USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 565 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 NoAdj-H: A 37 HIS HE2 : A 37 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 41 HIS HE2 : A 41 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 58 GLN : amide:sc= -0.338 X(o=-7.3,f=-7.8) USER MOD Set 1.2: A 60 SER OG : rot 180:sc= -0.2 USER MOD Set 1.3: A 61 HIS : no HD1:sc= -6.8! X(o=-7.3!,f=-7.1) USER MOD Set 2.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 48 LYS NZ :NH3+ 152:sc= -1.33 (180deg=-2.21!) USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0729 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 4:sc= 0.639 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN :FLIP amide:sc= -6.22! C(o=-7.6!,f=-6.2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.471 K(o=-0.47,f=-1.4) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0386 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= -0.391 (180deg=-1.22) USER MOD Single : A 42 THR OG1 : rot -75:sc= 0.589 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS :FLIP no HE2:sc= -2.37! C(o=-3.4!,f=-2.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.620 -16.293 2.188 1.00 0.00 N ATOM 2 CA GLY A 1 -17.384 -15.820 3.328 1.00 0.00 C ATOM 3 C GLY A 1 -17.029 -14.397 3.712 1.00 0.00 C ATOM 4 O GLY A 1 -15.975 -13.889 3.332 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.227 -16.305 1.344 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.812 -15.659 2.025 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.273 -17.255 2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.448 -15.876 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.207 -16.478 4.179 1.00 0.00 H new ATOM 8 N SER A 2 -17.913 -13.752 4.467 1.00 0.00 N ATOM 9 CA SER A 2 -17.690 -12.377 4.899 1.00 0.00 C ATOM 10 C SER A 2 -17.542 -12.302 6.416 1.00 0.00 C ATOM 11 O SER A 2 -18.459 -12.653 7.158 1.00 0.00 O ATOM 12 CB SER A 2 -18.845 -11.484 4.443 1.00 0.00 C ATOM 13 OG SER A 2 -18.991 -11.520 3.034 1.00 0.00 O ATOM 0 H SER A 2 -18.790 -14.159 4.792 1.00 0.00 H new ATOM 0 HA SER A 2 -16.765 -12.024 4.443 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.771 -11.811 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.666 -10.459 4.767 1.00 0.00 H new ATOM 0 HG SER A 2 -19.737 -10.943 2.768 1.00 0.00 H new ATOM 19 N SER A 3 -16.381 -11.840 6.868 1.00 0.00 N ATOM 20 CA SER A 3 -16.109 -11.721 8.296 1.00 0.00 C ATOM 21 C SER A 3 -15.325 -10.447 8.596 1.00 0.00 C ATOM 22 O SER A 3 -14.235 -10.236 8.065 1.00 0.00 O ATOM 23 CB SER A 3 -15.331 -12.941 8.792 1.00 0.00 C ATOM 24 OG SER A 3 -13.969 -12.868 8.409 1.00 0.00 O ATOM 0 H SER A 3 -15.613 -11.542 6.266 1.00 0.00 H new ATOM 0 HA SER A 3 -17.064 -11.671 8.819 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.404 -13.006 9.878 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.777 -13.850 8.388 1.00 0.00 H new ATOM 0 HG SER A 3 -13.801 -12.014 7.959 1.00 0.00 H new ATOM 30 N GLY A 4 -15.889 -9.600 9.451 1.00 0.00 N ATOM 31 CA GLY A 4 -15.230 -8.357 9.807 1.00 0.00 C ATOM 32 C GLY A 4 -14.549 -8.428 11.160 1.00 0.00 C ATOM 33 O GLY A 4 -14.723 -9.397 11.899 1.00 0.00 O ATOM 0 H GLY A 4 -16.790 -9.752 9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.491 -8.110 9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.963 -7.550 9.814 1.00 0.00 H new ATOM 37 N SER A 5 -13.772 -7.400 11.485 1.00 0.00 N ATOM 38 CA SER A 5 -13.058 -7.353 12.756 1.00 0.00 C ATOM 39 C SER A 5 -13.412 -6.087 13.531 1.00 0.00 C ATOM 40 O SER A 5 -14.155 -5.235 13.043 1.00 0.00 O ATOM 41 CB SER A 5 -11.548 -7.415 12.520 1.00 0.00 C ATOM 42 OG SER A 5 -11.152 -8.704 12.086 1.00 0.00 O ATOM 0 H SER A 5 -13.621 -6.588 10.886 1.00 0.00 H new ATOM 0 HA SER A 5 -13.361 -8.217 13.347 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.263 -6.673 11.774 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.022 -7.160 13.440 1.00 0.00 H new ATOM 0 HG SER A 5 -10.183 -8.717 11.941 1.00 0.00 H new ATOM 48 N SER A 6 -12.875 -5.973 14.741 1.00 0.00 N ATOM 49 CA SER A 6 -13.137 -4.814 15.586 1.00 0.00 C ATOM 50 C SER A 6 -12.233 -3.646 15.202 1.00 0.00 C ATOM 51 O SER A 6 -12.541 -2.489 15.484 1.00 0.00 O ATOM 52 CB SER A 6 -12.927 -5.172 17.059 1.00 0.00 C ATOM 53 OG SER A 6 -11.605 -5.629 17.289 1.00 0.00 O ATOM 0 H SER A 6 -12.256 -6.668 15.158 1.00 0.00 H new ATOM 0 HA SER A 6 -14.174 -4.514 15.436 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.127 -4.299 17.681 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.638 -5.943 17.354 1.00 0.00 H new ATOM 0 HG SER A 6 -11.496 -5.850 18.238 1.00 0.00 H new ATOM 59 N GLY A 7 -11.114 -3.959 14.556 1.00 0.00 N ATOM 60 CA GLY A 7 -10.182 -2.927 14.143 1.00 0.00 C ATOM 61 C GLY A 7 -9.422 -2.330 15.311 1.00 0.00 C ATOM 62 O GLY A 7 -8.231 -2.589 15.483 1.00 0.00 O ATOM 0 H GLY A 7 -10.836 -4.910 14.311 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.473 -3.347 13.429 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.726 -2.137 13.626 1.00 0.00 H new ATOM 66 N ARG A 8 -10.112 -1.528 16.115 1.00 0.00 N ATOM 67 CA ARG A 8 -9.494 -0.890 17.271 1.00 0.00 C ATOM 68 C ARG A 8 -8.361 0.036 16.840 1.00 0.00 C ATOM 69 O ARG A 8 -7.298 0.063 17.461 1.00 0.00 O ATOM 70 CB ARG A 8 -8.963 -1.948 18.240 1.00 0.00 C ATOM 71 CG ARG A 8 -8.861 -1.461 19.677 1.00 0.00 C ATOM 72 CD ARG A 8 -7.750 -2.176 20.429 1.00 0.00 C ATOM 73 NE ARG A 8 -8.088 -3.568 20.713 1.00 0.00 N ATOM 74 CZ ARG A 8 -8.865 -3.944 21.722 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.383 -3.037 22.539 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.127 -5.231 21.915 1.00 0.00 N ATOM 0 H ARG A 8 -11.099 -1.305 15.987 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.254 -0.294 17.776 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.616 -2.820 18.206 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.978 -2.274 17.905 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.675 -0.387 19.686 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.811 -1.625 20.186 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.833 -2.139 19.842 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.551 -1.653 21.365 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.706 -4.291 20.103 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.185 -2.047 22.393 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.979 -3.329 23.313 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.731 -5.932 21.288 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.724 -5.519 22.690 1.00 0.00 H new ATOM 90 N SER A 9 -8.595 0.793 15.773 1.00 0.00 N ATOM 91 CA SER A 9 -7.592 1.717 15.256 1.00 0.00 C ATOM 92 C SER A 9 -8.028 3.164 15.465 1.00 0.00 C ATOM 93 O SER A 9 -9.211 3.446 15.650 1.00 0.00 O ATOM 94 CB SER A 9 -7.345 1.456 13.769 1.00 0.00 C ATOM 95 OG SER A 9 -6.527 0.314 13.580 1.00 0.00 O ATOM 0 H SER A 9 -9.470 0.785 15.250 1.00 0.00 H new ATOM 0 HA SER A 9 -6.665 1.552 15.805 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.297 1.313 13.259 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.869 2.327 13.318 1.00 0.00 H new ATOM 0 HG SER A 9 -6.386 0.168 12.621 1.00 0.00 H new ATOM 101 N GLU A 10 -7.062 4.077 15.433 1.00 0.00 N ATOM 102 CA GLU A 10 -7.345 5.495 15.620 1.00 0.00 C ATOM 103 C GLU A 10 -7.011 6.287 14.359 1.00 0.00 C ATOM 104 O GLU A 10 -6.007 6.025 13.697 1.00 0.00 O ATOM 105 CB GLU A 10 -6.551 6.045 16.807 1.00 0.00 C ATOM 106 CG GLU A 10 -7.144 5.680 18.157 1.00 0.00 C ATOM 107 CD GLU A 10 -6.609 4.366 18.693 1.00 0.00 C ATOM 108 OE1 GLU A 10 -6.231 3.502 17.875 1.00 0.00 O ATOM 109 OE2 GLU A 10 -6.570 4.202 19.930 1.00 0.00 O ATOM 0 H GLU A 10 -6.077 3.860 15.279 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.410 5.603 15.825 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.529 5.670 16.755 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.496 7.131 16.725 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.928 6.474 18.871 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.229 5.617 18.068 1.00 0.00 H new ATOM 116 N TRP A 11 -7.859 7.256 14.034 1.00 0.00 N ATOM 117 CA TRP A 11 -7.655 8.086 12.853 1.00 0.00 C ATOM 118 C TRP A 11 -8.114 9.517 13.107 1.00 0.00 C ATOM 119 O TRP A 11 -8.600 9.838 14.191 1.00 0.00 O ATOM 120 CB TRP A 11 -8.407 7.501 11.656 1.00 0.00 C ATOM 121 CG TRP A 11 -7.628 6.454 10.919 1.00 0.00 C ATOM 122 CD1 TRP A 11 -7.937 5.128 10.808 1.00 0.00 C ATOM 123 CD2 TRP A 11 -6.409 6.646 10.192 1.00 0.00 C ATOM 124 NE1 TRP A 11 -6.984 4.484 10.056 1.00 0.00 N ATOM 125 CE2 TRP A 11 -6.037 5.393 9.666 1.00 0.00 C ATOM 126 CE3 TRP A 11 -5.597 7.753 9.934 1.00 0.00 C ATOM 127 CZ2 TRP A 11 -4.888 5.221 8.898 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -4.458 7.580 9.172 1.00 0.00 C ATOM 129 CH2 TRP A 11 -4.112 6.322 8.661 1.00 0.00 C ATOM 0 H TRP A 11 -8.694 7.486 14.572 1.00 0.00 H new ATOM 0 HA TRP A 11 -6.588 8.101 12.631 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -9.346 7.069 12.002 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.662 8.306 10.967 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.803 4.655 11.247 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.982 3.490 9.826 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -5.855 8.727 10.