USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 739 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 62 THR OG1 : rot 170:sc= 0.152 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 172:sc= 0.157 (180deg=0) USER MOD Set 2.1: A 48 MET CE :methyl 175:sc= -2.06 (180deg=-1.99) USER MOD Set 2.2: A 51 GLN : amide:sc= -2! C(o=-4.1!,f=-8!) USER MOD Set 3.1: A 10 LYS NZ :NH3+ -151:sc= 0.239 (180deg=0) USER MOD Set 3.2: A 12 GLN : amide:sc= -1.91 K(o=-1.7,f=-6.8!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.682 F(o=-1.5,f=-0.68) USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.063) USER MOD Single : A 17 SER OG : rot 87:sc= 0.0279 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 144:sc= 1.19 (180deg=0.282) USER MOD Single : A 31 TYR OH : rot -150:sc= 1.13 USER MOD Single : A 44 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-8.4!) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= 0.819 (180deg=0.774) USER MOD Single : A 49 ASN : amide:sc= -0.0037 X(o=-0.0037,f=-0.0037) USER MOD Single : A 50 MET CE :methyl -154:sc= -1.75 (180deg=-3.71!) USER MOD Single : A 53 LYS NZ :NH3+ -109:sc= 1.16 (180deg=-0.0389) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 162:sc= 0.147 (180deg=0.0601) USER MOD Single : A 75 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.4) USER MOD Single : A 78 GLN : amide:sc= 0.0752 K(o=0.075,f=-0.76) USER MOD Single : A 80 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-3.3!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= -0.0107 (180deg=-0.0112) USER MOD Single : A 87 GLN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.741 X(o=-0.74,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.662 20.642 13.343 1.00 0.00 N ATOM 21 CA PHE A 2 -30.065 19.506 12.637 1.00 0.00 C ATOM 22 C PHE A 2 -29.748 18.372 13.616 1.00 0.00 C ATOM 23 O PHE A 2 -30.347 17.305 13.524 1.00 0.00 O ATOM 24 CB PHE A 2 -28.814 19.968 11.873 1.00 0.00 C ATOM 25 CG PHE A 2 -29.058 21.171 10.984 1.00 0.00 C ATOM 26 CD1 PHE A 2 -29.715 21.022 9.747 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.683 22.454 11.428 1.00 0.00 C ATOM 28 CE1 PHE A 2 -30.010 22.155 8.968 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.972 23.582 10.648 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.649 23.434 9.428 1.00 0.00 C ATOM 0 HA PHE A 2 -30.778 19.116 11.911 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -28.029 20.209 12.590 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -28.446 19.144 11.262 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -29.992 20.038 9.397 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -28.171 22.569 12.372 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -30.513 22.043 8.019 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -28.674 24.564 10.986 1.00 0.00 H new ATOM 0 HZ PHE A 2 -29.894 24.306 8.840 1.00 0.00 H new ATOM 40 N THR A 3 -28.853 18.650 14.576 1.00 0.00 N ATOM 41 CA THR A 3 -28.542 17.845 15.754 1.00 0.00 C ATOM 42 C THR A 3 -27.949 16.458 15.432 1.00 0.00 C ATOM 43 O THR A 3 -28.675 15.502 15.149 1.00 0.00 O ATOM 44 CB THR A 3 -29.786 17.725 16.637 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.424 18.973 16.826 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.454 17.155 18.019 1.00 0.00 C ATOM 0 H THR A 3 -28.293 19.502 14.542 1.00 0.00 H new ATOM 0 HA THR A 3 -27.753 18.369 16.293 1.00 0.00 H new ATOM 0 HB THR A 3 -30.454 17.046 16.107 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.214 18.854 17.393 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.365 17.087 18.613 1.00 0.00 H new ATOM 0 HG22 THR A 3 -29.018 16.162 17.908 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.742 17.810 18.521 1.00 0.00 H new ATOM 54 N ILE A 4 -26.618 16.331 15.503 1.00 0.00 N ATOM 55 CA ILE A 4 -25.897 15.179 14.970 1.00 0.00 C ATOM 56 C ILE A 4 -25.515 14.268 16.130 1.00 0.00 C ATOM 57 O ILE A 4 -24.426 14.368 16.683 1.00 0.00 O ATOM 58 CB ILE A 4 -24.717 15.548 14.038 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.556 17.037 13.711 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.766 14.738 12.742 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.703 17.679 12.909 1.00 0.00 C ATOM 0 H ILE A 4 -26.013 17.030 15.934 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.560 14.631 14.300 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.836 15.288 14.625 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.443 17.584 14.647 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.630 17.168 13.151 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.926 15.017 12.106 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.707 13.675 12.975 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.700 14.944 12.220 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.481 18.732 12.736 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.808 17.169 11.952 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.633 17.591 13.471 1.00 0.00 H new ATOM 73 N ASN A 5 -26.443 13.403 16.540 1.00 0.00 N ATOM 74 CA ASN A 5 -26.269 12.548 17.701 1.00 0.00 C ATOM 75 C ASN A 5 -25.016 11.682 17.500 1.00 0.00 C ATOM 76 O ASN A 5 -25.007 10.814 16.622 1.00 0.00 O ATOM 77 CB ASN A 5 -27.533 11.717 17.968 1.00 0.00 C ATOM 78 CG ASN A 5 -28.714 12.511 18.539 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.161 13.582 17.880 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 -29.235 12.161 19.592 1.00 0.00 N flip ATOM 0 H ASN A 5 -27.339 13.280 16.069 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.119 13.156 18.593 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.846 11.247 17.036 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.283 10.914 18.662 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -28.884 11.341 20.086 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -30.019 12.690 19.974 1.00 0.00 H new ATOM 87 N ALA A 6 -23.960 11.979 18.271 1.00 0.00 N ATOM 88 CA ALA A 6 -22.664 11.312 18.249 1.00 0.00 C ATOM 89 C ALA A 6 -22.497 10.587 19.594 1.00 0.00 C ATOM 90 O ALA A 6 -23.469 10.341 20.310 1.00 0.00 O ATOM 91 CB ALA A 6 -21.528 12.325 17.936 1.00 0.00 C ATOM 0 H ALA A 6 -23.996 12.730 18.960 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.607 10.572 17.450 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.570 11.805 17.925 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.705 12.781 16.962 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.511 13.101 18.702 1.00 0.00 H new ATOM 97 N GLU A 7 -21.260 10.240 19.942 1.00 0.00 N ATOM 98 CA GLU A 7 -20.832 9.754 21.247 1.00 0.00 C ATOM 99 C GLU A 7 -19.326 10.015 21.314 1.00 0.00 C ATOM 100 O GLU A 7 -18.623 9.835 20.324 1.00 0.00 O ATOM 101 CB GLU A 7 -21.189 8.264 21.425 1.00 0.00 C ATOM 102 CG GLU A 7 -20.493 7.368 20.394 1.00 0.00 C ATOM 103 CD GLU A 7 -21.108 5.967 20.290 1.00 0.00 C ATOM 104 OE1 GLU A 7 -20.919 5.186 21.247 1.00 0.00 O ATOM 105 OE2 GLU A 7 -21.751 5.685 19.250 1.00 0.00 O ATOM 0 H GLU A 7 -20.486 10.295 19.280 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.341 10.266 22.064 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.909 7.944 22.428 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.269 8.139 21.340 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.537 7.849 19.417 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.439 7.275 20.657 1.00 0.00 H new ATOM 112 N VAL A 8 -18.820 10.482 22.454 1.00 0.00 N ATOM 113 CA VAL A 8 -17.408 10.825 22.617 1.00 0.00 C ATOM 114 C VAL A 8 -16.530 9.591 22.427 1.00 0.00 C ATOM 115 O VAL A 8 -16.796 8.532 22.996 1.00 0.00 O ATOM 116 CB VAL A 8 -17.172 11.475 23.993 1.00 0.00 C ATOM 117 CG1 VAL A 8 -17.670 12.916 23.965 1.00 0.00 C ATOM 118 CG2 VAL A 8 -17.868 10.745 25.151 1.00 0.00 C ATOM 0 H VAL A 8 -19.379 10.634 23.293 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.131 11.549 21.850 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.099 11.420 24.175 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.504 13.377 24.938 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.128 13.474 23.202 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.735 12.928 23.735 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.655 11.262 26.087 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -18.944 10.733 24.979 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.499 9.721 25.210 1.00 0.00 H new ATOM 128 N ARG A 9 -15.474 9.753 21.622 1.00 0.00 N ATOM 129 CA ARG A 9 -14.517 8.680 21.337 1.00 0.00 C ATOM 130 C ARG A 9 -13.079 9.142 21.495 1.00 0.00 C ATOM 131 O ARG A 9 -12.780 10.302 21.243 1.00 0.00 O ATOM 132 CB ARG A 9 -14.785 8.061 19.957 1.00 0.00 C ATOM 133 CG ARG A 9 -15.079 9.031 18.801 1.00 0.00 C ATOM 134 CD ARG A 9 -13.894 9.722 18.145 1.00 0.00 C ATOM 135 NE ARG A 9 -13.103 8.756 17.397 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.331 8.971 16.322 1.00 0.00 C ATOM 137 NH1 ARG A 9 -12.089 10.200 15.855 1.00 0.00 N ATOM 138 NH2 ARG A 9 -11.777 7.923 15.719 1.00 0.00 N ATOM 0 H ARG A 9 -15.259 10.632 21.150 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.665 7.896 22.080 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.919 7.459 19.682 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.630 7.379 20.050 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.617 8.481 18.029 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.754 9.802 19.172 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.246 10.510 17.479 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.275 10.200 18.905 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.141 7.794 17.733 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.497 11.011 16.319 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.497 10.326 15.034 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.944 6.982 16.076 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.186 8.060 14.899 1.00 0.00 H new ATOM 152 N LYS A 10 -12.192 8.213 21.870 1.00 0.00 N ATOM 153 CA LYS A 10 -10.742 8.383 21.956 1.00 0.00 C ATOM 154 C LYS A 10 -9.956 7.184 21.391 1.00 0.00 C ATOM 155 O LYS A 10 -8.735 7.250 21.289 1.00 0.00 O ATOM 156 CB LYS A 10 -10.326 8.714 23.396 1.00 0.00 C ATOM 157 CG LYS A 10 -10.673 10.147 23.838 1.00 0.00 C ATOM 158 CD LYS A 10 -9.847 11.260 23.157 1.00 0.00 C ATOM 159 CE LYS A 10 -10.498 11.883 21.909 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.596 12.859 21.260 1.00 0.00 N ATOM 0 H LYS A 10 -12.485 7.273 22.135 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.480 9.227 21.318 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.809 8.010 24.073 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.251 8.565 23.495 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.730 10.326 23.639 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.535 10.222 24.917 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.661 12.050 23.884 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.876 10.851 22.876 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.756 11.096 21.200 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.429 12.376 22.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.161 13.586 20.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.995 13.309 21.