USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 THR OG1 : rot -175:sc= 0.565 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.213 K(o=-0.21,f=-0.95) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.5) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -2.03 X(o=-2,f=-2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc=-0.00279 (180deg=-0.158) USER MOD Single : A 21 THR OG1 : rot -65:sc= 1.04 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0431 X(o=-0.043,f=-0.22) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -5.37! C(o=-5.4!,f=-5.9!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 5.979 -3.762 -9.051 1.00 0.00 N ATOM 2 CA THR A 4 5.119 -3.213 -7.966 1.00 0.00 C ATOM 3 C THR A 4 5.374 -1.710 -7.826 1.00 0.00 C ATOM 4 O THR A 4 5.602 -1.019 -8.799 1.00 0.00 O ATOM 5 CB THR A 4 5.454 -3.921 -6.654 1.00 0.00 C ATOM 6 OG1 THR A 4 6.791 -3.617 -6.288 1.00 0.00 O ATOM 7 CG2 THR A 4 5.298 -5.432 -6.837 1.00 0.00 C ATOM 0 HA THR A 4 4.069 -3.376 -8.208 1.00 0.00 H new ATOM 0 HB THR A 4 4.777 -3.583 -5.869 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.037 -4.131 -5.490 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.537 -5.938 -5.902 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.271 -5.660 -7.121 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.975 -5.776 -7.619 1.00 0.00 H new ATOM 17 N ILE A 5 5.332 -1.195 -6.628 1.00 0.00 N ATOM 18 CA ILE A 5 5.566 0.264 -6.438 1.00 0.00 C ATOM 19 C ILE A 5 6.757 0.476 -5.502 1.00 0.00 C ATOM 20 O ILE A 5 7.313 -0.462 -4.965 1.00 0.00 O ATOM 21 CB ILE A 5 4.325 0.906 -5.815 1.00 0.00 C ATOM 22 CG1 ILE A 5 3.070 0.141 -6.243 1.00 0.00 C ATOM 23 CG2 ILE A 5 4.213 2.358 -6.277 1.00 0.00 C ATOM 24 CD1 ILE A 5 1.866 0.666 -5.459 1.00 0.00 C ATOM 0 H ILE A 5 5.146 -1.721 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 5 5.772 0.721 -7.406 1.00 0.00 H new ATOM 0 HB ILE A 5 4.415 0.872 -4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.903 0.263 -7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.200 -0.926 -6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.328 2.814 -5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.101 2.908 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.130 2.389 -7.363 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.970 0.123 -5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.035 0.521 -4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.733 1.728 -5.664 1.00 0.00 H new ATOM 36 N SER A 6 7.143 1.705 -5.291 1.00 0.00 N ATOM 37 CA SER A 6 8.285 1.984 -4.379 1.00 0.00 C ATOM 38 C SER A 6 7.770 2.772 -3.176 1.00 0.00 C ATOM 39 O SER A 6 7.279 3.875 -3.312 1.00 0.00 O ATOM 40 CB SER A 6 9.341 2.809 -5.113 1.00 0.00 C ATOM 41 OG SER A 6 10.632 2.419 -4.666 1.00 0.00 O ATOM 0 H SER A 6 6.714 2.529 -5.713 1.00 0.00 H new ATOM 0 HA SER A 6 8.732 1.046 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.255 2.658 -6.189 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.184 3.871 -4.927 1.00 0.00 H new ATOM 0 HG SER A 6 11.313 2.944 -5.135 1.00 0.00 H new ATOM 47 N CYS A 7 7.860 2.218 -1.998 1.00 0.00 N ATOM 48 CA CYS A 7 7.352 2.953 -0.807 1.00 0.00 C ATOM 49 C CYS A 7 8.043 2.465 0.466 1.00 0.00 C ATOM 50 O CYS A 7 7.852 1.346 0.899 1.00 0.00 O ATOM 51 CB CYS A 7 5.847 2.713 -0.677 1.00 0.00 C ATOM 52 SG CYS A 7 5.534 0.934 -0.531 1.00 0.00 S ATOM 0 H CYS A 7 8.259 1.298 -1.810 1.00 0.00 H new ATOM 0 HA CYS A 7 7.561 4.015 -0.936 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.458 