USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=20 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 13 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -5.66! C(o=-5.7!,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 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -98:sc= 0.0305 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 USER MOD Single : A 23 HIS : no HD1:sc=-0.00891 X(o=-0.0089,f=0) USER MOD Single : A 24 HIS : no HE2:sc= -3.31! C(o=-3.3!,f=-7.2!) USER MOD Single : A 26 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.35) USER MOD Single : A 27 GLN : amide:sc=-0.00764 K(o=-0.0076,f=-1.7!) USER MOD Single : A 37 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.5!) USER MOD Single : A 45 ASN : amide:sc= -0.096 X(o=-0.096,f=-0.0039) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 92:sc= 0.0332 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 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 162:sc= -0.0297 (180deg=-0.497) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.2!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.112 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.941 -5.603 11.962 1.00 0.00 N ATOM 2 CA GLY A 1 -0.853 -6.561 12.026 1.00 0.00 C ATOM 3 C GLY A 1 -0.071 -6.463 13.321 1.00 0.00 C ATOM 4 O GLY A 1 0.007 -5.396 13.928 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.831 -6.069 12.232 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.750 -4.817 12.616 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.023 -5.235 10.993 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.254 -7.569 11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.179 -6.398 11.185 1.00 0.00 H new ATOM 8 N SER A 2 0.510 -7.582 13.745 1.00 0.00 N ATOM 9 CA SER A 2 1.286 -7.619 14.979 1.00 0.00 C ATOM 10 C SER A 2 2.712 -8.088 14.710 1.00 0.00 C ATOM 11 O SER A 2 3.677 -7.422 15.084 1.00 0.00 O ATOM 12 CB SER A 2 0.617 -8.543 15.999 1.00 0.00 C ATOM 13 OG SER A 2 -0.302 -7.830 16.808 1.00 0.00 O ATOM 0 H SER A 2 0.458 -8.474 13.252 1.00 0.00 H new ATOM 0 HA SER A 2 1.325 -6.608 15.385 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.099 -9.349 15.479 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.377 -9.006 16.628 1.00 0.00 H new ATOM 0 HG SER A 2 -0.717 -8.443 17.450 1.00 0.00 H new ATOM 19 N SER A 3 2.837 -9.240 14.057 1.00 0.00 N ATOM 20 CA SER A 3 4.144 -9.801 13.740 1.00 0.00 C ATOM 21 C SER A 3 4.806 -9.029 12.603 1.00 0.00 C ATOM 22 O SER A 3 4.134 -8.364 11.816 1.00 0.00 O ATOM 23 CB SER A 3 4.011 -11.277 13.360 1.00 0.00 C ATOM 24 OG SER A 3 3.269 -11.430 12.162 1.00 0.00 O ATOM 0 H SER A 3 2.048 -9.802 13.738 1.00 0.00 H new ATOM 0 HA SER A 3 4.772 -9.717 14.627 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.002 -11.715 13.236 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.521 -11.821 14.167 1.00 0.00 H new ATOM 0 HG SER A 3 3.200 -12.382 11.940 1.00 0.00 H new ATOM 30 N GLY A 4 6.130 -9.122 12.524 1.00 0.00 N ATOM 31 CA GLY A 4 6.862 -8.428 11.481 1.00 0.00 C ATOM 32 C GLY A 4 8.134 -9.151 11.086 1.00 0.00 C ATOM 33 O GLY A 4 8.857 -9.663 11.941 1.00 0.00 O ATOM 0 H GLY A 4 6.709 -9.666 13.164 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.223 -8.318 10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.110 -7.423 11.823 1.00 0.00 H new ATOM 37 N SER A 5 8.410 -9.194 9.786 1.00 0.00 N ATOM 38 CA SER A 5 9.601 -9.865 9.279 1.00 0.00 C ATOM 39 C SER A 5 10.732 -8.866 9.054 1.00 0.00 C ATOM 40 O SER A 5 11.028 -8.492 7.919 1.00 0.00 O ATOM 41 CB SER A 5 9.284 -10.597 7.974 1.00 0.00 C ATOM 42 OG SER A 5 8.235 -11.532 8.155 1.00 0.00 O ATOM 0 H SER A 5 7.825 -8.772 9.065 1.00 0.00 H new ATOM 0 HA SER A 5 9.924 -10.592 10.025 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.003 -9.875 7.207 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.176 -11.111 7.616 1.00 0.00 H new ATOM 0 HG SER A 5 8.051 -11.985 7.306 1.00 0.00 H new ATOM 48 N SER A 6 11.361 -8.437 10.144 1.00 0.00 N ATOM 49 CA SER A 6 12.457 -7.478 10.066 1.00 0.00 C ATOM 50 C SER A 6 11.993 -6.173 9.427 1.00 0.00 C ATOM 51 O SER A 6 12.681 -5.604 8.581 1.00 0.00 O ATOM 52 CB SER A 6 13.621 -8.066 9.267 1.00 0.00 C ATOM 53 OG SER A 6 14.114 -9.247 9.876 1.00 0.00 O ATOM 0 H SER A 6 11.130 -8.738 11.091 1.00 0.00 H new ATOM 0 HA SER A 6 12.794 -7.265 11.081 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.294 -8.287 8.251 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.422 -7.331 9.191 1.00 0.00 H new ATOM 0 HG SER A 6 14.856 -9.604 9.345 1.00 0.00 H new ATOM 59 N GLY A 7 10.819 -5.704 9.839 1.00 0.00 N ATOM 60 CA GLY A 7 10.282 -4.470 9.297 1.00 0.00 C ATOM 61 C GLY A 7 8.809 -4.292 9.607 1.00 0.00 C ATOM 62 O GLY A 7 8.440 -3.979 10.739 1.00 0.00 O ATOM 0 H GLY A 7 10.231 -6.157 10.538 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.840 -3.626 9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.427 -4.458 8.217 1.00 0.00 H new ATOM 66 N SER A 8 7.965 -4.491 8.600 1.00 0.00 N ATOM 67 CA SER A 8 6.524 -4.346 8.770 1.00 0.00 C ATOM 68 C SER A 8 6.200 -3.152 9.662 1.00 0.00 C ATOM 69 O SER A 8 5.242 -3.183 10.434 1.00 0.00 O ATOM 70 CB SER A 8 5.928 -5.621 9.370 1.00 0.00 C ATOM 71 OG SER A 8 5.655 -6.580 8.362 1.00 0.00 O ATOM 0 H SER A 8 8.254 -4.753 7.658 1.00 0.00 H new ATOM 0 HA SER A 8 6.083 -4.175 7.788 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.621 -6.042 10.099 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.010 -5.380 9.905 1.00 0.00 H new ATOM 0 HG SER A 8 5.277 -7.386 8.771 1.00 0.00 H new ATOM 77 N GLU A 9 7.006 -2.101 9.549 1.00 0.00 N ATOM 78 CA GLU A 9 6.805 -0.896 10.346 1.00 0.00 C ATOM 79 C GLU A 9 5.929 0.108 9.604 1.00 0.00 C ATOM 80 O GLU A 9 5.268 0.945 10.218 1.00 0.00 O ATOM 81 CB GLU A 9 8.152 -0.257 10.692 1.00 0.00 C ATOM 82 CG GLU A 9 8.139 0.520 11.998 1.00 0.00 C ATOM 83 CD GLU A 9 9.525 0.686 12.591 1.00 0.00 C ATOM 84 OE1 GLU A 9 10.511 0.614 11.828 1.00 0.00 O ATOM 85 OE2 GLU A 9 9.624 0.889 13.820 1.00 0.00 O ATOM 0 H GLU A 9 7.803 -2.059 8.914 1.00 0.00 H new ATOM 0 HA GLU A 9 6.298 -1.181 11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.911 -1.038 10.751 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.446 0.412 9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.701 1.503 11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.500 0.006 12.716 1.00 0.00 H new ATOM 92 N ALA A 10 5.929 0.018 8.278 1.00 0.00 N ATOM 93 CA ALA A 10 5.134 0.917 7.451 1.00 0.00 C ATOM 94 C ALA A 10 3.655 0.830 7.811 1.00 0.00 C ATOM 95 O ALA A 10 2.881 1.743 7.524 1.00 0.00 O ATOM 96 CB ALA A 10 5.340 0.600 5.977 1.00 0.00 C ATOM 0 H ALA A 10 6.471 -0.669 7.754 1.00 0.00 H new ATOM 0 HA ALA A 10 5.468 1.937 7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.740 1.279 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.393 0.721 5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.035 -0.428 5.780 1.00 0.00 H new ATOM 102 N TRP A 11 3.268 -0.274 8.440 1.00 0.00 N ATOM 103 CA TRP A 11 1.881 -0.481 8.839 1.00 0.00 C ATOM 104 C TRP A 11 1.353 0.720 9.616 1.00 0.00 C ATOM 105 O TRP A 11 0.156 1.003 9.602 1.00 0.00 O ATOM 106 CB TRP A 11 1.755 -1.748 9.686 1.00 0.00 C ATOM 107 CG TRP A 11 1.478 -2.978 8.876 1.00 0.00 C ATOM 108 CD1 TRP A 11 2.325 -4.029 8.665 1.00 0.00 C ATOM 109 CD2 TRP A 11 0.271 -3.285 8.168 1.00 0.00 C ATOM 110 NE1 TRP A 11 1.717 -4.969 7.869 1.00 0.00 N ATOM 111 CE2 TRP A 11 0.457 -4.537 7.551 1.00 0.00 C ATOM 112 CE3 TRP A 11 -0.948 -2.624 7.998 1.00 0.00 C ATOM 113 CZ2 TRP A 11 -0.531 -5.139 6.777 1.00 0.00 C ATOM 114 CZ3 TRP A 11 -1.928 -3.222 7.228 1.00 0.00 C ATOM 115 CH2 TRP A 11 -1.715 -4.470 6.626 1.00 0.00 C ATOM 0 H TRP A 11 3.896 -1.040 8.685 1.00 0.00 H new ATOM 0 HA TRP A 11 1.283 -0.597 7.935 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.677 -1.893 10.250 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.954 -1.612 10.413 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.325 -4.109 9.065 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.136 -5.847 7.564 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.122 -1.663 8.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.369 -6.100 6.