USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 572 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 66 ASN : amide:sc= -0.196 K(o=0.041,f=-12!) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.237 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= -0.417 USER MOD Set 2.2: A 30 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 33 GLN : amide:sc= -0.711 K(o=-1.1,f=1.2) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0.855 USER MOD Set 3.2: A 12 TYR OH : rot 86:sc= 0.993 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0965 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.9!) USER MOD Single : A 11 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.5!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.307 K(o=-0.31,f=-11!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 41 THR OG1 : rot -28:sc= 0.136 USER MOD Single : A 45 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.7) USER MOD Single : A 53 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.679) USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= 0.752 (180deg=-0.0539) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.559 K(o=-0.56,f=-5.2!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0535 USER MOD Single : A 74 SER OG : rot 180:sc= -0.209 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.728 1.503 -0.949 1.00 62.14 N ATOM 2 CA GLY A 1 3.358 1.041 -1.067 1.00 72.30 C ATOM 3 C GLY A 1 2.571 1.822 -2.103 1.00 22.14 C ATOM 4 O GLY A 1 3.093 2.747 -2.722 1.00 61.32 O ATOM 0 H1 GLY A 1 5.377 0.700 -1.073 1.00 62.14 H new ATOM 0 H2 GLY A 1 4.917 2.218 -1.680 1.00 62.14 H new ATOM 0 H3 GLY A 1 4.873 1.923 -0.009 1.00 62.14 H new ATOM 0 HA2 GLY A 1 3.356 -0.016 -1.334 1.00 72.30 H new ATOM 0 HA3 GLY A 1 2.864 1.127 -0.099 1.00 72.30 H new ATOM 10 N THR A 2 1.310 1.445 -2.291 1.00 31.43 N ATOM 11 CA THR A 2 0.449 2.113 -3.259 1.00 21.31 C ATOM 12 C THR A 2 0.271 3.587 -2.910 1.00 71.43 C ATOM 13 O THR A 2 0.479 4.011 -1.773 1.00 32.13 O ATOM 14 CB THR A 2 -0.934 1.444 -3.339 1.00 31.02 C ATOM 15 OG1 THR A 2 -1.282 0.888 -2.065 1.00 74.52 O ATOM 16 CG2 THR A 2 -0.948 0.351 -4.395 1.00 63.13 C ATOM 0 H THR A 2 0.862 0.680 -1.785 1.00 31.43 H new ATOM 0 HA THR A 2 0.939 2.028 -4.229 1.00 21.31 H new ATOM 0 HB THR A 2 -1.665 2.203 -3.617 1.00 31.02 H new ATOM 0 HG1 THR A 2 -2.164 0.465 -2.123 1.00 74.52 H new ATOM 0 HG21 THR A 2 -1.937 -0.107 -4.432 1.00 63.13 H new ATOM 0 HG22 THR A 2 -0.711 0.782 -5.368 1.00 63.13 H new ATOM 0 HG23 THR A 2 -0.206 -0.407 -4.144 1.00 63.13 H new ATOM 24 N PRO A 3 -0.126 4.389 -3.910 1.00 22.24 N ATOM 25 CA PRO A 3 -0.342 5.827 -3.732 1.00 51.53 C ATOM 26 C PRO A 3 -1.568 6.127 -2.875 1.00 21.02 C ATOM 27 O PRO A 3 -2.622 5.516 -3.048 1.00 25.42 O ATOM 28 CB PRO A 3 -0.553 6.334 -5.161 1.00 52.33 C ATOM 29 CG PRO A 3 -1.057 5.150 -5.912 1.00 61.01 C ATOM 30 CD PRO A 3 -0.393 3.953 -5.291 1.00 71.24 C ATOM 0 HA PRO A 3 0.491 6.303 -3.215 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -1.270 7.155 -5.188 1.00 52.33 H new ATOM 0 HB3 PRO A 3 0.377 6.708 -5.590 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -2.142 5.075 -5.840 1.00 61.01 H new ATOM 0 HG3 PRO A 3 -0.812 5.226 -6.971 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -1.040 3.076 -5.318 1.00 71.24 H new ATOM 0 HD3 PRO A 3 0.526 3.687 -5.813 1.00 71.24 H new ATOM 38 N SER A 4 -1.421 7.072 -1.952 1.00 53.30 N ATOM 39 CA SER A 4 -2.515 7.450 -1.065 1.00 1.23 C ATOM 40 C SER A 4 -2.517 8.955 -0.816 1.00 70.21 C ATOM 41 O SER A 4 -1.508 9.629 -1.020 1.00 72.45 O ATOM 42 CB SER A 4 -2.406 6.701 0.265 1.00 45.22 C ATOM 43 OG SER A 4 -1.393 7.263 1.083 1.00 21.10 O ATOM 0 H SER A 4 -0.556 7.590 -1.799 1.00 53.30 H new ATOM 0 HA SER A 4 -3.453 7.178 -1.550 1.00 1.23 H new ATOM 0 HB2 SER A 4 -3.362 6.738 0.787 1.00 45.22 H new ATOM 0 HB3 SER A 4 -2.186 5.650 0.078 1.00 45.22 H new ATOM 0 HG SER A 4 -1.343 6.769 1.928 1.00 21.10 H new ATOM 49 N ALA A 5 -3.658 9.474 -0.374 1.00 44.51 N ATOM 50 CA ALA A 5 -3.792 10.898 -0.094 1.00 71.53 C ATOM 51 C ALA A 5 -2.741 11.362 0.908 1.00 64.50 C ATOM 52 O ALA A 5 -2.377 12.538 0.940 1.00 75.23 O ATOM 53 CB ALA A 5 -5.189 11.205 0.423 1.00 50.33 C ATOM 0 H ALA A 5 -4.503 8.929 -0.202 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.633 11.442 -1.025 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.275 12.272 0.628 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -5.926 10.919 -0.328 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.369 10.644 1.340 1.00 50.33 H new ATOM 59 N ASP A 6 -2.256 10.433 1.723 1.00 73.12 N ATOM 60 CA ASP A 6 -1.245 10.747 2.727 1.00 73.34 C ATOM 61 C ASP A 6 0.076 11.125 2.066 1.00 50.31 C ATOM 62 O ASP A 6 0.877 11.864 2.637 1.00 61.44 O ATOM 63 CB ASP A 6 -1.040 9.556 3.664 1.00 32.21 C ATOM 64 CG ASP A 6 -0.445 9.966 4.997 1.00 10.24 C ATOM 65 OD1 ASP A 6 -0.851 11.020 5.529 1.00 72.44 O ATOM 66 OD2 ASP A 6 0.426 9.232 5.509 1.00 60.32 O1- ATOM 0 H ASP A 6 -2.546 9.455 1.709 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.596 11.599 3.308 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -1.996 9.061 3.833 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.385 8.829 3.185 1.00 32.21 H new ATOM 71 N GLN A 7 0.298 10.610 0.860 1.00 61.34 N ATOM 72 CA GLN A 7 1.524 10.893 0.124 1.00 33.32 C ATOM 73 C GLN A 7 1.516 12.316 -0.424 1.00 30.12 C ATOM 74 O GLN A 7 2.565 12.936 -0.587 1.00 65.14 O ATOM 75 CB GLN A 7 1.697 9.894 -1.023 1.00 3.44 C ATOM 76 CG GLN A 7 2.239 8.546 -0.577 1.00 3.33 C ATOM 77 CD GLN A 7 3.701 8.603 -0.184 1.00 3.22 C ATOM 78 OE1 GLN A 7 4.051 9.139 0.869 1.00 64.11 O ATOM 79 NE2 GLN A 7 4.564 8.051 -1.028 1.00 43.14 N ATOM 0 H GLN A 7 -0.355 9.996 0.373 1.00 61.34 H new ATOM 0 HA GLN A 7 2.362 10.794 0.814 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.735 9.746 -1.513 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.371 10.320 -1.766 1.00 3.44 H new ATOM 0 HG2 GLN A 7 1.654 8.186 0.269 1.00 3.33 H new ATOM 0 HG3 GLN A 7 2.112 7.823 -1.383 1.00 3.33 H new ATOM 0 HE21 GLN A 7 4.230 7.618 -1.889 1.00 43.14 H new ATOM 0 HE22 GLN A 7 5.562 8.060 -0.816 1.00 43.14 H new ATOM 88 N VAL A 8 0.321 12.827 -0.706 1.00 11.23 N ATOM 89 CA VAL A 8 0.175 14.179 -1.235 1.00 70.32 C ATOM 90 C VAL A 8 -0.103 15.179 -0.118 1.00 51.41 C ATOM 91 O VAL A 8 -0.690 16.236 -0.351 1.00 2.43 O ATOM 92 CB VAL A 8 -0.961 14.255 -2.273 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.648 13.375 -3.475 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.286 13.857 -1.642 1.00 21.21 C ATOM 0 H VAL A 8 -0.558 12.326 -0.577 1.00 11.23 H new ATOM 0 HA VAL A 8 1.118 14.434 -1.720 1.00 70.32 H new ATOM 0 HB VAL A 8 -1.044 15.285 -2.619 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.462 13.442 -4.197 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.278 13.711 -3.941 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.536 12.341 -3.149 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.077 13.916 -2.389 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.218 12.836 -1.266 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.514 14.533 -0.818 1.00 21.21 H new ATOM 104 N ARG A 9 0.321 14.838 1.094 1.00 23.24 N ATOM 105 CA ARG A 9 0.116 15.705 2.247 1.00 13.23 C ATOM 106 C ARG A 9 1.143 16.833 2.268 1.00 52.15 C ATOM 107 O ARG A 9 1.985 16.937 1.375 1.00 24.40 O ATOM 108 CB ARG A 9 0.205 14.896 3.543 1.00 64.10 C ATOM 109 CG ARG A 9 -1.061 14.119 3.864 1.00 33.12 C ATOM 110 CD ARG A 9 -2.169 15.038 4.355 1.00 30.54 C ATOM 111 NE ARG A 9 -3.165 14.320 5.147 1.00 63.31 N ATOM 112 CZ ARG A 9 -4.255 14.889 5.645 1.00 44.51 C ATOM 113 NH1 ARG A 9 -4.491 16.177 5.435 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -5.115 14.169 6.356 1.00 52.12 N ATOM 0 H ARG A 9 0.809 13.967 1.303 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.879 16.143 2.168 1.00 13.23 H new ATOM 0 HB2 ARG A 9 1.040 14.199 3.470 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.425 15.572 4.369 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.397 13.585 2.975 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.846 13.368 4.624 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -1.737 15.838 4.956 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -2.656 15.508 3.500 1.00 30.54 H new ATOM 0 HE ARG A 9 -3.014 13.327 5.327 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -3.833 16.734 4.889 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -5.330 16.611 5.819 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -4.938 13.178 6.519 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -5.953 14.607 6.739 1.00 52.12 H new ATOM 128 N TYR A 10 1.069 17.675 3.292 1.00 14.33 N ATOM 129 CA TYR A 10 1.990 18.797 3.427 1.00 71.55 C ATOM 130 C TYR A 10 2.355 19.029 4.890 1.00 52.43 C ATOM 131 O TYR A 10 1.648 18.588 5.796 1.00 74.35 O ATOM 132 CB TYR A 10 1.372 20.067 2.839 1.00 34.44 C ATOM 133 CG TYR A 10 0.215 20.609 3.649 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.435 21.447 4.734 1.00 21.35 C ATOM 135 CD2 TYR A 10 -1.097 20.280 3.330 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.619 