USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 528 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 54 HIS HE2 : A 54 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 56 LYS NZ :NH3+ -153:sc= 0.996 (180deg=-0.478) USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 15 HIS : no HE2:sc= -6.07! C(o=-6.1!,f=-13!) USER MOD Set 2.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 39 SER OG : rot -145:sc= 0.0507 USER MOD Set 4.1: A 13 TYR OH : rot -6:sc= 1.25 USER MOD Set 4.2: A 68 HIS :FLIP no HE2:sc= 0.942 F(o=-0.88,f=2.2) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0483 (180deg=0) USER MOD Single : A 2 SER OG : rot -3:sc= 0.661 USER MOD Single : A 3 SER OG : rot 35:sc= 0.703 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 48:sc= 0.703 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.3) USER MOD Single : A 24 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-3.4!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 27 GLN : amide:sc= -1.01 K(o=-1,f=-3.5!) USER MOD Single : A 37 GLN : amide:sc= -4.4! C(o=-4.4!,f=-4.4!) USER MOD Single : A 45 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.0029) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0023 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 163:sc= -0.014 (180deg=-0.46) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00127) USER MOD Single : A 66 SER OG : rot -14:sc= -0.0804 USER MOD Single : A 70 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.24) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 7:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.163 -12.005 8.594 1.00 0.00 N ATOM 2 CA GLY A 1 19.151 -12.873 9.167 1.00 0.00 C ATOM 3 C GLY A 1 18.682 -12.399 10.527 1.00 0.00 C ATOM 4 O GLY A 1 18.787 -11.215 10.850 1.00 0.00 O ATOM 0 H1 GLY A 1 19.989 -11.894 7.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.123 -11.074 9.055 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.103 -12.424 8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.298 -12.927 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.551 -13.883 9.256 1.00 0.00 H new ATOM 8 N SER A 2 18.160 -13.323 11.327 1.00 0.00 N ATOM 9 CA SER A 2 17.667 -12.992 12.659 1.00 0.00 C ATOM 10 C SER A 2 16.875 -11.688 12.636 1.00 0.00 C ATOM 11 O SER A 2 17.013 -10.849 13.526 1.00 0.00 O ATOM 12 CB SER A 2 18.833 -12.876 13.643 1.00 0.00 C ATOM 13 OG SER A 2 19.653 -11.763 13.334 1.00 0.00 O ATOM 0 H SER A 2 18.067 -14.307 11.076 1.00 0.00 H new ATOM 0 HA SER A 2 17.005 -13.794 12.984 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.448 -12.777 14.658 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.428 -13.789 13.616 1.00 0.00 H new ATOM 0 HG SER A 2 19.321 -11.328 12.521 1.00 0.00 H new ATOM 19 N SER A 3 16.045 -11.525 11.611 1.00 0.00 N ATOM 20 CA SER A 3 15.233 -10.323 11.468 1.00 0.00 C ATOM 21 C SER A 3 14.066 -10.335 12.451 1.00 0.00 C ATOM 22 O SER A 3 13.139 -11.133 12.321 1.00 0.00 O ATOM 23 CB SER A 3 14.707 -10.203 10.037 1.00 0.00 C ATOM 24 OG SER A 3 13.913 -11.325 9.690 1.00 0.00 O ATOM 0 H SER A 3 15.917 -12.211 10.867 1.00 0.00 H new ATOM 0 HA SER A 3 15.863 -9.462 11.689 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.117 -9.292 9.938 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.544 -10.118 9.344 1.00 0.00 H new ATOM 0 HG SER A 3 13.412 -11.627 10.476 1.00 0.00 H new ATOM 30 N GLY A 4 14.120 -9.444 13.436 1.00 0.00 N ATOM 31 CA GLY A 4 13.063 -9.368 14.428 1.00 0.00 C ATOM 32 C GLY A 4 11.855 -8.601 13.930 1.00 0.00 C ATOM 33 O GLY A 4 11.244 -8.973 12.928 1.00 0.00 O ATOM 0 H GLY A 4 14.877 -8.773 13.565 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.759 -10.376 14.708 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.448 -8.889 15.328 1.00 0.00 H new ATOM 37 N SER A 5 11.507 -7.527 14.632 1.00 0.00 N ATOM 38 CA SER A 5 10.360 -6.707 14.258 1.00 0.00 C ATOM 39 C SER A 5 10.813 -5.396 13.623 1.00 0.00 C ATOM 40 O SER A 5 10.265 -4.332 13.911 1.00 0.00 O ATOM 41 CB SER A 5 9.491 -6.420 15.484 1.00 0.00 C ATOM 42 OG SER A 5 8.844 -7.596 15.937 1.00 0.00 O ATOM 0 H SER A 5 12.003 -7.204 15.463 1.00 0.00 H new ATOM 0 HA SER A 5 9.772 -7.260 13.526 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.108 -6.010 16.283 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.746 -5.664 15.237 1.00 0.00 H new ATOM 0 HG SER A 5 8.296 -7.386 16.722 1.00 0.00 H new ATOM 48 N SER A 6 11.817 -5.481 12.756 1.00 0.00 N ATOM 49 CA SER A 6 12.347 -4.302 12.082 1.00 0.00 C ATOM 50 C SER A 6 11.972 -4.307 10.603 1.00 0.00 C ATOM 51 O SER A 6 12.693 -4.854 9.770 1.00 0.00 O ATOM 52 CB SER A 6 13.869 -4.243 12.234 1.00 0.00 C ATOM 53 OG SER A 6 14.478 -5.414 11.720 1.00 0.00 O ATOM 0 H SER A 6 12.280 -6.354 12.504 1.00 0.00 H new ATOM 0 HA SER A 6 11.908 -3.420 12.547 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.256 -3.368 11.711 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.128 -4.126 13.286 1.00 0.00 H new ATOM 0 HG SER A 6 14.108 -5.614 10.835 1.00 0.00 H new ATOM 59 N GLY A 7 10.837 -3.692 10.285 1.00 0.00 N ATOM 60 CA GLY A 7 10.384 -3.637 8.908 1.00 0.00 C ATOM 61 C GLY A 7 8.889 -3.415 8.797 1.00 0.00 C ATOM 62 O GLY A 7 8.409 -2.853 7.813 1.00 0.00 O ATOM 0 H GLY A 7 10.223 -3.231 10.957 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.907 -2.834 8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.648 -4.567 8.405 1.00 0.00 H new ATOM 66 N SER A 8 8.150 -3.859 9.809 1.00 0.00 N ATOM 67 CA SER A 8 6.699 -3.711 9.819 1.00 0.00 C ATOM 68 C SER A 8 6.297 -2.331 10.331 1.00 0.00 C ATOM 69 O SER A 8 5.283 -2.182 11.012 1.00 0.00 O ATOM 70 CB SER A 8 6.060 -4.796 10.688 1.00 0.00 C ATOM 71 OG SER A 8 6.314 -4.564 12.062 1.00 0.00 O ATOM 0 H SER A 8 8.532 -4.324 10.632 1.00 0.00 H new ATOM 0 HA SER A 8 6.341 -3.818 8.795 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.984 -4.820 10.513 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.451 -5.772 10.402 1.00 0.00 H new ATOM 0 HG SER A 8 5.894 -5.270 12.596 1.00 0.00 H new ATOM 77 N GLU A 9 7.101 -1.326 9.998 1.00 0.00 N ATOM 78 CA GLU A 9 6.830 0.042 10.425 1.00 0.00 C ATOM 79 C GLU A 9 5.820 0.711 9.498 1.00 0.00 C ATOM 80 O GLU A 9 4.953 1.462 9.945 1.00 0.00 O ATOM 81 CB GLU A 9 8.125 0.855 10.459 1.00 0.00 C ATOM 82 CG GLU A 9 8.834 0.815 11.803 1.00 0.00 C ATOM 83 CD GLU A 9 10.201 1.469 11.761 1.00 0.00 C ATOM 84 OE1 GLU A 9 10.771 1.582 10.655 1.00 0.00 O ATOM 85 OE2 GLU A 9 10.702 1.869 12.833 1.00 0.00 O ATOM 0 H GLU A 9 7.944 -1.433 9.434 1.00 0.00 H new ATOM 0 HA GLU A 9 6.407 0.005 11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.800 0.479 9.690 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.900 1.891 10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.218 1.317 12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.941 -0.222 12.122 1.00 0.00 H new ATOM 92 N ALA A 10 5.940 0.434 8.204 1.00 0.00 N ATOM 93 CA ALA A 10 5.037 1.008 7.213 1.00 0.00 C ATOM 94 C ALA A 10 3.582 0.856 7.642 1.00 0.00 C ATOM 95 O ALA A 10 2.747 1.712 7.352 1.00 0.00 O ATOM 96 CB ALA A 10 5.260 0.356 5.856 1.00 0.00 C ATOM 0 H ALA A 10 6.653 -0.184 7.817 1.00 0.00 H new ATOM 0 HA ALA A 10 5.255 2.073 7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.579 0.794 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.289 0.521 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.071 -0.715 5.931 1.00 0.00 H new ATOM 102 N TRP A 11 3.286 -0.239 8.333 1.00 0.00 N ATOM 103 CA TRP A 11 1.930 -0.503 8.802 1.00 0.00 C ATOM 104 C TRP A 11 1.385 0.684 9.588 1.00 0.00 C ATOM 105 O TRP A 11 0.185 0.957 9.564 1.00 0.00 O ATOM 106 CB TRP A 11 1.905 -1.761 9.672 1.00 0.00 C ATOM 107 CG TRP A 11 1.745 -3.025 8.883 1.00 0.00 C ATOM 108 CD1 TRP A 11 2.639 -4.054 8.794 1.00 0.00 C ATOM 109 CD2 TRP A 11 0.625 -3.393 8.070 1.00 0.00 C ATOM 110 NE1 TRP A 11 2.141 -5.039 7.975 1.00 0.00 N ATOM 111 CE2 TRP A 11 0.907 -4.658 7.519 1.00 0.00 C ATOM 112 CE3 TRP A 11 -0.590 -2.777 7.756 1.00 0.00 C ATOM 113 CZ2 TRP A 11 0.019 -5.316 6.672 1.00 0.00 C ATOM 114 CZ3 TRP A 11 -1.470 -3.431 6.915 1.00 0.00 C ATOM 115 CH2 TRP A 11 -1.163 -4.690 6.382 1.00 0.00 C ATOM 0 H TRP A 11 3.966 -0.958 8.581 1.00 0.00 H new ATOM 0 HA TRP A 11 1.295 -0.660 7.930 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.829 -1.815 10.247 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.087 -1.682 10.389 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.596 -4.088 9.293 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.614 -5.913 7.744 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.836 -1.808 8.