.608 1.00 0.00 C ATOM 381 C ASN A 24 -1.077 5.159 -12.986 1.00 0.00 C ATOM 382 O ASN A 24 -0.504 5.168 -14.074 1.00 0.00 O ATOM 383 CB ASN A 24 -1.741 2.847 -13.572 1.00 0.00 C ATOM 384 CG ASN A 24 -2.623 1.642 -13.239 1.00 0.00 C ATOM 385 OD1 ASN A 24 -2.802 1.269 -12.091 1.00 0.00 O ATOM 386 ND2 ASN A 24 -3.162 1.056 -14.304 1.00 0.00 N ATOM 0 H ASN A 24 -3.937 3.998 -13.427 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.826 3.673 -11.586 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.932 3.170 -14.596 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.691 2.559 -13.519 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.767 0.243 -14.187 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.971 1.420 -15.238 1.00 0.00 H new ATOM 393 N ASN A 25 -0.956 6.104 -12.066 1.00 0.00 N ATOM 394 CA ASN A 25 -0.105 7.261 -12.288 1.00 0.00 C ATOM 395 C ASN A 25 -0.302 8.261 -11.148 1.00 0.00 C ATOM 396 O ASN A 25 0.627 8.977 -10.778 1.00 0.00 O ATOM 397 CB ASN A 25 -0.461 7.962 -13.600 1.00 0.00 C ATOM 398 CG ASN A 25 0.797 8.280 -14.411 1.00 0.00 C ATOM 399 OD1 ASN A 25 1.534 7.404 -14.832 1.00 0.00 O ATOM 400 ND2 ASN A 25 1.000 9.580 -14.607 1.00 0.00 N ATOM 0 H ASN A 25 -1.433 6.092 -11.165 1.00 0.00 H new ATOM 0 HA ASN A 25 0.928 6.916 -12.332 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.125 7.328 -14.187 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.004 8.883 -13.389 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.812 9.895 -15.137 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.343 10.262 -14.227 1.00 0.00 H new ATOM 407 N ALA A 26 -1.519 8.279 -10.623 1.00 0.00 N ATOM 408 CA ALA A 26 -1.850 9.180 -9.533 1.00 0.00 C ATOM 409 C ALA A 26 -0.643 9.312 -8.601 1.00 0.00 C ATOM 410 O ALA A 26 -0.043 8.312 -8.212 1.00 0.00 O ATOM 411 CB ALA A 26 -3.094 8.666 -8.805 1.00 0.00 C ATOM 0 H ALA A 26 -2.287 7.684 -10.933 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.083 10.174 -9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.342 9.342 -7.987 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.930 8.618 -9.503 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.897 7.671 -8.406 1.00 0.00 H new ATOM 417 N SER A 27 -0.324 10.555 -8.271 1.00 0.00 N ATOM 418 CA SER A 27 0.801 10.831 -7.393 1.00 0.00 C ATOM 419 C SER A 27 0.363 10.718 -5.931 1.00 0.00 C ATOM 420 O SER A 27 -0.743 10.261 -5.644 1.00 0.00 O ATOM 421 CB SER A 27 1.385 12.218 -7.666 1.00 0.00 C ATOM 422 OG SER A 27 2.663 12.145 -8.294 1.00 0.00 O ATOM 0 H SER A 27 -0.825 11.382 -8.596 1.00 0.00 H new ATOM 0 HA SER A 27 1.579 10.094 -7.591 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.701 12.781 -8.301 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.473 12.766 -6.728 1.00 0.00 H new ATOM 0 HG SER A 27 3.001 13.051 -8.453 1.00 0.00 H new ATOM 428 N PHE A 28 1.253 11.142 -5.046 1.00 0.00 N ATOM 429 CA PHE A 28 0.972 11.094 -3.621 1.00 0.00 C ATOM 430 C PHE A 28 1.153 12.471 -2.980 1.00 0.00 C ATOM 431 O PHE A 28 0.219 13.013 -2.391 1.00 0.00 O ATOM 432 CB PHE A 28 1.976 10.119 -3.000 1.00 0.00 C ATOM 433 CG PHE A 28 1.420 8.711 -2.779 1.00 0.00 C ATOM 434 CD1 PHE A 28 1.161 7.907 -3.844 1.00 0.00 C ATOM 435 CD2 PHE A 28 1.186 8.263 -1.516 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.645 6.600 -3.639 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.670 6.956 -1.311 1.00 0.00 C ATOM 438 CZ PHE A 28 0.411 6.152 -2.376 1.00 0.00 C ATOM 0 H PHE A 28 2.169 11.520 -5.288 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.058 10.778 -3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.852 10.056 -3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.313 10.520 -2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.348 8.262 -4.847 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.393 8.901 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.438 5.962 -4.485 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.483 6.601 -0.308 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.020 5.158 -2.219 1.00 0.00 H new ATOM 448 N VAL A 29 2.361 12.998 -3.116 1.00 0.00 N ATOM 449 CA VAL A 29 2.677 14.301 -2.558 1.00 0.00 C ATOM 450 C VAL A 29 2.011 15.388 -3.404 1.00 0.00 C ATOM 451 O VAL A 29 1.817 16.510 -2.939 1.00 0.00 O ATOM 452 CB VAL A 29 4.193 14.472 -2.450 1.00 0.00 C ATOM 453 CG1 VAL A 29 4.549 15.750 -1.688 1.00 0.00 C ATOM 454 CG2 VAL A 29 4.838 13.247 -1.798 1.00 0.00 C ATOM 0 H VAL A 29 3.133 12.545 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 29 2.282 14.389 -1.546 1.00 0.00 H new ATOM 0 HB VAL A 29 4.592 14.563 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.633 15.847 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.137 16.613 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.131 15.703 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.916 13.395 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.430 13.110 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.628 12.362 -2.399 1.00 0.00 H new ATOM 464 N GLU A 30 1.681 15.018 -4.633 1.00 0.00 N ATOM 465 CA GLU A 30 1.042 15.948 -5.548 1.00 0.00 C ATOM 466 C GLU A 30 -0.467 15.699 -5.589 1.00 0.00 C ATOM 467 O GLU A 30 -1.227 16.545 -6.059 1.00 0.00 O ATOM 468 CB GLU A 30 1.653 15.846 -6.947 1.00 0.00 C ATOM 469 CG GLU A 30 2.537 17.058 -7.249 1.00 0.00 C ATOM 470 CD GLU A 30 1.915 17.934 -8.338 1.00 0.00 C ATOM 471 OE1 GLU A 30 1.046 18.767 -8.042 1.00 0.00 O ATOM 472 OE2 GLU A 30 2.366 17.726 -9.528 1.00 0.00 O ATOM 0 H GLU A 30 1.844 14.087 -5.016 1.00 0.00 H new ATOM 0 HA GLU A 30 1.213 16.961 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.243 14.933 -7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.859 15.776 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.677 17.645 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.524 16.722 -7.567 1.00 0.00 H new ATOM 480 N ASP A 31 -0.857 