USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 812 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 67 THR OG1 : rot -113:sc= 0.166 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0.446 USER MOD Set 2.1: A 49 TYR OH : rot 117:sc= 1.06 USER MOD Set 2.2: A 70 GLN : amide:sc= 0.62 K(o=1.7,f=-2.8!) USER MOD Set 3.1: A 43 LYS NZ :NH3+ -135:sc= -0.161 (180deg=-0.0299) USER MOD Set 3.2: A 46 GLN : amide:sc= 0.204 K(o=0.37,f=-0.95) USER MOD Set 3.3: A 48 TYR OH : rot 30:sc= 0.331 USER MOD Single : A 1 GLU N :NH3+ -179:sc= 0.505 (180deg=0.504) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 16 SER OG : rot 80:sc= 0.324 USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= 1.25 (180deg=0.976) USER MOD Single : A 24 ASN : amide:sc= -0.354 K(o=-0.35,f=-2.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 179:sc= -2.22! USER MOD Single : A 32 HIS : no HE2:sc= -4.8! C(o=-4.8!,f=-2.9!) USER MOD Single : A 35 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.0614) USER MOD Single : A 37 THR OG1 : rot -121:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 130:sc= -0.563 USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.18) USER MOD Single : A 53 MET CE :methyl -173:sc= -0.41 (180deg=-0.54) USER MOD Single : A 59 THR OG1 : rot 42:sc= 0.0907 USER MOD Single : A 66 SER OG : rot 180:sc= -0.891 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.158 (180deg=-0.426) USER MOD Single : A 77 THR OG1 : rot 80:sc= 0.563 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.053 X(o=-0.053,f=-0.4) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.291 USER MOD Single : A 93 GLN : amide:sc= -0.157 K(o=-0.16,f=-2!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.0576 X(o=-0.058,f=-0.00047) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 94:sc= 1.23 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 22.103 14.571 4.930 1.00 0.00 N ATOM 2 CA GLU A 1 23.422 14.915 4.316 1.00 0.00 C ATOM 3 C GLU A 1 24.474 13.859 4.684 1.00 0.00 C ATOM 4 O GLU A 1 25.042 13.218 3.821 1.00 0.00 O ATOM 5 CB GLU A 1 23.797 16.283 4.901 1.00 0.00 C ATOM 6 CG GLU A 1 23.322 17.394 3.960 1.00 0.00 C ATOM 7 CD GLU A 1 21.872 17.762 4.288 1.00 0.00 C ATOM 8 OE1 GLU A 1 20.986 17.049 3.847 1.00 0.00 O ATOM 9 OE2 GLU A 1 21.674 18.748 4.977 1.00 0.00 O ATOM 0 H1 GLU A 1 21.397 15.285 4.659 1.00 0.00 H new ATOM 0 H2 GLU A 1 21.797 13.636 4.594 1.00 0.00 H new ATOM 0 H3 GLU A 1 22.196 14.553 5.966 1.00 0.00 H new ATOM 0 HA GLU A 1 23.372 14.943 3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 1 23.342 16.406 5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 1 24.876 16.347 5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 1 23.962 18.270 4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 1 23.398 17.064 2.924 1.00 0.00 H new ATOM 18 N ALA A 2 24.736 13.674 5.957 1.00 0.00 N ATOM 19 CA ALA A 2 25.749 12.659 6.379 1.00 0.00 C ATOM 20 C ALA A 2 25.055 11.473 7.060 1.00 0.00 C ATOM 21 O ALA A 2 24.933 11.427 8.270 1.00 0.00 O ATOM 22 CB ALA A 2 26.663 13.393 7.363 1.00 0.00 C ATOM 0 H ALA A 2 24.291 14.183 6.721 1.00 0.00 H new ATOM 0 HA ALA A 2 26.308 12.255 5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 2 27.436 12.712 7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 2 27.130 14.242 6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 2 26.075 13.749 8.209 1.00 0.00 H new ATOM 28 N TYR A 3 24.601 10.515 6.281 1.00 0.00 N ATOM 29 CA TYR A 3 23.907 9.312 6.850 1.00 0.00 C ATOM 30 C TYR A 3 22.669 9.726 7.662 1.00 0.00 C ATOM 31 O TYR A 3 22.742 9.955 8.856 1.00 0.00 O ATOM 32 CB TYR A 3 24.946 8.624 7.745 1.00 0.00 C ATOM 33 CG TYR A 3 24.647 7.145 7.818 1.00 0.00 C ATOM 34 CD1 TYR A 3 23.751 6.659 8.779 1.00 0.00 C ATOM 35 CD2 TYR A 3 25.264 6.261 6.925 1.00 0.00 C ATOM 36 CE1 TYR A 3 23.472 5.290 8.845 1.00 0.00 C ATOM 37 CE2 TYR A 3 24.983 4.891 6.991 1.00 0.00 C ATOM 38 CZ TYR A 3 24.088 4.406 7.951 1.00 0.00 C ATOM 39 OH TYR A 3 23.812 3.056 8.016 1.00 0.00 O ATOM 0 H TYR A 3 24.683 10.516 5.264 1.00 0.00 H new ATOM 0 HA TYR A 3 23.549 8.645 6.065 1.00 0.00 H new ATOM 0 HB2 TYR A 3 25.948 8.784 7.347 1.00 0.00 H new ATOM 0 HB3 TYR A 3 24.927 9.060 8.744 1.00 0.00 H new ATOM 0 HD1 TYR A 3 23.276 7.341 9.469 1.00 0.00 H new ATOM 0 HD2 TYR A 3 25.956 6.636 6.186 1.00 0.00 H new ATOM 0 HE1 TYR A 3 22.781 4.915 9.586 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.457 4.209 6.301 1.00 0.00 H new ATOM 0 HH TYR A 3 24.322 2.584 7.324 1.00 0.00 H new ATOM 49 N VAL A 4 21.530 9.814 7.020 1.00 0.00 N ATOM 50 CA VAL A 4 20.280 10.206 7.745 1.00 0.00 C ATOM 51 C VAL A 4 19.257 9.062 7.703 1.00 0.00 C ATOM 52 O VAL A 4 19.285 8.224 6.820 1.00 0.00 O ATOM 53 CB VAL A 4 19.753 11.445 7.002 1.00 0.00 C ATOM 54 CG1 VAL A 4 19.241 11.053 5.610 1.00 0.00 C ATOM 55 CG2 VAL A 4 18.606 12.071 7.801 1.00 0.00 C ATOM 0 H VAL A 4 21.411 9.631 6.024 1.00 0.00 H new ATOM 0 HA VAL A 4 20.464 10.419 8.798 1.00 0.00 H new ATOM 0 HB VAL A 4 20.567 12.162 6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 4 18.871 11.940 5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 4 20.055 10.612 5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 4 18.433 10.328 5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 4 18.233 12.949 7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 4 17.801 11.345 7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 4 18.967 12.365 8.786 1.00 0.00 H new ATOM 65 N GLN A 5 18.352 9.028 8.649 1.00 0.00 N ATOM 66 CA GLN A 5 17.320 7.945 8.665 1.00 0.00 C ATOM 67 C GLN A 5 16.182 8.292 7.696 1.00 0.00 C ATOM 68 O GLN A 5 15.857 9.449 7.499 1.00 0.00 O ATOM 69 CB GLN A 5 16.804 7.894 10.106 1.00 0.00 C ATOM 70 CG GLN A 5 17.548 6.802 10.881 1.00 0.00 C ATOM 71 CD GLN A 5 16.562 6.044 11.774 1.00 0.00 C ATOM 72 OE1 GLN A 5 15.647 5.410 11.287 1.00 0.00 O ATOM 73 NE2 GLN A 5 16.711 6.079 13.072 1.00 0.00 N ATOM 0 H GLN A 5 18.283 9.703 9.411 1.00 0.00 H new ATOM 0 HA GLN A 5 17.728 6.984 8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 5 16.950 8.860 10.589 1.00 0.00 H new ATOM 0 HB3 GLN A 5 15.733 7.693 10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.029 6.113 10.187 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.337 7.246 11.488 1.00 0.00 H new ATOM 0 HE21 GLN A 5 17.478 6.611 13.483 1.00 0.00 H new ATOM 0 HE22 GLN A 5 16.060 5.575 13.674 1.00 0.00 H new ATOM 82 N GLY A 6 15.578 7.300 7.092 1.00 0.00 N ATOM 83 CA GLY A 6 14.464 7.569 6.138 1.00 0.00 C ATOM 84 C GLY A 6 13.641 6.295 5.916 1.00 0.00 C ATOM 85 O GLY A 6 13.206 6.017 4.815 1.00 0.00 O ATOM 0 H GLY A 6 15.810 6.315 7.220 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.824 8.361 6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.866 7.922 5.188 1.00 0.00 H new ATOM 89 N TRP A 7 13.419 5.524 6.955 1.00 0.00 N ATOM 90 CA TRP A 7 12.614 4.269 6.808 1.00 0.00 C ATOM 91 C TRP A 7 11.191 4.614 6.357 1.00 0.00 C ATOM 92 O TRP A 7 10.601 3.917 5.552 1.00 0.00 O ATOM 93 CB TRP A 7 12.600 3.625 8.201 1.00 0.00 C ATOM 94 CG TRP A 7 13.714 2.630 8.312 1.00 0.00 C ATOM 95 CD1 TRP A 7 15.019 2.890 8.060 1.00 0.00 C ATOM 96 CD2 TRP A 7 13.646 1.226 8.701 1.00 0.00 C ATOM 97 NE1 TRP A 7 15.754 1.736 8.267 1.00 0.00 N ATOM 98 CE2 TRP A 7 14.953 0.684 8.663 1.00 0.00 C ATOM 99 CE3 TRP A 7 12.589 0.377 9.077 1.00 0.00 C ATOM 100 CZ2 TRP A 7 15.202 -0.650 8.987 1.00 0.00 C ATOM 101 CZ3 TRP A 7 12.837 -0.966 9.405 1.00 0.00 C ATOM 102 CH2 TRP A 7 14.141 -1.478 9.359 1.00 0.00 C ATOM 0 H TRP A 7 13.760 5.710 7.898 1.00 0.00 H new ATOM 0 HA TRP A 7 13.034 3.594 6.062 1.00 0.00 H new ATOM 0 HB2 TRP A 7 12.708 4.392 8.967 1.00 0.00 H new ATOM 0 HB3 TRP A 7 11.643 3.134 8.375 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.421 3.843 7.748 1.00 0.00 H new ATOM 0 HE1 TRP A 7 16.764 1.671 8.142 1.00 0.00 H new ATOM 0 HE3 TRP A 7 11.580 0.761 9.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 16.209 -1.040 8.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 12.018 -1.608 9.694 1.00 0.00 H new ATOM 0 HH2 TRP A 7 14.325 -2.512 9.611 1.00 0.00 H new ATOM 113 N GLU A 8 10.648 5.700 6.858 1.00 0.00 N ATOM 114 CA GLU A 8 9.273 6.116 6.450 1.00 0.00 C ATOM 115 C GLU A 8 9.263 6.450 4.953 1.00 0.00 C ATOM 116 O GLU A 8 8.351 6.087 4.236 1.00 0.00 O ATOM 117 CB GLU A 8 8.964 7.360 7.295 1.00 0.00 C ATOM 118 CG GLU A 8 7.646 7.999 6.835 1.00 0.00 C ATOM 119 CD GLU A 8 7.936 9.120 5.830 1.00 0.00 C ATOM 120 OE1 GLU A 8 8.648 10.045 6.188 1.00 0.00 O ATOM 121 OE2 GLU A 8 7.440 9.035 4.719 1.00 0.00 O ATOM 0 H GLU A 8 11.102 6.315 7.533 1.00 0.00 H new ATOM 0 HA GLU A 8 8.530 5.335 6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.896 7.086 8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.777 8.081 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.006 7.245 6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.106 8.398 7.693 1.00 0.00 H new ATOM 128 N ALA A 9 10.281 7.131 4.483 1.00 0.00 N ATOM 129 CA ALA A 9 10.349 7.484 3.033 1.00 0.00 C ATOM 130 C ALA A 9 10.406 6.209 2.185 1.00 0.00 C ATOM 131 O ALA A 9 9.785 6.122 1.142 1.00 0.00 O ATOM 132 CB ALA A 9 11.636 8.297 2.872 1.00 0.00 C ATOM 0 H ALA A 9 11.068 7.457 5.044 1.00 0.00 H new ATOM 0 HA ALA A 9 9.475 8.048 2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.752 8.592 1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.584 9.188 3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.490 7.691 3.175 1.00 0.00 H new ATOM 138 N VAL A 10 11.135 5.214 2.635 1.00 0.00 N ATOM 139 CA VAL A 10 11.219 3.934 1.866 1.00 0.00 C ATOM 140 C VAL A 10 9.841 3.266 1.835 1.00 0.00 C ATOM 141 O VAL A 10 9.405 2.773 0.811 1.00 0.00 O ATOM 142 CB VAL A 10 12.237 3.063 2.620 1.00 0.00 C ATOM 143 CG1 VAL A 10 12.364 1.699 1.934 1.00 0.00 C ATOM 144 CG2 VAL A 10 13.605 3.752 2.620 1.00 0.00 C ATOM 0 H VAL A 10 11.674 5.235 3.501 1.00 0.00 H new ATOM 0 HA VAL A 10 11.527 4.088 0.832 1.00 0.00 H new ATOM 0 HB VAL A 10 11.894 2.925 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.087 1.087 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.395 1.200 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.701 1.838 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.324 3.132 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.941 3.893 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.524 4.721 3.112 1.00 0.00 H new ATOM 154 N ALA A 11 9.143 3.270 2.945 1.00 0.00 N ATOM 155 CA ALA A 11 7.781 2.661 2.978 1.00 0.00 C ATOM 156 C ALA A 11 6.818 3.517 2.148 1.00 0.00 C ATOM 157 O ALA A 11 5.951 3.004 1.464 1.00 0.00 O ATOM 158 CB ALA A 11 7.372 2.657 4.455 1.00 0.00 C ATOM 0 H ALA A 11 9.460 3.669 3.828 1.00 0.00 H new ATOM 0 HA ALA A 11 7.763 1.654 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.378 2.222 4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.086 2.067 5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.360 3.680 4.832 1.00 0.00 H new ATOM 164 N ALA A 12 6.981 4.819 2.191 1.00 0.00 N ATOM 165 CA ALA A 12 6.098 5.720 1.394 1.00 0.00 C ATOM 166 C ALA A 12 6.349 5.502 -0.102 1.00 0.00 C ATOM 167 O ALA A 12 5.425 5.485 -0.895 1.00 0.00 O ATOM 168 CB ALA A 12 6.487 7.142 1.808 1.00 0.00 C ATOM 0 H ALA A 12 7.691 5.295 2.747 1.00 0.00 H new ATOM 0 HA ALA A 12 5.040 5.529 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.877 7.860 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.322 7.267 2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.539 7.312 1.581 1.00 0.00 H new ATOM 174 N ALA A 13 7.591 5.318 -0.493 1.00 0.00 N ATOM 175 CA ALA A 13 7.896 5.081 -1.935 1.00 0.00 C ATOM 176 C ALA A 13 7.269 3.756 -2.378 1.00 0.00 C ATOM 177 O ALA A 13 6.704 3.656 -3.450 1.00 0.00 O ATOM 178 CB ALA A 13 9.422 5.014 -2.024 1.00 0.00 C ATOM 0 H ALA A 13 8.402 5.322 0.126 1.00 0.00 H new ATOM 0 HA ALA A 13 7.496 5.863 -2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.719 4.841 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.848 5.955 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.787 4.198 -1.401 1.00 0.00 H new ATOM 184 N VAL A 14 7.349 2.745 -1.545 1.00 0.00 N ATOM 185 CA VAL A 14 6.741 1.428 -1.899 1.00 0.00 C ATOM 186 C VAL A 14 5.223 1.594 -2.062 1.00 0.00 C ATOM 187 O VAL A 14 4.625 1.046 -2.970 1.00 0.00 O ATOM 188 CB VAL A 14 7.085 0.503 -0.722 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.210 -0.755 -0.762 1.00 0.00 C ATOM 190 CG2 VAL