USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 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 52 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.6!) USER MOD Set 1.2: A 56 ASN : amide:sc= 0 X(o=-1.4,f=-1.4) USER MOD Set 2.1: A 42 THR OG1 : rot 178:sc= -1.74 USER MOD Set 2.2: A 45 GLN : amide:sc= -1.61 K(o=-3.4,f=-4.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.446 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -5:sc= 0.984 USER MOD Single : A 6 SER OG : rot 31:sc= 0.583 USER MOD Single : A 8 TYR OH : rot 130:sc= -0.346 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0.0023 (180deg=-0.0089) USER MOD Single : A 13 THR OG1 : rot -133:sc= -0.571 USER MOD Single : A 17 LYS NZ :NH3+ -132:sc= 0.076 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 33 LYS NZ :NH3+ 141:sc= 1.47 (180deg=0.61) USER MOD Single : A 35 SER OG : rot -150:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 178:sc= 0.639 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= -0.0325 (180deg=-0.332) USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= -0.38 (180deg=-1.65) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.376 K(o=-0.38,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.364 14.014 -8.444 1.00 0.00 N ATOM 2 CA GLY A 1 -16.643 12.630 -8.109 1.00 0.00 C ATOM 3 C GLY A 1 -16.911 11.780 -9.335 1.00 0.00 C ATOM 4 O GLY A 1 -17.788 12.095 -10.139 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.188 14.553 -7.572 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.524 14.061 -9.056 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.180 14.421 -8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.798 12.215 -7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.506 12.587 -7.445 1.00 0.00 H new ATOM 8 N SER A 2 -16.151 10.699 -9.481 1.00 0.00 N ATOM 9 CA SER A 2 -16.307 9.803 -10.621 1.00 0.00 C ATOM 10 C SER A 2 -17.516 8.892 -10.435 1.00 0.00 C ATOM 11 O SER A 2 -17.428 7.849 -9.788 1.00 0.00 O ATOM 12 CB SER A 2 -15.044 8.961 -10.811 1.00 0.00 C ATOM 13 OG SER A 2 -14.682 8.305 -9.608 1.00 0.00 O ATOM 0 H SER A 2 -15.421 10.423 -8.824 1.00 0.00 H new ATOM 0 HA SER A 2 -16.467 10.412 -11.511 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.210 8.223 -11.596 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.224 9.599 -11.142 1.00 0.00 H new ATOM 0 HG SER A 2 -15.477 7.899 -9.205 1.00 0.00 H new ATOM 19 N SER A 3 -18.646 9.294 -11.009 1.00 0.00 N ATOM 20 CA SER A 3 -19.875 8.517 -10.904 1.00 0.00 C ATOM 21 C SER A 3 -20.436 8.198 -12.286 1.00 0.00 C ATOM 22 O SER A 3 -20.595 9.085 -13.124 1.00 0.00 O ATOM 23 CB SER A 3 -20.917 9.279 -10.082 1.00 0.00 C ATOM 24 OG SER A 3 -20.389 9.669 -8.826 1.00 0.00 O ATOM 0 H SER A 3 -18.735 10.153 -11.551 1.00 0.00 H new ATOM 0 HA SER A 3 -19.640 7.579 -10.401 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.245 10.161 -10.632 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.796 8.652 -9.932 1.00 0.00 H new ATOM 0 HG SER A 3 -21.073 10.156 -8.320 1.00 0.00 H new ATOM 30 N GLY A 4 -20.734 6.923 -12.518 1.00 0.00 N ATOM 31 CA GLY A 4 -21.274 6.508 -13.799 1.00 0.00 C ATOM 32 C GLY A 4 -21.670 5.045 -13.815 1.00 0.00 C ATOM 33 O GLY A 4 -22.851 4.716 -13.928 1.00 0.00 O ATOM 0 H GLY A 4 -20.611 6.170 -11.841 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.144 7.119 -14.038 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.533 6.689 -14.578 1.00 0.00 H new ATOM 37 N SER A 5 -20.681 4.164 -13.704 1.00 0.00 N ATOM 38 CA SER A 5 -20.932 2.728 -13.711 1.00 0.00 C ATOM 39 C SER A 5 -19.750 1.967 -13.119 1.00 0.00 C ATOM 40 O SER A 5 -18.607 2.418 -13.193 1.00 0.00 O ATOM 41 CB SER A 5 -21.203 2.244 -15.137 1.00 0.00 C ATOM 42 OG SER A 5 -22.417 2.778 -15.635 1.00 0.00 O ATOM 0 H SER A 5 -19.698 4.420 -13.608 1.00 0.00 H new ATOM 0 HA SER A 5 -21.811 2.534 -13.096 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.379 2.538 -15.787 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.248 1.155 -15.152 1.00 0.00 H new ATOM 0 HG SER A 5 -22.870 3.279 -14.925 1.00 0.00 H new ATOM 48 N SER A 6 -20.034 0.808 -12.532 1.00 0.00 N ATOM 49 CA SER A 6 -18.996 -0.015 -11.924 1.00 0.00 C ATOM 50 C SER A 6 -17.797 -0.156 -12.857 1.00 0.00 C ATOM 51 O SER A 6 -17.917 -0.676 -13.966 1.00 0.00 O ATOM 52 CB SER A 6 -19.551 -1.398 -11.576 1.00 0.00 C ATOM 53 OG SER A 6 -19.844 -2.139 -12.748 1.00 0.00 O ATOM 0 H SER A 6 -20.974 0.418 -12.465 1.00 0.00 H new ATOM 0 HA SER A 6 -18.666 0.478 -11.009 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.827 -1.942 -10.969 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.454 -1.290 -10.975 1.00 0.00 H new ATOM 0 HG SER A 6 -19.223 -1.882 -13.461 1.00 0.00 H new ATOM 59 N GLY A 7 -16.640 0.312 -12.399 1.00 0.00 N ATOM 60 CA GLY A 7 -15.435 0.230 -13.205 1.00 0.00 C ATOM 61 C GLY A 7 -14.333 -0.554 -12.521 1.00 0.00 C ATOM 62 O GLY A 7 -14.506 -1.730 -12.200 1.00 0.00 O ATOM 0 H GLY A 7 -16.515 0.746 -11.485 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.672 -0.239 -14.160 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.079 1.237 -13.424 1.00 0.00 H new ATOM 66 N TYR A 8 -13.197 0.096 -12.299 1.00 0.00 N ATOM 67 CA TYR A 8 -12.060 -0.550 -11.653 1.00 0.00 C ATOM 68 C TYR A 8 -11.244 0.459 -10.851 1.00 0.00 C ATOM 69 O TYR A 8 -11.368 1.669 -11.044 1.00 0.00 O ATOM 70 CB TYR A 8 -11.170 -1.227 -12.697 1.00 0.00 C ATOM 71 CG TYR A 8 -10.283 -2.309 -12.126 1.00 0.00 C ATOM 72 CD1 TYR A 8 -10.827 -3.472 -11.594 1.00 0.00 C ATOM 73 CD2 TYR A 8 -8.901 -2.170 -12.117 1.00 0.00 C ATOM 74 CE1 TYR A 8 -10.021 -4.464 -11.070 1.00 0.00 C ATOM 75 CE2 TYR A 8 -8.086 -3.157 -11.596 1.00 0.00 C ATOM 76 CZ TYR A 8 -8.651 -4.302 -11.074 1.00 0.00 C ATOM 77 OH TYR A 8 -7.843 -5.286 -10.553 1.00 0.00 O ATOM 0 H TYR A 8 -13.038 1.070 -12.557 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.445 -1.306 -10.968 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.800 -1.658 -13.475 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -10.546 -0.472 -13.175 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.899 -3.603 -11.590 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -8.455 -1.275 -12.524 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.461 -5.361 -10.660 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.013 -3.033 -11.598 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.137 -5.505 -11.197 1.00 0.00 H new ATOM 87 N SER A 9 -10.409 -0.048 -9.950 1.00 0.00 N ATOM 88 CA SER A 9 -9.574 0.808 -9.115 1.00 0.00 C ATOM 89 C SER A 9 -8.247 0.126 -8.795 1.00 0.00 C ATOM 90 O SER A 9 -8.212 -0.913 -8.136 1.00 0.00 O ATOM 91 CB SER A 9 -10.304 1.160 -7.818 1.00 0.00 C ATOM 92 OG SER A 9 -9.810 2.368 -7.266 1.00 0.00 O ATOM 0 H SER A 9 -10.293 -1.047 -9.779 1.00 0.00 H new ATOM 0 HA SER A 9 -9.369 1.724 -9.668 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.372 1.256 -8.013 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.183 0.351 -7.098 1.00 0.00 H new ATOM 0 HG SER A 9 -10.294 2.572 -6.439 1.00 0.00 H new ATOM 98 N VAL A 10 -7.155 0.719 -9.268 1.00 0.00 N ATOM 99 CA VAL A 10 -5.825 0.171 -9.033 1.00 0.00 C ATOM 100 C VAL A 10 -5.185 0.793 -7.796 1.00 0.00 C ATOM 101 O VAL A 10 -4.075 1.322 -7.857 1.00 0.00 O ATOM 102 CB VAL A 10 -4.901 0.399 -10.244 1.00 0.00 C ATOM 103 CG1 VAL A 10 -3.691 -0.519 -10.173 1.00 0.00 C ATOM 104 CG2 VAL A 10 -5.665 0.188 -11.543 1.00 0.00 C ATOM 0 H VAL A 10 -7.166 1.579 -9.816 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.948 -0.901 -8.876 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.547 1.430 -10.220 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.050 -0.343 -11.037 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.133 -0.315 -9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.022 -1.558 -10.172 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.997 0.353 -12.389 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.049 -0.831 -11.578 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.496 0.891 -11.594 1.00 0.00 H new ATOM 114 N LYS A 11 -5.893 0.726 -6.674 1.00 0.00 N ATOM 115 CA LYS A 11 -5.395 1.280 -5.420 1.00 0.00 C ATOM 116 C LYS A 11 -4.984 0.169 -4.459 1.00 0.00 C ATOM 117 O LYS A 11 -5.718 -0.800 -4.266 1.00 0.00 O ATOM 118 CB LYS A 11 -6.462 2.163 -4.770 1.00 0.00 C ATOM 119 CG LYS A 11 -5.904 3.142 -3.751 1.00 0.00 C ATOM 120 CD LYS A 11 -5.824 2.522 -2.367 1.00 0.00 C ATOM 121 CE LYS A 11 -5.545 3.570 -1.301 1.00 0.00 C ATOM 122 NZ LYS A 11 -4.216 4.215 -1.491 1.00 0.00 N ATOM 0 H LYS A 11 -6.814 0.293 -6.607 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.517 1.886 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.984 2.720 -5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.201 1.527 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.911 3.467 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.534 4.031 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.761 2.012 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.038 1.767 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.325 4.331 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.586 3.106 -0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.027 4.861 -0.