USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=19 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 59 HIS HE2 : A 59 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 54 HIS : no HD1:sc= -0.312 K(o=-0.31,f=-2.7) USER MOD Set 1.2: A 58 MET CE :methyl 163:sc= 0 (180deg=-0.499) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -5.36! C(o=-5!,f=-8.5!) USER MOD Set 2.2: A 30 THR OG1 : rot -73:sc= 0.239 USER MOD Set 2.3: A 37 GLN : amide:sc= 0.0998 K(o=-5,f=-5.6) USER MOD Set 3.1: A 24 HIS : no HD1:sc= -3.34! C(o=-4.4!,f=-2.7!) USER MOD Set 3.2: A 26 ASN : amide:sc= -1.05 K(o=-4.4,f=-3.1) USER MOD Set 4.1: A 13 TYR OH : rot 180:sc= -0.382 USER MOD Set 4.2: A 68 HIS : no HD1:sc= -0.772 K(o=-1.2,f=2.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.164 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 8 SER OG : rot 180:sc= -0.398 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.19! C(o=-3.2!,f=-13!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 91:sc= 0.0677 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -126:sc= -0.691 (180deg=-1.83!) USER MOD Single : A 57 SER OG : rot 97:sc= 1.25 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 125:sc= 0.195 USER MOD Single : A 70 GLN : amide:sc= -0.23 K(o=-0.23,f=-3!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -56:sc= 0.478 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.557 -15.331 0.282 1.00 0.00 N ATOM 2 CA GLY A 1 23.820 -14.429 1.388 1.00 0.00 C ATOM 3 C GLY A 1 22.550 -13.855 1.983 1.00 0.00 C ATOM 4 O GLY A 1 22.439 -12.645 2.179 1.00 0.00 O ATOM 0 H1 GLY A 1 24.457 -15.696 -0.090 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.972 -16.124 0.613 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.054 -14.820 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.372 -14.961 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.457 -13.614 1.044 1.00 0.00 H new ATOM 8 N SER A 2 21.587 -14.725 2.270 1.00 0.00 N ATOM 9 CA SER A 2 20.316 -14.298 2.842 1.00 0.00 C ATOM 10 C SER A 2 20.488 -13.881 4.299 1.00 0.00 C ATOM 11 O SER A 2 21.031 -14.630 5.111 1.00 0.00 O ATOM 12 CB SER A 2 19.283 -15.422 2.740 1.00 0.00 C ATOM 13 OG SER A 2 19.711 -16.573 3.445 1.00 0.00 O ATOM 0 H SER A 2 21.663 -15.730 2.116 1.00 0.00 H new ATOM 0 HA SER A 2 19.962 -13.437 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.329 -15.080 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.117 -15.674 1.693 1.00 0.00 H new ATOM 0 HG SER A 2 20.336 -16.310 4.153 1.00 0.00 H new ATOM 19 N SER A 3 20.021 -12.679 4.623 1.00 0.00 N ATOM 20 CA SER A 3 20.126 -12.159 5.982 1.00 0.00 C ATOM 21 C SER A 3 18.762 -11.712 6.499 1.00 0.00 C ATOM 22 O SER A 3 18.148 -10.796 5.953 1.00 0.00 O ATOM 23 CB SER A 3 21.110 -10.989 6.028 1.00 0.00 C ATOM 24 OG SER A 3 21.147 -10.403 7.318 1.00 0.00 O ATOM 0 H SER A 3 19.567 -12.047 3.964 1.00 0.00 H new ATOM 0 HA SER A 3 20.494 -12.959 6.624 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.106 -11.337 5.755 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.822 -10.238 5.292 1.00 0.00 H new ATOM 0 HG SER A 3 21.785 -9.659 7.321 1.00 0.00 H new ATOM 30 N GLY A 4 18.294 -12.367 7.558 1.00 0.00 N ATOM 31 CA GLY A 4 17.006 -12.023 8.132 1.00 0.00 C ATOM 32 C GLY A 4 16.715 -10.538 8.056 1.00 0.00 C ATOM 33 O GLY A 4 17.631 -9.717 8.076 1.00 0.00 O ATOM 0 H GLY A 4 18.783 -13.129 8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.221 -12.571 7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.979 -12.342 9.174 1.00 0.00 H new ATOM 37 N SER A 5 15.435 -10.192 7.966 1.00 0.00 N ATOM 38 CA SER A 5 15.025 -8.795 7.880 1.00 0.00 C ATOM 39 C SER A 5 13.756 -8.550 8.692 1.00 0.00 C ATOM 40 O SER A 5 12.777 -9.286 8.572 1.00 0.00 O ATOM 41 CB SER A 5 14.794 -8.398 6.421 1.00 0.00 C ATOM 42 OG SER A 5 15.951 -8.635 5.638 1.00 0.00 O ATOM 0 H SER A 5 14.664 -10.860 7.951 1.00 0.00 H new ATOM 0 HA SER A 5 15.825 -8.181 8.294 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.955 -8.963 6.016 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.524 -7.343 6.366 1.00 0.00 H new ATOM 0 HG SER A 5 15.777 -8.374 4.710 1.00 0.00 H new ATOM 48 N SER A 6 13.783 -7.510 9.519 1.00 0.00 N ATOM 49 CA SER A 6 12.638 -7.169 10.355 1.00 0.00 C ATOM 50 C SER A 6 12.221 -5.717 10.140 1.00 0.00 C ATOM 51 O SER A 6 13.033 -4.802 10.263 1.00 0.00 O ATOM 52 CB SER A 6 12.968 -7.403 11.830 1.00 0.00 C ATOM 53 OG SER A 6 11.850 -7.123 12.654 1.00 0.00 O ATOM 0 H SER A 6 14.585 -6.889 9.628 1.00 0.00 H new ATOM 0 HA SER A 6 11.807 -7.814 10.069 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.281 -8.437 11.976 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.807 -6.771 12.123 1.00 0.00 H new ATOM 0 HG SER A 6 12.087 -7.282 13.592 1.00 0.00 H new ATOM 59 N GLY A 7 10.947 -5.515 9.817 1.00 0.00 N ATOM 60 CA GLY A 7 10.443 -4.173 9.589 1.00 0.00 C ATOM 61 C GLY A 7 8.951 -4.065 9.834 1.00 0.00 C ATOM 62 O GLY A 7 8.520 -3.666 10.916 1.00 0.00 O ATOM 0 H GLY A 7 10.255 -6.257 9.709 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.967 -3.476 10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.662 -3.875 8.564 1.00 0.00 H new ATOM 66 N SER A 8 8.160 -4.418 8.826 1.00 0.00 N ATOM 67 CA SER A 8 6.708 -4.353 8.935 1.00 0.00 C ATOM 68 C SER A 8 6.280 -3.160 9.784 1.00 0.00 C ATOM 69 O SER A 8 5.269 -3.214 10.484 1.00 0.00 O ATOM 70 CB SER A 8 6.162 -5.648 9.542 1.00 0.00 C ATOM 71 OG SER A 8 4.858 -5.926 9.062 1.00 0.00 O ATOM 0 H SER A 8 8.501 -4.752 7.924 1.00 0.00 H new ATOM 0 HA SER A 8 6.298 -4.229 7.933 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.827 -6.476 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.143 -5.564 10.629 1.00 0.00 H new ATOM 0 HG SER A 8 4.532 -6.758 9.464 1.00 0.00 H new ATOM 77 N GLU A 9 7.057 -2.084 9.715 1.00 0.00 N ATOM 78 CA GLU A 9 6.759 -0.877 10.478 1.00 0.00 C ATOM 79 C GLU A 9 5.856 0.060 9.682 1.00 0.00 C ATOM 80 O GLU A 9 5.129 0.873 10.253 1.00 0.00 O ATOM 81 CB GLU A 9 8.053 -0.155 10.859 1.00 0.00 C ATOM 82 CG GLU A 9 7.826 1.135 11.629 1.00 0.00 C ATOM 83 CD GLU A 9 8.992 1.489 12.531 1.00 0.00 C ATOM 84 OE1 GLU A 9 9.709 0.564 12.965 1.00 0.00 O ATOM 85 OE2 GLU A 9 9.188 2.692 12.801 1.00 0.00 O ATOM 0 H GLU A 9 7.897 -2.023 9.139 1.00 0.00 H new ATOM 0 HA GLU A 9 6.236 -1.173 11.387 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.669 -0.824 11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.616 0.067 9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.656 1.949 10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.922 1.040 12.230 1.00 0.00 H new ATOM 92 N ALA A 10 5.909 -0.058 8.359 1.00 0.00 N ATOM 93 CA ALA A 10 5.095 0.777 7.484 1.00 0.00 C ATOM 94 C ALA A 10 3.618 0.678 7.848 1.00 0.00 C ATOM 95 O ALA A 10 2.829 1.566 7.525 1.00 0.00 O ATOM 96 CB ALA A 10 5.310 0.383 6.030 1.00 0.00 C ATOM 0 H ALA A 10 6.507 -0.724 7.870 1.00 0.00 H new ATOM 0 HA ALA A 10 5.406 1.813 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.696 1.014 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.360 0.512 5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.027 -0.660 5.890 1.00 0.00 H new ATOM 102 N TRP A 11 3.251 -0.406 8.521 1.00 0.00 N ATOM 103 CA TRP A 11 1.867 -0.620 8.929 1.00 0.00 C ATOM 104 C TRP A 11 1.336 0.580 9.704 1.00 0.00 C ATOM 105 O TRP A 11 0.132 0.834 9.722 1.00 0.00 O ATOM 106 CB TRP A 11 1.755 -1.885 9.783 1.00 0.00 C ATOM 107 CG TRP A 11 1.565 -3.132 8.974 1.00 0.00 C ATOM 108 CD1 TRP A 11 2.427 -4.188 8.881 1.00 0.00 C ATOM 109 CD2 TRP A 11 0.444 -3.453 8.144 1.00 0.00 C ATOM 110 NE1 TRP A 11 1.909 -5.145 8.043 1.00 0.00 N ATOM 111 CE2 TRP A 11 0.693 -4.719 7.578 1.00 0.00 C ATOM 112 CE3 TRP A 11 -0.747 -2.795 7.824 1.00 0.00 C ATOM 113 CZ2 TRP A 11 -0.205 -5.337 6.712 1.00 0.00 C ATOM 114 CZ3 TRP A 11 -1.637 -3.409 6.964 1.00 0.00 C ATOM 115 CH2 TRP A 11 -1.363 -4.670 6.416 1.00 0.00 C ATOM 0 H TRP A 11 3.892 -1.150 8.796 1.00 0.00 H new ATOM 0 HA TRP A 11 1.264 -0.743 8.029 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.656 -1.987 10.389 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.918 -1.777 10.472 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.376 -4.260 9.391 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.357 -6.030 7.805 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.968 -1.824 8.