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.996 12.369 20.566 1.00 0.00 H new ATOM 174 N GLU A 11 -10.648 6.120 20.965 1.00 0.00 N ATOM 175 CA GLU A 11 -10.122 4.893 20.344 1.00 0.00 C ATOM 176 C GLU A 11 -9.502 5.084 18.937 1.00 0.00 C ATOM 177 O GLU A 11 -9.303 4.094 18.230 1.00 0.00 O ATOM 178 CB GLU A 11 -11.194 3.758 20.349 1.00 0.00 C ATOM 179 CG GLU A 11 -12.680 4.136 20.523 1.00 0.00 C ATOM 180 CD GLU A 11 -13.106 4.430 21.965 1.00 0.00 C ATOM 181 OE1 GLU A 11 -13.420 3.463 22.694 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.169 5.633 22.299 1.00 0.00 O ATOM 0 H GLU A 11 -11.664 6.090 21.050 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.284 4.594 20.973 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.101 3.212 19.410 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.935 3.064 21.148 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.891 5.013 19.911 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.294 3.323 20.137 1.00 0.00 H new ATOM 189 N GLN A 12 -9.222 6.327 18.510 1.00 0.00 N ATOM 190 CA GLN A 12 -8.935 6.692 17.117 1.00 0.00 C ATOM 191 C GLN A 12 -7.963 5.744 16.410 1.00 0.00 C ATOM 192 O GLN A 12 -8.335 5.214 15.365 1.00 0.00 O ATOM 193 CB GLN A 12 -8.516 8.165 16.918 1.00 0.00 C ATOM 194 CG GLN A 12 -7.982 8.995 18.092 1.00 0.00 C ATOM 195 CD GLN A 12 -9.051 9.579 19.029 1.00 0.00 C ATOM 196 OE1 GLN A 12 -8.729 10.354 19.922 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.339 9.261 18.870 1.00 0.00 N ATOM 0 H GLN A 12 -9.189 7.126 19.144 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.903 6.575 16.630 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.751 8.178 16.142 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.382 8.693 16.520 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.310 8.370 18.680 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.386 9.816 17.693 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.618 8.617 18.130 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.044 9.662 19.489 1.00 0.00 H new ATOM 206 N GLY A 13 -6.791 5.526 17.026 1.00 0.00 N ATOM 207 CA GLY A 13 -5.665 4.661 16.643 1.00 0.00 C ATOM 208 C GLY A 13 -5.923 3.799 15.403 1.00 0.00 C ATOM 209 O GLY A 13 -5.364 4.030 14.336 1.00 0.00 O ATOM 0 H GLY A 13 -6.587 6.006 17.903 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.789 5.284 16.462 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.423 4.007 17.481 1.00 0.00 H new ATOM 213 N LYS A 14 -6.782 2.788 15.549 1.00 0.00 N ATOM 214 CA LYS A 14 -7.494 2.151 14.439 1.00 0.00 C ATOM 215 C LYS A 14 -8.673 1.322 14.962 1.00 0.00 C ATOM 216 O LYS A 14 -9.522 0.940 14.159 1.00 0.00 O ATOM 217 CB LYS A 14 -6.540 1.311 13.562 1.00 0.00 C ATOM 218 CG LYS A 14 -6.718 1.309 12.036 1.00 0.00 C ATOM 219 CD LYS A 14 -6.635 2.695 11.371 1.00 0.00 C ATOM 220 CE LYS A 14 -6.545 2.579 9.842 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.232 2.075 9.383 1.00 0.00 N ATOM 0 H LYS A 14 -7.006 2.382 16.457 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.898 2.935 13.798 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.524 1.646 13.772 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.611 0.277 13.900 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.956 0.665 11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.685 0.866 11.798 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.512 3.283 11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.764 3.230 11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.330 1.912 9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.730 3.556 9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.163 2.175 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.472 2.623 9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.136 1.072 9.640 1.00 0.00 H new ATOM 235 N GLY A 15 -8.762 1.079 16.284 1.00 0.00 N ATOM 236 CA GLY A 15 -9.829 0.316 16.926 1.00 0.00 C ATOM 237 C GLY A 15 -11.192 1.006 16.844 1.00 0.00 C ATOM 238 O GLY A 15 -12.227 0.345 16.753 1.00 0.00 O ATOM 0 H GLY A 15 -8.068 1.423 16.948 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.897 -0.666 16.459 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.573 0.154 17.973 1.00 0.00 H new ATOM 242 N ALA A 16 -11.207 2.340 16.809 1.00 0.00 N ATOM 243 CA ALA A 16 -12.398 3.092 16.458 1.00 0.00 C ATOM 244 C ALA A 16 -12.680 2.990 14.964 1.00 0.00 C ATOM 245 O ALA A 16 -13.807 2.762 14.545 1.00 0.00 O ATOM 246 CB ALA A 16 -12.203 4.541 16.820 1.00 0.00 C ATOM 0 H ALA A 16 -10.396 2.920 17.023 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.242 2.676 17.008 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.097 5.105 16.556 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.022 4.627 17.891 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.348 4.940 16.275 1.00 0.00 H new ATOM 252 N SER A 17 -11.648 3.162 14.147 1.00 0.00 N ATOM 253 CA SER A 17 -11.803 3.272 12.695 1.00 0.00 C ATOM 254 C SER A 17 -12.444 2.015 12.071 1.00 0.00 C ATOM 255 O SER A 17 -13.084 2.099 11.022 1.00 0.00 O ATOM 256 CB SER A 17 -10.446 3.610 12.076 1.00 0.00 C ATOM 257 OG SER A 17 -9.997 4.838 12.621 1.00 0.00 O ATOM 0 H SER A 17 -10.682 3.229 14.467 1.00 0.00 H new ATOM 0 HA SER A 17 -12.501 4.080 12.475 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.727 2.818 12.284 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.532 3.686 10.992 1.00 0.00 H new ATOM 0 HG SER A 17 -9.506 4.667 13.452 1.00 0.00 H new ATOM 263 N ARG A 18 -12.349 0.876 12.769 1.00 0.00 N ATOM 264 CA ARG A 18 -12.977 -0.401 12.470 1.00 0.00 C ATOM 265 C ARG A 18 -14.381 -0.506 13.069 1.00 0.00 C ATOM 266 O ARG A 18 -15.239 -1.011 12.359 1.00 0.00 O ATOM 267 CB ARG A 18 -12.067 -1.589 12.854 1.00 0.00 C ATOM 268 CG ARG A 18 -11.456 -1.541 14.264 1.00 0.00 C ATOM 269 CD ARG A 18 -12.020 -2.412 15.393 1.00 0.00 C ATOM 270 NE ARG A 18 -13.484 -2.468 15.514 1.00 0.00 N ATOM 271 CZ ARG A 18 -14.315 -3.413 15.041 1.00 0.00 C ATOM 272 NH1 ARG A 18 -13.913 -4.356 14.188 1.00 0.00 N ATOM 273 NH2 ARG A 18 -15.592 -3.418 15.435 1.00 0.00 N ATOM 0 H ARG A 18 -11.788 0.828 13.619 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.109 -0.453 11.389 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.645 -2.509 12.761 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.255 -1.648 12.129 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.400 -1.790 14.164 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.509 -0.506 14.601 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.651 -3.428 15.256 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.614 -2.050 16.338 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.922 -1.697 16.018 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.944 -4.378 13.871 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.575 -5.056 13.852 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.927 -2.710 16.088 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.232 -4.130 15.083 1.00 0.00 H new ATOM 287 N ARG A 19 -14.671 -0.034 14.300 1.00 0.00 N ATOM 288 CA ARG A 19 -16.055 -0.108 14.822 1.00 0.00 C ATOM 289 C ARG A 19 -16.983 0.837 14.055 1.00 0.00 C ATOM 290 O ARG A 19 -18.147 0.499 13.840 1.00 0.00 O ATOM 291 CB ARG A 19 -16.189 0.128 16.349 1.00 0.00 C ATOM 292 CG ARG A 19 -15.521 1.423 16.811 1.00 0.00 C ATOM 293 CD ARG A 19 -16.113 2.229 17.966 1.00 0.00 C ATOM 294 NE ARG A 19 -15.852 1.630 19.278 1.00 0.00 N ATOM 295 CZ ARG A 19 -15.787 2.329 20.423 1.00 0.00 C ATOM 296 NH1 ARG A 19 -16.206 3.600 20.497 1.00 0.00 N ATOM 297 NH2 ARG A 19 -15.250 1.748 21.498 1.00 0.00 N ATOM 0 H ARG A 19 -13.993 0.389 14.933 1.00 0.00 H new ATOM 0 HA ARG A 19 -16.360 -1.141 14.657 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.245 0.155 16.616 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.746 -0.714 16.882 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.495 1.177 17.083 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.472 2.086 15.947 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.701 3.238 17.946 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -17.190 2.321 17.823 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.711 0.621 19.324 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.586 4.061 19.670 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -16.145 4.107 21.380 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.899 0.792 21.439 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.190 2.260 22.378 1.00 0.00 H new ATOM 311 N LEU A 20 -16.477 2.000 13.626 1.00 0.00 N ATOM 312 CA LEU A 20 -17.273 2.999 12.958 1.00 0.00 C ATOM 313 C LEU A 20 -17.614 2.515 11.558 1.00 0.00 C ATOM 314 O LEU A 20 -18.804 2.406 11.259 1.00 0.00 O ATOM 315 CB LEU A 20 -16.549 4.349 12.991 1.00 0.00 C ATOM 316 CG LEU A 20 -16.787 5.057 14.346 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.555 5.184 15.236 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.207 6.496 14.106 1.00 0.00 C ATOM 0 H LEU A 20 -15.498 2.261 13.740 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.221 3.153 13.474 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.481 4.200 12.834 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.905 4.980 12.177 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.533 4.432 14.837 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.825 5.694 16.161 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.170 4.191 15.468 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.788 5.758 14.716 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.374 6.991 15.063 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.422 7.018 13.559 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.128 6.514 13.523 1.00 0.00 H new ATOM 330 N ARG A 21 -16.615 2.138 10.742 1.00 0.00 N ATOM 331 CA ARG A 21 -16.905 1.538 9.441 1.00 0.00 C ATOM 332 C ARG A 21 -17.730 0.256 9.564 1.00 0.00 C ATOM 333 O ARG A 21 -18.513 -0.034 8.661 1.00 0.00 O ATOM 334 CB ARG A 21 -15.623 1.334 8.608 1.00 0.00 C ATOM 335 CG ARG A 21 -14.819 0.096 9.032 1.00 0.00 C ATOM 336 CD ARG A 21 -13.445 0.027 8.357 1.00 0.00 C ATOM 337 NE ARG A 21 -12.723 -1.193 8.762 1.00 0.00 N ATOM 338 CZ ARG A 21 -11.390 -1.365 8.785 1.00 0.00 C ATOM 339 NH1 ARG A 21 -10.558 -0.377 8.432 1.00 0.00 N ATOM 340 NH2 ARG A 21 -10.884 -2.543 9.164 1.00 0.00 N ATOM 0 H ARG A 21 -15.623 2.237 10.958 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.526 2.248 8.895 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.892 1.242 7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.992 2.218 8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.688 0.105 10.114 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.386 -0.802 8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.566 0.041 7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.859 0.907 8.623 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.293 -1.987 9.054 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.933 0.525 8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.549 -0.527 8.456 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.508 -3.303 9.433 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.874 -2.681 9.184 1.00 0.00 H new ATOM 354 N ALA A 22 -17.602 -0.474 10.683 1.00 0.00 N ATOM 355 CA ALA A 22 -18.384 -1.695 10.882 1.00 0.00 C ATOM 356 C ALA A 22 -19.862 -1.431 11.203 1.00 0.00 C ATOM 357 O ALA A 22 -20.669 -2.352 11.086 1.00 0.00 O ATOM 358 CB ALA A 22 -17.758 -2.531 11.989 1.00 0.00 C ATOM 0 H ALA A 22 -16.973 -0.241 11.451 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.364 -2.235 9.936 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -18.343 -3.439 12.134 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.738 -2.797 11.712 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.744 -1.956 12.915 1.00 0.00 H new ATOM 364 N ALA A 23 -20.225 -0.197 11.577 1.00 0.00 N ATOM 365 CA ALA A 23 -21.577 0.199 11.945 1.00 0.00 C ATOM 366 C ALA A 23 -22.105 1.331 11.075 1.00 0.00 C ATOM 367 O ALA A 23 -23.074 1.980 11.470 1.00 0.00 O ATOM 368 CB ALA A 23 -21.602 0.633 13.405 1.00 0.00 C ATOM 0 H ALA A 23 -19.558 0.573 11.631 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.223 -0.666 11.792 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.615 0.929 13.679 