21.944 5.478 1.00 1.11 C ATOM 137 CE2 TYR A 10 -2.156 20.775 4.067 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.911 21.606 5.140 1.00 2.14 C ATOM 139 OH TYR A 10 -2.963 22.098 5.877 1.00 11.10 O ATOM 0 H TYR A 10 0.381 17.602 4.041 1.00 14.33 H new ATOM 0 HA TYR A 10 2.899 18.554 2.877 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.142 20.834 2.763 1.00 34.44 H new ATOM 0 HB3 TYR A 10 1.029 19.858 1.826 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.446 21.715 5.001 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.292 19.627 2.492 1.00 40.41 H new ATOM 0 HE1 TYR A 10 -0.430 22.594 6.320 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -3.170 20.512 3.804 1.00 61.22 H new ATOM 0 HH TYR A 10 -3.807 21.765 5.506 1.00 11.10 H new ATOM 149 N ASN A 11 3.466 19.723 5.113 1.00 42.23 N ATOM 150 CA ASN A 11 3.928 20.014 6.466 1.00 42.31 C ATOM 151 C ASN A 11 4.074 21.517 6.680 1.00 20.03 C ATOM 152 O ASN A 11 4.532 22.239 5.794 1.00 44.41 O ATOM 153 CB ASN A 11 5.264 19.317 6.732 1.00 13.35 C ATOM 154 CG ASN A 11 6.418 19.983 6.006 1.00 32.15 C ATOM 155 OD1 ASN A 11 6.331 20.270 4.812 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.505 20.233 6.726 1.00 62.24 N ATOM 0 H ASN A 11 4.063 20.095 4.374 1.00 42.23 H new ATOM 0 HA ASN A 11 3.183 19.636 7.166 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.464 19.317 7.804 1.00 13.35 H new ATOM 0 HB3 ASN A 11 5.195 18.275 6.421 1.00 13.35 H new ATOM 0 HD21 ASN A 11 8.312 20.680 6.292 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.533 19.978 7.713 1.00 62.24 H new ATOM 163 N TYR A 12 3.681 21.982 7.861 1.00 45.02 N ATOM 164 CA TYR A 12 3.767 23.400 8.191 1.00 72.31 C ATOM 165 C TYR A 12 5.209 23.807 8.477 1.00 31.24 C ATOM 166 O TYR A 12 5.830 23.320 9.422 1.00 51.10 O ATOM 167 CB TYR A 12 2.887 23.717 9.401 1.00 11.32 C ATOM 168 CG TYR A 12 1.406 23.675 9.100 1.00 4.11 C ATOM 169 CD1 TYR A 12 0.820 24.618 8.264 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.592 22.695 9.653 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.533 24.584 7.986 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.762 22.653 9.381 1.00 33.51 C ATOM 173 CZ TYR A 12 -1.320 23.600 8.546 1.00 53.13 C ATOM 174 OH TYR A 12 -2.668 23.562 8.274 1.00 31.24 O ATOM 0 H TYR A 12 3.300 21.398 8.605 1.00 45.02 H new ATOM 0 HA TYR A 12 3.412 23.969 7.332 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.108 23.006 10.197 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.145 24.707 9.778 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.433 25.391 7.824 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.025 21.953 10.307 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.972 25.324 7.333 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -1.380 21.884 9.819 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.820 23.062 7.445 1.00 31.24 H new ATOM 184 N THR A 13 5.737 24.706 7.653 1.00 52.44 N ATOM 185 CA THR A 13 7.107 25.181 7.814 1.00 21.44 C ATOM 186 C THR A 13 7.160 26.703 7.854 1.00 1.51 C ATOM 187 O THR A 13 6.178 27.376 7.543 1.00 61.40 O ATOM 188 CB THR A 13 8.014 24.676 6.676 1.00 0.51 C ATOM 189 OG1 THR A 13 7.414 24.963 5.407 1.00 12.51 O ATOM 190 CG2 THR A 13 8.255 23.179 6.799 1.00 33.31 C ATOM 0 H THR A 13 5.237 25.121 6.867 1.00 52.44 H new ATOM 0 HA THR A 13 7.470 24.783 8.762 1.00 21.44 H new ATOM 0 HB THR A 13 8.972 25.190 6.751 1.00 0.51 H new ATOM 0 HG1 THR A 13 7.998 24.640 4.689 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.898 22.846 5.984 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.737 22.965 7.753 1.00 33.31 H new ATOM 0 HG23 THR A 13 7.302 22.652 6.748 1.00 33.31 H new ATOM 198 N GLU A 14 8.314 27.240 8.238 1.00 33.12 N ATOM 199 CA GLU A 14 8.493 28.685 8.318 1.00 45.32 C ATOM 200 C GLU A 14 9.138 29.225 7.045 1.00 72.14 C ATOM 201 O GLU A 14 10.138 28.688 6.568 1.00 2.41 O ATOM 202 CB GLU A 14 9.352 29.048 9.532 1.00 43.44 C ATOM 203 CG GLU A 14 8.648 29.958 10.525 1.00 35.42 C ATOM 204 CD GLU A 14 9.574 30.455 11.618 1.00 64.44 C ATOM 205 OE1 GLU A 14 10.225 29.613 12.272 1.00 12.22 O ATOM 206 OE2 GLU A 14 9.646 31.685 11.819 1.00 31.43 O1- ATOM 0 H GLU A 14 9.137 26.697 8.498 1.00 33.12 H new ATOM 0 HA GLU A 14 7.509 29.142 8.428 1.00 45.32 H new ATOM 0 HB2 GLU A 14 9.652 28.132 10.041 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.264 29.536 9.188 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.227 30.812 9.994 1.00 35.42 H new ATOM 0 HG3 GLU A 14 7.814 29.421 10.977 1.00 35.42 H new ATOM 213 N LEU A 15 8.559 30.289 6.500 1.00 31.01 N ATOM 214 CA LEU A 15 9.076 30.902 5.282 1.00 75.52 C ATOM 215 C LEU A 15 9.936 32.120 5.607 1.00 52.53 C ATOM 216 O LEU A 15 9.829 32.716 6.679 1.00 52.44 O ATOM 217 CB LEU A 15 7.923 31.308 4.362 1.00 45.14 C ATOM 218 CG LEU A 15 7.344 30.200 3.483 1.00 61.13 C ATOM 219 CD1 LEU A 15 5.932 30.554 3.040 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.238 29.953 2.277 1.00 34.00 C ATOM 0 H LEU A 15 7.731 30.745 6.883 1.00 31.01 H new ATOM 0 HA LEU A 15 9.698 30.167 4.771 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.120 31.714 4.977 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.268 32.115 3.715 1.00 45.14 H new ATOM 0 HG LEU A 15 7.300 29.283 4.070 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.535 29.754 2.415 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.296 30.679 3.917 1.00 24.13 H new ATOM 0 HD13 LEU A 15 5.952 31.483 2.471 1.00 24.13 H new ATOM 0 HD21 LEU A 15 7.810 29.161 1.663 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.315 30.867 1.688 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.230 29.654 2.615 1.00 34.00 H new ATOM 232 N PRO A 16 10.806 32.499 4.661 1.00 52.33 N ATOM 233 CA PRO A 16 11.699 33.651 4.823 1.00 73.22 C ATOM 234 C PRO A 16 10.945 34.976 4.799 1.00 42.24 C ATOM 235 O PRO A 16 11.478 36.011 5.201 1.00 30.55 O ATOM 236 CB PRO A 16 12.634 33.548 3.615 1.00 54.14 C ATOM 237 CG PRO A 16 11.852 32.797 2.592 1.00 53.42 C ATOM 238 CD PRO A 16 10.986 31.836 3.358 1.00 70.53 C ATOM 0 HA PRO A 16 12.216 33.634 5.783 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.919 34.535 3.250 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.555 33.025 3.871 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.246 33.474 1.990 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.513 32.266 1.907 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.032 31.669 2.858 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.465 30.863 3.466 1.00 70.53 H new ATOM 246 N ASN A 17 9.702 34.938 4.330 1.00 3.13 N ATOM 247 CA ASN A 17 8.876 36.136 4.255 1.00 21.43 C ATOM 248 C ASN A 17 8.211 36.423 5.598 1.00 30.55 C ATOM 249 O ASN A 17 7.544 37.443 5.768 1.00 12.42 O ATOM 250 CB ASN A 17 7.809 35.979 3.169 1.00 30.03 C ATOM 251 CG ASN A 17 6.906 34.786 3.414 1.00 50.24 C ATOM 252 OD1 ASN A 17 7.034 34.093 4.425 1.00 12.44 O ATOM 253 ND2 ASN A 17 5.988 34.539 2.487 1.00 24.23 N ATOM 0 H ASN A 17 9.245 34.089 3.996 1.00 3.13 H new ATOM 0 HA ASN A 17 9.522 36.977 4.002 1.00 21.43 H new ATOM 0 HB2 ASN A 17 7.205 36.885 3.123 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.295 35.871 2.199 1.00 30.03 H new ATOM 0 HD21 ASN A 17 5.353 33.749 2.596 1.00 24.23 H new ATOM 0 HD22 ASN A 17 5.918 35.140 1.666 1.00 24.23 H new ATOM 260 N GLY A 18 8.399 35.515 6.552 1.00 75.24 N ATOM 261 CA GLY A 18 7.812 35.689 7.867 1.00 63.13 C ATOM 262 C GLY A 18 6.617 34.783 8.093 1.00 23.55 C ATOM 263 O GLY A 18 6.288 34.454 9.232 1.00 61.41 O ATOM 0 H GLY A 18 8.947 34.663 6.437 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.566 35.487 8.628 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.505 36.728 7.990 1.00 63.13 H new ATOM 267 N GLU A 19 5.966 34.383 7.005 1.00 64.42 N ATOM 268 CA GLU A 19 4.799 33.512 7.091 1.00 70.10 C ATOM 269 C GLU A 19 5.218 32.052 7.219 1.00 45.33 C ATOM 270 O GLU A 19 6.400 31.746 7.386 1.00 50.13 O ATOM 271 CB GLU A 19 3.908 33.694 5.861 1.00 2.11 C ATOM 272 CG GLU A 19 3.684 35.148 5.480 1.00 53.05 C ATOM 273 CD GLU A 19 3.311 36.012 6.669 1.00 73.31 C ATOM 274 OE1 GLU A 19 2.387 35.627 7.415 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 3.944 37.072 6.853 1.00 64.10 O ATOM 0 H GLU A 19 6.226 34.648 6.055 1.00 64.42 H new ATOM 0 HA GLU A 19 4.236 33.789 7.982 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.358 33.171 5.017 1.00 2.11 H new ATOM 0 HB3 GLU A 19 2.943 33.224 6.049 1.00 2.11 H new ATOM 0 HG2 GLU A 19 4.589 35.542 5.019 1.00 53.05 H new ATOM 0 HG3 GLU A 19 2.894 35.206 4.731 1.00 53.05 H new ATOM 282 N TYR A 20 4.243 31.153 7.139 1.00 61.53 N ATOM 283 CA TYR A 20 4.510 29.724 7.246 1.00 34.14 C ATOM 284 C TYR A 20 4.521 29.065 5.871 1.00 55.31 C ATOM 285 O TYR A 20 5.565 28.630 5.385 1.00 31.44 O ATOM 286 CB TYR A 20 3.461 29.055 8.136 1.00 60.13 C ATOM 287 CG TYR A 20 3.910 28.871 9.568 1.00 60.13 C ATOM 288 CD1 TYR A 20 3.714 29.870 10.512 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.529 27.697 9.978 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.124 29.707 11.821 1.00 4.43 C ATOM 291 CE2 TYR A 20 4.940 27.523 11.285 1.00 61.50 C