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.005 -6.308 6.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.560 -2.909 6.709 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.079 -5.124 5.747 1.00 0.00 H new ATOM 126 N GLU A 12 2.241 1.315 10.343 1.00 0.00 N ATOM 127 CA GLU A 12 1.861 2.488 11.121 1.00 0.00 C ATOM 128 C GLU A 12 1.165 3.522 10.240 1.00 0.00 C ATOM 129 O GLU A 12 0.446 4.391 10.734 1.00 0.00 O ATOM 130 CB GLU A 12 3.093 3.111 11.781 1.00 0.00 C ATOM 131 CG GLU A 12 3.782 2.191 12.774 1.00 0.00 C ATOM 132 CD GLU A 12 4.747 2.929 13.681 1.00 0.00 C ATOM 133 OE1 GLU A 12 5.434 3.850 13.191 1.00 0.00 O ATOM 134 OE2 GLU A 12 4.817 2.586 14.880 1.00 0.00 O ATOM 0 H GLU A 12 3.242 1.119 10.337 1.00 0.00 H new ATOM 0 HA GLU A 12 1.165 2.168 11.897 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.805 3.394 11.006 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.797 4.027 12.292 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.029 1.690 13.382 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.321 1.415 12.231 1.00 0.00 H new ATOM 141 N TYR A 13 1.385 3.422 8.934 1.00 0.00 N ATOM 142 CA TYR A 13 0.782 4.349 7.984 1.00 0.00 C ATOM 143 C TYR A 13 -0.373 3.690 7.237 1.00 0.00 C ATOM 144 O TYR A 13 -0.798 4.164 6.183 1.00 0.00 O ATOM 145 CB TYR A 13 1.831 4.846 6.988 1.00 0.00 C ATOM 146 CG TYR A 13 3.109 5.321 7.641 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.153 4.439 7.894 1.00 0.00 C ATOM 148 CD2 TYR A 13 3.274 6.652 8.004 1.00 0.00 C ATOM 149 CE1 TYR A 13 5.322 4.869 8.492 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.440 7.091 8.600 1.00 0.00 C ATOM 151 CZ TYR A 13 5.461 6.195 8.843 1.00 0.00 C ATOM 152 OH TYR A 13 6.625 6.627 9.437 1.00 0.00 O ATOM 0 H TYR A 13 1.977 2.708 8.509 1.00 0.00 H new ATOM 0 HA TYR A 13 0.391 5.199 8.544 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.066 4.043 6.290 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.407 5.662 6.403 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.049 3.400 7.618 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.476 7.356 7.817 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.123 4.170 8.683 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.552 8.130 8.874 1.00 0.00 H new ATOM 0 HH TYR A 13 6.562 7.588 9.620 1.00 0.00 H new ATOM 162 N PHE A 14 -0.878 2.592 7.791 1.00 0.00 N ATOM 163 CA PHE A 14 -1.984 1.865 7.178 1.00 0.00 C ATOM 164 C PHE A 14 -2.823 1.158 8.238 1.00 0.00 C ATOM 165 O PHE A 14 -2.326 0.810 9.310 1.00 0.00 O ATOM 166 CB PHE A 14 -1.454 0.847 6.167 1.00 0.00 C ATOM 167 CG PHE A 14 -0.687 1.469 5.035 1.00 0.00 C ATOM 168 CD1 PHE A 14 0.642 1.824 5.194 1.00 0.00 C ATOM 169 CD2 PHE A 14 -1.296 1.698 3.812 1.00 0.00 C ATOM 170 CE1 PHE A 14 1.351 2.397 4.155 1.00 0.00 C ATOM 171 CE2 PHE A 14 -0.593 2.269 2.768 1.00 0.00 C ATOM 172 CZ PHE A 14 0.732 2.620 2.940 1.00 0.00 C ATOM 0 H PHE A 14 -0.539 2.186 8.663 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.617 2.585 6.660 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.810 0.135 6.684 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.292 0.281 5.760 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.131 1.651 6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.332 1.427 3.673 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.387 2.670 4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.079 2.441 1.819 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.283 3.068 2.126 1.00 0.00 H new ATOM 182 N HIS A 15 -4.099 0.948 7.931 1.00 0.00 N ATOM 183 CA HIS A 15 -5.009 0.282 8.857 1.00 0.00 C ATOM 184 C HIS A 15 -5.953 -0.655 8.110 1.00 0.00 C ATOM 185 O HIS A 15 -6.688 -0.232 7.218 1.00 0.00 O ATOM 186 CB HIS A 15 -5.815 1.315 9.644 1.00 0.00 C ATOM 187 CG HIS A 15 -7.138 1.643 9.023 1.00 0.00 C ATOM 188 ND1 HIS A 15 -8.180 0.743 8.952 1.00 0.00 N ATOM 189 CD2 HIS A 15 -7.586 2.781 8.444 1.00 0.00 C ATOM 190 CE1 HIS A 15 -9.211 1.312 8.355 1.00 0.00 C ATOM 191 NE2 HIS A 15 -8.877 2.550 8.037 1.00 0.00 N ATOM 0 H HIS A 15 -4.526 1.229 7.049 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.413 -0.309 9.552 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.980 0.942 10.655 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.229 2.229 9.734 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -8.158 -0.213 9.306 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.031 3.700 8.324 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.165 0.845 8.160 1.00 0.00 H new ATOM 199 N LEU A 16 -5.926 -1.931 8.480 1.00 0.00 N ATOM 200 CA LEU A 16 -6.779 -2.930 7.845 1.00 0.00 C ATOM 201 C LEU A 16 -8.252 -2.634 8.107 1.00 0.00 C ATOM 202 O LEU A 16 -8.624 -2.202 9.198 1.00 0.00 O ATOM 203 CB LEU A 16 -6.429 -4.328 8.357 1.00 0.00 C ATOM 204 CG LEU A 16 -5.070 -4.880 7.926 1.00 0.00 C ATOM 205 CD1 LEU A 16 -4.637 -6.012 8.845 1.00 0.00 C ATOM 206 CD2 LEU A 16 -5.120 -5.354 6.481 1.00 0.00 C ATOM 0 H LEU A 16 -5.323 -2.298 9.216 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.605 -2.890 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.464 -4.313 9.446 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.202 -5.020 8.023 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.335 -4.078 7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.668 -6.392 8.522 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.560 -5.641 9.867 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.373 -6.815 8.805 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.144 -5.744 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.868 -6.140 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.384 -4.518 5.833 1.00 0.00 H new ATOM 218 N ALA A 17 -9.087 -2.872 7.100 1.00 0.00 N ATOM 219 CA ALA A 17 -10.520 -2.635 7.224 1.00 0.00 C ATOM 220 C ALA A 17 -11.258 -3.917 7.592 1.00 0.00 C ATOM 221 O ALA A 17 -10.919 -5.010 7.138 1.00 0.00 O ATOM 222 CB ALA A 17 -11.073 -2.059 5.928 1.00 0.00 C ATOM 0 H ALA A 17 -8.795 -3.229 6.190 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.676 -1.914 8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.144 -1.887 6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.574 -1.116 5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.898 -2.762 5.113 1.00 0.00 H new ATOM 228 N PRO A 18 -12.292 -3.783 8.436 1.00 0.00 N ATOM 229 CA PRO A 18 -13.100 -4.921 8.885 1.00 0.00 C ATOM 230 C PRO A 18 -13.961 -5.497 7.766 1.00 0.00 C ATOM 231 O PRO A 18 -14.322 -4.794 6.823 1.00 0.00 O ATOM 232 CB PRO A 18 -13.982 -4.319 9.982 1.00 0.00 C ATOM 233 CG PRO A 18 -14.071 -2.871 9.645 1.00 0.00 C ATOM 234 CD PRO A 18 -12.753 -2.510 9.017 1.00 0.00 C ATOM 0 HA PRO A 18 -12.481 -5.752 9.224 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.968 -4.783 9.996 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.544 -4.470 10.969 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.896 -2.680 8.958 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.255 -2.273 10.538 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.869 -1.739 8.255 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.048 -2.126 9.755 1.00 0.00 H new ATOM 242 N ALA A 19 -14.288 -6.781 7.878 1.00 0.00 N ATOM 243 CA ALA A 19 -15.108 -7.451 6.877 1.00 0.00 C ATOM 244 C ALA A 19 -16.299 -8.151 7.523 1.00 0.00 C ATOM 245 O ALA A 19 -16.130 -9.069 8.326 1.00 0.00 O ATOM 246 CB ALA A 19 -14.271 -8.447 6.089 1.00 0.00 C ATOM 0 H ALA A 19 -13.997 -7.377 8.653 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.492 -6.695 6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.897 -8.940 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.457 -7.923 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.859 -9.193 6.768 1.00 0.00 H new ATOM 252 N ARG A 20 -17.502 -7.713 7.168 1.00 0.00 N ATOM 253 CA ARG A 20 -18.720 -8.297 7.715 1.00 0.00 C ATOM 254 C ARG A 20 -19.171 -9.493 6.882 1.00 0.00 C ATOM 255 O ARG A 20 -20.367 -9.740 6.728 1.00 0.00 O ATOM 256 CB ARG A 20 -19.835 -7.250 7.767 1.00 0.00 C ATOM 257 CG ARG A 20 -20.157 -6.636 6.415 1.00 0.00 C ATOM 258 CD ARG A 20 -21.386 -5.743 