USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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 Set 1.1: A 18 GLN : amide:sc= 1.19 K(o=2.4,f=0.66) USER MOD Set 1.2: A 50 TYR OH : rot -75:sc= 1.18 USER MOD Set 2.1: A 1 MET CE :methyl -164:sc= -0.739 (180deg=-0.137) USER MOD Set 2.2: A 3 HIS : no HE2:sc= -0.401 K(o=-1.1,f=-3.9) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -2.44 K(o=-2.4,f=-5!) USER MOD Single : A 5 TYR OH : rot -40:sc= -5.08! USER MOD Single : A 11 THR OG1 : rot 39:sc= -1.35 USER MOD Single : A 23 ASN : amide:sc= -1.26 K(o=-1.3,f=-2) USER MOD Single : A 26 TYR OH : rot 165:sc= 1.12 USER MOD Single : A 32 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.02) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 110:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -2.19! C(o=-2.2!,f=-1.2!) USER MOD Single : A 41 TYR OH : rot 50:sc= -0.407 USER MOD Single : A 47 HIS : no HD1:sc= -1.94! X(o=-1.9!,f=-1.6) USER MOD Single : A 49 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.38) USER MOD Single : A 54 THR OG1 : rot -49:sc= 0.769 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00247 USER MOD Single : A 66 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.061) USER MOD Single : A 69 HIS : no HD1:sc= -0.705 X(o=-0.71,f=-0.74) USER MOD Single : A 70 HIS : no HD1:sc= -5.37! C(o=-5.4!,f=-8.6!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 156:sc=-0.00392 (180deg=-0.247) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.160 -8.270 -11.600 1.00 0.00 N ATOM 2 CA MET A 1 -7.011 -7.706 -12.354 1.00 0.00 C ATOM 3 C MET A 1 -6.493 -6.430 -11.699 1.00 0.00 C ATOM 4 O MET A 1 -6.961 -5.331 -11.998 1.00 0.00 O ATOM 5 CB MET A 1 -7.463 -7.417 -13.787 1.00 0.00 C ATOM 6 CG MET A 1 -6.330 -7.000 -14.710 1.00 0.00 C ATOM 7 SD MET A 1 -6.921 -6.226 -16.228 1.00 0.00 S ATOM 8 CE MET A 1 -7.385 -4.607 -15.623 1.00 0.00 C ATOM 0 H1 MET A 1 -8.491 -9.137 -12.069 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.862 -8.494 -10.629 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.933 -7.574 -11.573 1.00 0.00 H new ATOM 0 HA MET A 1 -6.195 -8.429 -12.355 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.943 -8.307 -14.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.215 -6.628 -13.770 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.675 -6.306 -14.184 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.731 -7.875 -14.962 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.021 -4.113 -16.357 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.928 -4.711 -14.684 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.488 -4.009 -15.459 1.00 0.00 H new ATOM 20 N GLN A 2 -5.525 -6.583 -10.801 1.00 0.00 N ATOM 21 CA GLN A 2 -4.943 -5.444 -10.102 1.00 0.00 C ATOM 22 C GLN A 2 -4.314 -4.464 -11.087 1.00 0.00 C ATOM 23 O GLN A 2 -4.086 -4.798 -12.250 1.00 0.00 O ATOM 24 CB GLN A 2 -3.893 -5.917 -9.095 1.00 0.00 C ATOM 25 CG GLN A 2 -4.485 -6.606 -7.877 1.00 0.00 C ATOM 26 CD GLN A 2 -3.653 -7.786 -7.413 1.00 0.00 C ATOM 27 OE1 GLN A 2 -4.187 -8.834 -7.050 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.335 -7.620 -7.422 1.00 0.00 N ATOM 0 H GLN A 2 -5.127 -7.485 -10.541 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.743 -4.932 -9.568 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.208 -6.603 -9.593 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.304 -5.060 -8.767 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.573 -5.886 -7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.493 -6.947 -8.111 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.935 -6.734 -7.731 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.723 -8.378 -7.120 1.00 0.00 H new ATOM 37 N HIS A 3 -4.037 -3.253 -10.614 1.00 0.00 N ATOM 38 CA HIS A 3 -3.434 -2.225 -11.454 1.00 0.00 C ATOM 39 C HIS A 3 -2.226 -1.594 -10.761 1.00 0.00 C ATOM 40 O HIS A 3 -2.369 -0.931 -9.734 1.00 0.00 O ATOM 41 CB HIS A 3 -4.464 -1.144 -11.788 1.00 0.00 C ATOM 42 CG HIS A 3 -5.783 -1.693 -12.236 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.857 -1.859 -11.387 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.200 -2.115 -13.453 1.00 0.00 C ATOM 45 CE1 HIS A 3 -7.876 -2.360 -12.062 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.504 -2.524 -13.319 1.00 0.00 N ATOM 0 H HIS A 3 -4.220 -2.960 -9.654 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.096 -2.696 -12.377 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.620 -0.518 -10.909 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.063 -0.500 -12.571 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -6.864 -1.631 -10.393 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.615 -2.128 -14.361 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.848 -2.596 -11.655 1.00 0.00 H new ATOM 55 N PRO A 4 -1.013 -1.795 -11.310 1.00 0.00 N ATOM 56 CA PRO A 4 0.222 -1.244 -10.735 1.00 0.00 C ATOM 57 C PRO A 4 0.178 0.276 -10.606 1.00 0.00 C ATOM 58 O PRO A 4 -0.629 0.940 -11.257 1.00 0.00 O ATOM 59 CB PRO A 4 1.302 -1.650 -11.745 1.00 0.00 C ATOM 60 CG PRO A 4 0.732 -2.824 -12.460 1.00 0.00 C ATOM 61 CD PRO A 4 -0.747 -2.579 -12.531 1.00 0.00 C ATOM 0 HA PRO A 4 0.395 -1.617 -9.725 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.524 -0.836 -12.435 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.235 -1.907 -11.244 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.161 -2.921 -13.457 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.950 -3.750 -11.928 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.022 -2.030 -13.431 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.310 -3.512 -12.542 1.00 0.00 H new ATOM 69 N TYR A 5 1.061 0.822 -9.773 1.00 0.00 N ATOM 70 CA TYR A 5 1.130 2.266 -9.578 1.00 0.00 C ATOM 71 C TYR A 5 2.560 2.712 -9.343 1.00 0.00 C ATOM 72 O TYR A 5 3.004 3.712 -9.908 1.00 0.00 O ATOM 73 CB TYR A 5 0.252 2.717 -8.408 1.00 0.00 C ATOM 74 CG TYR A 5 -1.156 3.058 -8.827 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.067 2.061 -9.129 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.567 4.381 -8.935 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.353 2.367 -9.528 1.00 0.00 C ATOM 78 CE2 TYR A 5 -2.850 4.698 -9.335 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.741 3.686 -9.630 1.00 0.00 C ATOM 80 OH TYR A 5 -5.020 3.997 -10.028 1.00 0.00 O ATOM 0 H TYR A 5 1.735 0.288 -9.225 1.00 0.00 H new ATOM 0 HA TYR A 5 0.756 2.732 -10.490 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.221 1.927 -7.658 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.706 3.588 -7.935 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.767 1.026 -9.051 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.872 5.174 -8.702 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.052 1.577 -9.759 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.154 5.731 -9.416 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.295 3.391 -10.747 1.00 0.00 H new ATOM 90 N VAL A 6 3.286 1.967 -8.518 1.00 0.00 N ATOM 91 CA VAL A 6 4.669 2.306 -8.228 1.00 0.00 C ATOM 92 C VAL A 6 4.778 3.683 -7.580 1.00 0.00 C ATOM 93 O VAL A 6 4.234 4.665 -8.088 1.00 0.00 O ATOM 94 CB VAL A 6 5.508 2.291 -9.514 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.989 2.433 -9.198 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.239 1.021 -10.304 1.00 0.00 C ATOM 0 H VAL A 6 2.942 1.132 -8.043 1.00 0.00 H new ATOM 0 HA VAL A 6 5.048 1.557 -7.533 1.00 0.00 H new ATOM 0 HB VAL A 6 5.216 3.144 -10.126 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.562 2.420 -10.125 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.161 3.376 -8.679 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.307 1.606 -8.563 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.840 1.024 -11.213 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.501 0.153 -9.698 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.183 0.974 -10.568 1.00 0.00 H new ATOM 106 N GLY A 7 5.477 3.749 -6.456 1.00 0.00 N ATOM 107 CA GLY A 7 5.637 5.010 -5.756 1.00 0.00 C ATOM 108 C GLY A 7 5.947 4.817 -4.288 1.00 0.00 C ATOM 109 O GLY A 7 5.475 3.864 -3.674 1.00 0.00 O ATOM 0 H GLY A 7 5.937 2.952 -6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.439 5.582 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.725 5.598 -5.858 1.00 0.00 H new ATOM 113 N ILE A 8 6.733 5.723 -3.714 1.00 0.00 N ATOM 114 CA ILE A 8 7.078 5.627 -2.302 1.00 0.00 C ATOM 115 C ILE A 8 6.098 6.431 -1.467 1.00 0.00 C ATOM 116 O ILE A 8 6.209 7.648 -1.347 1.00 0.00 O ATOM 117 CB ILE A 8 8.524 6.086 -2.032 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.492 5.126 -2.738 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.797 6.156 -0.529 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.553 4.517 -1.842 1.00 0.00 C ATOM 0 H ILE A 8 7.139 6.523 -4.200 1.00 0.00 H new ATOM 0 HA ILE A 8 7.012 4.577 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 8 8.672 7.090 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.915 4.321 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.986 5.662 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.823 6.482 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.110 6.865 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.652 5.170 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.188 3.854 -2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.161 5.310 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.074 3.948 -1.045 1.00 0.00 H new ATOM 132 N TRP A 9 5.133 5.731 -0.900 1.00 0.00 N ATOM 133 CA TRP A 9 4.108 6.359 -0.082 1.00 0.00 C ATOM 134 C TRP A 9 4.525 6.379 1.382 1.00 0.00 C ATOM 135 O TRP A 9 4.507 5.353 2.062 1.00 0.00 O ATOM 136 CB TRP A 9 2.774 5.627 -0.266 1.00 0.00 C ATOM 137 CG TRP A 9 2.395 5.464 -1.714 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.986 4.640 -2.629 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.350 6.149 -2.414 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.377 4.771 -3.857 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.366 5.691 -3.749 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.399 7.106 -2.044 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.471 6.159 -4.706 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.489 7.568 -2.998 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.448 7.094 -4.316 1.00 0.00 C ATOM 0 H TRP A 9 5.036 4.720 -0.991 1.00 0.00 H new ATOM 0 HA TRP A 9 3.983 7.393 -0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.836 4.644 0.202 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.988 6.177 0.251 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.814 3.979 -2.419 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.635 4.267 -4.706 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.359 7.478 -1.