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.255 -6.286 6.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.411 -2.964 6.664 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.873 -5.176 5.729 1.00 0.00 H new ATOM 126 N GLU A 12 2.274 1.386 10.284 1.00 0.00 N ATOM 127 CA GLU A 12 1.880 2.544 11.078 1.00 0.00 C ATOM 128 C GLU A 12 1.175 3.584 10.211 1.00 0.00 C ATOM 129 O GLU A 12 0.535 4.503 10.721 1.00 0.00 O ATOM 130 CB GLU A 12 3.103 3.170 11.751 1.00 0.00 C ATOM 131 CG GLU A 12 3.829 2.224 12.693 1.00 0.00 C ATOM 132 CD GLU A 12 4.851 2.935 13.560 1.00 0.00 C ATOM 133 OE1 GLU A 12 4.582 4.083 13.972 1.00 0.00 O ATOM 134 OE2 GLU A 12 5.918 2.344 13.826 1.00 0.00 O ATOM 0 H GLU A 12 3.271 1.173 10.314 1.00 0.00 H new ATOM 0 HA GLU A 12 1.185 2.205 11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.798 3.508 10.982 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.789 4.053 12.307 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.101 1.724 13.332 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.328 1.449 12.111 1.00 0.00 H new ATOM 141 N TYR A 13 1.300 3.432 8.897 1.00 0.00 N ATOM 142 CA TYR A 13 0.678 4.358 7.958 1.00 0.00 C ATOM 143 C TYR A 13 -0.474 3.689 7.214 1.00 0.00 C ATOM 144 O TYR A 13 -0.900 4.156 6.157 1.00 0.00 O ATOM 145 CB TYR A 13 1.714 4.875 6.958 1.00 0.00 C ATOM 146 CG TYR A 13 2.974 5.400 7.609 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.052 4.560 7.860 1.00 0.00 C ATOM 148 CD2 TYR A 13 3.087 6.737 7.972 1.00 0.00 C ATOM 149 CE1 TYR A 13 5.204 5.035 8.454 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.237 7.221 8.565 1.00 0.00 C ATOM 151 CZ TYR A 13 5.292 6.366 8.805 1.00 0.00 C ATOM 152 OH TYR A 13 6.439 6.843 9.397 1.00 0.00 O ATOM 0 H TYR A 13 1.826 2.676 8.458 1.00 0.00 H new ATOM 0 HA TYR A 13 0.279 5.199 8.526 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.978 4.070 6.272 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.266 5.669 6.361 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.987 3.517 7.586 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.262 7.409 7.787 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.032 4.368 8.643 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.309 8.263 8.839 1.00 0.00 H new ATOM 0 HH TYR A 13 7.045 6.096 9.584 1.00 0.00 H new ATOM 162 N PHE A 14 -0.974 2.593 7.774 1.00 0.00 N ATOM 163 CA PHE A 14 -2.076 1.858 7.165 1.00 0.00 C ATOM 164 C PHE A 14 -2.934 1.182 8.231 1.00 0.00 C ATOM 165 O PHE A 14 -2.459 0.880 9.326 1.00 0.00 O ATOM 166 CB PHE A 14 -1.540 0.811 6.187 1.00 0.00 C ATOM 167 CG PHE A 14 -0.805 1.403 5.018 1.00 0.00 C ATOM 168 CD1 PHE A 14 -1.486 1.766 3.867 1.00 0.00 C ATOM 169 CD2 PHE A 14 0.565 1.599 5.071 1.00 0.00 C ATOM 170 CE1 PHE A 14 -0.812 2.310 2.790 1.00 0.00 C ATOM 171 CE2 PHE A 14 1.245 2.143 3.998 1.00 0.00 C ATOM 172 CZ PHE A 14 0.555 2.500 2.856 1.00 0.00 C ATOM 0 H PHE A 14 -0.634 2.194 8.649 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.697 2.569 6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.872 0.135 6.721 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.372 0.211 5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.555 1.622 3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.109 1.323 5.962 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.353 2.586 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.314 2.289 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.083 2.927 2.016 1.00 0.00 H new ATOM 182 N HIS A 15 -4.201 0.949 7.903 1.00 0.00 N ATOM 183 CA HIS A 15 -5.126 0.309 8.831 1.00 0.00 C ATOM 184 C HIS A 15 -6.005 -0.707 8.108 1.00 0.00 C ATOM 185 O HIS A 15 -6.604 -0.403 7.076 1.00 0.00 O ATOM 186 CB HIS A 15 -5.999 1.359 9.518 1.00 0.00 C ATOM 187 CG HIS A 15 -7.302 1.604 8.821 1.00 0.00 C ATOM 188 ND1 HIS A 15 -8.253 0.622 8.636 1.00 0.00 N ATOM 189 CD2 HIS A 15 -7.810 2.728 8.264 1.00 0.00 C ATOM 190 CE1 HIS A 15 -9.289 1.131 7.994 1.00 0.00 C ATOM 191 NE2 HIS A 15 -9.046 2.408 7.756 1.00 0.00 N ATOM 0 H HIS A 15 -4.610 1.194 7.001 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.540 -0.216 9.586 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.198 1.041 10.541 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.446 2.297 9.577 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -8.169 -0.346 8.946 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.333 3.696 8.226 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.183 0.595 7.712 1.00 0.00 H new ATOM 199 N LEU A 16 -6.077 -1.915 8.656 1.00 0.00 N ATOM 200 CA LEU A 16 -6.883 -2.977 8.063 1.00 0.00 C ATOM 201 C LEU A 16 -8.372 -2.684 8.221 1.00 0.00 C ATOM 202 O LEU A 16 -8.792 -2.059 9.194 1.00 0.00 O ATOM 203 CB LEU A 16 -6.545 -4.322 8.710 1.00 0.00 C ATOM 204 CG LEU A 16 -5.147 -4.870 8.425 1.00 0.00 C ATOM 205 CD1 LEU A 16 -4.842 -6.052 9.334 1.00 0.00 C ATOM 206 CD2 LEU A 16 -5.018 -5.272 6.963 1.00 0.00 C ATOM 0 H LEU A 16 -5.587 -2.184 9.510 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.652 -3.024 6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.662 -4.223 9.789 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.277 -5.057 8.376 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.421 -4.083 8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.843 -6.429 9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.891 -5.733 10.375 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.573 -6.842 9.162 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.016 -5.660 6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.753 -6.042 6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.192 -4.402 6.330 1.00 0.00 H new ATOM 218 N ALA A 17 -9.164 -3.141 7.257 1.00 0.00 N ATOM 219 CA ALA A 17 -10.607 -2.932 7.291 1.00 0.00 C ATOM 220 C ALA A 17 -11.315 -4.098 7.972 1.00 0.00 C ATOM 221 O ALA A 17 -10.921 -5.257 7.841 1.00 0.00 O ATOM 222 CB ALA A 17 -11.145 -2.736 5.881 1.00 0.00 C ATOM 0 H ALA A 17 -8.831 -3.658 6.443 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.805 -2.032 7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.223 -2.581 5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.670 -1.866 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.928 -3.621 5.282 1.00 0.00 H new ATOM 228 N PRO A 18 -12.385 -3.787 8.718 1.00 0.00 N ATOM 229 CA PRO A 18 -13.171 -4.796 9.435 1.00 0.00 C ATOM 230 C PRO A 18 -13.967 -5.690 8.490 1.00 0.00 C ATOM 231 O PRO A 18 -14.297 -5.291 7.374 1.00 0.00 O ATOM 232 CB PRO A 18 -14.115 -3.961 10.302 1.00 0.00 C ATOM 233 CG PRO A 18 -14.240 -2.662 9.583 1.00 0.00 C ATOM 234 CD PRO A 18 -12.912 -2.427 8.919 1.00 0.00 C ATOM 0 HA PRO A 18 -12.538 -5.476 10.004 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.084 -4.447 10.413 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.712 -3.821 11.305 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.043 -2.699 8.847 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.479 -1.854 10.275 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -13.024 -1.896 7.974 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.250 -1.828 9.545 1.00 0.00 H new ATOM 242 N ALA A 19 -14.272 -6.901 8.944 1.00 0.00 N ATOM 243 CA ALA A 19 -15.031 -7.850 8.140 1.00 0.00 C ATOM 244 C ALA A 19 -16.228 -8.392 8.914 1.00 0.00 C ATOM 245 O ALA A 19 -16.133 -8.668 10.110 1.00 0.00 O ATOM 246 CB ALA A 19 -14.135 -8.992 7.685 1.00 0.00 C ATOM 0 H ALA A 19 -14.005 -7.248 9.865 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.406 -7.325 7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.715 -9.693 7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.315 -8.595 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.732 -9.507 8.557 1.00 0.00 H new ATOM 252 N ARG A 20 -17.355 -8.540 8.225 1.00 0.00 N ATOM 253 CA ARG A 20 -18.571 -9.046 8.849 1.00 0.00 C ATOM 254 C ARG A 20 -19.162 -10.194 8.036 1.00 0.00 C ATOM 255 O ARG A 20 -19.378 -11.289 8.555 1.00 0.00 O ATOM 256 CB ARG A 20 -19.602 -7.924 8.991 1.00 0.00 C ATOM 257 CG ARG A 20 -19.258 -6.915 10.074 1.00 0.00 C ATOM 258 CD ARG A 20 -20.493 -6.167 10.551 1.00 0.00 C ATOM 259 NE ARG A 20 -21.323 -6.986 11.432 1.00 0.00 N ATOM 260 CZ ARG A 20 -22.188 -6.481 12.304 1.00 0.00 C ATOM 261 NH1 ARG A 20 -22.338 -5.168 12.411 1.00 0.00 N ATOM 262 NH2 ARG A 20 -22.907 -7.291 13.071 1.00 0.00 N ATOM 0 H ARG A 20 -17.451 -8.317 7.234 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.312 -9.420 9.840 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -19.694 -7.404 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -20.576 -8.362 9.210 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.794 -7.428 10.916 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.526 -6.204 9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.188 -5.263 11.078 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.081 -5.851 9.689 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.233 -8.000 11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.788 -4.542 11.822 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -23.003 -4.784 13.082 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.795 -8.302 12.991 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.571 -6.903 13.741 1.00 0.00 H new ATOM 276 N ALA A 21 -19.422 -9.935 6.758 1.00 0.00 N ATOM 277 CA ALA A 21 -19.986 -10.947 5.873 1.00 0.00 C ATOM 278 C ALA A 21 -19.207 -12.254 5.966 1.00 0.00 C ATOM 279 O ALA A 21 -19.792 -13.333 6.045 1.00 0.00 O ATOM 280 CB ALA A 21 -20.004 -10.442 4.438 1.00 0.00 C ATOM 0 H ALA A 21 -19.251 -9.033 6.313 1.00 0.00 H new ATOM 0 HA ALA A 21 -21.010 -11.142 6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -20.428 -11.208 3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.611 -9.539 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -18.986 -10.217 4.119 1.00 0.00 H new ATOM 286 N GLY A 22 -17.881 -12.150 5.957 1.00 0.00 N ATOM 287 CA GLY A 22 -17.043 -13.332 6.040 1.00 0.00 C ATOM 288 C GLY A 22 -15.835 -13.251 5.128 1.00 0.00 C ATOM 289 O GLY A 22 -15.891 -13.672 3.972 1.00 0.00 O ATOM 0 H GLY A 22 -17.373 -11.268 5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.709 -13.466 7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.633 -14.211 5.780 1.00 0.00 H new ATOM 293 N HIS A 23 -14.739 -12.708 5.648 1.00 0.00 N ATOM 294 CA HIS A 23 -13.511 -12.573 4.872 1.00 0.00 C ATOM 295 C HIS A 23 -12.374 -12.044 5.741 1.00 0.00 C ATOM 296 O HIS A 23 -12.496 -10.991 6.368 1.00 0.00 O ATOM 297 CB HIS A 23 -13.735 -11.639 3.682 1.00 0.00 C ATOM 298 CG HIS A 23 -14.254 -10.289 4.070 1.00 0.00 C ATOM 299 ND1 HIS A 23 -13.448 -9.175 4.176 1.00 0.00 N ATOM 300 CD2 HIS A 23 -15.506 -9.876 4.376 1.00 0.00 C ATOM 301 CE1 HIS A 23 -14.182 -8.136 4.532 1.00 0.00 C ATOM 302 NE2 HIS A 23 -15.435 -8.534 4.659 1.00 0.00 N ATOM 0 H HIS A 23 -14.676 -12.354 6.603 1.00 0.00 H new ATOM 0 HA HIS A 23 -13.234 -13.560 4.503 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.795 -11.517 3.144 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -14.438 -12.105 2.992 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -16.396 -10.488 4.394 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -13.819 -7.131 4.692 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -16.222 -7.941 4.924 1.00 0.00 H new ATOM 310 N HIS A 24 -11.269 -12.782 5.775 1.00 0.00 N ATOM 311 CA HIS A 24 -10.110 -12.387 6.568 1.00 0.00 C ATOM 312 C HIS A 24 -9.905 -10.876 6.516 1.00 0.00 C ATOM 313 O HIS A 24 -10.060 -10.241 5.473 1.00 0.00 O ATOM 314 CB HIS A 24 -8.855 -13.102 6.067 1.00 0.00 C ATOM 315 CG HIS A 24 -7.846 -13.365 7.142 1.00 0.00 C ATOM 316 ND1 HIS A 24 -6.533 -12.952 7.059 1.00 0.00 N ATOM 317 CD2 HIS A 24 -7.964 -14.003 8.330 1.00 0.00 C ATOM 318 CE1 HIS A 24 -5.887 -13.325 8.149 1.00 0.00 C ATOM 319 NE2 HIS A 24 -6.733 -13.965 8.936 1.00 0.00 N ATOM 0 H HIS A 24 -11.152 -13.656 5.263 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.294 -12.675 7.603 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.144 -14.049 5.612 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.392 -12.500 5.285 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.860 -14.457 8.727 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -4.845 -13.138 8.361 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.508 -14.366 9.846 1.00 0.00 H new ATOM 327 N PRO A 25 -9.550 -10.286 7.667 1.00 0.00 N ATOM 328 CA PRO A 25 -9.316 -8.844 7.777 1.00 0.00 C ATOM 329 C PRO A 25 -8.052 -8.403 7.048 1.00 0.00 C ATOM 330 O PRO A 25 -7.679 -7.232 7.085 1.00 0.00 O ATOM 331 CB PRO A 25 -9.168 -8.623 9.285 1.00 0.00 C ATOM 332 CG PRO A 25 -8.706 -9.936 9.816 1.00 0.00 C ATOM 333 CD PRO A 25 -9.348 -10.983 8.949 1.00 0.00 C ATOM 0 HA PRO A 25 -10.121 -8.265 7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.448 -7.833 9.501 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.114 -8.324 9.736 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.619 -10.011 9.779 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.998 -10.060 10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.708 -11.858 8.834 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.291 -11.331 9.370 1.00 0.00 H new ATOM 341 N ASN A 26 -7.397 -9.350 6.384 1.00 0.00 N ATOM 342 CA ASN A 26 -6.174 -9.059 5.645 1.00 0.00 C ATOM 343 C ASN A 26 -6.459 -8.925 4.152 1.00 0.00 C ATOM 344 O ASN A 26 -5.670 -9.367 3.318 1.00 0.00 O ATOM 345 CB ASN A 26 -5.137 -10.160 5.880 1.00 0.00 C ATOM 346 CG ASN A 26 -3.715 -9.652 5.746 1.00 0.00 C ATOM 347 OD1 ASN A 26 -3.184 -9.545 4.641 1.00 0.00 O ATOM 348 ND2 ASN A 26 -3.090 -9.337 6.875 1.00 0.00 N ATOM 0 H ASN A 26 -7.693 -10.325 6.343 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.777 -8.111 6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.277 -10.581 6.876 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.300 -10.968 5.166 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.131 -8.991 6.848 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.569 -9.441 7.769 1.00 0.00 H new ATOM 355 N GLN A 27 -7.591 -8.310 3.825 1.00 0.00 N ATOM 356 CA GLN A 27 -7.980 -8.117 2.433 1.00 0.00 C ATOM 357 C GLN A 27 -7.282 -6.900 1.836 1.00 0.00 C ATOM 358 O GLN A 27 -6.530 -7.015 0.868 1.00 0.00 O ATOM 359 CB GLN A 27 -9.497 -7.955 2.323 1.00 0.00 C ATOM 360 CG GLN A 27 -10.060 -8.391 0.979 1.00 0.00 C ATOM 361 CD GLN A 27 -9.961 -9.888 0.763 1.00 0.00 C ATOM 362 OE1 GLN A 27 -8.866 -10.441 0.660 1.00 0.00 O ATOM 363 NE2 GLN A 27 -11.108 -10.553 0.693 1.00 0.00 N ATOM 0 H GLN A 27 -8.254 -7.937 4.504 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.674 -9.000 1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.974 -8.535 3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.756 -6.910 2.494 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.104 -8.086 0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.525 -7.876 0.181 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.993 -10.054 0.784 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.104 -11.563 0.549 1.00 0.00 H new ATOM 372 N TYR A 28 -7.536 -5.734 2.419 1.00 0.00 N ATOM 373 CA TYR A 28 -6.934 -4.494 1.943 1.00 0.00 C ATOM 374 C TYR A 28 -6.508 -3.611 3.112 1.00 0.00 C ATOM 375 O TYR A 28 -7.066 -3.698 4.205 1.00 0.00 O ATOM 376 CB TYR A 28 -7.917 -3.736 1.049 1.00 0.00 C ATOM 377 CG TYR A 28 -7.870 -4.162 -0.401 1.00 0.00 C ATOM 378 CD1 TYR A 28 -8.234 -5.448 -0.779 1.00 0.00 C ATOM 379 CD2 TYR A 28 -7.462 -3.278 -1.392 1.00 0.00 C ATOM 380 CE1 TYR A 28 -8.191 -5.842 -2.102 1.00 0.00 C ATOM 381 CE2 TYR A 28 -7.418 -3.663 -2.718 1.00 0.00 C ATOM 382 CZ TYR A 28 -7.783 -4.946 -3.068 1.00 0.00 C ATOM 383 OH TYR A 28 -7.741 -5.335 -4.388 1.00 0.00 O ATOM 0 H TYR A 28 -8.155 -5.621 3.222 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.048 -4.750 1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.928 -3.882 1.429 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.704 -2.669 1.112 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.556 -6.152 -0.026 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.174 -2.273 -1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.475 -6.846 -2.379 