6.487 1.00 0.00 C ATOM 259 NE ARG A 20 -22.061 -5.634 5.197 1.00 0.00 N ATOM 260 CZ ARG A 20 -22.841 -4.613 4.859 1.00 0.00 C ATOM 261 NH1 ARG A 20 -23.042 -3.618 5.711 1.00 0.00 N ATOM 262 NH2 ARG A 20 -23.420 -4.587 3.665 1.00 0.00 N ATOM 0 H ARG A 20 -17.659 -6.955 6.504 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.505 -8.640 8.727 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -20.736 -7.711 8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -19.546 -6.457 8.457 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.304 -6.055 6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.324 -7.428 5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -22.080 -6.141 7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.093 -4.750 6.827 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.926 -6.383 4.518 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -22.597 -3.635 6.629 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -23.641 -2.835 5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.266 -5.351 3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -24.019 -3.803 3.406 1.00 0.00 H new ATOM 276 N ALA A 21 -18.205 -10.232 6.346 1.00 0.00 N ATOM 277 CA ALA A 21 -18.502 -11.403 5.530 1.00 0.00 C ATOM 278 C ALA A 21 -17.425 -12.471 5.690 1.00 0.00 C ATOM 279 O ALA A 21 -16.403 -12.244 6.336 1.00 0.00 O ATOM 280 CB ALA A 21 -18.642 -11.006 4.068 1.00 0.00 C ATOM 0 H ALA A 21 -17.210 -10.040 6.462 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.447 -11.824 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -18.864 -11.890 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.452 -10.285 3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -17.710 -10.558 3.722 1.00 0.00 H new ATOM 286 N GLY A 22 -17.661 -13.637 5.096 1.00 0.00 N ATOM 287 CA GLY A 22 -16.703 -14.723 5.186 1.00 0.00 C ATOM 288 C GLY A 22 -15.326 -14.322 4.695 1.00 0.00 C ATOM 289 O GLY A 22 -14.315 -14.667 5.308 1.00 0.00 O ATOM 0 H GLY A 22 -18.499 -13.849 4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.633 -15.057 6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.062 -15.570 4.601 1.00 0.00 H new ATOM 293 N HIS A 23 -15.284 -13.593 3.584 1.00 0.00 N ATOM 294 CA HIS A 23 -14.020 -13.145 3.010 1.00 0.00 C ATOM 295 C HIS A 23 -13.049 -12.714 4.105 1.00 0.00 C ATOM 296 O HIS A 23 -13.422 -11.995 5.032 1.00 0.00 O ATOM 297 CB HIS A 23 -14.258 -11.989 2.039 1.00 0.00 C ATOM 298 CG HIS A 23 -14.801 -12.422 0.712 1.00 0.00 C ATOM 299 ND1 HIS A 23 -14.092 -13.209 -0.171 1.00 0.00 N ATOM 300 CD2 HIS A 23 -15.993 -12.177 0.121 1.00 0.00 C ATOM 301 CE1 HIS A 23 -14.823 -13.426 -1.249 1.00 0.00 C ATOM 302 NE2 HIS A 23 -15.982 -12.812 -1.097 1.00 0.00 N ATOM 0 H HIS A 23 -16.111 -13.300 3.063 1.00 0.00 H new ATOM 0 HA HIS A 23 -13.579 -13.981 2.466 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -14.952 -11.282 2.493 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.319 -11.458 1.882 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -16.803 -11.591 0.531 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.524 -14.007 -2.109 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -16.745 -12.810 -1.774 1.00 0.00 H new ATOM 310 N HIS A 24 -11.801 -13.159 3.991 1.00 0.00 N ATOM 311 CA HIS A 24 -10.776 -12.820 4.972 1.00 0.00 C ATOM 312 C HIS A 24 -10.848 -11.342 5.343 1.00 0.00 C ATOM 313 O HIS A 24 -11.082 -10.475 4.500 1.00 0.00 O ATOM 314 CB HIS A 24 -9.387 -13.153 4.425 1.00 0.00 C ATOM 315 CG HIS A 24 -8.403 -13.540 5.486 1.00 0.00 C ATOM 316 ND1 HIS A 24 -7.299 -12.777 5.802 1.00 0.00 N ATOM 317 CD2 HIS A 24 -8.363 -14.616 6.307 1.00 0.00 C ATOM 318 CE1 HIS A 24 -6.621 -13.368 6.770 1.00 0.00 C ATOM 319 NE2 HIS A 24 -7.246 -14.485 7.095 1.00 0.00 N ATOM 0 H HIS A 24 -11.476 -13.755 3.230 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.957 -13.412 5.870 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.474 -13.968 3.707 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.003 -12.290 3.882 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -9.077 -15.426 6.337 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.710 -13.000 7.219 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.948 -15.144 7.814 1.00 0.00 H new ATOM 327 N PRO A 25 -10.643 -11.045 6.635 1.00 0.00 N ATOM 328 CA PRO A 25 -10.679 -9.672 7.147 1.00 0.00 C ATOM 329 C PRO A 25 -9.494 -8.842 6.667 1.00 0.00 C ATOM 330 O PRO A 25 -9.583 -7.619 6.560 1.00 0.00 O ATOM 331 CB PRO A 25 -10.622 -9.858 8.665 1.00 0.00 C ATOM 332 CG PRO A 25 -9.945 -11.171 8.861 1.00 0.00 C ATOM 333 CD PRO A 25 -10.358 -12.027 7.695 1.00 0.00 C ATOM 0 HA PRO A 25 -11.561 -9.132 6.803 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.066 -9.051 9.142 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.621 -9.859 9.102 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.862 -11.051 8.893 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.243 -11.627 9.805 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.566 -12.716 7.402 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.235 -12.630 7.930 1.00 0.00 H new ATOM 341 N ASN A 26 -8.385 -9.515 6.378 1.00 0.00 N ATOM 342 CA ASN A 26 -7.181 -8.838 5.908 1.00 0.00 C ATOM 343 C ASN A 26 -7.069 -8.919 4.389 1.00 0.00 C ATOM 344 O ASN A 26 -6.194 -9.601 3.857 1.00 0.00 O ATOM 345 CB ASN A 26 -5.939 -9.454 6.556 1.00 0.00 C ATOM 346 CG ASN A 26 -6.210 -9.960 7.960 1.00 0.00 C ATOM 347 OD1 ASN A 26 -5.852 -11.087 8.305 1.00 0.00 O ATOM 348 ND2 ASN A 26 -6.846 -9.128 8.776 1.00 0.00 N ATOM 0 H ASN A 26 -8.295 -10.528 6.461 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.249 -7.788 6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.581 -10.278 5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.143 -8.710 6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.057 -9.413 9.732 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.124 -8.203 8.447 1.00 0.00 H new ATOM 355 N GLN A 27 -7.961 -8.217 3.697 1.00 0.00 N ATOM 356 CA GLN A 27 -7.962 -8.210 2.239 1.00 0.00 C ATOM 357 C GLN A 27 -7.204 -7.001 1.700 1.00 0.00 C ATOM 358 O GLN A 27 -6.349 -7.132 0.824 1.00 0.00 O ATOM 359 CB GLN A 27 -9.397 -8.206 1.709 1.00 0.00 C ATOM 360 CG GLN A 27 -10.217 -7.018 2.184 1.00 0.00 C ATOM 361 CD GLN A 27 -11.691 -7.157 1.856 1.00 0.00 C ATOM 362 OE1 GLN A 27 -12.530 -7.270 2.751 1.00 0.00 O ATOM 363 NE2 GLN A 27 -12.014 -7.150 0.568 1.00 0.00 N ATOM 0 H GLN A 27 -8.692 -7.646 4.122 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.458 -9.114 1.896 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.373 -8.208 0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.893 -9.126 2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.098 -6.907 3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.831 -6.108 1.725 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.286 -7.054 -0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.990 -7.241 0.287 1.00 0.00 H new ATOM 372 N TYR A 28 -7.524 -5.825 2.229 1.00 0.00 N ATOM 373 CA TYR A 28 -6.876 -4.592 1.799 1.00 0.00 C ATOM 374 C TYR A 28 -6.427 -3.765 3.000 1.00 0.00 C ATOM 375 O TYR A 28 -6.796 -4.053 4.138 1.00 0.00 O ATOM 376 CB TYR A 28 -7.825 -3.770 0.925 1.00 0.00 C ATOM 377 CG TYR A 28 -7.858 -4.216 -0.519 1.00 0.00 C ATOM 378 CD1 TYR A 28 -8.750 -5.193 -0.945 1.00 0.00 C ATOM 379 CD2 TYR A 28 -6.998 -3.661 -1.458 1.00 0.00 C ATOM 380 CE1 TYR A 28 -8.784 -5.604 -2.263 1.00 0.00 C ATOM 381 CE2 TYR A 28 -7.025 -4.065 -2.779 1.00 0.00 C ATOM 382 CZ TYR A 28 -7.919 -5.037 -3.176 1.00 0.00 C ATOM 383 OH TYR A 28 -7.950 -5.443 -4.491 1.00 0.00 O ATOM 0 H TYR A 28 -8.228 -5.700 2.956 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.995 -4.859 1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.832 -3.832 1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.527 -2.722 0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.429 -5.639 -0.233 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.296 -2.900 -1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.483 -6.365 -2.577 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.350 -3.622 -3.496 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.279 -4.945 -5.003 1.00 0.00 H