ATOM 292 CZ TYR A 20 4.737 28.533 12.204 1.00 52.13 C ATOM 293 OH TYR A 20 5.144 28.366 13.506 1.00 70.22 O ATOM 0 H TYR A 20 3.260 31.389 7.000 1.00 61.53 H new ATOM 0 HA TYR A 20 5.495 29.597 7.696 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.551 29.654 8.124 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.207 28.082 7.716 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.232 30.791 10.218 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.692 26.906 9.261 1.00 15.40 H new ATOM 0 HE1 TYR A 20 3.965 30.496 12.541 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.417 26.602 11.586 1.00 61.50 H new ATOM 0 HH TYR A 20 5.556 27.483 13.609 1.00 70.22 H new ATOM 303 N CYS A 21 3.349 28.995 5.245 1.00 45.41 N ATOM 304 CA CYS A 21 3.221 28.391 3.926 1.00 22.34 C ATOM 305 C CYS A 21 1.802 28.554 3.389 1.00 21.40 C ATOM 306 O CYS A 21 0.853 28.725 4.154 1.00 34.13 O ATOM 307 CB CYS A 21 3.590 26.908 3.983 1.00 14.31 C ATOM 308 SG CYS A 21 2.326 25.858 4.769 1.00 72.04 S ATOM 0 H CYS A 21 2.475 29.350 5.632 1.00 45.41 H new ATOM 0 HA CYS A 21 3.907 28.903 3.251 1.00 22.34 H new ATOM 0 HB2 CYS A 21 3.766 26.549 2.969 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.528 26.798 4.527 1.00 14.31 H new ATOM 313 N TYR A 22 1.665 28.499 2.069 1.00 73.41 N ATOM 314 CA TYR A 22 0.363 28.643 1.428 1.00 25.14 C ATOM 315 C TYR A 22 -0.284 27.279 1.199 1.00 21.32 C ATOM 316 O TYR A 22 0.305 26.396 0.575 1.00 14.24 O ATOM 317 CB TYR A 22 0.505 29.383 0.098 1.00 71.24 C ATOM 318 CG TYR A 22 0.604 30.884 0.248 1.00 53.20 C ATOM 319 CD1 TYR A 22 -0.298 31.585 1.037 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.605 31.601 -0.398 1.00 33.03 C ATOM 321 CE1 TYR A 22 -0.210 32.957 1.176 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.701 32.973 -0.263 1.00 75.54 C ATOM 323 CZ TYR A 22 0.791 33.646 0.525 1.00 12.31 C ATOM 324 OH TYR A 22 0.882 35.012 0.661 1.00 10.53 O ATOM 0 H TYR A 22 2.440 28.356 1.421 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.279 29.223 2.091 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.393 29.018 -0.418 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.351 29.145 -0.534 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -1.082 31.049 1.551 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.319 31.077 -1.016 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.922 33.487 1.792 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.484 33.515 -0.772 1.00 75.54 H new ATOM 0 HH TYR A 22 1.643 35.343 0.139 1.00 10.53 H new ATOM 334 N THR A 23 -1.502 27.116 1.708 1.00 31.22 N ATOM 335 CA THR A 23 -2.230 25.863 1.559 1.00 12.23 C ATOM 336 C THR A 23 -2.250 25.407 0.105 1.00 3.11 C ATOM 337 O THR A 23 -2.015 26.187 -0.819 1.00 50.51 O ATOM 338 CB THR A 23 -3.679 25.993 2.066 1.00 70.34 C ATOM 339 OG1 THR A 23 -4.124 27.348 1.938 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.787 25.553 3.518 1.00 42.22 C ATOM 0 H THR A 23 -2.004 27.837 2.227 1.00 31.22 H new ATOM 0 HA THR A 23 -1.707 25.120 2.161 1.00 12.23 H new ATOM 0 HB THR A 23 -4.311 25.345 1.459 1.00 70.34 H new ATOM 0 HG1 THR A 23 -5.046 27.421 2.261 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.819 25.654 3.853 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.477 24.512 3.607 1.00 42.22 H new ATOM 0 HG23 THR A 23 -3.142 26.177 4.136 1.00 42.22 H new ATOM 348 N PRO A 24 -2.539 24.114 -0.107 1.00 10.51 N ATOM 349 CA PRO A 24 -2.599 23.528 -1.448 1.00 1.33 C ATOM 350 C PRO A 24 -3.797 24.027 -2.249 1.00 0.42 C ATOM 351 O PRO A 24 -4.821 24.403 -1.679 1.00 21.20 O ATOM 352 CB PRO A 24 -2.728 22.027 -1.172 1.00 42.41 C ATOM 353 CG PRO A 24 -3.348 21.942 0.179 1.00 13.41 C ATOM 354 CD PRO A 24 -2.831 23.129 0.947 1.00 22.44 C ATOM 0 HA PRO A 24 -1.728 23.794 -2.047 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.348 21.538 -1.924 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.755 21.536 -1.193 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.436 21.964 0.111 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -3.079 21.009 0.674 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.571 23.504 1.654 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.939 22.879 1.522 1.00 22.44 H new ATOM 362 N ARG A 25 -3.660 24.028 -3.571 1.00 41.50 N ATOM 363 CA ARG A 25 -4.731 24.484 -4.448 1.00 11.30 C ATOM 364 C ARG A 25 -5.010 25.969 -4.241 1.00 42.24 C ATOM 365 O ARG A 25 -6.104 26.452 -4.534 1.00 30.50 O ATOM 366 CB ARG A 25 -6.005 23.674 -4.196 1.00 71.35 C ATOM 367 CG ARG A 25 -5.765 22.177 -4.091 1.00 24.20 C ATOM 368 CD ARG A 25 -7.045 21.429 -3.752 1.00 13.12 C ATOM 369 NE ARG A 25 -7.579 21.820 -2.449 1.00 61.42 N ATOM 370 CZ ARG A 25 -8.441 21.082 -1.758 1.00 63.21 C ATOM 371 NH1 ARG A 25 -8.865 19.923 -2.242 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -8.879 21.505 -0.580 1.00 31.52 N ATOM 0 H ARG A 25 -2.819 23.718 -4.058 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.411 24.334 -5.479 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.471 24.024 -3.275 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -6.712 23.864 -5.004 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -5.364 21.805 -5.034 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -5.014 21.981 -3.326 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -7.792 21.621 -4.522 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -6.850 20.357 -3.757 1.00 13.12 H new ATOM 0 HE ARG A 25 -7.274 22.707 -2.049 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -8.529 19.595 -3.148 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -9.527 19.359 -1.709 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -8.554 22.396 -0.205 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -9.541 20.939 -0.049 1.00 31.52 H new ATOM 386 N ARG A 26 -4.014 26.687 -3.733 1.00 23.54 N ATOM 387 CA ARG A 26 -4.153 28.117 -3.485 1.00 14.21 C ATOM 388 C ARG A 26 -3.263 28.921 -4.428 1.00 22.51 C ATOM 389 O ARG A 26 -2.174 28.481 -4.796 1.00 34.12 O ATOM 390 CB ARG A 26 -3.798 28.441 -2.033 1.00 32.13 C ATOM 391 CG ARG A 26 -4.781 29.389 -1.362 1.00 14.42 C ATOM 392 CD ARG A 26 -4.199 30.786 -1.223 1.00 12.23 C ATOM 393 NE ARG A 26 -5.240 31.810 -1.181 1.00 53.14 N ATOM 394 CZ ARG A 26 -4.987 33.113 -1.113 1.00 71.13 C ATOM 395 NH1 ARG A 26 -3.736 33.547 -1.076 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -5.988 33.983 -1.078 1.00 33.14 N ATOM 0 H ARG A 26 -3.102 26.302 -3.485 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.191 28.393 -3.669 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.754 27.513 -1.463 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.802 28.882 -2.001 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.701 29.433 -1.945 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -5.045 29.004 -0.377 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -3.600 30.840 -0.314 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -3.529 30.984 -2.059 1.00 12.23 H new ATOM 0 HE ARG A 26 -6.214 31.509 -1.205 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -2.964 32.881 -1.100 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -3.545 34.548 -1.024 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -6.952 33.652 -1.103 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -5.793 34.983 -1.026 1.00 33.14 H new ATOM 410 N ARG A 27 -3.736 30.101 -4.817 1.00 50.31 N ATOM 411 CA ARG A 27 -2.983 30.966 -5.719 1.00 40.43 C ATOM 412 C ARG A 27 -1.687 31.436 -5.065 1.00 64.30 C ATOM 413 O ARG A 27 -1.704 32.056 -4.001 1.00 33.14 O ATOM 414 CB ARG A 27 -3.830 32.174 -6.125 1.00 5.30 C ATOM 415 CG ARG A 27 -3.052 33.232 -6.891 1.00 61.13 C ATOM 416 CD ARG A 27 -3.965 34.341 -7.391 1.00 24.42 C ATOM 417 NE ARG A 27 -3.214 35.524 -7.802 1.00 40.41 N ATOM 418 CZ ARG A 27 -3.784 36.628 -8.273 1.00 44.13 C ATOM 419 NH1 ARG A 27 -5.102 36.699 -8.392 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -3.034 37.664 -8.626 1.00 21.32 N ATOM 0 H ARG A 27 -4.636 30.480 -4.522 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.732 30.391 -6.610 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.664 31.833 -6.738 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -4.257 32.626 -5.229 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -2.281 33.656 -6.247 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.542 32.770 -7.736 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -4.553 33.975 -8.232 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -4.669 34.613 -6.605 1.00 24.42 H new ATOM 0 HE ARG A 27 -2.197 35.502 -7.723 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -5.682 35.905 -8.122 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -5.536 37.548 -8.754 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -2.019 37.613 -8.536 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -3.472 38.511 -8.988 1.00 21.32 H new ATOM 434 N CYS A 28 -0.564 31.138 -5.709 1.00 43.33 N ATOM 435 CA CYS A 28 0.742 31.530 -5.192 1.00 31.31 C ATOM 436 C CYS A 28 1.545 32.278 -6.251 1.00 63.13 C ATOM 437 O CYS A 28 1.079 32.481 -7.373 1.00 50.44 O ATOM 438 CB CYS A 28 1.519 30.296 -4.726 