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.619 4.252 8.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.823 8.429 8.966 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.215 6.220 8.068 1.00 0.00 H new ATOM 140 N GLN A 12 -7.958 10.372 12.101 1.00 0.00 N ATOM 141 CA GLN A 12 -8.357 11.770 12.218 1.00 0.00 C ATOM 142 C GLN A 12 -8.131 12.284 13.636 1.00 0.00 C ATOM 143 O GLN A 12 -8.954 13.021 14.177 1.00 0.00 O ATOM 144 CB GLN A 12 -9.828 11.936 11.832 1.00 0.00 C ATOM 145 CG GLN A 12 -10.790 11.250 12.789 1.00 0.00 C ATOM 146 CD GLN A 12 -12.200 11.166 12.238 1.00 0.00 C ATOM 147 OE1 GLN A 12 -12.570 10.184 11.594 1.00 0.00 O ATOM 148 NE2 GLN A 12 -12.996 12.198 12.490 1.00 0.00 N ATOM 0 H GLN A 12 -7.559 10.121 11.197 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.741 12.356 11.536 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.066 12.999 11.790 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.979 11.536 10.829 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.428 10.245 13.004 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.805 11.793 13.734 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.648 12.991 13.028 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.956 12.198 12.146 1.00 0.00 H new ATOM 157 N GLN A 13 -7.010 11.889 14.231 1.00 0.00 N ATOM 158 CA GLN A 13 -6.676 12.309 15.587 1.00 0.00 C ATOM 159 C GLN A 13 -5.177 12.188 15.841 1.00 0.00 C ATOM 160 O GLN A 13 -4.576 11.146 15.580 1.00 0.00 O ATOM 161 CB GLN A 13 -7.448 11.472 16.608 1.00 0.00 C ATOM 162 CG GLN A 13 -7.023 10.013 16.644 1.00 0.00 C ATOM 163 CD GLN A 13 -5.765 9.792 17.460 1.00 0.00 C ATOM 164 OE1 GLN A 13 -4.827 9.031 16.908 1.00 0.00 O flip ATOM 165 NE2 GLN A 13 -5.637 10.300 18.575 1.00 0.00 N flip ATOM 0 H GLN A 13 -6.318 11.279 13.796 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.961 13.355 15.696 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.312 11.906 17.599 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.512 11.526 16.380 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.832 9.413 17.061 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.857 9.661 15.626 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.384 10.878 18.961 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.784 10.142 19.112 1.00 0.00 H new ATOM 174 N ARG A 14 -4.580 13.259 16.352 1.00 0.00 N ATOM 175 CA ARG A 14 -3.151 13.273 16.640 1.00 0.00 C ATOM 176 C ARG A 14 -2.719 11.972 17.309 1.00 0.00 C ATOM 177 O ARG A 14 -3.463 11.393 18.100 1.00 0.00 O ATOM 178 CB ARG A 14 -2.801 14.461 17.538 1.00 0.00 C ATOM 179 CG ARG A 14 -3.553 14.468 18.859 1.00 0.00 C ATOM 180 CD ARG A 14 -2.793 13.710 19.936 1.00 0.00 C ATOM 181 NE ARG A 14 -3.641 13.387 21.081 1.00 0.00 N ATOM 182 CZ ARG A 14 -3.246 12.629 22.097 1.00 0.00 C ATOM 183 NH1 ARG A 14 -2.023 12.117 22.112 1.00 0.00 N ATOM 184 NH2 ARG A 14 -4.076 12.381 23.103 1.00 0.00 N ATOM 0 H ARG A 14 -5.064 14.129 16.575 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.617 13.371 15.695 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.730 14.450 17.739 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.015 15.386 17.003 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.715 15.497 19.182 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.537 14.019 18.722 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.388 12.790 19.514 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.945 14.308 20.270 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.588 13.764 21.101 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.382 12.305 21.341 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.723 11.535 22.894 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.018 12.773 23.096 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.772 11.799 23.883 1.00 0.00 H new ATOM 198 N GLU A 15 -1.512 11.518 16.985 1.00 0.00 N ATOM 199 CA GLU A 15 -0.982 10.284 17.554 1.00 0.00 C ATOM 200 C GLU A 15 0.434 10.493 18.082 1.00 0.00 C ATOM 201 O GLU A 15 1.163 11.364 17.608 1.00 0.00 O ATOM 202 CB GLU A 15 -0.988 9.169 16.506 1.00 0.00 C ATOM 203 CG GLU A 15 -0.963 7.772 17.103 1.00 0.00 C ATOM 204 CD GLU A 15 -2.209 7.459 17.908 1.00 0.00 C ATOM 205 OE1 GLU A 15 -2.223 7.761 19.120 1.00 0.00 O ATOM 206 OE2 GLU A 15 -3.170 6.913 17.327 1.00 0.00 O ATOM 0 H GLU A 15 -0.883 11.986 16.332 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.623 9.993 18.387 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.876 9.273 15.883 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.124 9.291 15.853 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.859 7.040 16.302 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.087 7.670 17.743 1.00 0.00 H new ATOM 213 N ARG A 16 0.816 9.687 19.068 1.00 0.00 N ATOM 214 CA ARG A 16 2.144 9.784 19.663 1.00 0.00 C ATOM 215 C ARG A 16 2.837 8.425 19.668 1.00 0.00 C ATOM 216 O ARG A 16 2.219 7.403 19.967 1.00 0.00 O ATOM 217 CB ARG A 16 2.048 10.325 21.090 1.00 0.00 C ATOM 218 CG ARG A 16 1.439 9.341 22.076 1.00 0.00 C ATOM 219 CD ARG A 16 1.646 9.793 23.513 1.00 0.00 C ATOM 220 NE ARG A 16 0.710 10.847 23.895 1.00 0.00 N ATOM 221 CZ ARG A 16 0.600 11.320 25.131 1.00 0.00 C ATOM 222 NH1 ARG A 16 1.363 10.834 26.101 1.00 0.00 N ATOM 223 NH2 ARG A 16 -0.275 12.280 25.401 1.00 0.00 N ATOM 0 H ARG A 16 0.225 8.960 19.471 1.00 0.00 H new ATOM 0 HA ARG A 16 2.736 10.472 19.060 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.046 10.599 21.433 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.451 11.237 21.084 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.373 9.237 21.876 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.887 8.358 21.934 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.525 8.941 24.182 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.667 10.153 23.636 1.00 0.00 H new ATOM 0 HE ARG A 16 0.108 11.242 23.173 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.036 10.095 25.898 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.276 11.199 27.049 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.865 12.656 24.659 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.358 12.642 26.351 1.00 0.00 H new ATOM 237 N ARG A 17 4.124 8.421 19.335 1.00 0.00 N ATOM 238 CA ARG A 17 4.901 7.188 19.300 1.00 0.00 C ATOM 239 C ARG A 17 6.364 7.458 19.639 1.00 0.00 C ATOM 240 O ARG A 17 6.823 8.599 19.587 1.00 0.00 O ATOM 241 CB ARG A 17 4.797 6.534 17.922 1.00 0.00 C ATOM 242 CG ARG A 17 4.853 5.016 17.962 1.00 0.00 C ATOM 243 CD ARG A 17 3.465 4.410 18.096 1.00 0.00 C ATOM 244 NE ARG A 17 3.400 3.061 17.542 1.00 0.00 N ATOM 245 CZ ARG A 17 2.268 2.471 17.174 1.00 0.00 C ATOM 246 NH1 ARG A 17 1.112 3.109 17.300 1.00 0.00 N ATOM 247 NH2 ARG A 17 2.290 1.241 16.678 1.00 0.00 N ATOM 0 H ARG A 17 4.650 9.258 19.086 1.00 0.00 H new ATOM 0 HA ARG A 17 4.492 6.509 20.048 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.863 6.842 17.453 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.607 6.902 17.292 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.327 4.644 17.054 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.473 4.696 18.799 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.181 4.384 19.148 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.741 5.046 17.587 1.00 0.00 H new ATOM 0 HE ARG A 17 4.272 2.543 17.431 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.091 4.055 17.680 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.245 2.653 17.017 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.177 0.747 16.579 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.420 0.789 16.396 1.00 0.00 H new ATOM 261 N ARG A 18 7.091 6.400 19.985 1.00 0.00 N ATOM 262 CA ARG A 18 8.501 6.523 20.333 1.00 0.00 C ATOM 263 C ARG A 18 9.346 6.797 19.092 1.00 0.00 C ATOM 264 O ARG A 18 10.156 7.724 19.073 1.00 0.00 O ATOM 265 CB ARG A 18 8.990 5.250 21.025 1.00 0.00 C ATOM 266 CG ARG A 18 8.835 5.280 22.537 1.00 0.00 C ATOM 267 CD ARG A 18 8.569 3.891 23.097 1.00 0.00 C ATOM 268 NE ARG A 18 9.804 3.198 23.453 1.00 0.00 N ATOM 269 CZ ARG A 18 10.459 3.401 24.591 1.00 0.00 C ATOM 270 NH1 ARG A 18 9.998 4.271 25.479 1.00 0.00 N ATOM 271 NH2 ARG A 18 11.577 2.732 24.843 1.00 0.00 N ATOM 0 H ARG A 18 6.726 5.449 20.032 1.00 0.00 H new ATOM 0 HA ARG A 18 8.608 7.365 21.017 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.439 