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.283 -0.196 14.037 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -20.927 1.477 13.545 1.00 0.00 H new ATOM 374 N ASN A 24 -21.482 1.583 9.911 1.00 0.00 N ATOM 375 CA ASN A 24 -21.909 2.628 8.984 1.00 0.00 C ATOM 376 C ASN A 24 -21.773 4.044 9.579 1.00 0.00 C ATOM 377 O ASN A 24 -22.286 5.016 9.020 1.00 0.00 O ATOM 378 CB ASN A 24 -23.326 2.288 8.486 1.00 0.00 C ATOM 379 CG ASN A 24 -23.288 1.591 7.132 1.00 0.00 C ATOM 380 OD1 ASN A 24 -23.532 2.202 6.096 1.00 0.00 O ATOM 381 ND2 ASN A 24 -22.960 0.300 7.136 1.00 0.00 N ATOM 0 H ASN A 24 -20.666 1.062 9.592 1.00 0.00 H new ATOM 0 HA ASN A 24 -21.242 2.650 8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.824 1.647 9.213 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -23.915 3.202 8.410 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -22.905 -0.215 6.257 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -22.764 -0.174 8.018 1.00 0.00 H new ATOM 388 N LYS A 25 -21.053 4.164 10.699 1.00 0.00 N ATOM 389 CA LYS A 25 -20.661 5.410 11.325 1.00 0.00 C ATOM 390 C LYS A 25 -19.278 5.793 10.766 1.00 0.00 C ATOM 391 O LYS A 25 -18.692 5.057 9.969 1.00 0.00 O ATOM 392 CB LYS A 25 -20.724 5.217 12.856 1.00 0.00 C ATOM 393 CG LYS A 25 -22.124 4.765 13.347 1.00 0.00 C ATOM 394 CD LYS A 25 -22.664 5.511 14.579 1.00 0.00 C ATOM 395 CE LYS A 25 -21.722 5.468 15.783 1.00 0.00 C ATOM 396 NZ LYS A 25 -21.775 4.210 16.549 1.00 0.00 N ATOM 0 H LYS A 25 -20.716 3.349 11.211 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.326 6.245 11.103 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.982 4.476 13.155 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.456 6.153 13.347 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.834 4.887 12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.083 3.700 13.577 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.850 6.551 14.311 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -23.623 5.079 14.863 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.701 5.626 15.436 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.964 6.296 16.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.823 3.974 16.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.420 4.323 17.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.120 3.444 15.935 1.00 0.00 H new ATOM 410 N PHE A 26 -18.754 6.960 11.143 1.00 0.00 N ATOM 411 CA PHE A 26 -17.440 7.440 10.722 1.00 0.00 C ATOM 412 C PHE A 26 -17.000 8.531 11.719 1.00 0.00 C ATOM 413 O PHE A 26 -17.854 9.149 12.366 1.00 0.00 O ATOM 414 CB PHE A 26 -17.482 7.967 9.272 1.00 0.00 C ATOM 415 CG PHE A 26 -17.963 9.394 9.194 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.261 9.704 9.631 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.054 10.425 8.895 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.616 11.033 9.866 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.425 11.759 9.117 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.683 12.059 9.650 1.00 0.00 C ATOM 0 H PHE A 26 -19.241 7.609 11.761 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.715 6.626 10.727 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.486 7.897 8.834 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.138 7.332 8.676 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.983 8.916 9.785 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.078 10.191 8.497 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.610 11.272 10.214 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.738 12.557 8.876 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.936 13.080 9.895 1.00 0.00 H new ATOM 430 N PRO A 27 -15.687 8.742 11.914 1.00 0.00 N ATOM 431 CA PRO A 27 -15.200 9.660 12.935 1.00 0.00 C ATOM 432 C PRO A 27 -15.442 11.128 12.579 1.00 0.00 C ATOM 433 O PRO A 27 -15.499 11.500 11.408 1.00 0.00 O ATOM 434 CB PRO A 27 -13.708 9.352 13.072 1.00 0.00 C ATOM 435 CG PRO A 27 -13.331 8.682 11.750 1.00 0.00 C ATOM 436 CD PRO A 27 -14.601 7.905 11.427 1.00 0.00 C ATOM 0 HA PRO A 27 -15.737 9.518 13.873 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.129 10.261 13.235 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.515 8.694 13.919 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.088 9.410 10.976 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.466 8.028 11.854 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.692 7.724 10.356 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.603 6.931 11.916 1.00 0.00 H new ATOM 444 N ALA A 28 -15.504 11.965 13.618 1.00 0.00 N ATOM 445 CA ALA A 28 -15.381 13.412 13.524 1.00 0.00 C ATOM 446 C ALA A 28 -14.618 13.962 14.728 1.00 0.00 C ATOM 447 O ALA A 28 -14.251 13.220 15.646 1.00 0.00 O ATOM 448 CB ALA A 28 -16.762 14.069 13.403 1.00 0.00 C ATOM 0 H ALA A 28 -15.646 11.639 14.574 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.816 13.652 12.623 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.646 15.151 13.334 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.263 13.700 12.508 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.360 13.824 14.281 1.00 0.00 H new ATOM 454 N ILE A 29 -14.422 15.286 14.722 1.00 0.00 N ATOM 455 CA ILE A 29 -13.786 16.033 15.802 1.00 0.00 C ATOM 456 C ILE A 29 -14.562 17.317 16.069 1.00 0.00 C ATOM 457 O ILE A 29 -15.304 17.803 15.219 1.00 0.00 O ATOM 458 CB ILE A 29 -12.296 16.250 15.463 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.385 16.872 16.536 1.00 0.00 C ATOM 460 CG2 ILE A 29 -12.127 17.142 14.238 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.238 16.029 17.787 1.00 0.00 C ATOM 0 H ILE A 29 -14.711 15.878 13.943 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.810 15.472 16.736 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.976 15.217 15.325 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.398 17.040 16.106 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.782 17.848 16.813 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.066 17.274 14.028 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.612 16.677 13.380 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.582 18.114 14.430 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.581 16.537 18.493 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.217 15.882 18.244 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.810 15.061 17.525 1.00 0.00 H new ATOM 473 N ILE A 30 -14.358 17.859 17.267 1.00 0.00 N ATOM 474 CA ILE A 30 -14.958 19.088 17.768 1.00 0.00 C ATOM 475 C ILE A 30 -13.789 19.897 18.322 1.00 0.00 C ATOM 476 O ILE A 30 -13.371 19.657 19.451 1.00 0.00 O ATOM 477 CB ILE A 30 -16.083 18.804 18.808 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.313 18.249 18.059 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.391 20.062 19.640 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.575 17.916 18.880 1.00 0.00 C ATOM 0 H ILE A 30 -13.735 17.427 17.950 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.475 19.650 16.990 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.760 18.052 19.528 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.594 18.975 17.296 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -17.005 17.342 17.539 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.179 19.839 20.359 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.493 20.375 20.172 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.719 20.864 18.979 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.352 17.537 18.216 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.334 17.159 19.626 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.932 18.817 19.379 1.00 0.00 H new ATOM 492 N TYR A 31 -13.219 20.794 17.513 1.00 0.00 N ATOM 493 CA TYR A 31 -11.929 21.410 17.791 1.00 0.00 C ATOM 494 C TYR A 31 -11.993 22.915 17.989 1.00 0.00 C ATOM 495 O TYR A 31 -13.072 23.504 18.025 1.00 0.00 O ATOM 496 CB TYR A 31 -10.895 20.960 16.756 1.00 0.00 C ATOM 497 CG TYR A 31 -10.953 21.386 15.292 1.00 0.00 C ATOM 498 CD1 TYR A 31 -11.156 22.717 14.852 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.590 20.413 14.346 1.00 0.00 C ATOM 500 CE1 TYR A 31 -11.049 23.029 13.483 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.463 20.719 12.986 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.718 22.032 12.541 1.00 0.00 C ATOM 503 OH TYR A 31 -10.673 22.319 11.211 1.00 0.00 O ATOM 0 H TYR A 31 -13.646 21.112 16.643 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.596 21.049 18.764 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.922 21.274 17.133 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.903 19.870 16.763 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.393 23.492 15.566 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.404 19.402 14.677 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.222 24.042 13.151 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.171 19.954 12.282 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.898 21.516 10.695 1.00 0.00 H new ATOM 574 N PRO A 37 -9.614 19.779 21.845 1.00 0.00 N ATOM 575 CA PRO A 37 -10.793 19.382 21.085 1.00 0.00 C ATOM 576 C PRO A 37 -11.515 18.190 21.742 1.00 0.00 C ATOM 577 O PRO A 37 -11.341 17.933 22.935 1.00 0.00 O ATOM 578 CB PRO A 37 -10.207 19.043 19.721 1.00 0.00 C ATOM 579 CG PRO A 37 -8.968 18.285 20.125 1.00 0.00 C ATOM 580 CD PRO A 37 -8.451 19.080 21.311 1.00 0.00 C ATOM 0 HA PRO A 37 -11.563 20.151 21.030 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.884 18.437 19.120 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.974 19.934 19.138 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.197 17.255 20.399 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.238 18.245 19.317 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.008 18.424 22.061 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.676 19.783 21.005 1.00 0.00 H new ATOM 588 N LEU A 38 -12.369 17.496 20.975 1.00 0.00 N ATOM 589 CA LEU A 38 -13.192 16.386 21.449 1.00 0.00 C ATOM 590 C LEU A 38 -13.649 15.537 20.261 1.00 0.00 C ATOM 591 O LEU A 38 -14.509 15.960 19.493 1.00 0.00 O ATOM 592 CB LEU A 38 -14.410 16.951 22.188 1.00 0.00 C ATOM 593 CG LEU A 38 -15.351 15.846 22.720 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.117 15.673 24.219 1.00 0.00 C ATOM 595 CD2 LEU A 38 -16.795 16.246 22.428 1.00 0.00 C ATOM 0 H LEU A 38 -12.506 17.700 19.985 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.612 15.759 22.126 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.071 17.566 23.022 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.967 17.604 21.516 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.148 14.895 22.228 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.777 14.895 24.603 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.080 15.388 24.395 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.327 16.612 24.731 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.469 15.474 22.799 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.018 17.191 22.924 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.931 16.360 21.352 1.00 0.00 H new ATOM 607 N ALA A 39 -13.064 14.352 20.076 1.00 0.00 N ATOM 608 CA ALA A 39 -13.444 13.470 18.979 1.00 0.00 C ATOM 609 C ALA A 39 -14.751 12.745 19.336 1.00 0.00 C ATOM 610 O ALA A 39 -14.903 12.320 20.480 1.00 0.00 O ATOM 611 CB ALA A 39 -12.273 12.537 18.684 1.00 0.00 C ATOM 0 H ALA A 39 -12.325 13.984 20.674 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.649 14.024 18.063 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.538 11.868 17.865 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.400 13.126 18.403 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.043 11.949 19.573 1.00 0.00 H new ATOM 617 N