14.535 -5.091 1.00 0.00 N ATOM 481 CA ASP A 31 -2.261 14.164 -5.065 1.00 0.00 C ATOM 482 C ASP A 31 -2.768 14.204 -3.622 1.00 0.00 C ATOM 483 O ASP A 31 -3.494 15.120 -3.240 1.00 0.00 O ATOM 484 CB ASP A 31 -2.467 12.745 -5.600 1.00 0.00 C ATOM 485 CG ASP A 31 -3.891 12.204 -5.466 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.872 12.909 -5.747 1.00 0.00 O ATOM 487 OD2 ASP A 31 -3.974 10.986 -5.047 1.00 0.00 O ATOM 0 H ASP A 31 -0.224 13.836 -4.702 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.807 14.868 -5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.184 12.725 -6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.788 12.073 -5.075 1.00 0.00 H new ATOM 493 N LEU A 32 -2.365 13.198 -2.860 1.00 0.00 N ATOM 494 CA LEU A 32 -2.770 13.106 -1.467 1.00 0.00 C ATOM 495 C LEU A 32 -1.715 13.782 -0.589 1.00 0.00 C ATOM 496 O LEU A 32 -1.534 13.409 0.569 1.00 0.00 O ATOM 497 CB LEU A 32 -3.047 11.651 -1.084 1.00 0.00 C ATOM 498 CG LEU A 32 -4.500 11.189 -1.211 1.00 0.00 C ATOM 499 CD1 LEU A 32 -4.689 9.799 -0.600 1.00 0.00 C ATOM 500 CD2 LEU A 32 -5.457 12.217 -0.605 1.00 0.00 C ATOM 0 H LEU A 32 -1.763 12.440 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.708 13.638 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.426 11.007 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.727 11.500 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.742 11.110 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.730 9.495 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.049 9.084 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.423 9.827 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.483 11.864 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.225 12.352 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.346 13.168 -1.125 1.00 0.00 H new ATOM 512 N GLY A 33 -1.047 14.766 -1.173 1.00 0.00 N ATOM 513 CA GLY A 33 -0.015 15.498 -0.458 1.00 0.00 C ATOM 514 C GLY A 33 0.800 14.563 0.437 1.00 0.00 C ATOM 515 O GLY A 33 1.324 14.984 1.467 1.00 0.00 O ATOM 0 H GLY A 33 -1.200 15.074 -2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.645 15.992 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.472 16.280 0.148 1.00 0.00 H new ATOM 519 N ALA A 34 0.883 13.311 0.011 1.00 0.00 N ATOM 520 CA ALA A 34 1.626 12.312 0.760 1.00 0.00 C ATOM 521 C ALA A 34 1.162 12.326 2.218 1.00 0.00 C ATOM 522 O ALA A 34 1.610 13.157 3.008 1.00 0.00 O ATOM 523 CB ALA A 34 3.126 12.582 0.623 1.00 0.00 C ATOM 0 H ALA A 34 0.447 12.966 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 34 1.437 11.315 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.683 11.833 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.410 12.533 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.355 13.573 1.015 1.00 0.00 H new ATOM 529 N ASP A 35 0.272 11.397 2.531 1.00 0.00 N ATOM 530 CA ASP A 35 -0.257 11.291 3.881 1.00 0.00 C ATOM 531 C ASP A 35 0.446 10.146 4.612 1.00 0.00 C ATOM 532 O ASP A 35 1.032 9.269 3.980 1.00 0.00 O ATOM 533 CB ASP A 35 -1.757 10.990 3.862 1.00 0.00 C ATOM 534 CG ASP A 35 -2.547 11.563 5.041 1.00 0.00 C ATOM 535 OD1 ASP A 35 -1.974 12.165 5.961 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.821 11.368 4.990 1.00 0.00 O ATOM 0 H ASP A 35 -0.097 10.710 1.873 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.086 12.242 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.179 11.382 2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.895 9.909 3.843 1.00 0.00 H new ATOM 542 N SER A 36 0.366 10.193 5.934 1.00 0.00 N ATOM 543 CA SER A 36 0.988 9.170 6.757 1.00 0.00 C ATOM 544 C SER A 36 0.302 7.823 6.525 1.00 0.00 C ATOM 545 O SER A 36 0.945 6.857 6.115 1.00 0.00 O ATOM 546 CB SER A 36 0.930 9.547 8.239 1.00 0.00 C ATOM 547 OG SER A 36 2.231 9.681 8.807 1.00 0.00 O ATOM 0 H SER A 36 -0.120 10.923 6.455 1.00 0.00 H new ATOM 0 HA SER A 36 2.037 9.090 6.470 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.386 10.485 8.354 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.372 8.786 8.785 1.00 0.00 H new ATOM 0 HG SER A 36 2.151 9.924 9.753 1.00 0.00 H new ATOM 553 N LEU A 37 -0.995 7.800 6.798 1.00 0.00 N ATOM 554 CA LEU A 37 -1.775 6.586 6.623 1.00 0.00 C ATOM 555 C LEU A 37 -1.470 5.982 5.251 1.00 0.00 C ATOM 556 O LEU A 37 -1.551 4.768 5.072 1.00 0.00 O ATOM 557 CB LEU A 37 -3.261 6.867 6.856 1.00 0.00 C ATOM 558 CG LEU A 37 -3.620 7.513 8.195 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.110 7.856 8.257 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.187 6.626 9.365 1.00 0.00 C ATOM 0 H LEU A 37 -1.525 8.602 7.139 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.494 5.841 7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.618 7.515 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.806 5.927 6.771 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.070 8.450 8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.338 8.314 9.219 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.357 8.553 7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.698 6.946 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.454 7.108 10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.690 5.662 9.296 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.108 6.476 9.328 1.00 0.00 H new ATOM 572 N ASP A 38 -1.126 6.857 4.318 1.00 0.00 N ATOM 573 CA ASP A 38 -0.809 6.425 2.967 1.00 0.00 C ATOM 574 C ASP A 38 0.533 5.689 2.974 1.00 0.00 C ATOM 575 O ASP A 38 0.602 4.514 2.618 1.00 0.00 O ATOM 576 CB ASP A 38 -0.688 7.620 2.020 1.00 0.00 C ATOM 577 CG ASP A 38 -1.843 7.779 1.028 1.00 0.00 C ATOM 578 OD1 ASP A 38 -2.990 8.039 1.420 1.00 0.00 O ATOM 579 OD2 ASP A 38 -1.522 7.621 -0.211 1.00 0.00 O ATOM 0 H ASP A 38 -1.060 7.863 4.471 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.613 5.774 2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.612 8.530 