A 14 8.557 0.094 -0.814 1.00 0.00 C ATOM 0 H VAL A 14 7.810 2.778 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 14 7.115 1.022 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 14 6.902 1.035 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.464 -1.402 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.160 -0.470 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.383 -1.289 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.805 -0.563 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.731 -0.431 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.185 0.984 -0.774 1.00 0.00 H new ATOM 200 N ALA A 15 4.604 2.366 -1.198 1.00 0.00 N ATOM 201 CA ALA A 15 3.131 2.592 -1.312 1.00 0.00 C ATOM 202 C ALA A 15 2.827 3.321 -2.629 1.00 0.00 C ATOM 203 O ALA A 15 1.859 3.023 -3.306 1.00 0.00 O ATOM 204 CB ALA A 15 2.760 3.466 -0.110 1.00 0.00 C ATOM 0 H ALA A 15 5.057 2.847 -0.421 1.00 0.00 H new ATOM 0 HA ALA A 15 2.563 1.661 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.690 3.674 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.013 2.943 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.312 4.404 -0.158 1.00 0.00 H new ATOM 210 N SER A 16 3.663 4.265 -2.999 1.00 0.00 N ATOM 211 CA SER A 16 3.453 5.007 -4.280 1.00 0.00 C ATOM 212 C SER A 16 3.540 4.035 -5.459 1.00 0.00 C ATOM 213 O SER A 16 2.779 4.127 -6.405 1.00 0.00 O ATOM 214 CB SER A 16 4.585 6.035 -4.348 1.00 0.00 C ATOM 215 OG SER A 16 4.404 7.008 -3.328 1.00 0.00 O ATOM 0 H SER A 16 4.483 4.552 -2.465 1.00 0.00 H new ATOM 0 HA SER A 16 2.475 5.487 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.548 5.540 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.596 6.516 -5.326 1.00 0.00 H new ATOM 0 HG SER A 16 4.728 6.651 -2.475 1.00 0.00 H new ATOM 221 N LYS A 17 4.458 3.094 -5.404 1.00 0.00 N ATOM 222 CA LYS A 17 4.581 2.107 -6.518 1.00 0.00 C ATOM 223 C LYS A 17 3.299 1.272 -6.615 1.00 0.00 C ATOM 224 O LYS A 17 2.849 0.954 -7.695 1.00 0.00 O ATOM 225 CB LYS A 17 5.778 1.215 -6.168 1.00 0.00 C ATOM 226 CG LYS A 17 6.395 0.673 -7.461 1.00 0.00 C ATOM 227 CD LYS A 17 7.483 1.630 -7.955 1.00 0.00 C ATOM 228 CE LYS A 17 7.408 1.755 -9.482 1.00 0.00 C ATOM 229 NZ LYS A 17 7.900 0.448 -10.013 1.00 0.00 N ATOM 0 H LYS A 17 5.121 2.971 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 17 4.727 2.599 -7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.520 1.784 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.459 0.391 -5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.819 -0.316 -7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.624 0.559 -8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.356 2.609 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.466 1.263 -7.658 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.388 1.953 -9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.024 2.581 -9.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.260 0.579 -10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.665 0.092 -9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.119 -0.238 -10.025 1.00 0.00 H new ATOM 243 N ILE A 18 2.705 0.927 -5.493 1.00 0.00 N ATOM 244 CA ILE A 18 1.444 0.122 -5.528 1.00 0.00 C ATOM 245 C ILE A 18 0.341 0.906 -6.253 1.00 0.00 C ATOM 246 O ILE A 18 -0.445 0.337 -6.980 1.00 0.00 O ATOM 247 CB ILE A 18 1.064 -0.131 -4.058 1.00 0.00 C ATOM 248 CG1 ILE A 18 1.947 -1.257 -3.495 1.00 0.00 C ATOM 249 CG2 ILE A 18 -0.415 -0.535 -3.965 1.00 0.00 C ATOM 250 CD1 ILE A 18 1.282 -1.895 -2.269 1.00 0.00 C ATOM 0 H ILE A 18 3.039 1.168 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 18 1.574 -0.817 -6.066 1.00 0.00 H new ATOM 0 HB ILE A 18 1.219 0.779 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.115 -2.014 -4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.924 -0.859 -3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.679 -0.713 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.037 0.266 -4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.581 -1.445 -4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.919 -2.690 -1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.138 -1.138 -1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.316 -2.311 -2.554 1.00 0.00 H new ATOM 262 N VAL A 19 0.280 2.203 -6.068 1.00 0.00 N ATOM 263 CA VAL A 19 -0.776 3.008 -6.762 1.00 0.00 C ATOM 264 C VAL A 19 -0.570 2.935 -8.284 1.00 0.00 C ATOM 265 O VAL A 19 -1.497 2.672 -9.027 1.00 0.00 O ATOM 266 CB VAL A 19 -0.607 4.446 -6.250 1.00 0.00 C ATOM 267 CG1 VAL A 19 -1.419 5.407 -7.124 1.00 0.00 C ATOM 268 CG2 VAL A 19 -1.111 4.538 -4.806 1.00 0.00 C ATOM 0 H VAL A 19 0.911 2.737 -5.470 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.780 2.636 -6.558 1.00 0.00 H new ATOM 0 HB VAL A 19 0.448 4.717 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.296 6.426 -6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.067 5.348 -8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.473 5.132 -7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.991 5.559 -4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.165 4.262 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.536 3.859 -4.176 1.00 0.00 H new ATOM 278 N GLY A 20 0.636 3.157 -8.750 1.00 0.00 N ATOM 279 CA GLY A 20 0.900 3.094 -10.225 1.00 0.00 C ATOM 280 C GLY A 20 0.989 1.629 -10.701 1.00 0.00 C ATOM 281 O GLY A 20 0.930 1.357 -11.885 1.00 0.00 O ATOM 0 H GLY A 20 1.448 3.379 -8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.105 3.609 -10.764 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.830 3.614 -10.456 1.00 0.00 H new ATOM 285 N LEU A 21 1.142 0.692 -9.794 1.00 0.00 N ATOM 286 CA LEU A 21 1.248 -0.751 -10.190 1.00 0.00 C ATOM 287 C LEU A 21 -0.099 -1.479 -10.010 1.00 0.00 C ATOM 288 O LEU A 21 -0.301 -2.555 -10.541 1.00 0.00 O ATOM 289 CB LEU A 21 2.303 -1.322 -9.233 1.00 0.00 C ATOM 290 CG LEU A 21 2.619 -2.779 -9.581 1.00 0.00 C ATOM 291 CD1 LEU A 21 3.642 -2.827 -10.718 1.00 0.00 C ATOM 292 CD2 LEU A 21 3.197 -3.473 -8.342 1.00 0.00 C ATOM 0 H LEU A 21 1.198 0.866 -8.790 1.00 0.00 H new ATOM 0 HA LEU A 21 1.516 -0.874 -11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.213 -0.724 -9.289 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.942 -1.258 -8.206 1.00 0.00 H new ATOM 0 HG LEU A 21 1.708 -3.287 -9.898 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.865 -3.865 -10.963 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.234 -2.326 -11.596 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.557 -2.324 -10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.425 -4.512 -8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.109 -2.963 -8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.468 -3.438 -7.532 1.00 0.00 H new ATOM 304 N TRP A 22 -1.012 -0.910 -9.260 1.00 0.00 N ATOM 305 CA TRP A 22 -2.330 -1.572 -9.031 1.00 0.00 C ATOM 306 C TRP A 22 -3.179 -1.585 -10.313 1.00 0.00 C ATOM 307 O TRP A 22 -3.270 -0.607 -11.029 1.00 0.00 O ATOM 308 CB TRP A 22 -3.006 -0.734 -7.937 1.00 0.00 C ATOM 309 CG TRP A 22 -4.408 -1.211 -7.716 1.00 0.00 C ATOM 310 CD1 TRP A 22 -4.777 -2.502 -7.555 1.00 0.00 C ATOM 311 CD2 TRP A 22 -5.628 -0.422 -7.630 1.00 0.00 C ATOM 312 NE1 TRP A 22 -6.146 -2.554 -7.379 1.00 0.00 N ATOM 313 CE2 TRP A 22 -6.716 -1.298 -7.417 1.00 0.00 C ATOM 314 CE3 TRP A 22 -5.892 0.957 -7.717 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -8.024 -0.826 -7.295 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -7.207 1.437 -7.594 1.00 0.00 C ATOM 317 CH2 TRP A 22 -8.270 0.547 -7.384 1.00 0.00 C ATOM 0 H TRP A 22 -0.898 -0.010 -8.795 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.214 -2.616 -8.739 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.438 -0.807 -7.009 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.012 0.317 -8.225 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.111 -3.352 -7.563 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.672 -3.416 -7.238 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.080 1.650 -7.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.839 -1.516 -7.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.400 2.497 -7.662 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -9.278 0.922 -7.291 1.00 0.00 H new ATOM 328 N ARG A 23 -3.810 -2.700 -10.581 1.00 0.00 N ATOM 329 CA ARG A 23 -4.679 -2.830 -11.787 1.00 0.00 C ATOM 330 C ARG A 23 -6.154 -2.772 -11.356 1.00 0.00 C ATOM 331 O ARG A 23 -6.461 -2.319 -10.270 1.00 0.00 O ATOM 332 CB ARG A 23 -4.315 -4.205 -12.367 1.00 0.00 C ATOM 333 CG ARG A 23 -4.377 -4.156 -13.898 1.00 0.00 C ATOM 334 CD ARG A 23 -4.032 -5.536 -14.468 1.00 0.00 C ATOM 335 NE ARG A 23 -2.972 -5.286 -15.487 1.00 0.00 N ATOM 336 CZ ARG A 23 -1.770 -4.926 -15.114 1.00 0.00 C ATOM 337 NH1 ARG A 23 -1.059 -5.715 -14.350 1.00 0.00 N ATOM 338 NH2 ARG A 23 -1.281 -3.779 -15.506 1.00 0.00 N ATOM 0 H ARG A 23 -3.758 -3.539 -10.004 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.535 -2.036 -12.520 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.315 -4.493 -12.043 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.002 -4.962 -11.990 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.373 -3.855 -14.223 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.679 -3.409 -14.277 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.676 -6.207 -13.686 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.907 -6.006 -14.917 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.185 -5.396 -16.479 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.441 -6.610 -14.045 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.122 -5.435 -14.059 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.836 -3.165 -16.102 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.344 -3.498 -15.216 1.00 0.00 H new ATOM 352 N ASN A 24 -7.066 -3.217 -12.194 1.00 0.00 N ATOM 353 CA ASN A 24 -8.521 -3.186 -11.826 1.00 0.00 C ATOM 354 C ASN A 24 -8.729 -3.708 -10.397 1.00 0.00 C ATOM 355 O ASN A 24 -9.450 -3.119 -9.613 1.00 0.00 O ATOM 356 CB ASN A 24 -9.216 -4.111 -12.834 1.00 0.00 C ATOM 357 CG ASN A 24 -10.032 -3.286 -13.837 1.00 0.00 C ATOM 358 OD1 ASN A 24 -10.385 -2.151 -13.573 1.00 0.00 O ATOM 359 ND2 ASN A 24 -10.356 -3.814 -14.986 1.00 0.00 N ATOM 0 H ASN A 24 -6.864 -3.600 -13.117 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.922 -2.173 -11.856 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.473 -4.708 -13.363 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.869 -4.808 -12.309 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.903 -3.276 -15.658 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.062 -4.764 -15.211 1.00 0.00 H new ATOM 366 N GLU A 25 -8.093 -4.805 -10.052 1.00 0.00 N ATOM 367 CA GLU A 25 -8.246 -5.363 -8.667 1.00 0.00 C ATOM 368 C GLU A 25 -7.079 -6.303 -8.311 1.00 0.00 C ATOM 369 O GLU A 25 -7.244 -7.253 -7.567 1.00 0.00 O ATOM 370 CB GLU A 25 -9.577 -6.130 -8.689 1.00 0.00 C ATOM 371 CG GLU A 25 -9.476 -7.332 -9.639 1.00 0.00 C ATOM 372 CD GLU A 25 -10.686 -7.356 -10.577 1.00 0.00 C ATOM 373 OE1 GLU A 25 -11.759 -7.722 -10.123 1.00 0.00 O ATOM 374 OE2 GLU A 25 -10.516 -7.013 -11.734 1.00 0.00 O ATOM 0 H GLU A 25 -7.477 -5.337 -10.667 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.239 -4.575 -7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.826 -6.470 -7.684 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.382 -5.469 -9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.556 -7.272 -10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.431 -8.258 -9.065 1.00 0.00 H new ATOM 381 N LYS A 26 -5.903 -6.046 -8.829 1.00 0.00 N ATOM 382 CA LYS A 26 -4.735 -6.927 -8.518 1.00 0.00 C ATOM 383 C LYS A 26 -3.418 -6.147 -8.634 1.00 0.00 C ATOM 384 O LYS A 26 -3.360 -5.095 -9.236 1.00 0.00 O ATOM 385 CB LYS A 26 -4.796 -8.031 -9.575 1.00 0.00 C ATOM 386 CG LYS A 26 -3.975 -9.240 -9.110 1.00 0.00 C ATOM 387 CD LYS A 26 -4.607 -10.532 -9.641 1.00 0.00 C ATOM 388 CE LYS A 26 -3.818 -11.034 -10.858 1.00 0.00 C ATOM 389 NZ LYS A 26 -4.634 -10.638 -12.043 1.00 0.00 N ATOM 0 H LYS A 26 -5.702 -5.265 -9.453 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.774 -7.319 -7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.831 -8.327 -9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.409 -7.660 -10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.949 -9.153 -9.467 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.933 -9.266 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.612 -11.293 -8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.646 -10.352 -9.918 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.825 -10.586 -10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.679 -12.114 -10.