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.477 3.484 -1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.215 4.751 -2.382 1.00 0.00 H new ATOM 136 N TRP A 12 -3.809 0.318 -3.859 1.00 0.00 N ATOM 137 CA TRP A 12 -3.302 -0.673 -2.916 1.00 0.00 C ATOM 138 C TRP A 12 -3.165 -0.076 -1.520 1.00 0.00 C ATOM 139 O TRP A 12 -3.161 1.144 -1.352 1.00 0.00 O ATOM 140 CB TRP A 12 -1.951 -1.212 -3.388 1.00 0.00 C ATOM 141 CG TRP A 12 -2.067 -2.224 -4.488 1.00 0.00 C ATOM 142 CD1 TRP A 12 -2.905 -2.172 -5.565 1.00 0.00 C ATOM 143 CD2 TRP A 12 -1.321 -3.440 -4.615 1.00 0.00 C ATOM 144 NE1 TRP A 12 -2.725 -3.282 -6.354 1.00 0.00 N ATOM 145 CE2 TRP A 12 -1.758 -4.075 -5.794 1.00 0.00 C ATOM 146 CE3 TRP A 12 -0.325 -4.052 -3.850 1.00 0.00 C ATOM 147 CZ2 TRP A 12 -1.234 -5.292 -6.222 1.00 0.00 C ATOM 148 CZ3 TRP A 12 0.194 -5.260 -4.276 1.00 0.00 C ATOM 149 CH2 TRP A 12 -0.260 -5.869 -5.454 1.00 0.00 C ATOM 0 H TRP A 12 -3.190 1.115 -4.008 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.017 -1.494 -2.871 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.336 -0.380 -3.732 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -1.432 -1.663 -2.542 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.606 -1.376 -5.767 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.230 -3.483 -7.217 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.033 -3.589 -2.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.584 -5.764 -7.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.963 -5.743 -3.691 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.167 -6.812 -5.761 1.00 0.00 H new ATOM 160 N THR A 13 -3.053 -0.943 -0.518 1.00 0.00 N ATOM 161 CA THR A 13 -2.916 -0.501 0.864 1.00 0.00 C ATOM 162 C THR A 13 -1.559 -0.894 1.436 1.00 0.00 C ATOM 163 O THR A 13 -1.078 -2.004 1.209 1.00 0.00 O ATOM 164 CB THR A 13 -4.026 -1.091 1.755 1.00 0.00 C ATOM 165 OG1 THR A 13 -3.900 -2.516 1.814 1.00 0.00 O ATOM 166 CG2 THR A 13 -5.402 -0.720 1.222 1.00 0.00 C ATOM 0 H THR A 13 -3.055 -1.956 -0.638 1.00 0.00 H new ATOM 0 HA THR A 13 -3.003 0.585 0.858 1.00 0.00 H new ATOM 0 HB THR A 13 -3.918 -0.675 2.757 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.777 -2.928 1.668 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.170 -1.148 1.867 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.505 0.365 1.205 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.518 -1.111 0.211 1.00 0.00 H new ATOM 174 N ILE A 14 -0.947 0.023 2.177 1.00 0.00 N ATOM 175 CA ILE A 14 0.355 -0.229 2.783 1.00 0.00 C ATOM 176 C ILE A 14 0.497 -1.692 3.190 1.00 0.00 C ATOM 177 O ILE A 14 1.397 -2.390 2.727 1.00 0.00 O ATOM 178 CB ILE A 14 0.583 0.661 4.018 1.00 0.00 C ATOM 179 CG1 ILE A 14 0.852 2.105 3.590 1.00 0.00 C ATOM 180 CG2 ILE A 14 1.739 0.126 4.851 1.00 0.00 C ATOM 181 CD1 ILE A 14 -0.401 2.945 3.474 1.00 0.00 C ATOM 0 H ILE A 14 -1.332 0.947 2.372 1.00 0.00 H new ATOM 0 HA ILE A 14 1.106 0.011 2.030 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.319 0.645 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.525 2.569 4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.367 2.101 2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.888 0.766 5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.511 -0.887 5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.647 0.116 4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.134 3.956 3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.067 2.504 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.906 2.980 4.439 1.00 0.00 H new ATOM 193 N GLU A 15 -0.399 -2.148 4.060 1.00 0.00 N ATOM 194 CA GLU A 15 -0.373 -3.528 4.529 1.00 0.00 C ATOM 195 C GLU A 15 0.062 -4.474 3.414 1.00 0.00 C ATOM 196 O GLU A 15 0.926 -5.327 3.612 1.00 0.00 O ATOM 197 CB GLU A 15 -1.752 -3.938 5.051 1.00 0.00 C ATOM 198 CG GLU A 15 -1.716 -5.127 5.998 1.00 0.00 C ATOM 199 CD GLU A 15 -1.025 -4.807 7.309 1.00 0.00 C ATOM 200 OE1 GLU A 15 -1.497 -3.897 8.022 1.00 0.00 O ATOM 201 OE2 GLU A 15 -0.012 -5.466 7.623 1.00 0.00 O ATOM 0 H GLU A 15 -1.151 -1.582 4.454 1.00 0.00 H new ATOM 0 HA GLU A 15 0.351 -3.595 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.204 -3.089 5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.395 -4.178 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.735 -5.457 6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.202 -5.957 5.514 1.00 0.00 H new ATOM 208 N GLU A 16 -0.543 -4.315 2.241 1.00 0.00 N ATOM 209 CA GLU A 16 -0.219 -5.156 1.095 1.00 0.00 C ATOM 210 C GLU A 16 1.129 -4.764 0.496 1.00 0.00 C ATOM 211 O GLU A 16 2.023 -5.597 0.351 1.00 0.00 O ATOM 212 CB GLU A 16 -1.313 -5.049 0.030 1.00 0.00 C ATOM 213 CG GLU A 16 -2.515 -5.937 0.300 1.00 0.00 C ATOM 214 CD GLU A 16 -3.072 -5.755 1.699 1.00 0.00 C ATOM 215 OE1 GLU A 16 -2.486 -6.316 2.648 1.00 0.00 O ATOM 216 OE2 GLU A 16 -4.094 -5.052 1.844 1.00 0.00 O ATOM 0 H GLU A 16 -1.260 -3.612 2.060 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.158 -6.188 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.645 -4.013 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.890 -5.310 -0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.295 -5.718 -0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.231 -6.980 0.159 1.00 0.00 H new ATOM 223 N LYS A 17 1.267 -3.488 0.150 1.00 0.00 N ATOM 224 CA LYS A 17 2.505 -2.983 -0.432 1.00 0.00 C ATOM 225 C LYS A 17 3.720 -3.576 0.274 1.00 0.00 C ATOM 226 O LYS A 17 4.707 -3.934 -0.367 1.00 0.00 O ATOM 227 CB LYS A 17 2.546 -1.456 -0.346 1.00 0.00 C ATOM 228 CG LYS A 17 1.862 -0.762 -1.511 1.00 0.00 C ATOM 229 CD LYS A 17 1.820 0.744 -1.317 1.00 0.00 C ATOM 230 CE LYS A 17 3.125 1.398 -1.744 1.00 0.00 C ATOM 231 NZ LYS A 17 3.144 1.698 -3.203 1.00 0.00 N ATOM 0 H LYS A 17 0.537 -2.785 0.263 1.00 0.00 H new ATOM 0 HA LYS A 17 2.534 -3.283 -1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.072 -1.140 0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.585 -1.131 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.390 -0.996 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.847 -1.144 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.996 1.163 -1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.624 0.972 -0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.270 2.320 -1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.958 0.740 -1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.038 1.362 -3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.347 1.217 -3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.061 2.725 -3.347 1.00 0.00 H new ATOM 245 N GLU A 18 3.639 -3.677 1.597 1.00 0.00 N ATOM 246 CA GLU A 18 4.733 -4.228 2.389 1.00 0.00 C ATOM 247 C GLU A 18 4.963 -5.698 2.051 1.00 0.00 C ATOM 248 O GLU A 18 6.052 -6.085 1.625 1.00 0.00 O ATOM 249 CB GLU A 18 4.437 -4.077 3.883 1.00 0.00 C ATOM 250 CG GLU A 18 4.150 -2.646 4.305 1.00 0.00 C ATOM 251 CD GLU A 18 5.403 -1.896 4.714 1.00 0.00 C ATOM 252 OE1 GLU A 18 6.351 -1.839 3.903 1.00 0.00 O ATOM 253 OE2 GLU A 18 5.435 -1.366 5.844 1.00 0.00 O ATOM 0 H GLU A 18 2.828 -3.385 2.143 1.00 0.00 H new ATOM 0 HA GLU A 18 5.639 -3.672 2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.581 -4.701 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.287 -4.451 4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.668 -2.118 3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.446 -2.651 5.137 1.00 0.00 H new ATOM 260 N LEU A 19 3.931 -6.512 2.244 1.00 0.00 N ATOM 261 CA LEU A 19 4.020 -7.940 1.960 1.00 0.00 C ATOM 262 C LEU A 19 4.519 -8.183 0.540 1.00 0.00 C ATOM 263 O LEU A 19 5.368 -9.044 0.308 1.00 0.00 O ATOM 264 CB LEU A 19 2.656 -8.604 2.154 1.00 0.00 C ATOM 265 CG LEU A 19 2.300 -9.000 3.588 1.00 0.00 C ATOM 266 CD1 LEU A 19 0.793 -9.129 3.748 1.00 0.00 C ATOM 267 CD2 LEU A 19 2.991 -10.301 3.969 1.00 0.00 C ATOM 0 H LEU A 19 3.023 -6.208 2.596 1.00 0.00 H new ATOM 0 HA LEU A 19 4.734 -8.380 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.888 -7.925 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.617 -9.498 1.531 1.00 0.00 H new ATOM 0 HG LEU A 19 2.650 -8.215 4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.559 -9.411 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.320 -8.175 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.419 -9.894 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.726 -10.567 4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.671 -11.094 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.071 -10.175 3.895 1.00 0.00 H new ATOM 279 N PHE A 20 3.988 -7.417 -0.408 1.00 0.00 N ATOM 280 CA PHE A 20 