2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.242 7.528 1.460 1.00 0.00 H new ATOM 585 N THR A 39 1.565 6.412 3.382 1.00 0.00 N ATOM 586 CA THR A 39 2.901 5.843 3.439 1.00 0.00 C ATOM 587 C THR A 39 2.952 4.704 4.460 1.00 0.00 C ATOM 588 O THR A 39 3.852 3.867 4.417 1.00 0.00 O ATOM 589 CB THR A 39 3.885 6.975 3.742 1.00 0.00 C ATOM 590 OG1 THR A 39 3.849 7.788 2.572 1.00 0.00 O ATOM 591 CG2 THR A 39 5.333 6.488 3.814 1.00 0.00 C ATOM 0 H THR A 39 1.503 7.387 3.676 1.00 0.00 H new ATOM 0 HA THR A 39 3.182 5.396 2.485 1.00 0.00 H new ATOM 0 HB THR A 39 3.615 7.449 4.686 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.458 8.548 2.683 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.990 7.330 4.031 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.427 5.742 4.603 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.616 6.044 2.859 1.00 0.00 H new ATOM 599 N VAL A 40 1.975 4.710 5.355 1.00 0.00 N ATOM 600 CA VAL A 40 1.897 3.688 6.385 1.00 0.00 C ATOM 601 C VAL A 40 1.088 2.501 5.859 1.00 0.00 C ATOM 602 O VAL A 40 1.456 1.348 6.079 1.00 0.00 O ATOM 603 CB VAL A 40 1.320 4.284 7.670 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.095 3.198 8.725 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.219 5.396 8.212 1.00 0.00 C ATOM 0 H VAL A 40 1.231 5.407 5.388 1.00 0.00 H new ATOM 0 HA VAL A 40 2.892 3.318 6.633 1.00 0.00 H new ATOM 0 HB VAL A 40 0.352 4.724 7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.684 3.648 9.629 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.396 2.456 8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.044 2.716 8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.785 5.802 9.126 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.208 4.991 8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.306 6.188 7.469 1.00 0.00 H new ATOM 615 N GLU A 41 0.000 2.824 5.175 1.00 0.00 N ATOM 616 CA GLU A 41 -0.864 1.798 4.616 1.00 0.00 C ATOM 617 C GLU A 41 -0.102 0.966 3.583 1.00 0.00 C ATOM 618 O GLU A 41 -0.456 -0.182 3.322 1.00 0.00 O ATOM 619 CB GLU A 41 -2.122 2.416 4.003 1.00 0.00 C ATOM 620 CG GLU A 41 -3.163 2.724 5.081 1.00 0.00 C ATOM 621 CD GLU A 41 -4.365 1.784 4.967 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.516 2.233 5.074 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.070 0.545 4.758 1.00 0.00 O ATOM 0 H GLU A 41 -0.303 3.781 4.995 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.180 1.137 5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.860 3.332 3.473 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.546 1.732 3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.711 2.624 6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.495 3.758 4.986 1.00 0.00 H new ATOM 631 N LEU A 42 0.931 1.579 3.023 1.00 0.00 N ATOM 632 CA LEU A 42 1.746 0.909 2.024 1.00 0.00 C ATOM 633 C LEU A 42 2.693 -0.072 2.719 1.00 0.00 C ATOM 634 O LEU A 42 3.135 -1.048 2.114 1.00 0.00 O ATOM 635 CB LEU A 42 2.462 1.934 1.142 1.00 0.00 C ATOM 636 CG LEU A 42 2.412 1.673 -0.365 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.223 2.389 -1.006 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.737 2.052 -1.031 1.00 0.00 C ATOM 0 H LEU A 42 1.222 2.532 3.242 1.00 0.00 H new ATOM 0 HA LEU A 42 1.119 0.325 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.029 2.916 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.507 1.980 1.448 1.00 0.00 H new ATOM 0 HG LEU A 42 2.267 0.604 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.211 2.187 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.297 2.029 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.312 3.463 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.675 1.857 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.937 3.111 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.544 1.459 -0.600 1.00 0.00 H new ATOM 650 N VAL A 43 2.976 0.220 3.980 1.00 0.00 N ATOM 651 CA VAL A 43 3.861 -0.624 4.763 1.00 0.00 C ATOM 652 C VAL A 43 3.057 -1.777 5.368 1.00 0.00 C ATOM 653 O VAL A 43 3.609 -2.836 5.662 1.00 0.00 O ATOM 654 CB VAL A 43 4.588 0.215 5.816 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.727 -0.579 6.459 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.104 1.523 5.214 1.00 0.00 C ATOM 0 H VAL A 43 2.608 1.030 4.479 1.00 0.00 H new ATOM 0 HA VAL A 43 4.631 -1.063 4.128 1.00 0.00 H new ATOM 0 HB VAL A 43 3.871 0.466 6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.227 0.040 7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.323 -1.470 6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.443 -0.874 5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.617 2.100 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.798 1.302 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.265 2.101 4.825 1.00 0.00 H new ATOM 666 N MET A 44 1.766 -1.531 5.536 1.00 0.00 N ATOM 667 CA MET A 44 0.881 -2.536 6.100 1.00 0.00 C ATOM 668 C MET A 44 0.163 -3.316 4.997 1.00 0.00 C ATOM 669 O MET A 44 0.004 -4.532 5.095 1.00 0.00 O ATOM 670 CB MET A 44 -0.153 -1.857 7.001 1.00 0.00 C ATOM 671 CG MET A 44 0.518 -1.206 8.212 1.00 0.00 C ATOM 672 SD MET A 44 -0.683 -0.939 9.505 1.00 0.00 S ATOM 673 CE MET A 44 -0.651 -2.540 10.293 1.00 0.00 C ATOM 0 H MET A 44 1.312 -0.651 5.292 1.00 0.00 H new ATOM 0 HA MET A 44 1.481 -3.236 6.682 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.696 -1.102 6.432 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.885 -2.591 7.337 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.323 -1.843 8.578 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.969 -0.257 7.922 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.350 -2.548 11.130 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.939 -3.306 9.573 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.355 -2.745 10.659 1.00 0.00 H new ATOM 683 N ALA A 45 -0.251 -2.585 3.973 1.00 0.00 