3.235 0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.327 3.115 -1.546 1.00 0.00 H new ATOM 57 N THR A 8 8.821 3.310 1.088 1.00 0.00 N ATOM 58 CA THR A 8 9.494 2.909 2.356 1.00 0.00 C ATOM 59 C THR A 8 8.515 3.137 3.508 1.00 0.00 C ATOM 60 O THR A 8 8.685 2.628 4.597 1.00 0.00 O ATOM 61 CB THR A 8 10.741 3.768 2.582 1.00 0.00 C ATOM 62 OG1 THR A 8 10.348 5.055 3.040 1.00 0.00 O ATOM 63 CG2 THR A 8 11.519 3.910 1.274 1.00 0.00 C ATOM 0 H THR A 8 9.019 4.260 0.773 1.00 0.00 H new ATOM 0 HA THR A 8 9.791 1.862 2.302 1.00 0.00 H new ATOM 0 HB THR A 8 11.377 3.290 3.327 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.144 5.607 3.187 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.405 4.522 1.442 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.821 2.924 0.921 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.887 4.385 0.524 1.00 0.00 H new ATOM 71 N ASN A 9 7.490 3.911 3.266 1.00 0.00 N ATOM 72 CA ASN A 9 6.489 4.194 4.331 1.00 0.00 C ATOM 73 C ASN A 9 5.093 3.807 3.828 1.00 0.00 C ATOM 74 O ASN A 9 4.922 3.490 2.667 1.00 0.00 O ATOM 75 CB ASN A 9 6.518 5.690 4.653 1.00 0.00 C ATOM 76 CG ASN A 9 7.309 5.923 5.943 1.00 0.00 C ATOM 77 OD1 ASN A 9 8.164 5.136 6.296 1.00 0.00 O ATOM 78 ND2 ASN A 9 7.059 6.982 6.662 1.00 0.00 N ATOM 0 H ASN A 9 7.304 4.361 2.370 1.00 0.00 H new ATOM 0 HA ASN A 9 6.724 3.619 5.226 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.974 6.240 3.830 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.502 6.068 4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.582 7.150 7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.341 7.642 6.365 1.00 0.00 H new ATOM 85 N PRO A 10 4.135 3.845 4.718 1.00 0.00 N ATOM 86 CA PRO A 10 2.736 3.504 4.396 1.00 0.00 C ATOM 87 C PRO A 10 2.041 4.665 3.675 1.00 0.00 C ATOM 88 O PRO A 10 1.125 4.473 2.904 1.00 0.00 O ATOM 89 CB PRO A 10 2.101 3.268 5.766 1.00 0.00 C ATOM 90 CG PRO A 10 2.981 4.019 6.793 1.00 0.00 C ATOM 91 CD PRO A 10 4.355 4.226 6.129 1.00 0.00 C ATOM 0 HA PRO A 10 2.654 2.644 3.731 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.076 3.639 5.788 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.059 2.203 5.996 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.532 4.976 7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.079 3.444 7.714 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.688 5.260 6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.120 3.605 6.595 1.00 0.00 H new ATOM 99 N LYS A 11 2.466 5.869 3.933 1.00 0.00 N ATOM 100 CA LYS A 11 1.829 7.045 3.275 1.00 0.00 C ATOM 101 C LYS A 11 1.639 6.765 1.783 1.00 0.00 C ATOM 102 O LYS A 11 0.765 7.318 1.144 1.00 0.00 O ATOM 103 CB LYS A 11 2.720 8.275 3.454 1.00 0.00 C ATOM 104 CG LYS A 11 2.342 8.996 4.750 1.00 0.00 C ATOM 105 CD LYS A 11 3.588 9.175 5.619 1.00 0.00 C ATOM 106 CE LYS A 11 3.321 10.242 6.682 1.00 0.00 C ATOM 107 NZ LYS A 11 2.959 9.582 7.969 1.00 0.00 N ATOM 0 H LYS A 11 3.229 6.091 4.573 1.00 0.00 H new ATOM 0 HA LYS A 11 0.857 7.229 3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.768 7.977 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.604 8.948 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.902 9.967 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.588 8.423 5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.851 8.230 6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.437 9.467 5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.205 10.865 