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.501 5.796 -5.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.227 8.307 -2.723 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.156 7.474 -5.038 1.00 0.00 H new ATOM 156 N VAL A 10 4.915 7.559 1.854 1.00 0.00 N ATOM 157 CA VAL A 10 5.356 7.729 3.233 1.00 0.00 C ATOM 158 C VAL A 10 4.345 8.533 4.042 1.00 0.00 C ATOM 159 O VAL A 10 3.573 9.320 3.494 1.00 0.00 O ATOM 160 CB VAL A 10 6.732 8.429 3.292 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.119 8.767 4.724 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.799 7.559 2.644 1.00 0.00 C ATOM 0 H VAL A 10 4.934 8.414 1.299 1.00 0.00 H new ATOM 0 HA VAL A 10 5.443 6.733 3.668 1.00 0.00 H new ATOM 0 HB VAL A 10 6.656 9.364 2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.092 9.258 4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.372 9.434 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.171 7.851 5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.762 8.067 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.863 6.607 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.538 7.379 1.601 1.00 0.00 H new ATOM 172 N THR A 11 4.358 8.324 5.352 1.00 0.00 N ATOM 173 CA THR A 11 3.446 9.021 6.253 1.00 0.00 C ATOM 174 C THR A 11 3.764 10.512 6.322 1.00 0.00 C ATOM 175 O THR A 11 4.702 10.988 5.683 1.00 0.00 O ATOM 176 CB THR A 11 3.517 8.403 7.648 1.00 0.00 C ATOM 177 OG1 THR A 11 4.806 7.863 7.896 1.00 0.00 O ATOM 178 CG2 THR A 11 2.504 7.297 7.855 1.00 0.00 C ATOM 0 H THR A 11 4.993 7.675 5.817 1.00 0.00 H new ATOM 0 HA THR A 11 2.435 8.912 5.861 1.00 0.00 H new ATOM 0 HB THR A 11 3.296 9.215 8.340 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.488 8.456 7.516 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.603 6.897 8.864 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.498 7.695 7.719 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.680 6.502 7.131 1.00 0.00 H new ATOM 186 N ALA A 12 2.969 11.246 7.099 1.00 0.00 N ATOM 187 CA ALA A 12 3.159 12.687 7.250 1.00 0.00 C ATOM 188 C ALA A 12 4.294 13.005 8.221 1.00 0.00 C ATOM 189 O ALA A 12 4.844 14.105 8.202 1.00 0.00 O ATOM 190 CB ALA A 12 1.864 13.345 7.714 1.00 0.00 C ATOM 0 H ALA A 12 2.188 10.866 7.633 1.00 0.00 H new ATOM 0 HA ALA A 12 3.434 13.090 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.020 14.418 7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.080 13.165 6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.565 12.923 8.674 1.00 0.00 H new ATOM 196 N ASP A 13 4.640 12.040 9.069 1.00 0.00 N ATOM 197 CA ASP A 13 5.710 12.233 10.040 1.00 0.00 C ATOM 198 C ASP A 13 6.982 11.516 9.599 1.00 0.00 C ATOM 199 O ASP A 13 8.085 11.888 9.998 1.00 0.00 O ATOM 200 CB ASP A 13 5.273 11.727 11.418 1.00 0.00 C ATOM 201 CG ASP A 13 5.605 12.708 12.525 1.00 0.00 C ATOM 202 OD1 ASP A 13 5.038 13.821 12.523 1.00 0.00 O ATOM 203 OD2 ASP A 13 6.432 12.364 13.395 1.00 0.00 O ATOM 0 H ASP A 13 4.197 11.122 9.103 1.00 0.00 H new ATOM 0 HA ASP A 13 5.922 13.300 10.104 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.199 11.542 11.410 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.759 10.773 11.623 1.00 0.00 H new ATOM 208 N GLY A 14 6.820 10.483 8.778 1.00 0.00 N ATOM 209 CA GLY A 14 7.964 9.730 8.306 1.00 0.00 C ATOM 210 C GLY A 14 8.304 8.571 9.220 1.00 0.00 C ATOM 211 O GLY A 14 9.440 8.096 9.232 1.00 0.00 O ATOM 0 H GLY A 14 5.918 10.156 8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.760 9.352 7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.826 10.393 8.227 1.00 0.00 H new ATOM 215 N ARG A 15 7.316 8.107 9.980 1.00 0.00 N ATOM 216 CA ARG A 15 7.529 6.984 10.892 1.00 0.00 C ATOM 217 C ARG A 15 7.589 5.679 10.109 1.00 0.00 C ATOM 218 O ARG A 15 8.243 4.723 10.525 1.00 0.00 O ATOM 219 CB ARG A 15 6.438 6.898 11.978 1.00 0.00 C ATOM 220 CG ARG A 15 5.243 7.819 11.769 1.00 0.00 C ATOM 221 CD ARG A 15 4.386 7.363 10.601 1.00 0.00 C ATOM 222 NE ARG A 15 3.172 6.680 11.045 1.00 0.00 N ATOM 223 CZ ARG A 15 2.085 7.309 11.482 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.054 8.635 11.539 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.024 6.610 11.864 1.00 0.00 N ATOM 0 H ARG A 15 6.369 8.486 9.984 1.00 0.00 H new ATOM 0 HA ARG A 15 8.479 7.153 11.398 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.080 5.870 12.030 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.889 7.128 12.943 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.639 7.845 12.676 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.593 8.836 11.590 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.114 8.226 9.992 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.966 6.694 9.965 1.00 0.00 H new ATOM 0 HE ARG A 15 3.158 5.660 11.018 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.867 9.177 11.247 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.217 9.112 11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.043 5.591 11.822 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.190 7.092 12.199 1.00 0.00 H new ATOM 239 N ILE A 16 6.914 5.652 8.964 1.00 0.00 N ATOM 240 CA ILE A 16 6.904 4.469 8.113 1.00 0.00 C ATOM 241 C ILE A 16 6.956 4.866 6.643 1.00 0.00 C ATOM 242 O ILE A 16 6.568 5.973 6.274 1.00 0.00 O ATOM 243 CB ILE A 16 5.670 3.563 8.385 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.541 3.809 7.375 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.158 3.767 9.801 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.503 2.789 6.258 1.00 0.00 C ATOM 0 H ILE A 16 6.368 6.435 8.605 1.00 0.00 H new ATOM 0 HA ILE A 16 7.795 3.890 8.357 1.00 0.00 H new ATOM 0 HB ILE A 16 5.998 2.530 8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.585 3.799 7.899 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.658 4.804 6.945 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.294 3.124 9.972 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.945 3.515 10.512 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.867 4.809 9.936 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.682 3.022 5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.445 2.815 5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.355 1.794 6.678 1.00 0.00 H new ATOM 258 N ARG A 17 7.439 3.958 5.810 1.00 0.00 N ATOM 259 CA ARG A 17 7.544 4.213 4.382 1.00 0.00 C ATOM 260 C ARG A 17 7.116 2.983 3.586 1.00 0.00 C ATOM 261 O ARG A 17 7.632 1.887 3.798 1.00 0.00 O ATOM 262 CB ARG A 17 8.983 4.630 4.033 1.00 0.00 C ATOM 263 CG ARG A 17 9.567 3.953 2.801 1.00 0.00 C ATOM 264 CD ARG A 17 11.057 4.219 2.681 1.00 0.00 C ATOM 265 NE ARG A 17 11.840 3.342 3.550 1.00 0.00 N ATOM 266 CZ ARG A 17 13.142 3.111 3.391 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.810 3.688 2.401 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.778 2.302 4.227 1.00 0.00 N ATOM 0 H ARG A 17 7.765 3.036 6.099 1.00 0.00 H new ATOM 0 HA ARG A 17 6.874 5.030 4.114 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.006 5.709 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.625 4.414 4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.390 2.879 2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.057 4.315 1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.369 4.077 1.646 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.262 5.259 2.936 1.00 0.00 H new ATOM 0 HE ARG A 17 11.361 2.880 4.323 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.327 4.313 1.756 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.807 3.507 2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.270 1.857 4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.775 2.125 4.106 1.00 0.00 H new ATOM 282 N GLN A 18 6.172 3.172 2.670 1.00 0.00 N ATOM 283 CA GLN A 18 5.679 2.076 1.845 1.00 0.00 C ATOM 284 C GLN A 18 6.012 2.315 0.379 1.00 0.00 C ATOM 285 O GLN A 18 5.512 3.257 -0.236 1.00 0.00 O ATOM 286 CB GLN A 18 4.171 1.910 2.031 1.00 0.00 C ATOM 287 CG GLN A 18 3.622 0.627 1.428 1.00 0.00 C ATOM 288 CD GLN A 18 2.117 0.666 1.247 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.594 1.475 0.481 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.413 -0.212 1.953 1.00 0.00 N ATOM 0 H GLN A 18 5.734 4.073 2.481 1.00 0.00 H new ATOM 0 HA GLN A 18 6.172 1.157 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.940 1.929 3.096 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.662 2.761 1.579 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.096 0.452 