1.00 52.41 C ATOM 439 SG CYS A 28 1.611 28.963 -5.963 1.00 5.44 S ATOM 0 H CYS A 28 -0.532 30.626 -6.591 1.00 43.33 H new ATOM 0 HA CYS A 28 0.584 32.196 -4.344 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.531 30.598 -4.457 1.00 52.41 H new ATOM 0 HB3 CYS A 28 1.052 29.906 -3.822 1.00 52.41 H new ATOM 444 N THR A 29 2.757 32.689 -5.888 1.00 73.01 N ATOM 445 CA THR A 29 3.624 33.416 -6.806 1.00 32.12 C ATOM 446 C THR A 29 4.941 32.678 -7.019 1.00 33.55 C ATOM 447 O THR A 29 5.525 32.731 -8.100 1.00 51.13 O ATOM 448 CB THR A 29 3.922 34.837 -6.291 1.00 20.25 C ATOM 449 OG1 THR A 29 4.506 34.771 -4.984 1.00 30.25 O ATOM 450 CG2 THR A 29 2.651 35.672 -6.241 1.00 44.55 C ATOM 0 H THR A 29 3.160 32.530 -4.964 1.00 73.01 H new ATOM 0 HA THR A 29 3.092 33.486 -7.755 1.00 32.12 H new ATOM 0 HB THR A 29 4.622 35.310 -6.979 1.00 20.25 H new ATOM 0 HG1 THR A 29 4.694 35.678 -4.663 1.00 30.25 H new ATOM 0 HG21 THR A 29 2.886 36.671 -5.874 1.00 44.55 H new ATOM 0 HG22 THR A 29 2.223 35.744 -7.241 1.00 44.55 H new ATOM 0 HG23 THR A 29 1.932 35.200 -5.572 1.00 44.55 H new ATOM 458 N SER A 30 5.403 31.990 -5.980 1.00 63.54 N ATOM 459 CA SER A 30 6.653 31.243 -6.052 1.00 12.44 C ATOM 460 C SER A 30 6.492 29.853 -5.445 1.00 32.23 C ATOM 461 O SER A 30 5.771 29.672 -4.463 1.00 42.24 O ATOM 462 CB SER A 30 7.768 32.002 -5.329 1.00 1.42 C ATOM 463 OG SER A 30 7.592 33.403 -5.451 1.00 24.25 O ATOM 0 H SER A 30 4.930 31.934 -5.078 1.00 63.54 H new ATOM 0 HA SER A 30 6.921 31.132 -7.103 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.778 31.724 -4.275 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.735 31.716 -5.743 1.00 1.42 H new ATOM 0 HG SER A 30 8.316 33.866 -4.979 1.00 24.25 H new ATOM 469 N ALA A 31 7.168 28.874 -6.035 1.00 62.45 N ATOM 470 CA ALA A 31 7.102 27.499 -5.553 1.00 32.30 C ATOM 471 C ALA A 31 7.525 27.412 -4.091 1.00 10.12 C ATOM 472 O ALA A 31 6.938 26.665 -3.309 1.00 65.45 O ATOM 473 CB ALA A 31 7.973 26.596 -6.412 1.00 44.20 C ATOM 0 H ALA A 31 7.769 29.007 -6.849 1.00 62.45 H new ATOM 0 HA ALA A 31 6.068 27.162 -5.626 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.914 25.573 -6.041 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.624 26.628 -7.444 1.00 44.20 H new ATOM 0 HB3 ALA A 31 9.007 26.939 -6.368 1.00 44.20 H new ATOM 479 N ASP A 32 8.550 28.176 -3.729 1.00 12.20 N ATOM 480 CA ASP A 32 9.052 28.185 -2.360 1.00 73.45 C ATOM 481 C ASP A 32 7.927 28.473 -1.371 1.00 71.20 C ATOM 482 O ASP A 32 7.934 27.972 -0.246 1.00 64.22 O ATOM 483 CB ASP A 32 10.163 29.226 -2.207 1.00 74.03 C ATOM 484 CG ASP A 32 11.006 28.996 -0.969 1.00 11.45 C ATOM 485 OD1 ASP A 32 11.802 28.034 -0.964 1.00 52.31 O ATOM 486 OD2 ASP A 32 10.868 29.777 -0.003 1.00 51.42 O1- ATOM 0 H ASP A 32 9.050 28.797 -4.365 1.00 12.20 H new ATOM 0 HA ASP A 32 9.459 27.198 -2.142 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.803 29.202 -3.089 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.721 30.221 -2.162 1.00 74.03 H new ATOM 491 N GLN A 33 6.965 29.285 -1.796 1.00 13.05 N ATOM 492 CA GLN A 33 5.835 29.641 -0.945 1.00 61.53 C ATOM 493 C GLN A 33 4.926 28.438 -0.715 1.00 21.20 C ATOM 494 O GLN A 33 4.474 28.195 0.404 1.00 62.33 O ATOM 495 CB GLN A 33 5.037 30.785 -1.575 1.00 1.33 C ATOM 496 CG GLN A 33 5.894 31.968 -1.992 1.00 24.41 C ATOM 497 CD GLN A 33 5.150 33.286 -1.914 1.00 55.02 C ATOM 498 OE1 GLN A 33 5.557 34.201 -1.199 1.00 20.05 O ATOM 499 NE2 GLN A 33 4.050 33.388 -2.652 1.00 41.24 N ATOM 0 H GLN A 33 6.945 29.709 -2.724 1.00 13.05 H new ATOM 0 HA GLN A 33 6.226 29.967 0.019 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.504 30.407 -2.448 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.284 31.125 -0.865 1.00 1.33 H new ATOM 0 HG2 GLN A 33 6.776 32.015 -1.354 1.00 24.41 H new ATOM 0 HG3 GLN A 33 6.247 31.814 -3.012 1.00 24.41 H new ATOM 0 HE21 GLN A 33 3.749 32.604 -3.231 1.00 41.24 H new ATOM 0 HE22 GLN A 33 3.506 34.251 -2.640 1.00 41.24 H new ATOM 508 N CYS A 34 4.664 27.689 -1.781 1.00 20.44 N ATOM 509 CA CYS A 34 3.809 26.511 -1.695 1.00 42.12 C ATOM 510 C CYS A 34 4.284 25.575 -0.588 1.00 14.23 C ATOM 511 O CYS A 34 5.440 25.152 -0.569 1.00 24.15 O ATOM 512 CB CYS A 34 3.792 25.770 -3.033 1.00 20.31 C ATOM 513 SG CYS A 34 2.929 24.166 -2.984 1.00 43.23 S ATOM 0 H CYS A 34 5.031 27.877 -2.714 1.00 20.44 H new ATOM 0 HA CYS A 34 2.798 26.842 -1.458 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.316 26.404 -3.781 1.00 20.31 H new ATOM 0 HB3 CYS A 34 4.819 25.608 -3.359 1.00 20.31 H new ATOM 518 N CYS A 35 3.381 25.251 0.332 1.00 63.44 N ATOM 519 CA CYS A 35 3.705 24.363 1.444 1.00 62.12 C ATOM 520 C CYS A 35 4.343 23.073 0.940 1.00 75.41 C ATOM 521 O CYS A 35 3.796 22.397 0.069 1.00 52.33 O ATOM 522 CB CYS A 35 2.446 24.043 2.251 1.00 15.41 C ATOM 523 SG CYS A 35 2.702 24.030 4.054 1.00 54.35 S ATOM 0 H CYS A 35 2.419 25.590 0.330 1.00 63.44 H new ATOM 0 HA CYS A 35 4.421 24.873 2.089 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.676 24.776 2.009 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.067 23.069 1.942 1.00 15.41 H new ATOM 528 N ARG A 36 5.503 22.736 1.495 1.00 74.42 N ATOM 529 CA ARG A 36 6.215 21.527 1.103 1.00 31.31 C ATOM 530 C ARG A 36 5.455 20.279 1.545 1.00 11.50 C ATOM 531 O ARG A 36 4.606 20.324 2.436 1.00 64.44 O ATOM 532 CB ARG A 36 7.622 21.519 1.705 1.00 74.21 C ATOM 533 CG ARG A 36 8.656 22.226 0.843 1.00 33.43 C ATOM 534 CD ARG A 36 9.827 22.724 1.675 1.00 52.41 C ATOM 535 NE ARG A 36 10.760 21.649 2.005 1.00 64.13 N ATOM 536 CZ ARG A 36 11.858 21.828 2.731 1.00 24.21 C ATOM 537 NH1 ARG A 36 12.161 23.030 3.199 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 12.657 20.801 2.990 1.00 13.25 N ATOM 0 H ARG A 36 5.969 23.284 2.218 1.00 74.42 H new ATOM 0 HA ARG A 36 6.292 21.519 0.016 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.592 21.995 2.685 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.936 20.487 1.861 1.00 74.21 H new ATOM 0 HG2 ARG A 36 9.018 21.544 0.074 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.190 23.067 0.329 1.00 33.43 H new ATOM 0 HD2 ARG A 36 10.354 23.506 1.128 1.00 52.41 H new ATOM 0 HD3 ARG A 36 9.453 23.174 2.594 1.00 52.41 H new ATOM 0 HE ARG A 36 10.557 20.711 1.659 1.00 64.13 H new ATOM 0 HH11 ARG A 36 11.550 23.823 3.002 1.00 61.22 H new ATOM 0 HH12 ARG A 36 13.005 23.163 3.756 1.00 61.22 H new ATOM 0 HH21 ARG A 36 12.428 19.874 2.632 1.00 13.25 H new ATOM 0 HH22 ARG A 36 13.500 20.939 3.547 1.00 13.25 H new ATOM 552 N PRO A 37 5.766 19.140 0.910 1.00 2.54 N ATOM 553 CA PRO A 37 5.124 17.859 1.222 1.00 73.11 C ATOM 554 C PRO A 37 5.533 17.323 2.589 1.00 25.00 C ATOM 555 O PRO A 37 6.600 17.658 3.105 1.00 22.30 O ATOM 556 CB PRO A 37 5.626 16.932 0.112 1.00 11.35 C ATOM 557 CG PRO A 37 6.922 17.526 -0.321 1.00 4.20 C ATOM 558 CD PRO A 37 6.768 19.013 -0.160 1.00 42.10 C ATOM 0 HA PRO A 37 4.038 17.947 1.265 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.760 15.914 0.477 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.917 16.884 -0.714 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.746 17.151 0.286 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.144 17.266 -1.356 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.711 19.487 0.114 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.431 19.484 -1.083 1.00 42.10 H new ATOM 566 N TYR A 38 4.678 16.490 3.172 1.00 62.25 N ATOM 567 CA TYR A 38 4.951 15.910 4.482 1.00 14.44 C ATOM 568 C TYR A 38 6.282 15.166 4.482 1.00 34.42 C ATOM 569 O TYR A 38 6.931 15.030 5.521 1.00 11.41 O ATOM 570 CB TYR A 38 3.822 14.957 4.885 1.00 22.13 C ATOM 571 CG TYR A 38 3.815 14.619 6.359 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.714 13.700 6.886 1.00 30.11 C ATOM 573 CD2 TYR A 38 2.905 15.216 7.225 1.00 41.20 C ATOM 574 CE1 TYR A 38 4.709 13.387 8.231 1.00 14.55 C ATOM 575 CE2 TYR A 38 2.896 14.911 8.572 1.00 22.03 C ATOM 576 CZ TYR A 38 3.798 13.995 9.070 1.00 53.42 C ATOM 577 OH TYR A 38 3.790 13.687 10.412 1.00 22.44 O ATOM 0 H TYR A 38 3.791 16.201 2.759 1.00 62.25 H new ATOM 0 HA TYR A 38 5.010 16.723 5.206 1.00 14.44 H new ATOM 0 HB2 TYR A 38 2.865 15.407 4.619 1.00 22.13 H new ATOM 0 HB3 TYR A 38 3.912 14.036 4.310 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.429 13.222 6.233 1.00 30.11 H new ATOM 0 HD2 TYR A 38 2.193 15.930 6.838 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.415 12.670 8.624 1.00 14.55 H new ATOM 0 HE2 TYR A 38 2.186 15.388 9.232 1.00 22.03 H new ATOM 0 HH TYR A 38 3.089 14.203 10.862 1.00 22.44 H new ATOM 587 N ASP A 39 6.686 14.689 3.311 1.00 32.30 N ATOM 588 CA ASP A 39 7.943 13.961 3.173 1.00 33.55 C ATOM 589 C ASP A 39 8.575 14.220 1.810 1.00 15.11 C ATOM 590 O ASP A 39 8.174 13.632 0.804 1.00 13.04 O ATOM 591 CB ASP A 39 7.711 12.461 3.365 1.00 24.25 C ATOM 592 CG ASP A 39 7.741 12.051 4.824 1.00 54.15 C ATOM 593 OD1 ASP A 39 8.486 12.683 5.602 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 7.020 11.100 5.188 1.00 4.51 O ATOM 0 H ASP A 39 6.162 14.793 2.442 1.00 32.30 H new ATOM 0 HA ASP A 39 8.627 14.317 3.943 1.00 33.55 H new ATOM 0 HB2 ASP A 39 6.748 12.187 2.934 