N ATOM 684 CA ALA A 45 -0.948 -3.194 2.853 1.00 0.00 C ATOM 685 C ALA A 45 -0.048 -4.251 2.211 1.00 0.00 C ATOM 686 O ALA A 45 -0.471 -5.387 1.999 1.00 0.00 O ATOM 687 CB ALA A 45 -1.368 -2.107 1.861 1.00 0.00 C ATOM 0 H ALA A 45 -0.117 -1.577 3.895 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.855 -3.695 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.891 -2.564 1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.030 -1.397 2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.483 -1.585 1.497 1.00 0.00 H new ATOM 693 N LEU A 46 1.178 -3.841 1.921 1.00 0.00 N ATOM 694 CA LEU A 46 2.142 -4.740 1.308 1.00 0.00 C ATOM 695 C LEU A 46 2.501 -5.849 2.298 1.00 0.00 C ATOM 696 O LEU A 46 2.809 -6.970 1.896 1.00 0.00 O ATOM 697 CB LEU A 46 3.353 -3.957 0.796 1.00 0.00 C ATOM 698 CG LEU A 46 3.067 -2.901 -0.274 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.316 -2.070 -0.572 1.00 0.00 C ATOM 700 CD2 LEU A 46 2.489 -3.542 -1.537 1.00 0.00 C ATOM 0 H LEU A 46 1.526 -2.899 2.099 1.00 0.00 H new ATOM 0 HA LEU A 46 1.709 -5.223 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.828 -3.466 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.076 -4.667 0.393 1.00 0.00 H new ATOM 0 HG LEU A 46 2.311 -2.218 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.085 -1.327 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.643 -1.566 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.111 -2.724 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.295 -2.769 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.202 -4.262 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.557 -4.052 -1.292 1.00 0.00 H new ATOM 712 N GLU A 47 2.448 -5.499 3.575 1.00 0.00 N ATOM 713 CA GLU A 47 2.763 -6.451 4.626 1.00 0.00 C ATOM 714 C GLU A 47 1.662 -7.507 4.733 1.00 0.00 C ATOM 715 O GLU A 47 1.948 -8.699 4.836 1.00 0.00 O ATOM 716 CB GLU A 47 2.974 -5.740 5.965 1.00 0.00 C ATOM 717 CG GLU A 47 4.459 -5.680 6.326 1.00 0.00 C ATOM 718 CD GLU A 47 4.711 -6.274 7.713 1.00 0.00 C ATOM 719 OE1 GLU A 47 4.139 -5.798 8.705 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.533 -7.268 7.739 1.00 0.00 O ATOM 0 H GLU A 47 2.191 -4.569 3.905 1.00 0.00 H new ATOM 0 HA GLU A 47 3.696 -6.952 4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.568 -4.730 5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.426 -6.263 6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.040 -6.225 5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.801 -4.645 6.302 1.00 0.00 H new ATOM 728 N GLU A 48 0.425 -7.032 4.705 1.00 0.00 N ATOM 729 CA GLU A 48 -0.720 -7.921 4.798 1.00 0.00 C ATOM 730 C GLU A 48 -0.949 -8.633 3.463 1.00 0.00 C ATOM 731 O GLU A 48 -1.692 -9.611 3.397 1.00 0.00 O ATOM 732 CB GLU A 48 -1.973 -7.157 5.233 1.00 0.00 C ATOM 733 CG GLU A 48 -2.793 -7.974 6.234 1.00 0.00 C ATOM 734 CD GLU A 48 -4.156 -8.348 5.649 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.616 -7.709 4.690 1.00 0.00 O ATOM 736 OE2 GLU A 48 -4.743 -9.342 6.225 1.00 0.00 O ATOM 0 H GLU A 48 0.191 -6.043 4.619 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.510 -8.674 5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.686 -6.206 5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.584 -6.926 4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.248 -8.879 6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.931 -7.400 7.150 1.00 0.00 H new ATOM 744 N GLU A 49 -0.296 -8.115 2.433 1.00 0.00 N ATOM 745 CA GLU A 49 -0.419 -8.690 1.104 1.00 0.00 C ATOM 746 C GLU A 49 0.552 -9.861 0.941 1.00 0.00 C ATOM 747 O GLU A 49 0.130 -11.013 0.854 1.00 0.00 O ATOM 748 CB GLU A 49 -0.186 -7.630 0.025 1.00 0.00 C ATOM 749 CG GLU A 49 -0.713 -8.103 -1.331 1.00 0.00 C ATOM 750 CD GLU A 49 0.385 -8.050 -2.395 1.00 0.00 C ATOM 751 OE1 GLU A 49 1.422 -7.405 -2.184 1.00 0.00 O ATOM 752 OE2 GLU A 49 0.132 -8.712 -3.473 1.00 0.00 O ATOM 0 H GLU A 49 0.320 -7.304 2.492 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.435 -9.066 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.683 -6.702 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.879 -7.411 -0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.090 -9.122 -1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.552 -7.478 -1.637 1.00 0.00 H new ATOM 760 N PHE A 50 1.833 -9.526 0.904 1.00 0.00 N ATOM 761 CA PHE A 50 2.867 -10.536 0.752 1.00 0.00 C ATOM 762 C PHE A 50 4.000 -10.315 1.755 1.00 0.00 C ATOM 763 O PHE A 50 5.157 -10.620 1.468 1.00 0.00 O ATOM 764 CB PHE A 50 3.423 -10.397 -0.667 1.00 0.00 C ATOM 765 CG PHE A 50 2.917 -11.463 -1.641 1.00 0.00 C ATOM 766 CD1 PHE A 50 3.563 -12.655 -1.739 1.00 0.00 C ATOM 767 CD2 PHE A 50 1.821 -11.217 -2.407 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.093 -13.644 -2.643 1.00 0.00 C ATOM 769 CE2 PHE A 50 1.351 -12.207 -3.312 1.00 0.00 C ATOM 770 CZ PHE A 50 1.997 -13.399 -3.410 1.00 0.00 C ATOM 0 H PHE A 50 2.179 -8.569 0.977 1.00 0.00 H new ATOM 0 HA PHE A 50 2.449 -11.527 0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.161 -9.412 -1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.511 -10.444 -0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.433 -12.850 -1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.308 -10.270 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.606 -14.591 -2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.481 -12.012 -3.922 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.640 -14.152 -4.097 1.00 0.00 H new ATOM 780 N ASP A 51 3.629 -9.786 2.912 1.00 0.00 N ATOM 781 CA ASP A 51 4.600 -9.521 3.960 1.00 0.00 C ATOM 782 C ASP A 51 5.889 -8.986 3.331 1.00 0.00 C ATOM 783 O ASP A 51 6.940 -9.616 3.431 1.00 0.00 O ATOM 784 CB ASP A 51 4.944 -10.798 4.728 1.00 0.00 C ATOM 785 CG ASP A 51 5.619 -10.576 6.083 1.00 0.00 C ATOM 786 OD1 ASP A 51 5.186 -9.731 6.881 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.644 -11.325 6.311 1.00 0.00 O ATOM 0 H ASP A 51 2.669 -9.534 3.147 1.00 0.00 H new ATOM 0 HA ASP A 51 4.166 -8.794 4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.028 -11.368 4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.599 -11.411 4.109 1.00 0.00 H new ATOM 793 N THR A 52 5.764 -7.829 2.698 1.00 0.00 N ATOM 794 CA THR A 52 6.905 -7.202 2.054 1.00 0.00 C ATOM 795 C THR A 52 7.403 -6.018 2.885 1.00 0.00 C ATOM 796 O THR A 52 8.566 -5.629 2.784 1.00 0.00 O ATOM 797 CB THR A 52 6.492 -6.814 0.632 1.00 0.00 C ATOM 798 OG1 THR A 52 5.069 -6.760 0.687 1.00 0.00 O ATOM 799 CG2 THR A 52 6.784 -7.920 -0.384 1.00 0.00 C ATOM 0 H THR A 52 4.890 -7.310 2.617 1.00 0.00 H new ATOM 0 HA THR A 52 7.748 -7.890 1.987 1.00 0.00 H new ATOM 0 HB THR A 52 7.014 -5.903 0.338 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.713 -6.592 -0.211 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.472 -7.594 -1.376 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.853 -8.134 -0.391 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.235 -8.821 -0.109 1.00 0.00 H new ATOM 807 N GLU A 53 6.499 -5.478 3.689 1.00 0.00 N ATOM 808 CA GLU A 53 6.832 -4.346 4.537 1.00 0.00 C ATOM 809 C GLU A 53 7.699 -3.345 3.771 1.00 0.00 C ATOM 810 O GLU A 53 8.924 -3.459 3.762 1.00 0.00 O ATOM 811 CB GLU A 53 7.529 -4.808 5.818 1.00 0.00 C ATOM 812 CG GLU A 53 8.656 -5.795 5.504 1.00 0.00 C ATOM 813 CD GLU A 53 9.396 -6.206 6.779 1.00 0.00 C ATOM 814 OE1 GLU A 53 9.737 -5.345 7.603 1.00 0.00 O ATOM 815 OE2 GLU A 53 9.613 -7.472 6.898 1.00 0.00 O ATOM 0 H GLU A 53 5.536 -5.804 3.771 1.00 0.00 H new ATOM 0 HA GLU A 53 5.906 -3.848 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.933 -3.945 6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.803 -5.278 6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.245 -6.679 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.357 -5.342 4.803 1.00 0.00 H new ATOM 823 N ILE A 54 7.030 -2.388 3.147 1.00 0.00 N ATOM 824 CA ILE A 54 7.724 -1.368 2.379 1.00 0.00 C ATOM 825 C ILE A 54 8.265 -0.299 3.332 1.00 0.00 C ATOM 826 O ILE A 54 7.540 0.190 4.197 1.00 0.00 O ATOM 827 CB ILE A 54 6.814 -0.810 1.283 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.618 -0.462 0.028 1.00 0.00 C ATOM 829 CG2 ILE A 54 6.006 0.383 1.795 1.00 0.00 C ATOM 830 CD1 ILE A 54 6.715 0.130 -1.055 1.00 0.00 C ATOM 0 H ILE A 54 6.014 -2.297 3.157 1.00 0.00 H new ATOM 0 HA ILE A 54 8.581 -1.798 1.861 1.00 0.00 H new ATOM 0 HB ILE A 54 6.100 -1.585 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.403 0.250 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.110 -1.357 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.368 0.760 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.387 0.070 2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.686 1.171 2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.311 0.368 -1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.945 -0.594 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.244 1.038 -0.679 1.00 0.00 H new ATOM 842 N PRO A 55 9.567 0.040 3.135 1.00 0.00 N ATOM 843 CA PRO A 55 10.213 1.042 3.966 1.00 0.00 C ATOM 844 C PRO A 55 9.753 2.450 3.586 1.00 0.00 C ATOM 845 O PRO A 55 8.769 2.612 2.865 1.00 0.00 O ATOM 846 CB PRO A 55 11.703 0.826 3.756 1.00 0.00 C ATOM 847 CG PRO A 55 11.830 0.028 2.468 1.00 0.00 C ATOM 848 CD PRO A 55 10.455 -0.519 2.121 1.00 0.00 C ATOM 0 HA PRO A 55 9.955 0.944 5.020 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.229 1.778 3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.142 0.286 4.595 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.204 0.660 1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.544 -0.786 2.592 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.151 -0.218 1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.445 -1.609 2.143 1.00 0.00 H new ATOM 856 N ASP A 56 10.486 3.433 4.086 1.00 0.00 N ATOM 857 CA ASP A 56 10.166 4.823 3.808 1.00 0.00 C ATOM 858 C ASP A 56 11.036 5.321 2.652 1.00 0.00 C ATOM 859 O ASP A 56 10.710 6.317 2.009 1.00 0.00 O ATOM 860 CB ASP A 56 10.444 5.707 5.025 1.00 0.00 C ATOM 861 CG ASP A 56 9.257 6.546 5.500 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.742 7.400 4.762 1.00 0.00 O ATOM 863 OD2 ASP A 56 8.855 6.292 6.699 1.00 0.00 O ATOM 0 H ASP A 56 11.302 3.295 4.683 1.00 0.00 H new ATOM 0 HA ASP A 56 9.107 4.881 3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.774 5.073 5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.271 6.376 4.788 1.00 0.00 H new ATOM 869 N GLU A 57 12.127 4.604 2.423 1.00 0.00 N ATOM 870 CA GLU A 57 13.046 4.960 1.356 1.00 0.00 C ATOM 871 C GLU A 57 12.491 4.509 0.004 1.00 0.00 C ATOM 872 O GLU A 57 12.595 5.231 -0.986 1.00 0.00 O ATOM 873 CB GLU A 57 14.433 4.365 1.606 1.00 0.00 C ATOM 874 CG GLU A 57 14.383 2.836 1.599 1.00 0.00 C ATOM 875 CD GLU A 57 15.456 2.248 2.517 1.00 0.00 C ATOM 876 OE1 GLU A 57 15.663 2.751 3.631 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.086 1.229 2.037 1.00 0.00 O ATOM 0 H GLU A 57 12.395 3.778 2.959 1.00 0.00 H new ATOM 0 HA GLU A 57 13.150 6.045 1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.126 4.713 0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.816 4.716 2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.398 2.499 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.527 2.469 0.583 1.00 0.00 H new ATOM 885 N GLU A 58 11.914 3.316 0.006 1.00 0.00 N ATOM 886 CA GLU A 58 11.342 2.759 -1.208 1.00 0.00 C ATOM 887 C GLU A 58 10.006 3.433 -1.523 1.00 0.00 C ATOM 888 O GLU A 58 9.505 3.334 -2.642 1.00 0.00 O ATOM 889 CB GLU A 58 11.178 1.243 -1.092 1.00 0.00 C ATOM 890 CG GLU A 58 12.242 0.511 -1.912 1.00 0.00 C ATOM 891 CD GLU A 58 12.027 0.731 -3.410 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.487 -0.150 -4.095 1.00 0.00 O ATOM 893 OE2 GLU A 58 