0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.886 -0.214 2.070 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.889 -0.864 2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.396 -0.234 1.872 1.00 0.00 H new ATOM 299 N GLU A 19 6.867 1.460 -0.176 1.00 0.00 N ATOM 300 CA GLU A 19 7.271 1.590 -1.568 1.00 0.00 C ATOM 301 C GLU A 19 6.412 0.731 -2.475 1.00 0.00 C ATOM 302 O GLU A 19 6.293 -0.478 -2.277 1.00 0.00 O ATOM 303 CB GLU A 19 8.737 1.191 -1.747 1.00 0.00 C ATOM 304 CG GLU A 19 9.215 1.238 -3.190 1.00 0.00 C ATOM 305 CD GLU A 19 10.698 0.949 -3.321 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.234 0.194 -2.485 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.324 1.481 -4.263 1.00 0.00 O ATOM 0 H GLU A 19 7.291 0.674 0.317 1.00 0.00 H new ATOM 0 HA GLU A 19 7.141 2.637 -1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.360 1.854 -1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.879 0.182 -1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.654 0.513 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.002 2.222 -3.608 1.00 0.00 H new ATOM 314 N LEU A 20 5.854 1.356 -3.497 1.00 0.00 N ATOM 315 CA LEU A 20 5.052 0.636 -4.463 1.00 0.00 C ATOM 316 C LEU A 20 5.975 0.171 -5.579 1.00 0.00 C ATOM 317 O LEU A 20 6.574 0.976 -6.293 1.00 0.00 O ATOM 318 CB LEU A 20 3.897 1.499 -4.979 1.00 0.00 C ATOM 319 CG LEU A 20 2.746 1.695 -3.984 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.491 2.167 -4.695 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.461 0.417 -3.210 1.00 0.00 C ATOM 0 H LEU A 20 5.942 2.356 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 20 4.584 -0.233 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.289 2.477 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.500 1.045 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 20 3.054 2.462 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.689 2.299 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.690 3.116 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.192 1.425 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.640 0.589 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.186 -0.376 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.352 0.121 -2.656 1.00 0.00 H new ATOM 333 N LEU A 21 6.141 -1.135 -5.658 1.00 0.00 N ATOM 334 CA LEU A 21 7.049 -1.752 -6.609 1.00 0.00 C ATOM 335 C LEU A 21 6.619 -1.599 -8.059 1.00 0.00 C ATOM 336 O LEU A 21 5.442 -1.401 -8.358 1.00 0.00 O ATOM 337 CB LEU A 21 7.200 -3.230 -6.261 1.00 0.00 C ATOM 338 CG LEU A 21 8.474 -3.602 -5.485 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.144 -2.369 -4.883 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.142 -4.601 -4.393 1.00 0.00 C ATOM 0 H LEU A 21 5.649 -1.801 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 21 8.002 -1.230 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.335 -3.537 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.178 -3.807 -7.186 1.00 0.00 H new ATOM 0 HG LEU A 21 9.175 -4.052 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.041 -2.670 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.416 -1.677 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.454 -1.878 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.050 -4.859 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.419 -4.162 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.718 -5.501 -4.839 1.00 0.00 H new ATOM 352 N PRO A 22 7.598 -1.716 -8.980 1.00 0.00 N ATOM 353 CA PRO A 22 7.361 -1.615 -10.425 1.00 0.00 C ATOM 354 C PRO A 22 6.471 -2.741 -10.934 1.00 0.00 C ATOM 355 O PRO A 22 5.954 -2.685 -12.050 1.00 0.00 O ATOM 356 CB PRO A 22 8.766 -1.717 -11.038 1.00 0.00 C ATOM 357 CG PRO A 22 9.707 -1.461 -9.909 1.00 0.00 C ATOM 358 CD PRO A 22 9.017 -1.981 -8.684 1.00 0.00 C ATOM 0 HA PRO A 22 6.843 -0.693 -10.690 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.934 -2.701 -11.475 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.901 -0.987 -11.836 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.658 -1.969 -10.069 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.926 -0.397 -9.814 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.208 -3.043 -8.531 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.347 -1.465 -7.783 1.00 0.00 H new ATOM 366 N ASN A 23 6.286 -3.758 -10.096 1.00 0.00 N ATOM 367 CA ASN A 23 5.447 -4.896 -10.443 1.00 0.00 C ATOM 368 C ASN A 23 4.025 -4.678 -9.931 1.00 0.00 C ATOM 369 O ASN A 23 3.263 -5.629 -9.761 1.00 0.00 O ATOM 370 CB ASN A 23 6.033 -6.173 -9.831 1.00 0.00 C ATOM 371 CG ASN A 23 5.182 -7.406 -10.114 1.00 0.00 C ATOM 372 OD1 ASN A 23 4.495 -7.468 -11.134 1.00 0.00 O ATOM 373 ND2 ASN A 23 5.221 -8.398 -9.221 1.00 0.00 N ATOM 0 H ASN A 23 6.709 -3.815 -9.169 1.00 0.00 H new ATOM 0 HA ASN A 23 5.416 -4.998 -11.528 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.037 -6.332 -10.224 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.130 -6.043 -8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.670 -9.243 -9.373 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.802 -8.311 -8.387 1.00 0.00 H new ATOM 380 N GLY A 24 3.678 -3.422 -9.660 1.00 0.00 N ATOM 381 CA GLY A 24 2.361 -3.124 -9.142 1.00 0.00 C ATOM 382 C GLY A 24 2.165 -3.764 -7.790 1.00 0.00 C ATOM 383 O GLY A 24 1.177 -4.459 -7.555 1.00 0.00 O ATOM 0 H GLY A 24 4.284 -2.612 -9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.232 -2.045 -9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.601 -3.485 -9.835 1.00 0.00 H new ATOM 387 N ARG A 25 3.129 -3.541 -6.907 1.00 0.00 N ATOM 388 CA ARG A 25 3.084 -4.119 -5.569 1.00 0.00 C ATOM 389 C ARG A 25 3.561 -3.123 -4.529 1.00 0.00 C ATOM 390 O ARG A 25 3.882 -1.985 -4.858 1.00 0.00 O ATOM 391 CB ARG A 25 3.922 -5.392 -5.526 1.00 0.00 C ATOM 392 CG ARG A 25 3.523 -6.383 -6.600 1.00 0.00 C ATOM 393 CD ARG A 25 2.095 -6.872 -6.399 1.00 0.00 C ATOM 394 NE ARG A 25 1.440 -7.185 -7.666 1.00 0.00 N ATOM 395 CZ ARG A 25 1.713 -8.264 -8.396 1.00 0.00 C ATOM 396 NH1 ARG A 25 2.626 -9.136 -7.986 1.00 0.00 N ATOM 397 NH2 ARG A 25 1.070 -8.472 -9.537 1.00 0.00 N ATOM 0 H ARG A 25 3.951 -2.965 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 25 2.050 -4.371 -5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.974 -5.135 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.817 -5.860 -4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.615 -5.916 -7.581 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.206 -7.232 -6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.101 -7.759 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.521 -6.109 -5.873 1.00 0.00 H new ATOM 0 HE ARG A 25 0.731 -6.538 -8.012 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.122 -8.981 -7.108 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.832 -9.961 -8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.367 -7.805 -9.855 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.279 -9.299 -10.097 1.00 0.00 H new ATOM 411 N TYR A 26 3.567 -3.538 -3.268 1.00 0.00 N ATOM 412 CA TYR A 26 3.966 -2.642 -2.191 1.00 0.00 C ATOM 413 C TYR A 26 4.897 -3.303 -1.178 1.00 0.00 C ATOM 414 O TYR A 26 4.819 -4.503 -0.923 1.00 0.00 O ATOM 415 CB TYR A 26 2.710 -2.099 -1.505 1.00 0.00 C ATOM 416 CG TYR A 26 2.243 -2.892 -0.313 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.968 -2.899 0.866 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.068 -3.623 -0.370 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.537 -3.619 1.962 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.626 -4.345 0.717 1.00 0.00 C ATOM 421 CZ TYR A 26 1.364 -4.342 1.883 1.00 0.00 C ATOM 422 OH TYR A 26 0.927 -5.061 2.972 1.00 0.00 O ATOM 0 H TYR A 26 3.304 -4.477 -2.969 1.00 0.00 H new ATOM 0 HA TYR A 26 4.537 -1.824 -2.630 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.902 -1.074 -1.188 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.903 -2.061 -2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.885 -2.332 0.929 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.489 -3.627 -1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.114 -3.617 2.875 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.293 -4.910 0.657 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.013 -5.306 2.846 1.00 0.00 H new ATOM 432 N ASP A 27 5.760 -2.477 -0.593 1.00 0.00 N ATOM 433 CA ASP A 27 6.714 -2.913 0.420 1.00 0.00 C ATOM 434 C ASP A 27 6.913 -1.793 1.436 1.00 0.00 C ATOM 435 O ASP A 27 7.412 -0.721 1.091 1.00 0.00 O ATOM 436 CB ASP A 27 8.051 -3.274 -0.227 1.00 0.00 C ATOM 437 CG ASP A 27 8.345 -4.760 -0.163 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.860 -5.501 -1.043 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.061 -5.182 0.770 1.00 0.00 O ATOM 0 H ASP A 27 5.817 -1.482 -0.810 1.00 0.00 H new ATOM 0 HA ASP A 27 6.324 -3.799 0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.045 -2.953 -1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.851 -2.727 0.271 1.00 0.00 H new ATOM 444 N GLU A 28 6.504 -2.023 2.679 1.00 0.00 N ATOM 445 CA GLU A 28 6.629 -0.998 3.708 1.00 0.00 C ATOM 446 C GLU A 28 7.758 -1.301 4.689 1.00 0.00 C ATOM 447 O GLU A 28 7.870 -2.411 5.212 1.00 0.00 O ATOM 448 CB GLU A 28 5.284 -0.823 4.435 1.00 0.00 C ATOM 449 CG GLU A 28 5.394 -0.517 5.924 1.00 0.00 C ATOM 450 CD GLU A 28 4.070 -0.668 6.647 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.119 0.063 6.300 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.985 -1.515 7.560 1.00 0.00 O ATOM 0 H GLU A 28 6.088 -2.899 2.996 1.00 0.00 H new ATOM 0 HA GLU A 28 6.891 -0.059 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.730 -0.018 