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.874 -2.719 7.088 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.501 -4.912 6.031 1.00 0.00 H new ATOM 126 N GLU A 12 2.255 1.423 10.295 1.00 0.00 N ATOM 127 CA GLU A 12 1.878 2.593 11.079 1.00 0.00 C ATOM 128 C GLU A 12 1.126 3.605 10.219 1.00 0.00 C ATOM 129 O GLU A 12 0.316 4.384 10.722 1.00 0.00 O ATOM 130 CB GLU A 12 3.120 3.248 11.688 1.00 0.00 C ATOM 131 CG GLU A 12 4.034 3.894 10.660 1.00 0.00 C ATOM 132 CD GLU A 12 5.363 4.325 11.250 1.00 0.00 C ATOM 133 OE1 GLU A 12 5.360 5.196 12.145 1.00 0.00 O ATOM 134 OE2 GLU A 12 6.405 3.791 10.817 1.00 0.00 O ATOM 0 H GLU A 12 3.251 1.203 10.318 1.00 0.00 H new ATOM 0 HA GLU A 12 1.219 2.264 11.882 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.806 4.004 12.408 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.683 2.496 12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.213 3.192 9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.534 4.761 10.229 1.00 0.00 H new ATOM 141 N TYR A 13 1.401 3.589 8.919 1.00 0.00 N ATOM 142 CA TYR A 13 0.754 4.506 7.989 1.00 0.00 C ATOM 143 C TYR A 13 -0.392 3.818 7.254 1.00 0.00 C ATOM 144 O TYR A 13 -0.836 4.279 6.202 1.00 0.00 O ATOM 145 CB TYR A 13 1.771 5.045 6.982 1.00 0.00 C ATOM 146 CG TYR A 13 3.036 5.572 7.621 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.083 4.718 7.943 1.00 0.00 C ATOM 148 CD2 TYR A 13 3.184 6.925 7.901 1.00 0.00 C ATOM 149 CE1 TYR A 13 5.240 5.195 8.528 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.339 7.411 8.484 1.00 0.00 C ATOM 151 CZ TYR A 13 5.363 6.542 8.796 1.00 0.00 C ATOM 152 OH TYR A 13 6.515 7.021 9.377 1.00 0.00 O ATOM 0 H TYR A 13 2.068 2.950 8.486 1.00 0.00 H new ATOM 0 HA TYR A 13 0.345 5.338 8.563 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.031 4.252 6.281 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.307 5.843 6.402 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.991 3.663 7.732 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.383 7.608 7.659 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.044 4.517 8.774 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.439 8.466 8.694 1.00 0.00 H new ATOM 0 HH TYR A 13 6.442 7.991 9.498 1.00 0.00 H new ATOM 162 N PHE A 14 -0.866 2.711 7.816 1.00 0.00 N ATOM 163 CA PHE A 14 -1.961 1.957 7.214 1.00 0.00 C ATOM 164 C PHE A 14 -2.814 1.288 8.288 1.00 0.00 C ATOM 165 O PHE A 14 -2.357 1.062 9.409 1.00 0.00 O ATOM 166 CB PHE A 14 -1.413 0.902 6.251 1.00 0.00 C ATOM 167 CG PHE A 14 -0.662 1.485 5.088 1.00 0.00 C ATOM 168 CD1 PHE A 14 0.665 1.862 5.221 1.00 0.00 C ATOM 169 CD2 PHE A 14 -1.283 1.658 3.861 1.00 0.00 C ATOM 170 CE1 PHE A 14 1.359 2.398 4.153 1.00 0.00 C ATOM 171 CE2 PHE A 14 -0.594 2.193 2.790 1.00 0.00 C ATOM 172 CZ PHE A 14 0.728 2.565 2.936 1.00 0.00 C ATOM 0 H PHE A 14 -0.510 2.316 8.686 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.588 2.654 6.659 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.753 0.229 6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.240 0.301 5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.163 1.735 6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.317 1.371 3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.393 2.686 4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.089 2.320 1.839 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.267 2.986 2.100 1.00 0.00 H new ATOM 182 N HIS A 15 -4.057 0.973 7.936 1.00 0.00 N ATOM 183 CA HIS A 15 -4.975 0.329 8.869 1.00 0.00 C ATOM 184 C HIS A 15 -5.830 -0.714 8.156 1.00 0.00 C ATOM 185 O HIS A 15 -6.440 -0.432 7.123 1.00 0.00 O ATOM 186 CB HIS A 15 -5.872 1.372 9.536 1.00 0.00 C ATOM 187 CG HIS A 15 -7.177 1.578 8.831 1.00 0.00 C ATOM 188 ND1 HIS A 15 -8.110 0.576 8.666 1.00 0.00 N ATOM 189 CD2 HIS A 15 -7.704 2.680 8.247 1.00 0.00 C ATOM 190 CE1 HIS A 15 -9.154 1.052 8.011 1.00 0.00 C ATOM 191 NE2 HIS A 15 -8.933 2.327 7.745 1.00 0.00 N ATOM 0 H HIS A 15 -4.451 1.153 7.013 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.384 -0.173 9.635 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.068 1.067 10.564 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.339 2.322 9.582 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -8.010 -0.383 8.998 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.244 3.655 8.187 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.038 0.494 7.739 1.00 0.00 H new ATOM 199 N LEU A 16 -5.870 -1.920 8.712 1.00 0.00 N ATOM 200 CA LEU A 16 -6.651 -3.006 8.129 1.00 0.00 C ATOM 201 C LEU A 16 -8.142 -2.686 8.166 1.00 0.00 C ATOM 202 O LEU A 16 -8.625 -2.036 9.093 1.00 0.00 O ATOM 203 CB LEU A 16 -6.380 -4.313 8.876 1.00 0.00 C ATOM 204 CG LEU A 16 -5.069 -5.022 8.534 1.00 0.00 C ATOM 205 CD1 LEU A 16 -4.875 -6.243 9.420 1.00 0.00 C ATOM 206 CD2 LEU A 16 -5.045 -5.418 7.065 1.00 0.00 C ATOM 0 H LEU A 16 -5.371 -2.171 9.566 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.349 -3.120 7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.389 -4.105 9.946 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.203 -4.999 8.678 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.246 -4.331 8.718 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.937 -6.734 9.162 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.847 -5.934 10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.702 -6.937 9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.105 -5.921 6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.876 -6.091 6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.137 -4.525 6.446 1.00 0.00 H new ATOM 218 N ALA A 17 -8.866 -3.149 7.152 1.00 0.00 N ATOM 219 CA ALA A 17 -10.302 -2.915 7.071 1.00 0.00 C ATOM 220 C ALA A 17 -11.081 -4.055 7.720 1.00 0.00 C ATOM 221 O ALA A 17 -10.776 -5.233 7.533 1.00 0.00 O ATOM 222 CB ALA A 17 -10.728 -2.742 5.620 1.00 0.00 C ATOM 0 H ALA A 17 -8.482 -3.688 6.376 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.527 -1.998 7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.803 -2.568 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.204 -1.890 5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.482 -3.644 5.059 1.00 0.00 H new ATOM 228 N PRO A 18 -12.111 -3.698 8.501 1.00 0.00 N ATOM 229 CA PRO A 18 -12.955 -4.677 9.194 1.00 0.00 C ATOM 230 C PRO A 18 -13.832 -5.470 8.232 1.00 0.00 C ATOM 231 O PRO A 18 -14.147 -5.004 7.137 1.00 0.00 O ATOM 232 CB PRO A 18 -13.818 -3.811 10.115 1.00 0.00 C ATOM 233 CG PRO A 18 -13.861 -2.478 9.452 1.00 0.00 C ATOM 234 CD PRO A 18 -12.532 -2.313 8.769 1.00 0.00 C ATOM 0 HA PRO A 18 -12.363 -5.426 9.721 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.818 -4.229 10.228 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.386 -3.743 11.113 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.679 -2.426 8.733 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.026 -1.685 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.622 -1.735 7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.816 -1.791 9.404 1.00 0.00 H new ATOM 242 N ALA A 19 -14.225 -6.669 8.648 1.00 0.00 N ATOM 243 CA ALA A 19 -15.068 -7.526 7.823 1.00 0.00 C ATOM 244 C ALA A 19 -16.545 -7.294 8.123 1.00 0.00 C ATOM 245 O ALA A 19 -17.095 -7.865 9.065 1.00 0.00 O ATOM 246 CB ALA A 19 -14.707 -8.988 8.040 1.00 0.00 C ATOM 0 H ALA A 19 -13.973 -7.069 9.552 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.891 -7.271 6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.344 -9.616 7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.663 -9.149 7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.854 -9.247 9.088 1.00 0.00 H new ATOM 252 N ARG A 20 -17.183 -6.452 7.316 1.00 0.00 N ATOM 253 CA ARG A 20 -18.596 -6.143 7.496 1.00 0.00 C ATOM 254 C ARG A 20 -19.464 -7.350 7.152 1.00 0.00 C ATOM 255 O ARG A 20 -20.167 -7.353 6.142 1.00 0.00 O ATOM 256 CB ARG A 20 -18.994 -4.950 6.625 1.00 0.00 C ATOM 257 CG ARG A 20 -18.191 -3.692 6.912 1.00 0.00 C ATOM 258 CD ARG A 20 -18.295 -2.692 5.770 1.00 0.00 C ATOM 259 NE ARG A 20 -19.529 -1.915 5.833 1.00 0.00 N ATOM 260 CZ ARG A 20 -19.930 -1.093 4.870 1.00 0.00 C ATOM 261 NH1 ARG A 20 -19.198 -0.943 