USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 602 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0357 (180deg=0) USER MOD Single : A 6 SER OG : rot -12:sc= 0.842 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.16 K(o=-2.2,f=-1.5) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -10:sc= 0.412! USER MOD Single : A 20 SER OG : rot 180:sc= 0.00261 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= -0.0722 (180deg=-0.601) USER MOD Single : A 30 GLN : amide:sc= -10! C(o=-10!,f=-9.4!) USER MOD Single : A 33 GLN : amide:sc=-0.000612 X(o=-0.00061,f=0) USER MOD Single : A 34 ASN : amide:sc= -1 K(o=-1,f=-0.5) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= -0.172 (180deg=-1.17) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.874 K(o=-0.87,f=-8!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 150:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.9) USER MOD Single : A 70 THR OG1 : rot -31:sc= 0.218 USER MOD Single : A 71 SER OG : rot 41:sc= 0.23 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.917 -4.781 10.414 1.00 0.00 N ATOM 2 CA MET A 1 8.718 -3.902 9.226 1.00 0.00 C ATOM 3 C MET A 1 7.224 -3.783 8.924 1.00 0.00 C ATOM 4 O MET A 1 6.462 -4.704 9.144 1.00 0.00 O ATOM 5 CB MET A 1 9.435 -4.506 8.017 1.00 0.00 C ATOM 6 CG MET A 1 9.533 -3.459 6.908 1.00 0.00 C ATOM 7 SD MET A 1 10.766 -2.214 7.361 1.00 0.00 S ATOM 8 CE MET A 1 10.814 -1.351 5.771 1.00 0.00 C ATOM 0 H1 MET A 1 9.732 -5.406 10.251 1.00 0.00 H new ATOM 0 H2 MET A 1 9.093 -4.194 11.254 1.00 0.00 H new ATOM 0 H3 MET A 1 8.065 -5.357 10.566 1.00 0.00 H new ATOM 0 HA MET A 1 9.127 -2.913 9.434 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.431 -4.843 8.303 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.893 -5.381 7.659 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.810 -3.935 5.967 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.563 -2.986 6.753 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.526 -0.527 5.825 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.122 -2.045 4.989 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.823 -0.960 5.539 1.00 0.00 H new ATOM 20 N GLU A 2 6.798 -2.655 8.420 1.00 0.00 N ATOM 21 CA GLU A 2 5.350 -2.467 8.099 1.00 0.00 C ATOM 22 C GLU A 2 5.227 -1.577 6.859 1.00 0.00 C ATOM 23 O GLU A 2 4.982 -0.391 6.956 1.00 0.00 O ATOM 24 CB GLU A 2 4.644 -1.788 9.281 1.00 0.00 C ATOM 25 CG GLU A 2 4.421 -2.796 10.414 1.00 0.00 C ATOM 26 CD GLU A 2 3.389 -3.839 9.979 1.00 0.00 C ATOM 27 OE1 GLU A 2 2.209 -3.585 10.160 1.00 0.00 O ATOM 28 OE2 GLU A 2 3.797 -4.872 9.474 1.00 0.00 O ATOM 0 H GLU A 2 7.392 -1.852 8.216 1.00 0.00 H new ATOM 0 HA GLU A 2 4.888 -3.436 7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.244 -0.952 9.641 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.688 -1.378 8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.361 -3.285 10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.076 -2.280 11.310 1.00 0.00 H new ATOM 35 N LEU A 3 5.399 -2.141 5.691 1.00 0.00 N ATOM 36 CA LEU A 3 5.298 -1.332 4.438 1.00 0.00 C ATOM 37 C LEU A 3 3.863 -1.386 3.909 1.00 0.00 C ATOM 38 O LEU A 3 3.567 -2.103 2.974 1.00 0.00 O ATOM 39 CB LEU A 3 6.249 -1.912 3.382 1.00 0.00 C ATOM 40 CG LEU A 3 6.290 -1.002 2.135 1.00 0.00 C ATOM 41 CD1 LEU A 3 7.222 0.193 2.371 1.00 0.00 C ATOM 42 CD2 LEU A 3 6.802 -1.805 0.934 1.00 0.00 C ATOM 0 H LEU A 3 5.606 -3.130 5.550 1.00 0.00 H new ATOM 0 HA LEU A 3 5.570 -0.298 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.250 -2.011 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.922 -2.912 3.099 1.00 0.00 H new ATOM 0 HG LEU A 3 5.283 -0.634 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.238 0.823 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.862 0.773 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.230 -0.167 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.831 -1.164 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.805 -2.177 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.135 -2.647 0.748 1.00 0.00 H new ATOM 54 N TRP A 4 2.970 -0.626 4.483 1.00 0.00 N ATOM 55 CA TRP A 4 1.566 -0.635 3.987 1.00 0.00 C ATOM 56 C TRP A 4 1.482 0.246 2.741 1.00 0.00 C ATOM 57 O TRP A 4 2.425 0.929 2.394 1.00 0.00 O ATOM 58 CB TRP A 4 0.628 -0.103 5.073 1.00 0.00 C ATOM 59 CG TRP A 4 0.676 -1.025 6.248 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.719 -1.129 7.103 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.329 -1.976 6.708 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.420 -2.079 8.063 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.172 -2.631 7.867 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.618 -2.333 6.243 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.576 -3.607 8.539 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.374 -3.315 6.919 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.853 -3.951 8.063 1.00 0.00 C ATOM 0 H TRP A 4 3.151 -0.003 5.270 1.00 0.00 H new ATOM 0 HA TRP A 4 1.265 -1.653 3.738 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.927 0.902 5.370 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.390 -0.033 4.690 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.637 -0.562 7.045 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.047 -2.340 8.824 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -2.025 -1.851 5.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.174 -4.092 9.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.357 -3.580 6.557 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.435 -4.703 8.575 1.00 0.00 H new ATOM 78 N VAL A 5 0.372 0.226 2.052 1.00 0.00 N ATOM 79 CA VAL A 5 0.235 1.052 0.815 1.00 0.00 C ATOM 80 C VAL A 5 -1.175 1.643 0.740 1.00 0.00 C ATOM 81 O VAL A 5 -2.117 1.092 1.275 1.00 0.00 O ATOM 82 CB VAL A 5 0.491 0.160 -0.402 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.689 1.025 -1.644 1.00 0.00 C ATOM 84 CG2 VAL A 5 1.748 -0.678 -0.162 1.00 0.00 C ATOM 0 H VAL A 5 -0.449 -0.329 2.293 1.00 0.00 H new ATOM 0 HA VAL A 5 0.956 1.869 0.832 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.365 -0.497 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.871 0.385 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.206 1.623 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.543 1.685 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.932 -1.314 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.602 -0.018 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.607 -1.300 0.722 1.00 0.00 H new ATOM 94 N SER A 6 -1.324 2.766 0.081 1.00 0.00 N ATOM 95 CA SER A 6 -2.668 3.416 -0.037 1.00 0.00 C ATOM 96 C SER A 6 -3.232 3.164 -1.454 1.00 0.00 C ATOM 97 O SER A 6 -2.466 2.982 -2.379 1.00 0.00 O ATOM 98 CB SER A 6 -2.497 4.923 0.188 1.00 0.00 C ATOM 99 OG SER A 6 -2.416 5.181 1.584 1.00 0.00 O ATOM 0 H SER A 6 -0.566 3.265 -0.384 1.00 0.00 H new ATOM 0 HA SER A 6 -3.356 3.004 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.596 5.278 -0.312 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.337 5.465 -0.246 1.00 0.00 H new ATOM 0 HG SER A 6 -2.677 4.377 2.081 1.00 0.00 H new ATOM 105 N PRO A 7 -4.547 3.164 -1.603 1.00 0.00 N ATOM 106 CA PRO A 7 -5.170 2.939 -2.926 1.00 0.00 C ATOM 107 C PRO A 7 -4.607 3.923 -3.964 1.00 0.00 C ATOM 108 O PRO A 7 -4.271 3.547 -5.070 1.00 0.00 O ATOM 109 CB PRO A 7 -6.686 3.168 -2.699 1.00 0.00 C ATOM 110 CG PRO A 7 -6.890 3.476 -1.187 1.00 0.00 C ATOM 111 CD PRO A 7 -5.510 3.377 -0.499 1.00 0.00 C ATOM 0 HA PRO A 7 -4.967 1.941 -3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.045 3.996 -3.311 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.255 2.286 -2.991 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.314 4.471 -1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.591 2.769 -0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.279 4.286 0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.482 2.553 0.214 1.00 0.00 H new ATOM 119 N LYS A 8 -4.517 5.179 -3.621 1.00 0.00 N ATOM 120 CA LYS A 8 -3.992 6.181 -4.593 1.00 0.00 C ATOM 121 C LYS A 8 -2.569 5.806 -5.017 1.00 0.00 C ATOM 122 O LYS A 8 -2.107 6.190 -6.073 1.00 0.00 O ATOM 123 CB LYS A 8 -3.988 7.567 -3.942 1.00 0.00 C ATOM 124 CG LYS A 8 -2.952 7.605 -2.815 1.00 0.00 C ATOM 125 CD LYS A 8 -3.184 8.846 -1.951 1.00 0.00 C ATOM 126 CE LYS A 8 -2.069 8.958 -0.910 1.00 0.00 C ATOM 127 NZ LYS A 8 -2.156 10.281 -0.230 1.00 0.00 N ATOM 0 H LYS A 8 -4.784 5.555 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.632 6.194 -5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.757 8.329 -4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.978 7.797 -3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.029 6.705 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.945 7.622 -3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.204 9.739 -2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.153 8.782 -1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.158 8.155 -0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.097 8.847 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.398 10.358 0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.051 11.040 -0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.079 10.370 0.240 1.00 0.00 H new ATOM 141 N GLU A 9 -1.867 5.061 -4.207 1.00 0.00 N ATOM 142 CA GLU A 9 -0.473 4.667 -4.572 1.00 0.00 C ATOM 143 C GLU A 9 -0.509 3.416 -5.458 1.00 0.00 C ATOM 144 O GLU A 9 0.387 3.176 -6.243 1.00 0.00 O ATOM 145 CB GLU A 9 0.320 4.366 -3.297 1.00 0.00 C ATOM 146 CG GLU A 9 0.546 5.658 -2.504 1.00 0.00 C ATOM 147 CD GLU A 9 1.471 6.595 -3.283 1.00 0.00 C ATOM 148 OE1 GLU A 9 2.082 6.141 -4.234 1.00 0.00 O ATOM 149 OE2 GLU A 9 1.553 7.756 -2.912 1.00 0.00 O ATOM 0 H GLU A 9 -2.197 4.708 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 9 0.005 5.482 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.220 3.643 -2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.278 3.914 -3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.408 6.150 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.983 5.427 -1.533 1.00 0.00 H new ATOM 156 N LEU A 10 -1.537 2.619 -5.338 1.00 0.00 N ATOM 157 CA LEU A 10 -1.630 1.384 -6.173 1.00 0.00 C ATOM 158 C LEU A 10 -2.202 1.739 -7.548 1.00 0.00 C ATOM 159 O LEU A 10 -2.032 1.013 -8.507 1.00 0.00 O ATOM 160 CB LEU A 10 -2.556 0.374 -5.483 1.00 0.00 C ATOM 161 CG LEU A 10 -1.996 -0.003 -4.104 1.00 0.00 C ATOM 162 CD1 LEU A 10 -3.062 -0.773 -3.319 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.745 -0.885 -4.255 1.00 0.00 C ATOM 0 H LEU A 10 -2.317 2.769 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.637 0.950 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.554 0.799 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.656 -0.519 -6.100 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.724 0.909 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.668 -1.043 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.946 -0.147 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.332 -1.678 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.361 -1.143 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.005 -1.797 -4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.019 -0.341 -4.811 1.00 0.00 H new ATOM 175 N ALA A 11 -2.886 2.846 -7.641 1.00 0.00 N ATOM 176 CA ALA A 11 -3.482 3.271 -8.944 1.00 0.00 C ATOM 177 C ALA A 11 -2.385 3.559 -9.986 1.00 0.00 C ATOM 178 O ALA A 11 -2.563 4.394 -10.851 1.00 0.00 O ATOM 179 CB ALA A 11 -4.319 4.535 -8.716 1.00 0.00 C ATOM 0 H ALA A 11 -3.060 3.482 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.109 2.465 -9.325 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.759 4.855 -9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.112 4.322 -7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.681 5.328 -8.326 1.00 0.00 H new ATOM 185 N ASN A 12 -1.252 2.902 -9.920 1.00 0.00 N ATOM 186 CA ASN A 12 -0.173 3.185 -10.922 1.00 0.00 C ATOM 187 C ASN A 12 0.650 1.924 -11.215 1.00 0.00 C ATOM 188 O ASN A 12 1.459 1.911 -12.121 1.00 0.00 O ATOM 189 CB ASN A 12 0.752 4.271 -10.370 1.00 0.00 C ATOM 190 CG ASN A 12 -0.068 5.518 -10.032 1.00 0.00 C ATOM 191 OD1 ASN A 12 -0.184 6.419 -10.839 1.00 0.00 O ATOM 192 ND2 ASN A 12 -0.645 5.607 -8.866 1.00 0.00 N ATOM 0 H ASN A 12 -1.028 2.190 -9.225 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.639 3.518 -11.849 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.265 3.908 -9.479 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.520 4.516 -11.103 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.194 6.434 -8.631 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.547 4.850 -8.189 1.00 0.00 H new ATOM 199 N LEU A 13 0.458 0.860 -10.480 1.00 0.00 N ATOM 200 CA LEU A 13 1.246 -0.376 -10.765 1.00 0.00 C ATOM 201 C LEU A 13 0.604 -1.090 -11.973 1.00 0.00 C ATOM 202 O LEU A 13 -0.594 -1.007 -12.142 1.00 0.00 O ATOM 203 CB LEU A 13 1.219 -1.292 -9.531 1.00 0.00 C ATOM 204 CG LEU A 13 1.545 -0.479 -8.267 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.784 -1.431 -7.090 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.807 0.365 -8.494 1.00 0.00 C ATOM 0 H LEU A 13 -0.201 0.792 -9.705 1.00 0.00 H new ATOM 0 HA LEU A 13 2.283 -0.127 -10.992 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.237 -1.755 -9.433 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.942 -2.099 -9.651 1.00 0.00 H new ATOM 0 HG LEU A 13 0.705 0.179 -8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.015 -0.853 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.888 -2.026 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.620 -2.092 -7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.029 0.937 -7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.647 -0.291 -8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.642 1.049 -9.327 1.00 0.00 H new ATOM 218 N PRO A 14 1.394 -1.759 -12.799 1.00 0.00 N ATOM 219 CA PRO A 14 0.847 -2.451 -13.986 1.00 0.00 C ATOM 220 C PRO A 14 -0.213 -3.488 -13.581 1.00 0.00 C ATOM 221 O PRO A 14 -1.381 -3.345 -13.885 1.00 0.00 O ATOM 222 CB PRO A 14 2.070 -3.132 -14.652 1.00 0.00 C ATOM 223 CG PRO A 14 3.302 -2.872 -13.738 1.00 0.00 C ATOM 224 CD PRO A 14 2.861 -1.888 -12.633 1.00 0.00 C ATOM 0 HA PRO A 14 0.346 -1.761 -14.665 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.897 -4.202 -14.768 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.239 -2.726 -15.649 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.659 -3.805 -13.301 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.127 -2.455 -14.316 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.115 -2.267 -11.643 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.357 -0.924 -12.742 1.00 0.00 H new ATOM 232 N GLY A 15 0.194 -4.534 -12.917 1.00 0.00 N ATOM 233 CA GLY A 15 -0.772 -5.598 -12.504 1.00 0.00 C ATOM 234 C GLY A 15 -2.060 -4.972 -11.966 1.00 0.00 C ATOM 235 O GLY A 15 -3.140 -5.499 -12.144 1.00 0.00 O ATOM 0 H GLY A 15 1.161 -4.701 -12.639 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.000 -6.240 -13.355 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.321 -6.230 -11.739 1.00 0.00 H new ATOM 239 N LEU A 16 -1.955 -3.853 -11.303 1.00 0.00 N ATOM 240 CA LEU A 16 -3.172 -3.187 -10.744 1.00 0.00 C ATOM 241 C LEU A 16 -3.663 -2.116 -11.740 1.00 0.00 C ATOM 242 O LEU A 16 -2.859 -1.551 -12.452 1.00 0.00 O ATOM 243 CB LEU A 16 -2.788 -2.524 -9.417 1.00 0.00 C ATOM 244 CG LEU A 16 -1.971 -3.506 -8.573 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.719 -2.892 -7.198 1.00 0.00 C ATOM 246 CD2 LEU A 16 -2.741 -4.823 -8.415 1.00 0.00 C ATOM 0 H LEU A 16 -1.076 -3.367 -11.122 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.968 -3.914 -10.580 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.209 -1.620 -9.604 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.685 -2.222 -8.876 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.020 -3.708 -9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.137 -3.586 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.167 -1.959 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.672 -2.692 -6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.154 -5.518 -7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.694 -4.631 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.923 -5.258 -9.398 1.00 0.00 H new ATOM 258 N PRO A 17 -4.959 -1.847 -11.777 1.00 0.00 N ATOM 259 CA PRO A 17 -5.495 -0.829 -12.701 1.00 0.00 C ATOM 260 C PRO A 17 -4.730 0.494 -12.534 1.00 0.00 C ATOM 261 O PRO A 17 -3.827 0.605 -11.728 1.00 0.00 O ATOM 262 CB PRO A 17 -6.987 -0.682 -12.315 1.00 0.00 C ATOM 263 CG PRO A 17 -7.283 -1.724 -11.197 1.00 0.00 C ATOM 264 CD PRO A 17 -5.978 -2.508 -10.933 1.00 0.00 C ATOM 0 HA PRO A 17 -5.386 -1.112 -13.748 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.195 0.328 -11.963 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.626 -0.856 -13.181 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.621 -1.225 -10.288 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.081 -2.400 -11.505 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.702 -2.472 -9.879 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.089 -3.560 -11.198 1.00 0.00 H new ATOM 272 N LYS A 18 -5.089 1.494 -13.297 1.00 0.00 N ATOM 273 CA LYS A 18 -4.394 2.814 -13.201 1.00 0.00 C ATOM 274 C LYS A 18 -5.197 3.742 -12.291 1.00 0.00 C ATOM 275 O LYS A 18 -4.695 4.738 -11.810 1.00 0.00 O ATOM 276 CB LYS A 18 -4.298 3.442 -14.595 1.00 0.00 C ATOM 277 CG LYS A 18 -3.668 2.448 -15.580 1.00 0.00 C ATOM 278 CD LYS A 18 -2.172 2.284 -15.282 1.00 0.00 C ATOM 279 CE LYS A 18 -1.485 1.610 -16.471 1.00 0.00 C ATOM 280 NZ LYS A 18 -0.015 1.549 -16.227 1.00 0.00 N ATOM 0 H LYS A 18 -5.839 1.453 -13.987 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.394 2.669 -12.793 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.291 3.730 -14.942 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.699 4.352 -14.552 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.169 1.483 -15.505 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.806 2.800 -16.602 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.720 3.257 -15.091 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.033 1.686 -14.381 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.883 0.605 -16.613 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.690 2.166 -17.