3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.698 -1.733 4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.129 -1.184 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.763 0.500 6.056 1.00 0.00 H new ATOM 459 N ALA A 29 8.577 -0.284 4.940 1.00 0.00 N ATOM 460 CA ALA A 29 9.693 -0.400 5.868 1.00 0.00 C ATOM 461 C ALA A 29 9.457 0.489 7.083 1.00 0.00 C ATOM 462 O ALA A 29 9.575 1.711 7.003 1.00 0.00 O ATOM 463 CB ALA A 29 10.995 -0.018 5.176 1.00 0.00 C ATOM 0 H ALA A 29 8.486 0.636 4.509 1.00 0.00 H new ATOM 0 HA ALA A 29 9.768 -1.435 6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.822 -0.109 5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.165 -0.682 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.931 1.011 4.823 1.00 0.00 H new ATOM 469 N ARG A 30 9.106 -0.131 8.202 1.00 0.00 N ATOM 470 CA ARG A 30 8.837 0.609 9.431 1.00 0.00 C ATOM 471 C ARG A 30 9.943 0.401 10.459 1.00 0.00 C ATOM 472 O ARG A 30 10.309 -0.731 10.773 1.00 0.00 O ATOM 473 CB ARG A 30 7.491 0.178 10.015 1.00 0.00 C ATOM 474 CG ARG A 30 6.398 0.019 8.970 1.00 0.00 C ATOM 475 CD ARG A 30 5.027 0.337 9.545 1.00 0.00 C ATOM 476 NE ARG A 30 4.439 -0.815 10.225 1.00 0.00 N ATOM 477 CZ ARG A 30 3.457 -0.725 11.120 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.949 0.459 11.442 1.00 0.00 N ATOM 479 NH2 ARG A 30 2.981 -1.821 11.694 1.00 0.00 N ATOM 0 H ARG A 30 9.001 -1.142 8.286 1.00 0.00 H new ATOM 0 HA ARG A 30 8.803 1.670 9.185 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.619 -0.768 10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.172 0.914 10.753 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.601 0.678 8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.405 -1.001 8.587 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.111 1.168 10.246 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.364 0.662 8.743 1.00 0.00 H new ATOM 0 HE ARG A 30 4.802 -1.742 10.001 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.311 1.306 11.003 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.197 0.522 12.128 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.367 -2.733 11.450 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.229 -1.752 12.380 1.00 0.00 H new ATOM 493 N GLY A 31 10.468 1.504 10.982 1.00 0.00 N ATOM 494 CA GLY A 31 11.524 1.428 11.974 1.00 0.00 C ATOM 495 C GLY A 31 12.731 0.653 11.482 1.00 0.00 C ATOM 496 O GLY A 31 13.037 0.659 10.289 1.00 0.00 O ATOM 0 H GLY A 31 10.180 2.451 10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.832 2.437 12.250 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.136 0.955 12.876 1.00 0.00 H new ATOM 500 N ASN A 32 13.416 -0.015 12.402 1.00 0.00 N ATOM 501 CA ASN A 32 14.596 -0.799 12.058 1.00 0.00 C ATOM 502 C ASN A 32 14.220 -2.007 11.203 1.00 0.00 C ATOM 503 O ASN A 32 15.042 -2.516 10.440 1.00 0.00 O ATOM 504 CB ASN A 32 15.313 -1.263 13.328 1.00 0.00 C ATOM 505 CG ASN A 32 16.778 -1.570 13.084 1.00 0.00 C ATOM 506 OD1 ASN A 32 17.256 -2.659 13.400 1.00 0.00 O ATOM 507 ND2 ASN A 32 17.498 -0.608 12.519 1.00 0.00 N ATOM 0 H ASN A 32 13.175 -0.030 13.393 1.00 0.00 H new ATOM 0 HA ASN A 32 15.267 -0.163 11.480 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.229 -0.491 14.093 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.818 -2.153 13.717 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.489 -0.757 12.330 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.060 0.280 12.274 1.00 0.00 H new ATOM 514 N ARG A 33 12.978 -2.462 11.335 1.00 0.00 N ATOM 515 CA ARG A 33 12.505 -3.611 10.572 1.00 0.00 C ATOM 516 C ARG A 33 11.903 -3.163 9.243 1.00 0.00 C ATOM 517 O ARG A 33 10.822 -2.573 9.208 1.00 0.00 O ATOM 518 CB ARG A 33 11.470 -4.406 11.400 1.00 0.00 C ATOM 519 CG ARG A 33 10.415 -5.165 10.590 1.00 0.00 C ATOM 520 CD ARG A 33 9.287 -5.656 11.483 1.00 0.00 C ATOM 521 NE ARG A 33 8.428 -4.563 11.931 1.00 0.00 N ATOM 522 CZ ARG A 33 7.485 -4.695 12.861 1.00 0.00 C ATOM 523 NH1 ARG A 33 7.277 -5.868 13.444 1.00 0.00 N ATOM 524 NH2 ARG A 33 6.748 -3.649 13.210 1.00 0.00 N ATOM 0 H ARG A 33 12.283 -2.054 11.961 1.00 0.00 H new ATOM 0 HA ARG A 33 13.353 -4.261 10.356 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.004 -5.120 12.026 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.959 -3.714 12.070 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.011 -4.515 9.814 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.879 -6.013 10.086 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.689 -6.389 10.941 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.707 -6.166 12.350 1.00 0.00 H new ATOM 0 HE ARG A 33 8.558 -3.645 11.506 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.841 -6.676 13.180 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.553 -5.962 14.156 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.904 -2.744 12.766 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.025 -3.749 13.923 1.00 0.00 H new ATOM 538 N LYS A 34 12.600 -3.454 8.152 1.00 0.00 N ATOM 539 CA LYS A 34 12.118 -3.087 6.826 1.00 0.00 C ATOM 540 C LYS A 34 11.293 -4.223 6.236 1.00 0.00 C ATOM 541 O LYS A 34 11.269 -5.327 6.781 1.00 0.00 O ATOM 542 CB LYS A 34 13.283 -2.742 5.899 1.00 0.00 C ATOM 543 CG LYS A 34 14.420 -3.748 5.946 1.00 0.00 C ATOM 544 CD LYS A 34 15.465 -3.353 6.974 1.00 0.00 C ATOM 545 CE LYS A 34 16.667 -2.690 6.320 1.00 0.00 C ATOM 546 NZ LYS A 34 17.509 -1.965 7.312 1.00 0.00 N ATOM 0 H LYS A 34 13.496 -3.941 8.158 1.00 0.00 H new ATOM 0 HA LYS A 34 11.487 -2.203 6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.913 -2.673 4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.669 -1.758 6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.025 -4.735 6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.884 -3.821 4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.023 -2.671 7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.790 -4.237 7.523 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.269 -3.446 5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.325 -1.993 5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.318 -1.527 6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.942 -1.226 7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.856 -2.635 8.028 1.00 0.00 H new ATOM 560 N SER A 35 10.612 -3.953 5.127 1.00 0.00 N ATOM 561 CA SER A 35 9.781 -4.964 4.480 1.00 0.00 C ATOM 562 C SER A 35 8.896 -5.671 5.504 1.00 0.00 C ATOM 563 O SER A 35 8.553 -6.841 5.339 1.00 0.00 O ATOM 564 CB SER A 35 10.657 -5.986 3.753 1.00 0.00 C ATOM 565 OG SER A 35 11.916 -5.430 3.414 1.00 0.00 O ATOM 0 H SER A 35 10.618 -3.047 4.659 1.00 0.00 H new ATOM 0 HA SER A 35 9.141 -4.465 3.753 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.801 -6.862 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.151 -6.326 2.849 1.00 0.00 H new ATOM 0 HG SER A 35 12.457 -6.104 2.952 1.00 0.00 H new ATOM 571 N ALA A 36 8.531 -4.949 6.564 1.00 0.00 N ATOM 572 CA ALA A 36 7.688 -5.506 7.617 1.00 0.00 C ATOM 573 C ALA A 36 6.447 -6.164 7.025 1.00 0.00 C ATOM 574 O ALA A 36 5.964 -7.178 7.529 1.00 0.00 O ATOM 575 CB ALA A 36 7.293 -4.412 8.598 1.00 0.00 C ATOM 0 H ALA A 36 8.807 -3.978 6.714 1.00 0.00 H new ATOM 0 HA ALA A 36 8.255 -6.270 8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.664 -4.835 9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.190 -3.983 9.045 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.742 -3.633 8.071 1.00 0.00 H new ATOM 581 N TYR A 37 5.947 -5.579 5.948 1.00 0.00 N ATOM 582 CA TYR A 37 4.768 -6.091 5.265 1.00 0.00 C ATOM 583 C TYR A 37 4.787 -5.719 3.787 1.00 0.00 C ATOM 584 O TYR A 37 5.162 -4.606 3.417 1.00 0.00 O ATOM 585 CB TYR A 37 3.495 -5.553 5.918 1.00 0.00 C ATOM 586 CG TYR A 37 2.643 -6.634 6.532 1.00 0.00 C ATOM 587 CD1 TYR A 37 3.002 -7.218 7.736 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.485 -7.073 5.903 1.00 0.00 C ATOM 589 CE1 TYR A 37 2.230 -8.217 8.302 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.705 -8.070 6.461 1.00 0.00 C ATOM 591 CZ TYR A 37 1.083 -8.639 7.660 1.00 0.00 C ATOM 592 OH TYR A 37 0.312 -9.632 8.220 1.00 0.00 O ATOM 0 H TYR A 37 6.344 -4.740 5.524 1.00 0.00 H new ATOM 0 HA TYR A 37 4.780 -7.178 5.349 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.766 -4.831 6.688 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.909 -5.017 5.171 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.898 -6.888 8.240 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.189 -6.629 4.964 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.523 -8.664 9.240 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.194 -8.401 5.962 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.532 -9.250 8.539 1.00 0.00 H new ATOM 602 N GLN A 38 4.369 -6.658 2.949 1.00 0.00 N ATOM 603 CA GLN A 38 4.321 -6.442 1.508 1.00 0.00 C ATOM 604 C GLN A 38 3.223 -7.296 0.892 1.00 0.00 C ATOM 605 O GLN A 38 2.913 -8.375 1.397 1.00 0.00 O ATOM 606 CB GLN A 38 5.664 -6.776 0.847 1.00 0.00 C ATOM 607 CG GLN A 38 6.799 -7.044 1.826 1.00 0.00 C ATOM 608 CD GLN A 38 6.616 -8.340 2.591 1.00 0.00 C ATOM 609 OE1 GLN A 38 6.479 -9.410 1.997 1.00 0.00 O ATOM 610 NE2 GLN A 38 6.614 -8.252 3.916 1.00 0.00 N ATOM 0 H GLN A 38 4.056 -7.583 3.244 1.00 0.00 H new ATOM 0 HA GLN A 38 4.108 -5.387 1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.534 -7.652 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.950 -5.950 0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.743 -7.078 1.282 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.868 -6.216 2.532 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.731 -7.345 