ILE A 40 -15.705 12.621 18.394 1.00 0.00 N ATOM 618 CA ILE A 40 -17.059 12.152 18.616 1.00 0.00 C ATOM 619 C ILE A 40 -17.478 11.305 17.395 1.00 0.00 C ATOM 620 O ILE A 40 -17.379 11.729 16.244 1.00 0.00 O ATOM 621 CB ILE A 40 -18.009 13.329 18.929 1.00 0.00 C ATOM 622 CG1 ILE A 40 -17.737 14.702 18.302 1.00 0.00 C ATOM 623 CG2 ILE A 40 -18.015 13.596 20.436 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.625 14.716 16.798 1.00 0.00 C ATOM 0 H ILE A 40 -15.531 12.859 17.418 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.115 11.514 19.498 1.00 0.00 H new ATOM 0 HB ILE A 40 -18.938 12.966 18.489 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.537 15.382 18.596 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -16.812 15.097 18.722 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.686 14.427 20.656 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.357 12.705 20.962 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -17.007 13.847 20.765 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.433 15.733 16.457 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -16.805 14.068 16.488 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -18.556 14.357 16.360 1.00 0.00 H new ATOM 636 N GLU A 41 -17.877 10.064 17.668 1.00 0.00 N ATOM 637 CA GLU A 41 -18.321 9.014 16.765 1.00 0.00 C ATOM 638 C GLU A 41 -19.779 9.274 16.388 1.00 0.00 C ATOM 639 O GLU A 41 -20.647 9.194 17.251 1.00 0.00 O ATOM 640 CB GLU A 41 -18.093 7.666 17.498 1.00 0.00 C ATOM 641 CG GLU A 41 -18.995 6.483 17.139 1.00 0.00 C ATOM 642 CD GLU A 41 -18.476 5.124 17.642 1.00 0.00 C ATOM 643 OE1 GLU A 41 -17.511 5.084 18.441 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.056 4.113 17.186 1.00 0.00 O ATOM 0 H GLU A 41 -17.898 9.739 18.635 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.765 8.988 15.828 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.061 7.362 17.322 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.194 7.848 18.568 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.988 6.657 17.554 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.106 6.440 16.056 1.00 0.00 H new ATOM 651 N LEU A 42 -20.056 9.597 15.116 1.00 0.00 N ATOM 652 CA LEU A 42 -21.413 9.865 14.634 1.00 0.00 C ATOM 653 C LEU A 42 -21.741 9.033 13.402 1.00 0.00 C ATOM 654 O LEU A 42 -20.862 8.462 12.759 1.00 0.00 O ATOM 655 CB LEU A 42 -21.662 11.363 14.368 1.00 0.00 C ATOM 656 CG LEU A 42 -21.021 11.927 13.087 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.671 13.255 12.724 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.524 12.167 13.231 1.00 0.00 C ATOM 0 H LEU A 42 -19.341 9.679 14.393 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.088 9.567 15.436 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.738 11.531 14.319 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.289 11.932 15.220 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.179 11.178 12.311 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.213 13.648 11.817 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.737 13.104 12.556 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.529 13.964 13.539 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.128 12.565 12.297 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.346 12.882 14.034 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.026 11.226 13.465 1.00 0.00 H new ATOM 670 N ASP A 43 -23.033 9.006 13.068 1.00 0.00 N ATOM 671 CA ASP A 43 -23.551 8.266 11.938 1.00 0.00 C ATOM 672 C ASP A 43 -23.223 9.029 10.656 1.00 0.00 C ATOM 673 O ASP A 43 -23.324 10.260 10.610 1.00 0.00 O ATOM 674 CB ASP A 43 -25.053 8.061 12.131 1.00 0.00 C ATOM 675 CG ASP A 43 -25.618 7.139 11.056 1.00 0.00 C ATOM 676 OD1 ASP A 43 -25.942 7.666 9.970 1.00 0.00 O ATOM 677 OD2 ASP A 43 -25.694 5.925 11.335 1.00 0.00 O ATOM 0 H ASP A 43 -23.752 9.508 13.589 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.090 7.281 11.861 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.243 7.636 13.117 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.563 9.024 12.095 1.00 0.00 H new ATOM 682 N HIS A 44 -22.808 8.293 9.621 1.00 0.00 N ATOM 683 CA HIS A 44 -22.420 8.883 8.355 1.00 0.00 C ATOM 684 C HIS A 44 -23.640 9.347 7.576 1.00 0.00 C ATOM 685 O HIS A 44 -23.644 10.473 7.094 1.00 0.00 O ATOM 686 CB HIS A 44 -21.633 7.861 7.534 1.00 0.00 C ATOM 687 CG HIS A 44 -21.033 8.404 6.262 1.00 0.00 C ATOM 688 ND1 HIS A 44 -21.566 9.390 5.462 1.00 0.00 N ATOM 689 CD2 HIS A 44 -19.892 7.954 5.658 1.00 0.00 C ATOM 690 CE1 HIS A 44 -20.771 9.526 4.397 1.00 0.00 C ATOM 691 NE2 HIS A 44 -19.740 8.671 4.471 1.00 0.00 N ATOM 0 H HIS A 44 -22.735 7.276 9.646 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.793 9.752 8.554 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.833 7.456 8.153 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.293 7.031 7.283 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -22.416 9.922 5.649 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -19.231 7.186 6.031 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -20.935 10.225 3.591 1.00 0.00 H new ATOM 699 N ASP A 45 -24.639 8.485 7.375 1.00 0.00 N ATOM 700 CA ASP A 45 -25.750 8.790 6.486 1.00 0.00 C ATOM 701 C ASP A 45 -26.660 9.872 7.083 1.00 0.00 C ATOM 702 O ASP A 45 -27.307 10.621 6.349 1.00 0.00 O ATOM 703 CB ASP A 45 -26.503 7.494 6.208 1.00 0.00 C ATOM 704 CG ASP A 45 -27.041 7.480 4.775 1.00 0.00 C ATOM 705 OD1 ASP A 45 -26.192 7.379 3.854 1.00 0.00 O ATOM 706 OD2 ASP A 45 -28.276 7.572 4.614 1.00 0.00 O ATOM 0 H ASP A 45 -24.697 7.569 7.820 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.378 9.198 5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -25.841 6.642 6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.328 7.388 6.913 1.00 0.00 H new ATOM 711 N LYS A 46 -26.614 10.005 8.416 1.00 0.00 N ATOM 712 CA LYS A 46 -27.041 11.167 9.178 1.00 0.00 C ATOM 713 C LYS A 46 -26.259 12.373 8.661 1.00 0.00 C ATOM 714 O LYS A 46 -26.832 13.131 7.881 1.00 0.00 O ATOM 715 CB LYS A 46 -26.807 10.866 10.667 1.00 0.00 C ATOM 716 CG LYS A 46 -27.006 12.015 11.661 1.00 0.00 C ATOM 717 CD LYS A 46 -26.511 11.658 13.073 1.00 0.00 C ATOM 718 CE LYS A 46 -27.522 10.822 13.847 1.00 0.00 C ATOM 719 NZ LYS A 46 -26.879 9.789 14.685 1.00 0.00 N ATOM 0 H LYS A 46 -26.258 9.260 9.015 1.00 0.00 H new ATOM 0 HA LYS A 46 -28.101 11.394 9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.474 10.053 10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -25.788 10.497 10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -26.474 12.897 11.304 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.063 12.276 11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.572 11.110 12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -26.303 12.575 13.625 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -28.122 11.477 14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -28.205 10.343 13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -27.580 9.386 15.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -26.500 9.035 14.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -26.103 10.217 15.230 1.00 0.00 H new ATOM 733 N VAL A 47 -24.980 12.560 9.044 1.00 0.00 N ATOM 734 CA VAL A 47 -24.262 13.796 8.739 1.00 0.00 C ATOM 735 C VAL A 47 -24.191 14.123 7.244 1.00 0.00 C ATOM 736 O VAL A 47 -24.055 15.280 6.866 1.00 0.00 O ATOM 737 CB VAL A 47 -22.863 13.755 9.344 1.00 0.00 C ATOM 738 CG1 VAL A 47 -21.881 12.976 8.495 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.336 15.170 9.564 1.00 0.00 C ATOM 0 H VAL A 47 -24.433 11.871 9.561 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.840 14.602 9.192 1.00 0.00 H new ATOM 0 HB VAL A 47 -22.953 13.238 10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -20.902 12.980 8.974 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.228 11.948 8.388 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.805 13.438 7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.337 15.123 9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.294 15.695 8.610 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -23.000 15.704 10.243 1.00 0.00 H new ATOM 749 N MET A 48 -24.268 13.097 6.403 1.00 0.00 N ATOM 750 CA MET A 48 -24.352 13.201 4.963 1.00 0.00 C ATOM 751 C MET A 48 -25.495 14.145 4.606 1.00 0.00 C ATOM 752 O MET A 48 -25.235 15.172 4.001 1.00 0.00 O ATOM 753 CB MET A 48 -24.507 11.817 4.331 1.00 0.00 C ATOM 754 CG MET A 48 -24.671 11.852 2.808 1.00 0.00 C ATOM 755 SD MET A 48 -23.166 11.503 1.855 1.00 0.00 S ATOM 756 CE MET A 48 -22.312 13.099 1.934 1.00 0.00 C ATOM 0 H MET A 48 -24.273 12.130 6.728 1.00 0.00 H new ATOM 0 HA MET A 48 -23.430 13.617 4.558 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.634 11.213 4.580 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.373 11.321 4.770 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.436 11.129 2.525 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.042 12.836 2.522 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.331 13.010 1.468 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.898 13.852 1.406 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.193 13.397 2.976 1.00 0.00 H new ATOM 766 N ASN A 49 -26.728 13.855 5.028 1.00 0.00 N ATOM 767 CA ASN A 49 -27.877 14.743 4.857 1.00 0.00 C ATOM 768 C ASN A 49 -27.702 16.101 5.539 1.00 0.00 C ATOM 769 O ASN A 49 -28.358 17.062 5.139 1.00 0.00 O ATOM 770 CB ASN A 49 -29.094 14.026 5.451 1.00 0.00 C ATOM 771 CG ASN A 49 -30.397 14.820 5.408 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.737 15.456 4.414 1.00 0.00 O ATOM 773 ND2 ASN A 49 -31.149 14.773 6.505 1.00 0.00 N ATOM 0 H ASN A 49 -26.958 12.983 5.505 1.00 0.00 H new ATOM 0 HA ASN A 49 -27.996 14.953 3.794 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.240 13.088 4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.876 13.771 6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -32.037 15.275 6.537 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.838 14.235 7.314 1.00 0.00 H new ATOM 780 N MET A 50 -26.840 16.206 6.553 1.00 0.00 N ATOM 781 CA MET A 50 -26.682 17.417 7.311 1.00 0.00 C ATOM 782 C MET A 50 -25.754 18.368 6.540 1.00 0.00 C ATOM 783 O MET A 50 -26.221 19.372 6.022 1.00 0.00 O ATOM 784 CB MET A 50 -26.162 17.032 8.696 1.00 0.00 C ATOM 785 CG MET A 50 -26.938 15.981 9.462 1.00 0.00 C ATOM 786 SD MET A 50 -28.572 16.419 10.089 1.00 0.00 S ATOM 787 CE MET A 50 -28.368 15.686 11.731 1.00 0.00 C ATOM 0 H MET A 50 -26.237 15.443 6.860 1.00 0.00 H new ATOM 0 HA MET A 50 -27.621 17.952 7.450 1.00 0.00 H new ATOM 0 HB2 MET A 50 -25.136 16.680 8.585 1.00 0.00 H new ATOM 0 HB3 MET A 50 -26.125 17.935 9.305 1.00 0.00 H new ATOM 0 HG2 MET A 50 -27.052 15.112 8.814 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.328 15.669 10.310 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.345 15.417 12.133 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.748 14.793 11.656 1.00 0.00 H new ATOM 0 HE3 MET A 50 -27.888 16.406 12.394 1.00 0.00 H new ATOM 797 N GLN A 51 -24.466 18.031 6.390 1.00 0.00 N ATOM 798 CA GLN A 51 -23.448 18.736 5.590 1.00 0.00 C ATOM 799 C GLN A 51 -23.877 18.945 4.134 1.00 0.00 C ATOM 800 O GLN A 51 -23.317 19.802 3.451 1.00 0.00 O ATOM 801 CB GLN A 51 -22.123 17.935 5.730 1.00 0.00 C ATOM 802 CG GLN A 51 -21.187 17.766 4.524 1.00 0.00 C ATOM 803 CD GLN A 51 -21.765 16.982 3.353 1.00 0.00 C ATOM 804 OE1 GLN A 51 -21.468 17.282 2.204 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.584 15.974 3.623 1.00 0.00 N ATOM 0 H GLN A 51 -24.080 17.208 6.852 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.308 19.750 5.966 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.544 18.406 6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -22.386 