3.775 1.00 0.00 N ATOM 262 NH2 ARG A 20 -21.067 -0.420 5.000 1.00 0.00 N ATOM 0 H ARG A 20 -16.743 -5.972 6.531 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.756 -5.888 8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.869 -5.219 5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -20.052 -4.738 6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.549 -3.233 7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.146 -3.955 7.073 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.440 -2.017 5.801 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.249 -3.222 4.819 1.00 0.00 H new ATOM 0 HE ARG A 20 -20.116 -2.008 6.662 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.325 -1.460 3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.508 -0.311 3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -21.634 -0.534 5.840 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.374 0.211 4.260 1.00 0.00 H new ATOM 276 N ALA A 21 -19.410 -8.372 7.999 1.00 0.00 N ATOM 277 CA ALA A 21 -20.192 -9.584 7.786 1.00 0.00 C ATOM 278 C ALA A 21 -20.245 -9.949 6.306 1.00 0.00 C ATOM 279 O ALA A 21 -21.298 -10.311 5.784 1.00 0.00 O ATOM 280 CB ALA A 21 -21.598 -9.408 8.339 1.00 0.00 C ATOM 0 H ALA A 21 -18.833 -8.385 8.840 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.704 -10.401 8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -22.171 -10.320 8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -21.545 -9.202 9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -22.087 -8.576 7.833 1.00 0.00 H new ATOM 286 N GLY A 22 -19.101 -9.852 5.636 1.00 0.00 N ATOM 287 CA GLY A 22 -19.039 -10.176 4.222 1.00 0.00 C ATOM 288 C GLY A 22 -17.616 -10.336 3.725 1.00 0.00 C ATOM 289 O GLY A 22 -17.042 -11.422 3.805 1.00 0.00 O ATOM 0 H GLY A 22 -18.216 -9.555 6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.590 -11.099 4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -19.534 -9.391 3.651 1.00 0.00 H new ATOM 293 N HIS A 23 -17.046 -9.252 3.209 1.00 0.00 N ATOM 294 CA HIS A 23 -15.681 -9.277 2.696 1.00 0.00 C ATOM 295 C HIS A 23 -14.699 -9.698 3.784 1.00 0.00 C ATOM 296 O HIS A 23 -14.482 -8.970 4.754 1.00 0.00 O ATOM 297 CB HIS A 23 -15.295 -7.903 2.147 1.00 0.00 C ATOM 298 CG HIS A 23 -16.061 -7.511 0.921 1.00 0.00 C ATOM 299 ND1 HIS A 23 -15.506 -7.498 -0.341 1.00 0.00 N ATOM 300 CD2 HIS A 23 -17.347 -7.117 0.769 1.00 0.00 C ATOM 301 CE1 HIS A 23 -16.417 -7.111 -1.216 1.00 0.00 C ATOM 302 NE2 HIS A 23 -17.543 -6.875 -0.568 1.00 0.00 N ATOM 0 H HIS A 23 -17.508 -8.346 3.135 1.00 0.00 H new ATOM 0 HA HIS A 23 -15.636 -10.008 1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -15.456 -7.153 2.921 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -14.230 -7.899 1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.082 -7.012 1.553 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -16.266 -7.006 -2.280 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -18.417 -6.563 -0.992 1.00 0.00 H new ATOM 310 N HIS A 24 -14.108 -10.877 3.619 1.00 0.00 N ATOM 311 CA HIS A 24 -13.148 -11.394 4.588 1.00 0.00 C ATOM 312 C HIS A 24 -12.197 -10.295 5.050 1.00 0.00 C ATOM 313 O HIS A 24 -11.757 -9.452 4.269 1.00 0.00 O ATOM 314 CB HIS A 24 -12.354 -12.551 3.982 1.00 0.00 C ATOM 315 CG HIS A 24 -11.375 -13.168 4.933 1.00 0.00 C ATOM 316 ND1 HIS A 24 -10.109 -12.664 5.143 1.00 0.00 N ATOM 317 CD2 HIS A 24 -11.483 -14.254 5.735 1.00 0.00 C ATOM 318 CE1 HIS A 24 -9.480 -13.413 6.030 1.00 0.00 C ATOM 319 NE2 HIS A 24 -10.293 -14.385 6.406 1.00 0.00 N ATOM 0 H HIS A 24 -14.277 -11.493 2.823 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.702 -11.757 5.454 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.049 -13.318 3.640 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.818 -12.192 3.103 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -9.719 -11.841 4.684 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.345 -14.897 5.829 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.473 -13.258 6.387 1.00 0.00 H new ATOM 327 N PRO A 25 -11.871 -10.302 6.351 1.00 0.00 N ATOM 328 CA PRO A 25 -10.969 -9.312 6.947 1.00 0.00 C ATOM 329 C PRO A 25 -9.527 -9.490 6.485 1.00 0.00 C ATOM 330 O PRO A 25 -9.219 -10.403 5.720 1.00 0.00 O ATOM 331 CB PRO A 25 -11.086 -9.584 8.449 1.00 0.00 C ATOM 332 CG PRO A 25 -11.497 -11.013 8.545 1.00 0.00 C ATOM 333 CD PRO A 25 -12.358 -11.278 7.341 1.00 0.00 C ATOM 0 HA PRO A 25 -11.236 -8.294 6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.138 -9.410 8.958 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.822 -8.928 8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.627 -11.669 8.555 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.047 -11.200 9.467 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.246 -12.302 6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.415 -11.132 7.563 1.00 0.00 H new ATOM 341 N ASN A 26 -8.647 -8.611 6.954 1.00 0.00 N ATOM 342 CA ASN A 26 -7.237 -8.672 6.588 1.00 0.00 C ATOM 343 C ASN A 26 -7.072 -8.792 5.076 1.00 0.00 C ATOM 344 O ASN A 26 -6.187 -9.497 4.594 1.00 0.00 O ATOM 345 CB ASN A 26 -6.558 -9.854 7.282 1.00 0.00 C ATOM 346 CG ASN A 26 -6.118 -9.521 8.695 1.00 0.00 C ATOM 347 OD1 ASN A 26 -6.941 -9.410 9.604 1.00 0.00 O ATOM 348 ND2 ASN A 26 -4.814 -9.359 8.885 1.00 0.00 N ATOM 0 H ASN A 26 -8.886 -7.848 7.588 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.763 -7.747 6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.245 -10.700 7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.692 -10.165 6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.458 -9.133 9.814 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.168 -9.461 8.102 1.00 0.00 H new ATOM 355 N GLN A 27 -7.930 -8.098 4.336 1.00 0.00 N ATOM 356 CA GLN A 27 -7.879 -8.128 2.879 1.00 0.00 C ATOM 357 C GLN A 27 -6.993 -7.009 2.342 1.00 0.00 C ATOM 358 O GLN A 27 -5.897 -7.259 1.839 1.00 0.00 O ATOM 359 CB GLN A 27 -9.288 -8.002 2.296 1.00 0.00 C ATOM 360 CG GLN A 27 -9.376 -8.390 0.828 1.00 0.00 C ATOM 361 CD GLN A 27 -9.549 -9.883 0.629 1.00 0.00 C ATOM 362 OE1 GLN A 27 -8.702 -10.678 1.038 1.00 0.00 O ATOM 363 NE2 GLN A 27 -10.650 -10.273 -0.002 1.00 0.00 N ATOM 0 H GLN A 27 -8.668 -7.509 4.721 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.451 -9.083 2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.968 -8.631 2.871 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.630 -6.974 2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.214 -7.866 0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.473 -8.061 0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.326 -9.580 -0.324 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.820 -11.265 -0.165 1.00 0.00 H new ATOM 372 N TYR A 28 -7.473 -5.776 2.453 1.00 0.00 N ATOM 373 CA TYR A 28 -6.725 -4.618 1.976 1.00 0.00 C ATOM 374 C TYR A 28 -6.351 -3.697 3.133 1.00 0.00 C ATOM 375 O TYR A 28 -6.927 -3.779 4.218 1.00 0.00 O ATOM 376 CB TYR A 28 -7.545 -3.847 0.940 1.00 0.00 C ATOM 377 CG TYR A 28 -7.375 -4.361 -0.471 1.00 0.00 C ATOM 378 CD1 TYR A 28 -7.300 -5.724 -0.731 1.00 0.00 C ATOM 379 CD2 TYR A 28 -7.290 -3.484 -1.546 1.00 0.00 C ATOM 380 CE1 TYR A 28 -7.145 -6.199 -2.019 1.00 0.00 C ATOM 381 CE2 TYR A 28 -7.136 -3.950 -2.837 1.00 0.00 C ATOM 382 CZ TYR A 28 -7.063 -5.308 -3.069 1.00 0.00 C ATOM 383 OH TYR A 28 -6.910 -5.776 -4.353 1.00 0.00 O ATOM 0 H TYR A 28 -8.377 -5.552 2.869 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.807 -4.977 1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.599 -3.899 1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.259 -2.796 0.972 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.364 -6.425 0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.345 -2.420 -1.369 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.088 -7.262 -2.203 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.073 -3.255 -3.661 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.870 -5.019 -4.974 1.00 0.00 H new ATOM 393 N ALA A 29 -5.382 -2.820 2.893 1.00 0.00 N ATOM 394 CA ALA A 29 -4.931 -1.881 3.913 1.00 0.00 C ATOM 395 C ALA A 29 -5.271 -0.446 3.527 1.00 0.00 C ATOM 396 O ALA A 29 -5.156 -0.061 2.363 1.00 0.00 O ATOM 397 CB ALA A 29 -3.434 -2.028 4.141 1.00 0.00 C ATOM 0 H ALA A 29 -4.894 -2.740 2.001 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.453 -2.113 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.111 -1.321 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.214 -3.044 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.903 -1.825 3.211 1.00 0.00 H new ATOM 403 N THR A 30 -5.692 0.343 4.510 1.00 0.00 N ATOM 404 CA THR A 30 -6.051 1.735 4.273 1.00 0.00 C ATOM 405 C THR A 30 -4.954 2.676 4.758 1.00 0.00 C ATOM 406 O THR A 30 -4.647 2.727 5.949 1.00 0.00 O ATOM 407 CB THR A 30 -7.373 2.102 4.974 1.00 0.00 C ATOM 408 OG1 THR A 30 -8.378 1.132 4.661 1.00 0.00 O ATOM 409 CG2 THR A 30 -7.845 3.484 4.549 1.00 0.00 C ATOM 0 H THR A 30 -5.793 0.041 5.479 1.00 0.00 H new ATOM 0 HA THR A 30 -6.175 1.850 3.196 1.00 0.00 H new ATOM 0 HB THR A 30 -7.199 2.110 6.050 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.215 1.371 5.111 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.780 3.721 5.057 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.090 4.224 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.004 3.499 3.471 1.00 0.00 H new ATOM 417 N CYS A 31 -4.366 3.421 3.828 1.00 0.00 N ATOM 418 CA CYS A 31 -3.302 4.361 4.160 1.00 0.00 C ATOM 419 C CYS A 31 -3.819 5.465 5.077 1.00 0.00 C ATOM 420 O CYS A 31 -4.755 6.187 4.731 1.00 0.00 O ATOM 421 CB CYS A 31 -2.718 4.974 2.885 1.00 0.00 C ATOM 422 SG CYS A 31 -1.051 5.677 3.095 1.00 0.00 S ATOM 0 H CYS A 31 -4.609 3.392 2.838 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.518 3.814 4.684 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.683 4.209 2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.389 5.757 2.530 1.00 0.00 H new ATOM 427 N ARG A 32 -3.203 5.591 6.248 1.00 0.00 N ATOM 428 CA ARG A 32 -3.602 6.606 7.216 1.00 0.00 C ATOM 429 C ARG A 32 -2.985 7.958 6.870 1.00 0.00 C ATOM 430 O ARG A 32 -3.259 8.963 7.527 1.00 0.00 O ATOM 431 CB ARG A 32 -3.182 6.188 8.627 1.00 0.00 C ATOM 432 CG ARG A 32 -3.858 4.916 9.112 1.00 0.00 C ATOM 433 CD ARG A 32 -3.342 4.497 10.479 1.00 0.00 C ATOM 434 NE ARG A 32 -4.203 3.499 11.107 1.00 0.00 N ATOM 435 CZ ARG A 32 -5.324 3.799 11.755 1.00 0.00 C ATOM 436 NH1 ARG A 32 -5.716 5.061 11.858 1.00 0.00 N ATOM 437 NH2 ARG A 32 -6.055 2.835 12.300 1.00 0.00 N ATOM 0 H ARG A 32 -2.426 5.003 6.549 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.687 6.701 7.180 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.102 6.046 8.648 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.411 6.998 9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.936 5.071 9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.684 4.114 8.395 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.334 4.094 10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.272 5.373 11.124 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.929 2.518 11.045 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.157 5.804 11.439 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.577 5.289 12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.757 1.863 12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.915 3.066 12.797 1.00 0.00 H new ATOM 451 N LEU A 33 -2.152 7.976 5.836 1.00 0.00 N ATOM 452 CA LEU A 33 -1.496 9.204 5.402 1.00 0.00 C ATOM 453 C LEU A 33 -2.345 9.939 4.370 1.00 0.00 C ATOM 454 O LEU A 33 -2.655 11.120 4.532 1.00 0.00 O ATOM 455 CB LEU A 33 -0.118 8.891 4.817 1.00 0.00 C ATOM 456 CG LEU A 33 0.979 8.555 5.828 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.248 8.117 5.112 1.00 0.00 C ATOM 458 CD2 LEU A 33 1.259 9.749 6.728 1.00 0.00 C ATOM 0 H LEU A 33 -1.915 7.153 5.282 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.375 9.849 6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.220 8.052 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.208 9.748 4.228 1.00 0.00 H new ATOM 0 HG LEU A 33 0.633 7.730 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.018 7.882 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.039 7.233 4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.597 8.922 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.042 9.491 7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.584 10.594 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.351 10.018 7.268 1.00 0.00 H new ATOM 470 N CYS A 34 -2.719 9.233 3.308 1.00 0.00 N ATOM 471 CA CYS A 34 -3.534 9.817 2.249 1.00 0.00 C ATOM 472 C CYS A 34 -4.967 9.296 2.316 1.00 0.00 C ATOM 473 O CYS A 34 -5.922 10.055 2.157 1.00 0.00 O ATOM 474 CB CYS A 34 -2.928 9.502 0.880 1.00 0.00 C ATOM 475 SG CYS A 34 -2.821 7.723 0.505 1.00 0.00 S ATOM 0 H CYS A 34 -2.471 8.255 3.158 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.552 10.898 2.391 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.525 9.989 0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.928 9.934 0.829 1.00 0.00 H new ATOM 480 N GLY A 35 -5.108 7.995 2.552 1.00 0.00 N ATOM 481 CA GLY A 35 -6.427 7.396 2.635 1.00 0.00 C ATOM 482 C GLY A 35 -6.725 6.486 1.460 1.00 0.00 C ATOM 483 O GLY A 35 -7.886 6.281 1.105 1.00 0.00 O ATOM 0 H GLY A 35 -4.333 7.346 2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.506 6.827 3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.179 8.184 2.680 1.00 0.00 H new ATOM 487 N ARG A 36 -5.676 5.940 0.855 1.00 0.00 N ATOM 488 CA ARG A 36 -5.831 5.049 -0.289 1.00 0.00 C ATOM 489 C ARG A 36 -5.853 3.590 0.157 1.00 0.00 C ATOM 490 O ARG A 36 -5.634 3.287 1.329 1.00 0.00 O ATOM 491 CB ARG A 36 -4.698 5.271 -1.292 1.00 0.00 C ATOM 492 CG ARG A 36 -4.937 6.439 -2.234 1.00 0.00 C ATOM 493 CD ARG A 36 -4.165 6.275 -3.533 1.00 0.00 C ATOM 494 NE ARG A 36 -4.647 5.142 -4.318 1.00 0.00 N ATOM 495 CZ ARG A 36 -4.501 5.044 -5.635 1.00 0.00 C ATOM 496 NH1 ARG A 36 -3.889 6.007 -6.310 1.00 0.00 N ATOM 497 NH2 ARG A 36 -4.968 3.982 -6.278 1.00 0.00 N ATOM 0 H ARG A 36 -4.709 6.099 1.138 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.782 5.278 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.769 5.440 -0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.562 4.363 -1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.002 6.521 -2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.638 7.367 -1.747 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.251 7.187 -4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.107 6.138 -3.311 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.122 4.384 -3.828 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.529 6.825 -5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.778 5.930 -7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.440 3.240 -5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.855 3.908 -7.289 1.00 0.00 H new ATOM 511 N GLN A 37 -6.119 2.693 -0.787 1.00 0.00 N ATOM 512 CA GLN A 37 -6.170 1.266 -0.490 1.00 0.00 C ATOM 513 C GLN A 37 -4.972 0.541 -1.094 1.00 0.00 C ATOM 514 O GLN A 37 -4.703 0.654 -2.290 1.00 0.00 O ATOM 515 CB GLN A 37 -7.469 0.659 -1.022 1.00 0.00 C ATOM 516 CG GLN A 37 -8.715 1.422 -0.600 1.00 0.00 C ATOM 517 CD GLN A 37 -9.291 0.919 0.709 1.00 0.00 C ATOM 518 OE1 GLN A 37 -9.198 -0.267 1.027 1.00 0.00 O ATOM 519 NE2 GLN A 37 -9.891 1.821 1.477 1.00 0.00 N ATOM 0 H GLN A 37 -6.302 2.928 -1.762 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.137 1.145 0.593 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.425 0.625 -2.111 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.548 -0.371 -0.674 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.473 2.480 -0.503 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.470 1.338 -1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.945 2.794 1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.298 1.541 2.370 1.00 0.00 H new ATOM 528 N VAL A 38 -4.254 -0.204 -0.259 1.00 0.00 N ATOM 529 CA VAL A 38 -3.085 -0.948 -0.710 1.00 0.00 C ATOM 530 C VAL A 38 -3.084 -2.365 -0.147 1.00 0.00 C ATOM 531 O VAL A 38 -2.919 -2.565 1.056 1.00 0.00 O ATOM 532 CB VAL A 38 -1.778 -0.244 -0.300 1.00 0.00 C ATOM 533 CG1 VAL A 38 -0.573 -0.988 -0.853 1.00 0.00 C ATOM 534 CG2 VAL A 38 -1.783 1.203 -0.770 1.00 0.00 