12.442 1.867 -3.860 1.00 0.00 O ATOM 0 H GLU A 58 11.830 2.720 0.829 1.00 0.00 H new ATOM 0 HA GLU A 58 12.028 2.954 -2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.251 0.945 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.185 0.954 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.233 0.865 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.208 -0.555 -1.689 1.00 0.00 H new ATOM 901 N ALA A 59 9.466 4.104 -0.517 1.00 0.00 N ATOM 902 CA ALA A 59 8.197 4.795 -0.672 1.00 0.00 C ATOM 903 C ALA A 59 8.364 5.942 -1.671 1.00 0.00 C ATOM 904 O ALA A 59 7.487 6.182 -2.499 1.00 0.00 O ATOM 905 CB ALA A 59 7.708 5.279 0.694 1.00 0.00 C ATOM 0 H ALA A 59 9.884 4.184 0.410 1.00 0.00 H new ATOM 0 HA ALA A 59 7.439 4.120 -1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.756 5.797 0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.577 4.424 1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.442 5.961 1.123 1.00 0.00 H new ATOM 911 N GLU A 60 9.497 6.620 -1.561 1.00 0.00 N ATOM 912 CA GLU A 60 9.791 7.735 -2.444 1.00 0.00 C ATOM 913 C GLU A 60 9.703 7.292 -3.906 1.00 0.00 C ATOM 914 O GLU A 60 8.992 7.903 -4.702 1.00 0.00 O ATOM 915 CB GLU A 60 11.164 8.334 -2.133 1.00 0.00 C ATOM 916 CG GLU A 60 11.041 9.798 -1.706 1.00 0.00 C ATOM 917 CD GLU A 60 12.313 10.273 -1.002 1.00 0.00 C ATOM 918 OE1 GLU A 60 12.606 9.826 0.117 1.00 0.00 O ATOM 919 OE2 GLU A 60 13.010 11.137 -1.658 1.00 0.00 O ATOM 0 H GLU A 60 10.223 6.418 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 60 9.046 8.513 -2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.644 7.760 -1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.804 8.261 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.851 10.421 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.187 9.915 -1.039 1.00 0.00 H new ATOM 927 N LYS A 61 10.437 6.233 -4.215 1.00 0.00 N ATOM 928 CA LYS A 61 10.452 5.701 -5.567 1.00 0.00 C ATOM 929 C LYS A 61 9.132 4.976 -5.839 1.00 0.00 C ATOM 930 O LYS A 61 8.892 4.514 -6.953 1.00 0.00 O ATOM 931 CB LYS A 61 11.690 4.829 -5.786 1.00 0.00 C ATOM 932 CG LYS A 61 11.502 3.904 -6.990 1.00 0.00 C ATOM 933 CD LYS A 61 12.851 3.497 -7.585 1.00 0.00 C ATOM 934 CE LYS A 61 13.049 4.117 -8.970 1.00 0.00 C ATOM 935 NZ LYS A 61 14.333 3.673 -9.558 1.00 0.00 N ATOM 0 H LYS A 61 11.026 5.729 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 61 10.528 6.509 -6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.563 5.463 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.884 4.235 -4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.951 3.014 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.903 4.407 -7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.656 3.815 -6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.908 2.411 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.225 3.832 -9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.034 5.204 -8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.452 4.103 -10.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.117 3.967 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.333 2.637 -9.649 1.00 0.00 H new ATOM 948 N ILE A 62 8.312 4.898 -4.801 1.00 0.00 N ATOM 949 CA ILE A 62 7.023 4.236 -4.914 1.00 0.00 C ATOM 950 C ILE A 62 5.926 5.179 -4.417 1.00 0.00 C ATOM 951 O ILE A 62 4.905 4.730 -3.897 1.00 0.00 O ATOM 952 CB ILE A 62 7.048 2.887 -4.193 1.00 0.00 C ATOM 953 CG1 ILE A 62 8.160 1.992 -4.744 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.680 2.206 -4.257 1.00 0.00 C ATOM 955 CD1 ILE A 62 8.565 0.928 -3.721 1.00 0.00 C ATOM 0 H ILE A 62 8.515 5.282 -3.878 1.00 0.00 H new ATOM 0 HA ILE A 62 6.801 4.009 -5.957 1.00 0.00 H new ATOM 0 HB ILE A 62 7.270 3.066 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.823 1.510 -5.661 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.026 2.600 -5.004 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.725 1.249 -3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.934 2.843 -3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.404 2.040 -5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.357 0.305 -4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.925 1.414 -2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.702 0.306 -3.482 1.00 0.00 H new ATOM 967 N THR A 63 6.172 6.469 -4.594 1.00 0.00 N ATOM 968 CA THR A 63 5.218 7.478 -4.170 1.00 0.00 C ATOM 969 C THR A 63 4.138 7.673 -5.236 1.00 0.00 C ATOM 970 O THR A 63 3.449 8.692 -5.248 1.00 0.00 O ATOM 971 CB THR A 63 5.993 8.758 -3.850 1.00 0.00 C ATOM 972 OG1 THR A 63 4.997 9.658 -3.372 1.00 0.00 O ATOM 973 CG2 THR A 63 6.541 9.440 -5.105 1.00 0.00 C ATOM 0 H THR A 63 7.019 6.838 -5.026 1.00 0.00 H new ATOM 0 HA THR A 63 4.689 7.167 -3.269 1.00 0.00 H new ATOM 0 HB THR A 63 6.817 8.524 -3.175 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.380 10.557 -3.292 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.082 10.343 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.217 8.760 -5.623 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.715 9.704 -5.766 1.00 0.00 H new ATOM 981 N THR A 64 4.024 6.680 -6.106 1.00 0.00 N ATOM 982 CA THR A 64 3.040 6.729 -7.173 1.00 0.00 C ATOM 983 C THR A 64 2.023 5.597 -7.014 1.00 0.00 C ATOM 984 O THR A 64 1.848 5.065 -5.919 1.00 0.00 O ATOM 985 CB THR A 64 3.788 6.690 -8.508 1.00 0.00 C ATOM 986 OG1 THR A 64 4.488 5.449 -8.478 1.00 0.00 O ATOM 987 CG2 THR A 64 4.896 7.741 -8.588 1.00 0.00 C ATOM 0 H THR A 64 4.597 5.837 -6.093 1.00 0.00 H new ATOM 0 HA THR A 64 2.461 7.652 -7.134 1.00 0.00 H new ATOM 0 HB THR A 64 3.082 6.843 -9.324 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.354 5.572 -8.036 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.395 7.671 -9.554 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.463 8.735 -8.474 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.620 