6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.514 10.899 6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.777 10.307 8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.104 9.005 7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.743 8.973 8.279 1.00 0.00 H new ATOM 121 N GLN A 12 2.449 5.913 1.220 1.00 0.00 N ATOM 122 CA GLN A 12 2.310 5.604 -0.235 1.00 0.00 C ATOM 123 C GLN A 12 1.110 4.675 -0.446 1.00 0.00 C ATOM 124 O GLN A 12 0.310 4.865 -1.346 1.00 0.00 O ATOM 125 CB GLN A 12 3.584 4.920 -0.739 1.00 0.00 C ATOM 126 CG GLN A 12 4.770 5.879 -0.604 1.00 0.00 C ATOM 127 CD GLN A 12 4.405 7.236 -1.211 1.00 0.00 C ATOM 128 OE1 GLN A 12 4.469 7.416 -2.411 1.00 0.00 O ATOM 129 NE2 GLN A 12 4.023 8.208 -0.426 1.00 0.00 N ATOM 0 H GLN A 12 3.200 5.417 1.700 1.00 0.00 H new ATOM 0 HA GLN A 12 2.155 6.529 -0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.771 4.011 -0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.461 4.622 -1.780 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.036 5.999 0.446 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.643 5.467 -1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.969 8.058 0.582 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.779 9.116 -0.821 1.00 0.00 H new ATOM 138 N CYS A 13 0.978 3.673 0.377 1.00 0.00 N ATOM 139 CA CYS A 13 -0.166 2.732 0.228 1.00 0.00 C ATOM 140 C CYS A 13 -1.434 3.366 0.803 1.00 0.00 C ATOM 141 O CYS A 13 -2.519 2.838 0.659 1.00 0.00 O ATOM 142 CB CYS A 13 0.138 1.437 0.982 1.00 0.00 C ATOM 143 SG CYS A 13 1.456 0.537 0.132 1.00 0.00 S ATOM 0 H CYS A 13 1.614 3.465 1.147 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.317 2.514 -0.829 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.439 1.662 2.005 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.758 0.820 1.041 1.00 0.00 H new ATOM 148 N TYR A 14 -1.315 4.490 1.456 1.00 0.00 N ATOM 149 CA TYR A 14 -2.517 5.139 2.031 1.00 0.00 C ATOM 150 C TYR A 14 -3.446 5.587 0.894 1.00 0.00 C ATOM 151 O TYR A 14 -4.592 5.185 0.846 1.00 0.00 O ATOM 152 CB TYR A 14 -2.086 6.333 2.881 1.00 0.00 C ATOM 153 CG TYR A 14 -2.103 5.949 4.341 1.00 0.00 C ATOM 154 CD1 TYR A 14 -1.793 4.638 4.724 1.00 0.00 C ATOM 155 CD2 TYR A 14 -2.426 6.905 5.312 1.00 0.00 C ATOM 156 CE1 TYR A 14 -1.804 4.283 6.077 1.00 0.00 C ATOM 157 CE2 TYR A 14 -2.438 6.548 6.666 1.00 0.00 C ATOM 158 CZ TYR A 14 -2.127 5.238 7.047 1.00 0.00 C ATOM 159 OH TYR A 14 -2.136 4.886 8.382 1.00 0.00 O ATOM 0 H TYR A 14 -0.436 4.983 1.614 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.057 4.435 2.665 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.086 6.656 2.591 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.756 7.175 2.709 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.545 3.901 3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.665 7.916 5.017 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.563 3.272 6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.687 7.284 7.416 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.379 5.665 8.924 1.00 0.00 H new ATOM 169 N PRO A 15 -2.921 6.389 -0.003 1.00 0.00 N ATOM 170 CA PRO A 15 -3.686 6.879 -1.162 1.00 0.00 C ATOM 171 C PRO A 15 -3.825 5.794 -2.234 1.00 0.00 C ATOM 172 O PRO A 15 -4.881 5.607 -2.808 1.00 0.00 O ATOM 173 CB PRO A 15 -2.858 8.061 -1.671 1.00 0.00 C ATOM 174 CG PRO A 15 -1.425 7.892 -1.110 1.00 0.00 C ATOM 175 CD PRO A 15 -1.525 6.881 0.051 1.00 0.00 C ATOM 0 HA PRO A 15 -4.706 7.162 -0.904 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.845 