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.496 -9.092 4.483 1.00 0.00 H new ATOM 619 N GLY A 39 2.634 -6.817 -0.196 1.00 0.00 N ATOM 620 CA GLY A 39 1.578 -7.575 -0.837 1.00 0.00 C ATOM 621 C GLY A 39 1.205 -7.033 -2.198 1.00 0.00 C ATOM 622 O GLY A 39 2.055 -6.903 -3.079 1.00 0.00 O ATOM 0 H GLY A 39 2.865 -5.929 -0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.894 -8.613 -0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.696 -7.572 -0.197 1.00 0.00 H new ATOM 626 N ARG A 40 -0.071 -6.716 -2.368 1.00 0.00 N ATOM 627 CA ARG A 40 -0.565 -6.185 -3.624 1.00 0.00 C ATOM 628 C ARG A 40 -1.804 -5.347 -3.371 1.00 0.00 C ATOM 629 O ARG A 40 -2.406 -5.428 -2.300 1.00 0.00 O ATOM 630 CB ARG A 40 -0.876 -7.321 -4.600 1.00 0.00 C ATOM 631 CG ARG A 40 -2.070 -8.173 -4.194 1.00 0.00 C ATOM 632 CD ARG A 40 -1.634 -9.520 -3.641 1.00 0.00 C ATOM 633 NE ARG A 40 -0.807 -10.260 -4.590 1.00 0.00 N ATOM 634 CZ ARG A 40 -1.294 -10.938 -5.627 1.00 0.00 C ATOM 635 NH1 ARG A 40 -2.601 -10.972 -5.851 1.00 0.00 N ATOM 636 NH2 ARG A 40 -0.471 -11.583 -6.442 1.00 0.00 N ATOM 0 H ARG A 40 -0.784 -6.819 -1.646 1.00 0.00 H new ATOM 0 HA ARG A 40 0.204 -5.555 -4.071 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.063 -6.898 -5.587 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.002 -7.961 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.657 -7.644 -3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.719 -8.326 -5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.077 -9.369 -2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.515 -10.111 -3.390 1.00 0.00 H new ATOM 0 HE ARG A 40 0.203 -10.257 -4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.238 -10.477 -5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.969 -11.493 -6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.535 -11.560 -6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.844 -12.103 -7.237 1.00 0.00 H new ATOM 650 N TYR A 41 -2.182 -4.538 -4.344 1.00 0.00 N ATOM 651 CA TYR A 41 -3.348 -3.691 -4.190 1.00 0.00 C ATOM 652 C TYR A 41 -4.194 -3.651 -5.450 1.00 0.00 C ATOM 653 O TYR A 41 -3.702 -3.850 -6.560 1.00 0.00 O ATOM 654 CB TYR A 41 -2.926 -2.272 -3.822 1.00 0.00 C ATOM 655 CG TYR A 41 -1.730 -1.778 -4.599 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.441 -2.058 -4.171 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.890 -1.035 -5.763 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.655 -1.610 -4.879 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.797 -0.585 -6.477 1.00 0.00 C ATOM 660 CZ TYR A 41 0.473 -0.875 -6.031 1.00 0.00 C ATOM 661 OH TYR A 41 1.566 -0.428 -6.737 1.00 0.00 O ATOM 0 H TYR A 41 -1.703 -4.450 -5.240 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.951 -4.120 -3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.764 -1.597 -3.993 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.698 -2.234 -2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.293 -2.635 -3.270 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.885 -0.806 -6.115 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.653 -1.834 -4.532 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.937 -0.009 -7.380 1.00 0.00 H new ATOM 0 HH TYR A 41 2.185 -1.173 -6.887 1.00 0.00 H new ATOM 671 N GLU A 42 -5.471 -3.358 -5.256 1.00 0.00 N ATOM 672 CA GLU A 42 -6.411 -3.247 -6.361 1.00 0.00 C ATOM 673 C GLU A 42 -6.992 -1.841 -6.380 1.00 0.00 C ATOM 674 O GLU A 42 -7.479 -1.354 -5.364 1.00 0.00 O ATOM 675 CB GLU A 42 -7.530 -4.285 -6.221 1.00 0.00 C ATOM 676 CG GLU A 42 -7.739 -5.123 -7.471 1.00 0.00 C ATOM 677 CD GLU A 42 -8.441 -6.434 -7.181 1.00 0.00 C ATOM 678 OE1 GLU A 42 -9.300 -6.461 -6.274 1.00 0.00 O ATOM 679 OE2 GLU A 42 -8.134 -7.437 -7.861 1.00 0.00 O ATOM 0 H GLU A 42 -5.882 -3.192 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.890 -3.438 -7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.300 -4.945 -5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.461 -3.773 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.324 -4.553 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.773 -5.326 -7.934 1.00 0.00 H new ATOM 686 N VAL A 43 -6.916 -1.180 -7.527 1.00 0.00 N ATOM 687 CA VAL A 43 -7.414 0.185 -7.651 1.00 0.00 C ATOM 688 C VAL A 43 -8.744 0.242 -8.398 1.00 0.00 C ATOM 689 O VAL A 43 -8.875 -0.284 -9.503 1.00 0.00 O ATOM 690 CB VAL A 43 -6.375 1.083 -8.358 1.00 0.00 C ATOM 691 CG1 VAL A 43 -6.955 2.454 -8.681 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.125 1.216 -7.499 1.00 0.00 C ATOM 0 H VAL A 43 -6.516 -1.564 -8.383 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.582 0.557 -6.640 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.104 0.610 -9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.198 3.061 -9.178 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.817 2.339 -9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.265 2.944 -7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.400 1.851 -8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.388 1.662 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.691 0.230 -7.334 1.00 0.00 H new ATOM 702 N ARG A 44 -9.725 0.890 -7.776 1.00 0.00 N ATOM 703 CA ARG A 44 -11.052 1.033 -8.365 1.00 0.00 C ATOM 704 C ARG A 44 -11.580 2.450 -8.163 1.00 0.00 C ATOM 705 O ARG A 44 -12.202 2.749 -7.144 1.00 0.00 O ATOM 706 CB ARG A 44 -12.018 0.028 -7.738 1.00 0.00 C ATOM 707 CG ARG A 44 -13.060 -0.502 -8.710 1.00 0.00 C ATOM 708 CD ARG A 44 -13.654 -1.815 -8.226 1.00 0.00 C ATOM 709 NE ARG A 44 -13.937 -2.728 -9.331 1.00 0.00 N ATOM 710 CZ ARG A 44 -13.012 -3.466 -9.940 1.00 0.00 C ATOM 711 NH1 ARG A 44 -11.742 -3.403 -9.555 1.00 0.00 N ATOM 712 NH2 ARG A 44 -13.355 -4.271 -10.936 1.00 0.00 N ATOM 0 H ARG A 44 -9.624 1.326 -6.860 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.975 0.837 -9.434 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.448 -0.810 -7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.525 0.500 -6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.854 0.235 -8.832 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.605 -0.646 -9.690 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.963 -2.291 -7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.574 -1.616 -7.676 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.901 -2.804 -9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.471 -2.787 -8.789 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.038 -3.971 -10.026 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.328 -4.325 -11.236 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.645 -4.836 -11.402 1.00 0.00 H new ATOM 726 N GLY A 45 -11.326 3.320 -9.136 1.00 0.00 N ATOM 727 CA GLY A 45 -11.785 4.695 -9.035 1.00 0.00 C ATOM 728 C GLY A 45 -11.150 5.425 -7.868 1.00 0.00 C ATOM 729 O GLY A 45 -11.828 6.145 -7.135 1.00 0.00 O ATOM 0 H GLY A 45 -10.813 3.099 -9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.554 5.222 -9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.869 4.707 -8.923 1.00 0.00 H new ATOM 733 N ALA A 46 -9.841 5.230 -7.692 1.00 0.00 N ATOM 734 CA ALA A 46 -9.090 5.862 -6.604 1.00 0.00 C ATOM 735 C ALA A 46 -9.204 5.064 -5.305 1.00 0.00 C ATOM 736 O ALA A 46 -8.472 5.320 -4.350 1.00 0.00 O ATOM 737 CB ALA A 46 -9.536 7.302 -6.389 1.00 0.00 C ATOM 0 H ALA A 46 -9.275 4.634 -8.295 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.041 5.871 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.960 7.744 -5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.371 7.874 -7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.596 7.321 -6.135 1.00 0.00 H new ATOM 743 N HIS A 47 -10.110 4.089 -5.275 1.00 0.00 N ATOM 744 CA HIS A 47 -10.290 3.254 -4.095 1.00 0.00 C ATOM 745 C HIS A 47 -9.447 1.996 -4.231 1.00 0.00 C ATOM 746 O HIS A 47 -9.527 1.300 -5.243 1.00 0.00 O ATOM 747 CB HIS A 47 -11.765 2.882 -3.925 1.00 0.00 C ATOM 748 CG HIS A 47 -12.384 3.433 -2.678 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.429 4.782 -2.390 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.990 2.808 -1.640 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.035 4.961 -1.229 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.386 3.780 -0.755 1.00 0.00 N ATOM 0 H HIS A 47 -10.728 3.860 -6.053 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.971 3.810 -3.213 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.324 3.244 -4.788 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.858 1.796 -3.917 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.135 1.743 -1.529 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.213 5.912 -0.749 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.873 3.616 0.126 1.00 0.00 H new ATOM 761 N ILE A 48 -8.623 1.707 -3.231 1.00 0.00 N ATOM 762 CA ILE A 48 -7.767 0.531 -3.299 1.00 0.00 C ATOM 763 C ILE A 48 -7.610 -0.148 -1.943 1.00 0.00 C ATOM 764 O ILE A 48 -7.692 0.491 -0.896 1.00 0.00 O ATOM 765 CB ILE A 48 -6.368 0.881 -3.891 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.217 0.261 -3.076 1.00 0.00 C ATOM 767 CG2 ILE A 48 -6.184 2.390 -3.998 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.931 0.972 -1.767 1.00 0.00 C ATOM 0 H ILE A 48 -8.530 2.260 -2.379 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.262 -0.174 -3.967 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.333 0.448 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.456 -0.782 -2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.312 0.265 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.200 2.608 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.953 2.805 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.267 