4.381 -7.548 -1.806 1.00 0.00 C ATOM 281 C PHE A 20 5.897 -7.463 -1.956 1.00 0.00 C ATOM 282 O PHE A 20 6.505 -8.253 -2.676 1.00 0.00 O ATOM 283 CB PHE A 20 3.712 -6.461 -2.650 1.00 0.00 C ATOM 284 CG PHE A 20 4.383 -6.231 -3.973 1.00 0.00 C ATOM 285 CD1 PHE A 20 4.065 -7.014 -5.071 1.00 0.00 C ATOM 286 CD2 PHE A 20 5.332 -5.232 -4.120 1.00 0.00 C ATOM 287 CE1 PHE A 20 4.682 -6.805 -6.290 1.00 0.00 C ATOM 288 CE2 PHE A 20 5.952 -5.018 -5.336 1.00 0.00 C ATOM 289 CZ PHE A 20 5.626 -5.805 -6.423 1.00 0.00 C ATOM 0 H PHE A 20 3.285 -6.699 -0.233 1.00 0.00 H new ATOM 0 HA PHE A 20 4.053 -8.526 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.671 -6.735 -2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.707 -5.527 -2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.327 -7.796 -4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.590 -4.613 -3.274 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.426 -7.423 -7.138 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.691 -4.236 -5.436 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.108 -5.639 -7.375 1.00 0.00 H new ATOM 299 N GLU A 21 6.500 -6.497 -1.269 1.00 0.00 N ATOM 300 CA GLU A 21 7.945 -6.307 -1.327 1.00 0.00 C ATOM 301 C GLU A 21 8.673 -7.473 -0.665 1.00 0.00 C ATOM 302 O GLU A 21 9.553 -8.089 -1.265 1.00 0.00 O ATOM 303 CB GLU A 21 8.337 -4.994 -0.647 1.00 0.00 C ATOM 304 CG GLU A 21 8.332 -3.798 -1.585 1.00 0.00 C ATOM 305 CD GLU A 21 9.672 -3.581 -2.260 1.00 0.00 C ATOM 306 OE1 GLU A 21 10.706 -3.927 -1.651 1.00 0.00 O ATOM 307 OE2 GLU A 21 9.687 -3.065 -3.397 1.00 0.00 O ATOM 0 H GLU A 21 6.011 -5.835 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 21 8.239 -6.266 -2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.650 -4.802 0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.332 -5.101 -0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.565 -3.941 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.062 -2.903 -1.025 1.00 0.00 H new ATOM 314 N GLN A 22 8.300 -7.768 0.576 1.00 0.00 N ATOM 315 CA GLN A 22 8.919 -8.858 1.320 1.00 0.00 C ATOM 316 C GLN A 22 9.192 -10.052 0.411 1.00 0.00 C ATOM 317 O GLN A 22 10.324 -10.522 0.310 1.00 0.00 O ATOM 318 CB GLN A 22 8.021 -9.283 2.484 1.00 0.00 C ATOM 319 CG GLN A 22 8.761 -10.035 3.579 1.00 0.00 C ATOM 320 CD GLN A 22 7.824 -10.787 4.505 1.00 0.00 C ATOM 321 OE1 GLN A 22 6.918 -10.201 5.099 1.00 0.00 O ATOM 322 NE2 GLN A 22 8.039 -12.091 4.633 1.00 0.00 N ATOM 0 H GLN A 22 7.573 -7.268 1.087 1.00 0.00 H new ATOM 0 HA GLN A 22 9.870 -8.501 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.554 -8.397 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.218 -9.912 2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.458 -10.738 3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.354 -9.330 4.162 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.802 -12.535 4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.441 -12.649 5.243 1.00 0.00 H new ATOM 331 N GLY A 23 8.145 -10.539 -0.248 1.00 0.00 N ATOM 332 CA GLY A 23 8.293 -11.674 -1.140 1.00 0.00 C ATOM 333 C GLY A 23 8.977 -11.305 -2.441 1.00 0.00 C ATOM 334 O GLY A 23 9.611 -12.146 -3.079 1.00 0.00 O ATOM 0 H GLY A 23 7.197 -10.168 -0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.868 -12.453 -0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.310 -12.093 -1.356 1.00 0.00 H new ATOM 338 N LEU A 24 8.847 -10.043 -2.838 1.00 0.00 N ATOM 339 CA LEU A 24 9.457 -9.564 -4.073 1.00 0.00 C ATOM 340 C LEU A 24 10.978 -9.651 -4.000 1.00 0.00 C ATOM 341 O LEU A 24 11.642 -9.932 -4.997 1.00 0.00 O ATOM 342 CB LEU A 24 9.030 -8.121 -4.349 1.00 0.00 C ATOM 343 CG LEU A 24 9.525 -7.514 -5.663 1.00 0.00 C ATOM 344 CD1 LEU A 24 8.624 -7.929 -6.815 1.00 0.00 C ATOM 345 CD2 LEU A 24 9.593 -5.997 -5.557 1.00 0.00 C ATOM 0 H LEU A 24 8.325 -9.334 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 24 9.115 -10.201 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.941 -8.077 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.381 -7.496 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 24 10.529 -7.890 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.992 -7.488 -7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.625 -9.015 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.608 -7.582 -6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.947 -5.582 -6.501 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.601 -5.603 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.280 -5.719 -4.758 1.00 0.00 H new ATOM 357 N ALA A 25 11.522 -9.410 -2.811 1.00 0.00 N ATOM 358 CA ALA A 25 12.964 -9.465 -2.606 1.00 0.00 C ATOM 359 C ALA A 25 13.423 -10.890 -2.313 1.00 0.00 C ATOM 360 O ALA A 25 14.516 -11.295 -2.709 1.00 0.00 O ATOM 361 CB ALA A 25 13.373 -8.534 -1.475 1.00 0.00 C ATOM 0 H ALA A 25 10.986 -9.175 -1.976 1.00 0.00 H new ATOM 0 HA ALA A 25 13.449 -9.136 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.453 -8.586 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.088 -7.512 -1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.872 -8.836 -0.556 1.00 0.00 H new ATOM 367 N LYS A 26 12.580 -11.646 -1.618 1.00 0.00 N ATOM 368 CA LYS A 26 12.898 -13.026 -1.271 1.00 0.00 C ATOM 369 C LYS A 26 12.728 -13.943 -2.479 1.00 0.00 C ATOM 370 O LYS A 26 13.678 -14.592 -2.916 1.00 0.00 O ATOM 371 CB LYS A 26 12.005 -13.505 -0.125 1.00 0.00 C ATOM 372 CG LYS A 26 12.474 -14.801 0.512 1.00 0.00 C ATOM 373 CD LYS A 26 11.435 -15.361 1.469 1.00 0.00 C ATOM 374 CE LYS A 26 11.978 -16.549 2.249 1.00 0.00 C ATOM 375 NZ LYS A 26 11.304 -16.701 3.568 1.00 0.00 N ATOM 0 H LYS A 26 11.671 -11.326 -1.284 1.00 0.00 H new ATOM 0 HA LYS A 26 13.939 -13.063 -0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.962 -12.729 0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.990 -13.640 -0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.685 -15.534 -0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.407 -14.627 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.121 -14.582 2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.550 -15.665 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.843 -17.459 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.050 -16.424 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.702 -17.521 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.454 -15.843 4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.284 -16.846 3.422 1.00 0.00 H new ATOM 389 N PHE A 27 11.513 -13.990 -3.014 1.00 0.00 N ATOM 390 CA PHE A 27 11.219 -14.827 -4.171 1.00 0.00 C ATOM 391 C PHE A 27 11.700 -14.164 -5.458 1.00 0.00 C ATOM 392 O PHE A 27 12.027 -14.839 -6.433 1.00 0.00 O ATOM 393 CB PHE A 27 9.717 -15.105 -4.258 1.00 0.00 C ATOM 394 CG PHE A 27 9.186 -15.898 -3.098 1.00 0.00 C ATOM 395 CD1 PHE A 27 9.693 -17.156 -2.812 1.00 0.00 C ATOM 396 CD2 PHE A 27 8.180 -15.387 -2.294 1.00 0.00 C ATOM 397 CE1 PHE A 27 9.206 -17.888 -1.745 1.00 0.00 C ATOM 398 CE2 PHE A 27 7.689 -16.114 -1.226 1.00 0.00 C ATOM 399 CZ PHE A 27 8.203 -17.366 -0.951 1.00 0.00 C ATOM 0 H PHE A 27 10.716 -13.458 -2.665 1.00 0.00 H new ATOM 0 HA PHE A 27 11.750 -15.771 -4.049 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.183 -14.157 -4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.508 -15.644 -5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.477 -17.569 -3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.774 -14.408 -2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.609 -18.867 -1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.905 -15.704 -0.607 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.822 -17.936 -0.117 1.00 0.00 H new ATOM 409 N GLY A 28 11.739 -12.835 -5.453 1.00 0.00 N ATOM 410 CA GLY A 28 12.180 -12.101 -6.625 1.00 0.00 C ATOM 411 C GLY A 28 11.035 -11.422 -7.349 1.00 0.00 C ATOM 412 O GLY A 28 10.158 -10.830 -6.720 1.00 0.00 O ATOM 0 H GLY A 28 11.473 -12.254 -4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.912 -11.351 -6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.684 -12.784 -7.309 1.00 0.00 H new ATOM 416 N ARG A 29 11.042 -11.505 -8.675 1.00 0.00 N ATOM 417 CA ARG A 29 9.997 -10.891 -9.486 1.00 0.00 C ATOM 418 C ARG A 29 8.882 -11.889 -9.781 1.00 0.00 C ATOM 419 O ARG A 29 8.144 -11.739 -10.755 1.00 0.00 O ATOM 420 CB ARG A 29 10.583 -10.362 -10.796 1.00 0.00 C ATOM 421 CG ARG A 29 11.077 -8.927 -10.707 1.00 0.00 C ATOM 422 CD ARG A 29 11.113 -8.265 -12.076 1.00 0.00 C ATOM 423 NE ARG A 29 9.835 -7.647 -12.419 1.00 0.00 N ATOM 424 CZ ARG A 29 9.633 -6.944 -13.527 1.00 0.00 C ATOM 425 NH1 ARG A 29 10.620 -6.770 -14.395 1.00 0.00 N ATOM 426 NH2 ARG A 29 8.441 -6.413 -13.769 1.00 0.00 N ATOM 0 H ARG A 29 11.760 -11.992 -9.211 1.00 0.00 H new ATOM 0 HA ARG A 29 9.576 -10.058 -8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.410 -11.004 -11.100 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.825 -10.429 -11.576 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.427 -8.358 -10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.074 -8.911 -10.267 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.897 -7.508 -12.092 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.371 -9.008 -12.831 1.00 0.00 H new ATOM 0 HE ARG A 29 9.055 -7.762 -11.772 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.537 -7.177 -14.212 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.462 -6.229 -15.245 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.679 -6.545 -13.104 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.287 -5.873 -14.620 1.00 0.00 H new ATOM 440 N ARG A 30 8.765 -12.906 -8.934 1.00 0.00 N ATOM 441 CA ARG A 30 7.741 -13.930 -9.105 1.00 0.00 C ATOM 442 C ARG A 30 6.389 -13.436 -8.597 1.00 0.00 C ATOM 443 O ARG A 30 6.217 -13.186 -7.404 1.00 0.00 O ATOM 444 CB ARG A 30 8.139 -15.209 -8.368 1.00 0.00 C ATOM 445 CG ARG A 30 9.459 -15.797 -8.838 1.00 0.00 C ATOM 446 CD ARG A 30 9.825 -17.046 -8.051 1.00 0.00 C ATOM 447 NE ARG A 30 11.216 -17.437 -8.259 1.00 0.00 N ATOM 448 CZ ARG A 30 11.735 -18.575 -7.812 1.00 0.00 C ATOM 449 NH1 ARG A 30 10.981 -19.430 -7.135 1.00 0.00 N ATOM 450 NH2 ARG A 30 13.010 -18.860 -8.042 1.00 0.00 N ATOM 0 H ARG A 30 9.367 -13.043 -8.122 1.00 0.00 H new ATOM 0 HA ARG A 30 7.653 -14.146 -10.170 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.205 -14.998 -7.301 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.353 -15.953 -8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.393 -16.040 -9.898 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.249 -15.053 -8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.653 -16.868 -6.989 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.170 -17.866 -8.347 1.00 0.00 H new ATOM 0 HE ARG A 30 11.823 -16.801 -8.776 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.000 -19.214 -6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.382 -20.303 -6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.593 -18.205 -8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.407 -19.734 -7.698 1.00 0.00 H new ATOM 464 N TRP A 31 5.434 -13.299 -9.510 1.00 0.00 N ATOM 465 CA TRP A 31 4.098 -12.835 -9.153 1.00 0.00 C ATOM 466 C TRP A 31 3.236 -13.989 -8.654 1.00 0.00 C ATOM 467 O TRP A 31 2.423 -13.822 -7.744 1.00 0.00 O ATOM 468 CB TRP A 31 3.430 -12.167 -10.357 1.00 0.00 C ATOM 469 CG TRP A 31 4.370 -11.327 -11.167 1.00 0.00 C ATOM 470 CD1 TRP A 31 4.530 -11.352 -12.524 1.00 0.00 C ATOM 471 CD2 TRP A 31 5.281 -10.340 -10.673 1.00 0.00 C ATOM 472 NE1 TRP A 31 5.485 -10.440 -12.901 1.00 0.00 N ATOM 473 CE2 TRP A 31 5.961 -9.805 -11.785 1.00 0.00 C ATOM 474 CE3 TRP A 31 5.588 -9.853 -9.399 1.00 0.00 C ATOM 475 CZ2 TRP A 31 6.927 -8.811 -11.659 1.00 0.00 C ATOM 476 CZ3 TRP A 31 6.547 -8.867 -9.275 1.00 0.00 C ATOM 477 CH2 TRP A 31 7.208 -8.354 -10.400 1.00 0.00 C ATOM 0 H TRP A 31 5.560 -13.502 -10.502 1.00 0.00 H new ATOM 0 HA TRP A 31 4.196 -12.106 -8.349 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.998 -12.936 -10.997 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.607 -11.544 -10.007 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.986 -11.994 -13.200 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.791 -10.264 -13.858 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.084 -10.241 -8.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.437 -8.414 -12.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.792 -8.485 -8.295 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.953 -7.583 -10.271 1.00 0.00 H new ATOM 488 N THR A 32 3.419 -15.161 -9.254 1.00 0.00 N ATOM 489 CA THR A 32 2.657 -16.343 -8.870 1.00 0.00 C ATOM 490 C THR A 32 2.865 -16.677 -7.397 1.00 0.00 C ATOM 491 O THR A 32 1.933 -17.088 -6.705 1.00 0.00 O ATOM 492 CB THR A 32 3.049 -17.565 -9.722 1.00 0.00 C ATOM 493 OG1 THR A 32 3.317 -17.158 -11.068 1.00 0.00 O ATOM 494 CG2 THR A 32 1.942 -18.609 -9.713 1.00 0.00 C ATOM 0 H THR A 32 4.088 -15.317 -10.008 1.00 0.00 H new ATOM 0 HA THR A 32 1.606 -16.111 -9.042 1.00 0.00 H new ATOM 0 HB THR A 32 3.947 -18.007 -9.291 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.567 -17.940 -11.603 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.242 -19.462 -10.321 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.761 -18.938 -8.690 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.029 -18.175 -10.121 1.00 0.00 H new ATOM 502 N LYS A 33 4.093 -16.497 -6.922 1.00 0.00 N ATOM 503 CA LYS A 33 4.424 -16.777 -5.530 1.00 0.00 C ATOM 504 C LYS A 33 3.896 -15.678 -4.614 1.00 0.00 C ATOM 505 O LYS A 33 3.059 -15.929 -3.746 1.00 0.00 O ATOM 506 CB LYS A 33 5.939 -16.913 -5.362 1.00 0.00 C ATOM 507 CG LYS A 33 6.468 -18.294 -5.705 1.00 0.00 C ATOM 508 CD LYS A 33 7.833 -18.539 -5.084 1.00 0.00 C ATOM 509 CE LYS A 33 8.098 -20.024 -4.887 1.00 0.00 C ATOM 510 NZ LYS A 33 9.165 -20.267 -3.877 1.00 0.00 N ATOM 0 H LYS A 33 4.876 -16.158 -7.481 1.00 0.00 H new ATOM 0 HA LYS A 33 3.948 -17.717 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.434 -16.176 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.204 -16.677 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.767 -19.051 -5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.536 -18.400 -6.788 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.606 -18.112 -5.723 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.894 -18.027 -4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.179 -20.518 -4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.389 -20.470 -5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.912 -21.092 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.067 -20.448 -4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.262 -19.431 -3.267 1.00 0.00 H new ATOM 524 N ILE A 34 4.390 -14.461 -4.813 1.00 0.00 N ATOM 525 CA ILE A 34 3.966 -13.323 -4.006 1.00 0.00 C ATOM 526 C ILE A 34 2.450 -13.304 -3.837 1.00 0.00 C ATOM 527 O ILE A 34 1.941 -13.141 -2.728 1.00 0.00 O ATOM 528 CB ILE A 34 4.418 -11.990 -4.630 1.00 0.00 C ATOM 529 CG1 ILE A 34 5.942 -11.956 -4.764 1.00 0.00 C ATOM 530 CG2 ILE A 34 3.929 -10.819 -3.790 1.00 0.00 C ATOM 531 CD1 ILE A 34 6.445 -10.838 -5.650 1.00 0.00 C ATOM 0 H ILE A 34 5.084 -14.237 -5.526 1.00 0.00 H new ATOM 0 HA ILE A 34 4.437 -13.436 -3.030 1.00 0.00 H new ATOM 0 HB ILE A 34 3.982 -11.905 -5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.384 -11.850 -3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.285 -12.910 -5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.256 -9.884 -4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.840 -10.837 -3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.340 -10.897 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.533 -10.875 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.032 -10.954 -6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.133 -9.879 -5.238 1.00 0.00 H new ATOM 543 N SER A 35 1.735 -13.474 -4.944 1.00 0.00 N ATOM 544 CA SER A 35 0.277 -13.475 -4.919 1.00 0.00 C ATOM 545 C SER A 35 -0.246 -14.264 -3.722 1.00 0.00 C ATOM 546 O SER A 35 -1.025 -13.752 -2.918 1.00 0.00 O ATOM 547 CB SER A 35 -0.276 -14.068 -6.216 1.00 0.00 C ATOM 548 OG SER A 35 -1.647 -14.403 -6.080 1.00 0.00 O ATOM 0 H SER A 35 2.141 -13.613 -5.869 1.00 0.00 H new ATOM 0 HA SER A 35 -0.061 -12.443 -4.827 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.152 -13.352 -7.029 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.294 -14.957 -6.485 1.00 0.00 H new ATOM 0 HG SER A 35 -1.858 -15.162 -6.663 1.00 0.00 H new ATOM 554 N LYS A 36 0.188 -15.514 -3.611 1.00 0.00 N ATOM 555 CA LYS A 36 -0.233 -16.376 -2.513 1.00 0.00 C ATOM 556 C LYS A 36 0.088 -15.737 -1.165 1.00 0.00 C ATOM 557 O LYS A 36 -0.795 -15.557 -0.326 1.00 0.00 O ATOM 558 CB LYS A 36 0.450 -17.742 -2.618 1.00 0.00 C ATOM 559 CG LYS A 36 -0.350 -18.872 -1.994 1.00 0.00 C ATOM 560 CD LYS A 36 0.503 -20.114 -1.793 1.00 0.00 C ATOM 561 CE LYS A 36 0.625 -20.919 -3.077 1.00 0.00 C ATOM 562 NZ LYS A 36 -0.528 -21.842 -3.265 1.00 0.00 N ATOM 0 H LYS A 36 0.832 -15.954 -4.269 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.312 -16.510 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.627 -17.971 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.426 -17.689 -2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.753 -18.547 -1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.200 -19.113 -2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.496 -19.823 -1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.064 -20.736 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.688 -20.239 -3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.551 -21.494 -3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.407 -22.372 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.574 -22.507 -2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.410 -21.292 -3.308 1.00 0.00 H new ATOM 576 N LEU A 37 1.356 -15.395 -0.966 1.00 0.00 N ATOM 577 CA LEU A 37 1.793 -14.774 0.280 1.00 0.00 C ATOM 578 C LEU A 37 0.765 -13.762 0.774 1.00 0.00 C ATOM 579 O LEU A 37 0.259 -13.871 1.892 1.00 0.00 O ATOM 580 CB LEU A 37 3.147 -14.089 0.083 1.00 0.00 C ATOM 581 CG LEU A 37 3.843 -13.600 1.354 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.197 -14.774 2.253 1.00 0.00 C ATOM 583 CD2 LEU A 37 5.088 -12.798 1.005 1.00 0.00 C ATOM 0 H LEU A 37 2.099 -15.537 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 37 1.894 -15.557 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.813 -14.785 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.007 -13.236 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 37 3.156 -12.949 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.691 -14.407 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.288 -15.307 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.866 -15.451 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.571 -12.458 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.779 -13.426 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.807 -11.935 0.401 1.00 0.00 H new ATOM 595 N ILE A 38 0.459 -12.779 -0.066 1.00 0.00 N ATOM 596 CA ILE A 38 -0.512 -11.750 0.285 1.00 0.00 C ATOM 597 C ILE A 38 -1.910 -12.340 0.434 1.00 0.00 C ATOM 598 O ILE A 38 -2.599 -12.091 1.422 1.00 0.00 O ATOM 599 CB ILE A 38 -0.550 -10.629 -0.770 1.00 0.00 C ATOM 600 CG1 ILE A 38 0.857 -10.076 -1.010 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.493 -9.519 -0.330 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.949 -9.160 -2.210 1.00 0.00 C ATOM 0 H ILE A 38 0.869 -12.673 -0.994 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.195 -11.330 1.239 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.921 -11.045 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.181 -9.533 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.548 -10.908 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.509 -8.734 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.498 -9.923 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.149 -9.103 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.974 -8.806 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.656 -9.705 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.284 -8.308 -2.069 1.00 0.00 H new ATOM 614 N GLY A 39 -2.323 -13.126 -0.556 1.00 0.00 N ATOM 615 CA GLY A 39 -3.636 -13.742 -0.516 1.00 0.00 C ATOM 616 C GLY A 39 -4.734 -12.797 -0.963 1.00 0.00 C ATOM 617 O GLY A 39 -5.600 -13.170 -1.754 1.00 0.00 O ATOM 0 H GLY A 39 -1.771 -13.347 -1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.639 -14.625 -1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.844 -14.081 0.499 1.00 0.00 H new ATOM 621 N SER A 40 -4.699 -11.570 -0.453 1.00 0.00 N ATOM 622 CA SER A 40 -5.702 -10.569 -0.800 1.00 0.00 C ATOM 623 C SER A 40 -5.696 -10.292 -2.301 1.00 0.00 C ATOM 624 O SER A 40 -6.723 -10.408 -2.969 1.00 0.00 O ATOM 625 CB SER A 40 -5.448 -9.273 -0.029 1.00 0.00 C ATOM 626 OG SER A 40 -6.401 -8.281 -0.371 1.00 0.00 O ATOM 0 H SER A 40 -3.987 -11.245 0.202 1.00 0.00 H new ATOM 0 HA SER A 40 -6.681 -10.960 -0.524 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.491 -9.469 1.042 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.444 -8.908 -0.246 1.00 0.00 H new ATOM 0 HG SER A 40 -6.218 -7.463 0.136 1.00 0.00 H new ATOM 632 N ARG A 41 -4.530 -9.923 -2.823 1.00 0.00 N ATOM 633 CA ARG A 41 -4.389 -9.628 -4.244 1.00 0.00 C ATOM 634 C ARG A 41 -4.369 -10.912 -5.067 1.00 0.00 C ATOM 635 O ARG A 41 -4.426 -12.014 -4.521 1.00 0.00 O ATOM 636 CB ARG A 41 -3.110 -8.828 -4.495 1.00 0.00 C ATOM 637 CG ARG A 41 -3.114 -7.453 -3.847 1.00 0.00 C ATOM 638 CD ARG A 41 -3.899 -6.448 -4.676 1.00 0.00 C ATOM 639 NE ARG A 41 -5.316 -6.436 -4.324 1.00 0.00 N ATOM 640 CZ ARG A 41 -6.116 -5.396 -4.534 1.00 0.00 C ATOM 641 NH1 ARG A 41 -5.641 -4.292 -5.092 1.00 0.00 N ATOM 642 NH2 ARG A 41 -7.395 -5.461 -4.186 1.00 0.00 N ATOM 0 H ARG A 41 -3.670 -9.821 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.248 -9.033 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.258 -9.395 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.968 -8.713 -5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.548 -7.521 -2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.089 -7.104 -3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.481 -5.452 -4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.790 -6.687 -5.734 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.713 -7.271 -3.894 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.659 -4.239 -5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.258 -3.495 -5.252 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.764 -6.310 -3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.009 -4.662 -4.347 1.00 0.00 H new ATOM 656 N THR A 42 -4.288 -10.763 -6.386 1.00 0.00 N ATOM 657 CA THR A 42 -4.262 -11.909 -7.285 1.00 0.00 C ATOM 658 C THR A 42 -3.170 -11.758 -8.338 1.00 0.00 C ATOM 659 O THR A 42 -2.831 -10.645 -8.739 1.00 0.00 O ATOM 660 CB THR A 42 -5.618 -12.101 -7.991 1.00 0.00 C ATOM 661 OG1 THR A 42 -5.958 -10.920 -8.726 1.00 0.00 O ATOM 662 CG2 THR A 42 -6.714 -12.410 -6.983 1.00 0.00 C ATOM 0 H THR A 42 -4.239 -9.858 -6.855 1.00 0.00 H new ATOM 0 HA THR A 42 -4.053 -12.786 -6.672 1.00 0.00 H new ATOM 0 HB THR A 42 -5.530 -12.943 -8.677 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.808 -11.059 -9.194 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.662 -12.541 -7.505 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.466 -13.325 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.801 -11.585 -6.276 1.00 0.00 H new ATOM 670 N VAL A 43 -2.623 -12.885 -8.782 1.00 0.00 N ATOM 671 CA VAL A 43 -1.570 -12.877 -9.791 1.00 0.00 C ATOM 672 C VAL A 43 -1.776 -11.746 -10.792 1.00 0.00 C ATOM 673 O VAL A 43 -0.830 -11.051 -11.165 1.00 0.00 O ATOM 674 CB VAL A 43 -1.511 -14.215 -10.551 1.00 0.00 C ATOM 675 CG1 VAL A 43 -0.447 -14.166 -11.637 1.00 0.00 C ATOM 676 CG2 VAL A 43 -1.248 -15.363 -9.587 1.00 0.00 C ATOM 0 H VAL A 43 -2.891 -13.815 -8.459 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.628 -12.725 -9.264 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.476 -14.385 -11.029 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.420 -15.120 -12.163 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.683 -13.369 -12.342 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.526 -13.973 -11.185 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.209 -16.301 -10.140 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.297 -15.201 -9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.049 -15.410 -8.849 1.00 0.00 H new ATOM 686 N LEU A 44 -3.019 -11.565 -11.224 1.00 0.00 N ATOM 687 CA LEU A 44 -3.351 -10.517 -12.183 1.00 0.00 C ATOM 688 C LEU A 44 -3.092 -9.135 -11.591 1.00 0.00 C ATOM 689 O LEU A 44 -2.264 -8.379 -12.097 1.00 0.00 O ATOM 690 CB LEU A 44 -4.815 -10.635 -12.611 1.00 0.00 C ATOM 691 CG LEU A 44 -5.244 -11.991 -13.170 1.00 0.00 C ATOM 692 CD1 LEU A 44 -6.742 -12.010 -13.435 1.00 0.00 C ATOM 693 CD2 LEU A 44 -4.472 -12.312 -14.442 1.00 0.00 C ATOM 0 H LEU A 44 -3.814 -12.130 -10.925 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.712 -10.643 -13.057 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.444 -10.404 -11.751 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.014 -9.874 -13.365 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.017 -12.756 -12.428 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.029 -12.983 -13.833 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.279 -11.826 -12.504 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.993 -11.234 -14.158 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.790 -13.281 -14.826 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.667 -11.543 -15.190 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.405 -12.342 -14.222 1.00 0.00 H new ATOM 705 N GLN A 45 -3.805 -8.815 -10.515 1.00 0.00 N ATOM 706 CA GLN A 45 -3.650 -7.525 -9.853 1.00 0.00 C ATOM 707 C GLN A 45 -2.181 -7.235 -9.563 1.00 0.00 C ATOM 708 O GLN A 45 -1.697 -6.128 -9.802 1.00 0.00 O ATOM 709 CB GLN A 45 -4.455 -7.495 -8.553 1.00 0.00 C ATOM 710 CG GLN A 45 -5.915 -7.122 -8.750 1.00 0.00 C ATOM 711 CD GLN A 45 -6.791 -8.324 -9.042 1.00 0.00 C ATOM 712 OE1 GLN A 45 -6.781 -8.858 -10.152 1.00 0.00 O ATOM 713 NE2 GLN A 45 -7.555 -8.757 -8.046 1.00 0.00 N ATOM 0 H GLN A 45 -4.495 -9.431 -10.084 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.028 -6.753 -10.523 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.400 -8.475 -8.079 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.996 -6.783 -7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.281 -6.619 -7.855 