1.00 24.25 H new ATOM 0 HB3 ASP A 39 8.474 11.906 2.819 1.00 24.25 H new ATOM 599 N THR A 40 9.566 15.107 1.782 1.00 42.33 N ATOM 600 CA THR A 40 10.252 15.447 0.542 1.00 51.22 C ATOM 601 C THR A 40 10.851 14.208 -0.113 1.00 5.24 C ATOM 602 O THR A 40 11.060 14.172 -1.326 1.00 55.42 O ATOM 603 CB THR A 40 11.372 16.477 0.784 1.00 52.44 C ATOM 604 OG1 THR A 40 11.971 16.257 2.067 1.00 3.03 O ATOM 605 CG2 THR A 40 10.828 17.896 0.711 1.00 32.04 C ATOM 0 H THR A 40 9.911 15.602 2.604 1.00 42.33 H new ATOM 0 HA THR A 40 9.505 15.881 -0.123 1.00 51.22 H new ATOM 0 HB THR A 40 12.124 16.352 0.005 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.683 16.914 2.213 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.637 18.605 0.885 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.398 18.071 -0.275 1.00 32.04 H new ATOM 0 HG23 THR A 40 10.058 18.030 1.471 1.00 32.04 H new ATOM 613 N THR A 41 11.125 13.189 0.698 1.00 61.40 N ATOM 614 CA THR A 41 11.702 11.948 0.197 1.00 21.31 C ATOM 615 C THR A 41 10.661 11.124 -0.554 1.00 74.10 C ATOM 616 O THR A 41 11.004 10.215 -1.311 1.00 32.32 O ATOM 617 CB THR A 41 12.283 11.097 1.342 1.00 11.20 C ATOM 618 OG1 THR A 41 12.915 9.926 0.809 1.00 50.03 O ATOM 619 CG2 THR A 41 11.194 10.691 2.323 1.00 40.10 C ATOM 0 H THR A 41 10.956 13.200 1.704 1.00 61.40 H new ATOM 0 HA THR A 41 12.506 12.225 -0.485 1.00 21.31 H new ATOM 0 HB THR A 41 13.021 11.698 1.874 1.00 11.20 H new ATOM 0 HG1 THR A 41 12.492 9.684 -0.041 1.00 50.03 H new ATOM 0 HG21 THR A 41 11.629 10.091 3.122 1.00 40.10 H new ATOM 0 HG22 THR A 41 10.736 11.584 2.748 1.00 40.10 H new ATOM 0 HG23 THR A 41 10.435 10.107 1.803 1.00 40.10 H new ATOM 627 N ALA A 42 9.390 11.447 -0.341 1.00 33.42 N ATOM 628 CA ALA A 42 8.301 10.739 -1.001 1.00 33.24 C ATOM 629 C ALA A 42 7.340 11.713 -1.672 1.00 22.22 C ATOM 630 O ALA A 42 6.187 11.375 -1.942 1.00 41.33 O ATOM 631 CB ALA A 42 7.558 9.864 -0.002 1.00 72.43 C ATOM 0 H ALA A 42 9.089 12.195 0.284 1.00 33.42 H new ATOM 0 HA ALA A 42 8.731 10.103 -1.775 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.747 9.341 -0.509 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.247 9.136 0.427 1.00 72.43 H new ATOM 0 HB3 ALA A 42 7.147 10.487 0.792 1.00 72.43 H new ATOM 637 N ALA A 43 7.820 12.921 -1.940 1.00 12.24 N ATOM 638 CA ALA A 43 7.003 13.946 -2.581 1.00 72.33 C ATOM 639 C ALA A 43 7.802 15.225 -2.807 1.00 51.10 C ATOM 640 O ALA A 43 8.907 15.379 -2.287 1.00 33.12 O ATOM 641 CB ALA A 43 5.766 14.234 -1.744 1.00 43.44 C ATOM 0 H ALA A 43 8.772 13.216 -1.723 1.00 12.24 H new ATOM 0 HA ALA A 43 6.690 13.569 -3.555 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.166 15.001 -2.234 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.177 13.323 -1.640 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.068 14.585 -0.757 1.00 43.44 H new ATOM 647 N PHE A 44 7.237 16.139 -3.589 1.00 14.41 N ATOM 648 CA PHE A 44 7.898 17.405 -3.885 1.00 61.30 C ATOM 649 C PHE A 44 6.898 18.557 -3.870 1.00 33.54 C ATOM 650 O PHE A 44 5.688 18.343 -3.795 1.00 25.14 O ATOM 651 CB PHE A 44 8.592 17.335 -5.247 1.00 4.30 C ATOM 652 CG PHE A 44 7.726 16.760 -6.332 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.658 15.390 -6.530 1.00 14.45 C ATOM 654 CD2 PHE A 44 6.980 17.590 -7.154 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.862 14.860 -7.528 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.183 17.064 -8.153 1.00 31.10 C ATOM 657 CZ PHE A 44 6.124 15.697 -8.340 1.00 44.43 C ATOM 0 H PHE A 44 6.324 16.027 -4.029 1.00 14.41 H new ATOM 0 HA PHE A 44 8.645 17.586 -3.112 1.00 61.30 H new ATOM 0 HB2 PHE A 44 8.907 18.337 -5.537 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.495 16.731 -5.155 1.00 4.30 H new ATOM 0 HD1 PHE A 44 8.233 14.730 -5.898 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.022 18.660 -7.012 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.818 13.791 -7.672 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.607 17.722 -8.787 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.502 15.284 -9.120 1.00 44.43 H new ATOM 667 N HIS A 45 7.414 19.780 -3.938 1.00 30.01 N ATOM 668 CA HIS A 45 6.567 20.968 -3.934 1.00 13.52 C ATOM 669 C HIS A 45 6.760 21.780 -5.212 1.00 32.25 C ATOM 670 O HIS A 45 7.681 21.526 -5.985 1.00 34.05 O ATOM 671 CB HIS A 45 6.877 21.835 -2.713 1.00 41.02 C ATOM 672 CG HIS A 45 8.140 22.629 -2.848 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.370 22.165 -2.427 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.360 23.861 -3.361 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.290 23.079 -2.675 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.705 24.117 -3.243 1.00 4.31 N ATOM 0 H HIS A 45 8.414 19.975 -3.996 1.00 30.01 H new ATOM 0 HA HIS A 45 5.528 20.643 -3.886 1.00 13.52 H new ATOM 0 HB2 HIS A 45 6.045 22.518 -2.542 1.00 41.02 H new ATOM 0 HB3 HIS A 45 6.951 21.196 -1.833 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.617 24.521 -3.784 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.343 22.992 -2.451 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.175 24.970 -3.545 1.00 4.31 H new ATOM 684 N GLY A 46 5.883 22.756 -5.425 1.00 15.53 N ATOM 685 CA GLY A 46 5.973 23.588 -6.610 1.00 51.15 C ATOM 686 C GLY A 46 4.697 24.361 -6.875 1.00 30.33 C ATOM 687 O GLY A 46 3.627 23.993 -6.389 1.00 1.11 O ATOM 0 H GLY A 46 5.112 22.985 -4.798 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.801 24.288 -6.497 1.00 51.15 H new ATOM 0 HA3 GLY A 46 6.201 22.962 -7.473 1.00 51.15 H new ATOM 691 N CYS A 47 4.807 25.437 -7.646 1.00 73.31 N ATOM 692 CA CYS A 47 3.654 26.266 -7.974 1.00 12.40 C ATOM 693 C CYS A 47 3.307 26.155 -9.456 1.00 61.22 C ATOM 694 O CYS A 47 4.127 26.460 -10.321 1.00 61.52 O ATOM 695 CB CYS A 47 3.930 27.726 -7.610 1.00 0.44 C ATOM 696 SG CYS A 47 3.448 28.175 -5.913 1.00 52.01 S ATOM 0 H CYS A 47 5.685 25.756 -8.056 1.00 73.31 H new ATOM 0 HA CYS A 47 2.804 25.908 -7.393 1.00 12.40 H new ATOM 0 HB2 CYS A 47 4.994 27.926 -7.739 1.00 0.44 H new ATOM 0 HB3 CYS A 47 3.397 28.370 -8.310 1.00 0.44 H new ATOM 701 N GLY A 48 2.085 25.717 -9.740 1.00 51.40 N ATOM 702 CA GLY A 48 1.651 25.573 -11.117 1.00 22.12 C ATOM 703 C GLY A 48 0.184 25.206 -11.227 1.00 74.05 C ATOM 704 O GLY A 48 -0.603 25.489 -10.323 1.00 74.34 O ATOM 0 H GLY A 48 1.388 25.459 -9.041 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.830 26.506 -11.651 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.252 24.806 -11.606 1.00 22.12 H new ATOM 708 N ARG A 49 -0.186 24.576 -12.338 1.00 34.44 N ATOM 709 CA ARG A 49 -1.568 24.173 -12.564 1.00 43.42 C ATOM 710 C ARG A 49 -1.639 22.740 -13.080 1.00 72.42 C ATOM 711 O ARG A 49 -1.364 22.476 -14.251 1.00 32.25 O ATOM 712 CB ARG A 49 -2.241 25.118 -13.561 1.00 63.11 C ATOM 713 CG ARG A 49 -2.140 26.586 -13.173 1.00 51.12 C ATOM 714 CD ARG A 49 -2.403 27.496 -14.363 1.00 22.53 C ATOM 715 NE ARG A 49 -1.480 27.236 -15.465 1.00 64.14 N ATOM 716 CZ ARG A 49 -0.204 27.601 -15.457 1.00 64.40 C ATOM 717 NH1 ARG A 49 0.300 28.238 -14.410 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 0.572 27.329 -16.499 1.00 63.11 N ATOM 0 H ARG A 49 0.453 24.334 -13.095 1.00 34.44 H new ATOM 0 HA ARG A 49 -2.095 24.225 -11.611 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.789 24.979 -14.543 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -3.293 24.847 -13.653 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -2.857 26.804 -12.381 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.148 26.790 -12.770 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -3.428 27.356 -14.707 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -2.311 28.536 -14.051 1.00 22.53 H new ATOM 0 HE ARG A 49 -1.836 26.747 -16.286 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -0.293 28.449 -13.607 1.00 71.52 H new ATOM 0 HH12 ARG A 49 1.281 28.517 -14.407 1.00 71.52 H new ATOM 0 HH21 ARG A 49 0.188 26.839 -17.307 1.00 63.11 H new ATOM 0 HH22 ARG A 49 1.553 27.610 -16.492 1.00 63.11 H new ATOM 732 N ILE A 50 -2.011 21.817 -12.199 1.00 45.20 N ATOM 733 CA ILE A 50 -2.117 20.410 -12.565 1.00 24.22 C ATOM 734 C ILE A 50 -3.576 19.996 -12.735 1.00 32.02 C ATOM 735 O ILE A 50 -3.906 18.812 -12.680 1.00 4.22 O ATOM 736 CB ILE A 50 -1.459 19.502 -11.509 1.00 43.24 C ATOM 737 CG1 ILE A 50 -2.019 19.809 -10.120 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.053 19.678 -11.529 1.00 11.30 C ATOM 739 CD1 ILE A 50 -1.675 18.759 -9.085 1.00 33.13 C ATOM 0 H ILE A 50 -2.244 22.019 -11.227 1.00 45.20 H new ATOM 0 HA ILE A 50 -1.593 20.290 -13.513 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.688 18.464 -11.749 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.637 20.774 -9.788 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -3.103 19.901 -10.186 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.505 19.030 -10.778 1.00 11.30 H new ATOM 0 HG22 ILE A 50 0.437 19.414 -12.514 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.301 20.716 -11.309 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.104 19.041 -8.124 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -2.081 