4.397 20.629 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.040 5.094 20.779 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.739 5.689 22.989 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.015 5.946 22.807 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.932 3.971 23.978 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.022 3.302 22.361 1.00 0.00 H new ATOM 0 HE ARG A 18 10.185 2.521 22.792 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.138 4.786 25.289 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.503 4.425 26.352 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.934 2.061 24.163 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.079 2.889 25.717 1.00 0.00 H new ATOM 285 N TYR A 19 9.151 5.985 18.060 1.00 0.00 N ATOM 286 CA TYR A 19 9.897 6.138 16.816 1.00 0.00 C ATOM 287 C TYR A 19 8.964 6.494 15.662 1.00 0.00 C ATOM 288 O TYR A 19 7.806 6.076 15.632 1.00 0.00 O ATOM 289 CB TYR A 19 10.659 4.851 16.493 1.00 0.00 C ATOM 290 CG TYR A 19 11.871 4.629 17.369 1.00 0.00 C ATOM 291 CD1 TYR A 19 11.731 4.307 18.713 1.00 0.00 C ATOM 292 CD2 TYR A 19 13.156 4.739 16.852 1.00 0.00 C ATOM 293 CE1 TYR A 19 12.835 4.104 19.518 1.00 0.00 C ATOM 294 CE2 TYR A 19 14.266 4.536 17.649 1.00 0.00 C ATOM 295 CZ TYR A 19 14.100 4.219 18.981 1.00 0.00 C ATOM 296 OH TYR A 19 15.203 4.016 19.779 1.00 0.00 O ATOM 0 H TYR A 19 8.483 5.214 18.059 1.00 0.00 H new ATOM 0 HA TYR A 19 10.610 6.952 16.947 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.984 4.002 16.600 1.00 0.00 H new ATOM 0 HB3 TYR A 19 10.975 4.878 15.450 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.742 4.214 19.136 1.00 0.00 H new ATOM 0 HD2 TYR A 19 13.289 4.987 15.809 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.708 3.857 20.562 1.00 0.00 H new ATOM 0 HE2 TYR A 19 15.258 4.625 17.231 1.00 0.00 H new ATOM 0 HH TYR A 19 16.018 4.133 19.247 1.00 0.00 H new ATOM 306 N LYS A 20 9.478 7.268 14.712 1.00 0.00 N ATOM 307 CA LYS A 20 8.695 7.680 13.554 1.00 0.00 C ATOM 308 C LYS A 20 9.591 7.885 12.336 1.00 0.00 C ATOM 309 O LYS A 20 10.579 8.618 12.396 1.00 0.00 O ATOM 310 CB LYS A 20 7.931 8.970 13.861 1.00 0.00 C ATOM 311 CG LYS A 20 7.075 9.460 12.706 1.00 0.00 C ATOM 312 CD LYS A 20 6.560 10.869 12.953 1.00 0.00 C ATOM 313 CE LYS A 20 5.705 11.360 11.795 1.00 0.00 C ATOM 314 NZ LYS A 20 5.086 12.683 12.084 1.00 0.00 N ATOM 0 H LYS A 20 10.434 7.623 14.722 1.00 0.00 H new ATOM 0 HA LYS A 20 7.981 6.887 13.329 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.294 8.807 14.730 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.644 9.749 14.130 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.659 9.441 11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.232 8.783 12.563 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.975 10.888 13.872 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.402 11.546 13.097 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.318 11.435 10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.922 10.631 11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.511 12.983 11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.481 12.606 12.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.833 13.385 12.258 1.00 0.00 H new ATOM 328 N CYS A 21 9.240 7.235 11.232 1.00 0.00 N ATOM 329 CA CYS A 21 10.011 7.347 10.000 1.00 0.00 C ATOM 330 C CYS A 21 9.733 8.676 9.303 1.00 0.00 C ATOM 331 O CYS A 21 8.985 8.733 8.327 1.00 0.00 O ATOM 332 CB CYS A 21 9.679 6.187 9.059 1.00 0.00 C ATOM 333 SG CYS A 21 10.920 5.910 7.755 1.00 0.00 S ATOM 0 H CYS A 21 8.426 6.624 11.165 1.00 0.00 H new ATOM 0 HA CYS A 21 11.069 7.306 10.258 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.575 5.275 9.647 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.713 6.377 8.592 1.00 0.00 H new ATOM 338 N ASP A 22 10.342 9.742 9.811 1.00 0.00 N ATOM 339 CA ASP A 22 10.162 11.071 9.238 1.00 0.00 C ATOM 340 C ASP A 22 10.231 11.019 7.715 1.00 0.00 C ATOM 341 O ASP A 22 9.585 11.810 7.028 1.00 0.00 O ATOM 342 CB ASP A 22 11.225 12.030 9.776 1.00 0.00 C ATOM 343 CG ASP A 22 11.399 11.917 11.278 1.00 0.00 C ATOM 344 OD1 ASP A 22 11.750 10.817 11.753 1.00 0.00 O ATOM 345 OD2 ASP A 22 11.184 12.928 11.979 1.00 0.00 O ATOM 0 H ASP A 22 10.965 9.712 10.618 1.00 0.00 H new ATOM 0 HA ASP A 22 9.176 11.434 9.528 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.177 11.825 9.286 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.950 13.053 9.521 1.00 0.00 H new ATOM 350 N GLU A 23 11.019 10.083 7.194 1.00 0.00 N ATOM 351 CA GLU A 23 11.173 9.930 5.752 1.00 0.00 C ATOM 352 C GLU A 23 9.815 9.949 5.055 1.00 0.00 C ATOM 353 O GLU A 23 9.612 10.683 4.088 1.00 0.00 O ATOM 354 CB GLU A 23 11.906 8.626 5.431 1.00 0.00 C ATOM 355 CG GLU A 23 13.409 8.705 5.639 1.00 0.00 C ATOM 356 CD GLU A 23 13.821 8.350 7.054 1.00 0.00 C ATOM 357 OE1 GLU A 23 13.335 9.008 7.997 1.00 0.00 O ATOM 358 OE2 GLU A 23 14.630 7.413 7.218 1.00 0.00 O ATOM 0 H GLU A 23 11.560 9.420 7.749 1.00 0.00 H new ATOM 0 HA GLU A 23 11.763 10.770 5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.503 7.829 6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.705 8.352 4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.905 8.031 4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.752 9.713 5.407 1.00 0.00 H new ATOM 365 N CYS A 24 8.890 9.136 5.553 1.00 0.00 N ATOM 366 CA CYS A 24 7.552 9.057 4.980 1.00 0.00 C ATOM 367 C CYS A 24 6.513 9.624 5.943 1.00 0.00 C ATOM 368 O CYS A 24 5.643 10.400 5.548 1.00 0.00 O ATOM 369 CB CYS A 24 7.207 7.607 4.635 1.00 0.00 C ATOM 370 SG CYS A 24 7.927 6.381 5.773 1.00 0.00 S ATOM 0 H CYS A 24 9.043 8.522 6.353 1.00 0.00 H new ATOM 0 HA CYS A 24 7.539 9.653 4.068 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.123 7.493 4.634 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.551 7.394 3.623 1.00 0.00 H new ATOM 375 N GLY A 25 6.610 9.230 7.209 1.00 0.00 N ATOM 376 CA GLY A 25 5.673 9.708 8.209 1.00 0.00 C ATOM 377 C GLY A 25 4.985 8.576 8.947 1.00 0.00 C ATOM 378 O GLY A 25 3.835 8.706 9.364 1.00 0.00 O ATOM 0 H GLY A 25 7.321 8.588 7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.201 10.337 8.926 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.921 10.334 7.728 1.00 0.00 H new ATOM 382 N LYS A 26 5.691 7.462 9.107 1.00 0.00 N ATOM 383 CA LYS A 26 5.142 6.301 9.798 1.00 0.00 C ATOM 384 C LYS A 26 5.676 6.215 11.224 1.00 0.00 C ATOM 385 O LYS A 26 6.677 6.847 11.562 1.00 0.00 O ATOM 386 CB LYS A 26 5.483 5.019 9.036 1.00 0.00 C ATOM 387 CG LYS A 26 4.446 3.921 9.198 1.00 0.00 C ATOM 388 CD LYS A 26 4.825 2.676 8.414 1.00 0.00 C ATOM 389 CE LYS A 26 3.605 1.825 8.094 1.00 0.00 C ATOM 390 NZ LYS A 26 2.899 2.305 6.874 1.00 0.00 N ATOM 0 H LYS A 26 6.645 7.338 8.767 1.00 0.00 H new ATOM 0 HA LYS A 26 4.059 6.413 9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.589 5.253 7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.449 4.648 9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.343 3.670 10.254 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.475 4.283 8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.321 2.965 7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.540 2.087 8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.912 0.789 7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.919 1.841 8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.074 1.699 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.584 3.285 7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.546 2.266 6.061 1.00 0.00 H new ATOM 404 N SER A 27 5.003 5.428 12.057 1.00 0.00 N ATOM 405 CA SER A 27 5.409 5.261 13.448 1.00 0.00 C ATOM 406 C SER A 27 5.451 3.784 13.828 1.00 0.00 C ATOM 407 O SER A 27 4.622 2.992 13.379 1.00 0.00 O ATOM 408 CB SER A 27 4.451 6.011 14.375 1.00 0.00 C ATOM 409 OG SER A 27 3.191 5.365 14.437 1.00 0.00 O ATOM 0 H SER A 27 4.174 4.896 11.793 1.00 0.00 H new ATOM 0 HA SER A 27 6.411 5.676 13.560 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.881 6.073 15.375 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.322 7.033 14.020 1.00 0.00 H new ATOM 0 HG SER A 27 2.597 5.863 15.037 1.00 0.00 H new ATOM 415 N PHE A 28 6.422 3.420 14.659 1.00 0.00 N ATOM 416 CA PHE A 28 6.574 2.039 15.100 1.00 0.00 C ATOM 417 C PHE A 28 6.765 1.968 16.612 1.00 0.00 C ATOM 418 O PHE A 28 6.983 2.986 17.269 1.00 0.00 O ATOM 419 CB PHE A 28 7.763 1.383 14.393 1.00 0.00 C ATOM 420 CG PHE A 28 7.697 1.479 12.896 1.00 0.00 C ATOM 421 CD1 PHE A 28 7.957 2.679 12.253 1.00 0.00 C ATOM 422 CD2 PHE A 28 7.376 0.369 12.131 1.00 0.00 C ATOM 423 CE1 PHE A 28 7.898 2.770 10.875 1.00 0.00 C ATOM 424 CE2 PHE A 28 7.316 0.455 10.753 1.00 0.00 C ATOM 425 CZ PHE A 28 7.576 1.657 10.124 1.00 0.00 C ATOM 0 H PHE A 28 7.116 4.063 15.041 1.00 0.00 H new ATOM 0 HA