7.567 -7.792 1.00 0.00 H new ATOM 995 N VAL A 65 1.379 5.263 -8.122 1.00 0.00 N ATOM 996 CA VAL A 65 0.384 4.204 -8.119 1.00 0.00 C ATOM 997 C VAL A 65 0.928 2.997 -8.885 1.00 0.00 C ATOM 998 O VAL A 65 1.014 1.898 -8.339 1.00 0.00 O ATOM 999 CB VAL A 65 -0.938 4.726 -8.687 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -1.857 3.571 -9.089 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.632 5.658 -7.691 1.00 0.00 C ATOM 0 H VAL A 65 1.527 5.707 -9.028 1.00 0.00 H new ATOM 0 HA VAL A 65 0.178 3.877 -7.100 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.713 5.302 -9.585 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.789 3.970 -9.489 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.366 2.963 -9.849 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.071 2.956 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.569 6.015 -8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.838 5.116 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.984 6.508 -7.476 1.00 0.00 H new ATOM 1011 N GLN A 66 1.280 3.241 -10.139 1.00 0.00 N ATOM 1012 CA GLN A 66 1.813 2.188 -10.985 1.00 0.00 C ATOM 1013 C GLN A 66 3.068 1.582 -10.353 1.00 0.00 C ATOM 1014 O GLN A 66 3.515 0.509 -10.756 1.00 0.00 O ATOM 1015 CB GLN A 66 2.106 2.711 -12.393 1.00 0.00 C ATOM 1016 CG GLN A 66 2.430 1.561 -13.349 1.00 0.00 C ATOM 1017 CD GLN A 66 1.256 1.281 -14.288 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.990 2.014 -15.227 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.569 0.183 -13.984 1.00 0.00 N ATOM 0 H GLN A 66 1.206 4.153 -10.589 1.00 0.00 H new ATOM 0 HA GLN A 66 1.060 1.405 -11.073 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.245 3.266 -12.765 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.944 3.407 -12.359 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.317 1.808 -13.933 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.665 0.663 -12.777 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.845 -0.386 -13.184 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.234 -0.090 -14.551 1.00 0.00 H new ATOM 1028 N ALA A 67 3.601 2.297 -9.373 1.00 0.00 N ATOM 1029 CA ALA A 67 4.796 1.844 -8.681 1.00 0.00 C ATOM 1030 C ALA A 67 4.442 0.653 -7.788 1.00 0.00 C ATOM 1031 O ALA A 67 5.273 -0.225 -7.560 1.00 0.00 O ATOM 1032 CB ALA A 67 5.400 3.006 -7.890 1.00 0.00 C ATOM 0 H ALA A 67 3.227 3.186 -9.042 1.00 0.00 H new ATOM 0 HA ALA A 67 5.549 1.509 -9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.296 2.666 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.661 3.814 -8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.674 3.367 -7.162 1.00 0.00 H new ATOM 1038 N ALA A 68 3.207 0.661 -7.307 1.00 0.00 N ATOM 1039 CA ALA A 68 2.733 -0.408 -6.444 1.00 0.00 C ATOM 1040 C ALA A 68 2.172 -1.542 -7.305 1.00 0.00 C ATOM 1041 O ALA A 68 1.673 -2.536 -6.780 1.00 0.00 O ATOM 1042 CB ALA A 68 1.698 0.148 -5.465 1.00 0.00 C ATOM 0 H ALA A 68 2.521 1.391 -7.499 1.00 0.00 H new ATOM 0 HA ALA A 68 3.553 -0.817 -5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.342 -0.653 -4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.155 0.929 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.858 0.565 -6.021 1.00 0.00 H new ATOM 1048 N ILE A 69 2.272 -1.354 -8.613 1.00 0.00 N ATOM 1049 CA ILE A 69 1.781 -2.348 -9.552 1.00 0.00 C ATOM 1050 C ILE A 69 2.965 -2.979 -10.286 1.00 0.00 C ATOM 1051 O ILE A 69 2.861 -4.093 -10.797 1.00 0.00 O ATOM 1052 CB ILE A 69 0.735 -1.734 -10.485 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.563 -1.435 -9.732 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.498 -2.625 -11.705 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -1.014 0.008 -9.966 1.00 0.00 C ATOM 0 H ILE A 69 2.686 -0.528 -9.045 1.00 0.00 H new ATOM 0 HA ILE A 69 1.269 -3.152 -9.022 1.00 0.00 H new ATOM 0 HB ILE A 69 1.121 -0.783 -10.852 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.344 -2.121 -10.060 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.416 -1.605 -8.665 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.250 -2.165 -12.351 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.431 -2.743 -12.256 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.143 -3.603 -11.378 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.939 0.193 -9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.241 0.692 -9.615 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.184 0.168 -11.031 1.00 0.00 H new ATOM 1067 N ASP A 70 4.064 -2.239 -10.316 1.00 0.00 N ATOM 1068 CA ASP A 70 5.267 -2.712 -10.980 1.00 0.00 C ATOM 1069 C ASP A 70 6.111 -3.512 -9.986 1.00 0.00 C ATOM 1070 O ASP A 70 6.776 -4.475 -10.365 1.00 0.00 O ATOM 1071 CB ASP A 70 6.113 -1.543 -11.486 1.00 0.00 C ATOM 1072 CG ASP A 70 6.278 -1.473 -13.005 1.00 0.00 C ATOM 1073 OD1 ASP A 70 5.807 -2.354 -13.740 1.00 0.00 O ATOM 1074 OD2 ASP A 70 6.929 -0.446 -13.436 1.00 0.00 O ATOM 0 H ASP A 70 4.146 -1.315 -9.891 1.00 0.00 H new ATOM 0 HA ASP A 70 4.965 -3.330 -11.826 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.662 -0.612 -11.142 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.101 -1.606 -11.031 1.00 0.00 H new ATOM 1080 N TYR A 71 6.058 -3.083 -8.733 1.00 0.00 N ATOM 1081 CA TYR A 71 6.810 -3.747 -7.682 1.00 0.00 C ATOM 1082 C TYR A 71 6.122 -5.044 -7.251 1.00 0.00 C ATOM 1083 O TYR A 71 6.786 -6.040 -6.970 1.00 0.00 O ATOM 1084 CB TYR A 71 6.829 -2.776 -6.500 1.00 0.00 C ATOM 1085 CG TYR A 71 8.074 -2.895 -5.618 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.330 -2.854 -6.188 1.00 0.00 C ATOM 1087 CD2 TYR A 71 7.941 -3.042 -4.252 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.502 -2.965 -5.358 1.00 0.00 C ATOM 1089 CE2 TYR A 71 9.112 -3.153 -3.422 1.00 0.00 C ATOM 1090 CZ TYR A 71 10.335 -3.109 -4.016 1.00 0.00 C ATOM 1091 OH TYR A 71 11.441 -3.214 -3.232 1.00 0.00 O ATOM 0 H TYR A 71 5.506 -2.284 -8.422 1.00 0.00 H new ATOM 0 HA TYR A 71 7.811 -4.003 -8.029 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.761 -1.756 -6.879 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.944 -2.948 -5.887 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.434 -2.739 -7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.958 -3.074 -3.806 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.491 -2.935 -5.791 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.022 -3.269 -2.352 1.00 0.00 H new ATOM 0 HH TYR A 71 11.170 -3.311 -2.295 1.00 0.00 H new ATOM 1101 N ILE A 72 4.798 -4.989 -7.212 1.00 0.00 N ATOM 1102 CA ILE A 72 4.013 -6.146 -6.820 1.00 0.00 C ATOM 1103 C ILE A 72 4.017 -7.170 -7.957 1.00 0.00 C ATOM 1104 O ILE A 72 4.012 -8.375 -7.712 1.00 0.00 O ATOM 1105 CB ILE A 72 2.610 -5.719 -6.383 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.678 -4.654 -5.287 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.776 -6.929 -5.957 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.174 -5.254 -3.970 1.00 0.00 C ATOM 0 H ILE A 72 4.250 -4.161 -7.446 1.00 0.00 H new ATOM 0 HA ILE A 72 4.459 -6.631 -5.952 1.00 0.00 H new ATOM 0 HB ILE A 72 2.108 -5.268 -7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.344 -3.849 -5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.692 -4.213 -5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.784 -6.597 -5.651 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.685 -7.621 -6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.264 -7.431 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.213 -4.476 -3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.492 -6.042 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.170 -5.672 -4.113 1.00 0.00 H new ATOM 1120 N ASN A 73 4.027 -6.652 -9.177 1.00 0.00 N ATOM 1121 CA ASN A 73 4.033 -7.505 -10.352 1.00 0.00 C ATOM 1122 C ASN A 73 5.147 -8.546 -10.217 1.00 0.00 C ATOM 1123 O ASN A 73 5.064 -9.628 -10.796 1.00 0.00 O ATOM 1124 CB ASN A 73 4.297 -6.693 -11.622 1.00 0.00 C ATOM 1125 CG ASN A 73 3.245 -6.991 -12.692 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.431 -7.821 -13.568 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.134 -6.271 -12.574 1.00 0.00 N ATOM 0 H ASN A 73 4.031 -5.652 -9.376 1.00 0.00 H new ATOM 0 HA ASN A 73 3.056 -7.983 -10.426 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.289 -5.629 -11.386 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.289 -6.927 -12.008 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.372 -6.396 -13.240 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.043 -5.593 -11.817 1.00 0.00 H new ATOM 1134 N GLY A 74 6.163 -8.181 -9.448 1.00 0.00 N ATOM 1135 CA GLY A 74 7.291 -9.070 -9.229 1.00 0.00 C ATOM 1136 C GLY A 74 6.825 -10.431 -8.709 1.00 0.00 C ATOM 1137 O GLY A 74 7.567 -11.410 -8.769 1.00 0.00 O ATOM 0 H GLY A 74 6.228 -7.283 -8.969 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.841 -9.202 -10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.979 -8.620 -8.514 1.00 0.00 H new ATOM 1141 N HIS A 75 5.598 -10.449 -8.209 1.00 0.00 N ATOM 1142 CA HIS A 75 5.024 -11.674 -7.679 1.00 0.00 C ATOM 1143 C HIS A 75 5.039 -12.757 -8.759 1.00 0.00 C ATOM 1144 O HIS A 75 5.677 -13.796 -8.592 1.00 0.00 O ATOM 1145 CB HIS A 75 3.625 -11.418 -7.114 1.00 0.00 C ATOM 1146 CG HIS A 75 2.597 -12.442 -7.533 1.00 0.00 C ATOM 1147 ND1 HIS A 75 2.831 -13.805 -7.478 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.330 -12.287 -8.014 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.747 -14.433 -7.909 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.818 -13.491 -8.241 1.00 0.00 N ATOM 0 H HIS A 75 4.986 -9.635 -8.160 1.00 0.00 H new ATOM 0 HA HIS A 75 5.629 -12.033 -6.846 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.682 -11.399 -6.026 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.291 -10.431 -7.433 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.829 -11.345 -8.182 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.621 -15.503 -7.984 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -0.116 -13.680 -8.604 1.00 0.00 H new ATOM 1158 N GLN A 76 4.328 -12.478 -9.841 1.00 0.00 N ATOM 1159 CA GLN A 76 4.251 -13.416 -10.948 1.00 0.00 C ATOM 1160 C GLN A 76 5.648 -13.686 -11.513 1.00 0.00 C ATOM 1161 O GLN A 76 6.431 -12.759 -11.711 1.00 0.00 O ATOM 1162 CB GLN A 76 3.309 -12.902 -12.038 1.00 0.00 C ATOM 1163 CG GLN A 76 3.923 -11.710 -12.776 1.00 0.00 C ATOM 1164 CD GLN A 76 2.895 -10.591 -12.959 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.823 -9.750 -11.931 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 2.214 -10.497 -13.967 1.00 0.00 N flip ATOM 0 H GLN A 76 3.800 -11.616 -9.975 1.00 0.00 H new ATOM 0 HA GLN A 76 3.843 -14.355 -10.575 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.096 -13.702 -12.747 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.358 -12.608 -11.593 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.780 -11.334 -12.217 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.293 -12.032 -13.749 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.320 -11.178 -14.719 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.539 -9.738 -14.057 1.00 0.00 H new ATOM 1175 N ALA A 77 5.916 -14.960 -11.757 1.00 0.00 N ATOM 1176 CA ALA A 77 7.204 -15.364 -12.295 1.00 0.00 C ATOM 1177 C ALA A 77 6.990 -16.106 -13.616 1.00 0.00 C ATOM 1178 O ALA A 77 7.347 -17.277 -13.739 1.00 0.00 O ATOM 1179 CB ALA A 77 7.946 -16.215 -11.262 1.00 0.00 C ATOM 0 H ALA A 77 5.263 -15.726 -11.592 1.00 0.00 H new ATOM 0 HA ALA A 77 7.823 -14.491 -12.503 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.912 -16.518 -11.666 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.099 -15.633 -10.353 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.356 -17.102 -11.030 1.00 0.00 H new TER 1185 ALA A 77