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.100 -2.963 -3.476 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.433 -4.586 -4.940 1.00 0.00 H new ATOM 393 N ALA A 29 -5.514 -2.762 2.873 1.00 0.00 N ATOM 394 CA ALA A 29 -5.013 -1.862 3.903 1.00 0.00 C ATOM 395 C ALA A 29 -5.306 -0.407 3.551 1.00 0.00 C ATOM 396 O ALA A 29 -5.025 0.042 2.439 1.00 0.00 O ATOM 397 CB ALA A 29 -3.519 -2.068 4.104 1.00 0.00 C ATOM 0 H ALA A 29 -5.040 -2.679 1.974 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.529 -2.094 4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.159 -1.389 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.332 -3.097 4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.995 -1.866 3.170 1.00 0.00 H new ATOM 403 N THR A 30 -5.873 0.326 4.504 1.00 0.00 N ATOM 404 CA THR A 30 -6.205 1.729 4.294 1.00 0.00 C ATOM 405 C THR A 30 -5.089 2.639 4.794 1.00 0.00 C ATOM 406 O THR A 30 -4.783 2.666 5.986 1.00 0.00 O ATOM 407 CB THR A 30 -7.518 2.108 5.005 1.00 0.00 C ATOM 408 OG1 THR A 30 -8.557 1.193 4.635 1.00 0.00 O ATOM 409 CG2 THR A 30 -7.936 3.527 4.650 1.00 0.00 C ATOM 0 H THR A 30 -6.112 -0.030 5.430 1.00 0.00 H new ATOM 0 HA THR A 30 -6.329 1.867 3.220 1.00 0.00 H new ATOM 0 HB THR A 30 -7.352 2.054 6.081 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.388 1.439 5.092 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.866 3.772 5.164 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.157 4.224 4.958 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.086 3.604 3.573 1.00 0.00 H new ATOM 417 N CYS A 31 -4.484 3.385 3.875 1.00 0.00 N ATOM 418 CA CYS A 31 -3.402 4.298 4.222 1.00 0.00 C ATOM 419 C CYS A 31 -3.897 5.400 5.154 1.00 0.00 C ATOM 420 O CYS A 31 -4.866 6.096 4.849 1.00 0.00 O ATOM 421 CB CYS A 31 -2.802 4.915 2.957 1.00 0.00 C ATOM 422 SG CYS A 31 -1.160 5.664 3.202 1.00 0.00 S ATOM 0 H CYS A 31 -4.725 3.375 2.884 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.631 3.728 4.741 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.727 4.144 2.190 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.484 5.676 2.578 1.00 0.00 H new ATOM 427 N ARG A 32 -3.225 5.553 6.290 1.00 0.00 N ATOM 428 CA ARG A 32 -3.597 6.570 7.267 1.00 0.00 C ATOM 429 C ARG A 32 -2.927 7.902 6.946 1.00 0.00 C ATOM 430 O ARG A 32 -3.128 8.895 7.647 1.00 0.00 O ATOM 431 CB ARG A 32 -3.211 6.118 8.676 1.00 0.00 C ATOM 432 CG ARG A 32 -3.944 4.869 9.138 1.00 0.00 C ATOM 433 CD ARG A 32 -3.269 4.242 10.348 1.00 0.00 C ATOM 434 NE ARG A 32 -3.537 4.990 11.573 1.00 0.00 N ATOM 435 CZ ARG A 32 -3.312 4.510 12.791 1.00 0.00 C ATOM 436 NH1 ARG A 32 -2.817 3.290 12.946 1.00 0.00 N ATOM 437 NH2 ARG A 32 -3.582 5.251 13.858 1.00 0.00 N ATOM 0 H ARG A 32 -2.420 4.986 6.557 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.677 6.706 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.138 5.931 8.707 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.414 6.928 9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.975 5.122 9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.980 4.145 8.324 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.617 3.216 10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.193 4.196 10.179 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.918 5.933 11.489 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.608 2.717 12.129 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.645 2.924 13.883 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.963 6.190 13.744 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.409 4.881 14.793 1.00 0.00 H new ATOM 451 N LEU A 33 -2.130 7.918 5.884 1.00 0.00 N ATOM 452 CA LEU A 33 -1.430 9.128 5.470 1.00 0.00 C ATOM 453 C LEU A 33 -2.254 9.915 4.456 1.00 0.00 C ATOM 454 O LEU A 33 -2.430 11.127 4.590 1.00 0.00 O ATOM 455 CB LEU A 33 -0.068 8.773 4.871 1.00 0.00 C ATOM 456 CG LEU A 33 1.049 8.477 5.872 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.295 7.985 5.151 1.00 0.00 C ATOM 458 CD2 LEU A 33 1.364 9.713 6.702 1.00 0.00 C ATOM 0 H LEU A 33 -1.952 7.106 5.293 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.282 9.751 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.192 7.902 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.252 9.597 4.233 1.00 0.00 H new ATOM 0 HG LEU A 33 0.708 7.690 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.079 7.779 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.061 7.073 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.638 8.750 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.161 9.483 7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.684 10.521 6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.473 10.021 7.248 1.00 0.00 H new ATOM 470 N CYS A 34 -2.760 9.219 3.444 1.00 0.00 N ATOM 471 CA CYS A 34 -3.568 9.851 2.408 1.00 0.00 C ATOM 472 C CYS A 34 -4.973 9.257 2.376 1.00 0.00 C ATOM 473 O CYS A 34 -5.957 9.972 2.193 1.00 0.00 O ATOM 474 CB CYS A 34 -2.901 9.687 1.041 1.00 0.00 C ATOM 475 SG CYS A 34 -2.772 7.958 0.479 1.00 0.00 S ATOM 0 H CYS A 34 -2.625 8.216 3.319 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.647 10.913 2.641 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.465 10.257 0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.902 10.120 1.082 1.00 0.00 H new ATOM 480 N GLY A 35 -5.058 7.942 2.556 1.00 0.00 N ATOM 481 CA GLY A 35 -6.346 7.273 2.544 1.00 0.00 C ATOM 482 C GLY A 35 -6.520 6.371 1.338 1.00 0.00 C ATOM 483 O GLY A 35 -7.644 6.072 0.937 1.00 0.00 O ATOM 0 H GLY A 35 -4.258 7.328 2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.454 6.683 3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.140 8.020 2.553 1.00 0.00 H new ATOM 487 N ARG A 36 -5.405 5.939 0.759 1.00 0.00 N ATOM 488 CA ARG A 36 -5.440 5.069 -0.410 1.00 0.00 C ATOM 489 C ARG A 36 -5.466 3.601 0.005 1.00 0.00 C ATOM 490 O ARG A 36 -4.820 3.210 0.977 1.00 0.00 O ATOM 491 CB ARG A 36 -4.228 5.334 -1.306 1.00 0.00 C ATOM 492 CG ARG A 36 -4.371 6.576 -2.171 1.00 0.00 C ATOM 493 CD ARG A 36 -4.995 6.249 -3.518 1.00 0.00 C ATOM 494 NE ARG A 36 -5.722 7.386 -4.075 1.00 0.00 N ATOM 495 CZ ARG A 36 -6.983 7.674 -3.771 1.00 0.00 C ATOM 496 NH1 ARG A 36 -7.653 6.911 -2.919 1.00 0.00 N ATOM 497 NH2 ARG A 36 -7.575 8.726 -4.320 1.00 0.00 N ATOM 0 H ARG A 36 -4.467 6.177 1.080 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.351 5.288 -0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.340 5.436 -0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.067 4.469 -1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.986 7.312 -1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.391 7.029 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.214 5.942 -4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.674 5.404 -3.407 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.235 7.993 -4.734 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.201 6.101 -2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.621 7.134 -2.687 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.062 9.315 -4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.543 8.946 -4.086 1.00 0.00 H new ATOM 511 N GLN A 37 -6.219 2.795 -0.737 1.00 0.00 N ATOM 512 CA GLN A 37 -6.330 1.371 -0.444 1.00 0.00 C ATOM 513 C GLN A 37 -5.186 0.592 -1.084 1.00 0.00 C ATOM 514 O GLN A 37 -4.988 0.644 -2.298 1.00 0.00 O ATOM 515 CB GLN A 37 -7.672 0.830 -0.941 1.00 0.00 C ATOM 516 CG GLN A 37 -8.870 1.617 -0.435 1.00 0.00 C ATOM 517 CD GLN A 37 -8.864 3.057 -0.907 1.00 0.00 C ATOM 518 OE1 GLN A 37 -8.989 3.332 -2.101 1.00 0.00 O ATOM 519 NE2 GLN A 37 -8.717 3.987 0.030 1.00 0.00 N ATOM 0 H GLN A 37 -6.761 3.103 -1.544 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.272 1.243 0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.676 0.838 -2.031 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.773 -0.210 -0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.787 1.132 -0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.880 1.596 0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.617 3.714 1.008 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.704 4.974 -0.228 1.00 0.00 H new ATOM 528 N VAL A 38 -4.434 -0.130 -0.259 1.00 0.00 N ATOM 529 CA VAL A 38 -3.309 -0.921 -0.745 1.00 0.00 C ATOM 