16.936 6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.897 18.755 4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -20.277 17.268 4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -22.813 15.748 4.591 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -22.985 15.425 2.863 1.00 0.00 H new ATOM 814 N ALA A 52 -24.877 18.191 3.665 1.00 0.00 N ATOM 815 CA ALA A 52 -25.468 18.301 2.362 1.00 0.00 C ATOM 816 C ALA A 52 -26.267 19.593 2.187 1.00 0.00 C ATOM 817 O ALA A 52 -26.716 19.837 1.066 1.00 0.00 O ATOM 818 CB ALA A 52 -26.314 17.061 2.071 1.00 0.00 C ATOM 0 H ALA A 52 -25.305 17.455 4.227 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.662 18.353 1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.761 17.149 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.683 16.173 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -27.103 16.975 2.818 1.00 0.00 H new ATOM 824 N LYS A 53 -26.417 20.439 3.227 1.00 0.00 N ATOM 825 CA LYS A 53 -26.869 21.805 2.996 1.00 0.00 C ATOM 826 C LYS A 53 -25.885 22.784 3.608 1.00 0.00 C ATOM 827 O LYS A 53 -25.152 22.446 4.536 1.00 0.00 O ATOM 828 CB LYS A 53 -28.306 22.006 3.484 1.00 0.00 C ATOM 829 CG LYS A 53 -28.497 21.861 5.001 1.00 0.00 C ATOM 830 CD LYS A 53 -28.889 20.439 5.380 1.00 0.00 C ATOM 831 CE LYS A 53 -30.377 20.159 5.134 1.00 0.00 C ATOM 832 NZ LYS A 53 -30.614 18.747 4.770 1.00 0.00 N ATOM 0 H LYS A 53 -26.235 20.201 4.202 1.00 0.00 H new ATOM 0 HA LYS A 53 -26.894 22.001 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.642 22.998 3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -28.950 21.285 2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.574 22.134 5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -29.267 22.554 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -28.289 19.734 4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.659 20.269 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -30.947 20.404 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -30.742 20.807 4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -30.874 18.687 3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -29.748 18.195 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -31.386 18.364 5.351 1.00 0.00 H new ATOM 846 N ALA A 54 -25.885 24.013 3.090 1.00 0.00 N ATOM 847 CA ALA A 54 -24.960 25.033 3.555 1.00 0.00 C ATOM 848 C ALA A 54 -25.342 25.576 4.930 1.00 0.00 C ATOM 849 O ALA A 54 -24.475 26.049 5.662 1.00 0.00 O ATOM 850 CB ALA A 54 -24.878 26.163 2.525 1.00 0.00 C ATOM 0 H ALA A 54 -26.516 24.320 2.350 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.979 24.571 3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -24.184 26.926 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.527 25.763 1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.865 26.605 2.390 1.00 0.00 H new ATOM 856 N GLU A 55 -26.616 25.429 5.307 1.00 0.00 N ATOM 857 CA GLU A 55 -27.152 25.720 6.621 1.00 0.00 C ATOM 858 C GLU A 55 -26.455 24.896 7.717 1.00 0.00 C ATOM 859 O GLU A 55 -26.509 25.257 8.884 1.00 0.00 O ATOM 860 CB GLU A 55 -28.660 25.416 6.641 1.00 0.00 C ATOM 861 CG GLU A 55 -29.480 25.938 5.449 1.00 0.00 C ATOM 862 CD GLU A 55 -30.934 25.466 5.537 1.00 0.00 C ATOM 863 OE1 GLU A 55 -31.166 24.274 5.230 1.00 0.00 O ATOM 864 OE2 GLU A 55 -31.793 26.296 5.907 1.00 0.00 O ATOM 0 H GLU A 55 -27.330 25.086 4.664 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.975 26.776 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.790 24.335 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -29.081 25.836 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.448 27.027 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -29.036 25.589 4.517 1.00 0.00 H new ATOM 871 N PHE A 56 -25.781 23.797 7.366 1.00 0.00 N ATOM 872 CA PHE A 56 -25.042 22.977 8.311 1.00 0.00 C ATOM 873 C PHE A 56 -23.802 23.687 8.824 1.00 0.00 C ATOM 874 O PHE A 56 -23.566 23.792 10.025 1.00 0.00 O ATOM 875 CB PHE A 56 -24.618 21.712 7.575 1.00 0.00 C ATOM 876 CG PHE A 56 -23.743 20.719 8.309 1.00 0.00 C ATOM 877 CD1 PHE A 56 -24.359 19.715 9.060 1.00 0.00 C ATOM 878 CD2 PHE A 56 -22.347 20.686 8.117 1.00 0.00 C ATOM 879 CE1 PHE A 56 -23.609 18.637 9.558 1.00 0.00 C ATOM 880 CE2 PHE A 56 -21.596 19.614 8.633 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.231 18.580 9.334 1.00 0.00 C ATOM 0 H PHE A 56 -25.737 23.454 6.406 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.676 22.759 9.171 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.522 21.191 7.260 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -24.092 22.014 6.669 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -25.419 19.768 9.259 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -21.856 21.481 7.576 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -24.098 17.851 10.115 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -20.526 19.588 8.488 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.657 17.742 9.700 1.00 0.00 H new ATOM 891 N TYR A 57 -22.979 24.112 7.870 1.00 0.00 N ATOM 892 CA TYR A 57 -21.703 24.735 8.179 1.00 0.00 C ATOM 893 C TYR A 57 -21.904 26.187 8.629 1.00 0.00 C ATOM 894 O TYR A 57 -21.179 26.685 9.492 1.00 0.00 O ATOM 895 CB TYR A 57 -20.744 24.579 6.985 1.00 0.00 C ATOM 896 CG TYR A 57 -21.003 25.407 5.737 1.00 0.00 C ATOM 897 CD1 TYR A 57 -20.711 26.786 5.725 1.00 0.00 C ATOM 898 CD2 TYR A 57 -21.432 24.776 4.553 1.00 0.00 C ATOM 899 CE1 TYR A 57 -20.884 27.542 4.553 1.00 0.00 C ATOM 900 CE2 TYR A 57 -21.576 25.518 3.368 1.00 0.00 C ATOM 901 CZ TYR A 57 -21.316 26.907 3.365 1.00 0.00 C ATOM 902 OH TYR A 57 -21.476 27.625 2.217 1.00 0.00 O ATOM 0 H TYR A 57 -23.178 24.034 6.873 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.234 24.229 9.023 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.738 24.811 7.335 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.746 23.529 6.693 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.352 27.265 6.624 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.651 23.718 4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.688 28.604 4.559 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.886 25.026 2.458 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.777 27.030 1.498 1.00 0.00 H new ATOM 912 N SER A 58 -22.925 26.844 8.066 1.00 0.00 N ATOM 913 CA SER A 58 -23.292 28.215 8.371 1.00 0.00 C ATOM 914 C SER A 58 -23.951 28.300 9.749 1.00 0.00 C ATOM 915 O SER A 58 -23.667 29.243 10.489 1.00 0.00 O ATOM 916 CB SER A 58 -24.222 28.734 7.266 1.00 0.00 C ATOM 917 OG SER A 58 -24.551 30.095 7.457 1.00 0.00 O ATOM 0 H SER A 58 -23.531 26.416 7.366 1.00 0.00 H new ATOM 0 HA SER A 58 -22.400 28.841 8.404 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.740 28.609 6.296 1.00 0.00 H new ATOM 0 HB3 SER A 58 -25.134 28.138 7.248 1.00 0.00 H new ATOM 0 HG SER A 58 -25.143 30.393 6.735 1.00 0.00 H new ATOM 923 N GLU A 59 -24.810 27.332 10.105 1.00 0.00 N ATOM 924 CA GLU A 59 -25.709 27.446 11.243 1.00 0.00 C ATOM 925 C GLU A 59 -25.452 26.248 12.152 1.00 0.00 C ATOM 926 O GLU A 59 -25.569 25.099 11.731 1.00 0.00 O ATOM 927 CB GLU A 59 -27.188 27.582 10.819 1.00 0.00 C ATOM 928 CG GLU A 59 -27.469 28.165 9.414 1.00 0.00 C ATOM 929 CD GLU A 59 -28.611 29.179 9.431 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.764 28.745 9.643 1.00 0.00 O ATOM 931 OE2 GLU A 59 -28.304 30.377 9.241 1.00 0.00 O ATOM 0 H GLU A 59 -24.894 26.448 9.603 1.00 0.00 H new ATOM 0 HA GLU A 59 -25.506 28.367 11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.647 26.595 10.873 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -27.694 28.210 11.553 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.566 28.643 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.715 27.354 8.728 1.00 0.00 H new ATOM 938 N VAL A 60 -25.039 26.544 13.388 1.00 0.00 N ATOM 939 CA VAL A 60 -24.494 25.608 14.362 1.00 0.00 C ATOM 940 C VAL A 60 -25.347 24.350 14.518 1.00 0.00 C ATOM 941 O VAL A 60 -26.569 24.400 14.457 1.00 0.00 O ATOM 942 CB VAL A 60 -24.290 26.367 15.689 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.591 26.936 16.287 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.579 25.517 16.725 1.00 0.00 C ATOM 0 H VAL A 60 -25.080 27.496 13.751 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.533 25.234 14.009 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.659 27.216 15.427 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -25.366 27.456 17.219 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -26.041 27.634 15.581 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -26.287 26.121 16.485 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.456 26.090 17.644 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -24.170 24.624 16.931 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.600 25.225 16.346 1.00 0.00 H new ATOM 954 N LEU A 61 -24.678 23.222 14.753 1.00 0.00 N ATOM 955 CA LEU A 61 -25.261 21.899 14.881 1.00 0.00 C ATOM 956 C LEU A 61 -25.202 21.492 16.353 1.00 0.00 C ATOM 957 O LEU A 61 -24.300 21.945 17.056 1.00 0.00 O ATOM 958 CB LEU A 61 -24.402 20.928 14.069 1.00 0.00 C ATOM 959 CG LEU A 61 -24.121 21.318 12.597 1.00 0.00 C ATOM 960 CD1 LEU A 61 -23.133 20.312 12.018 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.335 21.424 11.660 1.00 0.00 C ATOM 0 H LEU A 61 -23.664 23.212 14.864 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.292 21.888 14.527 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.446 20.810 14.579 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -24.890 19.953 14.076 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.731 22.335 12.644 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.920 20.567 10.980 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.208 20.337 12.595 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.563 19.312 12.065 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -25.000 21.703 10.661 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.846 20.462 11.616 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -26.021 22.182 12.038 1.00 0.00 H new ATOM 973 N THR A 62 -26.091 20.600 16.816 1.00 0.00 N ATOM 974 CA THR A 62 -26.082 20.154 18.202 1.00 0.00 C ATOM 975 C THR A 62 -25.665 18.683 18.219 1.00 0.00 C ATOM 976 O THR A 62 -26.511 17.805 18.123 1.00 0.00 O ATOM 977 CB THR A 62 -27.449 20.405 18.859 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.926 21.712 18.594 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.366 20.215 20.370 1.00 0.00 C ATOM 0 H THR A 62 -26.822 20.178 16.244 1.00 0.00 H new ATOM 0 HA THR A 62 -25.364 20.722 18.794 1.00 0.00 H new ATOM 0 HB THR A 62 -28.141 19.681 18.430 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.859 21.785 18.885 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.345 20.398 20.814 1.00 0.00 H new ATOM 0 HG22 THR A 62 -27.052 19.195 20.592 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.642 20.916 20.786 1.00 0.00 H new ATOM 987 N ILE A 63 -24.369 18.378 18.282 1.00 0.00 N ATOM 988 CA ILE A 63 -23.918 17.009 18.440 1.00 0.00 C ATOM 989 C ILE A 63 -24.246 16.500 19.842 1.00 0.00 C ATOM 990 O ILE A 63 -23.679 16.947 20.833 1.00 0.00 O ATOM 991 CB ILE A 63 -22.440 16.871 18.019 1.00 0.00 C ATOM 992 CG1 ILE A 63 -22.354 16.741 16.502 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.824 15.588 18.516 1.00 0.00 C ATOM 994 CD1 ILE A 63 -21.980 18.012 15.869 1.00 0.00 C ATOM 0 H ILE A 63 -23.618 19.066 18.225 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.463 16.351 17.763 1.00 0.00 H new ATOM 0 HB ILE A 63 -21.931 17.746 18.424 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -21.622 15.976 16.243 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -23.315 16.408 16.110 