USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 579 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 12 GLN :FLIP amide:sc= 0.112 F(o=-1.1,f=0.11) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -12:sc= 0.991 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0747 K(o=-0.075,f=-1.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 100:sc= -2.85! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -162:sc= -0.0145 (180deg=-0.537) USER MOD Single : A 41 HIS : no HE2:sc= -10.2! C(o=-10!,f=-15!) USER MOD Single : A 43 SER OG : rot 130:sc= -4.78! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -143:sc= -8.09! (180deg=-12.6!) USER MOD Single : A 54 SER OG : rot -170:sc= -2.85 USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= -0.434 (180deg=-0.495) USER MOD Single : A 65 LYS NZ :NH3+ -113:sc= -0.682 (180deg=-2.88!) USER MOD Single : A 67 ASN : amide:sc= -4.13! C(o=-4.1!,f=-11!) USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= 1.06 (180deg=-1.23) USER MOD Single : A 71 LYS NZ :NH3+ -138:sc= 0.953 (180deg=-0.15) USER MOD Single : A 72 LYS NZ :NH3+ 149:sc= 0.482 (180deg=-0.0424) USER MOD Single : A 74 SER OG : rot 180:sc= -0.486 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 0.878 16.195 0.798 1.00 0.00 N ATOM 2 CA PRO A 9 0.349 16.008 2.176 1.00 0.00 C ATOM 3 C PRO A 9 0.991 14.809 2.872 1.00 0.00 C ATOM 4 O PRO A 9 1.570 14.940 3.951 1.00 0.00 O ATOM 5 CB PRO A 9 -1.161 15.815 2.068 1.00 0.00 C ATOM 6 CG PRO A 9 -1.417 15.716 0.602 1.00 0.00 C ATOM 7 CD PRO A 9 -0.281 16.440 -0.078 1.00 0.00 C ATOM 0 HA PRO A 9 0.587 16.884 2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.485 14.915 2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.701 16.652 2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.459 14.674 0.284 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.375 16.167 0.344 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.109 16.056 -1.083 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.489 17.506 -0.175 1.00 0.00 H new ATOM 15 N GLY A 10 0.882 13.640 2.247 1.00 0.00 N ATOM 16 CA GLY A 10 1.454 12.436 2.820 1.00 0.00 C ATOM 17 C GLY A 10 2.737 12.017 2.130 1.00 0.00 C ATOM 18 O GLY A 10 3.464 12.854 1.596 1.00 0.00 O ATOM 0 H GLY A 10 0.408 13.506 1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.652 12.600 3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.728 11.626 2.753 1.00 0.00 H new ATOM 22 N LEU A 11 3.017 10.718 2.145 1.00 0.00 N ATOM 23 CA LEU A 11 4.217 10.188 1.522 1.00 0.00 C ATOM 24 C LEU A 11 4.134 10.286 0.003 1.00 0.00 C ATOM 25 O LEU A 11 3.063 10.117 -0.582 1.00 0.00 O ATOM 26 CB LEU A 11 4.435 8.733 1.939 1.00 0.00 C ATOM 27 CG LEU A 11 4.131 8.429 3.409 1.00 0.00 C ATOM 28 CD1 LEU A 11 2.837 7.638 3.535 1.00 0.00 C ATOM 29 CD2 LEU A 11 5.287 7.673 4.049 1.00 0.00 C ATOM 0 H LEU A 11 2.425 10.013 2.584 1.00 0.00 H new ATOM 0 HA LEU A 11 5.063 10.787 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.810 8.094 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.471 8.463 1.734 1.00 0.00 H new ATOM 0 HG LEU A 11 4.007 9.375 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.638 7.431 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.014 8.218 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.931 6.698 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.053 7.466 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.445 6.733 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.192 8.277 3.993 1.00 0.00 H new ATOM 41 N GLN A 12 5.268 10.564 -0.631 1.00 0.00 N ATOM 42 CA GLN A 12 5.322 10.690 -2.079 1.00 0.00 C ATOM 43 C GLN A 12 4.864 9.408 -2.767 1.00 0.00 C ATOM 44 O GLN A 12 5.173 8.303 -2.320 1.00 0.00 O ATOM 45 CB GLN A 12 6.741 11.044 -2.526 1.00 0.00 C ATOM 46 CG GLN A 12 6.794 12.226 -3.476 1.00 0.00 C ATOM 47 CD GLN A 12 6.491 11.833 -4.910 1.00 0.00 C ATOM 48 OE1 GLN A 12 5.216 11.883 -5.282 1.00 0.00 O flip ATOM 49 NE2 GLN A 12 7.393 11.488 -5.673 1.00 0.00 N flip ATOM 0 H GLN A 12 6.163 10.706 -0.162 1.00 0.00 H new ATOM 0 HA GLN A 12 4.642 11.491 -2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.347 11.266 -1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.189 10.177 -3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.079 12.982 -3.151 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.783 12.682 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.358 11.464 -5.344 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.175 11.226 -6.634 1.00 0.00 H new ATOM 58 N ILE A 13 4.120 9.571 -3.854 1.00 0.00 N ATOM 59 CA ILE A 13 3.605 8.446 -4.615 1.00 0.00 C ATOM 60 C ILE A 13 4.717 7.681 -5.323 1.00 0.00 C ATOM 61 O ILE A 13 5.563 8.269 -5.996 1.00 0.00 O ATOM 62 CB ILE A 13 2.601 8.931 -5.669 1.00 0.00 C ATOM 63 CG1 ILE A 13 1.498 9.753 -5.003 1.00 0.00 C ATOM 64 CG2 ILE A 13 2.022 7.757 -6.451 1.00 0.00 C ATOM 65 CD1 ILE A 13 0.465 8.915 -4.283 1.00 0.00 C ATOM 0 H ILE A 13 3.859 10.483 -4.229 1.00 0.00 H new ATOM 0 HA ILE A 13 3.118 7.779 -3.904 1.00 0.00 H new ATOM 0 HB ILE A 13 3.123 9.571 -6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.951 10.444 -4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.999 10.357 -5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.313 8.127 -7.192 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.828 7.223 -6.955 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.511 7.080 -5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.285 9.567 -3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.016 8.242 -4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.951 8.331 -3.501 1.00 0.00 H new ATOM 77 N TYR A 14 4.684 6.363 -5.182 1.00 0.00 N ATOM 78 CA TYR A 14 5.660 5.494 -5.819 1.00 0.00 C ATOM 79 C TYR A 14 4.942 4.484 -6.708 1.00 0.00 C ATOM 80 O TYR A 14 3.838 4.045 -6.387 1.00 0.00 O ATOM 81 CB TYR A 14 6.496 4.767 -4.764 1.00 0.00 C ATOM 82 CG TYR A 14 7.219 5.695 -3.811 1.00 0.00 C ATOM 83 CD1 TYR A 14 7.605 6.969 -4.206 1.00 0.00 C ATOM 84 CD2 TYR A 14 7.517 5.292 -2.516 1.00 0.00 C ATOM 85 CE1 TYR A 14 8.268 7.816 -3.338 1.00 0.00 C ATOM 86 CE2 TYR A 14 8.178 6.133 -1.640 1.00 0.00 C ATOM 87 CZ TYR A 14 8.551 7.393 -2.056 1.00 0.00 C ATOM 88 OH TYR A 14 9.211 8.233 -1.188 1.00 0.00 O ATOM 0 H TYR A 14 3.985 5.870 -4.627 1.00 0.00 H new ATOM 0 HA TYR A 14 6.329 6.100 -6.431 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.846 4.107 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.228 4.135 -5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.383 7.304 -5.209 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.227 4.305 -2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.563 8.803 -3.662 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.401 5.805 -0.636 1.00 0.00 H new ATOM 0 HH TYR A 14 9.331 7.783 -0.326 1.00 0.00 H new ATOM 98 N PRO A 15 5.546 4.106 -7.844 1.00 0.00 N ATOM 99 CA PRO A 15 4.935 3.149 -8.773 1.00 0.00 C ATOM 100 C PRO A 15 4.924 1.725 -8.230 1.00 0.00 C ATOM 101 O PRO A 15 5.350 0.793 -8.911 1.00 0.00 O ATOM 102 CB PRO A 15 5.827 3.246 -10.014 1.00 0.00 C ATOM 103 CG PRO A 15 7.150 3.688 -9.494 1.00 0.00 C ATOM 104 CD PRO A 15 6.858 4.583 -8.320 1.00 0.00 C ATOM 0 HA PRO A 15 3.887 3.380 -8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.903 2.285 -10.524 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.427 3.959 -10.735 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.755 2.833 -9.192 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.712 4.221 -10.261 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.622 4.495 -7.548 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.822 5.632 -8.614 1.00 0.00 H new ATOM 112 N TYR A 16 4.418 1.566 -7.007 1.00 0.00 N ATOM 113 CA TYR A 16 4.330 0.252 -6.359 1.00 0.00 C ATOM 114 C TYR A 16 5.675 -0.460 -6.320 1.00 0.00 C ATOM 115 O TYR A 16 6.269 -0.642 -5.260 1.00 0.00 O ATOM 116 CB TYR A 16 3.302 -0.628 -7.075 1.00 0.00 C ATOM 117 CG TYR A 16 3.002 -1.930 -6.358 1.00 0.00 C ATOM 118 CD1 TYR A 16 2.356 -1.940 -5.126 1.00 0.00 C ATOM 119 CD2 TYR A 16 3.357 -3.150 -6.920 1.00 0.00 C ATOM 120 CE1 TYR A 16 2.074 -3.128 -4.476 1.00 0.00 C ATOM 121 CE2 TYR A 16 3.076 -4.340 -6.279 1.00 0.00 C ATOM 122 CZ TYR A 16 2.436 -4.325 -5.059 1.00 0.00 C ATOM 123 OH TYR A 16 2.159 -5.511 -4.418 1.00 0.00 O ATOM 0 H TYR A 16 4.060 2.335 -6.440 1.00 0.00 H new ATOM 0 HA TYR A 16 4.013 0.423 -5.330 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.375 -0.066 -7.190 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.666 -0.852 -8.078 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.070 -1.004 -4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.861 -3.168 -7.875 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.574 -3.119 -3.519 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.357 -5.279 -6.732 1.00 0.00 H new ATOM 0 HH TYR A 16 1.882 -5.328 -3.496 1.00 0.00 H new ATOM 133 N GLU A 17 6.128 -0.867 -7.488 1.00 0.00 N ATOM 134 CA GLU A 17 7.395 -1.579 -7.649 1.00 0.00 C ATOM 135 C GLU A 17 8.514 -0.916 -6.856 1.00 0.00 C ATOM 136 O GLU A 17 9.467 -1.573 -6.439 1.00 0.00 O ATOM 137 CB GLU A 17 7.776 -1.643 -9.129 1.00 0.00 C ATOM 138 CG GLU A 17 6.787 -2.424 -9.978 1.00 0.00 C ATOM 139 CD GLU A 17 7.146 -2.412 -11.451 1.00 0.00 C ATOM 140 OE1 GLU A 17 7.523 -1.335 -11.962 1.00 0.00 O ATOM 141 OE2 GLU A 17 7.051 -3.478 -12.095 1.00 0.00 O ATOM 0 H GLU A 17 5.629 -0.715 -8.364 1.00 0.00 H new ATOM 0 HA GLU A 17 7.261 -2.589 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.855 -0.628 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.762 -2.099 -9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.746 -3.455 -9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.790 -2.003 -9.847 1.00 0.00 H new ATOM 148 N MET A 18 8.388 0.387 -6.647 1.00 0.00 N ATOM 149 CA MET A 18 9.388 1.133 -5.898 1.00 0.00 C ATOM 150 C MET A 18 9.461 0.625 -4.461 1.00 0.00 C ATOM 151 O MET A 18 10.467 0.800 -3.772 1.00 0.00 O ATOM 152 CB MET A 18 9.063 2.629 -5.914 1.00 0.00 C ATOM 153 CG MET A 18 10.096 3.467 -6.649 1.00 0.00 C ATOM 154 SD MET A 18 11.338 4.164 -5.542 1.00 0.00 S ATOM 155 CE MET A 18 12.626 2.923 -5.652 1.00 0.00 C ATOM 0 H MET A 18 7.606 0.948 -6.985 1.00 0.00 H new ATOM 0 HA MET A 18 10.358 0.983 -6.372 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.089 2.776 -6.381 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.981 2.986 -4.887 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.589 2.851 -7.401 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.592 4.275 -7.179 1.00 0.00 H new ATOM 0 HE1 MET A 18 13.465 3.213 -5.020 1.00 0.00 H new ATOM 0 HE2 MET A 18 12.235 1.962 -5.318 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.962 2.838 -6.685 1.00 0.00 H new ATOM 165 N LEU A 19 8.379 -0.009 -4.023 1.00 0.00 N ATOM 166 CA LEU A 19 8.284 -0.556 -2.679 1.00 0.00 C ATOM 167 C LEU A 19 8.282 -2.083 -2.716 1.00 0.00 C ATOM 168 O LEU A 19 8.707 -2.739 -1.765 1.00 0.00 O ATOM 169 CB LEU A 19 6.996 -0.067 -2.022 1.00 0.00 C ATOM 170 CG LEU A 19 6.776 1.446 -2.059 1.00 0.00 C ATOM 171 CD1 LEU A 19 5.330 1.764 -2.416 1.00 0.00 C ATOM 172 CD2 LEU A 19 7.149 2.076 -0.722 1.00 0.00 C ATOM 0 H LEU A 19 7.545 -0.157 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 19 9.148 -0.220 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.151 -0.552 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.992 -0.393 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 19 7.423 1.869 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.190 2.845 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.097 1.348 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.666 1.327 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.985 3.153 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.530 1.649 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.199 1.878 -0.507 1.00 0.00 H new ATOM 184 N VAL A 20 7.784 -2.637 -3.818 1.00 0.00 N ATOM 185 CA VAL A 20 7.699 -4.084 -3.995 1.00 0.00 C ATOM 186 C VAL A 20 9.010 -4.783 -3.654 1.00 0.00 C ATOM 187 O VAL A 20 9.867 -4.971 -4.517 1.00 0.00 O ATOM 188 CB VAL A 20 7.303 -4.441 -5.441 1.00 0.00 C ATOM 189 CG1 VAL A 20 7.328 -5.947 -5.660 1.00 0.00 C ATOM 190 CG2 VAL A 20 5.934 -3.878 -5.762 1.00 0.00 C ATOM 0 H VAL A 20 7.430 -2.099 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 20 6.931 -4.433 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 20 8.033 -3.994 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.044 -6.170 -6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.332 -6.326 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.625 -6.426 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.665 -4.137 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.198 -4.298 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.952 -2.793 -5.655 1.00 0.00 H new ATOM 200 N VAL A 21 9.150 -5.189 -2.399 1.00 0.00 N ATOM 201 CA VAL A 21 10.336 -5.888 -1.961 1.00 0.00 C ATOM 202 C VAL A 21 9.993 -7.313 -1.537 1.00 0.00 C ATOM 203 O VAL A 21 9.291 -7.526 -0.549 1.00 0.00 O ATOM 204 CB VAL A 21 11.027 -5.158 -0.791 1.00 0.00 C ATOM 205 CG1 VAL A 21 12.288 -5.894 -0.364 1.00 0.00 C ATOM 206 CG2 VAL A 21 11.347 -3.721 -1.174 1.00 0.00 C ATOM 0 H VAL A 21 8.452 -5.043 -1.670 1.00 0.00 H new ATOM 0 HA VAL A 21 11.025 -5.915 -2.806 1.00 0.00 H new ATOM 0 HB VAL A 21 10.341 -5.144 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.758 -5.361 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 21 12.029 -6.903 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.981 -5.946 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.834 -3.221 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.012 -3.714 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.424 -3.197 -1.423 1.00 0.00 H new ATOM 216 N THR A 22 10.495 -8.282 -2.292 1.00 0.00 N ATOM 217 CA THR A 22 10.251 -9.682 -2.003 1.00 0.00 C ATOM 218 C THR A 22 11.555 -10.424 -1.749 1.00 0.00 C ATOM 219 O THR A 22 12.273 -10.782 -2.681 1.00 0.00 O ATOM 220 CB THR A 22 9.482 -10.342 -3.139 1.00 0.00 C ATOM 221 OG1 THR A 22 8.893 -9.368 -3.978 1.00 0.00 O ATOM 222 CG2 THR A 22 8.380 -11.262 -2.661 1.00 0.00 C ATOM 0 H THR A 22 11.077 -8.118 -3.114 1.00 0.00 H new ATOM 0 HA THR A 22 9.646 -9.733 -1.098 1.00 0.00 H new ATOM 0 HB THR A 22 10.220 -10.935 -3.680 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.405 -9.812 -4.703 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.872 -11.699 -3.521 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.809 -12.057 -2.050 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.664 -10.694 -2.067 1.00 0.00 H new ATOM 230 N ASN A 23 11.848 -10.652 -0.476 1.00 0.00 N ATOM 231 CA ASN A 23 13.061 -11.351 -0.077 1.00 0.00 C ATOM 232 C ASN A 23 13.138 -11.484 1.441 1.00 0.00 C ATOM 233 O ASN A 23 12.694 -10.600 2.174 1.00 0.00 O ATOM 234 CB ASN A 23 14.299 -10.618 -0.599 1.00 0.00 C ATOM 235 CG ASN A 23 15.477 -11.549 -0.806 1.00 0.00 C ATOM 236 OD1 ASN A 23 15.305 -12.741 -1.057 1.00 0.00 O ATOM 237 ND2 ASN A 23 16.685 -11.006 -0.699 1.00 0.00 N ATOM 0 H ASN A 23 11.257 -10.360 0.303 1.00 0.00 H new ATOM 0 HA ASN A 23 13.031 -12.350 -0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.057 -10.128 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.578 -9.834 0.105 1.00 0.00 H new ATOM 0 HD21 ASN A 23 17.517 -11.583 -0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.781 -10.012 -0.489 1.00 0.00 H new ATOM 244 N LYS A 24 13.702 -12.595 1.905 1.00 0.00 N ATOM 245 CA LYS A 24 13.838 -12.848 3.334 1.00 0.00 C ATOM 246 C LYS A 24 14.549 -11.692 4.033 1.00 0.00 C ATOM 247 O LYS A 24 14.991 -10.742 3.388 1.00 0.00 O ATOM 248 CB LYS A 24 14.604 -14.152 3.572 1.00 0.00 C ATOM 249 CG LYS A 24 14.052 -15.337 2.795 1.00 0.00 C ATOM 250 CD LYS A 24 12.564 -15.526 3.046 1.00 0.00 C ATOM 251 CE LYS A 24 12.071 -16.854 2.495 1.00 0.00 C ATOM 252 NZ LYS A 24 11.987 -16.842 1.008 1.00 0.00 N ATOM 0 H LYS A 24 14.073 -13.336 1.310 1.00 0.00 H new ATOM 0 HA LYS A 24 12.837 -12.939 3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.649 -14.004 3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.584 -14.386 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.226 -15.187 1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.588 -16.242 3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.366 -15.479 4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.009 -14.710 2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.742 -17.651 2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.089 -17.078 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.647 -17.766 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.327 -16.098 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.929 -16.654 0.609 1.00 0.00 H new ATOM 266 N GLY A 25 14.654 -11.781 5.356 1.00 0.00 N ATOM 267 CA GLY A 25 15.311 -10.737 6.120 1.00 0.00 C ATOM 268 C GLY A 25 14.521 -9.443 6.136 1.00 0.00 C ATOM 269 O GLY A 25 14.036 -8.991 5.099 1.00 0.00 O ATOM 0 H GLY A 25 14.296 -12.558 5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.460 -11.080 7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.299 -10.550 5.699 1.00 0.00 H new ATOM 273 N ARG A 26 14.390 -8.846 7.318 1.00 0.00 N ATOM 274 CA ARG A 26 13.653 -7.599 7.471 1.00 0.00 C ATOM 275 C ARG A 26 14.191 -6.522 6.533 1.00 0.00 C ATOM 276 O ARG A 26 15.106 -5.778 6.886 1.00 0.00 O ATOM 277 CB ARG A 26 13.727 -7.112 8.920 1.00 0.00 C ATOM 278 CG ARG A 26 15.120 -7.199 9.521 1.00 0.00 C ATOM 279 CD ARG A 26 15.269 -8.420 10.417 1.00 0.00 C ATOM 280 NE ARG A 26 16.495 -9.162 10.132 1.00 0.00 N ATOM 281 CZ ARG A 26 16.695 -10.429 10.490 1.00 0.00 C ATOM 282 NH1 ARG A 26 15.756 -11.097 11.148 1.00 0.00 N ATOM 283 NH2 ARG A 26 17.838 -11.029 10.190 1.00 0.00 N ATOM 0 H ARG A 26 14.787 -9.209 8.185 1.00 0.00 H new ATOM 0 HA ARG A 26 12.612 -7.792 7.210 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.385 -6.078 8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.041 -7.701 9.528 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.860 -7.241 8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.325 -6.297 10.097 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.270 -8.106 11.461 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.409 -9.076 10.282 1.00 0.00 H new ATOM 0 HE ARG A 26 17.241 -8.681 9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.875 -10.640 11.382 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.916 -12.067 11.419 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.564 -10.520 9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.992 -11.999 10.464 1.00 0.00 H new ATOM 297 N THR A 27 13.619 -6.448 5.335 1.00 0.00 N ATOM 298 CA THR A 27 14.043 -5.466 4.345 1.00 0.00 C ATOM 299 C THR A 27 13.695 -4.052 4.781 1.00 0.00 C ATOM 300 O THR A 27 12.852 -3.840 5.652 1.00 0.00 O ATOM 301 CB THR A 27 13.430 -5.750 2.970 1.00 0.00 C ATOM 302 OG1 THR A 27 13.296 -4.555 2.226 1.00 0.00 O ATOM 303 CG2 THR A 27 12.067 -6.411 3.022 1.00 0.00 C ATOM 0 H THR A 27 12.861 -7.057 5.027 1.00 0.00 H new ATOM 0 HA THR A 27 15.127 -5.550 4.264 1.00 0.00 H new ATOM 0 HB THR A 27 14.124 -6.444 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.035 -4.483 1.587 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.704 -6.577 2.008 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.146 -7.367 3.540 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.370 -5.765 3.555 1.00 0.00 H new ATOM 311 N LYS A 28 14.361 -3.089 4.159 1.00 0.00 N ATOM 312 CA LYS A 28 14.140 -1.680 4.463 1.00 0.00 C ATOM 313 C LYS A 28 13.359 -1.000 3.344 1.00 0.00 C ATOM 314 O LYS A 28 13.651 -1.189 2.163 1.00 0.00 O ATOM 315 CB LYS A 28 15.477 -0.968 4.675 1.00 0.00 C ATOM 316 CG LYS A 28 16.223 -1.433 5.914 1.00 0.00 C ATOM 317 CD LYS A 28 17.396 -0.519 6.234 1.00 0.00 C ATOM 318 CE LYS A 28 18.262 -1.094 7.343 1.00 0.00 C ATOM 319 NZ LYS A 28 17.693 -0.819 8.692 1.00 0.00 N ATOM 0 H LYS A 28 15.062 -3.258 3.438 1.00 0.00 H new ATOM 0 HA LYS A 28 13.554 -1.618 5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.107 -1.128 3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.300 0.105 4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.540 -1.460 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.584 -2.450 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.000 -0.372 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.024 0.461 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.362 -2.170 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 28 19.264 -0.669 7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.313 -1.227 9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.621 0.209 8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.747 -1.246 8.763 1.00 0.00 H new ATOM 333 N LEU A 29 12.359 -0.209 3.723 1.00 0.00 N ATOM 334 CA LEU A 29 11.534 0.497 2.757 1.00 0.00 C ATOM 335 C LEU A 29 12.228 1.755 2.247 1.00 0.00 C ATOM 336 O LEU A 29 13.186 2.237 2.853 1.00 0.00 O ATOM 337 CB LEU A 29 10.193 0.890 3.378 1.00 0.00 C ATOM 338 CG LEU A 29 9.554 -0.147 4.299 1.00 0.00 C ATOM 339 CD1 LEU A 29 8.471 0.506 5.146 1.00 0.00 C ATOM 340 CD2 LEU A 29 8.983 -1.301 3.488 1.00 0.00 C ATOM 0 H LEU A 29 12.103 -0.043 4.696 1.00 0.00 H new ATOM 0 HA LEU A 29 11.368 -0.181 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.333 1.812 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.493 1.112 2.573 1.00 0.00 H new ATOM 0 HG LEU A 29 10.320 -0.548 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.021 -0.241 5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.911 1.299 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.705 0.928 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.532 -2.030 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.225 -0.923 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.782 -1.777 2.920 1.00 0.00 H new ATOM 352 N PRO A 30 11.740 2.314 1.126 1.00 0.00 N ATOM 353 CA PRO A 30 12.304 3.533 0.537 1.00 0.00 C ATOM 354 C PRO A 30 12.383 4.671 1.552 1.00 0.00 C ATOM 355 O PRO A 30 11.901 4.544 2.677 1.00 0.00 O ATOM 356 CB PRO A 30 11.310 3.880 -0.576 1.00 0.00 C ATOM 357 CG PRO A 30 10.685 2.580 -0.936 1.00 0.00 C ATOM 358 CD PRO A 30 10.591 1.808 0.349 1.00 0.00 C ATOM 0 HA PRO A 30 13.325 3.387 0.184 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.564 4.597 -0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.814 4.329 -1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.699 2.728 -1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.287 2.046 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.646 1.990 0.861 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.660 0.733 0.180 1.00 0.00 H new ATOM 366 N PRO A 31 12.997 5.804 1.168 1.00 0.00 N ATOM 367 CA PRO A 31 13.137 6.966 2.053 1.00 0.00 C ATOM 368 C PRO A 31 11.788 7.528 2.492 1.00 0.00 C ATOM 369 O PRO A 31 11.126 8.240 1.737 1.00 0.00 O ATOM 370 CB PRO A 31 13.889 7.992 1.196 1.00 0.00 C ATOM 371 CG PRO A 31 14.524 7.198 0.105 1.00 0.00 C ATOM 372 CD PRO A 31 13.603 6.041 -0.152 1.00 0.00 C ATOM 0 HA PRO A 31 13.654 6.707 2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.209 8.742 0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.638 8.523 1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.653 7.802 -0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.514 6.851 0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.852 6.282 -0.904 1.00 0.00 H new ATOM 0 HD3 PRO A 31 14.144 5.166 -0.511 1.00 0.00 H new ATOM 380 N GLY A 32 11.389 7.207 3.720 1.00 0.00 N ATOM 381 CA GLY A 32 10.124 7.692 4.240 1.00 0.00 C ATOM 382 C GLY A 32 8.944 6.856 3.785 1.00 0.00 C ATOM 383 O GLY A 32 8.114 7.317 3.002 1.00 0.00 O ATOM 0 H GLY A 32 11.920 6.620 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.162 7.697 5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.977 8.724 3.922 1.00 0.00 H new ATOM 387 N VAL A 33 8.871 5.620 4.272 1.00 0.00 N ATOM 388 CA VAL A 33 7.799 4.717 3.915 1.00 0.00 C ATOM 389 C VAL A 33 7.130 4.124 5.135 1.00 0.00 C ATOM 390 O VAL A 33 7.733 3.984 6.199 1.00 0.00 O ATOM 391 CB VAL A 33 8.293 3.599 2.997 1.00 0.00 C ATOM 392 CG1 VAL A 33 7.201 2.574 2.730 1.00 0.00 C ATOM 393 CG2 VAL A 33 8.805 4.194 1.705 1.00 0.00 C ATOM 0 H VAL A 33 9.552 5.225 4.920 1.00 0.00 H new ATOM 0 HA VAL A 33 7.060 5.310 3.377 1.00 0.00 H new ATOM 0 HB VAL A 33 9.108 3.075 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.587 1.794 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.880 2.130 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.352 3.063 2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.157 3.396 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.000 4.739 1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.627 4.877 1.919 1.00 0.00 H new ATOM 403 N ASP A 34 5.863 3.801 4.962 1.00 0.00 N ATOM 404 CA ASP A 34 5.062 3.245 6.025 1.00 0.00 C ATOM 405 C ASP A 34 4.777 1.767 5.785 1.00 0.00 C ATOM 406 O ASP A 34 3.856 1.414 5.050 1.00 0.00 O ATOM 407 CB ASP A 34 3.760 4.031 6.102 1.00 0.00 C ATOM 408 CG ASP A 34 3.386 4.403 7.524 1.00 0.00 C ATOM 409 OD1 ASP A 34 3.845 5.463 8.001 1.00 0.00 O ATOM 410 OD2 ASP A 34 2.633 3.636 8.159 1.00 0.00 O ATOM 0 H ASP A 34 5.364 3.918 4.080 1.00 0.00 H new ATOM 0 HA ASP A 34 5.605 3.321 6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.852 4.939 5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.957 3.440 5.662 1.00 0.00 H new ATOM 415 N ARG A 35 5.569 0.907 6.416 1.00 0.00 N ATOM 416 CA ARG A 35 5.397 -0.534 6.278 1.00 0.00 C ATOM 417 C ARG A 35 3.960 -0.937 6.600 1.00 0.00 C ATOM 418 O ARG A 35 3.419 -1.876 6.017 1.00 0.00 O ATOM 419 CB ARG A 35 6.372 -1.277 7.196 1.00 0.00 C ATOM 420 