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.996 -6.410 -9.571 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.532 -8.284 -7.143 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.165 -9.562 -8.184 1.00 0.00 H new ATOM 722 N VAL A 46 -1.476 -8.236 -9.046 1.00 0.00 N ATOM 723 CA VAL A 46 -0.062 -8.089 -8.723 1.00 0.00 C ATOM 724 C VAL A 46 0.757 -7.779 -9.971 1.00 0.00 C ATOM 725 O VAL A 46 1.544 -6.832 -9.993 1.00 0.00 O ATOM 726 CB VAL A 46 0.497 -9.360 -8.058 1.00 0.00 C ATOM 727 CG1 VAL A 46 1.979 -9.196 -7.753 1.00 0.00 C ATOM 728 CG2 VAL A 46 -0.283 -9.686 -6.793 1.00 0.00 C ATOM 0 H VAL A 46 -1.861 -9.158 -8.842 1.00 0.00 H new ATOM 0 HA VAL A 46 0.018 -7.257 -8.023 1.00 0.00 H new ATOM 0 HB VAL A 46 0.384 -10.192 -8.752 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.356 -10.104 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.523 -9.014 -8.680 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.120 -8.352 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.125 -10.587 -6.336 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.203 -8.855 -6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.331 -9.849 -7.044 1.00 0.00 H new ATOM 738 N LYS A 47 0.567 -8.584 -11.011 1.00 0.00 N ATOM 739 CA LYS A 47 1.286 -8.396 -12.266 1.00 0.00 C ATOM 740 C LYS A 47 1.246 -6.935 -12.703 1.00 0.00 C ATOM 741 O LYS A 47 2.286 -6.300 -12.873 1.00 0.00 O ATOM 742 CB LYS A 47 0.686 -9.283 -13.359 1.00 0.00 C ATOM 743 CG LYS A 47 1.249 -10.694 -13.375 1.00 0.00 C ATOM 744 CD LYS A 47 0.269 -11.678 -13.991 1.00 0.00 C ATOM 745 CE LYS A 47 0.175 -11.502 -15.498 1.00 0.00 C ATOM 746 NZ LYS A 47 1.185 -12.327 -16.217 1.00 0.00 N ATOM 0 H LYS A 47 -0.079 -9.373 -11.010 1.00 0.00 H new ATOM 0 HA LYS A 47 2.326 -8.680 -12.106 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.394 -9.333 -13.222 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.863 -8.819 -14.329 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.182 -10.708 -13.938 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.486 -11.004 -12.357 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.582 -12.697 -13.762 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.716 -11.539 -13.545 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.825 -11.777 -15.834 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.318 -10.451 -15.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.088 -12.179 -17.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.140 -12.047 -15.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.033 -13.332 -15.997 1.00 0.00 H new ATOM 760 N SER A 48 0.039 -6.409 -12.882 1.00 0.00 N ATOM 761 CA SER A 48 -0.136 -5.023 -13.301 1.00 0.00 C ATOM 762 C SER A 48 0.480 -4.066 -12.285 1.00 0.00 C ATOM 763 O SER A 48 1.371 -3.283 -12.615 1.00 0.00 O ATOM 764 CB SER A 48 -1.622 -4.706 -13.481 1.00 0.00 C ATOM 765 OG SER A 48 -2.262 -5.695 -14.269 1.00 0.00 O ATOM 0 H SER A 48 -0.832 -6.921 -12.744 1.00 0.00 H new ATOM 0 HA SER A 48 0.375 -4.891 -14.255 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.105 -4.645 -12.506 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.734 -3.730 -13.954 1.00 0.00 H new ATOM 0 HG SER A 48 -3.211 -5.471 -14.368 1.00 0.00 H new ATOM 771 N TYR A 49 -0.001 -4.136 -11.049 1.00 0.00 N ATOM 772 CA TYR A 49 0.500 -3.275 -9.984 1.00 0.00 C ATOM 773 C TYR A 49 2.019 -3.154 -10.051 1.00 0.00 C ATOM 774 O TYR A 49 2.564 -2.051 -10.082 1.00 0.00 O ATOM 775 CB TYR A 49 0.079 -3.820 -8.619 1.00 0.00 C ATOM 776 CG TYR A 49 1.026 -3.447 -7.500 1.00 0.00 C ATOM 777 CD1 TYR A 49 0.958 -2.200 -6.892 1.00 0.00 C ATOM 778 CD2 TYR A 49 1.990 -4.342 -7.052 1.00 0.00 C ATOM 779 CE1 TYR A 49 1.822 -1.855 -5.871 1.00 0.00 C ATOM 780 CE2 TYR A 49 2.857 -4.006 -6.030 1.00 0.00 C ATOM 781 CZ TYR A 49 2.769 -2.761 -5.443 1.00 0.00 C ATOM 782 OH TYR A 49 3.631 -2.422 -4.426 1.00 0.00 O ATOM 0 H TYR A 49 -0.737 -4.780 -10.760 1.00 0.00 H new ATOM 0 HA TYR A 49 0.069 -2.283 -10.120 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.917 -3.448 -8.380 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.008 -4.906 -8.677 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.217 -1.488 -7.223 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.063 -5.317 -7.511 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.756 -0.880 -5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.599 -4.714 -5.693 1.00 0.00 H new ATOM 0 HH TYR A 49 4.213 -3.184 -4.223 1.00 0.00 H new ATOM 792 N ALA A 50 2.696 -4.297 -10.072 1.00 0.00 N ATOM 793 CA ALA A 50 4.152 -4.321 -10.138 1.00 0.00 C ATOM 794 C ALA A 50 4.684 -3.158 -10.969 1.00 0.00 C ATOM 795 O ALA A 50 5.726 -2.583 -10.654 1.00 0.00 O ATOM 796 CB ALA A 50 4.633 -5.645 -10.712 1.00 0.00 C ATOM 0 H ALA A 50 2.260 -5.219 -10.044 1.00 0.00 H new ATOM 0 HA ALA A 50 4.538 -4.215 -9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.722 -5.649 -10.755 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.292 -6.462 -10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.230 -5.774 -11.716 1.00 0.00 H new ATOM 802 N ARG A 51 3.961 -2.817 -12.031 1.00 0.00 N ATOM 803 CA ARG A 51 4.362 -1.723 -12.908 1.00 0.00 C ATOM 804 C ARG A 51 3.959 -0.376 -12.316 1.00 0.00 C ATOM 805 O ARG A 51 4.745 0.571 -12.315 1.00 0.00 O ATOM 806 CB ARG A 51 3.731 -1.894 -14.291 1.00 0.00 C ATOM 807 CG ARG A 51 3.895 -3.291 -14.867 1.00 0.00 C ATOM 808 CD ARG A 51 3.780 -3.285 -16.384 1.00 0.00 C ATOM 809 NE ARG A 51 4.456 -4.429 -16.988 1.00 0.00 N ATOM 810 CZ ARG A 51 4.672 -4.550 -18.293 1.00 0.00 C ATOM 811 NH1 ARG A 51 4.268 -3.602 -19.126 1.00 0.00 N ATOM 812 NH2 ARG A 51 5.295 -5.622 -18.767 1.00 0.00 N ATOM 0 H ARG A 51 3.095 -3.282 -12.305 1.00 0.00 H new ATOM 0 HA ARG A 51 5.447 -1.747 -13.005 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.669 -1.659 -14.228 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.177 -1.173 -14.976 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.865 -3.694 -14.576 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.136 -3.951 -14.446 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.728 -3.294 -16.668 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.208 -2.362 -16.776 1.00 0.00 H new ATOM 0 HE ARG A 51 4.780 -5.176 -16.374 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.790 -2.776 -18.766 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.435 -3.698 -20.128 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.608 -6.354 -18.129 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.460 -5.714 -19.769 1.00 0.00 H new ATOM 826 N GLN A 52 2.731 -0.299 -11.814 1.00 0.00 N ATOM 827 CA GLN A 52 2.224 0.933 -11.221 1.00 0.00 C ATOM 828 C GLN A 52 3.164 1.438 -10.131 1.00 0.00 C ATOM 829 O GLN A 52 3.393 2.641 -10.004 1.00 0.00 O ATOM 830 CB GLN A 52 0.827 0.707 -10.642 1.00 0.00 C ATOM 831 CG GLN A 52 -0.048 1.950 -10.661 1.00 0.00 C ATOM 832 CD GLN A 52 0.120 2.802 -9.419 1.00 0.00 C ATOM 833 OE1 GLN A 52 1.024 3.635 -9.341 1.00 0.00 O ATOM 834 NE2 GLN A 52 -0.751 2.598 -8.438 1.00 0.00 N ATOM 0 H GLN A 52 2.069 -1.075 -11.806 1.00 0.00 H new ATOM 0 HA GLN A 52 2.167 1.688 -12.005 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.333 -0.084 -11.206 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.921 0.355 -9.615 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.194 2.546 -11.541 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.093 1.653 -10.754 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.485 1.897 -8.545 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.687 3.142 -7.578 1.00 0.00 H new ATOM 843 N TYR A 53 3.705 0.513 -9.347 1.00 0.00 N ATOM 844 CA TYR A 53 4.617 0.865 -8.266 1.00 0.00 C ATOM 845 C TYR A 53 5.857 1.571 -8.808 1.00 0.00 C ATOM 846 O TYR A 53 6.109 2.735 -8.495 1.00 0.00 O ATOM 847 CB TYR A 53 5.028 -0.387 -7.489 1.00 0.00 C ATOM 848 CG TYR A 53 6.037 -0.117 -6.395 1.00 0.00 C ATOM 849 CD1 TYR A 53 5.823 0.888 -5.460 1.00 0.00 C ATOM 850 CD2 TYR A 53 7.203 -0.865 -6.298 1.00 0.00 C ATOM 851 CE1 TYR A 53 6.742 1.139 -4.459 1.00 0.00 C ATOM 852 CE2 TYR A 53 8.126 -0.623 -5.299 1.00 0.00 C ATOM 853 CZ TYR A 53 7.892 0.381 -4.383 1.00 0.00 C ATOM 854 OH TYR A 53 8.810 0.627 -3.388 1.00 0.00 O ATOM 0 H TYR A 53 3.528 -0.487 -9.440 1.00 0.00 H new ATOM 0 HA TYR A 53 4.097 1.547 -7.594 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.139 -0.839 -7.049 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.445 -1.115 -8.184 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.923 1.483 -5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.391 -1.649 -7.016 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.561 1.924 -3.740 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.026 -1.217 -5.236 1.00 0.00 H new ATOM 0 HH TYR A 53 9.562 0.005 -3.475 1.00 0.00 H new ATOM 864 N PHE A 54 6.627 0.858 -9.623 1.00 0.00 N ATOM 865 CA PHE A 54 7.841 1.414 -10.209 1.00 0.00 C ATOM 