8.080 -2.761 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.292 9.005 -1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.746 7.530 -1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.030 8.846 -0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.812 6.066 -0.071 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.308 7.354 1.009 1.00 0.00 H new ATOM 183 N HIS A 16 -2.773 5.080 -2.511 1.00 0.00 N ATOM 184 CA HIS A 16 -2.844 4.013 -3.546 1.00 0.00 C ATOM 185 C HIS A 16 -3.929 3.000 -3.174 1.00 0.00 C ATOM 186 O HIS A 16 -4.714 2.586 -4.005 1.00 0.00 O ATOM 187 CB HIS A 16 -1.491 3.303 -3.634 1.00 0.00 C ATOM 188 CG HIS A 16 -1.582 2.174 -4.623 1.00 0.00 C ATOM 189 ND1 HIS A 16 -2.201 2.317 -5.854 1.00 0.00 N ATOM 190 CD2 HIS A 16 -1.133 0.878 -4.578 1.00 0.00 C ATOM 191 CE1 HIS A 16 -2.109 1.137 -6.494 1.00 0.00 C ATOM 192 NE2 HIS A 16 -1.467 0.224 -5.760 1.00 0.00 N ATOM 0 H HIS A 16 -1.863 5.189 -2.064 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.088 4.460 -4.510 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.718 4.007 -3.940 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -1.204 2.921 -2.654 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.601 0.433 -3.750 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.506 0.951 -7.481 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -1.265 -0.744 -6.012 1.00 0.00 H new ATOM 200 N CYS A 17 -3.982 2.593 -1.934 1.00 0.00 N ATOM 201 CA CYS A 17 -5.017 1.602 -1.520 1.00 0.00 C ATOM 202 C CYS A 17 -6.376 2.295 -1.402 1.00 0.00 C ATOM 203 O CYS A 17 -7.409 1.695 -1.629 1.00 0.00 O ATOM 204 CB CYS A 17 -4.637 0.993 -0.169 1.00 0.00 C ATOM 205 SG CYS A 17 -3.301 -0.205 -0.404 1.00 0.00 S ATOM 0 H CYS A 17 -3.355 2.903 -1.192 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.076 0.813 -2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.321 1.777 0.519 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.503 0.505 0.279 1.00 0.00 H new ATOM 210 N LYS A 18 -6.390 3.550 -1.049 1.00 0.00 N ATOM 211 CA LYS A 18 -7.686 4.266 -0.919 1.00 0.00 C ATOM 212 C LYS A 18 -8.422 4.232 -2.260 1.00 0.00 C ATOM 213 O LYS A 18 -9.603 4.512 -2.339 1.00 0.00 O ATOM 214 CB LYS A 18 -7.431 5.718 -0.511 1.00 0.00 C ATOM 215 CG LYS A 18 -8.702 6.299 0.110 1.00 0.00 C ATOM 216 CD LYS A 18 -8.754 7.805 -0.146 1.00 0.00 C ATOM 217 CE LYS A 18 -10.215 8.254 -0.216 1.00 0.00 C ATOM 218 NZ LYS A 18 -10.343 9.383 -1.180 1.00 0.00 N ATOM 0 H LYS A 18 -5.561 4.109 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.295 3.779 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.608 5.768 0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.136 6.306 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.581 5.817 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.719 6.101 1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.235 8.339 0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.242 8.045 -1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.847 7.423 -0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.559 8.564 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.336 9.688 -1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.751 10.178 -0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.031 9.072 -2.122 1.00 0.00 H new ATOM 232 N LYS A 19 -7.734 3.893 -3.316 1.00 0.00 N ATOM 233 CA LYS A 19 -8.394 3.842 -4.649 1.00 0.00 C ATOM 234 C LYS A 19 -8.629 2.384 -5.049 1.00 0.00 C ATOM 235 O LYS A 19 -9.494 