17.796 -9.395 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -0.592 18.683 -8.990 1.00 33.13 H new ATOM 751 N TRP A 51 -4.442 20.980 -12.945 1.00 65.10 N ATOM 752 CA TRP A 51 -5.865 20.718 -13.128 1.00 64.31 C ATOM 753 C TRP A 51 -6.449 21.608 -14.219 1.00 21.13 C ATOM 754 O TRP A 51 -5.924 22.678 -14.527 1.00 63.40 O ATOM 755 CB TRP A 51 -6.618 20.942 -11.815 1.00 25.32 C ATOM 756 CG TRP A 51 -6.328 19.899 -10.778 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.783 20.103 -9.541 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.563 18.492 -10.889 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.667 18.905 -8.877 1.00 72.11 N ATOM 760 CE2 TRP A 51 -6.139 17.903 -9.682 1.00 35.13 C ATOM 761 CE3 TRP A 51 -7.094 17.673 -11.889 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -6.229 16.532 -9.451 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -7.181 16.313 -11.659 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.752 15.754 -10.447 1.00 32.35 C ATOM 0 H TRP A 51 -4.185 21.966 -12.993 1.00 65.10 H new ATOM 0 HA TRP A 51 -5.980 19.678 -13.434 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.356 21.922 -11.417 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.689 20.956 -12.017 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -5.487 21.063 -9.144 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -5.290 18.782 -7.937 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -7.430 18.095 -12.825 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.898 16.099 -8.519 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -7.586 15.670 -12.426 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -6.836 14.688 -10.297 1.00 32.35 H new ATOM 775 N PRO A 52 -7.560 21.159 -14.821 1.00 33.22 N ATOM 776 CA PRO A 52 -8.237 21.900 -15.889 1.00 11.42 C ATOM 777 C PRO A 52 -8.910 23.170 -15.375 1.00 61.34 C ATOM 778 O PRO A 52 -9.020 24.162 -16.096 1.00 42.35 O ATOM 779 CB PRO A 52 -9.286 20.908 -16.399 1.00 73.34 C ATOM 780 CG PRO A 52 -9.545 20.004 -15.245 1.00 72.40 C ATOM 781 CD PRO A 52 -8.241 19.892 -14.505 1.00 33.43 C ATOM 0 HA PRO A 52 -7.541 22.237 -16.657 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -10.196 21.420 -16.713 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -8.919 20.353 -17.262 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -10.326 20.408 -14.601 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -9.886 19.026 -15.584 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -8.396 19.776 -13.432 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -7.662 19.031 -14.838 1.00 33.43 H new ATOM 789 N LYS A 53 -9.359 23.132 -14.125 1.00 42.35 N ATOM 790 CA LYS A 53 -10.021 24.278 -13.513 1.00 54.32 C ATOM 791 C LYS A 53 -9.031 25.414 -13.277 1.00 33.53 C ATOM 792 O LYS A 53 -9.359 26.585 -13.464 1.00 74.30 O ATOM 793 CB LYS A 53 -10.674 23.871 -12.191 1.00 22.44 C ATOM 794 CG LYS A 53 -12.016 24.538 -11.944 1.00 55.12 C ATOM 795 CD LYS A 53 -12.790 23.838 -10.839 1.00 65.22 C ATOM 796 CE LYS A 53 -13.218 22.439 -11.258 1.00 22.10 C ATOM 797 NZ LYS A 53 -14.150 21.827 -10.270 1.00 32.33 N1+ ATOM 0 H LYS A 53 -9.276 22.319 -13.515 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.793 24.629 -14.197 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -10.808 22.789 -12.180 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -9.999 24.117 -11.371 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -11.860 25.583 -11.675 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -12.603 24.529 -12.863 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -12.172 23.778 -9.943 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -13.670 24.427 -10.581 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -13.701 22.484 -12.234 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -12.337 21.807 -11.367 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -14.760 21.135 -10.750 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -13.602 21.349 -9.526 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -14.739 22.570 -9.842 1.00 32.33 H new ATOM 811 N ASP A 54 -7.818 25.060 -12.866 1.00 52.15 N ATOM 812 CA ASP A 54 -6.779 26.050 -12.606 1.00 1.22 C ATOM 813 C ASP A 54 -6.137 26.516 -13.907 1.00 22.44 C ATOM 814 O ASP A 54 -5.659 27.647 -14.006 1.00 3.21 O ATOM 815 CB ASP A 54 -5.714 25.469 -11.674 1.00 23.13 C ATOM 816 CG ASP A 54 -6.313 24.805 -10.451 1.00 24.34 C ATOM 817 OD1 ASP A 54 -7.272 25.366 -9.882 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -5.822 23.724 -10.060 1.00 52.31 O ATOM 0 H ASP A 54 -7.530 24.095 -12.706 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.242 26.910 -12.123 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.115 24.742 -12.221 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -5.039 26.265 -11.358 1.00 23.13 H new ATOM 823 N LYS A 55 -6.125 25.639 -14.904 1.00 0.11 N ATOM 824 CA LYS A 55 -5.541 25.960 -16.201 1.00 71.30 C ATOM 825 C LYS A 55 -6.364 27.023 -16.922 1.00 30.04 C ATOM 826 O LYS A 55 -5.818 27.993 -17.446 1.00 33.44 O ATOM 827 CB LYS A 55 -5.446 24.702 -17.067 1.00 4.34 C ATOM 828 CG LYS A 55 -4.019 24.258 -17.341 1.00 61.13 C ATOM 829 CD LYS A 55 -3.885 22.745 -17.291 1.00 32.24 C ATOM 830 CE LYS A 55 -2.635 22.272 -18.017 1.00 73.20 C ATOM 831 NZ LYS A 55 -1.462 22.186 -17.104 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.514 24.698 -14.839 1.00 0.11 H new ATOM 0 HA LYS A 55 -4.539 26.354 -16.031 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -5.982 23.891 -16.574 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -5.949 24.886 -18.016 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -3.707 24.619 -18.321 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -3.350 24.708 -16.607 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -3.850 22.416 -16.252 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -4.765 22.286 -17.742 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -2.821 21.294 -18.462 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -2.409 22.956 -18.835 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -0.758 22.902 -17.375 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -1.771 22.356 -16.125 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -1.037 21.239 -17.173 1.00 23.02 H new ATOM 845 N ARG A 56 -7.679 26.834 -16.939 1.00 42.23 N ATOM 846 CA ARG A 56 -8.578 27.778 -17.595 1.00 60.15 C ATOM 847 C ARG A 56 -8.430 29.174 -16.996 1.00 33.12 C ATOM 848 O ARG A 56 -8.763 30.171 -17.635 1.00 23.12 O ATOM 849 CB ARG A 56 -10.027 27.307 -17.466 1.00 63.23 C ATOM 850 CG ARG A 56 -10.518 27.226 -16.030 1.00 4.43 C ATOM 851 CD ARG A 56 -11.985 27.607 -15.918 1.00 71.40 C ATOM 852 NE ARG A 56 -12.811 26.889 -16.884 1.00 11.52 N ATOM 853 CZ ARG A 56 -13.266 25.655 -16.690 1.00 41.21 C ATOM 854 NH1 ARG A 56 -12.974 25.008 -15.570 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -14.012 25.068 -17.615 1.00 63.40 N ATOM 0 H ARG A 56 -8.146 26.037 -16.507 1.00 42.23 H new ATOM 0 HA ARG A 56 -8.311 27.824 -18.651 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -10.672 27.987 -18.023 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -10.123 26.325 -17.929 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -10.375 26.214 -15.652 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -9.921 27.888 -15.403 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -12.339 27.394 -14.909 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -12.094 28.680 -16.074 1.00 71.40 H new ATOM 0 HE ARG A 56 -13.052 27.360 -17.756 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -12.400 25.457 -14.856 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -13.324 24.061 -15.422 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -14.238 25.563 -18.478 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -14.360 24.121 -17.464 1.00 63.40 H new ATOM 869 N GLU A 57 -7.929 29.235 -15.765 1.00 1.14 N ATOM 870 CA GLU A 57 -7.739 30.508 -15.082 1.00 73.50 C ATOM 871 C GLU A 57 -6.331 31.046 -15.314 1.00 75.12 C ATOM 872 O GLU A 57 -6.081 32.246 -15.184 1.00 65.11 O ATOM 873 CB GLU A 57 -7.996 30.349 -13.581 1.00 24.12 C ATOM 874 CG GLU A 57 -9.462 30.169 -13.229 1.00 62.23 C ATOM 875 CD GLU A 57 -9.741 30.396 -11.756 1.00 4.11 C ATOM 876 OE1 GLU A 57 -8.886 30.022 -10.926 1.00 34.10 O1- ATOM 877 OE2 GLU A 57 -10.814 30.947 -11.435 1.00 2.34 O ATOM 0 H GLU A 57 -7.648 28.418 -15.222 1.00 1.14 H new ATOM 0 HA GLU A 57 -8.453 31.222 -15.493 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -7.435 29.489 -13.214 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -7.611 31.226 -13.060 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.061 30.862 -13.819 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -9.777 29.162 -13.503 1.00 62.23 H new ATOM 884 N LYS A 58 -5.412 30.151 -15.661 1.00 50.53 N ATOM 885 CA LYS A 58 -4.027 30.533 -15.913 1.00 42.02 C ATOM 886 C LYS A 58 -3.415 31.203 -14.686 1.00 73.23 C ATOM 887 O LYS A 58 -2.828 32.281 -14.782 1.00 73.04 O ATOM 888 CB LYS A 58 -3.948 31.477 -17.115 1.00 61.50 C ATOM 889 CG LYS A 58 -4.397 30.840 -18.418 1.00 44.31 C ATOM 