530 C VAL A 38 -3.409 -2.367 -0.272 1.00 0.00 C ATOM 531 O VAL A 38 -3.354 -2.644 0.926 1.00 0.00 O ATOM 532 CB VAL A 38 -1.965 -0.331 -0.278 1.00 0.00 C ATOM 533 CG1 VAL A 38 -0.805 -1.154 -0.816 1.00 0.00 C ATOM 534 CG2 VAL A 38 -1.844 1.123 -0.709 1.00 0.00 C ATOM 0 H VAL A 38 -4.583 -0.184 0.749 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.350 -0.894 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.930 -0.367 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.136 -0.722 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.886 -2.178 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.832 -1.152 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.889 1.524 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.900 1.186 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.657 1.702 -0.270 1.00 0.00 H new ATOM 544 N SER A 39 -3.556 -3.286 -1.221 1.00 0.00 N ATOM 545 CA SER A 39 -3.666 -4.704 -0.901 1.00 0.00 C ATOM 546 C SER A 39 -2.339 -5.419 -1.136 1.00 0.00 C ATOM 547 O SER A 39 -1.465 -4.912 -1.839 1.00 0.00 O ATOM 548 CB SER A 39 -4.765 -5.354 -1.744 1.00 0.00 C ATOM 549 OG SER A 39 -4.423 -5.349 -3.119 1.00 0.00 O ATOM 0 H SER A 39 -3.602 -3.074 -2.218 1.00 0.00 H new ATOM 0 HA SER A 39 -3.925 -4.794 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.926 -6.379 -1.410 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.704 -4.820 -1.598 1.00 0.00 H new ATOM 0 HG SER A 39 -5.232 -5.219 -3.657 1.00 0.00 H new ATOM 555 N ARG A 40 -2.197 -6.599 -0.542 1.00 0.00 N ATOM 556 CA ARG A 40 -0.977 -7.384 -0.685 1.00 0.00 C ATOM 557 C ARG A 40 -1.140 -8.453 -1.762 1.00 0.00 C ATOM 558 O ARG A 40 -0.292 -8.598 -2.641 1.00 0.00 O ATOM 559 CB ARG A 40 -0.608 -8.040 0.647 1.00 0.00 C ATOM 560 CG ARG A 40 -0.005 -7.075 1.655 1.00 0.00 C ATOM 561 CD ARG A 40 -0.204 -7.563 3.081 1.00 0.00 C ATOM 562 NE ARG A 40 0.719 -8.642 3.424 1.00 0.00 N ATOM 563 CZ ARG A 40 1.999 -8.448 3.722 1.00 0.00 C ATOM 564 NH1 ARG A 40 2.505 -7.222 3.719 1.00 0.00 N ATOM 565 NH2 ARG A 40 2.775 -9.481 4.023 1.00 0.00 N ATOM 0 H ARG A 40 -2.912 -7.032 0.043 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.175 -6.710 -0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.501 -8.493 1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.100 -8.847 0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.060 -6.957 1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.462 -6.092 1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.063 -6.732 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.230 -7.910 3.206 1.00 0.00 H new ATOM 0 HE ARG A 40 0.361 -9.597 3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.911 -6.426 3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.488 -7.075 3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.389 -10.425 4.026 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.758 -9.331 4.252 1.00 0.00 H new ATOM 579 N GLY A 41 -2.238 -9.200 -1.686 1.00 0.00 N ATOM 580 CA GLY A 41 -2.493 -10.245 -2.659 1.00 0.00 C ATOM 581 C GLY A 41 -2.231 -11.631 -2.103 1.00 0.00 C ATOM 582 O GLY A 41 -1.895 -11.800 -0.931 1.00 0.00 O ATOM 0 H GLY A 41 -2.955 -9.099 -0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.528 -10.181 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.864 -10.083 -3.535 1.00 0.00 H new ATOM 586 N PRO A 42 -2.387 -12.654 -2.957 1.00 0.00 N ATOM 587 CA PRO A 42 -2.171 -14.051 -2.566 1.00 0.00 C ATOM 588 C PRO A 42 -0.700 -14.360 -2.310 1.00 0.00 C ATOM 589 O PRO A 42 0.183 -13.819 -2.974 1.00 0.00 O ATOM 590 CB PRO A 42 -2.681 -14.840 -3.774 1.00 0.00 C ATOM 591 CG PRO A 42 -2.544 -13.903 -4.924 1.00 0.00 C ATOM 592 CD PRO A 42 -2.785 -12.527 -4.368 1.00 0.00 C ATOM 0 HA PRO A 42 -2.679 -14.297 -1.634 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.096 -15.747 -3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.717 -15.149 -3.636 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.552 -13.975 -5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.264 -14.139 -5.708 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.191 -11.774 -4.887 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.830 -12.232 -4.466 1.00 0.00 H new ATOM 600 N GLY A 43 -0.443 -15.235 -1.342 1.00 0.00 N ATOM 601 CA GLY A 43 0.923 -15.601 -1.016 1.00 0.00 C ATOM 602 C GLY A 43 1.890 -14.448 -1.193 1.00 0.00 C ATOM 603 O GLY A 43 2.484 -14.284 -2.258 1.00 0.00 O ATOM 0 H GLY A 43 -1.157 -15.697 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.966 -15.952 0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.234 -16.432 -1.649 1.00 0.00 H new ATOM 607 N VAL A 44 2.049 -13.645 -0.145 1.00 0.00 N ATOM 608 CA VAL A 44 2.950 -12.500 -0.189 1.00 0.00 C ATOM 609 C VAL A 44 4.035 -12.614 0.876 1.00 0.00 C ATOM 610 O VAL A 44 3.787 -13.096 1.980 1.00 0.00 O ATOM 611 CB VAL A 44 2.188 -11.177 0.010 1.00 0.00 C ATOM 612 CG1 VAL A 44 3.156 -10.005 0.060 1.00 0.00 C ATOM 613 CG2 VAL A 44 1.160 -10.983 -1.095 1.00 0.00 C ATOM 0 H VAL A 44 1.565 -13.767 0.745 1.00 0.00 H new ATOM 0 HA VAL A 44 3.412 -12.499 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 44 1.660 -11.222 0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.599 -9.079 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.850 -10.141 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.714 -9.954 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.631 -10.043 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.664 -10.959 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.448 -11.808 -1.078 1.00 0.00 H new ATOM 623 N ASN A 45 5.240 -12.166 0.536 1.00 0.00 N ATOM 624 CA ASN A 45 6.364 -12.218 1.463 1.00 0.00 C ATOM 625 C ASN A 45 7.591 -11.533 0.869 1.00 0.00 C ATOM 626 O ASN A 45 8.133 -11.976 -0.144 1.00 0.00 O ATOM 627 CB ASN A 45 6.696 -13.670 1.815 1.00 0.00 C ATOM 628 CG ASN A 45 7.372 -13.797 3.166 1.00 0.00 C ATOM 629 OD1 ASN A 45 8.498 -14.286 3.266 1.00 0.00 O ATOM 630 ND2 ASN A 45 6.686 -13.357 4.215 1.00 0.00 N ATOM 0 H ASN A 45 5.462 -11.763 -0.374 1.00 0.00 H new ATOM 0 HA ASN A 45 6.078 -11.688 2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.780 -14.260 1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.346 -14.088 1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.089 -13.417 5.150 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.756 -12.959 4.086 1.00 0.00 H new ATOM 637 N VAL A 46 8.025 -10.451 1.507 1.00 0.00 N ATOM 638 CA VAL A 46 9.189 -9.706 1.043 1.00 0.00 C ATOM 639 C VAL A 46 9.651 -8.699 2.091 1.00 0.00 C ATOM 640 O VAL A 46 8.837 -8.015 2.710 1.00 0.00 O ATOM 641 CB VAL A 46 8.892 -8.961 -0.272 1.00 0.00 C ATOM 642 CG1 VAL A 46 7.668 -8.071 -0.117 1.00 0.00 C ATOM 643 CG2 VAL A 46 10.101 -8.147 -0.708 1.00 0.00 C ATOM 0 H VAL A 46 7.588 -10.071 2.347 1.00 0.00 H new ATOM 0 HA VAL A 46 9.981 -10.434 0.868 1.00 0.00 H new ATOM 0 HB VAL A 46 8.680 -9.698 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.474 -7.553 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.805 -8.682 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.848 -7.339 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.873 -7.627 -1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.346 -7.418 0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.951 -8.812 -0.862 1.00 0.00 H new ATOM 653 N GLY A 47 10.964 -8.614 2.285 1.00 0.00 N ATOM 654 CA GLY A 47 11.511 -7.688 3.258 1.00 0.00 C ATOM 655 C GLY A 47 10.886 -6.310 3.164 1.00 0.00 C ATOM 656 O GLY A 47 10.731 -5.619 4.172 1.00 0.00 O ATOM 0 H GLY A 47 11.658 -9.170 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.356 -8.086 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.588 -7.606 3.111 1.00 0.00 H new ATOM 660 N THR A 48 10.525 -5.907 1.950 1.00 0.00 N ATOM 661 CA THR A 48 9.915 -4.602 1.727 1.00 0.00 C ATOM 662 C THR A 48 8.395 -4.706 1.683 1.00 0.00 C ATOM 663 O THR A 48 7.807 -4.914 0.621 1.00 0.00 O ATOM 664 CB THR A 48 10.413 -3.966 0.416 1.00 0.00 C ATOM 665 OG1 THR A 48 11.840 -3.847 0.440 1.00 0.00 O ATOM 666 CG2 THR A 48 9.789 -2.595 0.208 1.00 0.00 C ATOM 0 H THR A 48 10.645 -6.466 1.105 1.00 0.00 H new ATOM 0 HA THR A 48 10.209 -3.969 2.564 1.00 0.00 H new ATOM 0 HB THR A 48 10.116 -4.612 -0.410 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.149 -3.443 -0.398 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.156 -2.166 -0.724 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.704 -2.692 0.161 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.059 -1.943 1.039 1.00 0.00 H new ATOM 674 N THR A 49 7.762 -4.559 2.843 1.00 0.00 N ATOM 675 CA THR A 49 6.310 -4.636 2.936 1.00 0.00 C ATOM 676 C THR A 49 5.644 -3.841 1.819 1.00 0.00 C ATOM 677 O THR A 49 5.904 -2.650 1.652 1.00 0.00 O ATOM 678 CB THR A 49 5.806 -4.113 4.294 1.00 0.00 C ATOM 679 OG1 THR A 49 6.565 -4.700 5.358 1.00 0.00 O ATOM 680 CG2 THR A 49 4.330 -4.431 4.483 1.00 0.00 C ATOM 0 H THR A 49 8.233 -4.386 3.731 1.00 0.00 H new ATOM 0 HA THR A 49 6.043 -5.688 2.838 1.00 0.00 H new ATOM 0 HB THR A 49 5.934 -3.031 4.311 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.239 -4.361 6.218 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.997 -4.052 5.449 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.752 -3.959 3.689 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.183 -5.510 4.447 1.00 0.00 H new ATOM 688 N ALA A 50 4.782 -4.507 1.057 1.00 0.00 N ATOM 689 CA ALA A 50 4.077 -3.861 -0.042 1.00 0.00 C ATOM 690 C ALA A 50 3.747 -2.411 0.294 1.00 0.00 C ATOM 691 O ALA A 50 3.732 -1.547 -0.585 1.00 0.00 O ATOM 692 CB ALA A 50 2.807 -4.629 -0.378 1.00 0.00 C ATOM 0 H ALA A 50 4.556 -5.494 1.181 1.00 0.00 H new ATOM 0 HA ALA A 50 4.732 -3.864 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.290 -4.135 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.064 -5.647 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.156 -4.655 0.496 1.00 0.00 H new ATOM 698 N LEU A 51 3.483 -2.150 1.569 1.00 0.00 N ATOM 699 CA LEU A 51 3.152 -0.803 2.021 1.00 0.00 C ATOM 700 C LEU A 51 4.268 0.178 1.674 1.00 0.00 C ATOM 701 O LEU A 51 4.039 1.177 0.992 1.00 0.00 O ATOM 702 CB LEU A 51 2.904 -0.797 3.531 1.00 0.00 C ATOM 703 CG LEU A 51 1.939 -1.860 4.057 1.00 0.00 C ATOM 704 CD1 LEU A 51 1.987 -1.920 5.575 1.00 0.00 C ATOM 705 CD2 LEU A 51 0.523 -1.579 3.577 1.00 0.00 C ATOM 0 H LEU A 51 3.492 -2.853 2.308 1.00 0.00 H new ATOM 0 HA LEU A 51 2.243 -0.488 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.861 -0.922 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.521 0.184 3.812 1.00 0.00 H new ATOM 0 HG LEU A 51 2.248 -2.829 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.294 -2.682 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.998 -2.170 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.704 -0.951 5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.150 -2.346 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.204 -0.602 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.500 -1.588 2.487 1.00 0.00 H new ATOM 717 N TRP A 52 5.474 -0.116 2.146 1.00 0.00 N ATOM 718 CA TRP A 52 6.626 0.739 1.883 1.00 0.00 C ATOM 719 C TRP A 52 6.586 1.285 0.460 1.00 0.00 C ATOM 720 O TRP A 52 6.644 2.496 0.246 1.00 0.00 O ATOM 721 CB TRP A 52 7.925 -0.037 2.108 1.00 0.00 C ATOM 722 CG TRP A 52 8.184 -0.356 3.549 1.00 0.00 C ATOM 723 CD1 TRP A 52 8.048 -1.572 4.157 1.00 0.00 C ATOM 724 CD2 TRP A 52 8.622 0.555 4.564 1.00 0.00 C ATOM 725 NE1 TRP A 52 8.374 -1.471 5.488 1.00 0.00 N ATOM 726 CE2 TRP A 52 8.731 -0.177 5.762 1.00 0.00 C ATOM 727 CE3 TRP A 52 8.934 1.917 4.575 1.00 0.00 C ATOM 728 CZ2 TRP A 52 9.138 0.409 6.958 1.00 0.00 C ATOM 729 CZ3 TRP A 52 9.337 2.497 5.763 1.00 0.00 C ATOM 730 CH2 TRP A 52 9.437 1.744 6.940 1.00 0.00 C ATOM 0 H TRP A 52 5.680 -0.939 2.712 1.00 0.00 H new ATOM 0 HA TRP A 52 6.588 1.580 2.576 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.888 -0.966 1.539 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.760 0.544 1.716 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.731 -2.479 3.664 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.354 -2.236 6.163 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.862 2.505 3.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.215 -0.169 7.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.579 3.549 5.784 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.757 2.227 7.852 1.00 0.00 H new ATOM 741 N LYS A 53 6.485 0.384 -0.512 1.00 0.00 N ATOM 742 CA LYS A 53 6.435 0.775 -1.916 1.00 0.00 C ATOM 743 C LYS A 53 5.581 2.024 -2.103 1.00 0.00 C ATOM 744 O LYS A 53 5.976 2.961 -2.797 1.00 0.00 O ATOM 745 CB LYS A 53 5.877 -0.369 -2.766 1.00 0.00 C ATOM 746 CG LYS A 53 6.920 -1.403 -3.153 1.00 0.00 C ATOM 747 CD LYS A 53 7.207 -2.362 -2.009 1.00 0.00 C ATOM 748 CE LYS A 53 8.218 -3.424 -2.412 1.00 0.00 C ATOM 749 NZ LYS A 53 7.591 -4.511 -3.214 1.00 0.00 N ATOM 0 H LYS A 53 6.436 -0.622 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 53 7.451 0.999 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.075 -0.862 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.434 0.045 -3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.573 -1.964 -4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.841 -0.900 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.585 -1.805 -1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.280 -2.841 -1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.019 -2.962 -2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.674 -3.849 -1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.313 -5.215 -3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.844 -4.969 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.178 -4.110 -4.080 1.00 0.00 H new ATOM 763 N HIS A 54 4.408 2.033 -1.477 1.00 0.00 N ATOM 764 CA HIS A 54 3.498 3.169 -1.573 1.00 0.00 C ATOM 765 C HIS A 54 4.059 4.378 -0.831 1.00 0.00 C ATOM 766 O HIS A 54 4.043 5.497 -1.344 1.00 0.00 O ATOM 767 CB HIS A 54 2.126 2.800 -1.008 1.00 0.00 C ATOM 768 CG HIS A 54 1.131 3.917 -1.074 1.00 0.00 C ATOM 769 ND1 HIS A 54 0.582 4.367 -2.257 1.00 0.00 N ATOM 770 CD2 HIS A 54 0.585 4.676 -0.095 1.00 0.00 C ATOM 771 CE1 HIS A 54 -0.258 5.355 -2.002 1.00 0.00 C ATOM 772 NE2 HIS A 54 -0.274 5.562 -0.697 1.00 0.00 N ATOM 0 H HIS A 54 4.066 1.266 -0.898 1.00 0.00 H new ATOM 0 HA HIS A 54 3.390 3.429 -2.626 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.735 1.943 -1.557 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.242 2.488 0.030 1.00 0.00 H new ATOM 0 HD1 HIS A 54 0.792 3.995 -3.183 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.787 4.599 0.963 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.833 5.900 -2.735 1.00 0.00 H new ATOM 780 N LEU A 55 4.553 4.145 0.380 1.00 0.00 N ATOM 781 CA LEU A 55 5.118 5.216 1.194 1.00 0.00 C ATOM 782 C LEU A 55 6.242 5.930 0.451 1.00 0.00 C ATOM 783 O LEU A 55 6.287 7.159 0.402 1.00 0.00 O ATOM 784 CB LEU A 55 5.643 4.654 2.517 1.00 0.00 C ATOM 785 CG LEU A 55 4.593 4.063 3.459 1.00 0.00 C ATOM 786 CD1 LEU A 55 5.259 3.260 4.565 1.00 0.00 C ATOM 787 CD2 LEU A 55 3.723 5.165 4.047 1.00 0.00 C ATOM 0 H LEU A 55 4.574 3.225 0.820 1.00 0.00 H new ATOM 0 HA LEU A 55 4.328 5.938 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.378 3.881 2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.168 5.451 3.044 1.00 0.00 H new ATOM 0 HG LEU A 55 3.955 3.391 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.496 2.847 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.838 2.447 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.922 3.909 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.982 4.726 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.347 5.862 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.216 5.697 3.242 1.00 0.00 H new ATOM 799 N LYS A 56 7.149 5.151 -0.130 1.00 0.00 N ATOM 800 CA LYS A 56 8.272 5.707 -0.875 1.00 0.00 C ATOM 801 C LYS A 56 7.832 6.166 -2.261 1.00 0.00 C ATOM 802 O LYS A 56 8.589 6.819 -2.979 1.00 0.00 O ATOM 803 CB LYS A 56 9.391 4.671 -1.001 1.00 0.00 C ATOM 804 CG LYS A 56 9.864 4.121 0.334 1.00 0.00 C ATOM 805 CD LYS A 56 10.299 2.670 0.217 1.00 0.00 C ATOM 806 CE LYS A 56 11.016 2.200 1.473 1.00 0.00 C ATOM 807 NZ LYS A 56 12.138 3.107 1.844 1.00 0.00 N ATOM 0 H LYS A 56 7.128 4.132 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 56 8.646 6.572 -0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.042 3.846 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.237 5.123 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.695 