2.838 -3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.108 0.474 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.659 2.008 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.820 0.946 -1.137 1.00 0.00 H new ATOM 780 N ASN A 49 -7.359 -1.452 -1.990 1.00 0.00 N ATOM 781 CA ASN A 49 -7.157 -2.245 -0.787 1.00 0.00 C ATOM 782 C ASN A 49 -5.931 -3.134 -0.953 1.00 0.00 C ATOM 783 O ASN A 49 -5.604 -3.558 -2.061 1.00 0.00 O ATOM 784 CB ASN A 49 -8.389 -3.103 -0.475 1.00 0.00 C ATOM 785 CG ASN A 49 -9.665 -2.551 -1.085 1.00 0.00 C ATOM 786 OD1 ASN A 49 -10.344 -3.231 -1.855 1.00 0.00 O ATOM 787 ND2 ASN A 49 -9.997 -1.313 -0.742 1.00 0.00 N ATOM 0 H ASN A 49 -7.291 -1.984 -2.857 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.000 -1.563 0.048 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.224 -4.115 -0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.511 -3.175 0.606 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.844 -0.889 -1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.405 -0.785 -0.101 1.00 0.00 H new ATOM 794 N TYR A 50 -5.257 -3.413 0.153 1.00 0.00 N ATOM 795 CA TYR A 50 -4.068 -4.247 0.144 1.00 0.00 C ATOM 796 C TYR A 50 -4.415 -5.652 0.604 1.00 0.00 C ATOM 797 O TYR A 50 -4.799 -5.848 1.752 1.00 0.00 O ATOM 798 CB TYR A 50 -3.015 -3.665 1.091 1.00 0.00 C ATOM 799 CG TYR A 50 -2.368 -2.385 0.607 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.628 -2.355 -0.568 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.494 -1.206 1.334 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.032 -1.187 -1.005 1.00 0.00 C ATOM 803 CE2 TYR A 50 -1.901 -0.035 0.902 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.172 -0.030 -0.267 1.00 0.00 C ATOM 805 OH TYR A 50 -0.580 1.134 -0.699 1.00 0.00 O ATOM 0 H TYR A 50 -5.519 -3.069 1.077 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.674 -4.279 -0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.480 -3.478 2.059 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.237 -4.412 1.251 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.517 -3.258 -1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.065 -1.206 2.251 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.459 -1.180 -1.920 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.009 0.872 1.478 1.00 0.00 H new ATOM 0 HH TYR A 50 0.386 1.090 -0.537 1.00 0.00 H new ATOM 815 N TRP A 51 -4.273 -6.629 -0.280 1.00 0.00 N ATOM 816 CA TRP A 51 -4.569 -8.007 0.079 1.00 0.00 C ATOM 817 C TRP A 51 -3.278 -8.812 0.172 1.00 0.00 C ATOM 818 O TRP A 51 -2.810 -9.377 -0.818 1.00 0.00 O ATOM 819 CB TRP A 51 -5.529 -8.638 -0.934 1.00 0.00 C ATOM 820 CG TRP A 51 -5.709 -10.116 -0.753 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.236 -10.750 0.336 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.361 -11.144 -1.687 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.237 -12.109 0.136 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.705 -12.376 -1.099 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.792 -11.143 -2.963 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.499 -13.592 -1.744 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.589 -12.351 -3.603 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.941 -13.561 -2.993 1.00 0.00 C ATOM 0 H TRP A 51 -3.958 -6.495 -1.241 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.057 -8.015 1.054 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.500 -8.150 -0.854 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.158 -8.447 -1.941 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -6.599 -10.255 1.225 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.578 -12.806 0.798 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.516 -10.215 -3.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.770 -14.527 -1.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.151 -12.362 -4.590 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.769 -14.489 -3.519 1.00 0.00 H new ATOM 839 N ASP A 52 -2.699 -8.844 1.367 1.00 0.00 N ATOM 840 CA ASP A 52 -1.448 -9.565 1.591 1.00 0.00 C ATOM 841 C ASP A 52 -1.637 -11.070 1.459 1.00 0.00 C ATOM 842 O ASP A 52 -2.743 -11.589 1.602 1.00 0.00 O ATOM 843 CB ASP A 52 -0.880 -9.243 2.974 1.00 0.00 C ATOM 844 CG ASP A 52 -0.129 -7.928 2.994 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.768 -6.874 2.795 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.102 -7.951 3.204 1.00 0.00 O ATOM 0 H ASP A 52 -3.074 -8.381 2.195 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.746 -9.237 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.693 -9.206 3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.212 -10.046 3.286 1.00 0.00 H new ATOM 851 N ASP A 53 -0.536 -11.762 1.189 1.00 0.00 N ATOM 852 CA ASP A 53 -0.557 -13.211 1.041 1.00 0.00 C ATOM 853 C ASP A 53 -0.434 -13.908 2.396 1.00 0.00 C ATOM 854 O ASP A 53 -0.658 -15.113 2.501 1.00 0.00 O ATOM 855 CB ASP A 53 0.577 -13.664 0.120 1.00 0.00 C ATOM 856 CG ASP A 53 0.331 -13.290 -1.329 1.00 0.00 C ATOM 857 OD1 ASP A 53 -0.847 -13.097 -1.700 1.00 0.00 O ATOM 858 OD2 ASP A 53 1.314 -13.188 -2.091 1.00 0.00 O ATOM 0 H ASP A 53 0.385 -11.340 1.068 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.514 -13.489 0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.513 -13.216 0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.695 -14.745 0.198 1.00 0.00 H new ATOM 863 N THR A 54 -0.071 -13.150 3.433 1.00 0.00 N ATOM 864 CA THR A 54 0.084 -13.721 4.768 1.00 0.00 C ATOM 865 C THR A 54 -1.207 -13.630 5.579 1.00 0.00 C ATOM 866 O THR A 54 -1.184 -13.665 6.810 1.00 0.00 O ATOM 867 CB THR A 54 1.231 -13.041 5.517 1.00 0.00 C ATOM 868 OG1 THR A 54 1.507 -13.717 6.731 1.00 0.00 O ATOM 869 CG2 THR A 54 0.959 -11.592 5.851 1.00 0.00 C ATOM 0 H THR A 54 0.119 -12.150 3.373 1.00 0.00 H new ATOM 0 HA THR A 54 0.322 -14.777 4.642 1.00 0.00 H new ATOM 0 HB THR A 54 2.081 -13.084 4.837 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.671 -13.863 7.221 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.815 -11.174 6.381 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.793 -11.031 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.073 -11.524 6.482 1.00 0.00 H new ATOM 877 N GLY A 55 -2.331 -13.550 4.880 1.00 0.00 N ATOM 878 CA GLY A 55 -3.622 -13.500 5.542 1.00 0.00 C ATOM 879 C GLY A 55 -4.020 -12.126 6.060 1.00 0.00 C ATOM 880 O GLY A 55 -4.854 -12.032 6.961 1.00 0.00 O ATOM 0 H GLY A 55 -2.373 -13.519 3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.386 -13.845 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.613 -14.200 6.378 1.00 0.00 H new ATOM 884 N PHE A 56 -3.455 -11.056 5.503 1.00 0.00 N ATOM 885 CA PHE A 56 -3.808 -9.718 5.939 1.00 0.00 C ATOM 886 C PHE A 56 -4.448 -8.952 4.795 1.00 0.00 C ATOM 887 O PHE A 56 -4.314 -9.322 3.629 1.00 0.00 O ATOM 888 CB PHE A 56 -2.565 -8.976 6.461 1.00 0.00 C ATOM 889 CG PHE A 56 -2.546 -7.489 6.185 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.514 -7.007 4.884 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.567 -6.579 7.228 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.505 -5.646 4.629 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.555 -5.218 6.982 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.525 -4.750 5.681 1.00 0.00 C ATOM 0 H PHE A 56 -2.759 -11.094 4.758 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.527 -9.792 6.755 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.493 -9.132 7.537 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.678 -9.425 6.014 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.496 -7.703 4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.593 -6.936 8.247 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.482 -5.286 3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.569 -4.520 7.806 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.517 -3.687 5.488 1.00 0.00 H new ATOM 904 N THR A 57 -5.114 -7.865 5.139 1.00 0.00 N ATOM 905 CA THR A 57 -5.744 -7.015 4.143 1.00 0.00 C ATOM 906 C THR A 57 -6.032 -5.633 4.713 1.00 0.00 C ATOM 907 O THR A 57 -6.400 -5.494 5.878 1.00 0.00 O ATOM 908 CB THR A 57 -7.030 -7.637 3.583 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.172 -6.908 3.996 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.250 -9.085 3.977 1.00 0.00 C ATOM 0 H THR A 57 -5.233 -7.549 6.101 1.00 0.00 H new ATOM 0 HA THR A 57 -5.039 -6.917 3.318 1.00 0.00 H new ATOM 0 HB THR A 57 -6.896 -7.596 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.978 -7.324 3.624 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.181 -9.444 3.538 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.420 -9.691 3.614 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.307 -9.162 5.063 1.00 0.00 H new ATOM 918 N ALA A 58 -5.858 -4.614 3.881 1.00 0.00 N ATOM 919 CA ALA A 58 -6.099 -3.237 4.312 1.00 0.00 C ATOM 920 C ALA A 58 -6.697 -2.393 3.191 1.00 0.00 C ATOM 921 O ALA A 58 -6.103 -2.248 2.127 1.00 0.00 O ATOM 922 CB ALA A 58 -4.807 -2.609 4.813 1.00 0.00 C ATOM 0 H ALA A 58 -5.554 -4.710 2.912 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.823 -3.266 5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.000 -1.584 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.426 -3.185 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.068 -2.607 4.011 1.00 0.00 H new ATOM 928 N ASP A 59 -7.874 -1.828 3.440 1.00 0.00 N ATOM 929 CA ASP A 59 -8.547 -0.997 2.445 1.00 0.00 C ATOM 930 C ASP A 59 -8.149 0.469 2.585 1.00 0.00 C ATOM 931 O ASP A 59 -7.802 0.930 3.673 1.00 0.00 O ATOM 932 CB ASP A 59 -10.064 -1.139 2.575 1.00 0.00 C ATOM 933 CG ASP A 