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.784 15.536 18.195 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -21.870 15.560 19.605 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.373 14.739 18.108 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.929 17.879 14.788 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.726 18.770 16.107 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -21.007 18.332 16.242 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.195 15.563 19.896 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.731 14.974 21.109 1.00 0.00 C ATOM 1008 C VAL A 64 -24.927 13.708 21.397 1.00 0.00 C ATOM 1009 O VAL A 64 -25.283 12.623 20.943 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.247 14.754 20.973 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -27.878 14.137 22.215 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -27.957 16.084 20.744 1.00 0.00 C ATOM 0 H VAL A 64 -25.625 15.182 19.053 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.626 15.636 21.969 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.365 14.072 20.131 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -28.948 14.008 22.054 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.421 13.167 22.411 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -27.716 14.794 23.070 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -29.029 15.913 20.650 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.769 16.747 21.588 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.581 16.544 19.830 1.00 0.00 H new ATOM 1022 N VAL A 65 -23.805 13.877 22.100 1.00 0.00 N ATOM 1023 CA VAL A 65 -22.842 12.848 22.450 1.00 0.00 C ATOM 1024 C VAL A 65 -23.438 12.019 23.580 1.00 0.00 C ATOM 1025 O VAL A 65 -23.390 12.409 24.746 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.440 13.439 22.724 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -21.053 14.377 21.592 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.281 14.282 23.985 1.00 0.00 C ATOM 0 H VAL A 65 -23.535 14.793 22.458 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.660 12.174 21.613 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.820 12.549 22.831 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -20.064 14.793 21.786 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -21.036 13.825 20.652 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.780 15.186 21.525 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.253 14.635 24.059 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -21.956 15.137 23.939 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.521 13.677 24.860 1.00 0.00 H new ATOM 1038 N ASP A 66 -24.071 10.899 23.213 1.00 0.00 N ATOM 1039 CA ASP A 66 -24.686 9.968 24.153 1.00 0.00 C ATOM 1040 C ASP A 66 -25.747 10.649 25.049 1.00 0.00 C ATOM 1041 O ASP A 66 -26.000 10.212 26.170 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.548 9.255 24.911 1.00 0.00 C ATOM 1043 CG ASP A 66 -24.016 8.040 25.716 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -24.788 7.234 25.149 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -23.566 7.919 26.877 1.00 0.00 O ATOM 0 H ASP A 66 -24.169 10.614 22.239 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.268 9.210 23.628 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -22.790 8.936 24.196 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -23.071 9.966 25.586 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.356 11.742 24.557 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.381 12.516 25.255 1.00 0.00 C ATOM 1052 C GLY A 67 -26.924 13.907 25.714 1.00 0.00 C ATOM 1053 O GLY A 67 -27.757 14.676 26.190 1.00 0.00 O ATOM 0 H GLY A 67 -26.137 12.117 23.634 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.243 12.629 24.598 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -27.715 11.951 26.125 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.634 14.249 25.576 1.00 0.00 N ATOM 1058 CA LYS A 68 -25.075 15.540 25.985 1.00 0.00 C ATOM 1059 C LYS A 68 -24.959 16.425 24.761 1.00 0.00 C ATOM 1060 O LYS A 68 -24.346 16.029 23.781 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.693 15.340 26.609 1.00 0.00 C ATOM 1062 CG LYS A 68 -23.815 14.748 28.012 1.00 0.00 C ATOM 1063 CD LYS A 68 -22.633 13.838 28.374 1.00 0.00 C ATOM 1064 CE LYS A 68 -21.299 14.591 28.318 1.00 0.00 C ATOM 1065 NZ LYS A 68 -20.164 13.703 28.632 1.00 0.00 N ATOM 0 H LYS A 68 -24.940 13.622 25.169 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.727 16.006 26.724 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.097 14.679 25.980 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.168 16.294 26.656 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.882 15.557 28.739 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.742 14.179 28.083 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.780 13.432 29.375 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.602 12.992 27.688 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -21.163 15.020 27.325 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.319 15.421 29.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.277 14.244 28.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.282 13.314 29.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.131 12.924 27.943 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.556 17.610 24.812 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.866 18.396 23.623 1.00 0.00 C ATOM 1081 C GLU A 69 -24.805 19.480 23.388 1.00 0.00 C ATOM 1082 O GLU A 69 -24.710 20.417 24.181 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.281 18.969 23.775 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.309 17.894 24.163 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.729 18.330 23.801 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -30.095 18.147 22.618 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.418 18.858 24.701 1.00 0.00 O ATOM 0 H GLU A 69 -25.840 18.055 25.684 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.844 17.765 22.735 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.274 19.752 24.534 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.584 19.436 22.838 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.072 16.960 23.654 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.248 17.698 25.234 1.00 0.00 H new ATOM 1094 N ILE A 70 -23.984 19.338 22.331 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.797 20.176 22.110 1.00 0.00 C ATOM 1096 C ILE A 70 -22.996 21.004 20.841 1.00 0.00 C ATOM 1097 O ILE A 70 -23.246 20.452 19.774 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.497 19.329 22.041 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -20.973 18.846 23.407 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.369 20.143 21.410 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.860 17.777 24.016 1.00 0.00 C ATOM 0 H ILE A 70 -24.128 18.636 21.605 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.679 20.849 22.959 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.773 18.456 21.450 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -19.963 18.453 23.289 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -20.908 19.693 24.089 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.463 19.538 21.368 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.655 20.440 20.401 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -20.183 21.033 22.011 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.450 17.468 24.978 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.864 18.176 24.161 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -21.905 16.917 23.348 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.819 22.325 20.945 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.909 23.249 19.832 1.00 0.00 C ATOM 1115 C LYS A 71 -21.582 23.342 19.105 1.00 0.00 C ATOM 1116 O LYS A 71 -20.579 23.677 19.731 1.00 0.00 O ATOM 1117 CB LYS A 71 -23.389 24.620 20.349 1.00 0.00 C ATOM 1118 CG LYS A 71 -24.907 24.698 20.588 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.702 24.054 19.441 1.00 0.00 C ATOM 1120 CE LYS A 71 -26.953 24.800 19.008 1.00 0.00 C ATOM 1121 NZ LYS A 71 -28.102 24.497 19.879 1.00 0.00 N ATOM 0 H LYS A 71 -22.604 22.783 21.831 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.637 22.885 19.107 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -22.872 24.847 21.281 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -23.104 25.389 19.631 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -25.153 24.199 21.525 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -25.204 25.741 20.695 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -25.044 23.954 18.578 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -25.988 23.046 19.742 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.759 25.873 19.022 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -27.197 24.534 17.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.896 25.124 19.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.389 23.507 19.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.833 24.647 20.873 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.594 23.060 17.788 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.428 23.131 16.901 1.00 0.00 C ATOM 1137 C VAL A 72 -20.793 23.426 15.443 1.00 0.00 C ATOM 1138 O VAL A 72 -21.913 23.161 15.023 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.646 21.820 16.978 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -19.075 21.562 18.339 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.451 20.595 16.569 1.00 0.00 C ATOM 0 H VAL A 72 -22.442 22.768 17.303 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.818 23.965 17.248 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.840 21.966 16.258 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.531 20.618 18.332 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.395 22.371 18.608 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -19.883 21.510 19.069 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.827 19.705 16.651 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.316 20.493 17.224 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.788 20.708 15.539 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.833 23.928 14.652 1.00 0.00 N ATOM 1152 CA LYS A 73 -20.029 24.303 13.246 1.00 0.00 C ATOM 1153 C LYS A 73 -18.924 23.736 12.381 1.00 0.00 C ATOM 1154 O LYS A 73 -17.757 23.837 12.739 1.00 0.00 O ATOM 1155 CB LYS A 73 -19.944 25.814 13.087 1.00 0.00 C ATOM 1156 CG LYS A 73 -21.113 26.537 13.740 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.684 27.936 14.155 1.00 0.00 C ATOM 1158 CE LYS A 73 -20.202 28.829 12.999 1.00 0.00 C ATOM 1159 NZ LYS A 73 -21.098 28.827 11.821 1.00 0.00 N ATOM 0 H LYS A 73 -18.880 24.087 14.979 1.00 0.00 H new ATOM 0 HA LYS A 73 -21.004 23.918 12.947 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -19.011 26.170 13.524 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.914 26.063 12.026 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -21.951 26.594 13.046 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -21.458 25.979 14.610 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.522 28.427 14.650 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.884 27.853 14.890 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.099 29.852 13.362 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.210 28.500 12.