4.722 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.062 4.203 1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.427 2.041 0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.958 2.555 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.305 2.145 2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.400 1.192 1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.857 2.572 2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.564 3.503 0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.777 3.880 2.438 1.00 0.00 H new ATOM 821 N SER A 57 6.602 5.822 -2.631 1.00 0.00 N ATOM 822 CA SER A 57 6.062 6.197 -3.932 1.00 0.00 C ATOM 823 C SER A 57 5.530 7.626 -3.908 1.00 0.00 C ATOM 824 O SER A 57 5.733 8.391 -4.850 1.00 0.00 O ATOM 825 CB SER A 57 4.947 5.232 -4.342 1.00 0.00 C ATOM 826 OG SER A 57 4.365 5.620 -5.574 1.00 0.00 O ATOM 0 H SER A 57 5.961 5.284 -2.048 1.00 0.00 H new ATOM 0 HA SER A 57 6.869 6.141 -4.663 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.349 4.222 -4.428 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.181 5.205 -3.567 1.00 0.00 H new ATOM 0 HG SER A 57 3.657 4.987 -5.815 1.00 0.00 H new ATOM 832 N MET A 58 4.848 7.979 -2.823 1.00 0.00 N ATOM 833 CA MET A 58 4.287 9.317 -2.675 1.00 0.00 C ATOM 834 C MET A 58 4.727 9.948 -1.358 1.00 0.00 C ATOM 835 O MET A 58 4.927 11.160 -1.275 1.00 0.00 O ATOM 836 CB MET A 58 2.759 9.263 -2.742 1.00 0.00 C ATOM 837 CG MET A 58 2.123 8.558 -1.556 1.00 0.00 C ATOM 838 SD MET A 58 0.408 9.050 -1.292 1.00 0.00 S ATOM 839 CE MET A 58 -0.224 8.982 -2.967 1.00 0.00 C ATOM 0 H MET A 58 4.671 7.357 -2.034 1.00 0.00 H new ATOM 0 HA MET A 58 4.658 9.932 -3.495 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.370 10.280 -2.801 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.462 8.754 -3.659 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.168 7.480 -1.713 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.701 8.774 -0.657 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.314 8.961 -2.944 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.110 9.861 -3.518 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.146 8.083 -3.459 1.00 0.00 H new ATOM 849 N HIS A 59 4.877 9.118 -0.330 1.00 0.00 N ATOM 850 CA HIS A 59 5.294 9.596 0.983 1.00 0.00 C ATOM 851 C HIS A 59 6.810 9.506 1.138 1.00 0.00 C ATOM 852 O HIS A 59 7.326 9.424 2.253 1.00 0.00 O ATOM 853 CB HIS A 59 4.609 8.788 2.085 1.00 0.00 C ATOM 854 CG HIS A 59 3.115 8.771 1.974 1.00 0.00 C ATOM 855 ND1 HIS A 59 2.341 9.908 2.062 1.00 0.00 N ATOM 856 CD2 HIS A 59 2.254 7.745 1.780 1.00 0.00 C ATOM 857 CE1 HIS A 59 1.068 9.583 1.928 1.00 0.00 C ATOM 858 NE2 HIS A 59 0.987 8.276 1.756 1.00 0.00 N ATOM 0 H HIS A 59 4.716 8.112 -0.381 1.00 0.00 H new ATOM 0 HA HIS A 59 4.998 10.641 1.072 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.979 7.763 2.056 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.889 9.201 3.054 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.696 10.853 2.208 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.514 6.703 1.665 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.235 10.269 1.955 1.00 0.00 H new ATOM 866 N ARG A 60 7.516 9.522 0.013 1.00 0.00 N ATOM 867 CA ARG A 60 8.972 9.440 0.023 1.00 0.00 C ATOM 868 C ARG A 60 9.570 10.504 0.939 1.00 0.00 C ATOM 869 O ARG A 60 10.542 10.249 1.649 1.00 0.00 O ATOM 870 CB ARG A 60 9.524 9.604 -1.394 1.00 0.00 C ATOM 871 CG ARG A 60 11.036 9.748 -1.446 1.00 0.00 C ATOM 872 CD ARG A 60 11.532 9.906 -2.875 1.00 0.00 C ATOM 873 NE ARG A 60 12.979 10.090 -2.935 1.00 0.00 N ATOM 874 CZ ARG A 60 13.578 11.266 -2.779 1.00 0.00 C ATOM 875 NH1 ARG A 60 12.857 12.355 -2.554 1.00 0.00 N ATOM 876 NH2 ARG A 60 14.900 11.352 -2.847 1.00 0.00 N ATOM 0 H ARG A 60 7.104 9.591 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 60 9.252 8.458 0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.229 8.742 -1.992 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.068 10.481 -1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.341 10.613 -0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.502 8.873 -0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.254 9.026 -3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.038 10.761 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 60 13.562 9.271 -3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.840 12.291 -2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.319 13.257 -2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.457 10.515 -3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.359 12.255 -2.727 1.00 0.00 H new ATOM 890 N GLU A 61 8.980 11.695 0.918 1.00 0.00 N ATOM 891 CA GLU A 61 9.456 12.797 1.746 1.00 0.00 C ATOM 892 C GLU A 61 9.169 12.533 3.221 1.00 0.00 C ATOM 893 O GLU A 61 9.985 12.844 4.088 1.00 0.00 O ATOM 894 CB GLU A 61 8.799 14.109 1.314 1.00 0.00 C ATOM 895 CG GLU A 61 9.224 14.578 -0.067 1.00 0.00 C ATOM 896 CD GLU A 61 10.620 15.172 -0.077 1.00 0.00 C ATOM 897 OE1 GLU A 61 11.534 14.546 0.499 1.00 0.00 O ATOM 898 OE2 GLU A 61 10.797 16.261 -0.661 1.00 0.00 O ATOM 0 H GLU A 61 8.173 11.921 0.337 1.00 0.00 H new ATOM 0 HA GLU A 61 10.535 12.878 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.716 13.985 1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.041 14.883 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.186 13.737 -0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.514 15.322 -0.429 1.00 0.00 H new ATOM 905 N GLU A 62 8.003 11.956 3.497 1.00 0.00 N ATOM 906 CA GLU A 62 7.608 11.652 4.867 1.00 0.00 C ATOM 907 C GLU A 62 8.594 10.685 5.516 1.00 0.00 C ATOM 908 O GLU A 62 8.949 10.835 6.686 1.00 0.00 O ATOM 909 CB GLU A 62 6.199 11.054 4.894 1.00 0.00 C ATOM 910 CG GLU A 62 5.809 10.475 6.243 1.00 0.00 C ATOM 911 CD GLU A 62 5.220 11.514 7.176 1.00 0.00 C ATOM 912 OE1 GLU A 62 4.502 12.411 6.686 1.00 0.00 O ATOM 913 OE2 GLU A 62 5.477 11.432 8.395 1.00 0.00 O ATOM 0 H GLU A 62 7.317 11.690 2.791 1.00 0.00 H new ATOM 0 HA GLU A 62 7.612 12.583 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.481 11.826 4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.131 10.271 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.085 9.674 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.687 10.029 6.710 1.00 0.00 H new ATOM 920 N LEU A 63 9.034 9.694 4.748 1.00 0.00 N ATOM 921 CA LEU A 63 9.980 8.702 5.247 1.00 0.00 C ATOM 922 C LEU A 63 11.354 9.324 5.473 1.00 0.00 C ATOM 923 O LEU A 63 11.914 9.235 6.565 1.00 0.00 O ATOM 924 CB LEU A 63 10.091 7.535 4.264 1.00 0.00 C ATOM 925 CG LEU A 63 8.785 6.817 3.924 1.00 0.00 C ATOM 926 CD1 LEU A 63 9.018 5.763 2.853 1.00 0.00 C ATOM 927 CD2 LEU A 63 8.182 6.187 5.172 1.00 0.00 C ATOM 0 H LEU A 63 8.751 9.556 3.778 1.00 0.00 H new ATOM 0 HA LEU A 63 9.609 8.331 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.530 7.907 3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.787 6.804 4.676 1.00 0.00 H new ATOM 0 HG LEU A 63 8.080 7.552 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.077 5.263 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.404 6.239 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.740 5.031 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.253 5.680 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.884 5.466 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.977 6.964 5.909 1.00 0.00 H new ATOM 939 N GLU A 64 11.889 9.957 4.433 1.00 0.00 N ATOM 940 CA GLU A 64 13.197 10.596 4.520 1.00 0.00 C ATOM 941 C GLU A 64 13.254 11.562 5.699 1.00 0.00 C ATOM 942 O GLU A 64 14.255 11.631 6.413 1.00 0.00 O ATOM 943 CB GLU A 64 13.513 11.340 3.221 1.00 0.00 C ATOM 944 CG GLU A 64 13.743 10.421 2.033 1.00 0.00 C ATOM 945 CD GLU A 64 14.560 11.078 0.937 1.00 0.00 C ATOM 946 OE1 GLU A 64 15.474 11.862 1.267 1.00 0.00 O ATOM 947 OE2 GLU A 64 14.285 10.807 -0.251 1.00 0.00 O ATOM 0 H GLU A 64 11.438 10.041 3.522 1.00 0.00 H new ATOM 0 HA GLU A 64 13.943 9.817 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.691 12.018 2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.400 11.955 3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.253 9.519 2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.780 