2.081 -5.848 1.00 0.00 O ATOM 236 CB LYS A 19 -7.489 4.519 -5.682 1.00 0.00 C ATOM 237 CG LYS A 19 -7.223 5.963 -5.252 1.00 0.00 C ATOM 238 CD LYS A 19 -6.134 6.571 -6.137 1.00 0.00 C ATOM 239 CE LYS A 19 -5.840 8.001 -5.676 1.00 0.00 C ATOM 240 NZ LYS A 19 -6.983 8.885 -6.041 1.00 0.00 N ATOM 0 H LYS A 19 -6.744 3.649 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.352 4.360 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.549 3.975 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.962 4.501 -6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.138 6.550 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.914 5.991 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.228 5.967 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.456 6.572 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.680 8.021 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.923 8.363 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.701 9.880 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.257 8.708 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.790 8.684 -5.417 1.00 0.00 H new ATOM 254 N GLU A 20 -7.867 1.476 -4.502 1.00 0.00 N ATOM 255 CA GLU A 20 -8.046 0.043 -4.853 1.00 0.00 C ATOM 256 C GLU A 20 -9.288 -0.512 -4.151 1.00 0.00 C ATOM 257 O GLU A 20 -10.088 -1.207 -4.745 1.00 0.00 O ATOM 258 CB GLU A 20 -6.813 -0.746 -4.412 1.00 0.00 C ATOM 259 CG GLU A 20 -5.621 -0.351 -5.285 1.00 0.00 C ATOM 260 CD GLU A 20 -5.213 -1.540 -6.158 1.00 0.00 C ATOM 261 OE1 GLU A 20 -4.899 -2.579 -5.600 1.00 0.00 O ATOM 262 OE2 GLU A 20 -5.223 -1.391 -7.369 1.00 0.00 O ATOM 0 H GLU A 20 -7.128 1.668 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.173 -0.051 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.593 -0.544 -3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.002 -1.816 -4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.882 0.502 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.784 -0.042 -4.659 1.00 0.00 H new ATOM 269 N THR A 21 -9.456 -0.212 -2.892 1.00 0.00 N ATOM 270 CA THR A 21 -10.650 -0.726 -2.158 1.00 0.00 C ATOM 271 C THR A 21 -11.279 0.403 -1.339 1.00 0.00 C ATOM 272 O THR A 21 -12.230 0.198 -0.612 1.00 0.00 O ATOM 273 CB THR A 21 -10.229 -1.862 -1.221 1.00 0.00 C ATOM 274 OG1 THR A 21 -11.315 -2.193 -0.367 1.00 0.00 O ATOM 275 CG2 THR A 21 -9.031 -1.422 -0.377 1.00 0.00 C ATOM 0 H THR A 21 -8.821 0.365 -2.340 1.00 0.00 H new ATOM 0 HA THR A 21 -11.379 -1.100 -2.877 1.00 0.00 H new ATOM 0 HB THR A 21 -9.949 -2.733 -1.813 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.509 -1.436 0.224 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.736 -2.234 0.287 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.198 -1.169 -1.032 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.305 -0.549 0.216 1.00 0.00 H new ATOM 283 N GLY A 22 -10.761 1.595 -1.452 1.00 0.00 N ATOM 284 CA GLY A 22 -11.334 2.733 -0.685 1.00 0.00 C ATOM 285 C GLY A 22 -10.656 2.829 0.682 1.00 0.00 C ATOM 286 O GLY A 22 -10.594 3.884 1.281 1.00 0.00 O ATOM 0 H GLY A 22 -9.964 1.829 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.194 3.663 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.408 2.595 -0.560 1.00 0.00 H new ATOM 290 N TYR A 23 -10.144 1.737 1.182 1.00 0.00 N ATOM 291 CA TYR A 23 -9.469 1.771 2.511 1.00 0.00 C ATOM 292 C TYR A 23 -7.979 2.081 2.313 1.00 0.00 C ATOM 293 O TYR A 23 -7.295 1.371 1.602 1.00 0.00 O ATOM 294 CB TYR A 23 -9.611 0.406 3.189 1.00 0.00 C ATOM 295 CG