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.452 1.091 -17.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.358 2.513 -16.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.171 1.001 -15.363 1.00 0.00 H new ATOM 294 N THR A 19 -6.445 3.423 -12.061 1.00 0.00 N ATOM 295 CA THR A 19 -7.309 4.278 -11.184 1.00 0.00 C ATOM 296 C THR A 19 -7.589 3.540 -9.874 1.00 0.00 C ATOM 297 O THR A 19 -7.973 2.388 -9.869 1.00 0.00 O ATOM 298 CB THR A 19 -8.631 4.556 -11.900 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.490 3.432 -11.758 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.364 4.812 -13.384 1.00 0.00 C ATOM 0 H THR A 19 -6.909 2.600 -12.446 1.00 0.00 H new ATOM 0 HA THR A 19 -6.800 5.218 -10.971 1.00 0.00 H new ATOM 0 HB THR A 19 -9.105 5.434 -11.461 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.989 2.684 -11.371 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.307 5.010 -13.894 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.705 5.673 -13.492 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.890 3.935 -13.825 1.00 0.00 H new ATOM 308 N SER A 20 -7.400 4.195 -8.762 1.00 0.00 N ATOM 309 CA SER A 20 -7.656 3.530 -7.454 1.00 0.00 C ATOM 310 C SER A 20 -9.068 2.941 -7.450 1.00 0.00 C ATOM 311 O SER A 20 -9.338 1.956 -6.792 1.00 0.00 O ATOM 312 CB SER A 20 -7.528 4.558 -6.327 1.00 0.00 C ATOM 313 OG SER A 20 -8.185 5.758 -6.711 1.00 0.00 O ATOM 0 H SER A 20 -7.080 5.162 -8.703 1.00 0.00 H new ATOM 0 HA SER A 20 -6.929 2.732 -7.302 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.968 4.166 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.477 4.756 -6.117 1.00 0.00 H new ATOM 0 HG SER A 20 -8.107 6.418 -5.991 1.00 0.00 H new ATOM 319 N ALA A 21 -9.972 3.534 -8.178 1.00 0.00 N ATOM 320 CA ALA A 21 -11.366 3.006 -8.210 1.00 0.00 C ATOM 321 C ALA A 21 -11.341 1.527 -8.592 1.00 0.00 C ATOM 322 O ALA A 21 -12.159 0.747 -8.147 1.00 0.00 O ATOM 323 CB ALA A 21 -12.185 3.787 -9.240 1.00 0.00 C ATOM 0 H ALA A 21 -9.807 4.361 -8.752 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.820 3.119 -7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.204 3.401 -9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.203 4.842 -8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.732 3.675 -10.225 1.00 0.00 H new ATOM 329 N GLY A 22 -10.408 1.133 -9.412 1.00 0.00 N ATOM 330 CA GLY A 22 -10.332 -0.298 -9.821 1.00 0.00 C ATOM 331 C GLY A 22 -9.672 -1.111 -8.706 1.00 0.00 C ATOM 332 O GLY A 22 -10.031 -2.243 -8.456 1.00 0.00 O ATOM 0 H GLY A 22 -9.695 1.739 -9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.331 -0.683 -10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.760 -0.394 -10.744 1.00 0.00 H new ATOM 336 N VAL A 23 -8.710 -0.543 -8.032 1.00 0.00 N ATOM 337 CA VAL A 23 -8.031 -1.287 -6.934 1.00 0.00 C ATOM 338 C VAL A 23 -9.025 -1.537 -5.799 1.00 0.00 C ATOM 339 O VAL A 23 -9.287 -2.665 -5.430 1.00 0.00 O ATOM 340 CB VAL A 23 -6.856 -0.464 -6.406 1.00 0.00 C ATOM 341 CG1 VAL A 23 -6.154 -1.240 -5.290 1.00 0.00 C ATOM 342 CG2 VAL A 23 -5.866 -0.202 -7.543 1.00 0.00 C ATOM 0 H VAL A 23 -8.365 0.403 -8.194 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.664 -2.240 -7.316 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.222 0.486 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.316 -0.655 -4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.858 -1.430 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.787 -2.189 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.028 0.385 -7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.499 -1.152 -7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.365 0.348 -8.341 1.00 0.00 H new ATOM 352 N ILE A 24 -9.583 -0.496 -5.244 1.00 0.00 N ATOM 353 CA ILE A 24 -10.561 -0.680 -4.134 1.00 0.00 C ATOM 354 C ILE A 24 -11.601 -1.723 -4.552 1.00 0.00 C ATOM 355 O ILE A 24 -11.923 -2.626 -3.805 1.00 0.00 O ATOM 356 CB ILE A 24 -11.245 0.660 -3.834 1.00 0.00 C ATOM 357 CG1 ILE A 24 -10.169 1.717 -3.560 1.00 0.00 C ATOM 358 CG2 ILE A 24 -12.145 0.521 -2.600 1.00 0.00 C ATOM 359 CD1 ILE A 24 -10.822 3.027 -3.110 1.00 0.00 C ATOM 0 H ILE A 24 -9.405 0.472 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.049 -1.025 -3.236 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.853 0.958 -4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.484 1.360 -2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.577 1.887 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.628 1.476 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.906 -0.237 -2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.542 0.225 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.049 3.771 -2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.488 3.389 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.394 2.854 -2.198 1.00 0.00 H new ATOM 371 N TYR A 25 -12.120 -1.617 -5.744 1.00 0.00 N ATOM 372 CA TYR A 25 -13.126 -2.612 -6.208 1.00 0.00 C ATOM 373 C TYR A 25 -12.479 -3.999 -6.232 1.00 0.00 C ATOM 374 O TYR A 25 -12.950 -4.930 -5.609 1.00 0.00 O ATOM 375 CB TYR A 25 -13.605 -2.237 -7.615 1.00 0.00 C ATOM 376 CG TYR A 25 -14.462 -3.351 -8.175 1.00 0.00 C ATOM 377 CD1 TYR A 25 -15.756 -3.568 -7.664 1.00 0.00 C ATOM 378 CD2 TYR A 25 -13.965 -4.174 -9.207 1.00 0.00 C ATOM 379 CE1 TYR A 25 -16.553 -4.607 -8.184 1.00 0.00 C ATOM 380 CE2 TYR A 25 -14.763 -5.212 -9.726 1.00 0.00 C ATOM 381 CZ TYR A 25 -16.056 -5.428 -9.215 1.00 0.00 C ATOM 382 OH TYR A 25 -16.838 -6.445 -9.723 1.00 0.00 O ATOM 0 H TYR A 25 -11.891 -0.885 -6.416 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.981 -2.619 -5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.175 -1.309 -7.580 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.749 -2.061 -8.266 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.137 -2.938 -6.874 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.972 -4.008 -9.599 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.545 -4.774 -7.792 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.382 -5.842 -10.516 1.00 0.00 H new ATOM 0 HH TYR A 25 -16.346 -6.915 -10.429 1.00 0.00 H new ATOM 392 N VAL A 26 -11.401 -4.141 -6.951 1.00 0.00 N ATOM 393 CA VAL A 26 -10.716 -5.461 -7.026 1.00 0.00 C ATOM 394 C VAL A 26 -10.324 -5.913 -5.616 1.00 0.00 C ATOM 395 O VAL A 26 -10.004 -7.063 -5.391 1.00 0.00 O ATOM 396 CB VAL A 26 -9.461 -5.333 -7.896 1.00 0.00 C ATOM 397 CG1 VAL A 26 -8.650 -6.629 -7.834 1.00 0.00 C ATOM 398 CG2 VAL A 26 -9.874 -5.064 -9.347 1.00 0.00 C ATOM 0 H VAL A 26 -10.963 -3.396 -7.492 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.388 -6.198 -7.466 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.851 -4.509 -7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.759 -6.531 -8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.354 -6.824 -6.803 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.258 -7.456 -8.200 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.983 -4.973 -9.968 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.486 -5.890 -9.710 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.447 -4.138 -9.396 1.00 0.00 H new ATOM 408 N ALA A 27 -10.347 -5.020 -4.663 1.00 0.00 N ATOM 409 CA ALA A 27 -9.975 -5.411 -3.274 1.00 0.00 C ATOM 410 C ALA A 27 -10.878 -6.556 -2.812 1.00 0.00 C ATOM 411 O ALA A 27 -10.456 -7.441 -2.097 1.00 0.00 O ATOM 412 CB ALA A 27 -10.141 -4.210 -2.339 1.00 0.00 C ATOM 0 H ALA A 27 -10.606 -4.041 -4.786 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.935 -5.738 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.868 -4.499 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.494 -3.398 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.179 -3.877 -2.355 1.00 0.00 H new ATOM 418 N LYS A 28 -12.119 -6.548 -3.215 1.00 0.00 N ATOM 419 CA LYS A 28 -13.042 -7.641 -2.799 1.00 0.00 C ATOM 420 C LYS A 28 -12.647 -8.933 -3.520 1.00 0.00 C ATOM 421 O LYS A 28 -12.852 -10.022 -3.025 1.00 0.00 O ATOM 422 CB LYS A 28 -14.483 -7.262 -3.165 1.00 0.00 C ATOM 423 CG LYS A 28 -15.035 -6.269 -2.136 1.00 0.00 C ATOM 424 CD LYS A 28 -14.071 -5.090 -1.986 1.00 0.00 C ATOM 425 CE LYS A 28 -14.777 -3.935 -1.273 1.00 0.00 C ATOM 426 NZ LYS A 28 -13.770 -2.918 -0.857 1.00 0.00 N ATOM 0 H LYS A 28 -12.533 -5.833 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.975 -7.790 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.511 -6.821 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.108 -8.155 -3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.015 -5.911 -2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.170 -6.765 -1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.191 -5.397 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.722 -4.766 -2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.515 -3.482 -1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.316 -4.307 -0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.250 -2.133 -0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.082 -3.355 -0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.275 -2.556 -1.697 1.00 0.00 H new ATOM 440 N LYS A 29 -12.077 -8.815 -4.689 1.00 0.00 N ATOM 441 CA LYS A 29 -11.663 -10.031 -5.444 1.00 0.00 C ATOM 442 C LYS A 29 -10.569 -10.764 -4.656 1.00 0.00 C ATOM 443 O LYS A 29 -10.130 -11.834 -5.026 1.00 0.00 O ATOM 444 CB LYS A 29 -11.126 -9.611 -6.820 1.00 0.00 C ATOM 445 CG LYS A 29 -11.132 -10.811 -7.788 1.00 0.00 C ATOM 446 CD LYS A 29 -12.509 -10.956 -8.451 1.00 0.00 C ATOM 447 CE LYS A 29 -12.443 -12.047 -9.521 1.00 0.00 C ATOM 448 NZ LYS A 29 -11.555 -11.601 -10.630 1.00 0.00 N ATOM 0 H LYS A 29 -11.880 -7.928 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.516 -10.696 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.738 -8.805 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.113 -9.222 -6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.366 -10.674 -8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.884 -11.724 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.260 -11.209 -7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.811 -10.009 -8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.065 -12.973 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.442 -12.258 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.786 -12.131 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.695 -10.584 -10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.563 -11.776 -10.372 1.00 0.00 H new ATOM 462 N GLN A 30 -10.132 -10.190 -3.565 1.00 0.00 N ATOM 463 CA GLN A 30 -9.073 -10.837 -2.735 1.00 0.00 C ATOM 464 C GLN A 30 -9.289 -10.443 -1.272 1.00 0.00 C ATOM 465 O GLN A 30 -9.528 -11.278 -0.422 1.00 0.00 O ATOM 466 CB GLN A 30 -7.686 -10.354 -3.187 1.00 0.00 C ATOM 467 CG GLN A 30 -7.290 -11.011 -4.521 1.00 0.00 C ATOM 468 CD GLN A 30 -7.936 -10.259 -5.685 1.00 0.00 C ATOM 469 OE1 GLN A 30 -8.416 -10.863 -6.624 1.00 0.00 O ATOM 470 NE2 GLN A 30 -7.965 -8.955 -5.663 1.00 0.00 N ATOM 0 H GLN A 30 -10.466 -9.294 -3.211 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.129 -11.920 -2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.691 -9.270 -3.297 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.945 -10.593 -2.424 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.206 -11.006 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.606 -12.054 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.562 -8.449 -4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.391 -8.441 -6.434 1.00 0.00 H new ATOM 479 N GLY A 31 -9.221 -9.172 -0.975 1.00 0.00 N ATOM 480 CA GLY A 31 -9.436 -8.709 0.430 1.00 0.00 C ATOM 481 C GLY A 31 -8.096 -8.598 1.157 1.00 0.00 C ATOM 482 O GLY A 31 -7.934 -9.096 2.252 1.00 0.00 O ATOM 0 H GLY A 31 -9.025 -8.430 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.940 -7.742 0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.087 -9.407 0.956 1.00 0.00 H new ATOM 486 N TRP A 32 -7.132 -7.945 0.564 1.00 0.00 N ATOM 487 CA TRP A 32 -5.814 -7.808 1.241 1.00 0.00 C ATOM 488 C TRP A 32 -6.023 -7.256 2.652 1.00 0.00 C ATOM 489 O TRP A 32 -6.870 -6.414 2.880 1.00 0.00 O ATOM 490 CB TRP A 32 -4.919 -6.843 0.460 1.00 0.00 C ATOM 491 CG TRP A 32 -4.889 -7.221 -0.985 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.512 -8.427 -1.466 1.00 0.00 C ATOM 493 CD2 TRP A 32 -5.195 -6.394 -2.144 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.593 -8.406 -2.848 1.00 0.00 N ATOM 495 CE2 TRP A 32 -5.004 -7.174 -3.315 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.626 -5.056 -2.292 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.229 -6.642 -4.594 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.852 -4.516 -3.576 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.654 -5.308 -4.725 1.00 0.00 C ATOM 0 H TRP A 32 -7.201 -7.504 -0.353 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.338 -8.787 1.288 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.289 -5.824 0.569 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.909 -6.861 0.869 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.198 -9.270 -0.869 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.376 -9.203 -3.447 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.783 -4.443 -1.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.077 -7.253 -5.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.178 -3.492 -3.679 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.829 -4.890 -5.706 1.00 0.00 H new ATOM 510 N GLN A 33 -5.254 -7.715 3.602 1.00 0.00 N ATOM 511 CA GLN A 33 -5.409 -7.204 4.994 1.00 0.00 C ATOM 512 C GLN A 33 -5.234 -5.685 4.988 1.00 0.00 C ATOM 513 O GLN A 33 -4.130 -5.179 5.015 1.00 0.00 O ATOM 514 CB GLN A 33 -4.347 -7.840 5.894 1.00 0.00 C ATOM 515 CG GLN A 33 -4.434 -7.234 7.295 1.00 0.00 C ATOM 516 CD GLN A 33 -3.581 -8.058 8.261 1.00 0.00 C ATOM 517 OE1 GLN A 33 -4.051 -8.478 9.300 1.00 0.00 O ATOM 518 NE2 GLN A 33 -2.336 -8.309 7.961 1.00 0.00 N ATOM 0 H GLN A 33 -4.527 -8.419 3.475 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.399 -7.459 5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.496 -8.919 5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.354 -7.674 5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.088 -6.201 7.278 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.471 -7.217 7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.941 -7.957 7.089 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.758 -8.857 8.598 1.00 0.00 H new ATOM 527 N ASN A 34 -6.318 -4.953 4.940 1.00 0.00 N ATOM 528 CA ASN A 34 -6.227 -3.460 4.918 1.00 0.00 C ATOM 529 C ASN A 34 -6.478 -2.900 6.323 1.00 0.00 C ATOM 530 O ASN A 34 -7.500 -3.152 6.928 1.00 0.00 O ATOM 531 CB ASN A 34 -7.288 -2.914 3.955 1.00 0.00 C ATOM 532 CG ASN A 34 -8.580 -3.718 4.111 1.00 0.00 C ATOM 533 OD1 ASN A 34 -9.314 -3.533 5.060 1.00 0.00 O ATOM 534 ND2 ASN A 34 -8.891 -4.611 3.210 1.00 0.00 N ATOM 0 H ASN A 34 -7.267 -5.326 4.915 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.232 -3.160 4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.475 -1.860 4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.929 -2.978 2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.750 -5.152 3.304 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.275 -4.767 2.412 1.00 0.00 H new ATOM 541 N ARG A 35 -5.552 -2.135 6.839 1.00 0.00 N ATOM 542 CA ARG A 35 -5.734 -1.547 8.202 1.00 0.00 C ATOM 543 C ARG A 35 -6.450 -0.194 8.074 1.00 0.00 C ATOM 544 O ARG A 35 -5.934 0.740 7.493 1.00 0.00 O ATOM 545 CB ARG A 35 -4.348 -1.352 8.865 1.00 0.00 C ATOM 546 CG ARG A 35 -4.043 -2.511 9.831 1.00 0.00 C ATOM 547 CD ARG A 35 -4.724 -2.258 11.181 1.00 0.00 C ATOM 548 NE ARG A 35 -4.780 -3.532 11.953 1.00 0.00 N ATOM 549 CZ ARG A 35 -5.046 -3.512 13.231 1.00 0.00 C ATOM 550 NH1 ARG A 35 -5.271 -2.375 13.832 1.00 0.00 N ATOM 551 NH2 ARG A 35 -5.091 -4.628 13.905 1.00 0.00 N ATOM 0 H ARG A 35 -4.676 -1.891 6.376 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.334 -2.216 8.819 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.576 -1.298 8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.327 -0.406 9.405 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.395 -3.451 9.407 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.966 -2.607 9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.174 -1.503 11.743 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.730 -1.869 11.026 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.610 -4.421 11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.239 -1.503 13.303 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.479 -2.358 14.830 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.918 -5.516 13.434 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.299 -4.613 14.903 1.00 0.00 H new ATOM 565 N THR A 36 -7.632 -0.080 8.624 1.00 0.00 N ATOM 566 CA THR A 36 -8.379 1.212 8.548 1.00 0.00 C ATOM 567 C THR A 36 -8.107 2.017 9.822 1.00 0.00 C ATOM 568 O THR A 36 -7.622 1.492 10.804 1.00 0.00 O ATOM 569 CB THR A 36 -9.881 0.927 8.431 1.00 0.00 C ATOM 570 OG1 THR A 36 -10.090 -0.108 7.480 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.614 2.193 7.980 1.00 0.00 C ATOM 0 H THR A 36 -8.113 -0.828 9.124 1.00 0.00 H new ATOM 0 HA THR A 36 -8.052 1.779 7.676 1.00 0.00 H new ATOM 0 HB THR A 36 -10.268 0.616 9.401 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.049 -0.294 7.404 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.681 1.986 7.898 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.453 2.986 8.710 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.230 