CG ARG A 35 7.272 -2.258 6.460 1.00 0.00 C ATOM 421 CD ARG A 35 7.089 -3.681 6.969 1.00 0.00 C ATOM 422 NE ARG A 35 8.233 -4.130 7.759 1.00 0.00 N ATOM 423 CZ ARG A 35 8.498 -5.409 8.020 1.00 0.00 C ATOM 424 NH1 ARG A 35 7.703 -6.366 7.556 1.00 0.00 N ATOM 425 NH2 ARG A 35 9.559 -5.730 8.747 1.00 0.00 N ATOM 0 H ARG A 35 6.337 1.183 7.028 1.00 0.00 H new ATOM 0 HA ARG A 35 5.610 -0.807 5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.992 -0.549 7.719 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.805 -1.816 7.955 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.053 -2.222 5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.313 -1.959 6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.185 -3.736 7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.946 -4.353 6.123 1.00 0.00 H new ATOM 0 HE ARG A 35 8.866 -3.423 8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.885 -6.123 6.997 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.910 -7.344 7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.172 -4.998 9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.763 -6.709 8.947 1.00 0.00 H new ATOM 439 N MET A 36 3.349 -0.214 7.535 1.00 0.00 N ATOM 440 CA MET A 36 1.982 -0.481 7.941 1.00 0.00 C ATOM 441 C MET A 36 0.986 0.275 7.063 1.00 0.00 C ATOM 442 O MET A 36 -0.199 -0.057 7.028 1.00 0.00 O ATOM 443 CB MET A 36 1.780 -0.099 9.408 1.00 0.00 C ATOM 444 CG MET A 36 2.642 -0.904 10.370 1.00 0.00 C ATOM 445 SD MET A 36 3.584 0.138 11.502 1.00 0.00 S ATOM 446 CE MET A 36 5.051 0.459 10.526 1.00 0.00 C ATOM 0 H MET A 36 3.787 0.566 8.026 1.00 0.00 H new ATOM 0 HA MET A 36 1.800 -1.549 7.821 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.003 0.961 9.533 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.731 -0.237 9.670 1.00 0.00 H new ATOM 0 HG2 MET A 36 2.006 -1.576 10.946 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.330 -1.528 9.799 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.853 0.807 11.178 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.363 -0.458 10.025 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.832 1.223 9.780 1.00 0.00 H new ATOM 456 N ARG A 37 1.471 1.292 6.355 1.00 0.00 N ATOM 457 CA ARG A 37 0.619 2.091 5.480 1.00 0.00 C ATOM 458 C ARG A 37 1.313 2.354 4.148 1.00 0.00 C ATOM 459 O ARG A 37 1.682 3.487 3.838 1.00 0.00 O ATOM 460 CB ARG A 37 0.257 3.415 6.155 1.00 0.00 C ATOM 461 CG ARG A 37 -0.582 3.249 7.412 1.00 0.00 C ATOM 462 CD ARG A 37 -2.067 3.370 7.111 1.00 0.00 C ATOM 463 NE ARG A 37 -2.829 3.800 8.281 1.00 0.00 N ATOM 464 CZ ARG A 37 -3.086 3.018 9.327 1.00 0.00 C ATOM 465 NH1 ARG A 37 -2.644 1.767 9.354 1.00 0.00 N ATOM 466 NH2 ARG A 37 -3.787 3.489 10.349 1.00 0.00 N ATOM 0 H ARG A 37 2.449 1.582 6.370 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.297 1.531 5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.174 3.947 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.287 4.038 5.445 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.379 2.277 7.860 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.295 4.004 8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.216 4.082 6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.446 2.409 6.765 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.185 4.756 8.297 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.104 1.400 8.570 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.844 1.173 10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.129 4.450 10.333 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.984 2.890 11.151 1.00 0.00 H new ATOM 480 N LEU A 38 1.490 1.295 3.366 1.00 0.00 N ATOM 481 CA LEU A 38 2.141 1.394 2.070 1.00 0.00 C ATOM 482 C LEU A 38 1.190 1.951 1.022 1.00 0.00 C ATOM 483 O LEU A 38 1.607 2.584 0.050 1.00 0.00 O ATOM 484 CB LEU A 38 2.627 0.006 1.637 1.00 0.00 C ATOM 485 CG LEU A 38 4.141 -0.231 1.675 1.00 0.00 C ATOM 486 CD1 LEU A 38 4.905 1.048 1.383 1.00 0.00 C ATOM 487 CD2 LEU A 38 4.550 -0.801 3.024 1.00 0.00 C ATOM 0 H LEU A 38 1.188 0.352 3.612 1.00 0.00 H new ATOM 0 HA LEU A 38 2.988 2.074 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.149 -0.737 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.279 -0.176 0.620 1.00 0.00 H new ATOM 0 HG LEU A 38 4.391 -0.953 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.976 0.848 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.636 1.415 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.653 1.801 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.628 -0.965 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.279 -0.099 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.037 -1.748 3.189 1.00 0.00 H new ATOM 499 N GLU A 39 -0.086 1.701 1.232 1.00 0.00 N ATOM 500 CA GLU A 39 -1.131 2.160 0.319 1.00 0.00 C ATOM 501 C GLU A 39 -1.003 3.655 0.053 1.00 0.00 C ATOM 502 O GLU A 39 -1.428 4.148 -0.992 1.00 0.00 O ATOM 503 CB GLU A 39 -2.516 1.846 0.886 1.00 0.00 C ATOM 504 CG GLU A 39 -2.671 2.198 2.356 1.00 0.00 C ATOM 505 CD GLU A 39 -2.434 1.012 3.272 1.00 0.00 C ATOM 506 OE1 GLU A 39 -2.352 -0.126 2.761 1.00 0.00 O ATOM 507 OE2 GLU A 39 -2.332 1.221 4.498 1.00 0.00 O ATOM 0 H GLU A 39 -0.434 1.177 2.035 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.008 1.629 -0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.266 2.390 0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.721 0.784 0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.971 2.994 2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.674 2.589 2.528 1.00 0.00 H new ATOM 514 N ARG A 40 -0.412 4.370 1.004 1.00 0.00 N ATOM 515 CA ARG A 40 -0.225 5.805 0.873 1.00 0.00 C ATOM 516 C ARG A 40 0.848 6.138 -0.162 1.00 0.00 C ATOM 517 O ARG A 40 1.043 7.300 -0.516 1.00 0.00 O ATOM 518 CB ARG A 40 0.144 6.420 2.225 1.00 0.00 C ATOM 519 CG ARG A 40 -0.795 6.017 3.352 1.00 0.00 C ATOM 520 CD ARG A 40 -1.457 7.226 3.997 1.00 0.00 C ATOM 521 NE ARG A 40 -2.887 7.288 3.704 1.00 0.00 N ATOM 522 CZ ARG A 40 -3.760 8.003 4.413 1.00 0.00 C ATOM 523 NH1 ARG A 40 -3.353 8.719 5.453 1.00 0.00 N ATOM 524 NH2 ARG A 40 -5.043 8.002 4.078 1.00 0.00 N ATOM 0 H ARG A 40 -0.055 3.976 1.874 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.168 6.231 0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.160 6.123 2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.144 7.506 2.133 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.562 5.347 2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.239 5.461 4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.309 7.187 5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.974 8.136 3.642 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.238 6.752 2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.367 8.724 5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.026 9.264 5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.361 7.454 3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.712 8.549 4.620 1.00 0.00 H new ATOM 538 N HIS A 41 1.540 5.111 -0.643 1.00 0.00 N ATOM 539 CA HIS A 41 2.592 5.291 -1.638 1.00 0.00 C ATOM 540 C HIS A 41 2.085 4.951 -3.034 1.00 0.00 C ATOM 541 O HIS A 41 2.529 5.533 -4.023 1.00 0.00 O ATOM 542 CB HIS A 41 3.798 4.417 -1.298 1.00 0.00 C ATOM 543 CG HIS A 41 4.563 4.892 -0.104 1.00 0.00 C ATOM 544 ND1 HIS A 41 5.521 5.879 -0.165 1.00 0.00 N ATOM 545 CD2 HIS A 41 4.496 4.518 1.193 1.00 0.00 C ATOM 546 CE1 HIS A 41 6.008 6.090 1.045 1.00 0.00 C ATOM 547 NE2 HIS A 41 5.398 5.280 1.889 1.00 0.00 N ATOM 0 H HIS A 41 1.391 4.143 -0.359 1.00 0.00 H new ATOM 0 HA HIS A 41 2.893 6.338 -1.625 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.458 3.397 -1.119 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.467 4.384 -2.158 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.809 6.370 -1.011 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.850 3.758 1.606 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.776 6.805 1.300 1.00 0.00 H new ATOM 556 N LEU A 42 1.153 4.008 -3.109 1.00 0.00 N ATOM 557 CA LEU A 42 0.587 3.590 -4.371 1.00 0.00 C ATOM 558 C LEU A 42 -0.048 4.756 -5.101 1.00 0.00 C ATOM 559 O LEU A 42 -0.800 5.537 -4.517 1.00 0.00 O ATOM 560 CB LEU A 42 -0.478 2.531 -4.114 1.00 0.00 C ATOM 561 CG LEU A 42 -0.059 1.077 -4.325 1.00 0.00 C ATOM 562 CD1 LEU A 42 -1.287 0.254 -4.649 1.00 0.00 C ATOM 563 CD2 LEU A 42 0.966 0.950 -5.443 1.00 0.00 C ATOM 0 H LEU A 42 0.775 3.519 -2.298 1.00 0.00 H new ATOM 0 HA LEU A 42 1.389 3.188 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.826 2.640 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.329 