new ATOM 393 N ALA A 29 -5.629 -2.736 2.736 1.00 0.00 N ATOM 394 CA ALA A 29 -5.131 -1.865 3.794 1.00 0.00 C ATOM 395 C ALA A 29 -5.457 -0.404 3.500 1.00 0.00 C ATOM 396 O ALA A 29 -5.384 0.041 2.354 1.00 0.00 O ATOM 397 CB ALA A 29 -3.631 -2.049 3.966 1.00 0.00 C ATOM 0 H ALA A 29 -5.313 -2.485 1.799 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.629 -2.141 4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.272 -1.393 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.419 -3.085 4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.125 -1.801 3.033 1.00 0.00 H new ATOM 403 N THR A 30 -5.818 0.338 4.542 1.00 0.00 N ATOM 404 CA THR A 30 -6.157 1.748 4.396 1.00 0.00 C ATOM 405 C THR A 30 -5.010 2.640 4.858 1.00 0.00 C ATOM 406 O THR A 30 -4.704 2.709 6.048 1.00 0.00 O ATOM 407 CB THR A 30 -7.424 2.107 5.194 1.00 0.00 C ATOM 408 OG1 THR A 30 -8.458 1.153 4.926 1.00 0.00 O ATOM 409 CG2 THR A 30 -7.911 3.503 4.838 1.00 0.00 C ATOM 0 H THR A 30 -5.883 -0.014 5.497 1.00 0.00 H new ATOM 0 HA THR A 30 -6.343 1.920 3.336 1.00 0.00 H new ATOM 0 HB THR A 30 -7.176 2.086 6.255 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.816 1.303 4.026 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.807 3.734 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.133 4.230 5.070 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.143 3.547 3.774 1.00 0.00 H new ATOM 417 N CYS A 31 -4.378 3.322 3.909 1.00 0.00 N ATOM 418 CA CYS A 31 -3.264 4.211 4.217 1.00 0.00 C ATOM 419 C CYS A 31 -3.713 5.347 5.132 1.00 0.00 C ATOM 420 O CYS A 31 -4.485 6.216 4.727 1.00 0.00 O ATOM 421 CB CYS A 31 -2.669 4.783 2.930 1.00 0.00 C ATOM 422 SG CYS A 31 -0.927 5.295 3.079 1.00 0.00 S ATOM 0 H CYS A 31 -4.619 3.276 2.919 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.500 3.630 4.735 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.750 4.035 2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.263 5.642 2.618 1.00 0.00 H new ATOM 427 N ARG A 32 -3.223 5.333 6.368 1.00 0.00 N ATOM 428 CA ARG A 32 -3.573 6.361 7.341 1.00 0.00 C ATOM 429 C ARG A 32 -2.914 7.691 6.988 1.00 0.00 C ATOM 430 O ARG A 32 -3.150 8.706 7.643 1.00 0.00 O ATOM 431 CB ARG A 32 -3.153 5.927 8.746 1.00 0.00 C ATOM 432 CG ARG A 32 -3.790 4.623 9.198 1.00 0.00 C ATOM 433 CD ARG A 32 -3.365 4.256 10.611 1.00 0.00 C ATOM 434 NE ARG A 32 -3.972 5.132 11.610 1.00 0.00 N ATOM 435 CZ ARG A 32 -3.448 6.293 11.986 1.00 0.00 C ATOM 436 NH1 ARG A 32 -2.312 6.715 11.448 1.00 0.00 N ATOM 437 NH2 ARG A 32 -4.059 7.033 12.901 1.00 0.00 N ATOM 0 H ARG A 32 -2.582 4.621 6.719 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.655 6.495 7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.069 5.821 8.775 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.415 6.714 9.453 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.875 4.713 9.155 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.509 3.823 8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.645 3.223 10.817 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.279 4.314 10.690 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.847 4.836 12.043 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.839 6.148 10.744 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.911 7.607 11.738 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.933 6.711 13.317 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.655 7.924 13.189 1.00 0.00 H new ATOM 451 N LEU A 33 -2.086 7.677 5.949 1.00 0.00 N ATOM 452 CA LEU A 33 -1.391 8.882 5.509 1.00 0.00 C ATOM 453 C LEU A 33 -2.239 9.667 4.513 1.00 0.00 C ATOM 454 O LEU A 33 -2.520 10.848 4.717 1.00 0.00 O ATOM 455 CB LEU A 33 -0.047 8.517 4.875 1.00 0.00 C ATOM 456 CG LEU A 33 1.125 8.341 5.841 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.364 7.871 5.096 1.00 0.00 C ATOM 458 CD2 LEU A 33 1.406 9.642 6.580 1.00 0.00 C ATOM 0 H LEU A 33 -1.880 6.845 5.396 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.215 9.510 6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.172 7.591 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.215 9.292 4.155 1.00 0.00 H new ATOM 0 HG LEU A 33 0.857 7.580 6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.188 7.751 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.158 6.916 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.636 8.608 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.243 9.499 7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.654 10.423 5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.522 9.937 7.146 1.00 0.00 H new ATOM 470 N CYS A 34 -2.646 9.002 3.437 1.00 0.00 N ATOM 471 CA CYS A 34 -3.465 9.635 2.410 1.00 0.00 C ATOM 472 C CYS A 34 -4.891 9.094 2.441 1.00 0.00 C ATOM 473 O CYS A 34 -5.849 9.825 2.194 1.00 0.00 O ATOM 474 CB CYS A 34 -2.850 9.408 1.028 1.00 0.00 C ATOM 475 SG CYS A 34 -2.650 7.653 0.582 1.00 0.00 S ATOM 0 H CYS A 34 -2.422 8.024 3.254 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.498 10.705 2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.476 9.893 0.279 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.875 9.894 0.992 1.00 0.00 H new ATOM 480 N GLY A 35 -5.023 7.806 2.745 1.00 0.00 N ATOM 481 CA GLY A 35 -6.335 7.189 2.802 1.00 0.00 C ATOM 482 C GLY A 35 -6.633 6.347 1.578 1.00 0.00 C ATOM 483 O GLY A 35 -7.791 6.195 1.187 1.00 0.00 O ATOM 0 H GLY A 35 -4.245 7.180 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.401 6.565 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.094 7.965 2.899 1.00 0.00 H new ATOM 487 N ARG A 36 -5.587 5.799 0.969 1.00 0.00 N ATOM 488 CA ARG A 36 -5.742 4.971 -0.221 1.00 0.00 C ATOM 489 C ARG A 36 -5.698 3.489 0.139 1.00 0.00 C ATOM 490 O ARG A 36 -4.982 3.084 1.055 1.00 0.00 O ATOM 491 CB ARG A 36 -4.646 5.292 -1.239 1.00 0.00 C ATOM 492 CG ARG A 36 -4.980 6.467 -2.143 1.00 0.00 C ATOM 493 CD ARG A 36 -4.120 6.467 -3.397 1.00 0.00 C ATOM 494 NE ARG A 36 -4.445 7.581 -4.284 1.00 0.00 N ATOM 495 CZ ARG A 36 -3.711 7.919 -5.338 1.00 0.00 C ATOM 496 NH1 ARG A 36 -2.617 7.232 -5.636 1.00 0.00 N ATOM 497 NH2 ARG A 36 -4.072 8.946 -6.097 1.00 0.00 N ATOM 0 H ARG A 36 -4.622 5.913 1.280 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.714 5.192 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.719 5.506 -0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.464 4.411 -1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.033 6.425 -2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.832 7.400 -1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.069 6.523 -3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.258 5.527 -3.931 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.281 8.129 -4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.337 6.442 -5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.055 7.494 -6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.914 9.476 -5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.508 9.205 -6.906 1.00 0.00 H new ATOM 511 N GLN A 37 -6.469 2.686 -0.587 1.00 0.00 N ATOM 512 CA GLN A 37 -6.519 1.249 -0.343 1.00 0.00 C ATOM 513 C GLN A 37 -5.372 0.536 -1.051 1.00 0.00 C ATOM 514 O GLN A 37 -5.229 0.628 -2.271 1.00 0.00 O ATOM 515 CB GLN A 37 -7.858 0.676 -0.812 1.00 0.00 C ATOM 516 CG GLN A 37 -9.064 1.380 -0.211 1.00 0.00 C ATOM 517 CD GLN A 37 -9.189 1.150 1.283 1.00 0.00 C ATOM 518 OE1 GLN A 37 -9.153 2.094 2.073 1.00 0.00 O ATOM 519 NE2 GLN A 37 -9.337 -0.109 1.678 1.00 0.00 N ATOM 0 H GLN A 37 -7.067 3.006 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.418 1.085 0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.912 0.744 -1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.901 -0.383 -0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.990 2.450 -0.405 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.969 1.028 -0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.361 -0.860 0.989 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.426 -0.325 2.671 1.00 0.00 H new ATOM 528 N VAL A 38 -4.555 -0.174 -0.279 1.00 0.00 N ATOM 529 CA VAL A 38 -3.421 -0.903 -0.832 1.00 0.00 C ATOM 530 C VAL A 38 -3.467 -2.375 -0.438 1.00 0.00 C ATOM 531 O VAL A 38 -3.604 -2.708 0.739 1.00 0.00 O ATOM 532 CB VAL A 