2.510 7.010 1.00 0.00 H new ATOM 579 N ARG A 37 -8.412 3.290 9.818 1.00 0.00 N ATOM 580 CA ARG A 37 -8.164 4.122 11.035 1.00 0.00 C ATOM 581 C ARG A 37 -9.200 5.249 11.108 1.00 0.00 C ATOM 582 O ARG A 37 -9.735 5.548 12.158 1.00 0.00 O ATOM 583 CB ARG A 37 -6.739 4.710 10.959 1.00 0.00 C ATOM 584 CG ARG A 37 -6.159 4.895 12.369 1.00 0.00 C ATOM 585 CD ARG A 37 -7.109 5.741 13.220 1.00 0.00 C ATOM 586 NE ARG A 37 -6.365 6.303 14.381 1.00 0.00 N ATOM 587 CZ ARG A 37 -6.877 7.286 15.071 1.00 0.00 C ATOM 588 NH1 ARG A 37 -8.042 7.775 14.743 1.00 0.00 N ATOM 589 NH2 ARG A 37 -6.226 7.778 16.089 1.00 0.00 N ATOM 0 H ARG A 37 -8.821 3.788 9.027 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.253 3.507 11.931 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.096 4.048 10.379 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.762 5.668 10.440 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.005 3.923 12.838 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.184 5.378 12.309 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.532 6.547 12.620 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.943 5.132 13.569 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.455 5.920 14.637 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.552 7.389 13.948 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.443 8.543 15.282 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.316 7.395 16.346 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.627 8.546 16.628 1.00 0.00 H new ATOM 603 N ALA A 38 -9.490 5.875 10.004 1.00 0.00 N ATOM 604 CA ALA A 38 -10.491 6.980 10.016 1.00 0.00 C ATOM 605 C ALA A 38 -10.072 8.036 11.043 1.00 0.00 C ATOM 606 O ALA A 38 -10.643 8.137 12.111 1.00 0.00 O ATOM 607 CB ALA A 38 -11.865 6.418 10.395 1.00 0.00 C ATOM 0 H ALA A 38 -9.079 5.671 9.093 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.543 7.435 9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.598 7.225 10.404 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.164 5.665 9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.812 5.964 11.385 1.00 0.00 H new ATOM 613 N GLY A 39 -9.080 8.822 10.729 1.00 0.00 N ATOM 614 CA GLY A 39 -8.626 9.869 11.687 1.00 0.00 C ATOM 615 C GLY A 39 -7.591 10.769 11.011 1.00 0.00 C ATOM 616 O GLY A 39 -7.636 11.978 11.126 1.00 0.00 O ATOM 0 H GLY A 39 -8.564 8.785 9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.476 10.463 12.022 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.194 9.403 12.573 1.00 0.00 H new ATOM 620 N VAL A 40 -6.659 10.189 10.305 1.00 0.00 N ATOM 621 CA VAL A 40 -5.621 11.008 9.625 1.00 0.00 C ATOM 622 C VAL A 40 -6.284 11.916 8.586 1.00 0.00 C ATOM 623 O VAL A 40 -5.990 13.092 8.495 1.00 0.00 O ATOM 624 CB VAL A 40 -4.619 10.077 8.941 1.00 0.00 C ATOM 625 CG1 VAL A 40 -4.116 9.047 9.953 1.00 0.00 C ATOM 626 CG2 VAL A 40 -5.296 9.352 7.771 1.00 0.00 C ATOM 0 H VAL A 40 -6.573 9.182 10.171 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.101 11.627 10.356 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.781 10.663 8.563 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.401 8.381 9.470 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.630 9.560 10.783 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.958 8.465 10.329 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.577 8.690 7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.136 8.765 8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.657 10.084 7.049 1.00 0.00 H new ATOM 636 N LYS A 41 -7.177 11.378 7.802 1.00 0.00 N ATOM 637 CA LYS A 41 -7.866 12.201 6.766 1.00 0.00 C ATOM 638 C LYS A 41 -9.124 12.821 7.373 1.00 0.00 C ATOM 639 O LYS A 41 -9.176 14.003 7.649 1.00 0.00 O ATOM 640 CB LYS A 41 -8.248 11.300 5.580 1.00 0.00 C ATOM 641 CG LYS A 41 -8.762 12.143 4.384 1.00 0.00 C ATOM 642 CD LYS A 41 -10.297 12.215 4.392 1.00 0.00 C ATOM 643 CE LYS A 41 -10.778 12.948 3.138 1.00 0.00 C ATOM 644 NZ LYS A 41 -10.193 12.303 1.928 1.00 0.00 N ATOM 0 H LYS A 41 -7.461 10.399 7.834 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.205 12.995 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.383 10.714 5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.018 10.593 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.345 13.149 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.418 11.703 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.719 11.211 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.643 12.735 5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.866 12.924 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.484 13.997 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.812 12.473 1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.253 12.706 1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.105 11.279 2.089 1.00 0.00 H new ATOM 658 N GLY A 42 -10.139 12.029 7.583 1.00 0.00 N ATOM 659 CA GLY A 42 -11.402 12.563 8.176 1.00 0.00 C ATOM 660 C GLY A 42 -12.594 11.763 7.646 1.00 0.00 C ATOM 661 O GLY A 42 -13.552 12.318 7.146 1.00 0.00 O ATOM 0 H GLY A 42 -10.150 11.032 7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.362 12.498 9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.517 13.617 7.924 1.00 0.00 H new ATOM 665 N GLY A 43 -12.543 10.463 7.749 1.00 0.00 N ATOM 666 CA GLY A 43 -13.676 9.633 7.249 1.00 0.00 C ATOM 667 C GLY A 43 -13.312 8.151 7.347 1.00 0.00 C ATOM 668 O GLY A 43 -13.865 7.418 8.143 1.00 0.00 O ATOM 0 H GLY A 43 -11.768 9.940 8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.574 9.836 7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.902 9.894 6.215 1.00 0.00 H new ATOM 672 N LYS A 44 -12.388 7.702 6.543 1.00 0.00 N ATOM 673 CA LYS A 44 -11.993 6.266 6.591 1.00 0.00 C ATOM 674 C LYS A 44 -10.798 6.037 5.662 1.00 0.00 C ATOM 675 O LYS A 44 -10.949 5.832 4.475 1.00 0.00 O ATOM 676 CB LYS A 44 -13.176 5.398 6.141 1.00 0.00 C ATOM 677 CG LYS A 44 -13.915 6.094 4.994 1.00 0.00 C ATOM 678 CD LYS A 44 -14.832 5.092 4.288 1.00 0.00 C ATOM 679 CE LYS A 44 -15.485 5.764 3.079 1.00 0.00 C ATOM 680 NZ LYS A 44 -16.474 4.833 2.465 1.00 0.00 N ATOM 0 H LYS A 44 -11.890 8.267 5.855 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.714 5.995 7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.820 4.420 5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.856 5.230 6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.501 6.929 5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.198 6.508 4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.260 4.221 3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.598 4.735 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.979 6.686 3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.725 6.038 2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.918 5.290 1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.990 3.965 2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.205 4.593 3.164 1.00 0.00 H new ATOM 694 N ALA A 45 -9.606 6.063 6.198 1.00 0.00 N ATOM 695 CA ALA A 45 -8.400 5.841 5.351 1.00 0.00 C ATOM 696 C ALA A 45 -8.118 4.341 5.269 1.00 0.00 C ATOM 697 O ALA A 45 -7.632 3.739 6.207 1.00 0.00 O ATOM 698 CB ALA A 45 -7.198 6.552 5.977 1.00 0.00 C ATOM 0 H ALA A 45 -9.417 6.229 7.187 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.574 6.239 4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.316 6.390 5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.402 7.621 6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.019 6.153 6.975 1.00 0.00 H new ATOM 704 N ILE A 46 -8.424 3.728 4.157 1.00 0.00 N ATOM 705 CA ILE A 46 -8.181 2.263 4.018 1.00 0.00 C ATOM 706 C ILE A 46 -6.756 2.027 3.510 1.00 0.00 C ATOM 707 O ILE A 46 -6.371 2.501 2.460 1.00 0.00 O ATOM 708 CB ILE A 46 -9.196 1.670 3.031 1.00 0.00 C ATOM 709 CG1 ILE A 46 -9.119 0.142 3.081 1.00 0.00 C ATOM 710 CG2 ILE A 46 -8.896 2.158 1.607 1.00 0.00 C ATOM 711 CD1 ILE A 46 -10.218 -0.454 2.199 1.00 0.00 C ATOM 0 H ILE A 46 -8.832 4.179 3.338 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.298 1.778 4.987 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.198 1.995 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.141 -0.195 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.234 -0.205 4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.622 1.731 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.960 3.246 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.893 1.844 1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.163 -1.542 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.193 -0.128 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.082 -0.117 1.171 1.00 0.00 H new ATOM 723 N GLU A 47 -5.969 1.300 4.259 1.00 0.00 N ATOM 724 CA GLU A 47 -4.559 1.022 3.844 1.00 0.00 C ATOM 725 C GLU A 47 -4.473 -0.395 3.272 1.00 0.00 C ATOM 726 O GLU A 47 -5.409 -1.162 3.355 1.00 0.00 O ATOM 727 CB GLU A 47 -3.650 1.126 5.075 1.00 0.00 C ATOM 728 CG GLU A 47 -3.396 2.600 5.403 1.00 0.00 C ATOM 729 