866 C PHE A 54 7.606 2.842 -10.693 1.00 0.00 C ATOM 867 O PHE A 54 8.427 3.730 -10.467 1.00 0.00 O ATOM 868 CB PHE A 54 8.317 0.541 -11.371 1.00 0.00 C ATOM 869 CG PHE A 54 8.721 -0.844 -10.954 1.00 0.00 C ATOM 870 CD1 PHE A 54 9.753 -1.037 -10.050 1.00 0.00 C ATOM 871 CD2 PHE A 54 8.069 -1.954 -11.467 1.00 0.00 C ATOM 872 CE1 PHE A 54 10.127 -2.310 -9.664 1.00 0.00 C ATOM 873 CE2 PHE A 54 8.438 -3.229 -11.084 1.00 0.00 C ATOM 874 CZ PHE A 54 9.469 -3.408 -10.183 1.00 0.00 C ATOM 0 H PHE A 54 6.432 -0.106 -9.893 1.00 0.00 H new ATOM 0 HA PHE A 54 8.612 1.433 -9.438 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.521 0.471 -12.112 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.163 1.027 -11.857 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.272 -0.182 -9.642 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.264 -1.821 -12.174 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.933 -2.446 -8.958 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.920 -4.086 -11.489 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.760 -4.404 -9.885 1.00 0.00 H new ATOM 884 N LYS A 55 6.478 3.055 -11.362 1.00 0.00 N ATOM 885 CA LYS A 55 6.132 4.374 -11.879 1.00 0.00 C ATOM 886 C LYS A 55 5.759 5.323 -10.745 1.00 0.00 C ATOM 887 O LYS A 55 6.136 6.493 -10.753 1.00 0.00 O ATOM 888 CB LYS A 55 4.971 4.267 -12.871 1.00 0.00 C ATOM 889 CG LYS A 55 4.778 5.514 -13.717 1.00 0.00 C ATOM 890 CD LYS A 55 3.595 5.369 -14.661 1.00 0.00 C ATOM 891 CE LYS A 55 3.917 4.438 -15.819 1.00 0.00 C ATOM 892 NZ LYS A 55 4.973 5.000 -16.706 1.00 0.00 N ATOM 0 H LYS A 55 5.787 2.331 -11.559 1.00 0.00 H new ATOM 0 HA LYS A 55 7.006 4.776 -12.392 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.143 3.415 -13.529 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.052 4.065 -12.321 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.623 6.375 -13.067 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.683 5.708 -14.293 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.735 4.985 -14.112 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.314 6.349 -15.048 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.245 3.474 -15.430 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.013 4.256 -16.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.942 4.521 -17.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.809 6.018 -16.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.906 4.853 -16.271 1.00 0.00 H new ATOM 906 N ASN A 56 5.016 4.808 -9.769 1.00 0.00 N ATOM 907 CA ASN A 56 4.593 5.610 -8.627 1.00 0.00 C ATOM 908 C ASN A 56 5.785 5.971 -7.745 1.00 0.00 C ATOM 909 O ASN A 56 5.751 6.959 -7.010 1.00 0.00 O ATOM 910 CB ASN A 56 3.547 4.854 -7.806 1.00 0.00 C ATOM 911 CG ASN A 56 2.622 5.786 -7.049 1.00 0.00 C ATOM 912 OD1 ASN A 56 1.534 6.117 -7.520 1.00 0.00 O ATOM 913 ND2 ASN A 56 3.051 6.215 -5.867 1.00 0.00 N ATOM 0 H ASN A 56 4.695 3.840 -9.747 1.00 0.00 H new ATOM 0 HA ASN A 56 4.151 6.532 -9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.957 4.221 -8.469 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.051 4.194 -7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.471 6.844 -5.312 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.960 5.915 -5.515 1.00 0.00 H new ATOM 920 N LYS A 57 6.838 5.165 -7.823 1.00 0.00 N ATOM 921 CA LYS A 57 8.041 5.398 -7.034 1.00 0.00 C ATOM 922 C LYS A 57 8.519 6.840 -7.184 1.00 0.00 C ATOM 923 O LYS A 57 7.887 7.645 -7.868 1.00 0.00 O ATOM 924 CB LYS A 57 9.151 4.435 -7.462 1.00 0.00 C ATOM 925 CG LYS A 57 8.914 3.001 -7.024 1.00 0.00 C ATOM 926 CD LYS A 57 10.222 2.251 -6.836 1.00 0.00 C ATOM 927 CE LYS A 57 11.041 2.230 -8.118 1.00 0.00 C ATOM 928 NZ LYS A 57 11.950 3.405 -8.216 1.00 0.00 N ATOM 0 H LYS A 57 6.882 4.343 -8.426 1.00 0.00 H new ATOM 0 HA LYS A 57 7.798 5.221 -5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.247 4.463 -8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.099 4.780 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.352 2.993 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.304 2.489 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.801 2.720 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.014 1.229 -6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.628 1.313 -8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.370 2.217 -8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.834 3.122 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.489 4.155 -8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.162 3.760 -7.262 1.00 0.00 H new ATOM 942 N VAL A 58 9.638 7.157 -6.541 1.00 0.00 N ATOM 943 CA VAL A 58 10.201 8.501 -6.605 1.00 0.00 C ATOM 944 C VAL A 58 9.103 9.558 -6.608 1.00 0.00 C ATOM 945 O VAL A 58 9.277 10.649 -7.150 1.00 0.00 O ATOM 946 CB VAL A 58 11.077 8.683 -7.859 1.00 0.00 C ATOM 947 CG1 VAL A 58 10.241 8.532 -9.121 1.00 0.00 C ATOM 948 CG2 VAL A 58 11.774 10.035 -7.830 1.00 0.00 C ATOM 0 H VAL A 58 10.173 6.502 -5.970 1.00 0.00 H new ATOM 0 HA VAL A 58 10.820 8.627 -5.717 1.00 0.00 H new ATOM 0 HB VAL A 58 11.841 7.906 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.877 8.664 -9.997 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.793 7.539 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.453 9.285 -9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 58 12.389 10.147 -8.723 1.00 0.00 H new ATOM 0 HG22 VAL A 58 11.027 10.829 -7.802 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.406 10.100 -6.944 1.00 0.00 H new ATOM 958 N LYS A 59 7.970 9.227 -5.998 1.00 0.00 N ATOM 959 CA LYS A 59 6.841 10.147 -5.928 1.00 0.00 C ATOM 960 C LYS A 59 7.288 11.519 -5.430 1.00 0.00 C ATOM 961 O LYS A 59 8.440 11.701 -5.035 1.00 0.00 O ATOM 962 CB LYS A 59 5.756 9.587 -5.005 1.00 0.00 C ATOM 963 CG LYS A 59 6.258 9.248 -3.612 1.00 0.00 C ATOM 964 CD LYS A 59 6.170 10.445 -2.681 1.00 0.00 C ATOM 965 CE LYS A 59 5.963 10.014 -1.237 1.00 0.00 C ATOM 966 NZ LYS A 59 5.193 11.026 -0.461 1.00 0.00 N ATOM 0 H LYS A 59 7.809 8.328 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 59 6.433 10.259 -6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.949 10.315 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.333 8.690 -5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.672 8.424 -3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.291 8.906 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.083 11.035 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.347 11.089 -2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.435 9.061 -1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.932 9.853 -0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.073 10.695 0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.709 11.929 -0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.259 11.161 -0.898 1.00 0.00 H new ATOM 980 N CYS A 60 6.370 12.478 -5.452 1.00 0.00 N ATOM 981 CA CYS A 60 6.669 13.833 -5.002 1.00 0.00 C ATOM 982 C CYS A 60 7.006 13.850 -3.514 1.00 0.00 C ATOM 983 O CYS A 60 6.124 14.001 -2.670 1.00 0.00 O ATOM 984 CB CYS A 60 5.484 14.759 -5.280 1.00 0.00 C ATOM 985 SG CYS A 60 5.403 15.363 -6.983 1.00 0.00 S ATOM 0 H CYS A 60 5.412 12.343 -5.776 1.00 0.00 H new ATOM 0 HA CYS A 60 7.537 14.190 -5.557 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.560 14.228 -5.050 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.538 15.613 -4.605 1.00 0.00 H new ATOM 0 HG CYS A 60 4.367 16.136 -7.120 1.00 0.00 H new ATOM 991 N GLY A 61 8.288 13.693 -3.200 1.00 0.00 N ATOM 992 CA GLY A 61 8.718 13.692 -1.814 1.00 0.00 C ATOM 993 C GLY A 61 10.224 13.786 -1.674 1.00 0.00 C ATOM 994 O GLY A 61 10.737 14.662 -0.976 1.00 0.00 O ATOM 0 H GLY A 61 9.037 13.566 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.255 14.530 -1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.367 12.781 -1.329 1.00 0.00 H new ATOM 998 N LEU A 62 10.936 12.882 -2.338 1.00 0.00 N ATOM 999 CA LEU A 62 12.394 12.865 -2.283 1.00 0.00 C ATOM 1000 C LEU A 62 12.883 12.752 -0.843 1.00 0.00 C ATOM 1001 O LEU A 62 13.818 13.444 -0.439 1.00 0.00 O ATOM 1002 CB LEU A 62 12.962 14.129 -2.930 1.00 0.00 C ATOM 1003 CG LEU A 62 13.209 14.059 -4.437 1.00 0.00 C ATOM 1004 CD1 LEU A 62 13.187 15.452 -5.047 1.00 0.00 C ATOM 1005 CD2 LEU A 62 14.534 13.369 -4.729 1.00 0.00 C ATOM 0 H LEU A 62 10.528 12.151 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 62 12.745 11.993 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.277 14.953 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.904 14.373 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 62 12.409 13.473 -4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.365 15.382 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.215 15.912 -4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.966 16.062 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.693 13.328 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 