38 -2.083 -0.299 -0.364 1.00 0.00 C ATOM 533 CG1 VAL A 38 -0.917 -1.152 -0.840 1.00 0.00 C ATOM 534 CG2 VAL A 38 -1.943 1.133 -0.857 1.00 0.00 C ATOM 0 H VAL A 38 -4.658 -0.259 0.732 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.490 -0.819 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.072 -0.286 0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.020 -0.710 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.012 -2.158 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.922 -1.200 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.992 1.544 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.976 1.148 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.761 1.736 -0.461 1.00 0.00 H new ATOM 544 N SER A 39 -3.352 -3.252 -1.430 1.00 0.00 N ATOM 545 CA SER A 39 -3.385 -4.689 -1.187 1.00 0.00 C ATOM 546 C SER A 39 -1.990 -5.217 -0.864 1.00 0.00 C ATOM 547 O SER A 39 -0.988 -4.545 -1.107 1.00 0.00 O ATOM 548 CB SER A 39 -3.950 -5.421 -2.405 1.00 0.00 C ATOM 549 OG SER A 39 -4.439 -6.703 -2.049 1.00 0.00 O ATOM 0 H SER A 39 -3.235 -2.992 -2.409 1.00 0.00 H new ATOM 0 HA SER A 39 -4.032 -4.873 -0.329 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.754 -4.832 -2.847 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.175 -5.522 -3.164 1.00 0.00 H new ATOM 0 HG SER A 39 -4.796 -7.149 -2.845 1.00 0.00 H new ATOM 555 N ARG A 40 -1.935 -6.426 -0.314 1.00 0.00 N ATOM 556 CA ARG A 40 -0.664 -7.045 0.044 1.00 0.00 C ATOM 557 C ARG A 40 -0.258 -8.090 -0.990 1.00 0.00 C ATOM 558 O ARG A 40 0.779 -7.966 -1.639 1.00 0.00 O ATOM 559 CB ARG A 40 -0.759 -7.690 1.428 1.00 0.00 C ATOM 560 CG ARG A 40 -1.140 -6.716 2.530 1.00 0.00 C ATOM 561 CD ARG A 40 -1.060 -7.367 3.902 1.00 0.00 C ATOM 562 NE ARG A 40 -2.111 -8.362 4.097 1.00 0.00 N ATOM 563 CZ ARG A 40 -2.290 -9.030 5.232 1.00 0.00 C ATOM 564 NH1 ARG A 40 -1.491 -8.809 6.267 1.00 0.00 N ATOM 565 NH2 ARG A 40 -3.268 -9.920 5.332 1.00 0.00 N ATOM 0 H ARG A 40 -2.755 -6.996 -0.107 1.00 0.00 H new ATOM 0 HA ARG A 40 0.098 -6.266 0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.495 -8.494 1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.200 -8.146 1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.478 -5.851 2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.152 -6.349 2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.086 -7.840 4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.139 -6.600 4.672 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.742 -8.555 3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.738 -8.125 6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.630 -9.323 7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.884 -10.093 4.537 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.404 -10.432 6.204 1.00 0.00 H new ATOM 579 N GLY A 41 -1.085 -9.122 -1.138 1.00 0.00 N ATOM 580 CA GLY A 41 -0.794 -10.174 -2.094 1.00 0.00 C ATOM 581 C GLY A 41 0.231 -11.163 -1.574 1.00 0.00 C ATOM 582 O GLY A 41 0.805 -10.987 -0.499 1.00 0.00 O ATOM 0 H GLY A 41 -1.950 -9.247 -0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.715 -10.704 -2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.428 -9.729 -3.019 1.00 0.00 H new ATOM 586 N PRO A 42 0.472 -12.232 -2.347 1.00 0.00 N ATOM 587 CA PRO A 42 1.434 -13.274 -1.978 1.00 0.00 C ATOM 588 C PRO A 42 2.876 -12.781 -2.042 1.00 0.00 C ATOM 589 O PRO A 42 3.368 -12.407 -3.105 1.00 0.00 O ATOM 590 CB PRO A 42 1.196 -14.364 -3.026 1.00 0.00 C ATOM 591 CG PRO A 42 0.632 -13.643 -4.201 1.00 0.00 C ATOM 592 CD PRO A 42 -0.176 -12.506 -3.641 1.00 0.00 C ATOM 0 HA PRO A 42 1.294 -13.612 -0.951 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.124 -14.875 -3.283 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.505 -15.123 -2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.426 -13.275 -4.851 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.009 -14.305 -4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.151 -11.635 -4.295 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.223 -12.781 -3.516 1.00 0.00 H new ATOM 600 N GLY A 43 3.548 -12.783 -0.895 1.00 0.00 N ATOM 601 CA GLY A 43 4.927 -12.334 -0.843 1.00 0.00 C ATOM 602 C GLY A 43 5.154 -11.280 0.223 1.00 0.00 C ATOM 603 O GLY A 43 6.256 -11.153 0.757 1.00 0.00 O ATOM 0 H GLY A 43 3.162 -13.087 -0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.577 -13.188 -0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.211 -11.931 -1.815 1.00 0.00 H new ATOM 607 N VAL A 44 4.108 -10.520 0.533 1.00 0.00 N ATOM 608 CA VAL A 44 4.198 -9.470 1.541 1.00 0.00 C ATOM 609 C VAL A 44 4.719 -10.022 2.863 1.00 0.00 C ATOM 610 O VAL A 44 5.257 -9.283 3.687 1.00 0.00 O ATOM 611 CB VAL A 44 2.831 -8.802 1.779 1.00 0.00 C ATOM 612 CG1 VAL A 44 1.867 -9.777 2.438 1.00 0.00 C ATOM 613 CG2 VAL A 44 2.992 -7.547 2.623 1.00 0.00 C ATOM 0 H VAL A 44 3.189 -10.612 0.101 1.00 0.00 H new ATOM 0 HA VAL A 44 4.897 -8.725 1.161 1.00 0.00 H new ATOM 0 HB VAL A 44 2.414 -8.513 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.907 -9.287 2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.729 -10.644 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.274 -10.099 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.016 -7.088 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.430 -7.810 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.645 -6.843 2.107 1.00 0.00 H new ATOM 623 N ASN A 45 4.556 -11.327 3.059 1.00 0.00 N ATOM 624 CA ASN A 45 5.011 -11.978 4.282 1.00 0.00 C ATOM 625 C ASN A 45 6.491 -11.704 4.528 1.00 0.00 C ATOM 626 O ASN A 45 6.894 -11.363 5.640 1.00 0.00 O ATOM 627 CB ASN A 45 4.767 -13.487 4.202 1.00 0.00 C ATOM 628 CG ASN A 45 4.957 -14.029 2.799 1.00 0.00 C ATOM 629 OD1 ASN A 45 6.021 -13.871 2.199 1.00 0.00 O ATOM 630 ND2 ASN A 45 3.924 -14.672 2.268 1.00 0.00 N ATOM 0 H ASN A 45 4.113 -11.953 2.387 1.00 0.00 H new ATOM 0 HA ASN A 45 4.441 -11.567 5.115 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.448 -13.999 4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.754 -13.707 4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.993 -15.059 1.327 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.061 -14.780 2.801 1.00 0.00 H new ATOM 637 N VAL A 46 7.297 -11.854 3.481 1.00 0.00 N ATOM 638 CA VAL A 46 8.732 -11.620 3.582 1.00 0.00 C ATOM 639 C VAL A 46 9.227 -10.740 2.440 1.00 0.00 C ATOM 640 O VAL A 46 9.244 -11.157 1.283 1.00 0.00 O ATOM 641 CB VAL A 46 9.518 -12.945 3.572 1.00 0.00 C ATOM 642 CG1 VAL A 46 8.902 -13.924 2.585 1.00 0.00 C ATOM 643 CG2 VAL A 46 10.982 -12.693 3.242 1.00 0.00 C ATOM 0 H VAL A 46 6.980 -12.136 2.554 1.00 0.00 H new ATOM 0 HA VAL A 46 8.904 -11.111 4.530 1.00 0.00 H new ATOM 0 HB VAL A 46 9.464 -13.387 4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.471 -14.854 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.870 -14.128 2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.923 -13.493 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.522 -13.640 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.059 -12.228 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.415 -12.030 3.991 1.00 0.00 H new ATOM 653 N GLY A 47 9.631 -9.517 2.774 1.00 0.00 N ATOM 654 CA GLY A 47 10.121 -8.596 1.766 1.00 0.00 C ATOM 655 C GLY A 47 9.471 -7.231 1.862 1.00 0.00 C ATOM 656 O GLY A 47 8.546 -7.029 2.650 1.00 0.00 O ATOM 0 H GLY A 47 9.627 -9.149 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.201 -8.489 1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.937 -9.014 0.776 1.00 0.00 H new ATOM 660 N THR A 48 9.955 -6.288 1.060 1.00 0.00 N ATOM 661 CA THR A 48 9.417 -4.933 1.060 1.00 0.00 C ATOM 662 C THR A 48 7.894 -4.947 1.103 1.00 0.00 C ATOM 663 O THR A 48 7.235 -5.218 0.099 1.00 0.00 O ATOM 664 CB THR A 48 9.877 -4.146 -0.182 1.00 0.00 C ATOM 665 OG1 THR A 48 11.303 -4.018 -0.180 1.00 0.00 O ATOM 666 CG2 THR A 48 9.239 -2.766 -0.214 1.00 0.00 C ATOM 0 H THR A 48 10.719 -6.438 0.401 1.00 0.00 H new ATOM 0 HA THR A 48 9.799 -4.441 1.955 1.00 0.00 H new ATOM 0 HB THR A 48 9.563 -4.695 -1.070 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.588 -3.518 -0.973 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.578 -2.229 -1.100 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.154 -2.867 -0.245 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.527 -2.211 0.679 1.00 0.00 H new ATOM 674 N THR A 49 7.337 -4.652 2.274 1.00 0.00 N ATOM 675 CA THR A 49 5.890 -4.630 2.449 1.00 0.00 C ATOM 676 C THR A 49 5.233 -3.660 1.474 1.00 0.00 C ATOM 677 O THR A 49 5.599 -2.486 1.410 1.00 0.00 O ATOM 678 CB THR A 49 5.503 -4.237 3.887 1.00 0.00 C ATOM 679 OG1 THR A 49 6.419 -4.824 4.818 1.00 0.00 O ATOM 680 CG2 THR A 49 4.086 -4.687 4.209 1.00 0.00 C ATOM 0 H THR A 49 7.867 -4.425 3.116 1.00 0.00 H new ATOM 0 HA THR A 49 5.532 -5.640 2.249 1.00 0.00 H new ATOM 0 HB THR A 49 5.549 -3.151 3.968 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.160 -4.204 4.983 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.836 -4.398 5.230 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.388 -4.215 3.517 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.017 -5.770 4.111 1.00 0.00 H new ATOM 688 N ALA A 50 4.260 -4.156 0.717 1.00 0.00 N ATOM 689 CA ALA A 50 3.550 -3.332 -0.253 1.00 0.00 C ATOM 690 C ALA A 50 3.376 -1.907 0.262 1.00 0.00 C ATOM 691 O ALA A 50 3.359 -0.952 -0.517 1.00 0.00 O ATOM 692 CB ALA A 50 2.197 -3.946 -0.578 1.00 0.00 C ATOM 0 H ALA A 50 3.945 -5.125 0.757 1.00 0.00 H new ATOM 0 HA ALA A 50 4.146 -3.292 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.678 -3.320 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.341 -4.943 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.601 -4.016 0.332 1.00 0.00 H new ATOM 698 N LEU A 51 3.248 -1.769 1.576 1.00 0.00 N ATOM 699 CA LEU A 51 3.075 -0.459 2.195 1.00 0.00 C ATOM 700 C LEU A 51 4.282 0.434 1.926 1.00 0.00 C ATOM 701 O LEU A 51 4.135 1.586 1.516 1.00 0.00 O ATOM 702 CB LEU A 51 2.863 -0.609 3.703 1.00 0.00 C ATOM 703 CG LEU A 51 1.795 -1.615 4.134 1.00 0.00 C ATOM 704 CD1 LEU A 51 1.864 -1.857 5.633 1.00 0.00 C ATOM 705 CD2 LEU A 51 0.410 -1.126 3.734 1.00 0.00 C ATOM 0 H LEU A 51 3.261 -2.548 2.234 1.00 0.00 H new ATOM 0 HA LEU A 51 2.194 0.009 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.811 -0.900 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.600 0.367 4.112 1.00 0.00 H new ATOM 0 HG LEU A 51 1.986 -2.560 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.097 -2.575 5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.846 -2.251 5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.699 -0.918 6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.338 -1.854 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.209 -0.169 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.366 -1.005 2.652 1.00 0.00 H new ATOM 717 N TRP A 52 5.473 -0.105 2.158 1.00 0.00 N ATOM 718 CA TRP A 52 6.706 0.643 1.938 1.00 0.00 C ATOM 719 C TRP A 52 6.774 1.174 0.510 1.00 0.00 C ATOM 720 O TRP A 52 7.090 2.342 0.285 1.00 0.00 O ATOM 721 CB TRP A 52 7.921 -0.240 2.225 1.00 0.00 C ATOM 722 CG TRP A 52 8.091 -0.562 3.679 1.00 0.00 C ATOM 723 CD1 TRP A 52 7.842 -1.759 4.288 1.00 0.00 C ATOM 724 CD2 TRP A 52 8.544 0.326 4.706 1.00 0.00 C ATOM 725 NE1 TRP A 52 8.114 -1.669 5.632 1.00 0.00 N ATOM 726 CE2 TRP A 52 8.547 -0.400 5.914 1.00 0.00 C ATOM 727 CE3 TRP A 52 8.951 1.663 4.724 1.00 0.00 C ATOM 728 CZ2 TRP A 52 8.939 0.168 7.123 1.00 0.00 C ATOM 729 CZ3 TRP A 52 9.339 2.226 5.924 1.00 0.00 C ATOM 730 CH2 TRP A 52 9.332 1.479 7.110 1.00 0.00 C ATOM 0 H TRP A 52 5.612 -1.057 2.498 1.00 0.00 H new ATOM 0 HA TRP A 52 6.713 1.492 2.622 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.827 -1.169 1.663 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.819 0.261 1.864 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.484 -2.646 3.787 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.010 -2.424 6.310 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.962 2.246 3.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 8.933 -0.405 8.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.653 3.259 5.949 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.643 1.947 8.032 1.00 0.00 H new ATOM 741 N LYS A 53 6.475 0.308 -0.453 1.00 0.00 N ATOM 742 CA LYS A 53 6.500 0.689 -1.860 1.00 0.00 C ATOM 743 C LYS A 53 5.611 1.903 -2.111 1.00 0.00 C ATOM 744 O LYS A 53 5.915 2.743 -2.958 1.00 0.00 O ATOM 745 CB LYS A 53 6.044 -0.481 -2.735 1.00 0.00 C ATOM 746 CG LYS A 53 6.823 -1.762 -2.491 1.00 0.00 C ATOM 747 CD LYS A 53 6.107 -2.969 -3.074 1.00 0.00 C ATOM 748 CE LYS A 53 6.453 -3.166 -4.542 1.00 0.00 C ATOM 749 NZ LYS A 53 7.746 -3.885 -4.715 1.00 0.00 N ATOM 0 H LYS A 53 6.212 -0.663 -0.284 1.00 0.00 H new ATOM 0 HA LYS A 53 7.525 0.952 -2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.986 -0.669 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.142 -0.200 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.815 -1.676 -2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.965 -1.904 -1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.380 -3.862 -2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.030 -2.841 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.657 -3.728 -5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.508 -2.196 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.946 -4.000 -5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.510 -3.337 -4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.685 -4.821 -4.266 1.00 0.00 H new ATOM 763 N HIS A 54 4.511 1.988 -1.369 1.00 0.00 N ATOM 764 CA HIS A 54 3.578 3.101 -1.510 1.00 0.00 C ATOM 765 C HIS A 54 4.098 4.340 -0.788 1.00 0.00 C ATOM 766 O HIS A 54 3.935 5.464 -1.266 1.00 0.00 O ATOM 767 CB HIS A 54 2.204 2.715 -0.961 1.00 0.00 C ATOM 768 CG HIS A 54 1.189 3.811 -1.062 1.00 0.00 C ATOM 769 ND1 HIS A 54 0.586 4.171 -2.248 1.00 0.00 N ATOM 770 CD2 HIS A 54 0.671 4.628 -0.114 1.00 0.00 C ATOM 771 CE1 HIS A 54 -0.259 5.163 -2.026 1.00 0.00 C ATOM 772 NE2 HIS A 54 -0.226 5.458 -0.739 1.00 0.00 N ATOM 0 H HIS A 54 4.244 1.300 -0.665 1.00 0.00 H new ATOM 0 HA HIS A 54 3.485 3.333 -2.571 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.838 1.842 -1.501 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.308 2.423 0.084 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.918 4.627 0.937 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.872 5.649 -2.770 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.778 6.185 -0.283 1.00 0.00 H new ATOM 780 N LEU A 55 4.723 4.129 0.365 1.00 0.00 N ATOM 781 CA LEU A 55 5.266 5.230 1.153 1.00 0.00 C ATOM 782 C LEU A 55 6.387 5.938 0.400 1.00 0.00 C ATOM 783 O LEU A 55 6.386 7.162 0.270 1.00 0.00 O ATOM 784 CB LEU A 55 5.785 4.713 2.496 1.00 0.00 C ATOM 785 CG LEU A 55 4.729 4.174 3.462 1.00 0.00 C ATOM 786 CD1 LEU A 55 5.377 3.320 4.540 1.00 0.00 C ATOM 787 CD2 LEU A 55 3.944 5.319 4.086 1.00 0.00 C ATOM 0 H LEU A 55 4.866 3.206 0.775 1.00 0.00 H new ATOM 0 HA LEU A 55 4.465 5.947 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.509 3.922 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.322 5.522 2.991 1.00 0.00 H new ATOM 0 HG LEU A 55 4.036 3.548 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.610 2.946 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.894 2.479 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.093 3.922 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.197 4.917 4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.625 5.971 4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.447 5.890 3.301 1.00 0.00 H new ATOM 799 N LYS A 56 7.343 5.160 -0.096 1.00 0.00 N ATOM 800 CA LYS A 56 8.469 5.710 -0.840 1.00 0.00 C ATOM 801 C LYS A 56 8.042 6.128 -2.244 1.00 0.00 C ATOM 802 O LYS A 56 8.793 6.792 -2.959 1.00 0.00 O ATOM 803 CB LYS A 56 9.602 4.685 -0.924 1.00 0.00 C ATOM 804 CG LYS A 56 9.901 4.000 0.398 1.00 0.00 C ATOM 805 CD LYS A 56 10.224 2.528 0.203 1.00 0.00 C ATOM 806 CE LYS A 56 11.229 2.036 1.234 1.00 0.00 C ATOM 807 NZ LYS A 56 10.897 2.515 2.604 1.00 0.00 N ATOM 0 H LYS A 56 7.360 4.145 0.004 1.00 0.00 H new ATOM 0 HA LYS A 56 8.825 6.593 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.343 3.929 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.505 5.182 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.741 4.496 0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.043 4.100 1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.309 1.941 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.623 2.372 -0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.253 0.946 1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.227 2.379 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.722 3.000 3.