CD GLU A 47 -2.424 3.191 4.382 1.00 0.00 C ATOM 730 OE1 GLU A 47 -1.229 3.109 4.614 1.00 0.00 O ATOM 731 OE2 GLU A 47 -2.890 3.717 3.386 1.00 0.00 O ATOM 0 H GLU A 47 -6.244 0.883 5.148 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.245 1.741 3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.115 0.629 5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.705 0.617 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.335 3.153 5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.985 2.694 6.408 1.00 0.00 H new ATOM 738 N TYR A 48 -3.352 -0.748 2.696 1.00 0.00 N ATOM 739 CA TYR A 48 -3.187 -2.123 2.121 1.00 0.00 C ATOM 740 C TYR A 48 -1.820 -2.680 2.529 1.00 0.00 C ATOM 741 O TYR A 48 -0.804 -2.044 2.350 1.00 0.00 O ATOM 742 CB TYR A 48 -3.271 -2.051 0.594 1.00 0.00 C ATOM 743 CG TYR A 48 -4.683 -1.704 0.181 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.733 -2.606 0.442 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.952 -0.482 -0.467 1.00 0.00 C ATOM 746 CE1 TYR A 48 -7.049 -2.286 0.058 1.00 0.00 C ATOM 747 CE2 TYR A 48 -6.269 -0.164 -0.851 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.317 -1.065 -0.588 1.00 0.00 C ATOM 749 OH TYR A 48 -8.607 -0.753 -0.966 1.00 0.00 O ATOM 0 H TYR A 48 -2.538 -0.141 2.597 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.976 -2.774 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.576 -1.301 0.216 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.978 -3.006 0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.528 -3.544 0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.148 0.211 -0.669 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.853 -2.978 0.259 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.475 0.773 -1.348 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.728 0.219 -0.945 1.00 0.00 H new ATOM 759 N ASN A 49 -1.784 -3.864 3.074 1.00 0.00 N ATOM 760 CA ASN A 49 -0.476 -4.448 3.486 1.00 0.00 C ATOM 761 C ASN A 49 0.284 -4.907 2.240 1.00 0.00 C ATOM 762 O ASN A 49 -0.162 -5.769 1.509 1.00 0.00 O ATOM 763 CB ASN A 49 -0.721 -5.643 4.412 1.00 0.00 C ATOM 764 CG ASN A 49 0.608 -6.340 4.713 1.00 0.00 C ATOM 765 OD1 ASN A 49 1.664 -5.788 4.471 1.00 0.00 O ATOM 766 ND2 ASN A 49 0.600 -7.535 5.234 1.00 0.00 N ATOM 0 H ASN A 49 -2.599 -4.451 3.252 1.00 0.00 H new ATOM 0 HA ASN A 49 0.113 -3.699 4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.186 -5.308 5.339 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.413 -6.343 3.944 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.480 -8.008 5.439 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.286 -7.997 5.437 1.00 0.00 H new ATOM 773 N ALA A 50 1.426 -4.329 1.987 1.00 0.00 N ATOM 774 CA ALA A 50 2.215 -4.718 0.784 1.00 0.00 C ATOM 775 C ALA A 50 2.510 -6.217 0.818 1.00 0.00 C ATOM 776 O ALA A 50 2.699 -6.844 -0.205 1.00 0.00 O ATOM 777 CB ALA A 50 3.534 -3.943 0.768 1.00 0.00 C ATOM 0 H ALA A 50 1.848 -3.601 2.564 1.00 0.00 H new ATOM 0 HA ALA A 50 1.640 -4.485 -0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.112 -4.227 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.327 -2.873 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.104 -4.176 1.667 1.00 0.00 H new ATOM 783 N ASN A 51 2.558 -6.794 1.984 1.00 0.00 N ATOM 784 CA ASN A 51 2.855 -8.250 2.078 1.00 0.00 C ATOM 785 C ASN A 51 1.680 -9.052 1.503 1.00 0.00 C ATOM 786 O ASN A 51 1.823 -10.199 1.130 1.00 0.00 O ATOM 787 CB ASN A 51 3.081 -8.620 3.558 1.00 0.00 C ATOM 788 CG ASN A 51 4.120 -9.741 3.670 1.00 0.00 C ATOM 789 OD1 ASN A 51 3.788 -10.866 3.987 1.00 0.00 O ATOM 790 ND2 ASN A 51 5.371 -9.472 3.419 1.00 0.00 N ATOM 0 H ASN A 51 2.405 -6.322 2.875 1.00 0.00 H new ATOM 0 HA ASN A 51 3.752 -8.486 1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.419 -7.744 4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.141 -8.939 4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.075 -10.207 3.488 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.646 -8.526 3.153 1.00 0.00 H new ATOM 797 N SER A 52 0.521 -8.455 1.432 1.00 0.00 N ATOM 798 CA SER A 52 -0.667 -9.178 0.887 1.00 0.00 C ATOM 799 C SER A 52 -0.776 -8.936 -0.623 1.00 0.00 C ATOM 800 O SER A 52 -1.492 -9.629 -1.318 1.00 0.00 O ATOM 801 CB SER A 52 -1.925 -8.663 1.586 1.00 0.00 C ATOM 802 OG SER A 52 -2.014 -9.244 2.880 1.00 0.00 O ATOM 0 H SER A 52 0.344 -7.495 1.728 1.00 0.00 H new ATOM 0 HA SER A 52 -0.559 -10.248 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.893 -7.576 1.664 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.809 -8.914 1.000 1.00 0.00 H new ATOM 0 HG SER A 52 -2.471 -8.624 3.486 1.00 0.00 H new ATOM 808 N LEU A 53 -0.077 -7.959 -1.140 1.00 0.00 N ATOM 809 CA LEU A 53 -0.156 -7.685 -2.606 1.00 0.00 C ATOM 810 C LEU A 53 0.481 -8.864 -3.369 1.00 0.00 C ATOM 811 O LEU A 53 1.391 -9.485 -2.857 1.00 0.00 O ATOM 812 CB LEU A 53 0.625 -6.402 -2.926 1.00 0.00 C ATOM 813 CG LEU A 53 -0.091 -5.170 -2.347 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.765 -3.924 -2.614 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.477 -4.993 -3.006 1.00 0.00 C ATOM 0 H LEU A 53 0.542 -7.342 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.198 -7.565 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.632 -6.471 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.730 -6.294 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.229 -5.307 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.265 -3.045 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.738 -4.042 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.901 -3.799 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.971 -4.117 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.354 -4.859 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.085 -5.878 -2.817 1.00 0.00 H new ATOM 827 N PRO A 54 0.010 -9.148 -4.575 1.00 0.00 N ATOM 828 CA PRO A 54 0.579 -10.251 -5.371 1.00 0.00 C ATOM 829 C PRO A 54 2.085 -10.022 -5.568 1.00 0.00 C ATOM 830 O PRO A 54 2.722 -9.320 -4.806 1.00 0.00 O ATOM 831 CB PRO A 54 -0.182 -10.210 -6.719 1.00 0.00 C ATOM 832 CG PRO A 54 -1.163 -9.003 -6.664 1.00 0.00 C ATOM 833 CD PRO A 54 -1.098 -8.419 -5.235 1.00 0.00 C ATOM 0 HA PRO A 54 0.471 -11.222 -4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.515 -10.100 -7.550 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.727 -11.140 -6.881 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.885 -8.249 -7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.178 -9.322 -6.902 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.908 -7.346 -5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.039 -8.566 -4.705 1.00 0.00 H new ATOM 841 N VAL A 55 2.656 -10.611 -6.584 1.00 0.00 N ATOM 842 CA VAL A 55 4.118 -10.434 -6.837 1.00 0.00 C ATOM 843 C VAL A 55 4.332 -9.319 -7.865 1.00 0.00 C ATOM 844 O VAL A 55 5.268 -8.550 -7.775 1.00 0.00 O ATOM 845 CB VAL A 55 4.692 -11.739 -7.388 1.00 0.00 C ATOM 846 CG1 VAL A 55 6.215 -11.629 -7.478 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.318 -12.894 -6.457 1.00 0.00 C ATOM 0 H VAL A 55 2.172 -11.210 -7.253 1.00 0.00 H new ATOM 0 HA VAL A 55 4.618 -10.170 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 55 4.282 -11.925 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.624 -12.560 -7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.482 -10.806 -8.142 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.626 -11.442 -6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.727 -13.825 -6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.727 -12.708 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.233 -12.973 -6.393 1.00 0.00 H new ATOM 857 N GLU A 56 3.477 -9.236 -8.848 1.00 0.00 N ATOM 858 CA GLU A 56 3.635 -8.182 -9.891 1.00 0.00 C ATOM 859 C GLU A 56 3.560 -6.792 -9.257 1.00 0.00 C ATOM 860 O GLU A 56 4.238 -5.875 -9.677 1.00 0.00 O ATOM 861 CB GLU A 56 2.523 -8.327 -10.932 1.00 0.00 C ATOM 862 CG GLU A 56 2.803 -9.545 -11.816 1.00 0.00 C ATOM 863 CD GLU A 56 3.927 -9.216 -12.801 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.653 -8.536 -13.775 1.00 0.00 O ATOM 865 OE2 GLU A 56 5.042 -9.651 -12.563 1.00 0.00 O ATOM 0 H GLU A 56 2.675 -9.853 -8.974 1.00 0.00 H new ATOM 0 HA GLU A 56 4.607 -8.300 -10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.559 -8.439 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.464 -7.427 -11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.085 -10.398 -11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.901 -9.828 -12.359 1.00 0.00 H new ATOM 872 N ALA A 57 2.740 -6.617 -8.257 1.00 0.00 N ATOM 873 CA ALA A 57 2.633 -5.272 -7.622 1.00 0.00 C ATOM 874 C ALA A 57 3.817 -5.061 -6.677 1.00 0.00 C ATOM 875 O ALA A 57 4.280 -3.956 -6.495 1.00 0.00 O ATOM 876 CB ALA A 57 1.323 -5.176 -6.838 1.00 0.00 C ATOM 0 H ALA A 57 2.144 -7.340 -7.855 1.00 0.00 H new ATOM 0 HA ALA A 57 2.645 -4.503 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.247 -4.192 -6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.482 -5.324 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.305 -5.943 -6.064 1.00 0.00 H new ATOM 882 N LYS A 58 4.316 -6.109 -6.083 1.00 0.00 N ATOM 883 CA LYS A 58 5.476 -5.958 -5.159 1.00 0.00 C ATOM 884 C LYS A 58 6.645 -5.329 -5.931 1.00 0.00 C ATOM 885 O LYS A 58 7.026 -4.201 -5.691 1.00 0.00 O ATOM 886 CB LYS A 58 5.882 -7.352 -4.623 1.00 0.00 C ATOM 887 CG LYS A 58 5.348 -7.563 -3.195 1.00 0.00 C ATOM 888 CD LYS A 58 6.299 -6.909 -2.183 1.00 0.00 C ATOM 889 CE LYS A 58 5.814 -7.194 -0.760 1.00 0.00 C ATOM 890 NZ LYS A 58 6.932 -6.968 0.199 1.00 0.00 N ATOM 0 H LYS A 58 3.972 -7.062 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 58 5.210 -5.317 -4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.491 -8.128 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.968 -7.447 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.351 -7.132 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.256 -8.629 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.310 -7.295 -2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.343 -5.833 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.973 -6.546 -0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.458 -8.221 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.604 -7.161 1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.722 -7.604 -0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.252 -5.981 0.133 1.00 0.00 H new ATOM 904 N ALA A 59 7.213 -6.057 -6.855 1.00 0.00 N ATOM 905 CA ALA A 59 8.356 -5.515 -7.646 1.00 0.00 C ATOM 906 C ALA A 59 8.026 -4.096 -8.115 1.00 0.00 C ATOM 907 O ALA A 59 8.834 -3.193 -8.014 1.00 0.00 O ATOM 908 CB ALA A 59 8.597 -6.409 -8.864 1.00 0.00 C ATOM 0 H ALA A 59 6.933 -7.008 -7.097 1.00 0.00 H new ATOM 0 HA ALA A 59 9.251 -5.493 -7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.432 -6.016 -9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.830 -7.421 -8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.701 -6.428 -9.484 1.00 0.00 H new ATOM 914 N ALA A 60 6.845 -3.895 -8.624 1.00 0.00 N ATOM 915 CA ALA A 60 6.463 -2.537 -9.097 1.00 0.00 C ATOM 916 C ALA A 60 6.389 -1.586 -7.903 1.00 0.00 C ATOM 917 O ALA A 60 6.671 -0.409 -8.018 1.00 0.00 O ATOM 918 CB ALA A 60 5.099 -2.600 -9.786 1.00 0.00 C ATOM 0 H ALA A 60 6.127 -4.612 -8.733 1.00 0.00 H new ATOM 0 HA ALA A 60 7.209 -2.175 -9.805 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.820 -1.605 -10.132 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.152 -3.279 -10.637 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.351 -2.962 -9.080 1.00 0.00 H new ATOM 924 N LEU A 61 6.014 -2.082 -6.755 1.00 0.00 N ATOM 925 CA LEU A 61 5.926 -1.196 -5.562 1.00 0.00 C ATOM 926 C LEU A 61 7.327 -0.703 -5.193 1.00 0.00 C ATOM 927 O LEU A 61 7.498 0.405 -4.731 1.00 0.00 O ATOM 928 CB LEU A 61 5.318 -1.961 -4.377 1.00 0.00 C ATOM 929 CG LEU A 61 4.982 -0.982 -3.232 1.00 0.00 C ATOM 930 CD1 LEU A 61 3.633 -0.293 -3.491 1.00 0.00 C ATOM 931 CD2 LEU A 61 4.898 -1.747 -1.909 1.00 0.00 C ATOM 0 H LEU A 61 5.766 -3.058 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 61 5.287 -0.344 -5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.416 -2.484 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.018 -2.718 -4.025 1.00 0.00 H new ATOM 0 HG LEU A 61 5.768 -0.228 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.412 0.394 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.682 0.262 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.847 -1.045 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.661 -1.054 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.118 -2.506 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.855 -2.227 -1.705 1.00 0.00 H new ATOM 943 N LEU A 62 8.331 -1.513 -5.398 1.00 0.00 N ATOM 944 CA LEU A 62 9.715 -1.074 -5.061 1.00 0.00 C ATOM 945 C LEU A 62 10.071 0.142 -5.916 1.00 0.00 C ATOM 946 O LEU A 62 10.549 1.143 -5.420 1.00 0.00 O ATOM 947 CB LEU A 62 10.705 -2.208 -5.343 1.00 0.00 C ATOM 948 CG LEU A 62 10.190 -3.515 -4.732 1.00 0.00 C ATOM 949 CD1 LEU A 62 11.282 -4.582 -4.832 1.00 0.00 C ATOM 950 CD2 LEU A 62 9.825 -3.295 -3.257 1.00 0.00 C ATOM 0 H LEU A 62 8.253 -2.455 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 62 9.769 -0.813 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.838 -2.327 -6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.682 -1.962 -4.926 1.00 0.00 H new ATOM 0 HG LEU A 62 9.303 -3.842 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.920 -5.514 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.538 -4.744 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.167 -4.249 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.460 -4.229 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.708 -2.966 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.048 -2.534 -3.184 1.00 0.00 H new ATOM 962 N LEU A 63 9.826 0.071 -7.196 1.00 0.00 N ATOM 963 CA LEU A 63 10.135 1.235 -8.073 1.00 0.00 C ATOM 964 C LEU A 63 9.214 2.384 -7.668 1.00 0.00 C ATOM 965 O LEU A 63 9.539 3.546 -7.808 1.00 0.00 O ATOM 966 CB LEU A 63 9.868 0.862 -9.537 1.00 0.00 C ATOM 967 CG LEU A 63 10.995 -0.026 -10.098 1.00 0.00 C ATOM 968 CD1 LEU A 63 12.253 0.808 -10.390 1.00 0.00 C ATOM 969 CD2 LEU A 63 11.335 -1.142 -9.101 1.00 0.00 C ATOM 0 H LEU A 63 9.427 -0.739 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 63 11.181 1.524 -7.966 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.915 0.338 -9.614 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.782 1.768 -10.137 1.00 0.00 H new ATOM 0 HG LEU A 63 10.646 -0.469 -11.031 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.035 0.160 -10.785 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.016 1.579 -11.123 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.601 1.277 -9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.133 -1.763 -9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.663 -0.701 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.451 -1.755 -8.926 1.00 0.00 H new ATOM 981 N ARG A 64 8.062 2.049 -7.162 1.00 0.00 N ATOM 982 CA ARG A 64 7.087 3.092 -6.733 1.00 0.00 C ATOM 983 C ARG A 64 7.609 3.793 -5.469 1.00 0.00 C ATOM 984 O ARG A 64 7.561 5.003 -5.359 1.00 0.00 O ATOM 985 CB ARG A 64 5.743 2.404 -6.423 1.00 0.00 C ATOM 986 CG ARG A 64 4.566 3.427 -6.377 1.00 0.00 C ATOM 987 CD ARG A 64 4.095 3.670 -4.931 1.00 0.00 C ATOM 988 NE ARG A 64 5.090 4.519 -4.216 1.00 0.00 N ATOM 989 CZ ARG A 64 4.776 5.076 -3.077 1.00 0.00 C ATOM 990 NH1 ARG A 64 3.602 4.871 -2.552 1.00 0.00 N ATOM 991 NH2 ARG A 64 5.643 5.834 -2.463 1.00 0.00 N ATOM 0 H ARG A 64 7.750 1.088 -7.025 1.00 0.00 H new ATOM 0 HA ARG A 64 6.956 3.832 -7.523 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.538 1.648 -7.181 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.812 1.886 -5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.883 4.370 -6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.734 3.055 -6.976 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.120 4.158 -4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.974 2.719 -4.413 1.00 0.00 H new ATOM 0 HE ARG A 64 6.017 4.665 -4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.926 4.275 -3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.358 5.307 -1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.564 5.991 -2.873 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.400 6.270 -1.573 1.00 0.00 H new ATOM 1005 N GLN A 65 8.101 3.039 -4.517 1.00 0.00 N ATOM 1006 CA GLN A 65 8.622 3.638 -3.254 1.00 0.00 C ATOM 1007 C GLN A 65 9.429 4.905 -3.556 1.00 0.00 C ATOM 1008 O GLN A 65 10.442 4.869 -4.225 1.00 0.00 O ATOM 1009 CB GLN A 65 9.518 2.608 -2.554 1.00 0.00 C ATOM 1010 CG GLN A 65 8.648 1.559 -1.859 1.00 0.00 C ATOM 1011 CD GLN A 65 7.986 2.180 -0.628 1.00 0.00 C ATOM 1012 OE1 GLN A 65 6.790 2.398 -0.612 1.00 0.00 O ATOM 1013 NE2 GLN A 65 8.717 2.476 0.411 1.00 0.00 N ATOM 0 H GLN A 65 8.163 2.022 -4.564 1.00 0.00 H new ATOM 0 HA GLN A 65 7.786 3.908 -2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.174 2.128 -3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.159 3.104 -1.825 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.887 1.189 -2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.256 0.703 -1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.720 2.293 0.397 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.285 2.890 1.237 1.00 0.00 H new ATOM 1022 N GLY A 66 8.981 6.025 -3.057 1.00 0.00 N ATOM 1023 CA GLY A 66 9.707 7.303 -3.296 1.00 0.00 C ATOM 1024 C GLY A 66 9.271 8.327 -2.248 1.00 0.00 C ATOM 1025 O GLY A 66 9.890 9.358 -2.072 1.00 0.00 O ATOM 0 H GLY A 66 8.137 6.109 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.783 7.141 -3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.494 7.676 -4.298 1.00 0.00 H new ATOM 1029 N GLU A 67 8.205 8.044 -1.548 1.00 0.00 N ATOM 1030 CA GLU A 67 7.716 8.988 -0.504 1.00 0.00 C ATOM 1031 C GLU A 67 6.844 8.219 0.492 1.00 0.00 C