890 CD LYS A 58 -3.224 30.256 -19.187 1.00 22.35 C ATOM 891 CE LYS A 58 -2.971 28.807 -18.800 1.00 42.41 C ATOM 892 NZ LYS A 58 -1.955 28.166 -19.682 1.00 3.31 N1+ ATOM 0 H LYS A 58 -5.601 29.155 -15.774 1.00 50.53 H new ATOM 0 HA LYS A 58 -3.460 29.628 -16.131 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -4.564 32.355 -16.918 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -2.921 31.826 -17.226 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -5.123 30.054 -18.209 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -4.902 31.585 -19.033 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -3.421 30.319 -20.257 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -2.329 30.847 -18.993 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -2.634 28.761 -17.765 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -3.905 28.248 -18.856 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -1.811 27.180 -19.386 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -2.288 28.187 -20.667 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -1.056 28.684 -19.610 1.00 3.31 H new ATOM 906 N VAL A 59 -3.554 30.557 -13.534 1.00 2.35 N ATOM 907 CA VAL A 59 -3.013 31.088 -12.289 1.00 3.13 C ATOM 908 C VAL A 59 -2.205 30.031 -11.544 1.00 32.04 C ATOM 909 O VAL A 59 -2.701 28.940 -11.262 1.00 24.43 O ATOM 910 CB VAL A 59 -4.133 31.606 -11.365 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.136 30.501 -11.070 1.00 75.04 C ATOM 912 CG2 VAL A 59 -3.545 32.164 -10.077 1.00 61.33 C ATOM 0 H VAL A 59 -4.037 29.664 -13.437 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.360 31.918 -12.558 1.00 3.13 H new ATOM 0 HB VAL A 59 -4.659 32.413 -11.876 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -5.919 30.885 -10.416 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -5.580 30.154 -12.003 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -4.629 29.671 -10.579 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -4.349 32.525 -9.436 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -2.993 31.379 -9.559 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -2.871 32.987 -10.312 1.00 61.33 H new ATOM 922 N ASP A 60 -0.958 30.361 -11.229 1.00 14.15 N ATOM 923 CA ASP A 60 -0.080 29.440 -10.516 1.00 22.51 C ATOM 924 C ASP A 60 -0.646 29.106 -9.139 1.00 13.20 C ATOM 925 O ASP A 60 -0.829 29.989 -8.301 1.00 44.21 O ATOM 926 CB ASP A 60 1.318 30.043 -10.373 1.00 60.44 C ATOM 927 CG ASP A 60 1.791 30.718 -11.646 1.00 44.41 C ATOM 928 OD1 ASP A 60 1.429 30.240 -12.742 1.00 43.53 O1- ATOM 929 OD2 ASP A 60 2.522 31.725 -11.545 1.00 45.21 O ATOM 0 H ASP A 60 -0.532 31.259 -11.456 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.013 28.519 -11.095 1.00 22.51 H new ATOM 0 HB2 ASP A 60 1.316 30.769 -9.560 1.00 60.44 H new ATOM 0 HB3 ASP A 60 2.023 29.258 -10.098 1.00 60.44 H new ATOM 934 N ARG A 61 -0.923 27.826 -8.913 1.00 3.03 N ATOM 935 CA ARG A 61 -1.471 27.376 -7.640 1.00 14.00 C ATOM 936 C ARG A 61 -0.559 26.337 -6.993 1.00 1.23 C ATOM 937 O ARG A 61 0.100 25.558 -7.683 1.00 63.34 O ATOM 938 CB ARG A 61 -2.869 26.787 -7.841 1.00 5.22 C ATOM 939 CG ARG A 61 -3.848 27.751 -8.490 1.00 53.15 C ATOM 940 CD ARG A 61 -4.795 28.358 -7.467 1.00 54.13 C ATOM 941 NE ARG A 61 -6.127 28.587 -8.020 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.173 28.957 -7.291 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.042 29.140 -5.984 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.353 29.145 -7.867 1.00 12.20 N ATOM 0 H ARG A 61 -0.777 27.082 -9.596 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.539 28.239 -6.977 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -2.792 25.891 -8.457 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.265 26.476 -6.875 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.298 28.546 -8.994 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -4.423 27.228 -9.254 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.870 27.695 -6.605 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -4.384 29.302 -7.109 1.00 54.13 H new ATOM 0 HE ARG A 61 -6.261 28.455 -9.023 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -6.136 28.996 -5.537 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -7.847 29.424 -5.426 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -8.458 29.005 -8.872 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -9.155 29.429 -7.305 1.00 12.20 H new ATOM 958 N CYS A 62 -0.527 26.333 -5.664 1.00 42.04 N ATOM 959 CA CYS A 62 0.305 25.392 -4.923 1.00 0.35 C ATOM 960 C CYS A 62 -0.165 23.957 -5.147 1.00 41.03 C ATOM 961 O CYS A 62 -1.352 23.655 -5.021 1.00 41.35 O ATOM 962 CB CYS A 62 0.279 25.721 -3.430 1.00 62.15 C ATOM 963 SG CYS A 62 1.057 24.458 -2.374 1.00 73.51 S ATOM 0 H CYS A 62 -1.067 26.970 -5.079 1.00 42.04 H new ATOM 0 HA CYS A 62 1.327 25.483 -5.290 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.784 26.673 -3.270 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.757 25.853 -3.116 1.00 62.15 H new ATOM 968 N TYR A 63 0.773 23.079 -5.479 1.00 45.52 N ATOM 969 CA TYR A 63 0.457 21.676 -5.721 1.00 14.20 C ATOM 970 C TYR A 63 1.491 20.762 -5.072 1.00 21.05 C ATOM 971 O TYR A 63 2.652 21.139 -4.910 1.00 3.33 O ATOM 972 CB TYR A 63 0.387 21.400 -7.225 1.00 45.41 C ATOM 973 CG TYR A 63 1.741 21.391 -7.901 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.506 20.233 -7.950 1.00 1.01 C ATOM 975 CD2 TYR A 63 2.253 22.540 -8.489 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.742 20.220 -8.567 1.00 53.34 C ATOM 977 CE2 TYR A 63 3.487 22.536 -9.109 1.00 13.22 C ATOM 978 CZ TYR A 63 4.228 21.375 -9.145 1.00 70.24 C ATOM 979 OH TYR A 63 5.460 21.367 -9.759 1.00 43.32 O ATOM 0 H TYR A 63 1.760 23.313 -5.587 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.515 21.467 -5.273 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.098 20.437 -7.387 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.241 22.156 -7.696 1.00 45.41 H new ATOM 0 HD1 TYR A 63 2.128 19.328 -7.498 1.00 1.01 H new ATOM 0 HD2 TYR A 63 1.676 23.453 -8.461 1.00 72.13 H new ATOM 0 HE1 TYR A 63 4.325 19.311 -8.597 1.00 53.34 H new ATOM 0 HE2 TYR A 63 3.869 23.438 -9.563 1.00 13.22 H new ATOM 0 HH TYR A 63 5.654 22.259 -10.116 1.00 43.32 H new ATOM 989 N ILE A 64 1.060 19.561 -4.704 1.00 55.33 N ATOM 990 CA ILE A 64 1.949 18.593 -4.074 1.00 5.43 C ATOM 991 C ILE A 64 1.652 17.177 -4.558 1.00 12.54 C ATOM 992 O ILE A 64 0.547 16.664 -4.371 1.00 4.15 O ATOM 993 CB ILE A 64 1.829 18.634 -2.538 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.201 20.021 -2.013 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.714 17.568 -1.909 1.00 44.01 C ATOM 996 CD1 ILE A 64 2.045 20.162 -0.515 1.00 11.12 C ATOM 0 H ILE A 64 0.102 19.235 -4.831 1.00 55.33 H new ATOM 0 HA ILE A 64 2.965 18.866 -4.359 1.00 5.43 H new ATOM 0 HB ILE A 64 0.795 18.428 -2.263 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.234 20.238 -2.285 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.578 20.767 -2.507 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.618 17.610 -0.824 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.406 16.584 -2.263 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.752 17.746 -2.189 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.326 21.171 -0.213 1.00 11.12 H new ATOM 0 HD12 ILE A 64 1.007 19.977 -0.238 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.689 19.440 -0.013 1.00 11.12 H new ATOM 1008 N CYS A 65 2.645 16.550 -5.180 1.00 21.21 N ATOM 1009 CA CYS A 65 2.490 15.193 -5.690 1.00 73.21 C ATOM 1010 C CYS A 65 3.525 14.258 -5.070 1.00 10.41 C ATOM 1011 O CYS A 65 4.547 14.704 -4.550 1.00 53.41 O ATOM 1012 CB CYS A 65 2.626 15.180 -7.215 1.00 24.12 C ATOM 1013 SG CYS A 65 1.325 16.113 -8.083 1.00 3.43 S ATOM 0 H CYS A 65 3.565 16.960 -5.343 1.00 21.21 H new ATOM 0 HA CYS A 65 1.496 14.840 -5.417 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.597 15.593 -7.486 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.611 14.147 -7.562 1.00 24.12 H new ATOM 1018 N ASN A 66 3.250 12.959 -5.128 1.00 44.32 N ATOM 1019 CA ASN A 66 4.157 11.960 -4.572 1.00 53.41 C ATOM 1020 C ASN A 66 5.355 11.741 -5.490 1.00 40.54 C ATOM 1021 O ASN A 66 5.342 12.149 -6.651 1.00 42.44 O ATOM 1022 CB ASN A 66 3.419 10.638 -4.351 1.00 4.34 C ATOM 1023 CG ASN A 66 2.890 10.050 -5.645 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.834 10.727 -6.671 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.501 8.780 -5.600 1.00 12.22 N ATOM 0 H ASN A 66 2.407 12.573 -5.554 1.00 44.32 H new ATOM 0 HA ASN A 66 4.521 12.329 -3.613 1.00 53.41 H new ATOM 0 HB2 ASN A 66 4.093 9.923 -3.879 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.590 10.798 -3.662 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.138 8.328 -6.439 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.566 8.257 -4.726 1.00 12.22 H new ATOM 1032 N ASN A 67 6.388 11.093 -4.963 1.00 11.55 N ATOM 1033 CA ASN A 67 7.594 10.818 -5.735 1.00 15.23 C ATOM 1034 C ASN A 67 7.267 10.005 -6.983 1.00 64.24 C ATOM 1035 O ASN A 67 7.945 10.116 -8.003 1.00 61.44 O ATOM 1036 CB ASN A 67 8.616 10.069 -4.876 1.00 20.14 C ATOM 1037 CG ASN A 67 8.156 8.666 -4.526 1.00 74.45 C ATOM 1038 OD1 ASN A 67 6.964 8.418 -4.345 1.00 73.43 O ATOM 1039 ND2 ASN A 67 9.104 7.741 -4.426 1.00 24.13 N ATOM 0 H ASN A 67 6.414 10.748 -4.003 1.00 11.55 H new ATOM 0 HA ASN A 67 8.021 11.771 -6.046 1.00 15.23 H new ATOM 0 HB2 ASN A 67 9.565 10.015 -5.409 1.00 20.14 H new ATOM 0 HB3 ASN A 67 8.796 10.629 -3.959 1.00 20.14 H new ATOM 0 HD21 ASN A 67 8.856 6.780 -4.191 1.00 24.13 H new ATOM 0 HD22 ASN A 67 10.080 7.992 -4.585 1.00 24.13 H new ATOM 1046 N GLU A 68 6.223 9.188 -6.894 1.00 2.34 N ATOM 1047 CA GLU A 68 5.806 8.355 -8.016 1.00 64.21 C ATOM 1048 C GLU A 68 5.029 9.175 -9.042 1.00 23.15 C ATOM 1049 O GLU A 68 4.744 8.703 -10.143 1.00 62.10 O ATOM 1050 CB GLU A 68 4.947 7.188 -7.523 1.00 13.03 C ATOM 1051 CG GLU A 68 5.545 6.450 -6.336 1.00 32.42 C ATOM 1052 CD GLU A 68 5.093 5.006 -6.261 1.00 43.55 C ATOM 1053 OE1 GLU A 68 3.889 4.771 -6.028 1.00 12.11 O ATOM 1054 OE2 GLU A 68 5.945 4.109 -6.433 1.00 63.23 O1- ATOM 0 H GLU A 68 5.650 9.085 -6.056 1.00 2.34 H new ATOM 0 HA GLU A 68 6.702 7.960 -8.495 1.00 64.21 H new ATOM 0 HB2 GLU A 68 3.962 7.564 -7.247 1.00 13.03 H new ATOM 0 HB3 GLU A 68 4.801 6.484 -8.342 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.632 6.484 -6.402 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.266 6.963 -5.416 1.00 32.42 H new ATOM 1061 N LYS A 69 4.689 10.405 -8.673 1.00 71.44 N ATOM 1062 CA LYS A 69 3.946 11.292 -9.560 1.00 40.30 C ATOM 1063 C LYS A 69 2.681 10.613 -10.074 1.00 12.13 C ATOM 1064 O LYS A 69 2.212 10.900 -11.176 1.00 32.33 O ATOM 1065 CB LYS A 69 4.823 11.719 -10.739 1.00 41.01 C ATOM 1066 CG LYS A 69 5.753 12.875 -10.417 1.00 21.00 C ATOM 1067 CD LYS A 69 6.869 12.995 -11.442 1.00 71.15 C ATOM 1068 CE LYS A 69 8.186 12.464 -10.895 1.00 4.11 C ATOM 1069 NZ LYS A 69 8.433 11.057 -11.313 1.00 61.00 N1+ ATOM 0 H LYS A 69 4.916 10.811 -7.765 1.00 71.44 H new ATOM 0 HA LYS A 69 3.657 12.175 -8.991 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.417 10.866 -11.067 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.182 12.001 -11.574 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.184 13.804 -10.387 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.182 12.732 -9.425 1.00 21.00 H new ATOM 0 HD2 LYS A 69 6.599 12.443 -12.342 1.00 71.15 H new ATOM 0 HD3 LYS A 69 6.988 14.039 -11.731 1.00 71.15 H new ATOM 0 HE2 LYS A 69 9.004 13.095 -11.242 1.00 4.11 H new ATOM 0 HE3 LYS A 69 8.177 12.523 -9.807 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 9.340 10.732 -10.920 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 7.666 10.450 -10.960 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 8.467 11.004 -12.351 1.00 61.00 H new ATOM 1083 N THR A 70 2.129 9.711 -9.267 1.00 30.31 N ATOM 1084 CA THR A 70 0.918 8.992 -9.641 1.00 22.31 C ATOM 1085 C THR A 70 -0.311 9.604 -8.978 1.00 43.33 C ATOM 1086 O THR A 70 -1.416 9.542 -9.519 1.00 43.31 O ATOM 1087 CB THR A 70 1.007 7.503 -9.255 1.00 53.45 C ATOM 1088 OG1 THR A 70 1.031 7.367 -7.829 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.252 6.863 -9.851 1.00 43.40 C ATOM 0 H THR A 70 2.502 9.462 -8.351 1.00 30.31 H new ATOM 0 HA THR A 70 0.823 9.074 -10.724 1.00 22.31 H new ATOM 0 HB THR A 70 0.129 6.994 -9.654 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.086 6.418 -7.592 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.293 5.812 -9.565 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.217 6.942 -10.938 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.139 7.376 -9.478 1.00 43.40 H new ATOM 1097 N LEU A 71 -0.112 10.195 -7.806 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.205 10.820 -7.068 1.00 63.21 C ATOM 1099 C LEU A 71 -0.897 12.286 -6.777 1.00 74.32 C ATOM 1100 O LEU A 71 0.254 12.654 -6.540 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.458 10.070 -5.760 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.864 10.200 -5.174 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.767 9.094 -5.699 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -2.813 10.171 -3.652 1.00 23.13 C ATOM 0 H LEU A 71 0.796 10.255 -7.345 1.00 55.15 H new ATOM 0 HA LEU A 71 -2.102 10.772 -7.685 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.251 9.013 -5.925 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.742 10.423 -5.018 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.279 11.158 -5.486 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.763 9.204 -5.271 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -3.830 9.160 -6.785 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -3.356 8.124 -5.418 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -3.823 10.265 -3.252 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.377 9.228 -3.320 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -2.202 10.999 -3.293 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.934 13.117 -6.795 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.777 14.542 -6.531 1.00 32.24 C ATOM 1118 C CYS A 72 -2.997 15.098 -5.803 1.00 44.23 C ATOM 1119 O CYS A 72 -4.053 14.468 -5.766 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.557 15.304 -7.839 1.00 15.44 C ATOM 1121 SG CYS A 72 -0.050 14.818 -8.739 1.00 43.01 S ATOM 0 H CYS A 72 -2.892 12.828 -6.990 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.904 14.673 -5.892 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.420 15.149 -8.487 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.509 16.371 -7.622 1.00 15.44 H new ATOM 1126 N THR A 73 -2.843 16.286 -5.226 1.00 61.13 N ATOM 1127 CA THR A 73 -3.931 16.928 -4.498 1.00 22.22 C ATOM 1128 C THR A 73 -5.140 17.150 -5.401 1.00 44.15 C ATOM 1129 O THR A 73 -4.997 17.510 -6.569 1.00 61.12 O ATOM 1130 CB THR A 73 -3.491 18.281 -3.908 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.478 18.870 -4.731 1.00 31.14 O ATOM 1132 CG2 THR A 73 -2.961 18.106 -2.492 1.00 55.11 C ATOM 0 H THR A 73 -1.976 16.823 -5.249 1.00 61.13 H new ATOM 0 HA THR A 73 -4.206 16.257 -3.684 1.00 22.22 H new ATOM 0 HB THR A 73 -4.360 18.938 -3.877 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.206 19.730 -4.349 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.656 19.074 -2.095 1.00 55.11 H new ATOM 0 HG22 THR A 73 -3.743 17.685 -1.860 1.00 55.11 H new ATOM 0 HG23 THR A 73 -2.104 17.433 -2.505 1.00 55.11 H new ATOM 1140 N SER A 74 -6.331 16.934 -4.851 1.00 30.10 N ATOM 1141 CA SER A 74 -7.566 17.109 -5.608 1.00 62.43 C ATOM 1142 C SER A 74 -7.638 18.507 -6.215 1.00 35.40 C ATOM 1143 O SER A 74 -6.842 19.383 -5.880 1.00 60.23 O ATOM 1144 CB SER A 74 -8.778 16.868 -4.707 1.00 23.42 C ATOM 1145 OG SER A 74 -9.987 16.999 -5.434 1.00 21.12 O ATOM 0 H SER A 74 -6.467 16.638 -3.885 1.00 30.10 H new ATOM 0 HA SER A 74 -7.574 16.380 -6.418 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.718 15.871 -4.271 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.768 17.579 -3.881 1.00 23.42 H new ATOM 0 HG SER A 74 -10.747 16.839 -4.836 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.600 18.706 -7.110 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.778 19.998 -7.764 1.00 11.13 C ATOM 1153 C VAL A 75 -9.598 20.944 -6.896 1.00 25.41 C ATOM 1154 O VAL A 75 -9.473 22.165 -7.001 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.470 19.843 -9.131 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.893 19.332 -8.955 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.460 21.163 -9.886 1.00 0.01 C ATOM 0 H VAL A 75 -9.267 17.991 -7.399 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.783 20.418 -7.914 1.00 11.13 H new ATOM 0 HB VAL A 75 -8.916 19.110 -9.718 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.366 19.229 -9.932 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.872 18.362 -8.457 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.461 20.038 -8.350 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -9.953 21.035 -10.850 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -9.989 21.918 -9.305 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.430 21.483 -10.045 1.00 0.01 H new ATOM 1167 N MET A 76 -10.437 20.375 -6.037 1.00 43.31 N ATOM 1168 CA MET A 76 -11.277 21.168 -5.148 1.00 43.13 C ATOM 1169 C MET A 76 -11.375 20.522 -3.770 1.00 51.03 C ATOM 1170 O MET A 76 -11.946 19.442 -3.618 1.00 70.34 O ATOM 1171 CB MET A 76 -12.676 21.335 -5.746 1.00 71.42 C ATOM 1172 CG MET A 76 -12.725 22.302 -6.918 1.00 32.35 C ATOM 1173 SD MET A 76 -12.716 24.028 -6.394 1.00 71.52 S ATOM 1174 CE MET A 76 -14.473 24.349 -6.256 1.00 75.53 C ATOM 0 H MET A 76 -10.553 19.366 -5.938 1.00 43.31 H new ATOM 0 HA MET A 76 -10.817 22.150 -5.037 1.00 43.13 H new ATOM 0 HB2 MET A 76 -13.041 20.361 -6.073 1.00 71.42 H new ATOM 0 HB3 MET A 76 -13.355 21.685 -4.968 1.00 71.42 H new ATOM 0 HG2 MET A 76 -11.871 22.120 -7.571 1.00 32.35 H new ATOM 0 HG3 MET A 76 -13.622 22.109 -7.506 1.00 32.35 H new ATOM 0 HE1 MET A 76 -14.631 25.380 -5.939 1.00 75.53 H new ATOM 0 HE2 MET A 76 -14.949 24.190 -7.224 1.00 75.53 H new ATOM 0 HE3 MET A 76 -14.910 23.673 -5.521 1.00 75.53 H new TER 1184 MET A 76