PHE A 28 5.663 1.499 14.841 1.00 0.00 H new ATOM 0 HB2 PHE A 28 8.685 1.851 14.739 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.812 0.333 14.680 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.209 3.553 12.835 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.171 -0.573 12.617 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.104 3.711 10.386 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.066 -0.418 10.168 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.528 1.726 9.047 1.00 0.00 H new ATOM 435 N SER A 29 6.680 0.759 17.157 1.00 0.00 N ATOM 436 CA SER A 29 6.838 0.555 18.592 1.00 0.00 C ATOM 437 C SER A 29 8.250 0.078 18.921 1.00 0.00 C ATOM 438 O SER A 29 8.834 0.478 19.929 1.00 0.00 O ATOM 439 CB SER A 29 5.813 -0.461 19.101 1.00 0.00 C ATOM 440 OG SER A 29 4.494 -0.060 18.777 1.00 0.00 O ATOM 0 H SER A 29 6.503 -0.094 16.627 1.00 0.00 H new ATOM 0 HA SER A 29 6.670 1.510 19.090 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.017 -1.438 18.664 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.909 -0.569 20.181 1.00 0.00 H new ATOM 0 HG SER A 29 3.858 -0.726 19.111 1.00 0.00 H new ATOM 446 N HIS A 30 8.793 -0.780 18.063 1.00 0.00 N ATOM 447 CA HIS A 30 10.136 -1.311 18.260 1.00 0.00 C ATOM 448 C HIS A 30 11.098 -0.761 17.211 1.00 0.00 C ATOM 449 O HIS A 30 10.978 -1.065 16.025 1.00 0.00 O ATOM 450 CB HIS A 30 10.117 -2.839 18.199 1.00 0.00 C ATOM 451 CG HIS A 30 11.104 -3.488 19.120 1.00 0.00 C ATOM 452 ND1 HIS A 30 12.010 -4.440 18.702 1.00 0.00 N ATOM 453 CD2 HIS A 30 11.326 -3.315 20.444 1.00 0.00 C ATOM 454 CE1 HIS A 30 12.745 -4.826 19.730 1.00 0.00 C ATOM 455 NE2 HIS A 30 12.350 -4.158 20.799 1.00 0.00 N ATOM 0 H HIS A 30 8.323 -1.122 17.225 1.00 0.00 H new ATOM 0 HA HIS A 30 10.482 -0.998 19.245 1.00 0.00 H new ATOM 0 HB2 HIS A 30 9.116 -3.192 18.446 1.00 0.00 H new ATOM 0 HB3 HIS A 30 10.323 -3.156 17.177 1.00 0.00 H new ATOM 0 HD2 HIS A 30 10.796 -2.640 21.099 1.00 0.00 H new ATOM 0 HE1 HIS A 30 13.534 -5.562 19.701 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.742 -4.253 21.736 1.00 0.00 H new ATOM 463 N SER A 31 12.051 0.052 17.658 1.00 0.00 N ATOM 464 CA SER A 31 13.030 0.649 16.757 1.00 0.00 C ATOM 465 C SER A 31 13.479 -0.356 15.700 1.00 0.00 C ATOM 466 O SER A 31 13.539 -0.038 14.512 1.00 0.00 O ATOM 467 CB SER A 31 14.241 1.150 17.546 1.00 0.00 C ATOM 468 OG SER A 31 14.867 0.090 18.249 1.00 0.00 O ATOM 0 H SER A 31 12.166 0.312 18.638 1.00 0.00 H new ATOM 0 HA SER A 31 12.558 1.493 16.254 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.957 1.612 16.865 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.927 1.921 18.249 1.00 0.00 H new ATOM 0 HG SER A 31 15.639 0.436 18.744 1.00 0.00 H new ATOM 474 N SER A 32 13.793 -1.570 16.141 1.00 0.00 N ATOM 475 CA SER A 32 14.240 -2.621 15.234 1.00 0.00 C ATOM 476 C SER A 32 13.370 -2.664 13.982 1.00 0.00 C ATOM 477 O SER A 32 13.875 -2.780 12.865 1.00 0.00 O ATOM 478 CB SER A 32 14.208 -3.978 15.938 1.00 0.00 C ATOM 479 OG SER A 32 15.399 -4.200 16.673 1.00 0.00 O ATOM 0 H SER A 32 13.746 -1.850 17.121 1.00 0.00 H new ATOM 0 HA SER A 32 15.264 -2.398 14.936 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.350 -4.023 16.608 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.079 -4.771 15.201 1.00 0.00 H new ATOM 0 HG SER A 32 15.353 -5.073 17.115 1.00 0.00 H new ATOM 485 N ASP A 33 12.059 -2.569 14.176 1.00 0.00 N ATOM 486 CA ASP A 33 11.117 -2.596 13.063 1.00 0.00 C ATOM 487 C ASP A 33 11.381 -1.442 12.100 1.00 0.00 C ATOM 488 O ASP A 33 11.747 -1.656 10.944 1.00 0.00 O ATOM 489 CB ASP A 33 9.680 -2.525 13.581 1.00 0.00 C ATOM 490 CG ASP A 33 9.205 -3.846 14.154 1.00 0.00 C ATOM 491 OD1 ASP A 33 9.884 -4.380 15.057 1.00 0.00 O ATOM 492 OD2 ASP A 33 8.155 -4.346 13.699 1.00 0.00 O ATOM 0 H ASP A 33 11.624 -2.473 15.094 1.00 0.00 H new ATOM 0 HA ASP A 33 11.255 -3.534 12.525 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.611 -1.754 14.348 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.018 -2.226 12.768 1.00 0.00 H new ATOM 497 N LEU A 34 11.191 -0.220 12.583 1.00 0.00 N ATOM 498 CA LEU A 34 11.407 0.969 11.765 1.00 0.00 C ATOM 499 C LEU A 34 12.558 0.754 10.787 1.00 0.00 C ATOM 500 O LEU A 34 12.498 1.190 9.637 1.00 0.00 O ATOM 501 CB LEU A 34 11.698 2.179 12.655 1.00 0.00 C ATOM 502 CG LEU A 34 12.208 3.430 11.940 1.00 0.00 C ATOM 503 CD1 LEU A 34 11.128 4.008 11.038 1.00 0.00 C ATOM 504 CD2 LEU A 34 12.674 4.469 12.950 1.00 0.00 C ATOM 0 H LEU A 34 10.888 -0.026 13.537 1.00 0.00 H new ATOM 0 HA LEU A 34 10.498 1.157 11.193 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.785 2.438 13.192 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.435 1.886 13.403 1.00 0.00 H new ATOM 0 HG LEU A 34 13.058 3.148 11.319 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.510 4.898 10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.842 3.267 10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.257 4.274 11.637 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.034 5.353 12.423 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.842 4.746 13.597 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.481 4.053 13.554 1.00 0.00 H new ATOM 516 N SER A 35 13.604 0.079 11.251 1.00 0.00 N ATOM 517 CA SER A 35 14.770 -0.192 10.418 1.00 0.00 C ATOM 518 C SER A 35 14.390 -1.050 9.215 1.00 0.00 C ATOM 519 O SER A 35 14.621 -0.668 8.067 1.00 0.00 O ATOM 520 CB SER A 35 15.856 -0.894 11.236 1.00 0.00 C ATOM 521 OG SER A 35 16.290 -0.080 12.312 1.00 0.00 O ATOM 0 H SER A 35 13.668 -0.291 12.200 1.00 0.00 H new ATOM 0 HA SER A 35 15.156 0.761 10.056 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.472 -1.838 11.622 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.703 -1.134 10.593 1.00 0.00 H new ATOM 0 HG SER A 35 16.983 -0.552 12.820 1.00 0.00 H new ATOM 527 N LYS A 36 13.806 -2.212 9.485 1.00 0.00 N ATOM 528 CA LYS A 36 13.391 -3.125 8.427 1.00 0.00 C ATOM 529 C LYS A 36 12.410 -2.447 7.476 1.00 0.00 C ATOM 530 O LYS A 36 12.425 -2.697 6.270 1.00 0.00 O ATOM 531 CB LYS A 36 12.751 -4.379 9.028 1.00 0.00 C ATOM 532 CG LYS A 36 11.272 -4.220 9.333 1.00 0.00 C ATOM 533 CD LYS A 36 10.859 -5.046 10.540 1.00 0.00 C ATOM 534 CE LYS A 36 10.435 -6.449 10.136 1.00 0.00 C ATOM 535 NZ LYS A 36 11.490 -7.141 9.344 1.00 0.00 N ATOM 0 H LYS A 36 13.609 -2.544 10.429 1.00 0.00 H new ATOM 0 HA LYS A 36 14.278 -3.412 7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.883 -5.211 8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.277 -4.641 9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.048 -3.169 9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.686 -4.524 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.689 -5.104 11.244 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.037 -4.551 11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.210 -7.032 11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.517 -6.397 9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.330 -8.168 9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.453 -6.815 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.424 -6.924 9.746 1.00 0.00 H new ATOM 549 N HIS A 37 11.559 -1.586 8.026 1.00 0.00 N ATOM 550 CA HIS A 37 10.572 -0.870 7.225 1.00 0.00 C ATOM 551 C HIS A 37 11.252 -0.041 6.139 1.00 0.00 C ATOM 552 O HIS A 37 11.025 -0.256 4.948 1.00 0.00 O ATOM 553 CB HIS A 37 9.722 0.035 8.117 1.00 0.00 C ATOM 554 CG HIS A 37 9.229 1.268 7.423 1.00 0.00 C ATOM 555 ND1 HIS A 37 8.136 1.273 6.583 1.00 0.00 N ATOM 556 CD2 HIS A 37 9.688 2.541 7.449 1.00 0.00 C ATOM 557 CE1 HIS A 37 7.943 2.496 6.122 1.00 0.00 C ATOM 558 NE2 HIS A 37 8.872 3.284 6.632 1.00 0.00 N ATOM 0 H HIS A 37 11.533 -1.367 9.022 1.00 0.00 H new ATOM 0 HA HIS A 37 9.926 -1.605 6.745 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.867 -0.531 8.485 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.309 0.328 8.988 1.00 0.00 H new ATOM 0 HD1 HIS A 37 7.565 0.459 6.353 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.538 2.905 8.008 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.159 2.800 5.444 1.00 0.00 H new ATOM 566 N ARG A 38 12.085 0.906 6.558 1.00 0.00 N ATOM 567 CA ARG A 38 12.795 1.768 5.622 1.00 0.00 C ATOM 568 C ARG A 38 13.082 1.032 4.316 1.00 0.00 C ATOM 569 O ARG A 38 12.868 1.569 3.229 1.00 0.00 O ATOM 570 CB ARG A 38 14.104 2.261 6.241 1.00 0.00 C ATOM 571 CG ARG A 38 13.968 3.581 6.982 1.00 0.00 C ATOM 572 CD ARG A 38 13.586 3.365 8.438 1.00 0.00 C ATOM 573 NE ARG A 38 13.984 4.489 9.281 1.00 0.00 N ATOM 574 CZ ARG A 38 15.202 4.626 9.795 1.00 0.00 C ATOM 575 NH1 ARG A 38 16.134 3.715 9.553 1.00 0.00 N ATOM 576 NH2 ARG A 38 15.488 5.677 10.553 1.00 0.00 N ATOM 0 H ARG A 38 12.285 1.095 7.540 1.00 0.00 H new ATOM 0 HA ARG A 38 12.159 2.626 5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 