59 -10.564 -0.769 3.957 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.446 -1.608 4.876 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.073 0.360 4.122 1.00 0.00 O ATOM 0 H ASP A 59 -8.381 -1.929 4.319 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.236 -1.341 1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.550 -0.504 1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.350 -2.167 2.351 1.00 0.00 H new ATOM 940 N GLY A 60 -8.205 1.198 1.473 1.00 0.00 N ATOM 941 CA GLY A 60 -7.853 2.605 1.484 1.00 0.00 C ATOM 942 C GLY A 60 -8.546 3.373 0.376 1.00 0.00 C ATOM 943 O GLY A 60 -9.470 2.861 -0.256 1.00 0.00 O ATOM 0 H GLY A 60 -8.489 0.836 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.121 3.038 2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.773 2.709 1.377 1.00 0.00 H new ATOM 947 N ASP A 61 -8.103 4.604 0.137 1.00 0.00 N ATOM 948 CA ASP A 61 -8.697 5.432 -0.905 1.00 0.00 C ATOM 949 C ASP A 61 -7.844 6.666 -1.183 1.00 0.00 C ATOM 950 O ASP A 61 -7.454 7.383 -0.261 1.00 0.00 O ATOM 951 CB ASP A 61 -10.110 5.858 -0.501 1.00 0.00 C ATOM 952 CG ASP A 61 -10.124 6.688 0.766 1.00 0.00 C ATOM 953 OD1 ASP A 61 -9.779 6.145 1.837 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.478 7.884 0.689 1.00 0.00 O ATOM 0 H ASP A 61 -7.339 5.047 0.648 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.746 4.838 -1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.559 6.431 -1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.727 4.971 -0.358 1.00 0.00 H new ATOM 959 N PHE A 62 -7.566 6.912 -2.457 1.00 0.00 N ATOM 960 CA PHE A 62 -6.767 8.064 -2.855 1.00 0.00 C ATOM 961 C PHE A 62 -7.574 9.347 -2.729 1.00 0.00 C ATOM 962 O PHE A 62 -8.506 9.589 -3.497 1.00 0.00 O ATOM 963 CB PHE A 62 -6.273 7.917 -4.297 1.00 0.00 C ATOM 964 CG PHE A 62 -5.415 6.703 -4.553 1.00 0.00 C ATOM 965 CD1 PHE A 62 -5.053 5.841 -3.526 1.00 0.00 C ATOM 966 CD2 PHE A 62 -4.963 6.431 -5.835 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.261 4.737 -3.776 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.173 5.329 -6.090 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.820 4.481 -5.059 1.00 0.00 C ATOM 0 H PHE A 62 -7.882 6.329 -3.232 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.906 8.113 -2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.137 7.879 -4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.705 8.808 -4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.395 6.036 -2.520 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.233 7.091 -6.646 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.987 4.075 -2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.831 5.130 -7.095 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.200 3.619 -5.256 1.00 0.00 H new ATOM 979 N VAL A 63 -7.204 10.165 -1.759 1.00 0.00 N ATOM 980 CA VAL A 63 -7.886 11.436 -1.527 1.00 0.00 C ATOM 981 C VAL A 63 -7.299 12.550 -2.390 1.00 0.00 C ATOM 982 O VAL A 63 -7.872 13.634 -2.488 1.00 0.00 O ATOM 983 CB VAL A 63 -7.816 11.863 -0.047 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.848 11.109 0.776 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.416 11.652 0.510 1.00 0.00 C ATOM 0 H VAL A 63 -6.435 9.976 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.929 11.277 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.045 12.927 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.783 11.424 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.846 11.324 0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.656 10.038 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.390 11.960 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.150 10.598 0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.704 12.247 -0.061 1.00 0.00 H new ATOM 995 N SER A 64 -6.155 12.280 -3.014 1.00 0.00 N ATOM 996 CA SER A 64 -5.502 13.269 -3.864 1.00 0.00 C ATOM 997 C SER A 64 -4.551 12.594 -4.848 1.00 0.00 C ATOM 998 O SER A 64 -4.443 11.370 -4.881 1.00 0.00 O ATOM 999 CB SER A 64 -4.737 14.282 -3.011 1.00 0.00 C ATOM 1000 OG SER A 64 -4.655 15.538 -3.662 1.00 0.00 O ATOM 0 H SER A 64 -5.664 11.389 -2.947 1.00 0.00 H new ATOM 0 HA SER A 64 -6.273 13.792 -4.430 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.234 14.400 -2.048 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.734 13.908 -2.809 1.00 0.00 H new ATOM 0 HG SER A 64 -4.163 16.168 -3.096 1.00 0.00 H new ATOM 1006 N ALA A 65 -3.866 13.405 -5.648 1.00 0.00 N ATOM 1007 CA ALA A 65 -2.925 12.887 -6.632 1.00 0.00 C ATOM 1008 C ALA A 65 -1.631 12.425 -5.970 1.00 0.00 C ATOM 1009 O ALA A 65 -0.927 11.565 -6.499 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.633 13.945 -7.687 1.00 0.00 C ATOM 0 H ALA A 65 -3.945 14.422 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.381 12.022 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.928 13.546 -8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.559 14.222 -8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.202 14.825 -7.210 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.319 13.004 -4.812 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.105 12.648 -4.086 1.00 0.00 C ATOM 1018 C ASN A 66 -0.412 12.219 -2.650 1.00 0.00 C ATOM 1019 O ASN A 66 0.499 11.907 -1.884 1.00 0.00 O ATOM 1020 CB ASN A 66 0.870 13.830 -4.077 1.00 0.00 C ATOM 1021 CG ASN A 66 1.991 13.680 -5.096 1.00 0.00 C ATOM 1022 OD1 ASN A 66 3.102 14.163 -4.878 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.712 13.012 -6.213 1.00 0.00 N ATOM 0 H ASN A 66 -1.889 13.719 -4.359 1.00 0.00 H new ATOM 0 HA ASN A 66 0.351 11.802 -4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.321 14.749 -4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.302 13.931 -3.081 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.431 12.886 -6.925 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.779 12.626 -6.357 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.694 12.199 -2.285 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.092 11.801 -0.940 1.00 0.00 C ATOM 1032 C GLU A 67 -2.791 10.445 -0.961 1.00 0.00 C ATOM 1033 O GLU A 67 -3.462 10.096 -1.933 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.007 12.857 -0.318 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.739 13.102 1.158 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.139 14.495 1.599 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -2.537 15.471 1.103 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -4.054 14.611 2.442 1.00 0.00 O ATOM 0 H GLU A 67 -2.468 12.452 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.192 11.715 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.887 13.795 -0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.044 12.546 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.285 12.367 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.679 12.951 1.361 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.620 9.682 0.111 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.222 8.359 0.215 1.00 0.00 C ATOM 1047 C LEU A 68 -3.890 8.183 1.573 1.00 0.00 C ATOM 1048 O LEU A 68 -3.390 8.669 2.589 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.135 7.294 -0.023 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.362 5.888 0.573 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.553 5.915 2.083 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.541 5.215 -0.102 1.00 0.00 C ATOM 0 H LEU A 68 -2.068 9.958 0.923 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.997 8.244 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.004 7.184 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.196 7.679 0.375 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.459 5.309 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.709 4.900 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.666 6.338 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.421 6.526 2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.690 4.224 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.438 5.815 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.344 5.121 -1.170 1.00 0.00 H new ATOM 1064 N HIS A 69 -5.011 7.473 1.591 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.733 7.222 2.835 1.00 0.00 C ATOM 1066 C HIS A 69 -5.973 5.730 3.027 1.00 0.00 C ATOM 1067 O HIS A 69 -6.781 5.124 2.324 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.068 7.963 2.847 1.00 0.00 C ATOM 1069 CG HIS A 69 -7.002 9.311 3.496 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -8.123 10.017 3.879 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -5.941 10.084 3.832 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -7.757 11.165 4.421 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -6.438 11.229 4.404 1.00 0.00 N ATOM 0 H HIS A 69 -5.440 7.061 0.762 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.118 7.591 3.656 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.418 8.080 1.821 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.807 7.354 3.368 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.899 9.844 3.679 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.422 11.921 4.811 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.878 12.004 4.759 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.272 5.143 3.990 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.418 3.720 4.277 1.00 0.00 C ATOM 1084 C HIS A 70 -5.386 3.473 5.781 1.00 0.00 C ATOM 1085 O HIS A 70 -4.545 4.020 6.494 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.329 2.909 3.554 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.144 2.541 4.403 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -3.240 