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.156 -10.949 -12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.571 -11.085 -11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.744 -9.604 -12.059 1.00 0.00 H new ATOM 403 N THR A 27 -2.359 -6.668 -8.068 1.00 0.00 N ATOM 404 CA THR A 27 -1.036 -5.976 -8.147 1.00 0.00 C ATOM 405 C THR A 27 0.099 -6.987 -7.931 1.00 0.00 C ATOM 406 O THR A 27 -0.026 -7.914 -7.157 1.00 0.00 O ATOM 407 CB THR A 27 -1.056 -4.916 -7.035 1.00 0.00 C ATOM 408 OG1 THR A 27 0.126 -4.131 -7.109 1.00 0.00 O ATOM 409 CG2 THR A 27 -1.141 -5.585 -5.659 1.00 0.00 C ATOM 0 H THR A 27 -2.354 -7.548 -7.552 1.00 0.00 H new ATOM 0 HA THR A 27 -0.868 -5.518 -9.121 1.00 0.00 H new ATOM 0 HB THR A 27 -1.931 -4.280 -7.170 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.106 -3.443 -6.411 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.154 -4.820 -4.883 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.053 -6.179 -5.599 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.276 -6.233 -5.515 1.00 0.00 H new ATOM 417 N GLU A 28 1.200 -6.811 -8.615 1.00 0.00 N ATOM 418 CA GLU A 28 2.346 -7.761 -8.454 1.00 0.00 C ATOM 419 C GLU A 28 3.423 -7.123 -7.570 1.00 0.00 C ATOM 420 O GLU A 28 4.085 -6.185 -7.969 1.00 0.00 O ATOM 421 CB GLU A 28 2.873 -8.000 -9.872 1.00 0.00 C ATOM 422 CG GLU A 28 2.487 -9.409 -10.335 1.00 0.00 C ATOM 423 CD GLU A 28 3.754 -10.238 -10.560 1.00 0.00 C ATOM 424 OE1 GLU A 28 4.382 -10.603 -9.578 1.00 0.00 O ATOM 425 OE2 GLU A 28 4.080 -10.490 -11.708 1.00 0.00 O ATOM 0 H GLU A 28 1.357 -6.052 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 28 2.052 -8.696 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.460 -7.257 -10.554 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.957 -7.884 -9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.854 -9.888 -9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.907 -9.354 -11.256 1.00 0.00 H new ATOM 432 N LEU A 29 3.592 -7.610 -6.365 1.00 0.00 N ATOM 433 CA LEU A 29 4.610 -7.008 -5.447 1.00 0.00 C ATOM 434 C LEU A 29 5.746 -8.007 -5.160 1.00 0.00 C ATOM 435 O LEU A 29 5.502 -9.148 -4.815 1.00 0.00 O ATOM 436 CB LEU A 29 3.841 -6.672 -4.159 1.00 0.00 C ATOM 437 CG LEU A 29 2.476 -6.028 -4.484 1.00 0.00 C ATOM 438 CD1 LEU A 29 1.898 -5.398 -3.214 1.00 0.00 C ATOM 439 CD2 LEU A 29 2.627 -4.940 -5.563 1.00 0.00 C ATOM 0 H LEU A 29 3.071 -8.396 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 29 5.079 -6.126 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.689 -7.579 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.431 -5.992 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 29 1.808 -6.803 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.934 -4.942 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.766 -6.168 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.582 -4.635 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.652 -4.501 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.305 -4.165 -5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.031 -5.384 -6.473 1.00 0.00 H new ATOM 451 N LEU A 30 6.986 -7.580 -5.307 1.00 0.00 N ATOM 452 CA LEU A 30 8.161 -8.489 -5.055 1.00 0.00 C ATOM 453 C LEU A 30 8.070 -9.749 -5.931 1.00 0.00 C ATOM 454 O LEU A 30 8.530 -10.811 -5.556 1.00 0.00 O ATOM 455 CB LEU A 30 8.091 -8.861 -3.567 1.00 0.00 C ATOM 456 CG LEU A 30 9.460 -9.372 -3.097 1.00 0.00 C ATOM 457 CD1 LEU A 30 10.365 -8.190 -2.744 1.00 0.00 C ATOM 458 CD2 LEU A 30 9.281 -10.254 -1.860 1.00 0.00 C ATOM 0 H LEU A 30 7.235 -6.633 -5.593 1.00 0.00 H new ATOM 0 HA LEU A 30 9.103 -8.000 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.795 -7.993 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.332 -9.627 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 30 9.917 -9.951 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.335 -8.561 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.500 -7.560 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.906 -7.606 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.254 -10.616 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.818 -9.673 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.643 -11.103 -2.107 1.00 0.00 H new ATOM 470 N GLY A 31 7.478 -9.636 -7.093 1.00 0.00 N ATOM 471 CA GLY A 31 7.348 -10.822 -7.994 1.00 0.00 C ATOM 472 C GLY A 31 6.277 -11.778 -7.448 1.00 0.00 C ATOM 473 O GLY A 31 6.298 -12.964 -7.721 1.00 0.00 O ATOM 0 H GLY A 31 7.078 -8.771 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.080 -10.498 -9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.305 -11.339 -8.070 1.00 0.00 H new ATOM 477 N HIS A 32 5.343 -11.269 -6.679 1.00 0.00 N ATOM 478 CA HIS A 32 4.267 -12.130 -6.109 1.00 0.00 C ATOM 479 C HIS A 32 2.896 -11.568 -6.496 1.00 0.00 C ATOM 480 O HIS A 32 2.771 -10.406 -6.834 1.00 0.00 O ATOM 481 CB HIS A 32 4.458 -12.047 -4.595 1.00 0.00 C ATOM 482 CG HIS A 32 5.805 -12.601 -4.210 1.00 0.00 C ATOM 483 ND1 HIS A 32 6.280 -13.813 -4.690 1.00 0.00 N ATOM 484 CD2 HIS A 32 6.791 -12.110 -3.392 1.00 0.00 C ATOM 485 CE1 HIS A 32 7.502 -14.006 -4.160 1.00 0.00 C ATOM 486 NE2 HIS A 32 7.861 -12.999 -3.361 1.00 0.00 N ATOM 0 H HIS A 32 5.283 -10.284 -6.422 1.00 0.00 H new ATOM 0 HA HIS A 32 4.317 -13.156 -6.474 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.375 -11.011 -4.267 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.669 -12.605 -4.090 1.00 0.00 H new ATOM 0 HD1 HIS A 32 5.792 -14.442 -5.328 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.744 -11.175 -2.854 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.118 -14.871 -4.357 1.00 0.00 H new ATOM 494 N GLU A 33 1.864 -12.374 -6.442 1.00 0.00 N ATOM 495 CA GLU A 33 0.510 -11.862 -6.804 1.00 0.00 C ATOM 496 C GLU A 33 -0.216 -11.333 -5.560 1.00 0.00 C ATOM 497 O GLU A 33 -0.431 -12.048 -4.596 1.00 0.00 O ATOM 498 CB GLU A 33 -0.243 -13.055 -7.406 1.00 0.00 C ATOM 499 CG GLU A 33 -1.455 -12.544 -8.194 1.00 0.00 C ATOM 500 CD GLU A 33 -1.832 -13.551 -9.283 1.00 0.00 C ATOM 501 OE1 GLU A 33 -2.551 -14.486 -8.975 1.00 0.00 O ATOM 502 OE2 GLU A 33 -1.403 -13.365 -10.410 1.00 0.00 O ATOM 0 H GLU A 33 1.901 -13.355 -6.165 1.00 0.00 H new ATOM 0 HA GLU A 33 0.570 -11.033 -7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.417 -13.624 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.568 -13.731 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.299 -12.390 -7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.226 -11.578 -8.644 1.00 0.00 H new ATOM 509 N CYS A 34 -0.600 -10.084 -5.590 1.00 0.00 N ATOM 510 CA CYS A 34 -1.328 -9.476 -4.437 1.00 0.00 C ATOM 511 C CYS A 34 -2.675 -8.937 -4.918 1.00 0.00 C ATOM 512 O CYS A 34 -2.897 -8.774 -6.104 1.00 0.00 O ATOM 513 CB CYS A 34 -0.445 -8.327 -3.949 1.00 0.00 C ATOM 514 SG CYS A 34 0.894 -8.980 -2.924 1.00 0.00 S ATOM 0 H CYS A 34 -0.438 -9.452 -6.374 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.518 -10.197 -3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.033 -7.785 -4.800 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.040 -7.616 -3.377 1.00 0.00 H new ATOM 519 N LYS A 35 -3.574 -8.660 -4.015 1.00 0.00 N ATOM 520 CA LYS A 35 -4.906 -8.137 -4.431 1.00 0.00 C ATOM 521 C LYS A 35 -5.229 -6.822 -3.720 1.00 0.00 C ATOM 522 O LYS A 35 -5.483 -6.789 -2.530 1.00 0.00 O ATOM 523 CB LYS A 35 -5.906 -9.222 -4.035 1.00 0.00 C ATOM 524 CG LYS A 35 -7.239 -8.971 -4.748 1.00 0.00 C ATOM 525 CD LYS A 35 -7.413 -9.983 -5.884 1.00 0.00 C ATOM 526 CE LYS A 35 -8.719 -9.694 -6.637 1.00 0.00 C ATOM 527 NZ LYS A 35 -9.797 -10.309 -5.809 1.00 0.00 N ATOM 0 H LYS A 35 -3.445 -8.773 -3.009 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.936 -7.923 -5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.518 -10.205 -4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.053 -9.220 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.063 -9.058 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.265 -7.956 -5.144 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.567 -9.925 -6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.430 -10.996 -5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.876 -8.622 -6.754 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.699 -10.124 -7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.218 -11.108 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.395 -10.650 -4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.531 -9.599 -5.611 1.00 0.00 H new ATOM 541 N PHE A 36 -5.239 -5.743 -4.454 1.00 0.00 N ATOM 542 CA PHE A 36 -5.568 -4.414 -3.860 1.00 0.00 C ATOM 543 C PHE A 36 -6.929 -3.967 -4.407 1.00 0.00 C ATOM 544 O PHE A 36 -7.219 -4.152 -5.576 1.00 0.00 O ATOM 545 CB PHE A 36 -4.441 -3.486 -4.334 1.00 0.00 C ATOM 546 CG PHE A 36 -4.531 -2.136 -3.652 1.00 0.00 C ATOM 547 CD1 PHE A 36 -5.557 -1.242 -3.989 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.577 -1.770 -2.691 1.00 0.00 C ATOM 549 CE1 PHE A 36 -5.631 0.009 -3.368 1.00 0.00 C ATOM 550 CE2 PHE A 36 -3.652 -0.517 -2.070 1.00 0.00 C ATOM 551 CZ PHE A 36 -4.678 0.371 -2.409 1.00 0.00 C ATOM 0 H PHE A 36 -5.031 -5.725 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.637 -4.420 -2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.474 -3.942 -4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.501 -3.357 -5.415 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.292 -1.520 -4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.784 -2.455 -2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.423 0.695 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.918 -0.236 -1.329 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.735 1.337 -1.930 1.00 0.00 H new ATOM 561 N THR A 37 -7.777 -3.407 -3.582 1.00 0.00 N ATOM 562 CA THR A 37 -9.123 -2.981 -4.082 1.00 0.00 C ATOM 563 C THR A 37 -9.576 -1.672 -3.423 1.00 0.00 C ATOM 564 O THR A 37 -9.130 -1.315 -2.348 1.00 0.00 O ATOM 565 CB THR A 37 -10.074 -4.127 -3.706 1.00 0.00 C ATOM 566 OG1 THR A 37 -9.877 -4.488 -2.344 1.00 0.00 O ATOM 567 CG2 THR A 37 -9.803 -5.339 -4.601 1.00 0.00 C ATOM 0 H THR A 37 -7.600 -3.227 -2.594 1.00 0.00 H new ATOM 0 HA THR A 37 -9.106 -2.792 -5.155 1.00 0.00 H new ATOM 0 HB THR A 37 -11.103 -3.797 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.625 -5.433 -2.289 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.480 -6.149 -4.331 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.964 -5.065 -5.644 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.772 -5.667 -4.467 1.00 0.00 H new ATOM 575 N VAL A 38 -10.473 -0.962 -4.066 1.00 0.00 N ATOM 576 CA VAL A 38 -10.984 0.324 -3.497 1.00 0.00 C ATOM 577 C VAL A 38 -12.520 0.322 -3.499 1.00 0.00 C ATOM 578 O VAL A 38 -13.144 0.030 -4.503 1.00 0.00 O ATOM 579 CB VAL A 38 -10.436 1.422 -4.419 1.00 0.00 C ATOM 580 CG1 VAL A 38 -10.933 2.791 -3.946 1.00 0.00 C ATOM 581 CG2 VAL A 38 -8.905 1.409 -4.381 1.00 0.00 C ATOM 0 H VAL A 38 -10.875 -1.221 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.667 0.477 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.782 1.237 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.541 3.567 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.023 2.811 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.589 2.971 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.518 2.189 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.565 1.590 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.541 0.439 -4.718 1.00 0.00 H new ATOM 591 N LYS A 39 -13.131 0.645 -2.384 1.00 0.00 N ATOM 592 CA LYS A 39 -14.625 0.661 -2.318 1.00 0.00 C ATOM 593 C LYS A 39 -15.123 1.993 -1.730 1.00 0.00 C ATOM 594 O LYS A 39 -15.398 2.088 -0.550 1.00 0.00 O ATOM 595 CB LYS A 39 -15.000 -0.513 -1.407 1.00 0.00 C ATOM 596 CG LYS A 39 -16.390 -1.033 -1.787 1.00 0.00 C ATOM 597 CD LYS A 39 -17.440 -0.438 -0.843 1.00 0.00 C ATOM 598 CE LYS A 39 -18.725 -0.138 -1.626 1.00 0.00 C ATOM 599 NZ LYS A 39 -19.655 -1.257 -1.298 1.00 0.00 N ATOM 0 H LYS A 39 -12.658 0.898 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 