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.095 3.176 2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.642 1.704 3.203 1.00 0.00 H new ATOM 821 N SER A 57 6.833 5.735 -2.631 1.00 0.00 N ATOM 822 CA SER A 57 6.307 6.067 -3.950 1.00 0.00 C ATOM 823 C SER A 57 5.673 7.455 -3.949 1.00 0.00 C ATOM 824 O SER A 57 5.837 8.225 -4.894 1.00 0.00 O ATOM 825 CB SER A 57 5.279 5.024 -4.390 1.00 0.00 C ATOM 826 OG SER A 57 5.882 4.013 -5.178 1.00 0.00 O ATOM 0 H SER A 57 6.199 5.186 -2.050 1.00 0.00 H new ATOM 0 HA SER A 57 7.138 6.067 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.813 4.576 -3.512 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.486 5.509 -4.960 1.00 0.00 H new ATOM 0 HG SER A 57 6.098 3.243 -4.612 1.00 0.00 H new ATOM 832 N MET A 58 4.947 7.766 -2.880 1.00 0.00 N ATOM 833 CA MET A 58 4.288 9.060 -2.754 1.00 0.00 C ATOM 834 C MET A 58 4.721 9.769 -1.474 1.00 0.00 C ATOM 835 O MET A 58 4.855 10.992 -1.445 1.00 0.00 O ATOM 836 CB MET A 58 2.768 8.887 -2.766 1.00 0.00 C ATOM 837 CG MET A 58 2.246 8.025 -1.627 1.00 0.00 C ATOM 838 SD MET A 58 0.573 8.472 -1.128 1.00 0.00 S ATOM 839 CE MET A 58 -0.237 8.584 -2.722 1.00 0.00 C ATOM 0 H MET A 58 4.800 7.139 -2.089 1.00 0.00 H new ATOM 0 HA MET A 58 4.583 9.673 -3.606 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.298 9.869 -2.712 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.469 8.442 -3.715 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.263 6.979 -1.931 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.914 8.118 -0.770 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.318 8.552 -2.584 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.040 9.521 -3.206 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.074 7.747 -3.348 1.00 0.00 H new ATOM 849 N HIS A 59 4.938 8.992 -0.418 1.00 0.00 N ATOM 850 CA HIS A 59 5.356 9.545 0.865 1.00 0.00 C ATOM 851 C HIS A 59 6.876 9.526 0.996 1.00 0.00 C ATOM 852 O HIS A 59 7.413 9.496 2.103 1.00 0.00 O ATOM 853 CB HIS A 59 4.724 8.759 2.014 1.00 0.00 C ATOM 854 CG HIS A 59 3.227 8.729 1.967 1.00 0.00 C ATOM 855 ND1 HIS A 59 2.446 9.853 2.136 1.00 0.00 N ATOM 856 CD2 HIS A 59 2.368 7.702 1.767 1.00 0.00 C ATOM 857 CE1 HIS A 59 1.171 9.518 2.044 1.00 0.00 C ATOM 858 NE2 HIS A 59 1.097 8.219 1.820 1.00 0.00 N ATOM 0 H HIS A 59 4.831 7.978 -0.425 1.00 0.00 H new ATOM 0 HA HIS A 59 5.018 10.580 0.913 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.101 7.736 1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.041 9.197 2.961 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.797 10.795 2.305 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.633 6.669 1.597 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.332 10.192 2.136 1.00 0.00 H new ATOM 866 N ARG A 60 7.563 9.544 -0.142 1.00 0.00 N ATOM 867 CA ARG A 60 9.021 9.527 -0.154 1.00 0.00 C ATOM 868 C ARG A 60 9.585 10.598 0.776 1.00 0.00 C ATOM 869 O ARG A 60 10.607 10.390 1.429 1.00 0.00 O ATOM 870 CB ARG A 60 9.542 9.745 -1.575 1.00 0.00 C ATOM 871 CG ARG A 60 11.016 10.111 -1.634 1.00 0.00 C ATOM 872 CD ARG A 60 11.442 10.485 -3.045 1.00 0.00 C ATOM 873 NE ARG A 60 10.673 11.610 -3.569 1.00 0.00 N ATOM 874 CZ ARG A 60 9.499 11.479 -4.178 1.00 0.00 C ATOM 875 NH1 ARG A 60 8.963 10.277 -4.338 1.00 0.00 N ATOM 876 NH2 ARG A 60 8.860 12.551 -4.627 1.00 0.00 N ATOM 0 H ARG A 60 7.134 9.570 -1.067 1.00 0.00 H new ATOM 0 HA ARG A 60 9.351 8.551 0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.378 8.838 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.961 10.536 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.212 10.945 -0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.615 9.271 -1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.502 10.738 -3.048 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.318 9.624 -3.701 1.00 0.00 H new ATOM 0 HE ARG A 60 11.058 12.548 -3.462 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.452 9.451 -3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.062 10.179 -4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.270 13.477 -4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.959 12.449 -5.094 1.00 0.00 H new ATOM 890 N GLU A 61 8.912 11.743 0.829 1.00 0.00 N ATOM 891 CA GLU A 61 9.347 12.846 1.678 1.00 0.00 C ATOM 892 C GLU A 61 9.073 12.542 3.148 1.00 0.00 C ATOM 893 O GLU A 61 9.923 12.770 4.008 1.00 0.00 O ATOM 894 CB GLU A 61 8.641 14.141 1.272 1.00 0.00 C ATOM 895 CG GLU A 61 9.000 14.618 -0.125 1.00 0.00 C ATOM 896 CD GLU A 61 7.952 15.543 -0.713 1.00 0.00 C ATOM 897 OE1 GLU A 61 6.767 15.410 -0.342 1.00 0.00 O ATOM 898 OE2 GLU A 61 8.318 16.401 -1.544 1.00 0.00 O ATOM 0 H GLU A 61 8.064 11.931 0.294 1.00 0.00 H new ATOM 0 HA GLU A 61 10.422 12.971 1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.563 13.991 1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.892 14.922 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.959 15.135 -0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.125 13.755 -0.779 1.00 0.00 H new ATOM 905 N GLU A 62 7.879 12.029 3.427 1.00 0.00 N ATOM 906 CA GLU A 62 7.491 11.696 4.793 1.00 0.00 C ATOM 907 C GLU A 62 8.521 10.775 5.441 1.00 0.00 C ATOM 908 O GLU A 62 8.914 10.975 6.591 1.00 0.00 O ATOM 909 CB GLU A 62 6.114 11.030 4.808 1.00 0.00 C ATOM 910 CG GLU A 62 5.404 11.130 6.148 1.00 0.00 C ATOM 911 CD GLU A 62 6.202 10.510 7.278 1.00 0.00 C ATOM 912 OE1 GLU A 62 6.509 9.302 7.196 1.00 0.00 O ATOM 913 OE2 GLU A 62 6.520 11.233 8.246 1.00 0.00 O ATOM 0 H GLU A 62 7.164 11.835 2.726 1.00 0.00 H new ATOM 0 HA GLU A 62 7.444 12.622 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.490 11.488 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.225 9.979 4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.212 12.178 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.435 10.636 6.079 1.00 0.00 H new ATOM 920 N LEU A 63 8.954 9.764 4.696 1.00 0.00 N ATOM 921 CA LEU A 63 9.937 8.810 5.197 1.00 0.00 C ATOM 922 C LEU A 63 11.278 9.492 5.448 1.00 0.00 C ATOM 923 O LEU A 63 11.784 9.492 6.570 1.00 0.00 O ATOM 924 CB LEU A 63 10.115 7.661 4.202 1.00 0.00 C ATOM 925 CG LEU A 63 8.856 6.862 3.867 1.00 0.00 C ATOM 926 CD1 LEU A 63 9.155 5.813 2.808 1.00 0.00 C ATOM 927 CD2 LEU A 63 8.288 6.211 5.120 1.00 0.00 C ATOM 0 H LEU A 63 8.640 9.584 3.743 1.00 0.00 H new ATOM 0 HA LEU A 63 9.570 8.410 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.519 8.069 3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.862 6.974 4.601 1.00 0.00 H new ATOM 0 HG LEU A 63 8.109 7.548 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.247 5.254 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.514 6.302 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.919 5.129 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.392 5.646 4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.030 5.538 5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.034 6.982 5.848 1.00 0.00 H new ATOM 939 N GLU A 64 11.847 10.074 4.397 1.00 0.00 N ATOM 940 CA GLU A 64 13.128 10.761 4.506 1.00 0.00 C ATOM 941 C GLU A 64 13.163 11.656 5.742 1.00 0.00 C ATOM 942 O GLU A 64 14.161 11.703 6.461 1.00 0.00 O ATOM 943 CB GLU A 64 13.393 11.596 3.251 1.00 0.00 C ATOM 944 CG GLU A 64 13.856 10.774 2.060 1.00 0.00 C ATOM 945 CD GLU A 64 14.454 11.629 0.959 1.00 0.00 C ATOM 946 OE1 GLU A 64 15.275 12.515 1.274 1.00 0.00 O ATOM 947 OE2 GLU A 64 14.100 11.410 -0.219 1.00 0.00 O ATOM 0 H GLU A 64 11.441 10.083 3.461 1.00 0.00 H new ATOM 0 HA GLU A 64 13.908 10.006 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.482 12.130 2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.148 12.348 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.596 10.045 2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.012 10.212 1.661 1.00 0.00 H new ATOM 954 N LYS A 65 12.065 12.365 