2.738 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 42 0.406 0.711 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.998 -0.786 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.995 0.317 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.753 0.638 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.242 -0.097 -5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.538 1.324 -6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.853 1.532 -5.191 1.00 0.00 H new ATOM 575 N SER A 43 0.223 4.843 -6.394 1.00 0.00 N ATOM 576 CA SER A 43 -0.364 5.884 -7.207 1.00 0.00 C ATOM 577 C SER A 43 -1.820 5.556 -7.444 1.00 0.00 C ATOM 578 O SER A 43 -2.248 4.417 -7.258 1.00 0.00 O ATOM 579 CB SER A 43 0.352 6.019 -8.541 1.00 0.00 C ATOM 580 OG SER A 43 0.810 7.343 -8.752 1.00 0.00 O ATOM 0 H SER A 43 0.843 4.207 -6.896 1.00 0.00 H new ATOM 0 HA SER A 43 -0.267 6.833 -6.679 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.197 5.331 -8.573 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.323 5.733 -9.348 1.00 0.00 H new ATOM 0 HG SER A 43 1.755 7.325 -9.011 1.00 0.00 H new ATOM 586 N ALA A 44 -2.577 6.545 -7.859 1.00 0.00 N ATOM 587 CA ALA A 44 -3.989 6.340 -8.125 1.00 0.00 C ATOM 588 C ALA A 44 -4.172 5.297 -9.214 1.00 0.00 C ATOM 589 O ALA A 44 -5.129 4.520 -9.198 1.00 0.00 O ATOM 590 CB ALA A 44 -4.650 7.645 -8.523 1.00 0.00 C ATOM 0 H ALA A 44 -2.245 7.496 -8.020 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.466 5.979 -7.214 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.708 7.472 -8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.544 8.368 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.174 8.035 -9.423 1.00 0.00 H new ATOM 596 N GLU A 45 -3.233 5.277 -10.148 1.00 0.00 N ATOM 597 CA GLU A 45 -3.260 4.336 -11.236 1.00 0.00 C ATOM 598 C GLU A 45 -2.858 2.957 -10.739 1.00 0.00 C ATOM 599 O GLU A 45 -3.166 1.947 -11.370 1.00 0.00 O ATOM 600 CB GLU A 45 -2.321 4.785 -12.357 1.00 0.00 C ATOM 601 CG GLU A 45 -2.628 6.176 -12.887 1.00 0.00 C ATOM 602 CD GLU A 45 -1.546 6.698 -13.814 1.00 0.00 C ATOM 603 OE1 GLU A 45 -1.318 6.073 -14.870 1.00 0.00 O ATOM 604 OE2 GLU A 45 -0.928 7.731 -13.482 1.00 0.00 O ATOM 0 H GLU A 45 -2.437 5.914 -10.165 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.274 4.290 -11.632 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.295 4.763 -11.991 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.381 4.071 -13.178 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.579 6.157 -13.419 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.746 6.863 -12.049 1.00 0.00 H new ATOM 611 N ASP A 46 -2.166 2.918 -9.598 1.00 0.00 N ATOM 612 CA ASP A 46 -1.736 1.663 -9.036 1.00 0.00 C ATOM 613 C ASP A 46 -2.747 1.131 -8.045 1.00 0.00 C ATOM 614 O ASP A 46 -3.070 -0.047 -8.075 1.00 0.00 O ATOM 615 CB ASP A 46 -0.368 1.777 -8.361 1.00 0.00 C ATOM 616 CG ASP A 46 0.766 1.900 -9.360 1.00 0.00 C ATOM 617 OD1 ASP A 46 0.974 0.948 -10.141 1.00 0.00 O ATOM 618 OD2 ASP A 46 1.446 2.947 -9.360 1.00 0.00 O ATOM 0 H ASP A 46 -1.899 3.742 -9.058 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.650 0.964 -9.868 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.363 2.646 -7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.202 0.901 -7.734 1.00 0.00 H new ATOM 623 N PHE A 47 -3.259 1.990 -7.169 1.00 0.00 N ATOM 624 CA PHE A 47 -4.243 1.540 -6.202 1.00 0.00 C ATOM 625 C PHE A 47 -5.437 0.967 -6.933 1.00 0.00 C ATOM 626 O PHE A 47 -5.813 -0.191 -6.752 1.00 0.00 O ATOM 627 CB PHE A 47 -4.680 2.685 -5.293 1.00 0.00 C ATOM 628 CG PHE A 47 -5.740 2.276 -4.317 1.00 0.00 C ATOM 629 CD1 PHE A 47 -7.042 2.071 -4.741 1.00 0.00 C ATOM 630 CD2 PHE A 47 -5.433 2.084 -2.981 1.00 0.00 C ATOM 631 CE1 PHE A 47 -8.017 1.684 -3.852 1.00 0.00 C ATOM 632 CE2 PHE A 47 -6.407 1.697 -2.085 1.00 0.00 C ATOM 633 CZ PHE A 47 -7.702 1.495 -2.524 1.00 0.00 C ATOM 0 H PHE A 47 -3.014 2.978 -7.111 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.793 0.769 -5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.815 3.061 -4.747 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.052 3.507 -5.904 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.294 2.217 -5.781 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.421 2.239 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.029 1.528 -4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.159 1.552 -1.044 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.467 1.189 -1.826 1.00 0.00 H new ATOM 643 N SER A 48 -6.011 1.803 -7.763 1.00 0.00 N ATOM 644 CA SER A 48 -7.170 1.434 -8.564 1.00 0.00 C ATOM 645 C SER A 48 -6.920 0.152 -9.345 1.00 0.00 C ATOM 646 O SER A 48 -7.846 -0.611 -9.622 1.00 0.00 O ATOM 647 CB SER A 48 -7.543 2.568 -9.519 1.00 0.00 C ATOM 648 OG SER A 48 -8.293 3.570 -8.854 1.00 0.00 O ATOM 0 H SER A 48 -5.693 2.761 -7.908 1.00 0.00 H new ATOM 0 HA SER A 48 -8.001 1.257 -7.882 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.638 3.006 -9.939 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.121 2.170 -10.353 1.00 0.00 H new ATOM 0 HG SER A 48 -8.518 4.284 -9.486 1.00 0.00 H new ATOM 654 N ARG A 49 -5.668 -0.077 -9.696 1.00 0.00 N ATOM 655 CA ARG A 49 -5.291 -1.260 -10.442 1.00 0.00 C ATOM 656 C ARG A 49 -4.834 -2.383 -9.519 1.00 0.00 C ATOM 657 O ARG A 49 -4.793 -3.551 -9.905 1.00 0.00 O ATOM 658 CB ARG A 49 -4.189 -0.930 -11.447 1.00 0.00 C ATOM 659 CG ARG A 49 -4.708 -0.342 -12.750 1.00 0.00 C ATOM 660 CD ARG A 49 -3.717 -0.538 -13.887 1.00 0.00 C ATOM 661 NE ARG A 49 -3.273 0.735 -14.450 1.00 0.00 N ATOM 662 CZ ARG A 49 -3.984 1.449 -15.321 1.00 0.00 C ATOM 663 NH1 ARG A 49 -5.172 1.019 -15.730 1.00 0.00 N ATOM 664 NH2 ARG A 49 -3.507 2.596 -15.782 1.00 0.00 N ATOM 0 H ARG A 49 -4.892 0.546 -9.474 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.175 -1.603 -10.979 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.493 -0.225 -10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.626 -1.837 -11.667 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.657 -0.811 -13.009 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.904 0.722 -12.617 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.853 -1.095 -13.524 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.178 -1.140 -14.670 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.365 1.098 -14.159 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.545 0.138 -15.377 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.712 1.570 -16.397 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.596 2.932 -15.470 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.051 3.143 -16.449 1.00 0.00 H new ATOM 678 N VAL A 50 -4.468 -2.005 -8.309 1.00 0.00 N ATOM 679 CA VAL A 50 -3.983 -2.935 -7.313 1.00 0.00 C ATOM 680 C VAL A 50 -5.117 -3.533 -6.494 1.00 0.00 C ATOM 681 O VAL A 50 -5.156 -4.740 -6.253 1.00 0.00 O ATOM 682 CB VAL A 50 -2.989 -2.227 -6.371 1.00 0.00 C ATOM 683 CG1 VAL A 50 -2.870 -2.915 -5.018 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.632 -2.138 -7.032 1.00 0.00 C ATOM 0 H VAL A 50 -4.500 -1.037 -7.990 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.484 -3.747 -7.841 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.378 -1.226 -6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.157 -2.374 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.844 -2.926 -4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.524 -3.939 -5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.933 -1.637 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.268 -3.142 -7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.715 -1.571 -7.959 1.00 0.00 H new ATOM 694 N PHE A 51 -6.021 -2.677 -6.042 1.00 0.00 N ATOM 695 CA PHE A 51 -7.134 -3.115 -5.223 1.00 0.00 C ATOM 696 C PHE A 51 -8.439 -3.141 -6.014 1.00 0.00 C ATOM 697 O PHE A 51 -9.490 -3.500 -5.486 1.00 0.00 O ATOM 698 CB PHE A 51 -7.266 -2.203 -4.005 1.00 0.00 C ATOM 699 CG PHE A 51 -6.009 -2.133 -3.185 1.00 0.00 C ATOM 700 CD1 PHE A 51 -5.662 -3.178 -2.346 1.00 0.00 C ATOM 701 CD2 PHE A 51 -5.170 -1.029 -3.260 1.00 0.00 C ATOM 702 CE1 PHE A 51 -4.504 -3.126 -1.595 1.00 0.00 C ATOM 703 CE2 PHE A 51 -4.011 -0.971 -2.507 1.00 0.00 C ATOM 704 CZ PHE A 51 -3.678 -2.021 -1.673 1.00 0.00 C ATOM 0 H PHE A 51 -6.003 -1.675 -6.230 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.933 -4.134 -4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.533 -1.200 -4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.083 -2.560 -3.378 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.304 -4.044 -2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.425 -0.207 -3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.244 -3.949 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.367 -0.106 -2.571 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.774 -1.978 -1.083 1.00 0.00 H new ATOM 714 N ALA A 52 -8.358 -2.780 -7.289 1.00 0.00 N ATOM 715 CA ALA A 52 -9.518 -2.780 -8.159 1.00 0.00 C ATOM 716 C ALA A 52 -10.626 -1.872 -7.635 1.00 0.00 C ATOM 717 O ALA A 52 -11.810 -2.180 -7.769 1.00 0.00 O ATOM 718 CB ALA A 52 -10.000 -4.202 -8.319 1.00 0.00 C ATOM 0 H ALA A 52 -7.494 -2.483 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.233 -2.378 -9.131 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.873 -4.219 -8.971 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.207 -4.808 -8.758 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.268 -4.607 -7.343 1.00 0.00 H new ATOM 724 N MET A 53 -10.233 -0.738 -7.062 1.00 0.00 N ATOM 725 CA MET A 53 -11.185 0.231 -6.547 1.00 0.00 C ATOM 726 C MET A 53 -10.521 1.598 -6.426 1.00 0.00 C ATOM 727 O MET A 53 -9.298 1.697 -6.418 1.00 0.00 O ATOM 728 CB MET A 53 -11.779 -0.227 -5.209 1.00 0.00 C ATOM 729 CG MET A 53 -10.895 0.033 -4.003 1.00 0.00 C ATOM 730 SD MET A 53 -11.424 -0.891 -2.551 1.00 0.00 S ATOM 731 CE MET A 53 -10.510 -2.409 -2.786 1.00 0.00 C ATOM 0 H MET A 53 -9.256 -0.470 -6.944 1.00 0.00 H new ATOM 0 HA MET A 53 -12.014 0.312 -7.250 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.734 0.277 -5.059 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.988 -1.295 -5.266 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.867 -0.235 -4.246 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.902 1.099 -3.774 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.119 -3.254 -2.463 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.260 -2.524 -3.841 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.593 -2.377 -2.197 1.00 0.00 H new ATOM 741 N SER A 54 -11.321 2.653 -6.348 1.00 0.00 N ATOM 742 CA SER A 54 -10.780 3.998 -6.254 1.00 0.00 C ATOM 743 C SER A 54 -9.942 4.167 -5.002 1.00 0.00 C ATOM 744 O SER A 54 -10.114 3.451 -4.018 1.00 0.00 O ATOM 745 CB SER A 54 -11.910 5.028 -6.275 1.00 0.00 C ATOM 746 OG SER A 54 -12.934 4.683 -5.360 1.00 0.00 O ATOM 0 H SER A 54 -12.340 2.602 -6.348 1.00 0.00 H new ATOM 0 HA SER A 54 -10.135 4.161 -7.117 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.513 6.012 -6.027 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.325 5.096 -7.281 1.00 0.00 H new ATOM 0 HG SER A 54 -13.710 5.264 -5.504 1.00 0.00 H new ATOM 752 N PRO A 55 -9.022 5.133 -5.016 1.00 0.00 N ATOM 753 CA PRO A 55 -8.168 5.404 -3.866 1.00 0.00 C ATOM 754 C PRO A 55 -9.028 5.804 -2.681 1.00 0.00 C ATOM 755 O PRO A 55 -8.782 5.430 -1.530 1.00 0.00 O ATOM 756 CB PRO A 55 -7.279 6.561 -4.343 1.00 0.00 C ATOM 757 CG PRO A 55 -7.366 6.508 -5.833 1.00 0.00 C ATOM 758 CD PRO A 55 -8.754 6.048 -6.132 1.00 0.00 C ATOM 0 HA PRO A 55 -7.578 4.548 -3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.632 7.518 -3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.251 6.439 -4.001 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.173 7.486 -6.273 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.627 5.821 -6.246 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.461 6.877 -6.158 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.818 5.544 -7.096 1.00 0.00 H new ATOM 766 N GLU A 56 -10.070 6.544 -3.006 1.00 0.00 N ATOM 767 CA GLU A 56 -11.034 6.996 -2.049 1.00 0.00 C ATOM 768 C GLU A 56 -11.801 5.816 -1.495 1.00 0.00 C ATOM 769 O GLU A 56 -12.101 5.755 -0.304 1.00 0.00 O ATOM 770 CB GLU A 56 -12.004 7.954 -2.716 1.00 0.00 C ATOM 771 CG GLU A 56 -12.441 7.535 -4.109 1.00 0.00 C ATOM 772 CD GLU A 56 -11.711 8.290 -5.202 1.00 0.00 C ATOM 773 OE1 GLU A 56 -10.577 8.751 -4.950 1.00 0.00 O ATOM 774 OE2 GLU A 56 -12.271 8.420 -6.311 1.00 0.00 O ATOM 0 H GLU A 56 -10.265 6.847 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.516 7.505 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.888 8.054 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.541 8.939 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.268 6.466 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.514 7.699 -4.214 1.00 0.00 H new ATOM 781 N GLU A 57 -12.112 4.870 -2.381 1.00 0.00 N ATOM 782 CA GLU A 57 -12.833 3.678 -1.999 1.00 0.00 C ATOM 783 C GLU A 57 -12.244 3.137 -0.712 1.00 0.00 C ATOM 784 O GLU A 57 -12.951 2.690 0.187 1.00 0.00 O ATOM 785 CB GLU A 57 -12.761 2.641 -3.114 1.00 0.00 C ATOM 786 CG GLU A 57 -14.012 2.584 -3.976 1.00 0.00 C ATOM 787 CD GLU A 57 -14.833 1.333 -3.730 1.00 0.00 C ATOM 788 OE1 GLU A 57 -15.282 1.135 -2.582 1.00 0.00 O ATOM 789 OE2 GLU A 57 -15.026 0.553 -4.686 1.00 0.00 O ATOM 0 H GLU A 57 -11.870 4.916 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.884 3.916 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.903 2.862 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.588 1.659 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.626 3.462 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.727 2.626 -5.027 1.00 0.00 H new ATOM 796 N PHE A 58 -10.934 3.235 -0.643 1.00 0.00 N ATOM 797 CA PHE A 58 -10.175 2.816 0.517 1.00 0.00 C ATOM 798 C PHE A 58 -10.428 3.765 1.674 1.00 0.00 C ATOM 799 O PHE A 58 -10.697 3.341 2.798 1.00 0.00 O ATOM 800 CB PHE A 58 -8.680 2.795 0.198 1.00 0.00 C ATOM 801 CG PHE A 58 -8.000 1.532 0.633 1.00 0.00 C ATOM 802 CD1 PHE A 58 -8.544 0.302 0.322 1.00 0.00 C ATOM 803 CD2 PHE A 58 -6.825 1.575 1.362 1.00 0.00 C ATOM 804 CE1 PHE A 58 -7.932 -0.862 0.726 1.00 0.00 C ATOM 805 CE2 PHE A 58 -6.207 0.415 1.768 1.00 0.00 C ATOM 806 CZ PHE A 58 -6.762 -0.803 1.451 1.00 0.00 C ATOM 0 H PHE A 58 -10.360 3.611 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.495 1.811 0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.543 2.922 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.200 3.644 0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.462 0.253 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.388 2.530 1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.367 -1.818 0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.288 0.460 2.334 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.280 -1.715 1.771 1.00 0.00 H new ATOM 816 N GLY A 59 -10.341 5.061 1.386 1.00 0.00 N ATOM 817 CA GLY A 59 -10.566 6.059 2.413 1.00 0.00 C ATOM 818 C GLY A 59 -11.915 5.901 3.092 1.00 0.00 C ATOM 819 O GLY A 59 -12.120 6.396 4.201 1.00 0.00 O ATOM 0 H GLY A 59 -10.120 5.435 0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.776 5.990 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.500 7.053 1.970 1.00 0.00 H new ATOM 823 N LYS A 60 -12.841 5.222 2.419 1.00 0.00 N ATOM 824 CA LYS A 60 -14.173 5.013 2.951 1.00 0.00 C ATOM 825 C LYS A 60 -14.321 3.650 3.620 1.00 0.00 C ATOM 826 O LYS A 60 -15.120 3.481 4.540 1.00 0.00 O ATOM 827 CB LYS A 60 -15.220 5.172 1.846 1.00 0.00 C ATOM 828 CG LYS A 60 -15.899 6.533 1.845 1.00 0.00 C ATOM 829 CD LYS A 60 -15.962 7.127 0.446 1.00 0.00 C ATOM 830 CE LYS A 60 -14.723 7.950 0.135 1.00 0.00 C ATOM 831 NZ LYS A 60 -14.959 8.915 -0.975 1.00 0.00 N ATOM 0 H LYS A 60 -12.686 4.808 1.500 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.335 5.772 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.743 5.012 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.978 4.397 1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.908 6.437 2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.357 7.211 2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.062 6.326 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.849 7.754 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.415 8.493 1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.903 7.284 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.112 9.503 -1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.162 8.393 -1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.769 9.524 -0.739 1.00 0.00 H new ATOM 845 N LEU A 61 -13.554 2.688 3.145 1.00 0.00 N ATOM 846 CA LEU A 61 -13.595 1.331 3.680 1.00 0.00 C ATOM 847 C LEU A 61 -13.366 1.316 5.187 1.00 0.00 C ATOM 848 O LEU A 61 -13.284 2.364 5.827 1.00 0.00 O ATOM 849 CB LEU A 61 -12.534 0.466 3.003 1.00 0.00 C ATOM 850 CG LEU A 61 -12.859 0.026 1.578 1.00 0.00 C ATOM 851 CD1 LEU A 61 -11.586 -0.377 0.853 1.00 0.00 C ATOM 852 CD2 LEU A 61 -13.859 -1.119 1.586 1.00 0.00 C ATOM 0 H LEU A 61 -12.888 2.818 2.383 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.588 