38 14.478 1.504 6.930 1.00 0.00 H new ATOM 0 HB3 ARG A 38 14.850 2.371 5.454 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.909 4.128 6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 38 13.213 4.197 6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.508 3.220 8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.056 2.453 8.805 1.00 0.00 H new ATOM 0 HE ARG A 38 13.290 5.208 9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.917 2.906 8.971 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.068 3.823 9.949 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.773 6.380 10.741 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.423 5.782 10.947 1.00 0.00 H new ATOM 590 N ARG A 39 13.570 -0.199 4.432 1.00 0.00 N ATOM 591 CA ARG A 39 13.888 -1.008 3.262 1.00 0.00 C ATOM 592 C ARG A 39 12.834 -0.829 2.174 1.00 0.00 C ATOM 593 O ARG A 39 13.158 -0.551 1.019 1.00 0.00 O ATOM 594 CB ARG A 39 13.992 -2.484 3.649 1.00 0.00 C ATOM 595 CG ARG A 39 15.173 -2.796 4.553 1.00 0.00 C ATOM 596 CD ARG A 39 15.479 -4.285 4.577 1.00 0.00 C ATOM 597 NE ARG A 39 16.870 -4.552 4.932 1.00 0.00 N ATOM 598 CZ ARG A 39 17.462 -5.728 4.753 1.00 0.00 C ATOM 599 NH1 ARG A 39 16.787 -6.740 4.226 1.00 0.00 N ATOM 600 NH2 ARG A 39 18.731 -5.893 5.102 1.00 0.00 N ATOM 0 H ARG A 39 13.754 -0.658 5.324 1.00 0.00 H new ATOM 0 HA ARG A 39 14.849 -0.674 2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 39 13.072 -2.785 4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.071 -3.084 2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.051 -2.249 4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.959 -2.451 5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.821 -4.779 5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.266 -4.715 3.598 1.00 0.00 H new ATOM 0 HE ARG A 39 17.417 -3.794 5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.811 -6.617 3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.244 -7.642 4.090 1.00 0.00 H new ATOM 0 HH21 ARG A 39 19.253 -5.117 5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 39 19.185 -6.796 4.964 1.00 0.00 H new ATOM 614 N THR A 40 11.569 -0.991 2.550 1.00 0.00 N ATOM 615 CA THR A 40 10.467 -0.849 1.607 1.00 0.00 C ATOM 616 C THR A 40 10.682 0.346 0.686 1.00 0.00 C ATOM 617 O THR A 40 10.381 0.286 -0.507 1.00 0.00 O ATOM 618 CB THR A 40 9.120 -0.684 2.337 1.00 0.00 C ATOM 619 OG1 THR A 40 8.046 -0.687 1.390 1.00 0.00 O ATOM 620 CG2 THR A 40 9.094 0.610 3.137 1.00 0.00 C ATOM 0 H THR A 40 11.283 -1.221 3.502 1.00 0.00 H new ATOM 0 HA THR A 40 10.440 -1.762 1.013 1.00 0.00 H new ATOM 0 HB THR A 40 8.999 -1.521 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.193 -0.583 1.862 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.134 0.705 3.644 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.895 0.597 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.235 1.456 2.465 1.00 0.00 H new ATOM 628 N HIS A 41 11.205 1.433 1.245 1.00 0.00 N ATOM 629 CA HIS A 41 11.462 2.643 0.473 1.00 0.00 C ATOM 630 C HIS A 41 12.065 2.302 -0.886 1.00 0.00 C ATOM 631 O HIS A 41 11.723 2.910 -1.901 1.00 0.00 O ATOM 632 CB HIS A 41 12.399 3.575 1.241 1.00 0.00 C ATOM 633 CG HIS A 41 11.738 4.281 2.384 1.00 0.00 C ATOM 634 ND1 HIS A 41 10.558 4.983 2.253 1.00 0.00 N ATOM 635 CD2 HIS A 41 12.097 4.391 3.684 1.00 0.00 C ATOM 636 CE1 HIS A 41 10.221 5.494 3.423 1.00 0.00 C ATOM 637 NE2 HIS A 41 11.138 5.149 4.309 1.00 0.00 N ATOM 0 H HIS A 41 11.459 1.500 2.231 1.00 0.00 H new ATOM 0 HA HIS A 41 10.511 3.150 0.312 1.00 0.00 H new ATOM 0 HB2 HIS A 41 13.242 2.997 1.620 1.00 0.00 H new ATOM 0 HB3 HIS A 41 12.805 4.316 0.553 1.00 0.00 H new ATOM 0 HD1 HIS A 41 10.029 5.091 1.388 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.975 3.962 4.144 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.344 6.093 3.622 1.00 0.00 H new ATOM 645 N THR A 42 12.967 1.325 -0.900 1.00 0.00 N ATOM 646 CA THR A 42 13.620 0.904 -2.133 1.00 0.00 C ATOM 647 C THR A 42 12.661 0.980 -3.316 1.00 0.00 C ATOM 648 O THR A 42 12.933 1.661 -4.304 1.00 0.00 O ATOM 649 CB THR A 42 14.163 -0.533 -2.019 1.00 0.00 C ATOM 650 OG1 THR A 42 13.105 -1.430 -1.665 1.00 0.00 O ATOM 651 CG2 THR A 42 15.271 -0.612 -0.979 1.00 0.00 C ATOM 0 H THR A 42 13.262 0.810 -0.070 1.00 0.00 H new ATOM 0 HA THR A 42 14.453 1.587 -2.299 1.00 0.00 H new ATOM 0 HB THR A 42 14.574 -0.820 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.889 -1.322 -0.715 1.00 0.00 H new ATOM 0 HG21 THR A 42 15.639 -1.636 -0.916 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.088 0.050 -1.267 1.00 0.00 H new ATOM 0 HG23 THR A 42 14.881 -0.306 -0.008 1.00 0.00 H new ATOM 659 N GLY A 43 11.538 0.277 -3.208 1.00 0.00 N ATOM 660 CA GLY A 43 10.556 0.280 -4.277 1.00 0.00 C ATOM 661 C GLY A 43 11.141 -0.163 -5.603 1.00 0.00 C ATOM 662 O GLY A 43 12.357 -0.141 -5.790 1.00 0.00 O ATOM 0 H GLY A 43 11.291 -0.294 -2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.730 -0.379 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.142 1.283 -4.383 1.00 0.00 H new ATOM 666 N GLU A 44 10.273 -0.569 -6.525 1.00 0.00 N ATOM 667 CA GLU A 44 10.712 -1.022 -7.840 1.00 0.00 C ATOM 668 C GLU A 44 9.952 -0.297 -8.947 1.00 0.00 C ATOM 669 O GLU A 44 10.527 0.079 -9.968 1.00 0.00 O ATOM 670 CB GLU A 44 10.516 -2.533 -7.975 1.00 0.00 C ATOM 671 CG GLU A 44 11.486 -3.189 -8.942 1.00 0.00 C ATOM 672 CD GLU A 44 10.940 -4.472 -9.537 1.00 0.00 C ATOM 673 OE1 GLU A 44 10.909 -5.493 -8.818 1.00 0.00 O ATOM 674 OE2 GLU A 44 10.543 -4.456 -10.721 1.00 0.00 O ATOM 0 H GLU A 44 9.263 -0.593 -6.386 1.00 0.00 H new ATOM 0 HA GLU A 44 11.772 -0.791 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.627 -2.994 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.497 -2.730 -8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.719 -2.491 -9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.421 -3.403 -8.424 1.00 0.00 H new ATOM 681 N LYS A 45 8.654 -0.107 -8.737 1.00 0.00 N ATOM 682 CA LYS A 45 7.812 0.572 -9.715 1.00 0.00 C ATOM 683 C LYS A 45 8.259 2.018 -9.907 1.00 0.00 C ATOM 684 O LYS A 45 8.887 2.620 -9.036 1.00 0.00 O ATOM 685 CB LYS A 45 6.348 0.535 -9.272 1.00 0.00 C ATOM 686 CG LYS A 45 5.599 -0.697 -9.751 1.00 0.00 C ATOM 687 CD LYS A 45 5.705 -1.837 -8.752 1.00 0.00 C ATOM 688 CE LYS A 45 5.477 -3.185 -9.419 1.00 0.00 C ATOM 689 NZ LYS A 45 6.714 -3.698 -10.070 1.00 0.00 N ATOM 0 H LYS A 45 8.162 -0.414 -7.898 1.00 0.00 H new ATOM 0 HA LYS A 45 7.911 0.050 -10.667 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.305 0.576 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.842 1.426 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.550 -0.447 -9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.000 -1.016 -10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.690 -1.823 -8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.973 -1.695 -7.957 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.133 -3.904 -8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.686 -3.093 -10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.517 -4.618 -10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.029 -3.024 -10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.461 -3.811 -9.355 1.00 0.00 H new ATOM 703 N PRO A 46 7.927 2.591 -11.074 1.00 0.00 N ATOM 704 CA PRO A 46 8.283 3.974 -11.406 1.00 0.00 C ATOM 705 C PRO A 46 7.505 4.988 -10.575 1.00 0.00 C ATOM 706 O PRO A 46 7.637 6.197 -10.769 1.00 0.00 O ATOM 707 CB PRO A 46 7.904 4.092 -12.885 1.00 0.00 C ATOM 708 CG PRO A 46 6.842 3.067 -13.087 1.00 0.00 C ATOM 709 CD PRO A 46 7.179 1.933 -12.158 1.00 0.00 C ATOM 0 HA PRO A 46 9.333 4.185 -11.202 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.540 5.092 -13.122 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.763 3.905 -13.530 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.857 3.476 -12.862 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.818 2.729 -14.123 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.282 1.439 -11.785 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.779 1.171 -12.655 1.00 0.00 H new ATOM 717 N TYR A 47 6.695 4.489 -9.648 1.00 0.00 N ATOM 718 CA TYR A 47 5.895 5.353 -8.787 1.00 0.00 C ATOM 719 C TYR A 47 5.625 4.684 -7.443 1.00 0.00 C ATOM 720 O TYR A 47 5.332 3.490 -7.377 1.00 0.00 O ATOM 721 CB TYR A 47 4.571 5.702 -9.470 1.00 0.00 C ATOM 722 CG TYR A 47 4.736 6.214 -10.883 1.00 0.00 C ATOM 723 CD1 TYR A 47 5.014 7.553 -11.131 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.613 5.359 -11.971 1.00 0.00 C ATOM 725 CE1 TYR A 47 5.164 8.024 -12.420 1.00 0.00 C ATOM 726 CE2 TYR A 47 4.763 5.821 -13.264 1.00 0.00 C ATOM 727 CZ TYR A 47 5.038 7.155 -13.484 1.00 0.00 C ATOM 728 OH TYR A 47 5.188 7.621 -14.770 1.00 0.00 O ATOM 0 H TYR A 47 6.575 3.491 -9.473 1.00 0.00 H new ATOM 