39 -15.080 0.567 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.263 -1.311 -1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.992 -0.195 -0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.620 -0.764 -2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.410 -2.121 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.651 -1.135 -0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.058 0.476 -0.387 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -19.148 0.823 -1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.531 -0.089 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.556 -1.118 -1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.230 -2.159 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.828 -1.275 -0.273 1.00 0.00 H new ATOM 613 N PRO A 40 -15.224 2.981 -2.585 1.00 0.00 N ATOM 614 CA PRO A 40 -15.697 4.321 -2.152 1.00 0.00 C ATOM 615 C PRO A 40 -17.227 4.341 -2.030 1.00 0.00 C ATOM 616 O PRO A 40 -17.917 3.539 -2.632 1.00 0.00 O ATOM 617 CB PRO A 40 -15.253 5.235 -3.289 1.00 0.00 C ATOM 618 CG PRO A 40 -15.166 4.350 -4.495 1.00 0.00 C ATOM 619 CD PRO A 40 -14.908 2.945 -4.017 1.00 0.00 C ATOM 0 HA PRO A 40 -15.304 4.615 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -15.967 6.044 -3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.290 5.697 -3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -16.092 4.394 -5.069 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.365 4.682 -5.156 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.534 2.225 -4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.872 2.651 -4.188 1.00 0.00 H new ATOM 627 N TYR A 41 -17.764 5.268 -1.276 1.00 0.00 N ATOM 628 CA TYR A 41 -19.251 5.363 -1.141 1.00 0.00 C ATOM 629 C TYR A 41 -19.687 6.826 -1.151 1.00 0.00 C ATOM 630 O TYR A 41 -18.876 7.732 -1.217 1.00 0.00 O ATOM 631 CB TYR A 41 -19.657 4.701 0.191 1.00 0.00 C ATOM 632 CG TYR A 41 -18.484 4.551 1.135 1.00 0.00 C ATOM 633 CD1 TYR A 41 -18.176 5.578 2.033 1.00 0.00 C ATOM 634 CD2 TYR A 41 -17.718 3.379 1.122 1.00 0.00 C ATOM 635 CE1 TYR A 41 -17.103 5.435 2.918 1.00 0.00 C ATOM 636 CE2 TYR A 41 -16.642 3.238 2.005 1.00 0.00 C ATOM 637 CZ TYR A 41 -16.336 4.266 2.903 1.00 0.00 C ATOM 638 OH TYR A 41 -15.280 4.125 3.778 1.00 0.00 O ATOM 0 H TYR A 41 -17.237 5.963 -0.748 1.00 0.00 H new ATOM 0 HA TYR A 41 -19.735 4.856 -1.976 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -20.433 5.298 0.670 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -20.088 3.720 -0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.767 6.482 2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.958 2.584 0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.867 6.227 3.613 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.048 2.336 1.993 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.350 3.263 4.239 1.00 0.00 H new ATOM 648 N LEU A 42 -20.971 7.057 -1.094 1.00 0.00 N ATOM 649 CA LEU A 42 -21.483 8.457 -1.111 1.00 0.00 C ATOM 650 C LEU A 42 -22.600 8.653 -0.079 1.00 0.00 C ATOM 651 O LEU A 42 -23.275 7.721 0.313 1.00 0.00 O ATOM 652 CB LEU A 42 -22.021 8.666 -2.528 1.00 0.00 C ATOM 653 CG LEU A 42 -21.963 10.154 -2.886 1.00 0.00 C ATOM 654 CD1 LEU A 42 -21.188 10.338 -4.192 1.00 0.00 C ATOM 655 CD2 LEU A 42 -23.385 10.696 -3.057 1.00 0.00 C ATOM 0 H LEU A 42 -21.689 6.335 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 42 -20.702 9.173 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -21.433 8.087 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -23.047 8.305 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.460 10.698 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.148 11.397 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -20.175 9.955 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.689 9.793 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -23.343 11.755 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -23.889 10.151 -3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -23.937 10.569 -2.126 1.00 0.00 H new ATOM 667 N LYS A 43 -22.789 9.873 0.352 1.00 0.00 N ATOM 668 CA LYS A 43 -23.847 10.184 1.352 1.00 0.00 C ATOM 669 C LYS A 43 -24.674 11.380 0.866 1.00 0.00 C ATOM 670 O LYS A 43 -24.406 11.935 -0.184 1.00 0.00 O ATOM 671 CB LYS A 43 -23.082 10.538 2.630 1.00 0.00 C ATOM 672 CG LYS A 43 -23.897 10.117 3.855 1.00 0.00 C ATOM 673 CD LYS A 43 -22.949 9.784 5.012 1.00 0.00 C ATOM 674 CE LYS A 43 -23.269 10.677 6.217 1.00 0.00 C ATOM 675 NZ LYS A 43 -22.717 12.020 5.873 1.00 0.00 N ATOM 0 H LYS A 43 -22.244 10.679 0.046 1.00 0.00 H new ATOM 0 HA LYS A 43 -24.539 9.357 1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -22.114 10.037 2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.886 11.610 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -24.575 10.919 4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -24.513 9.250 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -23.051 8.734 5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.915 9.933 4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.343 10.727 6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.814 10.287 7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.204 12.405 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.066 11.932 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.496 12.661 5.620 1.00 0.00 H new ATOM 689 N ARG A 44 -25.673 11.772 1.622 1.00 0.00 N ATOM 690 CA ARG A 44 -26.541 12.934 1.221 1.00 0.00 C ATOM 691 C ARG A 44 -25.708 14.089 0.636 1.00 0.00 C ATOM 692 O ARG A 44 -26.111 14.727 -0.317 1.00 0.00 O ATOM 693 CB ARG A 44 -27.264 13.374 2.505 1.00 0.00 C ATOM 694 CG ARG A 44 -26.252 13.747 3.596 1.00 0.00 C ATOM 695 CD ARG A 44 -26.997 14.019 4.906 1.00 0.00 C ATOM 696 NE ARG A 44 -25.956 13.951 5.971 1.00 0.00 N ATOM 697 CZ ARG A 44 -25.731 14.990 6.731 1.00 0.00 C ATOM 698 NH1 ARG A 44 -24.895 15.916 6.341 1.00 0.00 N ATOM 699 NH2 ARG A 44 -26.343 15.102 7.879 1.00 0.00 N ATOM 0 H ARG A 44 -25.929 11.335 2.507 1.00 0.00 H new ATOM 0 HA ARG A 44 -27.244 12.647 0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -27.908 14.227 2.292 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -27.908 12.570 2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -25.534 12.939 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -25.686 14.629 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -27.479 14.996 4.889 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -27.781 13.280 5.074 1.00 0.00 H new ATOM 0 HE ARG A 44 -25.420 13.094 6.106 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -24.418 15.828 5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -24.719 16.727 6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -26.996 14.379 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -26.168 15.912 8.473 1.00 0.00 H new ATOM 713 N PHE A 45 -24.551 14.352 1.191 1.00 0.00 N ATOM 714 CA PHE A 45 -23.692 15.455 0.658 1.00 0.00 C ATOM 715 C PHE A 45 -22.209 15.193 0.976 1.00 0.00 C ATOM 716 O PHE A 45 -21.423 16.115 1.105 1.00 0.00 O ATOM 717 CB PHE A 45 -24.181 16.721 1.373 1.00 0.00 C ATOM 718 CG PHE A 45 -24.764 17.680 0.361 1.00 0.00 C ATOM 719 CD1 PHE A 45 -23.919 18.366 -0.521 1.00 0.00 C ATOM 720 CD2 PHE A 45 -26.149 17.883 0.303 1.00 0.00 C ATOM 721 CE1 PHE A 45 -24.459 19.255 -1.459 1.00 0.00 C ATOM 722 CE2 PHE A 45 -26.687 18.771 -0.635 1.00 0.00 C ATOM 723 CZ PHE A 45 -25.843 19.457 -1.516 1.00 0.00 C ATOM 0 H PHE A 45 -24.164 13.851 1.990 1.00 0.00 H new ATOM 0 HA PHE A 45 -23.766 15.542 -0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -24.932 16.462 2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -23.354 17.194 1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -22.851 18.209 -0.478 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -26.801 17.354 0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -23.808 19.785 -2.138 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -27.755 18.927 -0.679 1.00 0.00 H new ATOM 0 HZ PHE A 45 -26.259 20.142 -2.240 1.00 0.00 H new ATOM 733 N GLN A 46 -21.817 13.944 1.100 1.00 0.00 N ATOM 734 CA GLN A 46 -20.386 13.637 1.412 1.00 0.00 C ATOM 735 C GLN A 46 -19.919 12.384 0.662 1.00 0.00 C ATOM 736 O GLN A 46 -20.638 11.412 0.550 1.00 0.00 O ATOM 737 CB GLN A 46 -20.350 13.387 2.924 1.00 0.00 C ATOM 738 CG GLN A 46 -20.321 14.725 3.673 1.00 0.00 C ATOM 739 CD GLN A 46 -20.921 14.546 5.069 1.00 0.00 C ATOM 740 OE1 GLN A 46 -22.109 14.725 5.260 1.00 0.00 O ATOM 741 NE2 GLN A 46 -20.148 14.192 6.061 1.00 0.00 N ATOM 0 H GLN A 46 -22.424 13.130 0.999 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.727 14.450 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -21.223 12.809 3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -19.472 12.796 3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -19.296 15.087 3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -20.883 15.476 3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -19.152 14.041 5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -20.541 14.066 6.994 1.00 0.00 H new ATOM 750 N VAL A 47 -18.710 12.401 0.159 1.00 0.00 N ATOM 751 CA VAL A 47 -18.177 11.212 -0.574 1.00 0.00 C ATOM 752 C VAL A 47 -16.906 10.714 0.120 1.00 0.00 C ATOM 753 O VAL A 47 -15.971 11.465 0.322 1.00 0.00 O ATOM 754 CB VAL A 47 -17.862 11.706 -1.992 1.00 0.00 C ATOM 755 CG1 VAL A 47 -17.435 10.519 -2.862 1.00 0.00 C ATOM 756 CG2 VAL A 47 -19.106 12.358 -2.604 1.00 0.00 C ATOM 0 H VAL A 47 -18.067 13.190 0.225 1.00 0.00 H new ATOM 0 HA VAL A 47 -18.886 10.384 -0.594 1.00 0.00 H new ATOM 0 HB VAL A 47 -17.056 12.438 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -17.211 10.869 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.547 10.054 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -18.243 9.788 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.876 12.707 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -19.915 11.628 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -19.414 13.203 -1.989 1.00 0.00 H new ATOM 766 N TYR A 48 -16.864 9.461 0.491 1.00 0.00 N ATOM 767 CA TYR A 48 -15.650 8.927 1.180 1.00 0.00 C ATOM 768 C TYR A 48 -15.029 7.785 0.369 1.00 0.00 C ATOM 769 O TYR A 48 -15.724 6.948 -0.176 1.00 0.00 O ATOM 770 CB TYR A 48 -16.145 8.423 2.536 1.00 0.00 C ATOM 771 CG TYR A 48 -16.491 9.599 3.422 1.00 0.00 C ATOM 772 CD1 TYR A 48 -15.473 10.406 3.946 1.00 0.00 C ATOM 773 CD2 TYR A 48 -17.830 9.880 3.717 1.00 0.00 C ATOM 774 CE1 TYR A 48 -15.797 11.494 4.765 1.00 0.00 C ATOM 775 CE2 TYR A 48 -18.153 10.967 4.536 1.00 0.00 C ATOM 776 CZ TYR A 48 -17.137 11.775 5.061 1.00 0.00 C ATOM 777 OH TYR A 48 -17.457 12.848 5.867 1.00 0.00 O ATOM 0 H TYR A 48 -17.615 8.786 0.348 1.00 0.00 H new ATOM 0 HA TYR A 48 -14.876 9.687 1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -17.020 7.787 2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.377 7.812 3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.440 10.189 3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -18.614 9.257 3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.013 12.117 5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -19.186 11.183 4.764 1.00 0.00 H new ATOM 0 HH TYR A 48 -16.780 13.549 5.762 1.00 0.00 H new ATOM 787 N TYR A 49 -13.724 7.752 0.284 1.00 0.00 N ATOM 788 CA TYR A 49 -13.040 6.674 -0.492 1.00 0.00 C ATOM 789 C TYR A 49 -12.395 5.658 0.458 1.00 0.00 C ATOM 790 O TYR A 49 -11.693 6.021 1.382 1.00 0.00 O ATOM 791 CB TYR A 49 -11.959 7.398 -1.302 1.00 0.00 C ATOM 792 CG TYR A 49 -12.446 7.675 -2.707 1.00 0.00 C ATOM 793 CD1 TYR A 49 -13.721 8.216 -2.922 1.00 0.00 C ATOM 794 CD2 TYR A 49 -11.612 7.398 -3.797 1.00 0.00 C ATOM 795 CE1 TYR A 49 -14.160 8.475 -4.226 1.00 0.00 C ATOM 796 CE2 TYR A 49 -12.050 7.659 -5.099 1.00 0.00 C ATOM 797 CZ TYR A 49 -13.324 8.197 -5.314 1.00 0.00 C ATOM 798 OH TYR A 49 -13.757 8.453 -6.599 1.00 0.00 O ATOM 0 H TYR A 49 -13.099 8.429 0.721 1.00 0.00 H new ATOM 0 HA TYR A 49 -13.734 6.122 -1.126 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.695 8.335 -0.811 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.055 6.790 -1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.364 8.433 -2.082 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.629 6.982 -3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -15.143 8.889 -4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.405 7.445 -5.939 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.186 9.137 -7.006 1.00 0.00 H new ATOM 808 N LYS A 50 -12.616 4.388 0.227 1.00 0.00 N ATOM 809 CA LYS A 50 -12.005 3.342 1.102 1.00 0.00 C ATOM 810 C LYS A 50 -11.208 2.358 0.245 1.00 0.00 C ATOM 811 O LYS A 50 -11.454 2.216 -0.938 1.00 0.00 O ATOM 812 CB LYS A 50 -13.183 2.637 1.777 1.00 0.00 C ATOM 813 CG LYS A 50 -12.693 1.896 3.026 1.00 0.00 C ATOM 814 CD LYS A 50 -12.742 0.383 2.786 1.00 0.00 C ATOM 815 CE LYS A 50 -13.942 -0.218 3.528 1.00 0.00 C ATOM 816 NZ LYS A 50 -13.438 -0.549 4.895 1.00 0.00 N ATOM 0 H LYS A 50 -13.195 4.030 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.319 3.764 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.947 3.365 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.645 1.935 1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.675 2.202 3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.314 2.158 3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.821 0.176 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.818 -0.080 3.133 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.769 0.490 3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.313 -1.108 3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.188 -1.026 5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.613 -1.178 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.162 0.326 5.385 1.00 0.00 H new ATOM 830 N GLY A 51 -10.252 1.682 0.824 1.00 0.00 N ATOM 831 CA GLY A 51 -9.448 0.716 0.026 1.00 0.00 C ATOM 832 C GLY A 51 -8.767 -0.301 0.938 1.00 0.00 C ATOM 833 O GLY A 51 -8.289 0.026 2.005 1.00 0.00 O ATOM 0 H GLY A 51 -9.995 1.757 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.092 0.200 -0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.697 1.252 -0.554 1.00 0.00 H new ATOM 837 N ARG A 52 -8.716 -1.536 0.507 1.00 0.00 N ATOM 838 CA ARG A 52 -8.061 -2.602 1.321 1.00 0.00 C ATOM 839 C ARG A 52 -7.284 -3.552 0.402 1.00 0.00 C ATOM 840 O ARG A 52 -7.678 -3.796 -0.723 1.00 0.00 O ATOM 841 CB ARG A 52 -9.208 -3.339 2.017 1.00 0.00 C ATOM 842 CG ARG A 52 -8.640 -4.437 2.921 1.00 0.00 C ATOM 843 CD ARG A 52 -9.627 -4.731 4.055 1.00 0.00 C ATOM 844 NE ARG A 52 -10.129 -6.107 3.782 1.00 0.00 N ATOM 845 CZ ARG A 52 -10.091 -7.015 4.719 1.00 0.00 C ATOM 846 NH1 ARG A 52 -10.925 -6.948 5.724 1.00 0.00 N ATOM 847 NH2 ARG A 52 -9.217 -7.985 4.652 1.00 0.00 N ATOM 0 H ARG A 52 -9.104 -1.853 -0.382 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.350 -2.198 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.799 -2.638 2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.877 -3.775 1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.457 -5.341 2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.681 -4.123 3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.139 -4.675 5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.443 -4.008 4.066 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.503 -6.340 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.603 -6.188 5.774 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.898 -7.656 6.458 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.566 -8.032 3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.186 -8.695 5.384 1.00 0.00 H new ATOM 861 N MET A 53 -6.185 -4.088 0.870 1.00 0.00 N ATOM 862 CA MET A 53 -5.392 -5.017 0.014 1.00 0.00 C ATOM 863 C MET A 53 -4.873 -6.215 0.822 1.00 0.00 C ATOM 864 O MET A 53 -4.715 -6.151 2.028 1.00 0.00 O ATOM 865 CB MET A 53 -4.230 -4.175 -0.529 1.00 0.00 C ATOM 866 CG MET A 53 -3.299 -3.748 0.610 1.00 0.00 C ATOM 867 SD MET A 53 -1.590 -3.737 0.016 1.00 0.00 S ATOM 868 CE MET A 53 -1.351 -5.531 -0.020 1.00 0.00 C ATOM 0 H MET A 53 -5.806 -3.923 1.802 1.00 0.00 H new ATOM 0 HA MET A 53 -5.998 -5.438 -0.788 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.671 -4.749 -1.268 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.619 -3.293 -1.039 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.577 -2.757 0.970 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.399 -4.433 1.452 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.308 -5.755 -0.244 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.612 -5.952 0.951 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.989 -5.968 -0.789 1.00 0.00 H new ATOM 878 N TRP A 54 -4.604 -7.304 0.145 1.00 0.00 N ATOM 879 CA TRP A 54 -4.084 -8.530 0.827 1.00 0.00 C ATOM 880 C TRP A 54 -3.312 -9.395 -0.177 1.00 0.00 C ATOM 881 O TRP A 54 -3.647 -9.448 -1.345 1.00 0.00 O ATOM 882 CB TRP A 54 -5.317 -9.272 1.373 1.00 0.00 C ATOM 883 CG TRP A 54 -6.310 -9.538 0.280 1.00 0.00 C ATOM 884 CD1 TRP A 54 -6.359 -10.663 -0.473 1.00 0.00 C ATOM 885 CD2 TRP A 54 -7.396 -8.686 -0.190 1.00 0.00 C ATOM 886 NE1 TRP A 54 -7.406 -10.555 -1.372 1.00 0.00 N ATOM 887 CE2 TRP A 54 -8.074 -9.353 -1.236 1.00 0.00 C ATOM 888 CE3 TRP A 54 -7.853 -7.411 0.190 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -9.166 -8.776 -1.884 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -8.951 -6.826 -0.461 1.00 0.00 C ATOM 891 CH2 TRP A 54 -9.606 -7.507 -1.495 1.00 0.00 C ATOM 0 H TRP A 54 -4.724 -7.397 -0.864 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.394 -8.288 1.635 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.008 -10.214 1.826 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.785 -8.679 2.158 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.690 -11.507 -0.386 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.654 -11.274 -2.051 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.356 -6.879 0.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -9.668 -9.305 -2.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.292 -5.846 -0.163 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.450 -7.052 -1.992 1.00 0.00 H new ATOM 902 N CYS A 55 -2.272 -10.064 0.264 1.00 0.00 N ATOM 903 CA CYS A 55 -1.470 -10.908 -0.676 1.00 0.00 C ATOM 904 C CYS A 55 -1.632 -12.400 -0.353 1.00 0.00 C ATOM 905 O CYS A 55 -0.864 -12.952 0.412 1.00 0.00 O ATOM 906 CB CYS A 55 -0.017 -10.475 -0.463 1.00 0.00 C ATOM 907 SG CYS A 55 0.206 -8.774 -1.037 1.00 0.00 S ATOM 0 H CYS A 55 -1.946 -10.061 1.230 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.795 -10.776 -1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.243 -10.549 0.593 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.654 -11.142 -1.004 1.00 0.00 H new ATOM 912 N PRO A 56 -2.624 -13.013 -0.959 1.00 0.00 N ATOM 913 CA PRO A 56 -2.871 -14.458 -0.738 1.00 0.00 C ATOM 914 C PRO A 56 -1.869 -15.296 -1.547 1.00 0.00 C ATOM 915 O PRO A 56 -2.160 -15.755 -2.637 1.00 0.00 O ATOM 916 CB PRO A 56 -4.300 -14.658 -1.240 1.00 0.00 C ATOM 917 CG PRO A 56 -4.530 -13.560 -2.233 1.00 0.00 C ATOM 918 CD PRO A 56 -3.598 -12.423 -1.888 1.00 0.00 C ATOM 0 HA PRO A 56 -2.750 -14.767 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.420 -15.638 -1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.016 -14.602 -0.420 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.341 -13.915 -3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.567 -13.227 -2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.108 -12.028 -2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.136 -11.595 -1.426 1.00 0.00 H new ATOM 926 N GLY A 57 -0.686 -15.489 -1.018 1.00 0.00 N ATOM 927 CA GLY A 57 0.348 -16.284 -1.741 1.00 0.00 C ATOM 928 C GLY A 57 1.746 -15.816 -1.320 1.00 0.00 C ATOM 929 O GLY A 57 2.619 -16.617 -1.047 1.00 0.00 O ATOM 0 H GLY A 57 -0.393 -15.127 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.227 -17.344 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.224 -16.167 -2.818 1.00 0.00 H new ATOM 933 N TRP A 58 1.959 -14.522 -1.262 1.00 0.00 N ATOM 934 CA TRP A 58 3.295 -13.992 -0.854 1.00 0.00 C ATOM 935 C TRP A 58 3.483 -14.146 0.661 1.00 0.00 C ATOM 936 O TRP A 58 4.357 -14.858 1.117 1.00 0.00 O ATOM 937 CB TRP A 58 3.273 -12.509 -1.255 1.00 0.00 C ATOM 938 CG TRP A 58 4.549 -11.829 -0.848 1.00 0.00 C ATOM 939 CD1 TRP A 58 5.689 -12.456 -0.469 1.00 0.00 C ATOM 940 CD2 TRP A 58 4.830 -10.400 -0.779 1.00 0.00 C ATOM 941 NE1 TRP A 58 6.645 -11.503 -0.168 1.00 0.00 N ATOM 942 CE2 TRP A 58 6.164 -10.221 -0.344 1.00 0.00 C ATOM 943 CE3 TRP A 58 4.062 -9.253 -1.048 1.00 0.00 C ATOM 944 CZ2 TRP A 58 6.716 -8.950 -0.182 1.00 0.00 C ATOM 945 CZ3 TRP A 58 4.614 -7.972 -0.886 1.00 0.00 C ATOM 946 CH2 TRP A 58 5.938 -7.822 -0.453 1.00 0.00 C ATOM 0 H TRP A 58 1.262 -13.810 -1.481 1.00 0.00 H new ATOM 0 HA TRP A 58 4.118 -14.526 -1.329 1.00 0.00 H new ATOM 0 HB2 TRP A 58 3.136 -12.421 -2.333 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.425 -12.013 -0.784 1.00 0.00 H new ATOM 0 HD1 TRP A 58 5.828 -13.525 -0.411 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.591 -11.721 0.146 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.040 -9.358 -1.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 7.738 -8.839 0.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 4.015 -7.098 -1.096 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.357 -6.834 -0.329 1.00 0.00 H new ATOM 957 N THR A 59 2.665 -13.484 1.439 1.00 0.00 N ATOM 958 CA THR A 59 2.783 -13.585 2.922 1.00 0.00 C ATOM 959 C THR A 59 1.380 -13.586 3.550 1.00 0.00 C ATOM 960 O THR A 59 0.394 -13.822 2.877 1.00 0.00 O ATOM 961 CB THR A 59 3.599 -12.348 3.349 1.00 0.00 C ATOM 962 OG1 THR A 59 3.760 -12.345 4.762 1.00 0.00 O ATOM 963 CG2 THR A 59 2.885 -11.063 2.913 1.00 0.00 C ATOM 0 H THR A 59 1.917 -12.875 1.107 1.00 0.00 H new ATOM 0 HA THR A 59 3.272 -14.503 3.248 1.00 0.00 H new ATOM 0 HB THR A 59 4.577 -12.390 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.960 -13.253 5.070 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.472 -10.198 3.221 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.774 -11.059 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.901 -11.018 3.379 1.00 0.00 H new ATOM 971 N ALA A 60 1.284 -13.327 4.827 1.00 0.00 N ATOM 972 CA ALA A 60 -0.053 -13.314 5.498 1.00 0.00 C ATOM 973 C ALA A 60 -0.303 -11.954 6.167 1.00 0.00 C ATOM 974 O ALA A 60 -0.760 -11.880 7.293 1.00 0.00 O ATOM 975 CB ALA A 60 0.019 -14.430 6.544 1.00 0.00 C ATOM 0 H ALA A 60 2.075 -13.123 5.438 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.870 -13.469 4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.927 -14.486 7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.211 -15.381 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.824 -14.218 7.247 1.00 0.00 H new ATOM 981 N ILE A 61 -0.011 -10.878 5.477 1.00 0.00 N ATOM 982 CA ILE A 61 -0.229 -9.520 6.064 1.00 0.00 C ATOM 983 C ILE A 61 -1.155 -8.693 5.160 1.00 0.00 C ATOM 984 O ILE A 61 -1.069 -8.752 3.946 1.00 0.00 O ATOM 985 CB ILE A 61 1.169 -8.892 6.145 1.00 0.00 C ATOM 986 CG1 ILE A 61 1.978 -9.588 7.249 1.00 0.00 C ATOM 987 CG2 ILE A 61 1.049 -7.399 6.469 1.00 0.00 C ATOM 988 CD1 ILE A 61 3.441 -9.144 7.179 1.00 0.00 C ATOM 0 H ILE A 61 0.370 -10.883 4.531 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.707 -9.562 7.043 1.00 0.00 H new ATOM 0 HB ILE A 61 1.674 -9.014 5.187 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.561 -9.345 8.226 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.911 -10.670 7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.044 -6.958 6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.475 -6.902 5.687 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.542 -7.274 7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.010 -9.641 7.965 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.856 -9.410 6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.500 -8.064 7.316 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.045 -7.928 5.746 1.00 0.00 N ATOM 1001 CA ARG A 62 -2.985 -7.096 4.934 1.00 0.00 C ATOM 1002 C ARG A 62 -2.886 -5.622 5.341 1.00 0.00 C ATOM 1003 O ARG A 62 -2.256 -5.279 6.324 1.00 0.00 O ATOM 1004 CB ARG A 62 -4.386 -7.636 5.245 1.00 0.00 C ATOM 1005 CG ARG A 62 -4.440 -9.154 5.022 1.00 0.00 C ATOM 1006 CD ARG A 62 -5.025 -9.830 6.266 1.00 0.00 C ATOM 1007 NE ARG A 62 -4.512 -11.231 6.231 1.00 0.00 N ATOM 1008 CZ ARG A 62 -5.341 -12.237 6.354 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -6.127 -12.315 7.396 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -5.381 -13.166 5.434 1.00 0.00 N ATOM 0 H