0.929 3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.594 1.018 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.372 -0.424 3.612 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.310 0.865 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.829 -0.689 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.903 0.472 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.112 -1.203 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.078 -1.418 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.439 -1.965 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.779 -0.796 2.074 1.00 0.00 H new ATOM 864 N ALA A 62 -13.247 0.113 5.739 1.00 0.00 N ATOM 865 CA ALA A 62 -13.006 -0.062 7.161 1.00 0.00 C ATOM 866 C ALA A 62 -11.537 -0.361 7.398 1.00 0.00 C ATOM 867 O ALA A 62 -10.719 -0.227 6.491 1.00 0.00 O ATOM 868 CB ALA A 62 -13.874 -1.187 7.709 1.00 0.00 C ATOM 0 H ALA A 62 -13.315 -0.760 5.216 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.268 0.858 7.683 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.683 -1.307 8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.925 -0.944 7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.636 -2.116 7.191 1.00 0.00 H new ATOM 874 N LEU A 63 -11.203 -0.778 8.609 1.00 0.00 N ATOM 875 CA LEU A 63 -9.823 -1.111 8.934 1.00 0.00 C ATOM 876 C LEU A 63 -9.554 -2.580 8.649 1.00 0.00 C ATOM 877 O LEU A 63 -8.416 -2.991 8.412 1.00 0.00 O ATOM 878 CB LEU A 63 -9.522 -0.788 10.401 1.00 0.00 C ATOM 879 CG LEU A 63 -8.477 0.305 10.620 1.00 0.00 C ATOM 880 CD1 LEU A 63 -7.159 -0.079 9.965 1.00 0.00 C ATOM 881 CD2 LEU A 63 -8.978 1.635 10.078 1.00 0.00 C ATOM 0 H LEU A 63 -11.862 -0.894 9.379 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.166 -0.508 8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.449 -0.486 10.889 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.183 -1.698 10.896 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.308 0.413 11.691 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.426 0.711 10.131 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.794 -1.010 10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.311 -0.214 8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.222 2.403 10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.175 1.542 9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.897 1.915 10.593 1.00 0.00 H new ATOM 893 N TRP A 64 -10.618 -3.359 8.677 1.00 0.00 N ATOM 894 CA TRP A 64 -10.544 -4.779 8.434 1.00 0.00 C ATOM 895 C TRP A 64 -10.524 -5.088 6.945 1.00 0.00 C ATOM 896 O TRP A 64 -9.598 -5.733 6.453 1.00 0.00 O ATOM 897 CB TRP A 64 -11.720 -5.487 9.112 1.00 0.00 C ATOM 898 CG TRP A 64 -13.052 -4.873 8.786 1.00 0.00 C ATOM 899 CD1 TRP A 64 -13.632 -3.789 9.380 1.00 0.00 C ATOM 900 CD2 TRP A 64 -13.969 -5.312 7.782 1.00 0.00 C ATOM 901 NE1 TRP A 64 -14.852 -3.533 8.799 1.00 0.00 N ATOM 902 CE2 TRP A 64 -15.081 -4.455 7.824 1.00 0.00 C ATOM 903 CE3 TRP A 64 -13.956 -6.346 6.854 1.00 0.00 C ATOM 904 CZ2 TRP A 64 -16.169 -4.602 6.974 1.00 0.00 C ATOM 905 CZ3 TRP A 64 -15.036 -6.495 6.006 1.00 0.00 C ATOM 906 CH2 TRP A 64 -16.132 -5.625 6.075 1.00 0.00 C ATOM 0 H TRP A 64 -11.560 -3.019 8.870 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.611 -5.148 8.860 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.727 -6.534 8.810 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.573 -5.467 10.192 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -13.197 -3.217 10.187 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -15.483 -2.775 9.057 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -13.116 -7.022 6.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -17.013 -3.930 7.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -15.036 -7.294 5.279 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -16.964 -5.768 5.402 1.00 0.00 H new ATOM 917 N LYS A 65 -11.538 -4.621 6.223 1.00 0.00 N ATOM 918 CA LYS A 65 -11.604 -4.855 4.792 1.00 0.00 C ATOM 919 C LYS A 65 -10.357 -4.296 4.130 1.00 0.00 C ATOM 920 O LYS A 65 -9.769 -4.925 3.251 1.00 0.00 O ATOM 921 CB LYS A 65 -12.873 -4.245 4.185 1.00 0.00 C ATOM 922 CG LYS A 65 -13.186 -2.840 4.657 1.00 0.00 C ATOM 923 CD LYS A 65 -14.690 -2.570 4.675 1.00 0.00 C ATOM 924 CE LYS A 65 -15.406 -3.215 3.495 1.00 0.00 C ATOM 925 NZ LYS A 65 -16.478 -2.337 2.949 1.00 0.00 N ATOM 0 H LYS A 65 -12.317 -4.084 6.605 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.649 -5.929 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.772 -4.235 3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.719 -4.890 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.778 -2.693 5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.695 -2.119 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.114 -2.948 5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.864 -1.494 4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.684 -3.437 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.839 -4.165 3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.406 -2.772 3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.437 -1.408 3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.340 -2.216 1.925 1.00 0.00 H new ATOM 939 N ARG A 66 -9.934 -3.125 4.591 1.00 0.00 N ATOM 940 CA ARG A 66 -8.736 -2.500 4.082 1.00 0.00 C ATOM 941 C ARG A 66 -7.538 -3.390 4.373 1.00 0.00 C ATOM 942 O ARG A 66 -6.657 -3.553 3.532 1.00 0.00 O ATOM 943 CB ARG A 66 -8.542 -1.142 4.742 1.00 0.00 C ATOM 944 CG ARG A 66 -9.081 0.021 3.923 1.00 0.00 C ATOM 945 CD ARG A 66 -8.367 1.322 4.257 1.00 0.00 C ATOM 946 NE ARG A 66 -6.929 1.128 4.405 1.00 0.00 N ATOM 947 CZ ARG A 66 -6.095 2.064 4.854 1.00 0.00 C ATOM 948 NH1 ARG A 66 -6.552 3.264 5.188 1.00 0.00 N ATOM 949 NH2 ARG A 66 -4.802 1.798 4.969 1.00 0.00 N ATOM 0 H ARG A 66 -10.410 -2.593 5.319 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.830 -2.361 3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.033 -1.148 5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.479 -0.985 4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.964 -0.196 2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.149 0.134 4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.556 2.053 3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.775 1.734 5.180 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.539 0.221 4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.547 3.473 5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.909 3.977 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.446 0.877 4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.163 2.514 5.313 1.00 0.00 H new ATOM 963 N ASN A 67 -7.514 -3.974 5.573 1.00 0.00 N ATOM 964 CA ASN A 67 -6.436 -4.848 5.963 1.00 0.00 C ATOM 965 C ASN A 67 -6.418 -6.092 5.080 1.00 0.00 C ATOM 966 O ASN A 67 -5.360 -6.522 4.621 1.00 0.00 O ATOM 967 CB ASN A 67 -6.596 -5.232 7.431 1.00 0.00 C ATOM 968 CG ASN A 67 -5.730 -4.392 8.349 1.00 0.00 C ATOM 969 OD1 ASN A 67 -4.704 -3.852 7.932 1.00 0.00 O ATOM 970 ND2 ASN A 67 -6.141 -4.275 9.607 1.00 0.00 N ATOM 0 H ASN A 67 -8.235 -3.849 6.283 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.487 -4.328 5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.641 -5.121 7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.340 -6.284 7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.600 -3.720 10.271 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.997 -4.740 9.909 1.00 0.00 H new ATOM 977 N GLU A 68 -7.597 -6.663 4.840 1.00 0.00 N ATOM 978 CA GLU A 68 -7.710 -7.846 4.008 1.00 0.00 C ATOM 979 C GLU A 68 -7.347 -7.531 2.563 1.00 0.00 C ATOM 980 O GLU A 68 -6.945 -8.410 1.800 1.00 0.00 O ATOM 981 CB GLU A 68 -9.124 -8.423 4.083 1.00 0.00 C ATOM 982 CG GLU A 68 -9.631 -8.610 5.504 1.00 0.00 C ATOM 983 CD GLU A 68 -10.188 -9.999 5.747 1.00 0.00 C ATOM 984 OE1 GLU A 68 -9.475 -10.984 5.464 1.00 0.00 O ATOM 985 OE2 GLU A 68 -11.340 -10.102 6.221 1.00 0.00 O ATOM 0 H GLU A 68 -8.483 -6.322 5.212 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.008 -8.590 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.806 -7.763 3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.143 -9.385 3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.817 -8.422 6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.405 -7.871 5.710 1.00 0.00 H new ATOM 992 N LEU A 69 -7.498 -6.268 2.202 1.00 0.00 N ATOM 993 CA LEU A 69 -7.195 -5.803 0.854 1.00 0.00 C ATOM 994 C LEU A 69 -5.732 -5.409 0.728 1.00 0.00 C ATOM 995 O LEU A 69 -5.018 -5.893 -0.148 1.00 0.00 O ATOM 996 CB LEU A 