0 HA TYR A 47 6.459 6.269 -8.610 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.935 4.817 -9.485 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.054 6.456 -8.877 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.114 8.237 -10.301 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.396 4.314 -11.803 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.379 9.068 -12.595 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.666 5.142 -14.098 1.00 0.00 H new ATOM 0 HH TYR A 47 5.070 6.881 -15.402 1.00 0.00 H new ATOM 738 N LYS A 48 5.727 5.462 -6.371 1.00 0.00 N ATOM 739 CA LYS A 48 5.493 4.949 -5.027 1.00 0.00 C ATOM 740 C LYS A 48 5.043 6.064 -4.089 1.00 0.00 C ATOM 741 O LYS A 48 5.638 7.142 -4.059 1.00 0.00 O ATOM 742 CB LYS A 48 6.763 4.292 -4.482 1.00 0.00 C ATOM 743 CG LYS A 48 6.497 3.253 -3.406 1.00 0.00 C ATOM 744 CD LYS A 48 7.660 3.145 -2.434 1.00 0.00 C ATOM 745 CE LYS A 48 7.271 2.375 -1.182 1.00 0.00 C ATOM 746 NZ LYS A 48 8.176 2.680 -0.039 1.00 0.00 N ATOM 0 H LYS A 48 5.971 6.452 -6.407 1.00 0.00 H new ATOM 0 HA LYS A 48 4.700 4.203 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.300 3.821 -5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.416 5.064 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.590 3.516 -2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.320 2.283 -3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.498 2.648 -2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.998 4.144 -2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.245 2.621 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.297 1.305 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.661 2.553 0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.993 2.037 -0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.507 3.663 -0.111 1.00 0.00 H new ATOM 760 N CYS A 49 3.989 5.799 -3.324 1.00 0.00 N ATOM 761 CA CYS A 49 3.459 6.779 -2.384 1.00 0.00 C ATOM 762 C CYS A 49 4.046 6.570 -0.991 1.00 0.00 C ATOM 763 O CYS A 49 3.634 5.667 -0.262 1.00 0.00 O ATOM 764 CB CYS A 49 1.933 6.687 -2.326 1.00 0.00 C ATOM 765 SG CYS A 49 1.149 7.976 -1.305 1.00 0.00 S ATOM 0 H CYS A 49 3.485 4.912 -3.337 1.00 0.00 H new ATOM 0 HA CYS A 49 3.744 7.772 -2.733 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.537 6.750 -3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.653 5.709 -1.935 1.00 0.00 H new ATOM 770 N ASP A 50 5.009 7.409 -0.629 1.00 0.00 N ATOM 771 CA ASP A 50 5.652 7.318 0.677 1.00 0.00 C ATOM 772 C ASP A 50 4.616 7.359 1.797 1.00 0.00 C ATOM 773 O ASP A 50 4.675 6.569 2.738 1.00 0.00 O ATOM 774 CB ASP A 50 6.658 8.456 0.854 1.00 0.00 C ATOM 775 CG ASP A 50 7.678 8.507 -0.267 1.00 0.00 C ATOM 776 OD1 ASP A 50 8.190 7.435 -0.652 1.00 0.00 O ATOM 777 OD2 ASP A 50 7.962 9.619 -0.759 1.00 0.00 O ATOM 0 H ASP A 50 5.362 8.160 -1.221 1.00 0.00 H new ATOM 0 HA ASP A 50 6.180 6.366 0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.124 9.405 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.175 8.335 1.806 1.00 0.00 H new ATOM 782 N GLU A 51 3.670 8.286 1.687 1.00 0.00 N ATOM 783 CA GLU A 51 2.623 8.430 2.691 1.00 0.00 C ATOM 784 C GLU A 51 2.166 7.067 3.201 1.00 0.00 C ATOM 785 O GLU A 51 2.309 6.753 4.384 1.00 0.00 O ATOM 786 CB GLU A 51 1.431 9.196 2.112 1.00 0.00 C ATOM 787 CG GLU A 51 1.771 10.609 1.671 1.00 0.00 C ATOM 788 CD GLU A 51 2.269 11.472 2.814 1.00 0.00 C ATOM 789 OE1 GLU A 51 1.658 11.425 3.902 1.00 0.00 O ATOM 790 OE2 GLU A 51 3.269 12.195 2.620 1.00 0.00 O ATOM 0 H GLU A 51 3.607 8.948 0.913 1.00 0.00 H new ATOM 0 HA GLU A 51 3.035 8.993 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.035 8.644 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.639 9.239 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.532 10.569 0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.888 11.071 1.230 1.00 0.00 H new ATOM 797 N CYS A 52 1.615 6.259 2.301 1.00 0.00 N ATOM 798 CA CYS A 52 1.136 4.929 2.658 1.00 0.00 C ATOM 799 C CYS A 52 2.236 3.887 2.474 1.00 0.00 C ATOM 800 O CYS A 52 2.539 3.122 3.388 1.00 0.00 O ATOM 801 CB CYS A 52 -0.080 4.558 1.808 1.00 0.00 C ATOM 802 SG CYS A 52 0.126 4.891 0.029 1.00 0.00 S ATOM 0 H CYS A 52 1.489 6.502 1.319 1.00 0.00 H new ATOM 0 HA CYS A 52 0.846 4.944 3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.296 3.499 1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.946 5.110 2.172 1.00 0.00 H new ATOM 807 N GLY A 53 2.830 3.865 1.284 1.00 0.00 N ATOM 808 CA GLY A 53 3.889 2.914 1.002 1.00 0.00 C ATOM 809 C GLY A 53 3.501 1.915 -0.069 1.00 0.00 C ATOM 810 O GLY A 53 3.960 0.772 -0.060 1.00 0.00 O ATOM 0 H GLY A 53 2.597 4.488 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.782 3.453 0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.146 2.380 1.917 1.00 0.00 H new ATOM 814 N LYS A 54 2.650 2.343 -0.995 1.00 0.00 N ATOM 815 CA LYS A 54 2.198 1.478 -2.079 1.00 0.00 C ATOM 816 C LYS A 54 2.803 1.913 -3.410 1.00 0.00 C ATOM 817 O LYS A 54 3.048 3.098 -3.634 1.00 0.00 O ATOM 818 CB LYS A 54 0.670 1.497 -2.170 1.00 0.00 C ATOM 819 CG LYS A 54 0.108 0.485 -3.154 1.00 0.00 C ATOM 820 CD LYS A 54 -1.314 0.088 -2.793 1.00 0.00 C ATOM 821 CE LYS A 54 -1.713 -1.221 -3.458 1.00 0.00 C ATOM 822 NZ LYS A 54 -3.182 -1.455 -3.385 1.00 0.00 N ATOM 0 H LYS A 54 2.259 3.285 -1.017 1.00 0.00 H new ATOM 0 HA LYS A 54 2.531 0.463 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.253 1.301 -1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.344 2.495 -2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.125 0.905 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.742 -0.402 -3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.402 -0.011 -1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.002 0.877 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.399 -1.209 -4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.189 -2.047 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.413 -2.357 -3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.479 -1.492 -2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.681 -0.680 -3.866 1.00 0.00 H new ATOM 836 N ALA A 55 3.039 0.946 -4.291 1.00 0.00 N ATOM 837 CA ALA A 55 3.611 1.230 -5.601 1.00 0.00 C ATOM 838 C ALA A 55 2.558 1.113 -6.698 1.00 0.00 C ATOM 839 O ALA A 55 1.644 0.293 -6.610 1.00 0.00 O ATOM 840 CB ALA A 55 4.775 0.291 -5.883 1.00 0.00 C ATOM 0 H ALA A 55 2.843 -0.040 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 55 3.978 2.256 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.193 0.514 -6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.544 0.426 -5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.423 -0.740 -5.864 1.00 0.00 H new ATOM 846 N PHE A 56 2.691 1.939 -7.730 1.00 0.00 N ATOM 847 CA PHE A 56 1.749 1.930 -8.843 1.00 0.00 C ATOM 848 C PHE A 56 2.485 1.951 -10.179 1.00 0.00 C ATOM 849 O PHE A 56 2.946 3.000 -10.629 1.00 0.00 O ATOM 850 CB PHE A 56 0.804 3.130 -8.750 1.00 0.00 C ATOM 851 CG PHE A 56 0.130 3.260 -7.414 1.00 0.00 C ATOM 852 CD1 PHE A 56 0.826 3.741 -6.316 1.00 0.00 C ATOM 853 CD2 PHE A 56 -1.199 2.902 -7.255 1.00 0.00 C ATOM 854 CE1 PHE A 56 0.208 3.860 -5.085 1.00 0.00 C ATOM 855 CE2 PHE A 56 -1.822 3.020 -6.027 1.00 0.00 C ATOM 856 CZ PHE A 56 -1.118 3.501 -4.941 1.00 0.00 C ATOM 0 H PHE A 56 3.442 2.623 -7.819 1.00 0.00 H new ATOM 0 HA PHE A 56 1.165 1.011 -8.784 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.366 4.041 -8.955 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.043 3.044 -9.525 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.862 4.026 -6.423 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.755 2.526 -8.101 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.762 4.233 -4.236 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.858 2.736 -5.917 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.603 3.596 -3.981 1.00 0.00 H new ATOM 866 N ILE A 57 2.593 0.785 -10.807 1.00 0.00 N ATOM 867 CA ILE A 57 3.273 0.669 -12.091 1.00 0.00 C ATOM 868 C ILE A 57 3.001 1.886 -12.968 1.00 0.00 C ATOM 869 O ILE A 57 3.922 2.469 -13.539 1.00 0.00 O ATOM 870 CB ILE A 57 2.838 -0.601 -12.846 1.00 0.00 C ATOM 871 CG1 ILE A 57 3.104 -1.844 -11.993 1.00 0.00 C ATOM 872 CG2 ILE A 57 3.565 -0.700 -14.178 1.00 0.00 C ATOM 873 CD1 ILE A 57 1.941 -2.229 -11.107 1.00 0.00 C ATOM 0 H ILE A 57 2.218 -0.093 -10.447 1.00 0.00 H new ATOM 0 HA ILE A 57 4.340 0.608 -11.879 1.00 0.00 H new ATOM 0 HB ILE A 57 1.768 -0.541 -13.043 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.343 -2.681 -12.649 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.981 -1.667 -11.371 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.247 -1.603 -14.700 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.330 0.173 -14.787 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.640 -0.741 -14.003 