TYR A 23 -11.008 -0.123 2.973 1.00 0.00 C ATOM 296 CD1 TYR A 23 -12.108 0.586 3.470 1.00 0.00 C ATOM 297 CD2 TYR A 23 -11.204 -1.324 2.280 1.00 0.00 C ATOM 298 CE1 TYR A 23 -13.403 0.094 3.276 1.00 0.00 C ATOM 299 CE2 TYR A 23 -12.500 -1.816 2.084 1.00 0.00 C ATOM 300 CZ TYR A 23 -13.599 -1.108 2.581 1.00 0.00 C ATOM 301 OH TYR A 23 -14.876 -1.594 2.389 1.00 0.00 O ATOM 0 H TYR A 23 -10.164 0.824 0.728 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.928 2.539 3.134 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.880 -0.292 2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.406 0.495 4.256 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -11.957 1.513 4.003 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.355 -1.871 1.897 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.252 0.640 3.661 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.651 -2.742 1.549 1.00 0.00 H new ATOM 0 HH TYR A 23 -14.834 -2.435 1.888 1.00 0.00 H new ATOM 311 N PRO A 24 -7.514 3.130 2.947 1.00 0.00 N ATOM 312 CA PRO A 24 -6.103 3.546 2.853 1.00 0.00 C ATOM 313 C PRO A 24 -5.222 2.655 3.734 1.00 0.00 C ATOM 314 O PRO A 24 -4.022 2.592 3.564 1.00 0.00 O ATOM 315 CB PRO A 24 -6.117 4.986 3.373 1.00 0.00 C ATOM 316 CG PRO A 24 -7.384 5.120 4.248 1.00 0.00 C ATOM 317 CD PRO A 24 -8.342 3.996 3.813 1.00 0.00 C ATOM 0 HA PRO A 24 -5.699 3.467 1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.219 5.198 3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.138 5.697 2.547 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.136 5.029 5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.847 6.097 4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.729 3.447 4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.203 4.392 3.274 1.00 0.00 H new ATOM 325 N ASN A 25 -5.809 1.967 4.675 1.00 0.00 N ATOM 326 CA ASN A 25 -5.003 1.084 5.561 1.00 0.00 C ATOM 327 C ASN A 25 -4.236 0.070 4.710 1.00 0.00 C ATOM 328 O ASN A 25 -4.818 -0.702 3.972 1.00 0.00 O ATOM 329 CB ASN A 25 -5.929 0.346 6.531 1.00 0.00 C ATOM 330 CG ASN A 25 -5.812 0.969 7.924 1.00 0.00 C ATOM 331 OD1 ASN A 25 -4.727 1.108 8.451 1.00 0.00 O ATOM 332 ND2 ASN A 25 -6.895 1.349 8.546 1.00 0.00 N ATOM 0 H ASN A 25 -6.811 1.979 4.867 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.296 1.689 6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.960 0.403 6.181 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.664 -0.711 6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.830 1.763 9.476 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.806 1.232 8.102 1.00 0.00 H new ATOM 339 N ALA A 26 -2.936 0.062 4.807 1.00 0.00 N ATOM 340 CA ALA A 26 -2.132 -0.903 4.005 1.00 0.00 C ATOM 341 C ALA A 26 -0.711 -0.969 4.570 1.00 0.00 C ATOM 342 O ALA A 26 -0.388 -0.314 5.540 1.00 0.00 O ATOM 343 CB ALA A 26 -2.082 -0.437 2.547 1.00 0.00 C ATOM 0 H ALA A 26 -2.394 0.683 5.408 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.590 -1.891 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.494 -1.142 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.094 -0.386 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.622 0.550 2.496 1.00 0.00 H new ATOM 349 N LYS A 27 0.140 -1.759 3.975 1.00 0.00 N ATOM 350 CA LYS A 27 1.536 -1.867 4.486 1.00 0.00 C ATOM 351 C LYS A 27 2.512 -1.977 3.312 1.00 0.00 C ATOM 352 O LYS A 27 2.164 -2.437 2.242 1.00 0.00 O ATOM 353 CB LYS A 27 1.659 -3.113 5.365 1.00 0.00 C ATOM 354 CG LYS A 27 0.757 -2.966 6.590 1.00 0.00 C