C ATOM 0 H VAL A 38 -4.462 -0.308 0.734 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.139 -0.992 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.709 -0.249 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.341 -0.475 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.563 -2.006 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.631 -1.017 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.852 1.686 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.876 1.233 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.625 1.729 -0.320 1.00 0.00 H new ATOM 544 N SER A 39 -3.269 -3.345 -1.025 1.00 0.00 N ATOM 545 CA SER A 39 -3.293 -4.744 -0.615 1.00 0.00 C ATOM 546 C SER A 39 -1.892 -5.346 -0.656 1.00 0.00 C ATOM 547 O SER A 39 -1.033 -4.897 -1.415 1.00 0.00 O ATOM 548 CB SER A 39 -4.231 -5.546 -1.519 1.00 0.00 C ATOM 549 OG SER A 39 -3.654 -5.756 -2.796 1.00 0.00 O ATOM 0 H SER A 39 -3.404 -3.196 -2.025 1.00 0.00 H new ATOM 0 HA SER A 39 -3.660 -4.790 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.454 -6.507 -1.055 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.178 -5.016 -1.627 1.00 0.00 H new ATOM 0 HG SER A 39 -4.273 -6.272 -3.354 1.00 0.00 H new ATOM 555 N ARG A 40 -1.668 -6.366 0.167 1.00 0.00 N ATOM 556 CA ARG A 40 -0.372 -7.029 0.227 1.00 0.00 C ATOM 557 C ARG A 40 -0.457 -8.442 -0.344 1.00 0.00 C ATOM 558 O ARG A 40 0.385 -8.851 -1.142 1.00 0.00 O ATOM 559 CB ARG A 40 0.132 -7.081 1.671 1.00 0.00 C ATOM 560 CG ARG A 40 -0.851 -7.721 2.637 1.00 0.00 C ATOM 561 CD ARG A 40 -0.282 -7.792 4.045 1.00 0.00 C ATOM 562 NE ARG A 40 0.453 -9.033 4.276 1.00 0.00 N ATOM 563 CZ ARG A 40 0.715 -9.517 5.485 1.00 0.00 C ATOM 564 NH1 ARG A 40 0.304 -8.869 6.566 1.00 0.00 N ATOM 565 NH2 ARG A 40 1.390 -10.652 5.614 1.00 0.00 N ATOM 0 H ARG A 40 -2.368 -6.751 0.801 1.00 0.00 H new ATOM 0 HA ARG A 40 0.331 -6.453 -0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.070 -7.636 1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.351 -6.067 2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.778 -7.148 2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.100 -8.725 2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.380 -6.942 4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.093 -7.711 4.768 1.00 0.00 H new ATOM 0 HE ARG A 40 0.783 -9.556 3.465 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.215 -7.996 6.471 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.507 -9.243 7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.708 -11.153 4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.591 -11.023 6.543 1.00 0.00 H new ATOM 579 N GLY A 41 -1.480 -9.182 0.072 1.00 0.00 N ATOM 580 CA GLY A 41 -1.656 -10.540 -0.407 1.00 0.00 C ATOM 581 C GLY A 41 -1.525 -11.567 0.700 1.00 0.00 C ATOM 582 O GLY A 41 -1.090 -11.262 1.810 1.00 0.00 O ATOM 0 H GLY A 41 -2.190 -8.865 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.638 -10.634 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.917 -10.748 -1.180 1.00 0.00 H new ATOM 586 N PRO A 42 -1.910 -12.817 0.401 1.00 0.00 N ATOM 587 CA PRO A 42 -1.843 -13.918 1.367 1.00 0.00 C ATOM 588 C PRO A 42 -0.409 -14.329 1.680 1.00 0.00 C ATOM 589 O PRO A 42 -0.172 -15.235 2.478 1.00 0.00 O ATOM 590 CB PRO A 42 -2.583 -15.056 0.659 1.00 0.00 C ATOM 591 CG PRO A 42 -2.446 -14.752 -0.793 1.00 0.00 C ATOM 592 CD PRO A 42 -2.438 -13.252 -0.903 1.00 0.00 C ATOM 0 HA PRO A 42 -2.275 -13.643 2.329 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.147 -16.024 0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.630 -15.094 0.958 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.527 -15.178 -1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.272 -15.181 -1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.808 -12.913 -1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.438 -12.857 -1.084 1.00 0.00 H new ATOM 600 N GLY A 43 0.547 -13.656 1.046 1.00 0.00 N ATOM 601 CA GLY A 43 1.947 -13.966 1.271 1.00 0.00 C ATOM 602 C GLY A 43 2.819 -12.727 1.293 1.00 0.00 C ATOM 603 O GLY A 43 3.333 -12.339 2.343 1.00 0.00 O ATOM 0 H GLY A 43 0.377 -12.902 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.051 -14.496 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.297 -14.639 0.488 1.00 0.00 H new ATOM 607 N VAL A 44 2.988 -12.103 0.132 1.00 0.00 N ATOM 608 CA VAL A 44 3.805 -10.900 0.022 1.00 0.00 C ATOM 609 C VAL A 44 5.114 -11.053 0.788 1.00 0.00 C ATOM 610 O VAL A 44 5.657 -10.080 1.309 1.00 0.00 O ATOM 611 CB VAL A 44 3.055 -9.662 0.551 1.00 0.00 C ATOM 612 CG1 VAL A 44 2.890 -9.742 2.061 1.00 0.00 C ATOM 613 CG2 VAL A 44 3.784 -8.388 0.152 1.00 0.00 C ATOM 0 H VAL A 44 2.570 -12.410 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 44 4.021 -10.760 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 44 2.062 -9.641 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.358 -8.859 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.322 -10.636 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.872 -9.788 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.241 -7.523 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.790 -8.398 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.844 -8.328 -0.935 1.00 0.00 H new ATOM 623 N ASN A 45 5.616 -12.282 0.852 1.00 0.00 N ATOM 624 CA ASN A 45 6.862 -12.563 1.555 1.00 0.00 C ATOM 625 C ASN A 45 8.067 -12.257 0.669 1.00 0.00 C ATOM 626 O ASN A 45 8.667 -13.160 0.086 1.00 0.00 O ATOM 627 CB ASN A 45 6.902 -14.026 2.002 1.00 0.00 C ATOM 628 CG ASN A 45 7.753 -14.229 3.240 1.00 0.00 C ATOM 629 OD1 ASN A 45 8.732 -14.976 3.218 1.00 0.00 O ATOM 630 ND2 ASN A 45 7.383 -13.565 4.328 1.00 0.00 N ATOM 0 H ASN A 45 5.179 -13.099 0.426 1.00 0.00 H new ATOM 0 HA ASN A 45 6.907 -11.921 2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.887 -14.370 2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.293 -14.640 1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.917 -13.663 5.192 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.565 -12.957 4.301 1.00 0.00 H new ATOM 637 N VAL A 46 8.416 -10.978 0.575 1.00 0.00 N ATOM 638 CA VAL A 46 9.549 -10.553 -0.238 1.00 0.00 C ATOM 639 C VAL A 46 10.510 -9.687 0.570 1.00 0.00 C ATOM 640 O VAL A 46 11.725 -9.869 0.511 1.00 0.00 O ATOM 641 CB VAL A 46 9.087 -9.768 -1.479 1.00 0.00 C ATOM 642 CG1 VAL A 46 8.227 -10.645 -2.376 1.00 0.00 C ATOM 643 CG2 VAL A 46 8.333 -8.513 -1.066 1.00 0.00 C ATOM 0 H VAL A 46 7.930 -10.218 1.052 1.00 0.00 H new ATOM 0 HA VAL A 46 10.064 -11.458 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 46 9.968 -9.465 -2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.910 -10.073 -3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.805 -11.511 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.349 -10.981 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.014 -7.971 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.459 -8.791 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.985 -7.877 -0.468 1.00 0.00 H new ATOM 653 N GLY A 47 9.955 -8.743 1.324 1.00 0.00 N ATOM 654 CA GLY A 47 10.776 -7.861 2.133 1.00 0.00 C ATOM 655 C GLY A 47 10.153 -6.492 2.315 1.00 0.00 C ATOM 656 O GLY A 47 9.760 -6.121 3.421 1.00 0.00 O ATOM 0 H GLY A 47 8.951 -8.573 1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.938 -8.316 3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.755 -7.752 1.666 1.00 0.00 H new ATOM 660 N THR A 48 10.062 -5.735 1.225 1.00 0.00 N ATOM 661 CA THR A 48 9.485 -4.398 1.269 1.00 0.00 C ATOM 662 C THR A 48 7.963 -4.453 1.201 1.00 0.00 C ATOM 663 O THR A 48 7.375 -4.359 0.124 1.00 0.00 O ATOM 664 CB THR A 48 10.007 -3.522 0.115 1.00 0.00 C ATOM 665 OG1 THR A 48 11.439 -3.502 0.124 1.00 0.00 O ATOM 666 CG2 THR A 48 9.475 -2.102 0.229 1.00 0.00 C ATOM 0 H THR A 48 10.381 -6.026 0.301 1.00 0.00 H new ATOM 0 HA THR A 48 9.788 -3.955 2.218 1.00 0.00 H new ATOM 0 HB THR A 48 9.655 -3.950 -0.824 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.763 -2.944 -0.614 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.858 -1.503 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.386 -2.117 0.192 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.800 -1.667 1.174 1.00 0.00 H new ATOM 674 N THR A 49 7.329 -4.607 2.360 1.00 0.00 N ATOM 675 CA THR A 49 5.875 -4.675 2.432 1.00 0.00 C ATOM 676 C THR A 49 5.229 -3.738 1.417 1.00 0.00 C ATOM 677 O THR A 49 5.571 -2.559 1.342 1.00 0.00 O ATOM 678 CB THR A 49 5.364 -4.318 3.840 1.00 0.00 C ATOM 679 OG1 THR A 49 6.222 -4.893 4.832 1.00 0.00 O ATOM 680 CG2 THR A 49 3.941 -4.815 4.043 1.00 0.00 C ATOM 0 H THR A 49 7.800 -4.687 3.261 1.00 0.00 H new ATOM 0 HA THR A 49 5.596 -5.703 2.202 1.00 0.00 H new ATOM 0 HB THR A 49 5.369 -3.233 3.940 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.918 -4.248 5.077 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.603 -4.551 5.045 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.285 -4.353 3.305 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.914 -5.898 3.925 1.00 0.00 H new ATOM 688 N ALA A 50 4.293 -4.271 0.638 1.00 0.00 N ATOM 689 CA ALA A 50 3.598 -3.481 -0.370 1.00 0.00 C ATOM 690 C ALA A 50 3.377 -2.051 0.109 1.00 0.00 C ATOM 691 O ALA A 50 3.449 -1.104 -0.675 1.00 0.00 O ATOM 692 CB ALA A 50 2.270 -4.132 -0.727 1.00 0.00 C ATOM 0 H ALA A 50 3.999 -5.247 0.686 1.00 0.00 H new ATOM 0 HA ALA A 50 4.223 -3.444 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.761 -3.531 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.449 -5.133 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.646 -4.199 0.164 1.00 0.00 H new ATOM 698 N LEU A 51 3.106 -1.900 1.401 1.00 0.00 N ATOM 699 CA LEU A 51 2.873 -0.584 1.986 1.00 0.00 C ATOM 700 C LEU A 51 4.062 0.339 1.740 1.00 0.00 C ATOM 701 O LEU A 51 3.909 1.435 1.200 1.00 0.00 O ATOM 702 CB LEU A 51 2.613 -0.711 3.488 1.00 0.00 C ATOM 703 CG LEU A 51 1.601 -1.778 3.906 1.00 0.00 C ATOM 704 CD1 LEU A 51 1.616 -1.965 5.416 1.00 0.00 C ATOM 705 CD2 LEU A 51 0.206 -1.407 3.427 1.00 0.00 C ATOM 0 H LEU A 51 3.042 -2.673 2.064 1.00 0.00 H new ATOM 0 HA LEU A 51 1.995 -0.150 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.560 -0.923 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.268 0.254 3.860 1.00 0.00 H new ATOM 0 HG LEU A 51 1.884 -2.722 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.890 -2.728 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.611 -2.277 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.358 -1.024 5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.501 -2.178 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.087 -0.452 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.204 -1.325 2.340 1.00 0.00 H new ATOM 717 N TRP A 52 5.246 -0.112 2.138 1.00 0.00 N ATOM 718 CA TRP A 52 6.462 0.673 1.958 1.00 0.00 C ATOM 719 C TRP A 52 6.541 1.241 0.545 1.00 0.00 C ATOM 720 O TRP A 52 6.700 2.447 0.358 1.00 0.00 O ATOM 721 CB TRP A 52 7.695 -0.185 2.245 1.00 0.00 C ATOM 722 CG TRP A 52 7.931 -0.417 3.707 1.00 0.00 C ATOM 723 CD1 TRP A 52 7.720 -1.576 4.398 1.00 0.00 C ATOM 724 CD2 TRP A 52 8.419 0.536 4.658 1.00 0.00 C ATOM 725 NE1 TRP A 52 8.049 -1.402 5.721 1.00 0.00 N ATOM 726 CE2 TRP A 52 8.481 -0.115 5.906 1.00 0.00 C ATOM 727 CE3 TRP A 52 8.812 1.874 4.577 1.00 0.00 C ATOM 728 CZ2 TRP A 52 8.918 0.529 7.060 1.00 0.00 C ATOM 729 CZ3 TRP A 52 9.245 2.512 5.724 1.00 0.00 C ATOM 730 CH2 TRP A 52 9.297 1.839 6.952 1.00 0.00 C ATOM 0 H TRP A 52 5.390 -1.016 2.587 1.00 0.00 H new ATOM 0 HA TRP A 52 6.434 1.505 2.662 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.583 -1.147 1.745 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.573 0.298 1.815 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.349 -2.495 3.968 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.982 -2.115 6.447 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.778 2.401 3.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 8.957 0.012 8.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.549 3.547 5.673 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.643 2.365 7.830 1.00 0.00 H new ATOM 741 N LYS A 53 6.427 0.364 -0.447 1.00 0.00 N ATOM 742 CA LYS A 53 6.483 0.778 -1.844 1.00 0.00 C ATOM 743 C LYS A 53 5.615 2.009 -2.082 1.00 0.00 C ATOM 744 O LYS A 53 6.026 2.949 -2.763 1.00 0.00 O ATOM 745 CB LYS A 53 6.028 -0.365 -2.754 1.00 0.00 C ATOM 746 CG LYS A 53 7.090 -1.428 -2.974 1.00 0.00 C ATOM 747 CD LYS A 53 6.476 -2.750 -3.404 1.00 0.00 C ATOM 748 CE LYS A 53 7.543 -3.803 -3.658 1.00 0.00 C ATOM 749 NZ LYS A 53 6.983 -5.182 -3.611 1.00 0.00 N ATOM 0 H LYS A 53 6.295 -0.638 -0.309 1.00 0.00 H new ATOM 0 HA LYS A 53 7.516 1.033 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.143 -0.832 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.732 0.046 -3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.794 -1.089 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.658 -1.572 -2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.792 -3.103 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.887 -2.602 -4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.000 -3.630 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.333 -3.706 -2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.741 -5.871 -3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.569 -5.357 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.246 -5.283 -4.338 1.00 0.00 H new ATOM 763 N HIS A 54 4.412 1.997 -1.517 1.00 0.00 N ATOM 764 CA HIS A 54 3.486 3.114 -1.667 1.00 0.00 C ATOM 765 C HIS A 54 4.003 4.350 -0.937 1.00 0.00 C ATOM 766 O HIS A 54 3.951 5.462 -1.464 1.00 0.00 O ATOM 767 CB HIS A 54 2.104 2.734 -1.133 1.00 0.00 C ATOM 768 CG HIS A 54 1.111 3.853 -1.191 1.00 0.00 C ATOM 769 ND1 HIS A 54 0.618 4.362 -2.373 1.00 0.00 N ATOM 770 CD2 HIS A 54 0.517 4.562 -0.201 1.00 0.00 C ATOM 771 CE1 HIS A 54 -0.235 5.336 -2.110 1.00 0.00 C ATOM 772 NE2 HIS A 54 -0.314 5.477 -0.799 1.00 0.00 N ATOM 0 H HIS A 54 4.056 1.227 -0.951 1.00 0.00 H new ATOM 0 HA HIS A 54 3.406 3.347 -2.729 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.722 1.890 -1.707 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.202 2.399 -0.100 1.00 0.00 H new ATOM 0 HD1 HIS A 54 0.872 4.037 -3.306 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.669 4.432 0.860 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.776 5.918 -2.842 1.00 0.00 H new ATOM 780 N LEU A 55 4.500 4.149 0.278 1.00 0.00 N ATOM 781 CA LEU A 55 5.027 5.247 1.081 1.00 0.00 C ATOM 782 C LEU A 55 6.198 5.925 0.376 1.00 0.00 C ATOM 783 O LEU A 55 6.254 7.151 0.281 1.00 0.00 O ATOM 784 CB LEU A 55 5.469 4.736 2.453 1.00 0.00 C ATOM 785 CG LEU A 55 4.360 4.207 3.363 1.00 0.00 C ATOM 786 CD1 LEU A 55 4.946 3.373 4.491 1.00 0.00 C ATOM 787 CD2 LEU A 55 3.535 5.358 3.921 1.00 0.00 C ATOM 0 H LEU A 55 4.549 3.236 0.729 1.00 0.00 H new ATOM 0 HA LEU A 55 4.232 5.981 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.199 3.941 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.982 5.546 2.972 1.00 0.00 H new ATOM 0 HG LEU A 55 3.704 3.569 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.141 3.006 5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.492 2.528 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.625 3.987 5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.750 4.964 4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.180 6.022 4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.084 5.914 3.099 1.00 0.00 H new ATOM 799 N LYS A 56 7.131 5.118 -0.118 1.00 0.00 N ATOM 800 CA LYS A 56 8.300 5.638 -0.817 1.00 0.00 C ATOM 801 C LYS A 56 7.932 6.093 -2.226 1.00 0.00 C ATOM 802 O LYS A 56 8.735 6.724 -2.914 1.00 0.00 O ATOM 803 CB LYS A 56 9.396 4.572 -0.884 1.00 0.00 C ATOM 804 CG LYS A 56 9.674 3.902 0.451 1.00 0.00 C ATOM 805 CD LYS A 56 10.122 2.461 0.269 1.00 0.00 C ATOM 806 CE LYS A 56 11.636 2.357 0.170 1.00 0.00 C ATOM 807 NZ LYS A 56 12.067 1.034 -0.361 1.00 0.00 N ATOM 0 H LYS A 56 7.100 4.101 -0.047 1.00 0.00 H new ATOM 0 HA LYS A 56 8.672 6.498 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.108 3.812 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.315 5.030 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.444 4.459 0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.775 3.930 1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.769 1.860 