ARG A 62 -2.160 -7.845 6.756 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.753 -7.152 3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.650 -7.405 6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.121 -7.143 4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.051 -9.383 4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.440 -9.539 4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.711 -9.319 7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.115 -9.810 6.249 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.514 -11.405 6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.095 -11.592 8.114 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.772 -13.099 7.490 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.767 -13.106 4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.026 -13.950 5.529 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.515 -4.753 4.592 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.471 -3.299 4.929 1.00 0.00 C ATOM 1026 C GLY A 63 -4.663 -2.582 4.290 1.00 0.00 C ATOM 1027 O GLY A 63 -4.989 -2.811 3.140 1.00 0.00 O ATOM 0 H GLY A 63 -4.058 -4.988 3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.492 -3.166 6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.538 -2.862 4.573 1.00 0.00 H new ATOM 1031 N GLU A 64 -5.306 -1.713 5.030 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.477 -0.965 4.480 1.00 0.00 C ATOM 1033 C GLU A 64 -6.442 0.495 4.943 1.00 0.00 C ATOM 1034 O GLU A 64 -5.784 0.839 5.904 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.713 -1.692 5.032 1.00 0.00 C ATOM 1036 CG GLU A 64 -8.921 -0.746 5.064 1.00 0.00 C ATOM 1037 CD GLU A 64 -10.173 -1.519 5.471 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -10.318 -1.798 6.648 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -10.970 -1.820 4.597 1.00 0.00 O ATOM 0 H GLU A 64 -5.068 -1.489 5.996 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.479 -0.943 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.939 -2.560 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.507 -2.062 6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.740 0.067 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.065 -0.292 4.083 1.00 0.00 H new ATOM 1046 N ALA A 65 -7.160 1.348 4.259 1.00 0.00 N ATOM 1047 CA ALA A 65 -7.192 2.794 4.641 1.00 0.00 C ATOM 1048 C ALA A 65 -8.349 3.505 3.929 1.00 0.00 C ATOM 1049 O ALA A 65 -8.751 3.123 2.844 1.00 0.00 O ATOM 1050 CB ALA A 65 -5.850 3.362 4.178 1.00 0.00 C ATOM 0 H ALA A 65 -7.729 1.105 3.448 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.343 2.932 5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.799 4.423 4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.039 2.834 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.754 3.235 3.100 1.00 0.00 H new ATOM 1056 N SER A 66 -8.886 4.538 4.532 1.00 0.00 N ATOM 1057 CA SER A 66 -10.021 5.277 3.894 1.00 0.00 C ATOM 1058 C SER A 66 -9.887 6.787 4.137 1.00 0.00 C ATOM 1059 O SER A 66 -9.490 7.221 5.203 1.00 0.00 O ATOM 1060 CB SER A 66 -11.297 4.748 4.564 1.00 0.00 C ATOM 1061 OG SER A 66 -11.079 3.433 5.068 1.00 0.00 O ATOM 0 H SER A 66 -8.588 4.901 5.437 1.00 0.00 H new ATOM 0 HA SER A 66 -10.036 5.123 2.815 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.592 5.412 5.376 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.117 4.739 3.846 1.00 0.00 H new ATOM 0 HG SER A 66 -11.899 3.106 5.494 1.00 0.00 H new ATOM 1067 N THR A 67 -10.228 7.589 3.157 1.00 0.00 N ATOM 1068 CA THR A 67 -10.139 9.077 3.318 1.00 0.00 C ATOM 1069 C THR A 67 -10.866 9.782 2.159 1.00 0.00 C ATOM 1070 O THR A 67 -11.298 9.156 1.211 1.00 0.00 O ATOM 1071 CB THR A 67 -8.636 9.404 3.312 1.00 0.00 C ATOM 1072 OG1 THR A 67 -8.453 10.812 3.416 1.00 0.00 O ATOM 1073 CG2 THR A 67 -7.988 8.898 2.018 1.00 0.00 C ATOM 0 H THR A 67 -10.566 7.276 2.247 1.00 0.00 H new ATOM 0 HA THR A 67 -10.613 9.419 4.238 1.00 0.00 H new ATOM 0 HB THR A 67 -8.164 8.910 4.161 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.065 11.154 2.583 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.924 9.136 2.027 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.118 7.818 1.944 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.461 9.380 1.162 1.00 0.00 H new ATOM 1081 N ARG A 68 -11.003 11.085 2.237 1.00 0.00 N ATOM 1082 CA ARG A 68 -11.702 11.841 1.149 1.00 0.00 C ATOM 1083 C ARG A 68 -10.845 11.885 -0.126 1.00 0.00 C ATOM 1084 O ARG A 68 -11.360 12.041 -1.215 1.00 0.00 O ATOM 1085 CB ARG A 68 -11.902 13.255 1.706 1.00 0.00 C ATOM 1086 CG ARG A 68 -13.275 13.781 1.283 1.00 0.00 C ATOM 1087 CD ARG A 68 -13.271 15.313 1.308 1.00 0.00 C ATOM 1088 NE ARG A 68 -14.361 15.716 0.375 1.00 0.00 N ATOM 1089 CZ ARG A 68 -15.238 16.613 0.741 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -16.233 16.273 1.521 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -15.120 17.847 0.328 1.00 0.00 N ATOM 0 H ARG A 68 -10.660 11.658 3.008 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.646 11.370 0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.824 13.243 2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.118 13.917 1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.519 13.425 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.044 13.399 1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.452 15.692 2.314 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.309 15.711 0.986 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.423 15.291 -0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.323 15.309 1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.918 16.972 1.808 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.344 18.109 -0.280 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.804 18.548 0.613 1.00 0.00 H new ATOM 1105 N SER A 69 -9.545 11.758 0.001 1.00 0.00 N ATOM 1106 CA SER A 69 -8.657 11.797 -1.207 1.00 0.00 C ATOM 1107 C SER A 69 -8.887 10.563 -2.091 1.00 0.00 C ATOM 1108 O SER A 69 -9.049 9.458 -1.605 1.00 0.00 O ATOM 1109 CB SER A 69 -7.212 11.811 -0.681 1.00 0.00 C ATOM 1110 OG SER A 69 -7.196 11.639 0.733 1.00 0.00 O ATOM 0 H SER A 69 -9.060 11.629 0.889 1.00 0.00 H new ATOM 0 HA SER A 69 -8.868 12.674 -1.818 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.637 11.016 -1.157 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.732 12.753 -0.944 1.00 0.00 H new ATOM 0 HG SER A 69 -6.270 11.648 1.053 1.00 0.00 H new ATOM 1116 N GLN A 70 -8.896 10.754 -3.390 1.00 0.00 N ATOM 1117 CA GLN A 70 -9.110 9.613 -4.336 1.00 0.00 C ATOM 1118 C GLN A 70 -7.833 8.768 -4.451 1.00 0.00 C ATOM 1119 O GLN A 70 -7.854 7.570 -4.252 1.00 0.00 O ATOM 1120 CB GLN A 70 -9.455 10.270 -5.679 1.00 0.00 C ATOM 1121 CG GLN A 70 -9.631 9.194 -6.760 1.00 0.00 C ATOM 1122 CD GLN A 70 -10.809 9.557 -7.676 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -11.740 10.221 -7.264 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -10.813 9.139 -8.914 1.00 0.00 N ATOM 0 H GLN A 70 -8.763 11.660 -3.838 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.899 8.940 -4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.370 10.854 -5.583 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -8.664 10.962 -5.968 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.717 9.104 -7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.807 8.224 -6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.035 8.581 -9.267 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.594 9.370 -9.528 1.00 0.00 H new ATOM 1133 N SER A 71 -6.723 9.389 -4.765 1.00 0.00 N ATOM 1134 CA SER A 71 -5.442 8.628 -4.884 1.00 0.00 C ATOM 1135 C SER A 71 -4.797 8.468 -3.504 1.00 0.00 C ATOM 1136 O SER A 71 -4.110 7.499 -3.241 1.00 0.00 O ATOM 1137 CB SER A 71 -4.550 9.474 -5.795 1.00 0.00 C ATOM 1138 OG SER A 71 -4.821 9.146 -7.151 1.00 0.00 O ATOM 0 H SER A 71 -6.649 10.390 -4.944 1.00 0.00 H new ATOM 0 HA SER A 71 -5.596 7.627 -5.287 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.734 10.534 -5.621 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.500 9.291 -5.567 1.00 0.00 H new ATOM 0 HG SER A 71 -4.253 9.687 -7.738 1.00 0.00 H new ATOM 1144 N GLY A 72 -5.015 9.417 -2.623 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.421 9.338 -1.254 1.00 0.00 C ATOM 1146 C GLY A 72 -4.887 8.059 -0.548 1.00 0.00 C ATOM 1147 O GLY A 72 -4.118 7.420 0.139 1.00 0.00 O ATOM 0 H GLY A 72 -5.582 10.246 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.333 9.350 -1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.714 10.211 -0.671 1.00 0.00 H new ATOM 1151 N VAL A 73 -6.136 7.679 -0.713 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.633 6.433 -0.041 1.00 0.00 C ATOM 1153 C VAL A 73 -5.851 5.207 -0.535 1.00 0.00 C ATOM 1154 O VAL A 73 -5.553 4.308 0.230 1.00 0.00 O ATOM 1155 CB VAL A 73 -8.127 6.326 -0.402 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.308 5.754 -1.810 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.822 5.404 0.602 1.00 0.00 C ATOM 0 H VAL A 73 -6.826 8.173 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.494 6.473 1.039 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.564 7.324 -0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.371 5.688 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.818 6.406 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.864 4.760 -1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.880 5.325 0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.365 4.415 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.717 5.815 1.606 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.509 5.172 -1.801 1.00 0.00 N ATOM 1168 CA ALA A 74 -4.738 4.009 -2.341 1.00 0.00 C ATOM 1169 C ALA A 74 -3.329 3.992 -1.745 1.00 0.00 C ATOM 1170 O ALA A 74 -2.820 2.952 -1.371 1.00 0.00 O ATOM 1171 CB ALA A 74 -4.683 4.226 -3.857 1.00 0.00 C ATOM 0 H ALA A 74 -5.730 5.898 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.202 3.055 -2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.131 3.409 -4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.696 4.253 -4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.183 5.170 -4.071 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.702 5.138 -1.641 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.332 5.197 -1.054 1.00 0.00 C ATOM 1179 C GLY A 75 -1.404 4.835 0.431 1.00 0.00 C ATOM 1180 O GLY A 75 -0.525 4.181 0.959 1.00 0.00 O ATOM 0 H GLY A 75 -3.083 6.036 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.670 4.507 -1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.914 6.196 -1.177 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.452 5.250 1.107 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.594 4.928 2.559 1.00 0.00 C ATOM 1186 C LYS A 76 -2.788 3.419 2.752 1.00 0.00 C ATOM 1187 O LYS A 76 -2.231 2.835 3.662 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.827 5.705 3.033 1.00 0.00 C ATOM 1189 CG LYS A 76 -3.455 7.176 3.246 1.00 0.00 C ATOM 1190 CD LYS A 76 -4.116 7.696 4.527 1.00 0.00 C ATOM 1191 CE LYS A 76 -3.944 9.218 4.616 1.00 0.00 C ATOM 1192 NZ LYS A 76 -5.297 9.785 4.344 1.00 0.00 N ATOM 0 H LYS A 76 -3.215 5.799 0.711 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.707 5.205 3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.626 5.624 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.205 5.277 3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.372 7.281 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.778 7.770 2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.175 7.439 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.669 7.218 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.584 9.516 5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.215 9.574 3.