1.766 5.542 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -1.829 2.829 4.258 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -2.038 1.594 6.058 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -1.165 2.228 5.299 1.00 0.00 N ATOM 0 H HIS A 70 -4.599 5.628 4.584 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.386 3.386 3.904 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.776 1.994 3.164 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.979 3.483 2.696 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.385 3.421 3.471 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.808 1.030 6.950 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.158 2.266 5.460 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.315 2.651 6.262 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.377 2.356 7.682 1.00 0.00 C ATOM 1102 C GLY A 71 -6.456 3.614 8.524 1.00 0.00 C ATOM 1103 O GLY A 71 -6.096 3.607 9.701 1.00 0.00 O ATOM 0 H GLY A 71 -7.024 2.185 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.246 1.730 7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.497 1.782 7.971 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.924 4.700 7.915 1.00 0.00 N ATOM 1108 CA GLY A 72 -7.039 5.958 8.623 1.00 0.00 C ATOM 1109 C GLY A 72 -5.732 6.727 8.669 1.00 0.00 C ATOM 1110 O GLY A 72 -5.568 7.629 9.491 1.00 0.00 O ATOM 0 H GLY A 72 -7.226 4.729 6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.800 6.572 8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.379 5.767 9.641 1.00 0.00 H new ATOM 1114 N MET A 73 -4.793 6.372 7.792 1.00 0.00 N ATOM 1115 CA MET A 73 -3.503 7.041 7.752 1.00 0.00 C ATOM 1116 C MET A 73 -3.389 7.935 6.526 1.00 0.00 C ATOM 1117 O MET A 73 -4.150 7.797 5.570 1.00 0.00 O ATOM 1118 CB MET A 73 -2.380 6.006 7.741 1.00 0.00 C ATOM 1119 CG MET A 73 -1.776 5.749 9.109 1.00 0.00 C ATOM 1120 SD MET A 73 -3.006 5.247 10.329 1.00 0.00 S ATOM 1121 CE MET A 73 -2.110 3.967 11.205 1.00 0.00 C ATOM 0 H MET A 73 -4.905 5.627 7.104 1.00 0.00 H new ATOM 0 HA MET A 73 -3.416 7.664 8.642 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.766 5.068 7.342 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.595 6.342 7.064 1.00 0.00 H new ATOM 0 HG2 MET A 73 -1.015 4.973 9.026 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.274 6.652 9.456 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.740 3.557 11.994 1.00 0.00 H new ATOM 0 HE2 MET A 73 -1.836 3.173 10.510 1.00 0.00 H new ATOM 0 HE3 MET A 73 -1.207 4.391 11.645 1.00 0.00 H new ATOM 1131 N THR A 74 -2.419 8.840 6.555 1.00 0.00 N ATOM 1132 CA THR A 74 -2.186 9.745 5.438 1.00 0.00 C ATOM 1133 C THR A 74 -0.808 9.488 4.846 1.00 0.00 C ATOM 1134 O THR A 74 0.212 9.815 5.454 1.00 0.00 O ATOM 1135 CB THR A 74 -2.304 11.202 5.887 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.412 11.374 6.751 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.465 12.169 4.732 1.00 0.00 C ATOM 0 H THR A 74 -1.781 8.966 7.341 1.00 0.00 H new ATOM 0 HA THR A 74 -2.944 9.561 4.677 1.00 0.00 H new ATOM 0 HB THR A 74 -1.369 11.424 6.400 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.468 12.312 7.028 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.543 13.186 5.117 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.600 12.096 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.368 11.922 4.174 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.784 8.888 3.666 1.00 0.00 N ATOM 1146 CA PHE A 75 0.469 8.567 2.999 1.00 0.00 C ATOM 1147 C PHE A 75 0.692 9.459 1.784 1.00 0.00 C ATOM 1148 O PHE A 75 -0.148 9.534 0.888 1.00 0.00 O ATOM 1149 CB PHE A 75 0.467 7.097 2.584 1.00 0.00 C ATOM 1150 CG PHE A 75 0.876 6.164 3.682 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.213 5.896 3.914 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.079 5.555 4.479 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.594 5.039 4.927 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.296 4.696 5.495 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.635 4.438 5.719 1.00 0.00 C ATOM 0 H PHE A 75 -1.619 8.613 3.149 1.00 0.00 H new ATOM 0 HA PHE A 75 1.287 8.746 3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.532 6.826 2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.141 6.966 1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.967 6.362 3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.126 5.753 4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.641 4.839 5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.456 4.227 6.113 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.931 3.767 6.512 1.00 0.00 H new ATOM 1165 N TYR A 76 1.839 10.129 1.760 1.00 0.00 N ATOM 1166 CA TYR A 76 2.185 11.013 0.654 1.00 0.00 C ATOM 1167 C TYR A 76 3.178 10.333 -0.275 1.00 0.00 C ATOM 1168 O TYR A 76 4.007 9.536 0.161 1.00 0.00 O ATOM 1169 CB TYR A 76 2.766 12.325 1.178 1.00 0.00 C ATOM 1170 CG TYR A 76 1.906 12.985 2.228 1.00 0.00 C ATOM 1171 CD1 TYR A 76 1.890 12.512 3.535 1.00 0.00 C ATOM 1172 CD2 TYR A 76 1.103 14.074 1.915 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.099 13.107 4.497 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.310 14.675 2.874 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.312 14.189 4.163 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.477 14.784 5.121 1.00 0.00 O ATOM 0 H TYR A 76 2.545 10.076 2.494 1.00 0.00 H new ATOM 0 HA TYR A 76 1.277 11.235 0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.755 12.135 1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.900 13.013 0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.506 11.666 3.802 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.098 14.458 0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.096 12.727 5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.308 15.522 2.614 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.968 15.533 4.722 1.00 0.00 H new ATOM 1186 N ARG A 77 3.082 10.642 -1.561 1.00 0.00 N ATOM 1187 CA ARG A 77 3.968 10.044 -2.550 1.00 0.00 C ATOM 1188 C ARG A 77 5.372 10.629 -2.479 1.00 0.00 C ATOM 1189 O ARG A 77 5.543 11.838 -2.362 1.00 0.00 O ATOM 1190 CB ARG A 77 3.411 10.239 -3.958 1.00 0.00 C ATOM 1191 CG ARG A 77 3.904 9.205 -4.958 1.00 0.00 C ATOM 1192 CD ARG A 77 3.219 7.863 -4.765 1.00 0.00 C ATOM 1193 NE ARG A 77 2.696 7.329 -6.022 1.00 0.00 N ATOM 1194 CZ ARG A 77 1.750 7.919 -6.750 1.00 0.00 C ATOM 1195 NH1 ARG A 77 1.203 9.058 -6.344 1.00 0.00 N ATOM 1196 NH2 ARG A 77 1.345 7.366 -7.884 1.00 0.00 N ATOM 0 H ARG A 77 2.403 11.300 -1.943 1.00 0.00 H new ATOM 0 HA ARG A 77 4.027 8.979 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.322 10.202 -3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.683 11.233 -4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.722 9.564 -5.971 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.982 9.082 -4.852 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.926 7.153 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.403 7.972 -4.050 1.00 0.00 H new ATOM 0 HE ARG A 77 3.081 6.448 -6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.507 9.487 -5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.479 9.505 -6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.758 6.488 -8.199 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.620 7.818 -8.442 1.00 0.00 H new ATOM 1210 N GLU A 78 6.351 9.736 -2.576 1.00 0.00 N ATOM 1211 CA GLU A 78 7.783 10.062 -2.551 1.00 0.00 C ATOM 1212 C GLU A 78 8.136 11.130 -1.511 1.00 0.00 C ATOM 1213 O GLU A 78 8.975 10.900 -0.639 1.00 0.00 O ATOM 1214 CB GLU A 78 8.254 10.443 -3.968 1.00 0.00 C ATOM 1215 CG GLU A 78 8.900 11.820 -4.109 1.00 0.00 C ATOM 1216 CD GLU A 78 7.891 12.915 -4.399 1.00 0.00 C ATOM 1217 OE1 GLU A 78 7.135 12.780 -5.384 1.00 0.00 O ATOM 1218 OE2 GLU A 78 7.859 13.908 -3.641 1.00 0.00 O ATOM 0 H GLU A 78 6.172 8.737 -2.677 1.00 0.00 H new ATOM 0 HA GLU A 78 8.324 9.171 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.968 9.692 -4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.397 10.395 -4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.437 12.060 -3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.638 11.790 -4.911 1.00 0.00 H new ATOM 1225 N LYS A 79 7.507 12.290 -1.604 1.00 0.00 N ATOM 1226 CA LYS A 79 7.763 13.383 -0.672 1.00 0.00 C ATOM 1227 C LYS A 79 9.192 13.900 -0.820 1.00 0.00 C ATOM 1228 O LYS A 79 10.094 13.340 -0.161 1.00 0.00 O ATOM 1229 CB LYS A 79 7.519 12.926 0.770 1.00 0.00 C ATOM 1230 CG LYS A 79 6.163 13.341 1.318 1.00 0.00 C ATOM 1231 CD LYS A 79 6.297 14.396 2.405 1.00 0.00 C ATOM 1232 CE LYS A 79 6.888 13.814 3.680 1.00 0.00 C ATOM 1233 NZ LYS A 79 8.255 14.338 3.947 1.00 0.00 N ATOM 1234 OXT LYS A 79 9.396 14.857 -1.595 1.00 0.00 O ATOM 0 H LYS A 79 6.811 12.503 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 79 7.075 14.195 -0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.604 11.840 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.301 13.336 1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.546 13.729 0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.649 12.467 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.930 15.209 2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.318 14.825 2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.238 14.050 4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.925 12.728 3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.462 14.265 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.951 13.781 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.308 15.334 3.653 1.00 0.00 H new TER 1248 LYS A 79