1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.668 2.049 -0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.013 3.149 -0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.076 2.514 1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.105 1.002 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.729 0.280 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.668 0.895 -1.311 1.00 0.00 H new ATOM 821 N SER A 57 6.715 5.769 -2.649 1.00 0.00 N ATOM 822 CA SER A 57 6.242 6.143 -3.977 1.00 0.00 C ATOM 823 C SER A 57 5.684 7.563 -3.976 1.00 0.00 C ATOM 824 O SER A 57 5.895 8.325 -4.918 1.00 0.00 O ATOM 825 CB SER A 57 5.170 5.162 -4.455 1.00 0.00 C ATOM 826 OG SER A 57 4.663 5.538 -5.724 1.00 0.00 O ATOM 0 H SER A 57 6.038 5.248 -2.092 1.00 0.00 H new ATOM 0 HA SER A 57 7.090 6.105 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.591 4.158 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.356 5.127 -3.731 1.00 0.00 H new ATOM 0 HG SER A 57 3.981 4.894 -6.008 1.00 0.00 H new ATOM 832 N MET A 58 4.969 7.910 -2.910 1.00 0.00 N ATOM 833 CA MET A 58 4.381 9.238 -2.784 1.00 0.00 C ATOM 834 C MET A 58 4.779 9.886 -1.462 1.00 0.00 C ATOM 835 O MET A 58 4.966 11.101 -1.386 1.00 0.00 O ATOM 836 CB MET A 58 2.856 9.156 -2.887 1.00 0.00 C ATOM 837 CG MET A 58 2.209 8.404 -1.736 1.00 0.00 C ATOM 838 SD MET A 58 0.469 8.823 -1.523 1.00 0.00 S ATOM 839 CE MET A 58 -0.098 8.789 -3.221 1.00 0.00 C ATOM 0 H MET A 58 4.783 7.290 -2.122 1.00 0.00 H new ATOM 0 HA MET A 58 4.760 9.855 -3.599 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.448 10.166 -2.925 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.589 8.668 -3.825 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.302 7.332 -1.910 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.747 8.625 -0.814 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.185 8.709 -3.240 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.207 9.706 -3.725 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.338 7.931 -3.733 1.00 0.00 H new ATOM 849 N HIS A 59 4.905 9.068 -0.422 1.00 0.00 N ATOM 850 CA HIS A 59 5.281 9.563 0.898 1.00 0.00 C ATOM 851 C HIS A 59 6.792 9.487 1.096 1.00 0.00 C ATOM 852 O HIS A 59 7.281 9.498 2.226 1.00 0.00 O ATOM 853 CB HIS A 59 4.571 8.759 1.988 1.00 0.00 C ATOM 854 CG HIS A 59 3.078 8.793 1.881 1.00 0.00 C ATOM 855 ND1 HIS A 59 2.334 9.936 2.090 1.00 0.00 N ATOM 856 CD2 HIS A 59 2.189 7.817 1.583 1.00 0.00 C ATOM 857 CE1 HIS A 59 1.053 9.660 1.927 1.00 0.00 C ATOM 858 NE2 HIS A 59 0.937 8.381 1.618 1.00 0.00 N ATOM 0 H HIS A 59 4.753 8.060 -0.467 1.00 0.00 H new ATOM 0 HA HIS A 59 4.975 10.607 0.969 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.907 7.723 1.941 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.866 9.146 2.964 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.714 10.851 2.332 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.421 6.786 1.359 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.238 10.361 2.029 1.00 0.00 H new ATOM 866 N ARG A 60 7.526 9.410 -0.009 1.00 0.00 N ATOM 867 CA ARG A 60 8.981 9.331 0.044 1.00 0.00 C ATOM 868 C ARG A 60 9.549 10.390 0.984 1.00 0.00 C ATOM 869 O ARG A 60 10.527 10.145 1.690 1.00 0.00 O ATOM 870 CB ARG A 60 9.573 9.506 -1.356 1.00 0.00 C ATOM 871 CG ARG A 60 11.090 9.612 -1.366 1.00 0.00 C ATOM 872 CD ARG A 60 11.598 10.201 -2.672 1.00 0.00 C ATOM 873 NE ARG A 60 11.210 11.600 -2.829 1.00 0.00 N ATOM 874 CZ ARG A 60 11.852 12.457 -3.615 1.00 0.00 C ATOM 875 NH1 ARG A 60 12.907 12.060 -4.312 1.00 0.00 N ATOM 876 NH2 ARG A 60 11.438 13.715 -3.705 1.00 0.00 N ATOM 0 H ARG A 60 7.137 9.401 -0.952 1.00 0.00 H new ATOM 0 HA ARG A 60 9.253 8.347 0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.272 8.662 -1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.151 10.403 -1.810 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.418 10.234 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.526 8.624 -1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.684 10.120 -2.708 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.207 9.620 -3.508 1.00 0.00 H new ATOM 0 HE ARG A 60 10.402 11.938 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.228 11.094 -4.246 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.398 12.720 -4.915 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.626 14.024 -3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.932 14.372 -4.309 1.00 0.00 H new ATOM 890 N GLU A 61 8.929 11.566 0.987 1.00 0.00 N ATOM 891 CA GLU A 61 9.375 12.662 1.839 1.00 0.00 C ATOM 892 C GLU A 61 9.052 12.378 3.303 1.00 0.00 C ATOM 893 O GLU A 61 9.900 12.545 4.180 1.00 0.00 O ATOM 894 CB GLU A 61 8.718 13.974 1.406 1.00 0.00 C ATOM 895 CG GLU A 61 9.229 14.500 0.075 1.00 0.00 C ATOM 896 CD GLU A 61 10.523 15.279 0.214 1.00 0.00 C ATOM 897 OE1 GLU A 61 11.568 14.650 0.479 1.00 0.00 O ATOM 898 OE2 GLU A 61 10.490 16.518 0.057 1.00 0.00 O ATOM 0 H GLU A 61 8.117 11.784 0.409 1.00 0.00 H new ATOM 0 HA GLU A 61 10.456 12.754 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.640 13.826 1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.889 14.727 2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.384 13.664 -0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.470 15.141 -0.374 1.00 0.00 H new ATOM 905 N GLU A 62 7.821 11.947 3.559 1.00 0.00 N ATOM 906 CA GLU A 62 7.386 11.641 4.917 1.00 0.00 C ATOM 907 C GLU A 62 8.306 10.610 5.564 1.00 0.00 C ATOM 908 O GLU A 62 8.522 10.628 6.776 1.00 0.00 O ATOM 909 CB GLU A 62 5.946 11.123 4.910 1.00 0.00 C ATOM 910 CG GLU A 62 4.904 12.220 5.052 1.00 0.00 C ATOM 911 CD GLU A 62 5.132 13.369 4.090 1.00 0.00 C ATOM 912 OE1 GLU A 62 5.284 13.107 2.879 1.00 0.00 O ATOM 913 OE2 GLU A 62 5.159 14.531 4.548 1.00 0.00 O ATOM 0 H GLU A 62 7.108 11.802 2.845 1.00 0.00 H new ATOM 0 HA GLU A 62 7.431 12.560 5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.768 10.582 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.822 10.408 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.913 11.799 4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.917 12.599 6.074 1.00 0.00 H new ATOM 920 N LEU A 63 8.845 9.712 4.747 1.00 0.00 N ATOM 921 CA LEU A 63 9.742 8.671 5.238 1.00 0.00 C ATOM 922 C LEU A 63 11.128 9.239 5.527 1.00 0.00 C ATOM 923 O LEU A 63 11.645 9.104 6.635 1.00 0.00 O ATOM 924 CB LEU A 63 9.846 7.536 4.218 1.00 0.00 C ATOM 925 CG LEU A 63 8.527 6.883 3.804 1.00 0.00 C ATOM 926 CD1 LEU A 63 8.760 5.864 2.699 1.00 0.00 C ATOM 927 CD2 LEU A 63 7.856 6.229 5.003 1.00 0.00 C ATOM 0 H LEU A 63 8.677 9.683 3.741 1.00 0.00 H new ATOM 0 HA LEU A 63 9.329 8.279 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.334 7.922 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.497 6.764 4.628 1.00 0.00 H new ATOM 0 HG LEU A 63 7.864 7.659 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.810 5.409 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.196 6.361 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.441 5.091 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.919 5.769 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.514 5.465 5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.654 6.984 5.763 1.00 0.00 H new ATOM 939 N GLU A 64 11.722 9.876 4.523 1.00 0.00 N ATOM 940 CA GLU A 64 13.047 10.466 4.671 1.00 0.00 C ATOM 941 C GLU A 64 13.080 11.445 5.840 1.00 0.00 C ATOM 942 O GLU A 64 13.939 11.356 6.717 1.00 0.00 O ATOM 943 CB GLU A 64 13.459 11.180 3.382 1.00 0.00 C ATOM 944 CG GLU A 64 13.555 10.256 2.179 1.00 0.00 C ATOM 945 CD GLU A 64 14.838 9.449 2.164 1.00 0.00 C ATOM 946 OE1 GLU A 64 15.137 8.790 3.182 1.00 0.00 O ATOM 947 OE2 GLU A 64 15.544 9.476 1.134 1.00 0.00 O ATOM 0 H GLU A 64 11.307 9.997 3.599 1.00 0.00 H new ATOM 0 HA GLU A 64 13.754 9.661 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.738 11.969 3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.424 11.663 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.703 9.576 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.491 10.847 1.266 1.00 0.00 H new ATOM 954 N LYS A 65 12.137 12.381 5.846 1.00 0.00 N ATOM 955 CA LYS A 65 12.054 13.379 6.907 1.00 