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.380 10.717 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.431 9.886 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.024 9.147 4.727 1.00 0.00 H new ATOM 1206 N THR A 77 -3.555 2.778 1.898 1.00 0.00 N ATOM 1207 CA THR A 77 -3.754 1.304 2.034 1.00 0.00 C ATOM 1208 C THR A 77 -2.409 0.598 1.834 1.00 0.00 C ATOM 1209 O THR A 77 -2.059 -0.312 2.561 1.00 0.00 O ATOM 1210 CB THR A 77 -4.751 0.927 0.927 1.00 0.00 C ATOM 1211 OG1 THR A 77 -6.005 1.548 1.185 1.00 0.00 O ATOM 1212 CG2 THR A 77 -4.933 -0.593 0.878 1.00 0.00 C ATOM 0 H THR A 77 -4.048 3.213 1.118 1.00 0.00 H new ATOM 0 HA THR A 77 -4.131 1.012 3.014 1.00 0.00 H new ATOM 0 HB THR A 77 -4.363 1.270 -0.032 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.970 2.486 0.903 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.641 -0.849 0.090 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.974 -1.068 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.314 -0.945 1.837 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.643 1.036 0.866 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.307 0.419 0.625 1.00 0.00 C ATOM 1222 C ALA A 78 0.645 0.793 1.769 1.00 0.00 C ATOM 1223 O ALA A 78 1.435 -0.015 2.218 1.00 0.00 O ATOM 1224 CB ALA A 78 0.173 1.018 -0.698 1.00 0.00 C ATOM 0 H ALA A 78 -1.888 1.796 0.232 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.347 -0.669 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.154 0.613 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.534 0.767 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.242 2.102 -0.603 1.00 0.00 H new ATOM 1230 N LYS A 79 0.560 2.013 2.249 1.00 0.00 N ATOM 1231 CA LYS A 79 1.444 2.453 3.374 1.00 0.00 C ATOM 1232 C LYS A 79 1.157 1.621 4.627 1.00 0.00 C ATOM 1233 O LYS A 79 2.058 1.247 5.348 1.00 0.00 O ATOM 1234 CB LYS A 79 1.086 3.923 3.616 1.00 0.00 C ATOM 1235 CG LYS A 79 2.163 4.580 4.486 1.00 0.00 C ATOM 1236 CD LYS A 79 1.529 5.680 5.343 1.00 0.00 C ATOM 1237 CE LYS A 79 1.972 7.053 4.826 1.00 0.00 C ATOM 1238 NZ LYS A 79 1.356 8.040 5.760 1.00 0.00 N ATOM 0 H LYS A 79 -0.087 2.724 1.907 1.00 0.00 H new ATOM 0 HA LYS A 79 2.501 2.325 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.003 4.448 2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.115 3.995 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.635 3.833 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.947 5.001 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.442 5.601 5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.825 5.560 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.058 7.140 4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.635 7.216 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.616 9.004 5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.321 7.939 5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.701 7.866 6.726 1.00 0.00 H new ATOM 1252 N ASP A 80 -0.091 1.325 4.889 1.00 0.00 N ATOM 1253 CA ASP A 80 -0.422 0.508 6.093 1.00 0.00 C ATOM 1254 C ASP A 80 0.088 -0.923 5.903 1.00 0.00 C ATOM 1255 O ASP A 80 0.599 -1.534 6.824 1.00 0.00 O ATOM 1256 CB ASP A 80 -1.952 0.547 6.208 1.00 0.00 C ATOM 1257 CG ASP A 80 -2.399 1.841 6.914 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -1.559 2.695 7.163 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -3.579 1.956 7.193 1.00 0.00 O ATOM 0 H ASP A 80 -0.890 1.612 4.324 1.00 0.00 H new ATOM 0 HA ASP A 80 0.046 0.891 7.000 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.400 0.492 5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.304 -0.321 6.766 1.00 0.00 H new ATOM 1264 N PHE A 81 -0.019 -1.454 4.708 1.00 0.00 N ATOM 1265 CA PHE A 81 0.489 -2.835 4.457 1.00 0.00 C ATOM 1266 C PHE A 81 2.024 -2.828 4.489 1.00 0.00 C ATOM 1267 O PHE A 81 2.645 -3.745 4.997 1.00 0.00 O ATOM 1268 CB PHE A 81 -0.034 -3.214 3.064 1.00 0.00 C ATOM 1269 CG PHE A 81 0.664 -4.466 2.575 1.00 0.00 C ATOM 1270 CD1 PHE A 81 0.403 -5.699 3.184 1.00 0.00 C ATOM 1271 CD2 PHE A 81 1.574 -4.390 1.513 1.00 0.00 C ATOM 1272 CE1 PHE A 81 1.051 -6.854 2.732 1.00 0.00 C ATOM 1273 CE2 PHE A 81 2.221 -5.546 1.061 1.00 0.00 C ATOM 1274 CZ PHE A 81 1.960 -6.779 1.671 1.00 0.00 C ATOM 0 H PHE A 81 -0.435 -0.991 3.900 1.00 0.00 H new ATOM 0 HA PHE A 81 0.155 -3.550 5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.111 -3.379 3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.138 -2.395 2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.299 -5.759 4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.777 -3.439 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.849 -7.805 3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.922 -5.487 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.460 -7.671 1.323 1.00 0.00 H new ATOM 1284 N VAL A 82 2.640 -1.794 3.960 1.00 0.00 N ATOM 1285 CA VAL A 82 4.131 -1.728 3.974 1.00 0.00 C ATOM 1286 C VAL A 82 4.628 -1.535 5.413 1.00 0.00 C ATOM 1287 O VAL A 82 5.659 -2.058 5.789 1.00 0.00 O ATOM 1288 CB VAL A 82 4.504 -0.541 3.063 1.00 0.00 C ATOM 1289 CG1 VAL A 82 4.724 0.737 3.878 1.00 0.00 C ATOM 1290 CG2 VAL A 82 5.790 -0.877 2.310 1.00 0.00 C ATOM 0 H VAL A 82 2.174 -0.999 3.522 1.00 0.00 H new ATOM 0 HA VAL A 82 4.597 -2.644 3.611 1.00 0.00 H new ATOM 0 HB VAL A 82 3.683 -0.369 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.986 1.556 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.810 0.987 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.533 0.579 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.061 -0.043 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.593 -1.058 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.634 -1.770 1.705 1.00 0.00 H new ATOM 1300 N ARG A 83 3.893 -0.810 6.228 1.00 0.00 N ATOM 1301 CA ARG A 83 4.320 -0.615 7.648 1.00 0.00 C ATOM 1302 C ARG A 83 4.263 -1.958 8.380 1.00 0.00 C ATOM 1303 O ARG A 83 5.156 -2.302 9.131 1.00 0.00 O ATOM 1304 CB ARG A 83 3.317 0.373 8.252 1.00 0.00 C ATOM 1305 CG ARG A 83 3.870 0.929 9.570 1.00 0.00 C ATOM 1306 CD ARG A 83 3.248 0.174 10.751 1.00 0.00 C ATOM 1307 NE ARG A 83 4.334 0.072 11.772 1.00 0.00 N ATOM 1308 CZ ARG A 83 4.213 -0.758 12.778 1.00 0.00 C ATOM 1309 NH1 ARG A 83 4.159 -2.046 12.562 1.00 0.00 N ATOM 1310 NH2 ARG A 83 4.149 -0.296 13.999 1.00 0.00 N ATOM 0 H ARG A 83 3.021 -0.348 5.970 1.00 0.00 H new ATOM 0 HA ARG A 83 5.339 -0.237 7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.128 1.188 7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.363 -0.124 8.427 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.955 0.827 9.592 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.648 1.993 9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.384 0.708 11.148 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.900 -0.813 10.447 1.00 0.00 H new ATOM 0 HE ARG A 83 5.170 0.649 11.686 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.211 -2.406 11.609 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.065 -2.691 13.346 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.193 0.709 14.167 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.055 -0.941 14.784 1.00 0.00 H new ATOM 1324 N LYS A 84 3.227 -2.728 8.147 1.00 0.00 N ATOM 1325 CA LYS A 84 3.124 -4.062 8.811 1.00 0.00 C ATOM 1326 C LYS A 84 4.224 -4.980 8.270 1.00 0.00 C ATOM 1327 O LYS A 84 4.833 -5.733 9.007 1.00 0.00 O ATOM 1328 CB LYS A 84 1.736 -4.602 8.448 1.00 0.00 C ATOM 1329 CG LYS A 84 0.877 -4.695 9.713 1.00 0.00 C ATOM 1330 CD LYS A 84 0.127 -6.032 9.731 1.00 0.00 C ATOM 1331 CE LYS A 84 1.058 -7.139 10.241 1.00 0.00 C ATOM 1332 NZ LYS A 84 0.634 -7.390 11.651 1.00 0.00 N ATOM 0 H LYS A 84 2.452 -2.490 7.528 1.00 0.00 H new ATOM 0 HA LYS A 84 3.248 -4.001 9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.259 -3.947 7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.826 -5.584 7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.506 -4.608 10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.167 -3.868 9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.752 -5.959 10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.228 -6.275 8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.966 -8.041 9.636 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.102 -6.829 10.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.228 -8.137 12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.739 -6.517 12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.361 -7.691 11.666 1.00 0.00 H new ATOM 1346 N ALA A 85 4.495 -4.901 6.985 1.00 0.00 N ATOM 1347 CA ALA A 85 5.572 -5.745 6.385 1.00 0.00 C ATOM 1348 C ALA A 85 6.939 -5.291 6.914 1.00 0.00 C ATOM 1349 O ALA A 85 7.825 -6.096 7.133 1.00 0.00 O ATOM 1350 CB ALA A 85 5.477 -5.513 4.875 1.00 0.00 C ATOM 0 H ALA A 85 4.014 -4.286 6.329 1.00 0.00 H new ATOM 0 HA ALA A 85 5.460 -6.800 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.240 -6.103 4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.491 -5.815 4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.632 -4.456 4.659 1.00 0.00 H new ATOM 1356 N PHE A 86 7.102 -4.006 7.141 1.00 0.00 N ATOM 1357 CA PHE A 86 8.398 -3.492 7.680 1.00 0.00 C ATOM 1358 C PHE A 86 8.609 -4.036 9.098 1.00 0.00 C ATOM 1359 O PHE A 86 9.706 -4.402 9.475 1.00 0.00 O ATOM 1360 CB PHE A 86 8.254 -1.963 7.712 1.00 0.00 C ATOM 1361 CG PHE A 86 9.185 -1.334 6.702 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.555 -1.249 6.972 1.00 0.00 C ATOM 1363 CD2 PHE A 86 8.677 -0.829 5.499 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.418 -0.659 6.041 1.00 0.00 C ATOM 1365 CE2 PHE A 86 9.540 -0.239 4.567 1.00 0.00 C ATOM 1366 CZ PHE A 86 10.910 -0.153 4.839 1.00 0.00 C ATOM 0 H PHE A 86 6.391 -3.294 6.975 1.00 0.00 H new ATOM 0 HA PHE A 86 9.250 -3.799 7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.224 -1.682 7.493 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.481 -1.589 8.710 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.947 -1.639 7.900 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.619 -0.894 5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.476 -0.594 6.250 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.148 0.150 3.639 1.00 0.00 H new ATOM 0 HZ PHE A 86 11.575 0.304 4.121 1.00 0.00 H new ATOM 1376 N GLN A 87 7.556 -4.096 9.881 1.00 0.00 N ATOM 1377 CA GLN A 87 7.672 -4.622 11.277 1.00 0.00 C ATOM 1378 C GLN A 87 8.059 -6.107 11.260 1.00 0.00 C ATOM 1379 O GLN A 87 8.856 -6.554 12.061 1.00 0.00 O ATOM 1380 CB GLN A 87 6.277 -4.442 11.879 1.00 0.00 C ATOM 1381 CG GLN A 87 6.308 -4.777 13.374 1.00 0.00 C ATOM 1382 CD GLN A 87 5.125 -5.689 13.722 1.00 0.00 C ATOM 1383 OE1 GLN A 87 4.869 -6.661 13.038 1.00 0.00 O ATOM 1384 NE2 GLN A 87 4.388 -5.417 14.764 1.00 0.00 N ATOM 0 H GLN A 87 6.618 -3.801 9.610 1.00 0.00 H new ATOM 0 HA GLN A 87 8.440 -4.103 11.851 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.938 -3.416 11.734 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.564 -5.088 11.367 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.247 -5.270 13.627 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.260 -3.861 13.963 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.600 -4.602 15.340 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.600 -6.019 15.002 1.00 0.00 H new ATOM 1393 N LYS A 88 7.498 -6.871 10.356 1.00 0.00 N ATOM 1394 CA LYS A 88 7.833 -8.328 10.291 1.00 0.00 C ATOM 1395 C LYS A 88 9.219 -8.528 9.664 1.00 0.00 C ATOM 1396 O LYS A 88 10.082 -9.164 10.239 1.00 0.00 O ATOM 1397 CB LYS A 88 6.744 -8.963 9.418 1.00 0.00 C ATOM 1398 CG LYS A 88 6.056 -10.092 10.194 1.00 0.00 C ATOM 1399 CD LYS A 88 7.002 -11.291 10.308 1.00 0.00 C ATOM 1400 CE LYS A 88 6.387 -12.342 11.239 1.00 0.00 C ATOM 1401 NZ LYS A 88 7.540 -13.149 11.731 1.00 0.00 N ATOM 0 H LYS A 88 6.824 -6.550 9.661 1.00 0.00 H new ATOM 0 HA LYS A 88 7.866 -8.783 11.281 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.012 -8.210 9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.182 -9.354 8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.773 -9.744 11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.138 -10.388 9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.180 -11.722 9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.969 -10.969 10.694 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.854 -11.872 12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.667 -12.966 10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.196 -13.890 12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.025 -13.590 10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.205 -12.531 12.238 1.00 0.00 H new ATOM 1415 N GLY A 89 9.438 -7.985 8.492 1.00 0.00 N ATOM 1416 CA GLY A 89 10.761 -8.136 7.828 1.00 0.00 C ATOM 1417 C GLY A 89 10.568 -8.538 6.364 1.00 0.00 C ATOM 1418 O GLY A 89 11.121 -9.519 5.907 1.00 0.00 O ATOM 0 H GLY A 89 8.752 -7.442 7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.316 -7.200 