69 -8.092 -4.617 0.503 1.00 0.00 C ATOM 997 CG LEU A 69 -9.550 -4.990 0.262 1.00 0.00 C ATOM 998 CD1 LEU A 69 -10.417 -3.746 0.127 1.00 0.00 C ATOM 999 CD2 LEU A 69 -9.658 -5.867 -0.972 1.00 0.00 C ATOM 0 H LEU A 69 -7.832 -5.537 2.830 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.386 -6.619 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.044 -3.887 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.700 -4.130 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.916 -5.550 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.452 -4.041 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.354 -3.158 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.066 -3.148 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.702 -6.131 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.277 -5.326 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.073 -6.775 -0.825 1.00 0.00 H new ATOM 1011 N LYS A 70 -5.290 -4.527 1.613 1.00 0.00 N ATOM 1012 CA LYS A 70 -3.917 -4.065 1.616 1.00 0.00 C ATOM 1013 C LYS A 70 -2.952 -5.246 1.596 1.00 0.00 C ATOM 1014 O LYS A 70 -1.861 -5.160 1.034 1.00 0.00 O ATOM 1015 CB LYS A 70 -3.691 -3.165 2.835 1.00 0.00 C ATOM 1016 CG LYS A 70 -3.048 -3.855 4.028 1.00 0.00 C ATOM 1017 CD LYS A 70 -3.311 -3.088 5.316 1.00 0.00 C ATOM 1018 CE LYS A 70 -2.420 -1.861 5.428 1.00 0.00 C ATOM 1019 NZ LYS A 70 -3.132 -0.712 6.053 1.00 0.00 N ATOM 0 H LYS A 70 -5.872 -4.116 2.343 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.724 -3.482 0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.063 -2.325 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.650 -2.751 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.439 -4.868 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.974 -3.941 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.357 -2.783 5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.140 -3.742 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.538 -2.106 6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.070 -1.575 4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.736 0.179 5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.144 -0.761 5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.014 -0.751 7.086 1.00 0.00 H new ATOM 1033 N LYS A 71 -3.375 -6.354 2.192 1.00 0.00 N ATOM 1034 CA LYS A 71 -2.560 -7.552 2.216 1.00 0.00 C ATOM 1035 C LYS A 71 -2.494 -8.163 0.832 1.00 0.00 C ATOM 1036 O LYS A 71 -1.482 -8.743 0.438 1.00 0.00 O ATOM 1037 CB LYS A 71 -3.104 -8.563 3.229 1.00 0.00 C ATOM 1038 CG LYS A 71 -2.171 -8.812 4.402 1.00 0.00 C ATOM 1039 CD LYS A 71 -2.835 -9.663 5.473 1.00 0.00 C ATOM 1040 CE LYS A 71 -4.123 -9.027 5.975 1.00 0.00 C ATOM 1041 NZ LYS A 71 -4.282 -9.180 7.448 1.00 0.00 N ATOM 0 H LYS A 71 -4.276 -6.443 2.663 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.552 -7.278 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.062 -8.206 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.294 -9.508 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.267 -9.309 4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.864 -7.859 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.050 -10.653 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.147 -9.801 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.129 -7.968 5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.974 -9.483 5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.269 -9.424 7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.654 -9.936 7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.034 -8.286 7.919 1.00 0.00 H new ATOM 1055 N LYS A 72 -3.574 -8.002 0.090 1.00 0.00 N ATOM 1056 CA LYS A 72 -3.640 -8.506 -1.265 1.00 0.00 C ATOM 1057 C LYS A 72 -2.599 -7.804 -2.117 1.00 0.00 C ATOM 1058 O LYS A 72 -2.035 -8.381 -3.047 1.00 0.00 O ATOM 1059 CB LYS A 72 -5.041 -8.313 -1.852 1.00 0.00 C ATOM 1060 CG LYS A 72 -5.801 -9.616 -2.042 1.00 0.00 C ATOM 1061 CD LYS A 72 -7.179 -9.562 -1.400 1.00 0.00 C ATOM 1062 CE LYS A 72 -7.259 -10.454 -0.172 1.00 0.00 C ATOM 1063 NZ LYS A 72 -8.564 -10.315 0.532 1.00 0.00 N ATOM 0 H LYS A 72 -4.418 -7.525 0.406 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.431 -9.576 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.615 -7.659 -1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.957 -7.806 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.903 -9.826 -3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.230 -10.437 -1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.411 -8.534 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.931 -9.872 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.115 -11.493 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.449 -10.203 0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.812 -11.218 0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.490 -9.572 1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.303 -10.058 -0.154 1.00 0.00 H new ATOM 1077 N ALA A 73 -2.343 -6.553 -1.767 1.00 0.00 N ATOM 1078 CA ALA A 73 -1.364 -5.745 -2.459 1.00 0.00 C ATOM 1079 C ALA A 73 0.002 -5.832 -1.777 1.00 0.00 C ATOM 1080 O ALA A 73 0.999 -5.351 -2.313 1.00 0.00 O ATOM 1081 CB ALA A 73 -1.832 -4.300 -2.528 1.00 0.00 C ATOM 0 H ALA A 73 -2.809 -6.075 -0.996 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.258 -6.131 -3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.087 -3.701 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.780 -4.250 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.965 -3.912 -1.518 1.00 0.00 H new ATOM 1087 N SER A 74 0.046 -6.441 -0.588 1.00 0.00 N ATOM 1088 CA SER A 74 1.296 -6.574 0.157 1.00 0.00 C ATOM 1089 C SER A 74 1.702 -5.241 0.771 1.00 0.00 C ATOM 1090 O SER A 74 2.855 -5.046 1.156 1.00 0.00 O ATOM 1091 CB SER A 74 2.415 -7.095 -0.751 1.00 0.00 C ATOM 1092 OG SER A 74 1.892 -7.896 -1.796 1.00 0.00 O ATOM 0 H SER A 74 -0.767 -6.847 -0.125 1.00 0.00 H new ATOM 0 HA SER A 74 1.134 -7.293 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.966 -6.255 -1.174 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.124 -7.677 -0.162 1.00 0.00 H new ATOM 0 HG SER A 74 2.626 -8.215 -2.362 1.00 0.00 H new ATOM 1098 N LEU A 75 0.743 -4.326 0.864 1.00 0.00 N ATOM 1099 CA LEU A 75 0.990 -3.011 1.435 1.00 0.00 C ATOM 1100 C LEU A 75 0.666 -2.998 2.929 1.00 0.00 C ATOM 1101 O LEU A 75 0.596 -1.938 3.552 1.00 0.00 O ATOM 1102 CB LEU A 75 0.157 -1.959 0.696 1.00 0.00 C ATOM 1103 CG LEU A 75 0.287 -1.978 -0.829 1.00 0.00 C ATOM 1104 CD1 LEU A 75 -0.234 -0.682 -1.429 1.00 0.00 C ATOM 1105 CD2 LEU A 75 1.731 -2.213 -1.238 1.00 0.00 C ATOM 0 H LEU A 75 -0.216 -4.474 0.549 1.00 0.00 H new ATOM 0 HA LEU A 75 2.047 -2.773 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.892 -2.100 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.445 -0.972 1.057 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.318 -2.799 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.132 -0.716 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.284 -0.556 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.341 0.157 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.804 -2.223 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.357 -1.414 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.070 -3.170 -0.842 1.00 0.00 H new ATOM 1117 N PHE A 76 0.471 -4.188 3.496 1.00 0.00 N ATOM 1118 CA PHE A 76 0.156 -4.329 4.907 1.00 0.00 C ATOM 1119 C PHE A 76 1.403 -4.152 5.765 1.00 0.00 C ATOM 1120 O PHE A 76 1.320 -3.445 6.791 1.00 0.00 O ATOM 1121 CB PHE A 76 -0.476 -5.700 5.169 1.00 0.00 C ATOM 1122 CG PHE A 76 -1.272 -5.772 6.444 1.00 0.00 C ATOM 1123 CD1 PHE A 76 -0.675 -5.516 7.668 1.00 0.00 C ATOM 1124 CD2 PHE A 76 -2.619 -6.103 6.415 1.00 0.00 C ATOM 1125 CE1 PHE A 76 -1.407 -5.586 8.839 1.00 0.00 C ATOM 1126 CE2 PHE A 76 -3.353 -6.175 7.582 1.00 0.00 C ATOM 1127 CZ PHE A 76 -2.748 -5.917 8.795 1.00 0.00 C ATOM 1128 OXT PHE A 76 2.454 -4.722 5.404 1.00 0.00 O ATOM 0 H PHE A 76 0.528 -5.072 2.990 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.556 -3.550 5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.126 -5.955 4.332 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.312 -6.452 5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.373 -5.259 7.708 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.099 -6.307 5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.931 -5.382 9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.401 -6.433 7.546 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.321 -5.974 9.708 1.00 0.00 H new TER 1138 PHE A 76