0.00 C ATOM 956 C LYS A 65 12.160 12.723 8.280 1.00 0.00 C ATOM 957 O LYS A 65 12.686 13.314 9.222 1.00 0.00 O ATOM 958 CB LYS A 65 10.742 14.158 6.802 1.00 0.00 C ATOM 959 CG LYS A 65 9.523 13.357 7.225 1.00 0.00 C ATOM 960 CD LYS A 65 8.337 14.260 7.522 1.00 0.00 C ATOM 961 CE LYS A 65 7.266 13.530 8.317 1.00 0.00 C ATOM 962 NZ LYS A 65 6.145 14.433 8.699 1.00 0.00 N ATOM 0 H LYS A 65 11.419 12.470 5.127 1.00 0.00 H new ATOM 0 HA LYS A 65 12.889 14.069 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.810 15.053 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.608 14.491 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.257 12.654 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.763 12.768 8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.674 15.133 8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.912 14.624 6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.878 12.700 7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.710 13.102 9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.436 13.897 9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.510 15.212 9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.705 14.822 7.841 1.00 0.00 H new ATOM 976 N SER A 66 11.657 11.497 8.385 1.00 0.00 N ATOM 977 CA SER A 66 11.692 10.761 9.644 1.00 0.00 C ATOM 978 C SER A 66 12.970 9.936 9.755 1.00 0.00 C ATOM 979 O SER A 66 13.845 10.232 10.568 1.00 0.00 O ATOM 980 CB SER A 66 10.470 9.849 9.761 1.00 0.00 C ATOM 981 OG SER A 66 10.095 9.669 11.115 1.00 0.00 O ATOM 0 H SER A 66 11.220 10.992 7.614 1.00 0.00 H new ATOM 0 HA SER A 66 11.675 11.484 10.460 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.637 10.279 9.204 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.690 8.881 9.310 1.00 0.00 H new ATOM 0 HG SER A 66 9.310 9.084 11.162 1.00 0.00 H new ATOM 987 N GLY A 67 13.070 8.898 8.930 1.00 0.00 N ATOM 988 CA GLY A 67 14.244 8.044 8.951 1.00 0.00 C ATOM 989 C GLY A 67 13.925 6.610 8.576 1.00 0.00 C ATOM 990 O GLY A 67 14.512 5.674 9.118 1.00 0.00 O ATOM 0 H GLY A 67 12.359 8.633 8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.989 8.439 8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.688 8.066 9.946 1.00 0.00 H new ATOM 994 N HIS A 68 12.991 6.437 7.646 1.00 0.00 N ATOM 995 CA HIS A 68 12.594 5.107 7.199 1.00 0.00 C ATOM 996 C HIS A 68 12.817 4.948 5.698 1.00 0.00 C ATOM 997 O HIS A 68 12.002 4.347 5.000 1.00 0.00 O ATOM 998 CB HIS A 68 11.125 4.849 7.539 1.00 0.00 C ATOM 999 CG HIS A 68 10.833 4.893 9.007 1.00 0.00 C ATOM 1000 ND1 HIS A 68 11.501 4.117 9.931 1.00 0.00 N ATOM 1001 CD2 HIS A 68 9.941 5.628 9.710 1.00 0.00 C ATOM 1002 CE1 HIS A 68 11.030 4.371 11.138 1.00 0.00 C ATOM 1003 NE2 HIS A 68 10.082 5.285 11.032 1.00 0.00 N ATOM 0 H HIS A 68 12.495 7.201 7.187 1.00 0.00 H new ATOM 0 HA HIS A 68 13.213 4.376 7.719 1.00 0.00 H new ATOM 0 HB2 HIS A 68 10.508 5.590 7.032 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.836 3.873 7.149 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.247 6.350 9.306 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.363 3.910 12.056 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.543 5.673 11.806 1.00 0.00 H new ATOM 1011 N GLY A 69 13.927 5.493 5.209 1.00 0.00 N ATOM 1012 CA GLY A 69 14.236 5.401 3.794 1.00 0.00 C ATOM 1013 C GLY A 69 14.892 4.085 3.427 1.00 0.00 C ATOM 1014 O GLY A 69 14.391 3.352 2.575 1.00 0.00 O ATOM 0 H GLY A 69 14.617 5.996 5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.319 5.519 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.896 6.222 3.516 1.00 0.00 H new ATOM 1018 N GLN A 70 16.015 3.786 4.071 1.00 0.00 N ATOM 1019 CA GLN A 70 16.741 2.549 3.806 1.00 0.00 C ATOM 1020 C GLN A 70 16.226 1.416 4.687 1.00 0.00 C ATOM 1021 O GLN A 70 16.816 1.104 5.721 1.00 0.00 O ATOM 1022 CB GLN A 70 18.239 2.753 4.040 1.00 0.00 C ATOM 1023 CG GLN A 70 18.839 3.871 3.203 1.00 0.00 C ATOM 1024 CD GLN A 70 19.333 3.390 1.853 1.00 0.00 C ATOM 1025 OE1 GLN A 70 19.513 2.191 1.636 1.00 0.00 O ATOM 1026 NE2 GLN A 70 19.556 4.324 0.936 1.00 0.00 N ATOM 0 H GLN A 70 16.442 4.383 4.780 1.00 0.00 H new ATOM 0 HA GLN A 70 16.577 2.277 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 70 18.407 2.970 5.095 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.763 1.823 3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 70 18.091 4.650 3.055 1.00 0.00 H new ATOM 0 HG3 GLN A 70 19.667 4.323 3.748 1.00 0.00 H new ATOM 0 HE21 GLN A 70 19.394 5.306 1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 70 19.890 4.059 0.009 1.00 0.00 H new ATOM 1035 N SER A 71 15.122 0.804 4.270 1.00 0.00 N ATOM 1036 CA SER A 71 14.526 -0.293 5.024 1.00 0.00 C ATOM 1037 C SER A 71 14.821 -1.633 4.358 1.00 0.00 C ATOM 1038 O SER A 71 15.178 -2.604 5.024 1.00 0.00 O ATOM 1039 CB SER A 71 13.014 -0.092 5.145 1.00 0.00 C ATOM 1040 OG SER A 71 12.378 -0.235 3.886 1.00 0.00 O ATOM 0 H SER A 71 14.623 1.049 3.415 1.00 0.00 H new ATOM 0 HA SER A 71 14.966 -0.299 6.021 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.603 -0.816 5.848 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.807 0.898 5.550 1.00 0.00 H new ATOM 0 HG SER A 71 11.412 -0.104 3.990 1.00 0.00 H new ATOM 1046 N GLY A 72 14.668 -1.678 3.038 1.00 0.00 N ATOM 1047 CA GLY A 72 14.922 -2.904 2.304 1.00 0.00 C ATOM 1048 C GLY A 72 16.393 -3.268 2.274 1.00 0.00 C ATOM 1049 O GLY A 72 17.245 -2.467 1.889 1.00 0.00 O ATOM 0 H GLY A 72 14.373 -0.888 2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.358 -3.719 2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.557 -2.795 1.283 1.00 0.00 H new ATOM 1053 N PRO A 73 16.709 -4.503 2.690 1.00 0.00 N ATOM 1054 CA PRO A 73 18.088 -4.999 2.720 1.00 0.00 C ATOM 1055 C PRO A 73 18.656 -5.219 1.322 1.00 0.00 C ATOM 1056 O PRO A 73 19.772 -4.795 1.021 1.00 0.00 O ATOM 1057 CB PRO A 73 17.970 -6.332 3.465 1.00 0.00 C ATOM 1058 CG PRO A 73 16.564 -6.769 3.236 1.00 0.00 C ATOM 1059 CD PRO A 73 15.745 -5.511 3.163 1.00 0.00 C ATOM 0 HA PRO A 73 18.766 -4.289 3.193 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.680 -7.065 3.081 1.00 0.00 H new ATOM 0 HB3 PRO A 73 18.179 -6.212 4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 73 16.479 -7.343 2.314 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.219 -7.413 4.045 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.905 -5.617 2.476 1.00 0.00 H new ATOM 0 HD3 PRO A 73 15.330 -5.245 4.135 1.00 0.00 H new ATOM 1067 N SER A 74 17.881 -5.884 0.471 1.00 0.00 N ATOM 1068 CA SER A 74 18.308 -6.163 -0.895 1.00 0.00 C ATOM 1069 C SER A 74 18.141 -4.931 -1.779 1.00 0.00 C ATOM 1070 O SER A 74 17.268 -4.096 -1.540 1.00 0.00 O ATOM 1071 CB SER A 74 17.508 -7.332 -1.473 1.00 0.00 C ATOM 1072 OG SER A 74 17.808 -7.526 -2.845 1.00 0.00 O ATOM 0 H SER A 74 16.954 -6.240 0.704 1.00 0.00 H new ATOM 0 HA SER A 74 19.364 -6.431 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.733 -8.242 -0.916 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.441 -7.141 -1.354 1.00 0.00 H new ATOM 0 HG SER A 74 17.286 -8.280 -3.191 1.00 0.00 H new ATOM 1078 N SER A 75 18.984 -4.824 -2.801 1.00 0.00 N ATOM 1079 CA SER A 75 18.933 -3.693 -3.719 1.00 0.00 C ATOM 1080 C SER A 75 18.750 -4.168 -5.157 1.00 0.00 C ATOM 1081 O SER A 75 19.722 -4.359 -5.888 1.00 0.00 O ATOM 1082 CB SER A 75 20.210 -2.858 -3.604 1.00 0.00 C ATOM 1083 OG SER A 75 20.173 -2.025 -2.458 1.00 0.00 O ATOM 0 H SER A 75 19.711 -5.507 -3.014 1.00 0.00 H new ATOM 0 HA SER A 75 18.077 -3.075 -3.448 1.00 0.00 H new ATOM 0 HB2 SER A 75 21.076 -3.518 -3.550 1.00 0.00 H new ATOM 0 HB3 SER A 75 20.330 -2.246 -4.498 1.00 0.00 H new ATOM 0 HG SER A 75 21.001 -1.503 -2.406 1.00 0.00 H new ATOM 1089 N GLY A 76 17.496 -4.357 -5.557 1.00 0.00 N ATOM 1090 CA GLY A 76 17.207 -4.808 -6.905 1.00 0.00 C ATOM 1091 C GLY A 76 15.914 -5.595 -6.989 1.00 0.00 C ATOM 1092 O GLY A 76 14.893 -5.028 -7.375 1.00 0.00 O ATOM 0 H GLY A 76 16.675 -4.206 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 76 17.147 -3.945 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 76 18.030 -5.428 -7.262 1.00 0.00 H new TER 1096 GLY A 76 HETATM 1097 ZN ZN A 201 -0.713 6.812 1.081 1.00 0.00 ZN