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -20.890 29.654 11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -20.947 27.957 11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -22.088 28.869 12.138 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.300 23.198 11.223 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.375 22.539 10.318 1.00 0.00 C ATOM 1175 C ALA A 74 -17.346 23.505 9.731 1.00 0.00 C ATOM 1176 O ALA A 74 -17.717 24.598 9.300 1.00 0.00 O ATOM 1177 CB ALA A 74 -19.185 21.877 9.214 1.00 0.00 C ATOM 0 H ALA A 74 -20.263 23.210 10.888 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.807 21.794 10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.511 21.374 8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.867 21.147 9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.758 22.634 8.679 1.00 0.00 H new ATOM 1183 N GLN A 75 -16.078 23.068 9.675 1.00 0.00 N ATOM 1184 CA GLN A 75 -14.963 23.876 9.174 1.00 0.00 C ATOM 1185 C GLN A 75 -14.186 23.175 8.045 1.00 0.00 C ATOM 1186 O GLN A 75 -13.716 23.855 7.135 1.00 0.00 O ATOM 1187 CB GLN A 75 -14.050 24.292 10.346 1.00 0.00 C ATOM 1188 CG GLN A 75 -13.978 25.815 10.579 1.00 0.00 C ATOM 1189 CD GLN A 75 -15.335 26.516 10.716 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -16.136 26.214 11.594 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -15.602 27.490 9.848 1.00 0.00 N ATOM 0 H GLN A 75 -15.799 22.135 9.980 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.374 24.779 8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.406 23.812 11.258 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.044 23.916 10.160 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.397 26.002 11.482 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.434 26.269 9.750 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.924 27.728 9.124 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.484 27.998 9.907 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.093 21.837 8.064 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.498 20.996 7.031 1.00 0.00 C ATOM 1202 C ASP A 76 -14.254 19.669 7.061 1.00 0.00 C ATOM 1203 O ASP A 76 -13.995 18.789 7.883 1.00 0.00 O ATOM 1204 CB ASP A 76 -11.961 20.858 7.186 1.00 0.00 C ATOM 1205 CG ASP A 76 -11.373 19.531 6.667 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -11.584 19.258 5.465 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -10.703 18.812 7.452 1.00 0.00 O ATOM 0 H ASP A 76 -14.452 21.289 8.846 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.603 21.450 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.482 21.682 6.658 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.706 20.964 8.240 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.245 19.563 6.171 1.00 0.00 N ATOM 1213 CA VAL A 77 -15.775 18.281 5.734 1.00 0.00 C ATOM 1214 C VAL A 77 -14.832 17.785 4.627 1.00 0.00 C ATOM 1215 O VAL A 77 -14.323 18.563 3.818 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.241 18.390 5.246 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.241 18.827 6.329 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.398 19.382 4.104 1.00 0.00 C ATOM 0 H VAL A 77 -15.698 20.367 5.737 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.811 17.573 6.562 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.468 17.372 4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.242 18.877 5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.231 18.105 7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -17.959 19.809 6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.443 19.422 3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.078 20.370 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -16.785 19.066 3.260 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.650 16.470 4.571 1.00 0.00 N ATOM 1229 CA GLN A 78 -13.806 15.753 3.628 1.00 0.00 C ATOM 1230 C GLN A 78 -14.711 14.735 2.947 1.00 0.00 C ATOM 1231 O GLN A 78 -15.253 13.855 3.615 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.627 15.052 4.333 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.651 15.992 5.065 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.457 15.240 5.674 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.055 14.191 5.180 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -9.864 15.763 6.749 1.00 0.00 N ATOM 0 H GLN A 78 -15.117 15.840 5.223 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.359 16.440 2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.027 14.337 5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.069 14.480 3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.285 16.745 4.367 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.184 16.521 5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.210 16.636 7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.065 15.290 7.171 1.00 0.00 H new ATOM 1245 N ARG A 79 -14.918 14.875 1.634 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.714 13.935 0.849 1.00 0.00 C ATOM 1247 C ARG A 79 -14.933 12.636 0.611 1.00 0.00 C ATOM 1248 O ARG A 79 -13.716 12.589 0.793 1.00 0.00 O ATOM 1249 CB ARG A 79 -16.129 14.587 -0.481 1.00 0.00 C ATOM 1250 CG ARG A 79 -17.095 15.772 -0.305 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.481 15.328 0.191 1.00 0.00 C ATOM 1252 NE ARG A 79 -19.423 16.454 0.299 1.00 0.00 N ATOM 1253 CZ ARG A 79 -20.071 17.045 -0.722 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -19.836 16.700 -1.993 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -20.973 17.993 -0.461 1.00 0.00 N ATOM 0 H ARG A 79 -14.536 15.647 1.087 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.617 13.681 1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.236 14.930 -1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.600 13.835 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.669 16.483 0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.202 16.294 -1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.887 14.582 -0.492 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.379 14.848 1.164 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.601 16.820 1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.152 15.974 -2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.341 17.163 -2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.165 18.263 0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.471 18.448 -1.226 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.639 11.582 0.181 1.00 0.00 N ATOM 1270 CA HIS A 80 -15.027 10.348 -0.293 1.00 0.00 C ATOM 1271 C HIS A 80 -14.258 10.589 -1.603 1.00 0.00 C ATOM 1272 O HIS A 80 -14.525 11.565 -2.305 1.00 0.00 O ATOM 1273 CB HIS A 80 -16.101 9.271 -0.474 1.00 0.00 C ATOM 1274 CG HIS A 80 -15.989 8.108 0.478 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -16.066 8.134 1.853 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -15.889 6.800 0.097 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -16.011 6.861 2.281 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -15.909 6.010 1.247 1.00 0.00 N ATOM 0 H HIS A 80 -16.659 11.568 0.155 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.310 10.001 0.451 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -17.082 9.730 -0.352 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.050 8.894 -1.495 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.808 6.440 -0.918 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.044 6.562 3.318 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -15.857 4.992 1.293 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.321 9.690 -1.956 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.416 9.882 -3.079 1.00 0.00 C ATOM 1288 C PRO A 81 -13.036 9.525 -4.439 1.00 0.00 C ATOM 1289 O PRO A 81 -12.389 9.777 -5.455 1.00 0.00 O ATOM 1290 CB PRO A 81 -11.213 8.989 -2.760 1.00 0.00 C ATOM 1291 CG PRO A 81 -11.845 7.812 -2.020 1.00 0.00 C ATOM 1292 CD PRO A 81 -12.986 8.466 -1.242 1.00 0.00 C ATOM 0 HA PRO A 81 -12.149 10.934 -3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.698 8.667 -3.665 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.479 9.506 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.211 7.052 -2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.132 7.323 -1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.848 7.801 -1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.683 8.684 -0.218 1.00 0.00 H new ATOM 1300 N TYR A 82 -14.252 8.950 -4.485 1.00 0.00 N ATOM 1301 CA TYR A 82 -14.895 8.604 -5.750 1.00 0.00 C ATOM 1302 C TYR A 82 -16.414 8.751 -5.674 1.00 0.00 C ATOM 1303 O TYR A 82 -17.018 9.492 -6.447 1.00 0.00 O ATOM 1304 CB TYR A 82 -14.469 7.191 -6.183 1.00 0.00 C ATOM 1305 CG TYR A 82 -14.778 6.882 -7.635 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -13.850 7.236 -8.633 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -15.986 6.252 -7.992 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -14.119 6.959 -9.985 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -16.264 5.973 -9.343 1.00 0.00 C ATOM 1310 CZ TYR A 82 -15.330 6.324 -10.345 1.00 0.00 C ATOM 1311 OH TYR A 82 -15.601 6.049 -11.653 1.00 0.00 O ATOM 0 H TYR A 82 -14.802 8.719 -3.658 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.562 9.308 -6.513 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.398 7.076 -6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -14.971 6.459 -5.550 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.926 7.723 -8.358 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -16.700 5.983 -7.228 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.403 7.230 -10.746 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -17.191 5.491 -9.615 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.475 5.610 -11.721 1.00 0.00 H new ATOM 1321 N LYS A 83 -17.019 8.029 -4.732 1.00 0.00 N ATOM 1322 CA LYS A 83 -18.442 8.057 -4.410 1.00 0.00 C ATOM 1323 C LYS A 83 -18.760 9.324 -3.588 1.00 0.00 C ATOM 1324 O LYS A 83 -17.855 9.881 -2.969 1.00 0.00 O ATOM 1325 CB LYS A 83 -18.809 6.728 -3.710 1.00 0.00 C ATOM 1326 CG LYS A 83 -17.877 6.328 -2.551 1.00 0.00 C ATOM 1327 CD LYS A 83 -18.005 4.855 -2.143 1.00 0.00 C ATOM 1328 CE LYS A 83 -19.295 4.611 -1.371 1.00 0.00 C ATOM 1329 NZ LYS A 83 -19.405 3.206 -0.931 1.00 0.00 N ATOM 0 H LYS A 83 -16.502 7.376 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 83 -19.063 8.124 -5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -19.827 6.804 -3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.805 5.930 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.845 6.528 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -18.094 6.956 -1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.985 4.225 -3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.151 4.569 -1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -19.331 5.269 -0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -20.149 4.865 -1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.295 3.074 -0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -19.396 2.580 -1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.602 2.972 -0.312 1.00 0.00 H new ATOM 1343 N PRO A 84 -20.022 9.797 -3.550 1.00 0.00 N ATOM 1344 CA PRO A 84 -20.392 11.091 -2.961 1.00 0.00 C ATOM 1345 C PRO A 84 -20.430 11.106 -1.416 1.00 0.00 C ATOM 1346 O PRO A 84 -21.059 11.987 -0.834 1.00 0.00 O ATOM 1347 CB PRO A 84 -21.755 11.424 -3.588 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.378 10.050 -3.809 1.00 0.00 C ATOM 1349 CD PRO A 84 -21.171 9.219 -4.237 1.00 0.00 C ATOM 0 HA PRO A 84 -19.634 11.843 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -22.363 12.041 -2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -21.645 11.972 -4.524 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -22.840 9.661 -2.902 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -23.151 10.071 -4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.302 8.172 -3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -21.037 9.253 -5.318 1.00 0.00 H new ATOM 1357 N LYS A 85 -19.788 10.135 -0.750 1.00 0.00 N ATOM 1358 CA LYS A 85 -19.766 9.956 0.702 1.00 0.00 C ATOM 1359 C LYS A 85 -18.794 10.951 1.372 1.00 0.00 C ATOM 1360 O LYS A 85 -18.412 11.954 0.770 1.00 0.00 O ATOM 1361 CB LYS A 85 -19.441 8.473 0.981 1.00 0.00 C ATOM 1362 CG LYS A 85 -20.601 7.523 0.665 1.00 0.00 C ATOM 1363 CD LYS A 85 -21.767 7.617 1.659 1.00 0.00 C ATOM 1364 CE LYS A 85 -22.760 6.497 1.356 1.00 0.00 C ATOM 1365 NZ LYS A 85 -23.878 6.465 2.328 1.00 0.00 N ATOM 0 H LYS A 85 -19.245 9.421 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 85 -20.735 10.184 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.572 8.182 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.165 8.361 2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -20.972 7.738 -0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -20.227 6.499 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -21.400 7.530 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -22.256 8.588 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -23.159 6.629 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -22.240 5.539 1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -24.472 5.631 2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -23.497 6.415 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -24.452 7.327 2.226 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.424 10.696 2.634 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.546 11.507 3.473 1.00 0.00 C ATOM 1381 C LEU A 86 -16.460 10.593 4.046 1.00 0.00 C ATOM 1382 O LEU A 86 -16.739 9.457 4.427 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.347 12.166 4.615 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.402 13.192 4.142 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.616 13.215 5.079 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -18.847 14.614 4.050 1.00 0.00 C ATOM 0 H LEU A 86 -18.754 9.864 3.123 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.095 12.303 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -18.847 11.386 5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.651 12.663 5.291 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.697 12.865 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.340 13.946 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -21.078 12.228 5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.295 13.487 6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.633 15.290 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.492 14.930 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.020 14.637 3.340 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.218 11.078 4.092 1.00 0.00 N ATOM 1399 CA GLN A 87 -14.108 10.430 4.782 1.00 0.00 C ATOM 1400 C GLN A 87 -14.051 10.872 6.244 1.00 0.00 C ATOM 1401 O GLN A 87 -13.718 10.057 7.102 1.00 0.00 O ATOM 1402 CB GLN A 87 -12.786 10.793 4.080 1.00 0.00 C ATOM 1403 CG GLN A 87 -12.568 9.977 2.794 1.00 0.00 C ATOM 1404 CD GLN A 87 -11.655 8.769 2.979 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -10.665 8.619 2.271 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -11.990 7.881 3.910 1.00 0.00 N ATOM 0 H GLN A 87 -14.953 11.953 3.639 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.258 9.351 4.751 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.785 11.856 3.838 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.954 10.620 4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.535 9.637 2.422 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.144 10.628 2.029 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.819 8.032 4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.418 7.048 4.050 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.357 12.147 6.520 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.151 12.782 7.814 1.00 0.00 C ATOM 1417 C HIS A 88 -14.766 14.163 7.797 1.00 0.00 C ATOM 1418 O HIS A 88 -14.949 14.756 6.737 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.665 12.910 8.139 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.424 13.547 9.482 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -11.885 14.792 9.714 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.756 13.002 10.693 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.859 14.959 11.046 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.380 13.902 11.685 1.00 0.00 N ATOM 0 H HIS A 88 -14.765 12.775 5.827 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.622 12.160 8.575 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.205 11.922 8.121 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.176 13.503 7.366 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.227 12.043 10.851 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.467 15.835 11.541 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.480 13.782 12.693 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.088 14.665 8.988 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.635 15.982 9.201 1.00 0.00 C ATOM 1434 C ILE A 89 -15.085 16.480 10.527 1.00 0.00 C ATOM 1435 O ILE A 89 -14.898 15.708 11.465 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.177 15.916 9.209 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.711 15.366 7.868 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.760 17.308 9.505 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.189 15.035 7.888 1.00 0.00 C ATOM 0 H ILE A 89 -14.967 14.139 9.854 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.353 16.669 8.403 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.494 15.232 9.996 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.523 16.100 7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.151 14.469 7.605 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.849 17.253 9.509 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.410 17.649 10.479 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.435 18.010 8.737 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.490 14.655 6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.382 14.278 8.648 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.760 15.934 8.119 1.00 0.00 H new ATOM 1451 N ASP A 90 -14.915 17.792 10.622 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.729 18.470 11.888 1.00 0.00 C ATOM 1453 C ASP A 90 -15.838 19.483 12.090 1.00 0.00 C ATOM 1454 O ASP A 90 -16.491 19.919 11.139 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.342 19.113 11.977 1.00 0.00 C ATOM 1456 CG ASP A 90 -13.048 20.187 10.944 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -13.863 21.124 10.797 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -11.950 20.079 10.360 1.00 0.00 O ATOM 0 H ASP A 90 -14.903 18.415 9.815 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.783 17.738 12.694 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.226 19.548 12.970 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.591 18.329 11.883 1.00 0.00 H new ATOM 1463 N PHE A 91 -16.004 19.881 13.349 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.766 21.026 13.750 1.00 0.00 C ATOM 1465 C PHE A 91 -15.870 21.817 14.702 1.00 0.00 C ATOM 1466 O PHE A 91 -14.967 21.240 15.308 1.00 0.00 O ATOM 1467 CB PHE A 91 -18.053 20.526 14.406 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.706 19.263 13.863 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -19.644 19.349 12.822 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -18.449 18.011 14.456 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -20.334 18.197 12.408 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -19.119 16.856 14.018 1.00 0.00 C ATOM 1473 CZ PHE A 91 -20.073 16.949 12.997 1.00 0.00 C ATOM 0 H PHE A 91 -15.589 19.385 14.137 1.00 0.00 H new ATOM 0 HA PHE A 91 -17.061 21.676 12.926 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.843 20.362 15.463 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.787 21.329 14.348 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -19.835 20.297 12.341 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -17.728 17.938 15.257 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -21.075 18.272 11.626 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -18.899 15.899 14.468 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.603 16.069 12.665 1.00 0.00 H new ATOM 1483 N VAL A 92 -16.114 23.119 14.867 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.416 23.920 15.869 1.00 0.00 C ATOM 1485 C VAL A 92 -16.366 24.249 17.010 1.00 0.00 C ATOM 1486 O VAL A 92 -17.569 24.342 16.782 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.719 25.156 15.269 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -14.075 24.823 13.933 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.611 26.374 15.023 1.00 0.00 C ATOM 0 H VAL A 92 -16.794 23.641 14.315 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.597 23.328 16.278 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.995 25.422 16.039 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.590 25.713 13.531 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.333 24.037 14.073 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.840 24.480 13.236 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -15.015 27.182 14.600 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.407 26.108 14.327 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -16.048 26.701 15.966 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.815 24.422 18.218 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.520 24.665 19.475 1.00 0.00 C ATOM 1501 C ARG A 93 -17.380 25.933 19.380 1.00 0.00 C ATOM 1502 O ARG A 93 -16.898 27.035 19.646 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.490 24.783 20.617 1.00 0.00 C ATOM 1504 CG ARG A 93 -14.772 23.477 20.996 1.00 0.00 C ATOM 1505 CD ARG A 93 -15.560 22.622 21.994 1.00 0.00 C ATOM 1506 NE ARG A 93 -14.695 21.582 22.589 1.00 0.00 N ATOM 1507 CZ ARG A 93 -14.125 21.623 23.808 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -14.340 22.636 24.652 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -13.317 20.641 24.215 1.00 0.00 N ATOM 0 H ARG A 93 -14.804 24.394 18.348 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.189 23.830 19.681 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.740 25.520 20.332 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -15.996 25.169 21.502 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.590 22.895 20.093 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -13.798 23.716 21.422 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -15.968 23.256 22.781 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.406 22.154 21.491 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.512 20.754 22.022 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.950 23.406 24.379 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.894 22.639 25.569 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.126 19.850 23.600 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.890 20.682 25.141 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.648 25.763 18.989 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.672 26.806 19.054 1.00 0.00 C ATOM 1525 C ALA A 94 -20.275 26.916 20.468 1.00 0.00 C ATOM 1526 O ALA A 94 -19.673 26.372 21.422 1.00 0.00 O ATOM 1527 CB ALA A 94 -20.759 26.509 18.017 1.00 0.00 C ATOM 1528 OXT ALA A 94 -21.352 27.545 20.576 1.00 0.00 O ATOM 0 H ALA A 94 -18.995 24.881 18.612 1.00 0.00 H new ATOM 0 HA ALA A 94 -19.210 27.767 18.829 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.525 27.283 18.061 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -20.317 26.492 17.021 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.210 25.540 18.230 1.00 0.00 H new