5.982 1.00 0.00 N ATOM 955 CA LYS A 65 11.967 13.259 7.130 1.00 0.00 C ATOM 956 C LYS A 65 11.988 12.470 8.436 1.00 0.00 C ATOM 957 O LYS A 65 12.731 12.801 9.360 1.00 0.00 O ATOM 958 CB LYS A 65 10.687 14.093 7.046 1.00 0.00 C ATOM 959 CG LYS A 65 10.866 15.407 6.306 1.00 0.00 C ATOM 960 CD LYS A 65 9.549 16.152 6.166 1.00 0.00 C ATOM 961 CE LYS A 65 8.682 15.550 5.070 1.00 0.00 C ATOM 962 NZ LYS A 65 7.301 16.105 5.087 1.00 0.00 N ATOM 0 H LYS A 65 11.230 12.338 5.397 1.00 0.00 H new ATOM 0 HA LYS A 65 12.829 13.926 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.914 13.508 6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.331 14.299 8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.583 16.031 6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.283 15.215 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.011 16.124 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.745 17.201 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.139 15.742 4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.640 14.468 5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.742 15.670 4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.856 15.900 6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.339 17.134 4.943 1.00 0.00 H new ATOM 976 N SER A 66 11.168 11.426 8.505 1.00 0.00 N ATOM 977 CA SER A 66 11.091 10.592 9.698 1.00 0.00 C ATOM 978 C SER A 66 11.912 9.319 9.526 1.00 0.00 C ATOM 979 O SER A 66 11.373 8.253 9.231 1.00 0.00 O ATOM 980 CB SER A 66 9.634 10.236 10.004 1.00 0.00 C ATOM 981 OG SER A 66 8.875 11.397 10.294 1.00 0.00 O ATOM 0 H SER A 66 10.548 11.138 7.748 1.00 0.00 H new ATOM 0 HA SER A 66 11.503 11.158 10.534 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.197 9.716 9.152 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.594 9.551 10.851 1.00 0.00 H new ATOM 0 HG SER A 66 8.101 11.440 9.694 1.00 0.00 H new ATOM 987 N GLY A 67 13.224 9.438 9.712 1.00 0.00 N ATOM 988 CA GLY A 67 14.100 8.290 9.572 1.00 0.00 C ATOM 989 C GLY A 67 13.633 7.331 8.495 1.00 0.00 C ATOM 990 O GLY A 67 13.580 7.686 7.317 1.00 0.00 O ATOM 0 H GLY A 67 13.695 10.309 9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.108 8.633 9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.157 7.762 10.524 1.00 0.00 H new ATOM 994 N HIS A 68 13.293 6.111 8.899 1.00 0.00 N ATOM 995 CA HIS A 68 12.829 5.096 7.959 1.00 0.00 C ATOM 996 C HIS A 68 13.665 5.115 6.683 1.00 0.00 C ATOM 997 O HIS A 68 13.135 4.986 5.580 1.00 0.00 O ATOM 998 CB HIS A 68 11.355 5.322 7.620 1.00 0.00 C ATOM 999 CG HIS A 68 10.436 5.127 8.786 1.00 0.00 C ATOM 1000 ND1 HIS A 68 9.180 4.570 8.670 1.00 0.00 N ATOM 1001 CD2 HIS A 68 10.596 5.418 10.098 1.00 0.00 C ATOM 1002 CE1 HIS A 68 8.607 4.528 9.860 1.00 0.00 C ATOM 1003 NE2 HIS A 68 9.446 5.036 10.744 1.00 0.00 N ATOM 0 H HIS A 68 13.330 5.801 9.870 1.00 0.00 H new ATOM 0 HA HIS A 68 12.941 4.120 8.431 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.230 6.334 7.235 1.00 0.00 H new ATOM 0 HB3 HIS A 68 11.065 4.639 6.821 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.467 5.867 10.553 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.620 4.144 10.073 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.269 5.129 11.744 1.00 0.00 H new ATOM 1011 N GLY A 69 14.975 5.276 6.842 1.00 0.00 N ATOM 1012 CA GLY A 69 15.863 5.309 5.694 1.00 0.00 C ATOM 1013 C GLY A 69 16.434 3.944 5.364 1.00 0.00 C ATOM 1014 O GLY A 69 17.215 3.389 6.136 1.00 0.00 O ATOM 0 H GLY A 69 15.437 5.384 7.745 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.320 5.691 4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.680 6.004 5.890 1.00 0.00 H new ATOM 1018 N GLN A 70 16.043 3.403 4.214 1.00 0.00 N ATOM 1019 CA GLN A 70 16.520 2.094 3.785 1.00 0.00 C ATOM 1020 C GLN A 70 16.178 1.025 4.818 1.00 0.00 C ATOM 1021 O GLN A 70 17.019 0.198 5.171 1.00 0.00 O ATOM 1022 CB GLN A 70 18.032 2.130 3.553 1.00 0.00 C ATOM 1023 CG GLN A 70 18.456 3.099 2.461 1.00 0.00 C ATOM 1024 CD GLN A 70 18.497 2.453 1.090 1.00 0.00 C ATOM 1025 OE1 GLN A 70 17.828 1.449 0.845 1.00 0.00 O ATOM 1026 NE2 GLN A 70 19.284 3.027 0.188 1.00 0.00 N ATOM 0 H GLN A 70 15.398 3.851 3.563 1.00 0.00 H new ATOM 0 HA GLN A 70 16.021 1.842 2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 70 18.528 2.405 4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.375 1.129 3.293 1.00 0.00 H new ATOM 0 HG2 GLN A 70 17.765 3.942 2.441 1.00 0.00 H new ATOM 0 HG3 GLN A 70 19.441 3.500 2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 70 19.821 3.858 0.435 1.00 0.00 H new ATOM 0 HE22 GLN A 70 19.352 2.637 -0.752 1.00 0.00 H new ATOM 1035 N SER A 71 14.939 1.048 5.298 1.00 0.00 N ATOM 1036 CA SER A 71 14.487 0.083 6.294 1.00 0.00 C ATOM 1037 C SER A 71 14.016 -1.205 5.626 1.00 0.00 C ATOM 1038 O SER A 71 14.344 -2.304 6.073 1.00 0.00 O ATOM 1039 CB SER A 71 13.355 0.678 7.134 1.00 0.00 C ATOM 1040 OG SER A 71 12.905 -0.245 8.111 1.00 0.00 O ATOM 0 H SER A 71 14.230 1.724 5.014 1.00 0.00 H new ATOM 0 HA SER A 71 15.329 -0.152 6.945 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.701 1.589 7.622 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.525 0.959 6.485 1.00 0.00 H new ATOM 0 HG SER A 71 12.183 0.160 8.635 1.00 0.00 H new ATOM 1046 N GLY A 72 13.245 -1.062 4.553 1.00 0.00 N ATOM 1047 CA GLY A 72 12.741 -2.221 3.841 1.00 0.00 C ATOM 1048 C GLY A 72 13.841 -2.997 3.144 1.00 0.00 C ATOM 1049 O GLY A 72 14.142 -4.139 3.491 1.00 0.00 O ATOM 0 H GLY A 72 12.960 -0.163 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.225 -2.878 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.005 -1.899 3.104 1.00 0.00 H new ATOM 1053 N PRO A 73 14.462 -2.371 2.132 1.00 0.00 N ATOM 1054 CA PRO A 73 15.544 -2.991 1.362 1.00 0.00 C ATOM 1055 C PRO A 73 16.822 -3.147 2.180 1.00 0.00 C ATOM 1056 O PRO A 73 17.794 -3.748 1.722 1.00 0.00 O ATOM 1057 CB PRO A 73 15.765 -2.012 0.207 1.00 0.00 C ATOM 1058 CG PRO A 73 15.292 -0.699 0.729 1.00 0.00 C ATOM 1059 CD PRO A 73 14.156 -1.009 1.663 1.00 0.00 C ATOM 0 HA PRO A 73 15.288 -4.000 1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.816 -1.969 -0.080 1.00 0.00 H new ATOM 0 HB3 PRO A 73 15.205 -2.311 -0.679 1.00 0.00 H new ATOM 0 HG2 PRO A 73 16.093 -0.175 1.250 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.963 -0.052 -0.084 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.111 -0.300 2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.194 -0.966 1.153 1.00 0.00 H new ATOM 1067 N SER A 74 16.813 -2.603 3.393 1.00 0.00 N ATOM 1068 CA SER A 74 17.973 -2.679 4.273 1.00 0.00 C ATOM 1069 C SER A 74 19.240 -2.245 3.542 1.00 0.00 C ATOM 1070 O SER A 74 20.299 -2.852 3.698 1.00 0.00 O ATOM 1071 CB SER A 74 18.142 -4.102 4.808 1.00 0.00 C ATOM 1072 OG SER A 74 16.977 -4.532 5.490 1.00 0.00 O ATOM 0 H SER A 74 16.015 -2.105 3.788 1.00 0.00 H new ATOM 0 HA SER A 74 17.807 -2.001 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 74 18.356 -4.781 3.983 1.00 0.00 H new ATOM 0 HB3 SER A 74 18.997 -4.141 5.482 1.00 0.00 H new ATOM 0 HG SER A 74 17.110 -5.445 5.821 1.00 0.00 H new ATOM 1078 N SER A 75 19.121 -1.190 2.741 1.00 0.00 N ATOM 1079 CA SER A 75 20.255 -0.676 1.982 1.00 0.00 C ATOM 1080 C SER A 75 21.127 -1.817 1.467 1.00 0.00 C ATOM 1081 O SER A 75 22.353 -1.766 1.557 1.00 0.00 O ATOM 1082 CB SER A 75 21.090 0.269 2.848 1.00 0.00 C ATOM 1083 OG SER A 75 22.106 0.897 2.085 1.00 0.00 O ATOM 0 H SER A 75 18.251 -0.675 2.601 1.00 0.00 H new ATOM 0 HA SER A 75 19.867 -0.124 1.126 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.444 1.026 3.292 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.540 -0.288 3.670 1.00 0.00 H new ATOM 0 HG SER A 75 22.659 0.214 1.652 1.00 0.00 H new ATOM 1089 N GLY A 76 20.484 -2.849 0.928 1.00 0.00 N ATOM 1090 CA GLY A 76 21.215 -3.989 0.408 1.00 0.00 C ATOM 1091 C GLY A 76 22.459 -4.298 1.216 1.00 0.00 C ATOM 1092 O GLY A 76 22.361 -4.449 2.433 1.00 0.00 O ATOM 0 H GLY A 76 19.470 -2.915 0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 76 20.563 -4.863 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 76 21.497 -3.795 -0.627 1.00 0.00 H new TER 1096 GLY A 76 HETATM 1097 ZN ZN A 201 -0.629 6.697 1.242 1.00 0.00 ZN