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.200 -3.118 -10.532 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.716 -1.409 -10.426 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.067 -2.439 -11.724 1.00 0.00 H new ATOM 885 N GLN A 58 1.731 2.265 -13.069 1.00 0.00 N ATOM 886 CA GLN A 58 1.339 3.414 -13.876 1.00 0.00 C ATOM 887 C GLN A 58 1.400 4.700 -13.059 1.00 0.00 C ATOM 888 O GLN A 58 1.577 4.665 -11.841 1.00 0.00 O ATOM 889 CB GLN A 58 -0.072 3.215 -14.432 1.00 0.00 C ATOM 890 CG GLN A 58 -0.297 3.889 -15.776 1.00 0.00 C ATOM 891 CD GLN A 58 -1.489 3.322 -16.521 1.00 0.00 C ATOM 892 OE1 GLN A 58 -1.606 2.108 -16.697 1.00 0.00 O ATOM 893 NE2 GLN A 58 -2.383 4.198 -16.965 1.00 0.00 N ATOM 0 H GLN A 58 0.956 1.793 -12.602 1.00 0.00 H new ATOM 0 HA GLN A 58 2.040 3.500 -14.706 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.266 2.147 -14.533 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.794 3.604 -13.714 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.445 4.958 -15.622 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.597 3.776 -16.389 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.247 5.195 -16.797 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.206 3.874 -17.474 1.00 0.00 H new ATOM 902 N ARG A 59 1.251 5.834 -13.736 1.00 0.00 N ATOM 903 CA ARG A 59 1.291 7.131 -13.072 1.00 0.00 C ATOM 904 C ARG A 59 -0.098 7.537 -12.589 1.00 0.00 C ATOM 905 O ARG A 59 -0.287 7.867 -11.418 1.00 0.00 O ATOM 906 CB ARG A 59 1.845 8.196 -14.020 1.00 0.00 C ATOM 907 CG ARG A 59 1.713 9.614 -13.488 1.00 0.00 C ATOM 908 CD ARG A 59 2.779 10.529 -14.070 1.00 0.00 C ATOM 909 NE ARG A 59 2.385 11.934 -14.013 1.00 0.00 N ATOM 910 CZ ARG A 59 3.251 12.941 -14.015 1.00 0.00 C ATOM 911 NH1 ARG A 59 4.553 12.699 -14.072 1.00 0.00 N ATOM 912 NH2 ARG A 59 2.815 14.193 -13.962 1.00 0.00 N ATOM 0 H ARG A 59 1.101 5.881 -14.744 1.00 0.00 H new ATOM 0 HA ARG A 59 1.948 7.048 -12.206 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.897 7.986 -14.213 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.325 8.126 -14.975 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.725 10.004 -13.731 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.794 9.605 -12.401 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.712 10.392 -13.524 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.972 10.248 -15.105 1.00 0.00 H new ATOM 0 HE ARG A 59 1.390 12.154 -13.969 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.892 11.738 -14.114 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.216 13.474 -14.073 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.814 14.383 -13.920 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.481 14.965 -13.964 1.00 0.00 H new ATOM 926 N SER A 60 -1.066 7.512 -13.499 1.00 0.00 N ATOM 927 CA SER A 60 -2.437 7.882 -13.167 1.00 0.00 C ATOM 928 C SER A 60 -2.905 7.160 -11.907 1.00 0.00 C ATOM 929 O SER A 60 -3.375 7.786 -10.957 1.00 0.00 O ATOM 930 CB SER A 60 -3.373 7.555 -14.333 1.00 0.00 C ATOM 931 OG SER A 60 -3.361 6.167 -14.622 1.00 0.00 O ATOM 0 H SER A 60 -0.927 7.239 -14.472 1.00 0.00 H new ATOM 0 HA SER A 60 -2.462 8.956 -12.980 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.387 7.870 -14.089 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.069 8.116 -15.216 1.00 0.00 H new ATOM 0 HG SER A 60 -3.968 5.983 -15.369 1.00 0.00 H new ATOM 937 N HIS A 61 -2.773 5.837 -11.907 1.00 0.00 N ATOM 938 CA HIS A 61 -3.181 5.028 -10.764 1.00 0.00 C ATOM 939 C HIS A 61 -2.848 5.734 -9.453 1.00 0.00 C ATOM 940 O HIS A 61 -3.590 5.631 -8.475 1.00 0.00 O ATOM 941 CB HIS A 61 -2.497 3.662 -10.809 1.00 0.00 C ATOM 942 CG HIS A 61 -2.647 2.960 -12.124 1.00 0.00 C ATOM 943 ND1 HIS A 61 -1.983 1.792 -12.434 1.00 0.00 N ATOM 944 CD2 HIS A 61 -3.393 3.266 -13.211 1.00 0.00 C ATOM 945 CE1 HIS A 61 -2.312 1.411 -13.655 1.00 0.00 C ATOM 946 NE2 HIS A 61 -3.167 2.289 -14.149 1.00 0.00 N ATOM 0 H HIS A 61 -2.387 5.303 -12.685 1.00 0.00 H new ATOM 0 HA HIS A 61 -4.261 4.887 -10.817 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.436 3.789 -10.593 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.910 3.032 -10.021 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.045 4.120 -13.320 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.945 0.532 -14.163 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -3.590 2.248 -15.076 1.00 0.00 H new ATOM 954 N LEU A 62 -1.729 6.449 -9.439 1.00 0.00 N ATOM 955 CA LEU A 62 -1.297 7.171 -8.247 1.00 0.00 C ATOM 956 C LEU A 62 -2.041 8.496 -8.114 1.00 0.00 C ATOM 957 O LEU A 62 -2.463 8.875 -7.022 1.00 0.00 O ATOM 958 CB LEU A 62 0.211 7.422 -8.298 1.00 0.00 C ATOM 959 CG LEU A 62 0.755 8.443 -7.298 1.00 0.00 C ATOM 960 CD1 LEU A 62 0.685 7.893 -5.882 1.00 0.00 C ATOM 961 CD2 LEU A 62 2.184 8.827 -7.652 1.00 0.00 C ATOM 0 H LEU A 62 -1.104 6.545 -10.239 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.528 6.557 -7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.723 6.474 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.470 7.754 -9.303 1.00 0.00 H new ATOM 0 HG LEU A 62 0.136 9.338 -7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.076 8.633 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.351 7.669 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.280 6.982 -5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.555 9.554 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.816 7.939 -7.630 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.207 9.263 -8.651 1.00 0.00 H new ATOM 973 N ILE A 63 -2.198 9.195 -9.233 1.00 0.00 N ATOM 974 CA ILE A 63 -2.894 10.476 -9.242 1.00 0.00 C ATOM 975 C ILE A 63 -4.196 10.400 -8.452 1.00 0.00 C ATOM 976 O ILE A 63 -4.507 11.289 -7.661 1.00 0.00 O ATOM 977 CB ILE A 63 -3.204 10.938 -10.678 1.00 0.00 C ATOM 978 CG1 ILE A 63 -1.913 11.053 -11.491 1.00 0.00 C ATOM 979 CG2 ILE A 63 -3.944 12.268 -10.658 1.00 0.00 C ATOM 980 CD1 ILE A 63 -0.943 12.076 -10.943 1.00 0.00 C ATOM 0 H ILE A 63 -1.853 8.896 -10.145 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.228 11.200 -8.772 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.844 10.195 -11.153 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.424 10.079 -11.520 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.163 11.315 -12.519 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.156 12.582 -11.680 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.880 12.155 -10.111 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.326 13.021 -10.168 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.051 12.104 -11.569 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.414 13.059 -10.939 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.664 11.804 -9.925 1.00 0.00 H new ATOM 992 N GLY A 64 -4.952 9.328 -8.670 1.00 0.00 N ATOM 993 CA GLY A 64 -6.211 9.154 -7.969 1.00 0.00 C ATOM 994 C GLY A 64 -6.018 8.837 -6.500 1.00 0.00 C ATOM 995 O GLY A 64 -6.592 9.499 -5.634 1.00 0.00 O ATOM 0 H GLY A 64 -4.715 8.578 -9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.806 10.062 -8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.777 8.350 -8.440 1.00 0.00 H new ATOM 999 N HIS A 65 -5.209 7.822 -6.216 1.00 0.00 N ATOM 1000 CA HIS A 65 -4.942 7.417 -4.840 1.00 0.00 C ATOM 1001 C HIS A 65 -4.607 8.628 -3.974 1.00 0.00 C ATOM 1002 O HIS A 65 -5.103 8.760 -2.855 1.00 0.00 O ATOM 1003 CB HIS A 65 -3.794 6.409 -4.796 1.00 0.00 C ATOM 1004 CG HIS A 65 -3.073 6.380 -3.483 1.00 0.00 C ATOM 1005 ND1 HIS A 65 -3.244 5.376 -2.553 1.00 0.00 N ATOM 1006 CD2 HIS A 65 -2.173 7.238 -2.948 1.00 0.00 C ATOM 1007 CE1 HIS A 65 -2.482 5.619 -1.502 1.00 0.00 C ATOM 1008 NE2 HIS A 65 -1.822 6.743 -1.716 1.00 0.00 N ATOM 0 H HIS A 65 -4.726 7.264 -6.921 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.842 6.947 -4.444 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -4.186 5.414 -5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.082 6.646 -5.587 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.862 4.572 -2.660 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.800 8.143 -3.405 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.411 5.003 -0.618 1.00 0.00 H new ATOM 1016 N HIS A 66 -3.761 9.508 -4.498 1.00 0.00 N ATOM 1017 CA HIS A 66 -3.359 10.708 -3.772 1.00 0.00 C ATOM 1018 C HIS A 66 -4.539 11.304 -3.012 1.00 0.00 C ATOM 1019 O HIS A 66 -4.363 11.941 -1.973 1.00 0.00 O ATOM 1020 CB HIS A 66 -2.783 11.745 -4.737 1.00 0.00 C ATOM 1021 CG HIS A 66 -1.302 11.625 -4.931 1.00 0.00 C ATOM 1022 ND1 HIS A 66 -0.279 11.792 -4.062 1.00 0.00 N flip ATOM 1023 CD2 HIS A 66 -0.726 11.297 -6.140 1.00 0.00 C flip ATOM 1024 CE1 HIS A 66 0.885 11.564 -4.754 1.00 0.00 C flip ATOM 1025 NE2 HIS A 66 0.588 11.267 -6.006 1.00 0.00 N flip ATOM 0 H HIS A 66 -3.340 9.413 -5.422 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.591 