62 15.346 13.928 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.513 12.356 -4.327 1.00 0.00 H new ATOM 1017 N ASP A 63 12.247 11.875 -0.074 1.00 0.00 N ATOM 1018 CA ASP A 63 12.620 11.669 1.320 1.00 0.00 C ATOM 1019 C ASP A 63 14.006 11.040 1.425 1.00 0.00 C ATOM 1020 O ASP A 63 14.552 10.546 0.438 1.00 0.00 O ATOM 1021 CB ASP A 63 11.589 10.782 2.020 1.00 0.00 C ATOM 1022 CG ASP A 63 10.358 11.554 2.451 1.00 0.00 C ATOM 1023 OD1 ASP A 63 10.351 12.076 3.586 1.00 0.00 O ATOM 1024 OD2 ASP A 63 9.401 11.638 1.653 1.00 0.00 O ATOM 0 H ASP A 63 11.471 11.295 -0.393 1.00 0.00 H new ATOM 0 HA ASP A 63 12.645 12.642 1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.292 9.976 1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.047 10.317 2.893 1.00 0.00 H new ATOM 1029 N LYS A 64 14.571 11.063 2.628 1.00 0.00 N ATOM 1030 CA LYS A 64 15.893 10.495 2.863 1.00 0.00 C ATOM 1031 C LYS A 64 15.828 8.972 2.925 1.00 0.00 C ATOM 1032 O LYS A 64 14.853 8.404 3.417 1.00 0.00 O ATOM 1033 CB LYS A 64 16.482 11.044 4.164 1.00 0.00 C ATOM 1034 CG LYS A 64 16.964 12.481 4.054 1.00 0.00 C ATOM 1035 CD LYS A 64 15.858 13.467 4.393 1.00 0.00 C ATOM 1036 CE LYS A 64 15.763 13.702 5.893 1.00 0.00 C ATOM 1037 NZ LYS A 64 15.225 15.055 6.209 1.00 0.00 N ATOM 0 H LYS A 64 14.134 11.469 3.455 1.00 0.00 H new ATOM 0 HA LYS A 64 16.537 10.780 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.729 10.981 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.316 10.412 4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.809 12.635 4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.323 12.669 3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.045 14.414 3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.905 13.089 4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.121 12.942 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.750 13.590 6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.176 15.177 7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.851 15.781 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.273 15.153 5.803 1.00 0.00 H new ATOM 1051 N GLU A 65 16.872 8.318 2.426 1.00 0.00 N ATOM 1052 CA GLU A 65 16.932 6.861 2.427 1.00 0.00 C ATOM 1053 C GLU A 65 18.370 6.376 2.268 1.00 0.00 C ATOM 1054 O GLU A 65 19.089 6.809 1.367 1.00 0.00 O ATOM 1055 CB GLU A 65 16.064 6.293 1.302 1.00 0.00 C ATOM 1056 CG GLU A 65 16.043 4.774 1.258 1.00 0.00 C ATOM 1057 CD GLU A 65 15.238 4.235 0.092 1.00 0.00 C ATOM 1058 OE1 GLU A 65 15.656 4.449 -1.066 1.00 0.00 O ATOM 1059 OE2 GLU A 65 14.191 3.600 0.335 1.00 0.00 O ATOM 0 H GLU A 65 17.687 8.774 2.016 1.00 0.00 H new ATOM 0 HA GLU A 65 16.551 6.507 3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.044 6.659 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.429 6.671 0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.065 4.402 1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.625 4.393 2.190 1.00 0.00 H new ATOM 1066 N THR A 66 18.784 5.473 3.152 1.00 0.00 N ATOM 1067 CA THR A 66 20.136 4.929 3.112 1.00 0.00 C ATOM 1068 C THR A 66 20.395 4.194 1.803 1.00 0.00 C ATOM 1069 O THR A 66 19.498 3.588 1.215 1.00 0.00 O ATOM 1070 CB THR A 66 20.388 3.966 4.288 1.00 0.00 C ATOM 1071 OG1 THR A 66 19.433 2.899 4.261 1.00 0.00 O ATOM 1072 CG2 THR A 66 20.300 4.699 5.617 1.00 0.00 C ATOM 0 H THR A 66 18.202 5.103 3.904 1.00 0.00 H new ATOM 0 HA THR A 66 20.820 5.774 3.191 1.00 0.00 H new ATOM 0 HB THR A 66 21.393 3.556 4.184 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.601 2.290 5.011 1.00 0.00 H new ATOM 0 HG21 THR A 66 20.481 3.998 6.432 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.048 5.491 5.646 1.00 0.00 H new ATOM 0 HG23 THR A 66 19.307 5.134 5.727 1.00 0.00 H new ATOM 1080 N PRO A 67 21.650 4.246 1.332 1.00 0.00 N ATOM 1081 CA PRO A 67 22.056 3.588 0.086 1.00 0.00 C ATOM 1082 C PRO A 67 22.060 2.068 0.208 1.00 0.00 C ATOM 1083 O PRO A 67 22.764 1.505 1.045 1.00 0.00 O ATOM 1084 CB PRO A 67 23.477 4.110 -0.143 1.00 0.00 C ATOM 1085 CG PRO A 67 23.972 4.471 1.215 1.00 0.00 C ATOM 1086 CD PRO A 67 22.769 4.949 1.980 1.00 0.00 C ATOM 0 HA PRO A 67 21.370 3.805 -0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 67 24.108 3.351 -0.605 1.00 0.00 H new ATOM 0 HB3 PRO A 67 23.479 4.974 -0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 67 24.430 3.612 1.705 1.00 0.00 H new ATOM 0 HG3 PRO A 67 24.733 5.249 1.159 1.00 0.00 H new ATOM 0 HD2 PRO A 67 22.841 4.699 3.039 1.00 0.00 H new ATOM 0 HD3 PRO A 67 22.655 6.031 1.915 1.00 0.00 H new ATOM 1094 N ASN A 68 21.269 1.410 -0.634 1.00 0.00 N ATOM 1095 CA ASN A 68 21.182 -0.046 -0.620 1.00 0.00 C ATOM 1096 C ASN A 68 22.561 -0.672 -0.442 1.00 0.00 C ATOM 1097 O ASN A 68 23.443 -0.505 -1.284 1.00 0.00 O ATOM 1098 CB ASN A 68 20.543 -0.551 -1.916 1.00 0.00 C ATOM 1099 CG ASN A 68 19.033 -0.642 -1.819 1.00 0.00 C ATOM 1100 OD1 ASN A 68 18.451 -1.712 -1.994 1.00 0.00 O ATOM 1101 ND2 ASN A 68 18.390 0.486 -1.539 1.00 0.00 N ATOM 0 H ASN A 68 20.680 1.861 -1.334 1.00 0.00 H new ATOM 0 HA ASN A 68 20.558 -0.340 0.224 1.00 0.00 H new ATOM 0 HB2 ASN A 68 20.812 0.117 -2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 68 20.949 -1.533 -2.159 1.00 0.00 H new ATOM 0 HD21 ASN A 68 17.373 0.488 -1.461 1.00 0.00 H new ATOM 0 HD22 ASN A 68 18.913 1.351 -1.402 1.00 0.00 H new ATOM 1108 N GLN A 69 22.740 -1.394 0.660 1.00 0.00 N ATOM 1109 CA GLN A 69 24.012 -2.045 0.949 1.00 0.00 C ATOM 1110 C GLN A 69 23.792 -3.406 1.599 1.00 0.00 C ATOM 1111 O GLN A 69 22.705 -3.700 2.097 1.00 0.00 O ATOM 1112 CB GLN A 69 24.865 -1.162 1.862 1.00 0.00 C ATOM 1113 CG GLN A 69 26.330 -1.566 1.903 1.00 0.00 C ATOM 1114 CD GLN A 69 26.949 -1.657 0.522 1.00 0.00 C ATOM 1115 OE1 GLN A 69 27.368 -2.730 0.087 1.00 0.00 O ATOM 1116 NE2 GLN A 69 27.011 -0.529 -0.175 1.00 0.00 N ATOM 0 H GLN A 69 22.020 -1.543 1.367 1.00 0.00 H new ATOM 0 HA GLN A 69 24.537 -2.195 0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 69 24.791 -0.128 1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 69 24.458 -1.199 2.873 1.00 0.00 H new ATOM 0 HG2 GLN A 69 26.886 -0.842 2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 69 26.423 -2.530 2.403 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.651 0.338 0.225 1.00 0.00 H new ATOM 0 HE22 GLN A 69 27.418 -0.529 -1.110 1.00 0.00 H new ATOM 1125 N LYS A 70 24.830 -4.236 1.590 1.00 0.00 N ATOM 1126 CA LYS A 70 24.751 -5.567 2.180 1.00 0.00 C ATOM 1127 C LYS A 70 24.829 -5.494 3.701 1.00 0.00 C ATOM 1128 O LYS A 70 25.338 -4.522 4.262 1.00 0.00 O ATOM 1129 CB LYS A 70 25.878 -6.452 1.643 1.00 0.00 C ATOM 1130 CG LYS A 70 25.792 -7.896 2.108 1.00 0.00 C ATOM 1131 CD LYS A 70 26.686 -8.803 1.279 1.00 0.00 C ATOM 1132 CE LYS A 70 27.082 -10.052 2.051 1.00 0.00 C ATOM 1133 NZ LYS A 70 27.478 -11.163 1.143 1.00 0.00 N ATOM 0 H LYS A 70 25.736 -4.010 1.180 1.00 0.00 H new ATOM 0 HA LYS A 70 23.791 -6.003 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.859 -6.428 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.836 -6.035 1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.081 -7.959 3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.760 -8.240 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 70 26.168 -9.089 0.364 1.00 0.00 H new ATOM 0 HD3 LYS A 70 27.582 -8.259 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 70 27.910 -9.818 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 70 26.248 -10.373 2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.741 -11.996 1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 26.680 -11.404 0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.290 -10.866 0.565 1.00 0.00 H new ATOM 1147 N THR A 71 24.323 -6.528 4.366 1.00 0.00 N ATOM 1148 CA THR A 71 24.335 -6.580 5.822 1.00 0.00 C ATOM 1149 C THR A 71 24.988 -7.865 6.320 1.00 0.00 C ATOM 1150 O THR A 71 25.727 -7.857 7.304 1.00 0.00 O ATOM 1151 CB THR A 71 22.911 -6.484 6.401 1.00 0.00 C ATOM 1152 OG1 THR A 71 22.254 -5.318 5.892 1.00 0.00 O ATOM 1153 CG2 THR A 71 22.946 -6.431 7.920 1.00 0.00 C ATOM 0 H THR A 71 23.900 -7.341 3.919 1.00 0.00 H new ATOM 0 HA THR A 71 24.916 -5.723 6.164 1.00 0.00 H new ATOM 0 HB THR A 71 22.358 -7.374 6.098 1.00 0.00 H new ATOM 0 HG1 THR A 71 21.349 -5.264 6.263 1.00 0.00 H new ATOM 0 HG21 THR A 71 21.929 -6.363 8.305 1.00 0.00 H new ATOM 0 HG22 THR A 71 23.420 -7.334 8.305 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.514 -5.558 8.241 1.00 0.00 H new ATOM 1161 N GLY A 72 24.711 -8.969 5.633 1.00 0.00 N ATOM 1162 CA GLY A 72 25.279 -10.247 6.021 1.00 0.00 C ATOM 1163 C GLY A 72 24.237 -11.344 6.107 1.00 0.00 C ATOM 1164 O GLY A 72 24.574 -12.523 6.206 1.00 0.00 O ATOM 0 H GLY A 72 24.103 -9.001 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 72 26.045 -10.534 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 72 25.773 -10.143 6.987 1.00 0.00 H new TER 1168 GLY A 72