ATOM 1032 O GLU A 67 5.637 8.162 0.361 1.00 0.00 O ATOM 1033 CB GLU A 67 6.889 10.092 -1.164 1.00 0.00 C ATOM 1034 CG GLU A 67 6.344 11.032 -0.088 1.00 0.00 C ATOM 1035 CD GLU A 67 5.718 12.261 -0.751 1.00 0.00 C ATOM 1036 OE1 GLU A 67 6.240 12.691 -1.766 1.00 0.00 O ATOM 1037 OE2 GLU A 67 4.727 12.749 -0.234 1.00 0.00 O ATOM 0 H GLU A 67 7.650 7.195 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 67 8.562 9.436 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.504 10.649 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.067 9.656 -1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.601 10.515 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.147 11.337 0.583 1.00 0.00 H new ATOM 1044 N ILE A 68 7.447 7.622 1.484 1.00 0.00 N ATOM 1045 CA ILE A 68 6.654 6.851 2.483 1.00 0.00 C ATOM 1046 C ILE A 68 5.824 7.810 3.339 1.00 0.00 C ATOM 1047 O ILE A 68 4.803 7.443 3.885 1.00 0.00 O ATOM 1048 CB ILE A 68 7.607 6.057 3.380 1.00 0.00 C ATOM 1049 CG1 ILE A 68 8.640 5.338 2.507 1.00 0.00 C ATOM 1050 CG2 ILE A 68 6.811 5.026 4.187 1.00 0.00 C ATOM 1051 CD1 ILE A 68 9.540 4.464 3.384 1.00 0.00 C ATOM 0 H ILE A 68 8.454 7.635 1.646 1.00 0.00 H new ATOM 0 HA ILE A 68 5.984 6.166 1.963 1.00 0.00 H new ATOM 0 HB ILE A 68 8.116 6.736 4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 68 8.135 4.723 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 68 9.242 6.067 1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.490 4.461 4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.074 5.538 4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.302 4.344 3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 68 10.273 3.954 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 68 10.056 5.089 4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.932 3.725 3.906 1.00 0.00 H new ATOM 1063 N GLU A 69 6.251 9.040 3.462 1.00 0.00 N ATOM 1064 CA GLU A 69 5.485 10.025 4.284 1.00 0.00 C ATOM 1065 C GLU A 69 5.644 11.422 3.684 1.00 0.00 C ATOM 1066 O GLU A 69 4.696 12.176 3.579 1.00 0.00 O ATOM 1067 CB GLU A 69 6.026 10.024 5.716 1.00 0.00 C ATOM 1068 CG GLU A 69 5.978 8.603 6.280 1.00 0.00 C ATOM 1069 CD GLU A 69 6.267 8.640 7.782 1.00 0.00 C ATOM 1070 OE1 GLU A 69 7.417 8.835 8.139 1.00 0.00 O ATOM 1071 OE2 GLU A 69 5.333 8.472 8.549 1.00 0.00 O ATOM 0 H GLU A 69 7.099 9.406 3.028 1.00 0.00 H new ATOM 0 HA GLU A 69 4.431 9.749 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.050 10.397 5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.434 10.694 6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.998 8.161 6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.710 7.974 5.773 1.00 0.00 H new ATOM 1078 N THR A 70 6.834 11.772 3.290 1.00 0.00 N ATOM 1079 CA THR A 70 7.058 13.121 2.696 1.00 0.00 C ATOM 1080 C THR A 70 8.427 13.157 2.016 1.00 0.00 C ATOM 1081 O THR A 70 8.574 13.665 0.922 1.00 0.00 O ATOM 1082 CB THR A 70 7.009 14.180 3.801 1.00 0.00 C ATOM 1083 OG1 THR A 70 5.801 14.039 4.536 1.00 0.00 O ATOM 1084 CG2 THR A 70 7.069 15.575 3.176 1.00 0.00 C ATOM 0 H THR A 70 7.664 11.183 3.353 1.00 0.00 H new ATOM 0 HA THR A 70 6.281 13.328 1.960 1.00 0.00 H new ATOM 0 HB THR A 70 7.859 14.048 4.470 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.096 13.702 3.945 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.034 16.328 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.996 15.682 2.613 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.220 15.710 2.506 1.00 0.00 H new ATOM 1092 N SER A 71 9.427 12.620 2.655 1.00 0.00 N ATOM 1093 CA SER A 71 10.788 12.622 2.050 1.00 0.00 C ATOM 1094 C SER A 71 11.725 11.759 2.898 1.00 0.00 C ATOM 1095 O SER A 71 11.290 10.989 3.731 1.00 0.00 O ATOM 1096 CB SER A 71 11.321 14.054 1.999 1.00 0.00 C ATOM 1097 OG SER A 71 12.596 14.058 1.373 1.00 0.00 O ATOM 0 H SER A 71 9.361 12.179 3.572 1.00 0.00 H new ATOM 0 HA SER A 71 10.737 12.217 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.630 14.692 1.448 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.397 14.462 3.007 1.00 0.00 H new ATOM 0 HG SER A 71 12.587 13.446 0.608 1.00 0.00 H new ATOM 1103 N LEU A 72 13.007 11.882 2.693 1.00 0.00 N ATOM 1104 CA LEU A 72 13.970 11.070 3.489 1.00 0.00 C ATOM 1105 C LEU A 72 15.366 11.696 3.393 1.00 0.00 C ATOM 1106 O LEU A 72 15.557 12.716 2.762 1.00 0.00 O ATOM 1107 CB LEU A 72 13.999 9.630 2.949 1.00 0.00 C ATOM 1108 CG LEU A 72 13.804 9.636 1.428 1.00 0.00 C ATOM 1109 CD1 LEU A 72 14.864 10.524 0.770 1.00 0.00 C ATOM 1110 CD2 LEU A 72 13.936 8.206 0.898 1.00 0.00 C ATOM 0 H LEU A 72 13.430 12.510 2.009 1.00 0.00 H new ATOM 0 HA LEU A 72 13.658 11.051 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 72 14.949 9.158 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.214 9.040 3.422 1.00 0.00 H new ATOM 0 HG LEU A 72 12.814 10.027 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 72 14.719 10.524 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 72 14.771 11.542 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.857 10.139 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.798 8.205 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 72 14.926 7.819 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 72 13.178 7.575 1.361 1.00 0.00 H new ATOM 1122 N GLY A 73 16.341 11.092 4.015 1.00 0.00 N ATOM 1123 CA GLY A 73 17.721 11.653 3.959 1.00 0.00 C ATOM 1124 C GLY A 73 17.691 13.129 4.359 1.00 0.00 C ATOM 1125 O GLY A 73 18.655 13.846 4.190 1.00 0.00 O ATOM 0 H GLY A 73 16.242 10.235 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 73 18.378 11.098 4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 73 18.127 11.546 2.953 1.00 0.00 H new ATOM 1129 N TYR A 74 16.583 13.586 4.882 1.00 0.00 N ATOM 1130 CA TYR A 74 16.469 15.009 5.294 1.00 0.00 C ATOM 1131 C TYR A 74 16.820 15.897 4.106 1.00 0.00 C ATOM 1132 O TYR A 74 17.808 16.603 4.110 1.00 0.00 O ATOM 1133 CB TYR A 74 17.421 15.288 6.464 1.00 0.00 C ATOM 1134 CG TYR A 74 16.814 14.775 7.750 1.00 0.00 C ATOM 1135 CD1 TYR A 74 15.875 15.560 8.447 1.00 0.00 C ATOM 1136 CD2 TYR A 74 17.188 13.514 8.252 1.00 0.00 C ATOM 1137 CE1 TYR A 74 15.312 15.083 9.646 1.00 0.00 C ATOM 1138 CE2 TYR A 74 16.623 13.037 9.450 1.00 0.00 C ATOM 1139 CZ TYR A 74 15.685 13.821 10.147 1.00 0.00 C ATOM 1140 OH TYR A 74 15.132 13.354 11.322 1.00 0.00 O ATOM 0 H TYR A 74 15.746 13.025 5.041 1.00 0.00 H new ATOM 0 HA TYR A 74 15.450 15.221 5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 74 18.382 14.805 6.286 1.00 0.00 H new ATOM 0 HB3 TYR A 74 17.612 16.358 6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 74 15.587 16.527 8.062 1.00 0.00 H new ATOM 0 HD2 TYR A 74 17.909 12.912 7.718 1.00 0.00 H new ATOM 0 HE1 TYR A 74 14.594 15.685 10.182 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.910 12.069 9.834 1.00 0.00 H new ATOM 0 HH TYR A 74 15.496 12.467 11.525 1.00 0.00 H new ATOM 1150 N PHE A 75 16.015 15.852 3.082 1.00 0.00 N ATOM 1151 CA PHE A 75 16.290 16.681 1.878 1.00 0.00 C ATOM 1152 C PHE A 75 17.720 16.424 1.409 1.00 0.00 C ATOM 1153 O PHE A 75 18.285 17.189 0.653 1.00 0.00 O ATOM 1154 CB PHE A 75 16.119 18.164 2.220 1.00 0.00 C ATOM 1155 CG PHE A 75 14.673 18.442 2.551 1.00 0.00 C ATOM 1156 CD1 PHE A 75 14.217 18.315 3.877 1.00 0.00 C ATOM 1157 CD2 PHE A 75 13.780 18.829 1.534 1.00 0.00 C ATOM 1158 CE1 PHE A 75 12.868 18.576 4.186 1.00 0.00 C ATOM 1159 CE2 PHE A 75 12.431 19.090 1.842 1.00 0.00 C ATOM 1160 CZ PHE A 75 11.975 18.964 3.169 1.00 0.00 C ATOM 0 H PHE A 75 15.176 15.275 3.028 1.00 0.00 H new ATOM 0 HA PHE A 75 15.591 16.416 1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 75 16.754 18.428 3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 75 16.435 18.781 1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 75 14.902 18.017 4.657 1.00 0.00 H new ATOM 0 HD2 PHE A 75 14.130 18.926 0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.518 18.479 5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.746 19.387 1.061 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.941 19.165 3.406 1.00 0.00 H new ATOM 1170 N GLU A 76 18.316 15.345 1.853 1.00 0.00 N ATOM 1171 CA GLU A 76 19.717 15.033 1.432 1.00 0.00 C ATOM 1172 C GLU A 76 19.884 13.517 1.304 1.00 0.00 C ATOM 1173 O GLU A 76 18.924 12.792 1.137 1.00 0.00 O ATOM 1174 CB GLU A 76 20.699 15.574 2.476 1.00 0.00 C ATOM 1175 CG GLU A 76 20.621 17.102 2.508 1.00 0.00 C ATOM 1176 CD GLU A 76 21.720 17.651 3.419 1.00 0.00 C ATOM 1177 OE1 GLU A 76 22.712 16.963 3.599 1.00 0.00 O ATOM 1178 OE2 GLU A 76 21.552 18.750 3.921 1.00 0.00 O ATOM 1179 OXT GLU A 76 21.096 13.030 1.376 1.00 0.00 O ATOM 0 H GLU A 76 17.894 14.668 2.488 1.00 0.00 H new ATOM 0 HA GLU A 76 19.921 15.502 0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.462 15.167 3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.713 15.256 2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.735 17.503 1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 76 19.643 17.419 2.869 1.00 0.00 H new TER 1186 GLU A 76