7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.353 -8.890 8.346 1.00 0.00 H new ATOM 1422 N LEU A 90 9.794 -7.784 5.621 1.00 0.00 N ATOM 1423 CA LEU A 90 9.573 -8.122 4.182 1.00 0.00 C ATOM 1424 C LEU A 90 10.075 -6.982 3.288 1.00 0.00 C ATOM 1425 O LEU A 90 10.801 -7.206 2.337 1.00 0.00 O ATOM 1426 CB LEU A 90 8.057 -8.302 4.029 1.00 0.00 C ATOM 1427 CG LEU A 90 7.694 -9.790 4.123 1.00 0.00 C ATOM 1428 CD1 LEU A 90 6.202 -9.972 3.832 1.00 0.00 C ATOM 1429 CD2 LEU A 90 8.507 -10.589 3.097 1.00 0.00 C ATOM 0 H LEU A 90 9.307 -6.950 5.950 1.00 0.00 H new ATOM 0 HA LEU A 90 10.114 -9.021 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.536 -7.742 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.729 -7.899 3.071 1.00 0.00 H new ATOM 0 HG LEU A 90 7.921 -10.150 5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.945 -11.029 3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.618 -9.410 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.980 -9.607 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.245 -11.645 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.283 -10.226 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.571 -10.464 3.299 1.00 0.00 H new ATOM 1441 N ILE A 91 9.698 -5.763 3.586 1.00 0.00 N ATOM 1442 CA ILE A 91 10.156 -4.610 2.755 1.00 0.00 C ATOM 1443 C ILE A 91 11.490 -4.076 3.300 1.00 0.00 C ATOM 1444 O ILE A 91 11.542 -3.051 3.949 1.00 0.00 O ATOM 1445 CB ILE A 91 9.041 -3.554 2.869 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.695 -4.159 2.433 1.00 0.00 C ATOM 1447 CG2 ILE A 91 9.370 -2.354 1.975 1.00 0.00 C ATOM 1448 CD1 ILE A 91 7.725 -4.499 0.938 1.00 0.00 C ATOM 0 H ILE A 91 9.093 -5.518 4.369 1.00 0.00 H new ATOM 0 HA ILE A 91 10.328 -4.886 1.715 1.00 0.00 H new ATOM 0 HB ILE A 91 8.970 -3.228 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.487 -5.058 3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.889 -3.455 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.578 -1.610 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.316 -1.914 2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.450 -2.683 0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.767 -4.926 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 91 7.911 -3.592 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.519 -5.221 0.745 1.00 0.00 H new ATOM 1460 N SER A 92 12.567 -4.777 3.042 1.00 0.00 N ATOM 1461 CA SER A 92 13.904 -4.322 3.544 1.00 0.00 C ATOM 1462 C SER A 92 14.399 -3.118 2.726 1.00 0.00 C ATOM 1463 O SER A 92 13.767 -2.702 1.774 1.00 0.00 O ATOM 1464 CB SER A 92 14.826 -5.531 3.367 1.00 0.00 C ATOM 1465 OG SER A 92 16.176 -5.144 3.588 1.00 0.00 O ATOM 0 H SER A 92 12.579 -5.645 2.506 1.00 0.00 H new ATOM 0 HA SER A 92 13.870 -3.994 4.583 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.545 -6.319 4.065 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.715 -5.940 2.363 1.00 0.00 H new ATOM 0 HG SER A 92 16.762 -5.921 3.475 1.00 0.00 H new ATOM 1471 N GLN A 93 15.521 -2.552 3.098 1.00 0.00 N ATOM 1472 CA GLN A 93 16.052 -1.363 2.353 1.00 0.00 C ATOM 1473 C GLN A 93 16.482 -1.756 0.933 1.00 0.00 C ATOM 1474 O GLN A 93 15.981 -1.226 -0.041 1.00 0.00 O ATOM 1475 CB GLN A 93 17.260 -0.875 3.166 1.00 0.00 C ATOM 1476 CG GLN A 93 16.802 -0.381 4.543 1.00 0.00 C ATOM 1477 CD GLN A 93 15.944 0.878 4.386 1.00 0.00 C ATOM 1478 OE1 GLN A 93 16.394 1.871 3.848 1.00 0.00 O ATOM 1479 NE2 GLN A 93 14.718 0.883 4.837 1.00 0.00 N ATOM 0 H GLN A 93 16.093 -2.860 3.884 1.00 0.00 H new ATOM 0 HA GLN A 93 15.295 -0.586 2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 93 17.981 -1.684 3.282 1.00 0.00 H new ATOM 0 HB3 GLN A 93 17.767 -0.071 2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 93 16.231 -1.160 5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 93 17.668 -0.166 5.168 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.337 0.052 5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.141 1.718 4.737 1.00 0.00 H new ATOM 1488 N GLN A 94 17.400 -2.679 0.810 1.00 0.00 N ATOM 1489 CA GLN A 94 17.863 -3.108 -0.550 1.00 0.00 C ATOM 1490 C GLN A 94 16.719 -3.793 -1.303 1.00 0.00 C ATOM 1491 O GLN A 94 16.539 -3.589 -2.490 1.00 0.00 O ATOM 1492 CB GLN A 94 19.014 -4.091 -0.300 1.00 0.00 C ATOM 1493 CG GLN A 94 20.076 -3.430 0.587 1.00 0.00 C ATOM 1494 CD GLN A 94 21.470 -3.897 0.162 1.00 0.00 C ATOM 1495 OE1 GLN A 94 21.995 -4.847 0.706 1.00 0.00 O ATOM 1496 NE2 GLN A 94 22.097 -3.264 -0.791 1.00 0.00 N ATOM 0 H GLN A 94 17.851 -3.156 1.591 1.00 0.00 H new ATOM 0 HA GLN A 94 18.185 -2.263 -1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.636 -4.994 0.180 1.00 0.00 H new ATOM 0 HB3 GLN A 94 19.457 -4.396 -1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 94 20.006 -2.345 0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 94 19.900 -3.685 1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 94 21.657 -2.466 -1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 94 23.027 -3.567 -1.078 1.00 0.00 H new ATOM 1505 N GLU A 95 15.940 -4.594 -0.617 1.00 0.00 N ATOM 1506 CA GLU A 95 14.798 -5.285 -1.282 1.00 0.00 C ATOM 1507 C GLU A 95 13.781 -4.249 -1.769 1.00 0.00 C ATOM 1508 O GLU A 95 13.244 -4.370 -2.849 1.00 0.00 O ATOM 1509 CB GLU A 95 14.191 -6.188 -0.205 1.00 0.00 C ATOM 1510 CG GLU A 95 14.957 -7.517 -0.159 1.00 0.00 C ATOM 1511 CD GLU A 95 15.977 -7.494 0.984 1.00 0.00 C ATOM 1512 OE1 GLU A 95 16.969 -6.793 0.858 1.00 0.00 O ATOM 1513 OE2 GLU A 95 15.750 -8.178 1.967 1.00 0.00 O ATOM 0 H GLU A 95 16.048 -4.798 0.377 1.00 0.00 H new ATOM 0 HA GLU A 95 15.107 -5.862 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.238 -5.695 0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.138 -6.370 -0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.260 -8.343 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.466 -7.686 -1.108 1.00 0.00 H new ATOM 1520 N ALA A 96 13.536 -3.218 -0.992 1.00 0.00 N ATOM 1521 CA ALA A 96 12.575 -2.157 -1.424 1.00 0.00 C ATOM 1522 C ALA A 96 13.108 -1.474 -2.683 1.00 0.00 C ATOM 1523 O ALA A 96 12.355 -1.113 -3.565 1.00 0.00 O ATOM 1524 CB ALA A 96 12.504 -1.163 -0.263 1.00 0.00 C ATOM 0 H ALA A 96 13.962 -3.068 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 96 11.590 -2.560 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.814 -0.357 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 96 12.152 -1.675 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.495 -0.748 -0.078 1.00 0.00 H new ATOM 1530 N ASN A 97 14.409 -1.317 -2.783 1.00 0.00 N ATOM 1531 CA ASN A 97 14.991 -0.687 -4.000 1.00 0.00 C ATOM 1532 C ASN A 97 14.682 -1.574 -5.205 1.00 0.00 C ATOM 1533 O ASN A 97 14.228 -1.106 -6.229 1.00 0.00 O ATOM 1534 CB ASN A 97 16.500 -0.609 -3.746 1.00 0.00 C ATOM 1535 CG ASN A 97 17.054 0.678 -4.359 1.00 0.00 C ATOM 1536 OD1 ASN A 97 17.900 0.632 -5.231 1.00 0.00 O ATOM 1537 ND2 ASN A 97 16.613 1.833 -3.941 1.00 0.00 N ATOM 0 H ASN A 97 15.086 -1.599 -2.074 1.00 0.00 H new ATOM 0 HA ASN A 97 14.584 0.304 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.701 -0.630 -2.675 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.998 -1.475 -4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.978 2.695 -4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.903 1.874 -3.210 1.00 0.00 H new ATOM 1544 N GLN A 98 14.888 -2.863 -5.069 1.00 0.00 N ATOM 1545 CA GLN A 98 14.564 -3.794 -6.192 1.00 0.00 C ATOM 1546 C GLN A 98 13.040 -3.880 -6.341 1.00 0.00 C ATOM 1547 O GLN A 98 12.513 -3.959 -7.435 1.00 0.00 O ATOM 1548 CB GLN A 98 15.152 -5.151 -5.784 1.00 0.00 C ATOM 1549 CG GLN A 98 16.421 -5.425 -6.596 1.00 0.00 C ATOM 1550 CD GLN A 98 17.650 -4.981 -5.797 1.00 0.00 C ATOM 1551 OE1 GLN A 98 18.404 -5.803 -5.316 1.00 0.00 O ATOM 1552 NE2 GLN A 98 17.886 -3.707 -5.632 1.00 0.00 N ATOM 0 H GLN A 98 15.265 -3.307 -4.232 1.00 0.00 H new ATOM 0 HA GLN A 98 14.973 -3.464 -7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.382 -5.154 -4.719 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.421 -5.942 -5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 98 16.492 -6.487 -6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.380 -4.891 -7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.254 -3.015 -6.035 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.702 -3.404 -5.100 1.00 0.00 H new ATOM 1561 N TRP A 99 12.337 -3.837 -5.233 1.00 0.00 N ATOM 1562 CA TRP A 99 10.844 -3.885 -5.262 1.00 0.00 C ATOM 1563 C TRP A 99 10.307 -2.658 -6.007 1.00 0.00 C ATOM 1564 O TRP A 99 9.390 -2.754 -6.800 1.00 0.00 O ATOM 1565 CB TRP A 99 10.428 -3.838 -3.787 1.00 0.00 C ATOM 1566 CG TRP A 99 8.994 -4.227 -3.645 1.00 0.00 C ATOM 1567 CD1 TRP A 99 8.550 -5.477 -3.395 1.00 0.00 C ATOM 1568 CD2 TRP A 99 7.814 -3.383 -3.741 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.171 -5.454 -3.323 1.00 0.00 N ATOM 1570 CE2 TRP A 99 6.671 -4.187 -3.533 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.623 -2.012 -3.986 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 5.390 -3.650 -3.564 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.331 -1.473 -4.019 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.217 -2.289 -3.808 1.00 0.00 C ATOM 0 H TRP A 99 12.742 -3.770 -4.299 1.00 0.00 H new ATOM 0 HA TRP A 99 10.457 -4.769 -5.769 1.00 0.00 H new ATOM 0 HB2 TRP A 99 11.055 -4.512 -3.203 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.582 -2.835 -3.390 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.171 -6.352 -3.272 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.594 -6.274 -3.137 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.477 -1.371 -4.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.532 -4.285 -3.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.195 -0.419 -4.209 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.224 -1.866 -3.834 1.00 0.00 H new ATOM 1585 N LEU A 100 10.886 -1.505 -5.762 1.00 0.00 N ATOM 1586 CA LEU A 100 10.424 -0.267 -6.462 1.00 0.00 C ATOM 1587 C LEU A 100 10.887 -0.295 -7.922 1.00 0.00 C ATOM 1588 O LEU A 100 10.210 0.204 -8.800 1.00 0.00 O ATOM 1589 CB LEU A 100 11.068 0.907 -5.714 1.00 0.00 C ATOM 1590 CG LEU A 100 10.308 1.165 -4.409 1.00 0.00 C ATOM 1591 CD1 LEU A 100 11.181 1.994 -3.463 1.00 0.00 C ATOM 1592 CD2 LEU A 100 9.014 1.928 -4.712 1.00 0.00 C ATOM 0 H LEU A 100 11.657 -1.370 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 100 9.337 -0.182 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.113 0.685 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.053 1.801 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 100 10.065 0.213 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.640 2.177 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 100 12.100 1.450 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.426 2.946 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.474 2.111 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.255 2.880 -5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.391 1.336 -5.383 1.00 0.00 H new ATOM 1604 N SER A 101 12.028 -0.885 -8.190 1.00 0.00 N ATOM 1605 CA SER A 101 12.526 -0.960 -9.598 1.00 0.00 C ATOM 1606 C SER A 101 11.547 -1.783 -10.449 1.00 0.00 C ATOM 1607 O SER A 101 11.150 -1.373 -11.523 1.00 0.00 O ATOM 1608 CB SER A 101 13.886 -1.659 -9.514 1.00 0.00 C ATOM 1609 OG SER A 101 14.784 -0.857 -8.756 1.00 0.00 O ATOM 0 H SER A 101 12.635 -1.317 -7.494 1.00 0.00 H new ATOM 0 HA SER A 101 12.612 0.024 -10.060 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.775 -2.639 -9.049 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.285 -1.824 -10.515 1.00 0.00 H new ATOM 0 HG SER A 101 14.766 -1.143 -7.819 1.00 0.00 H new ATOM 1615 N SER A 102 11.150 -2.936 -9.964 1.00 0.00 N ATOM 1616 CA SER A 102 10.188 -3.794 -10.721 1.00 0.00 C ATOM 1617 C SER A 102 9.597 -4.869 -9.797 1.00 0.00 C ATOM 1618 O SER A 102 8.394 -5.064 -9.844 1.00 0.00 O ATOM 1619 CB SER A 102 11.011 -4.436 -11.840 1.00 0.00 C ATOM 1620 OG SER A 102 10.148 -4.789 -12.914 1.00 0.00 O ATOM 1621 OXT SER A 102 10.358 -5.476 -9.059 1.00 0.00 O ATOM 0 H SER A 102 11.454 -3.320 -9.070 1.00 0.00 H new ATOM 0 HA SER A 102 9.350 -3.220 -11.117 1.00 0.00 H new ATOM 0 HB2 SER A 102 11.778 -3.743 -12.187 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.526 -5.321 -11.466 1.00 0.00 H new ATOM 0 HG SER A 102 10.672 -5.199 -13.634 1.00 0.00 H new TER 1627 SER A 102