10.110 1.627 1.00 0.00 H new ATOM 954 N LYS A 65 12.172 12.308 5.898 1.00 0.00 N ATOM 955 CA LYS A 65 12.096 13.270 6.991 1.00 0.00 C ATOM 956 C LYS A 65 11.907 12.562 8.328 1.00 0.00 C ATOM 957 O LYS A 65 12.684 12.760 9.262 1.00 0.00 O ATOM 958 CB LYS A 65 10.946 14.252 6.754 1.00 0.00 C ATOM 959 CG LYS A 65 11.084 15.550 7.531 1.00 0.00 C ATOM 960 CD LYS A 65 10.592 15.399 8.960 1.00 0.00 C ATOM 961 CE LYS A 65 9.087 15.596 9.055 1.00 0.00 C ATOM 962 NZ LYS A 65 8.712 17.037 9.025 1.00 0.00 N ATOM 0 H LYS A 65 11.335 12.265 5.316 1.00 0.00 H new ATOM 0 HA LYS A 65 13.036 13.821 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.888 14.480 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.007 13.772 7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.128 15.863 7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.518 16.336 7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.855 14.409 9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.096 16.125 9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.600 15.077 8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.719 15.144 9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.681 17.130 9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.183 17.535 9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.010 17.454 8.120 1.00 0.00 H new ATOM 976 N SER A 66 10.870 11.734 8.413 1.00 0.00 N ATOM 977 CA SER A 66 10.577 10.998 9.637 1.00 0.00 C ATOM 978 C SER A 66 11.850 10.400 10.228 1.00 0.00 C ATOM 979 O SER A 66 12.064 10.441 11.439 1.00 0.00 O ATOM 980 CB SER A 66 9.561 9.889 9.359 1.00 0.00 C ATOM 981 OG SER A 66 10.015 9.027 8.330 1.00 0.00 O ATOM 0 H SER A 66 10.219 11.556 7.648 1.00 0.00 H new ATOM 0 HA SER A 66 10.154 11.696 10.360 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.387 9.314 10.269 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.606 10.330 9.073 1.00 0.00 H new ATOM 0 HG SER A 66 10.764 9.447 7.858 1.00 0.00 H new ATOM 987 N GLY A 67 12.694 9.845 9.363 1.00 0.00 N ATOM 988 CA GLY A 67 13.935 9.246 9.818 1.00 0.00 C ATOM 989 C GLY A 67 13.774 7.784 10.185 1.00 0.00 C ATOM 990 O GLY A 67 14.116 7.374 11.294 1.00 0.00 O ATOM 0 H GLY A 67 12.540 9.800 8.356 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.688 9.340 9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.304 9.796 10.684 1.00 0.00 H new ATOM 994 N HIS A 68 13.249 6.996 9.252 1.00 0.00 N ATOM 995 CA HIS A 68 13.042 5.571 9.483 1.00 0.00 C ATOM 996 C HIS A 68 14.254 4.764 9.027 1.00 0.00 C ATOM 997 O HIS A 68 14.115 3.743 8.355 1.00 0.00 O ATOM 998 CB HIS A 68 11.789 5.091 8.749 1.00 0.00 C ATOM 999 CG HIS A 68 10.543 5.168 9.577 1.00 0.00 C ATOM 1000 ND1 HIS A 68 10.314 5.744 10.781 1.00 0.00 N flip ATOM 1001 CD2 HIS A 68 9.345 4.607 9.188 1.00 0.00 C flip ATOM 1002 CE1 HIS A 68 8.996 5.524 11.093 1.00 0.00 C flip ATOM 1003 NE2 HIS A 68 8.433 4.836 10.116 1.00 0.00 N flip ATOM 0 H HIS A 68 12.959 7.320 8.329 1.00 0.00 H new ATOM 0 HA HIS A 68 12.908 5.417 10.554 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.654 5.689 7.848 1.00 0.00 H new ATOM 0 HB3 HIS A 68 11.939 4.060 8.428 1.00 0.00 H new ATOM 0 HD1 HIS A 68 10.994 6.248 11.350 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.178 4.065 8.269 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.499 5.859 11.992 1.00 0.00 H new ATOM 1011 N GLY A 69 15.443 5.231 9.396 1.00 0.00 N ATOM 1012 CA GLY A 69 16.661 4.542 9.015 1.00 0.00 C ATOM 1013 C GLY A 69 16.765 4.333 7.517 1.00 0.00 C ATOM 1014 O GLY A 69 15.876 4.732 6.766 1.00 0.00 O ATOM 0 H GLY A 69 15.584 6.074 9.952 1.00 0.00 H new ATOM 0 HA2 GLY A 69 17.522 5.115 9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.700 3.575 9.517 1.00 0.00 H new ATOM 1018 N GLN A 70 17.854 3.707 7.082 1.00 0.00 N ATOM 1019 CA GLN A 70 18.071 3.448 5.664 1.00 0.00 C ATOM 1020 C GLN A 70 17.254 2.247 5.198 1.00 0.00 C ATOM 1021 O GLN A 70 17.809 1.223 4.801 1.00 0.00 O ATOM 1022 CB GLN A 70 19.556 3.207 5.389 1.00 0.00 C ATOM 1023 CG GLN A 70 20.443 4.382 5.767 1.00 0.00 C ATOM 1024 CD GLN A 70 19.884 5.710 5.296 1.00 0.00 C ATOM 1025 OE1 GLN A 70 20.154 6.150 4.178 1.00 0.00 O ATOM 1026 NE2 GLN A 70 19.099 6.358 6.149 1.00 0.00 N ATOM 0 H GLN A 70 18.599 3.370 7.691 1.00 0.00 H new ATOM 0 HA GLN A 70 17.743 4.325 5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.881 2.325 5.941 1.00 0.00 H new ATOM 0 HB3 GLN A 70 19.690 2.987 4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 70 20.565 4.407 6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.434 4.237 5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 70 18.901 5.957 7.066 1.00 0.00 H new ATOM 0 HE22 GLN A 70 18.694 7.257 5.887 1.00 0.00 H new ATOM 1035 N SER A 71 15.933 2.380 5.251 1.00 0.00 N ATOM 1036 CA SER A 71 15.039 1.304 4.839 1.00 0.00 C ATOM 1037 C SER A 71 14.864 1.294 3.323 1.00 0.00 C ATOM 1038 O SER A 71 13.752 1.153 2.817 1.00 0.00 O ATOM 1039 CB SER A 71 13.678 1.454 5.520 1.00 0.00 C ATOM 1040 OG SER A 71 13.107 2.722 5.247 1.00 0.00 O ATOM 0 H SER A 71 15.458 3.222 5.575 1.00 0.00 H new ATOM 0 HA SER A 71 15.486 0.357 5.142 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.007 0.668 5.175 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.791 1.327 6.597 1.00 0.00 H new ATOM 0 HG SER A 71 12.237 2.792 5.692 1.00 0.00 H new ATOM 1046 N GLY A 72 15.972 1.447 2.604 1.00 0.00 N ATOM 1047 CA GLY A 72 15.920 1.453 1.154 1.00 0.00 C ATOM 1048 C GLY A 72 17.183 2.015 0.531 1.00 0.00 C ATOM 1049 O GLY A 72 17.766 2.982 1.023 1.00 0.00 O ATOM 0 H GLY A 72 16.904 1.567 3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.763 0.436 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.064 2.042 0.827 1.00 0.00 H new ATOM 1053 N PRO A 73 17.625 1.401 -0.576 1.00 0.00 N ATOM 1054 CA PRO A 73 18.832 1.829 -1.290 1.00 0.00 C ATOM 1055 C PRO A 73 18.647 3.171 -1.989 1.00 0.00 C ATOM 1056 O PRO A 73 17.654 3.389 -2.684 1.00 0.00 O ATOM 1057 CB PRO A 73 19.049 0.716 -2.318 1.00 0.00 C ATOM 1058 CG PRO A 73 17.696 0.132 -2.536 1.00 0.00 C ATOM 1059 CD PRO A 73 16.980 0.243 -1.218 1.00 0.00 C ATOM 0 HA PRO A 73 19.675 1.975 -0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.464 1.110 -3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.749 -0.033 -1.948 1.00 0.00 H new ATOM 0 HG2 PRO A 73 17.160 0.670 -3.318 1.00 0.00 H new ATOM 0 HG3 PRO A 73 17.767 -0.908 -2.856 1.00 0.00 H new ATOM 0 HD2 PRO A 73 15.910 0.403 -1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.094 -0.662 -0.621 1.00 0.00 H new ATOM 1067 N SER A 74 19.610 4.069 -1.801 1.00 0.00 N ATOM 1068 CA SER A 74 19.551 5.392 -2.412 1.00 0.00 C ATOM 1069 C SER A 74 19.068 5.303 -3.856 1.00 0.00 C ATOM 1070 O SER A 74 19.413 4.370 -4.581 1.00 0.00 O ATOM 1071 CB SER A 74 20.926 6.061 -2.362 1.00 0.00 C ATOM 1072 OG SER A 74 20.989 7.164 -3.250 1.00 0.00 O ATOM 0 H SER A 74 20.440 3.904 -1.231 1.00 0.00 H new ATOM 0 HA SER A 74 18.840 5.995 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.134 6.396 -1.346 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.697 5.336 -2.623 1.00 0.00 H new ATOM 0 HG SER A 74 21.877 7.575 -3.198 1.00 0.00 H new ATOM 1078 N SER A 75 18.267 6.281 -4.267 1.00 0.00 N ATOM 1079 CA SER A 75 17.732 6.312 -5.623 1.00 0.00 C ATOM 1080 C SER A 75 17.228 7.708 -5.976 1.00 0.00 C ATOM 1081 O SER A 75 17.190 8.599 -5.129 1.00 0.00 O ATOM 1082 CB SER A 75 16.598 5.295 -5.770 1.00 0.00 C ATOM 1083 OG SER A 75 17.106 3.975 -5.859 1.00 0.00 O ATOM 0 H SER A 75 17.974 7.062 -3.680 1.00 0.00 H new ATOM 0 HA SER A 75 18.536 6.050 -6.311 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.923 5.372 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A 75 16.013 5.524 -6.661 1.00 0.00 H new ATOM 0 HG SER A 75 18.072 3.985 -5.696 1.00 0.00 H new ATOM 1089 N GLY A 76 16.840 7.890 -7.235 1.00 0.00 N ATOM 1090 CA GLY A 76 16.343 9.179 -7.679 1.00 0.00 C ATOM 1091 C GLY A 76 17.061 9.682 -8.916 1.00 0.00 C ATOM 1092 O GLY A 76 16.414 10.253 -9.793 1.00 0.00 O ATOM 0 H GLY A 76 16.861 7.168 -7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.276 9.101 -7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.458 9.906 -6.875 1.00 0.00 H new TER 1096 GLY A 76 HETATM 1097 ZN ZN A 201 -0.805 6.880 1.197 1.00 0.00 ZN