10.426 -3.052 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.277 11.644 -5.703 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.013 12.743 -4.364 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -0.358 12.041 -3.076 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -1.265 11.096 -7.054 1.00 0.00 H new ATOM 0 HE1 HIS A 66 1.882 11.619 -4.341 1.00 0.00 H new ATOM 1033 N ARG A 67 -5.742 11.094 -3.537 1.00 0.00 N ATOM 1034 CA ARG A 67 -6.951 11.613 -2.909 1.00 0.00 C ATOM 1035 C ARG A 67 -7.473 10.644 -1.852 1.00 0.00 C ATOM 1036 O ARG A 67 -8.676 10.566 -1.605 1.00 0.00 O ATOM 1037 CB ARG A 67 -8.031 11.864 -3.963 1.00 0.00 C ATOM 1038 CG ARG A 67 -7.989 13.263 -4.556 1.00 0.00 C ATOM 1039 CD ARG A 67 -9.336 13.661 -5.140 1.00 0.00 C ATOM 1040 NE ARG A 67 -10.337 13.887 -4.102 1.00 0.00 N ATOM 1041 CZ ARG A 67 -11.437 14.608 -4.287 1.00 0.00 C ATOM 1042 NH1 ARG A 67 -11.676 15.170 -5.464 1.00 0.00 N ATOM 1043 NH2 ARG A 67 -12.302 14.768 -3.293 1.00 0.00 N ATOM 0 H ARG A 67 -5.905 10.568 -4.396 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.702 12.556 -2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.920 11.135 -4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.010 11.698 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.700 13.978 -3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.227 13.307 -5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.220 14.567 -5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.684 12.879 -5.815 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.183 13.468 -3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.014 15.049 -6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.522 15.723 -5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.122 14.337 -2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.146 15.322 -3.436 1.00 0.00 H new ATOM 1057 N VAL A 68 -6.558 9.907 -1.230 1.00 0.00 N ATOM 1058 CA VAL A 68 -6.925 8.943 -0.199 1.00 0.00 C ATOM 1059 C VAL A 68 -6.613 9.482 1.193 1.00 0.00 C ATOM 1060 O VAL A 68 -7.297 9.157 2.164 1.00 0.00 O ATOM 1061 CB VAL A 68 -6.191 7.604 -0.395 1.00 0.00 C ATOM 1062 CG1 VAL A 68 -4.720 7.742 -0.033 1.00 0.00 C ATOM 1063 CG2 VAL A 68 -6.851 6.509 0.429 1.00 0.00 C ATOM 0 H VAL A 68 -5.558 9.959 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.998 8.777 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.256 7.325 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.218 6.785 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.257 8.495 -0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.629 8.045 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.319 5.570 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.819 6.779 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.888 6.393 0.115 1.00 0.00 H new ATOM 1073 N HIS A 69 -5.575 10.308 1.283 1.00 0.00 N ATOM 1074 CA HIS A 69 -5.172 10.894 2.556 1.00 0.00 C ATOM 1075 C HIS A 69 -5.784 12.280 2.735 1.00 0.00 C ATOM 1076 O HIS A 69 -5.108 13.296 2.569 1.00 0.00 O ATOM 1077 CB HIS A 69 -3.648 10.982 2.642 1.00 0.00 C ATOM 1078 CG HIS A 69 -2.951 9.728 2.210 1.00 0.00 C ATOM 1079 ND1 HIS A 69 -3.078 8.529 2.878 1.00 0.00 N ATOM 1080 CD2 HIS A 69 -2.118 9.492 1.170 1.00 0.00 C ATOM 1081 CE1 HIS A 69 -2.351 7.609 2.269 1.00 0.00 C ATOM 1082 NE2 HIS A 69 -1.759 8.168 1.229 1.00 0.00 N ATOM 0 H HIS A 69 -4.998 10.586 0.489 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.537 10.249 3.355 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.304 11.811 2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.363 11.211 3.669 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -3.645 8.376 3.712 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.796 10.211 0.431 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.257 6.576 2.570 1.00 0.00 H new ATOM 1090 N THR A 70 -7.070 12.315 3.073 1.00 0.00 N ATOM 1091 CA THR A 70 -7.773 13.576 3.273 1.00 0.00 C ATOM 1092 C THR A 70 -7.261 14.302 4.511 1.00 0.00 C ATOM 1093 O THR A 70 -7.059 15.515 4.493 1.00 0.00 O ATOM 1094 CB THR A 70 -9.292 13.356 3.411 1.00 0.00 C ATOM 1095 OG1 THR A 70 -9.957 14.614 3.568 1.00 0.00 O ATOM 1096 CG2 THR A 70 -9.602 12.461 4.601 1.00 0.00 C ATOM 0 H THR A 70 -7.645 11.484 3.214 1.00 0.00 H new ATOM 0 HA THR A 70 -7.580 14.188 2.392 1.00 0.00 H new ATOM 0 HB THR A 70 -9.650 12.867 2.505 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.922 14.466 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.680 12.320 4.679 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.118 11.494 4.465 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.230 12.927 5.513 1.00 0.00 H new ATOM 1104 N GLY A 71 -7.053 13.550 5.588 1.00 0.00 N ATOM 1105 CA GLY A 71 -6.565 14.140 6.821 1.00 0.00 C ATOM 1106 C GLY A 71 -5.595 13.234 7.553 1.00 0.00 C ATOM 1107 O GLY A 71 -5.935 12.105 7.907 1.00 0.00 O ATOM 0 H GLY A 71 -7.214 12.544 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.074 15.087 6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.410 14.364 7.472 1.00 0.00 H new ATOM 1111 N SER A 72 -4.382 13.729 7.780 1.00 0.00 N ATOM 1112 CA SER A 72 -3.357 12.954 8.469 1.00 0.00 C ATOM 1113 C SER A 72 -3.589 12.968 9.977 1.00 0.00 C ATOM 1114 O SER A 72 -3.566 11.925 10.630 1.00 0.00 O ATOM 1115 CB SER A 72 -1.968 13.508 8.150 1.00 0.00 C ATOM 1116 OG SER A 72 -1.648 13.326 6.782 1.00 0.00 O ATOM 0 H SER A 72 -4.085 14.663 7.497 1.00 0.00 H new ATOM 0 HA SER A 72 -3.418 11.924 8.119 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.931 14.569 8.397 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.223 13.010 8.770 1.00 0.00 H new ATOM 0 HG SER A 72 -0.756 13.690 6.603 1.00 0.00 H new ATOM 1122 N GLY A 73 -3.812 14.159 10.525 1.00 0.00 N ATOM 1123 CA GLY A 73 -4.044 14.288 11.951 1.00 0.00 C ATOM 1124 C GLY A 73 -5.444 14.774 12.269 1.00 0.00 C ATOM 1125 O GLY A 73 -6.398 14.507 11.538 1.00 0.00 O ATOM 0 H GLY A 73 -3.836 15.037 10.006 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.880 13.323 12.431 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.317 14.982 12.373 1.00 0.00 H new ATOM 1129 N PRO A 74 -5.582 15.504 13.386 1.00 0.00 N ATOM 1130 CA PRO A 74 -6.872 16.043 13.825 1.00 0.00 C ATOM 1131 C PRO A 74 -7.374 17.159 12.916 1.00 0.00 C ATOM 1132 O PRO A 74 -6.858 18.276 12.946 1.00 0.00 O ATOM 1133 CB PRO A 74 -6.572 16.587 15.224 1.00 0.00 C ATOM 1134 CG PRO A 74 -5.113 16.888 15.208 1.00 0.00 C ATOM 1135 CD PRO A 74 -4.488 15.861 14.305 1.00 0.00 C ATOM 0 HA PRO A 74 -7.657 15.287 13.806 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.158 17.481 15.435 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.817 15.856 15.994 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.927 17.897 14.839 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.692 16.833 16.212 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.629 16.266 13.769 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.135 14.995 14.865 1.00 0.00 H new ATOM 1143 N SER A 75 -8.384 16.850 12.108 1.00 0.00 N ATOM 1144 CA SER A 75 -8.953 17.827 11.188 1.00 0.00 C ATOM 1145 C SER A 75 -9.509 19.028 11.946 1.00 0.00 C ATOM 1146 O SER A 75 -9.284 20.176 11.563 1.00 0.00 O ATOM 1147 CB SER A 75 -10.059 17.184 10.348 1.00 0.00 C ATOM 1148 OG SER A 75 -10.183 17.825 9.091 1.00 0.00 O ATOM 0 H SER A 75 -8.825 15.931 12.072 1.00 0.00 H new ATOM 0 HA SER A 75 -8.158 18.173 10.527 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.839 16.127 10.200 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.007 17.241 10.884 1.00 0.00 H new ATOM 0 HG SER A 75 -10.895 17.394 8.573 1.00 0.00 H new ATOM 1154 N SER A 76 -10.236 18.755 13.024 1.00 0.00 N ATOM 1155 CA SER A 76 -10.828 19.812 13.836 1.00 0.00 C ATOM 1156 C SER A 76 -11.599 20.799 12.964 1.00 0.00 C ATOM 1157 O SER A 76 -11.518 22.011 13.157 1.00 0.00 O ATOM 1158 CB SER A 76 -9.743 20.550 14.621 1.00 0.00 C ATOM 1159 OG SER A 76 -9.049 19.666 15.486 1.00 0.00 O ATOM 0 H SER A 76 -10.430 17.810 13.356 1.00 0.00 H new ATOM 0 HA SER A 76 -11.524 19.351 14.537 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.040 21.013 13.929 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.194 21.354 15.203 1.00 0.00 H new ATOM 0 HG SER A 76 -8.359 20.161 15.975 1.00 0.00 H new ATOM 1165 N GLY A 77 -12.349 20.268 12.002 1.00 0.00 N ATOM 1166 CA GLY A 77 -13.124 21.115 11.114 1.00 0.00 C ATOM 1167 C GLY A 77 -12.648 21.037 9.677 1.00 0.00 C ATOM 1168 O GLY A 77 -13.470 21.139 8.767 1.00 0.00 O ATOM 0 H GLY A 77 -12.433 19.268 11.822 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.173 20.823 11.162 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.064 22.148 11.458 1.00 0.00 H new TER 1172 GLY A 77 HETATM 1173 ZN ZN A 201 9.833 4.972 5.915 1.00 0.00 ZN HETATM 1174 ZN ZN A 401 -0.622 7.095 -0.068 1.00 0.00 ZN