ATOM 355 CD LYS A 27 0.811 -4.248 7.422 1.00 0.00 C ATOM 356 CE LYS A 27 2.126 -4.294 8.201 1.00 0.00 C ATOM 357 NZ LYS A 27 1.834 -4.333 9.662 1.00 0.00 N ATOM 0 H LYS A 27 -0.070 -2.333 3.159 1.00 0.00 H new ATOM 0 HA LYS A 27 1.775 -0.978 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.377 -4.000 4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.694 -3.250 5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.079 -2.116 7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.268 -2.766 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.033 -4.284 8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.730 -5.120 6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.703 -5.172 7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.733 -3.421 7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.727 -4.364 10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.300 -3.482 9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.271 -5.179 9.881 1.00 0.00 H new ATOM 371 N CYS A 28 3.735 -1.565 3.509 1.00 0.00 N ATOM 372 CA CYS A 28 4.742 -1.650 2.414 1.00 0.00 C ATOM 373 C CYS A 28 5.789 -2.702 2.786 1.00 0.00 C ATOM 374 O CYS A 28 6.116 -2.879 3.942 1.00 0.00 O ATOM 375 CB CYS A 28 5.423 -0.291 2.238 1.00 0.00 C ATOM 376 SG CYS A 28 4.424 0.754 1.149 1.00 0.00 S ATOM 0 H CYS A 28 4.081 -1.172 4.384 1.00 0.00 H new ATOM 0 HA CYS A 28 4.252 -1.928 1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.549 0.192 3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.419 -0.424 1.817 1.00 0.00 H new ATOM 381 N MET A 29 6.314 -3.408 1.823 1.00 0.00 N ATOM 382 CA MET A 29 7.331 -4.448 2.144 1.00 0.00 C ATOM 383 C MET A 29 8.405 -4.487 1.056 1.00 0.00 C ATOM 384 O MET A 29 8.246 -5.126 0.036 1.00 0.00 O ATOM 385 CB MET A 29 6.647 -5.813 2.234 1.00 0.00 C ATOM 386 CG MET A 29 5.618 -5.792 3.367 1.00 0.00 C ATOM 387 SD MET A 29 4.993 -7.468 3.645 1.00 0.00 S ATOM 388 CE MET A 29 5.432 -7.586 5.398 1.00 0.00 C ATOM 0 H MET A 29 6.085 -3.311 0.834 1.00 0.00 H new ATOM 0 HA MET A 29 7.801 -4.207 3.097 1.00 0.00 H new ATOM 0 HB2 MET A 29 6.159 -6.051 1.289 1.00 0.00 H new ATOM 0 HB3 MET A 29 7.388 -6.592 2.415 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.073 -5.406 4.279 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.796 -5.123 3.114 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.131 -8.560 5.784 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.510 -7.468 5.512 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.920 -6.801 5.955 1.00 0.00 H new ATOM 398 N ASN A 30 9.503 -3.815 1.274 1.00 0.00 N ATOM 399 CA ASN A 30 10.602 -3.812 0.263 1.00 0.00 C ATOM 400 C ASN A 30 10.024 -3.766 -1.155 1.00 0.00 C ATOM 401 O ASN A 30 10.358 -4.576 -1.994 1.00 0.00 O ATOM 402 CB ASN A 30 11.444 -5.079 0.425 1.00 0.00 C ATOM 403 CG ASN A 30 10.572 -6.311 0.171 1.00 0.00 C ATOM 404 OD1 ASN A 30 10.317 -6.665 -0.964 1.00 0.00 O ATOM 405 ND2 ASN A 30 10.101 -6.983 1.185 1.00 0.00 N ATOM 0 H ASN A 30 9.688 -3.265 2.113 1.00 0.00 H new ATOM 0 HA ASN A 30 11.223 -2.930 0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.281 -5.063 -0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.867 -5.121 1.429 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.519 -7.805 1.026 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.315 -6.686 2.137 1.00 0.00 H new ATOM 412 N ARG A 31 9.172 -2.813 -1.424 1.00 0.00 N ATOM 413 CA ARG A 31 8.571 -2.681 -2.788 1.00 0.00 C ATOM 414 C ARG A 31 7.364 -3.616 -2.943 1.00 0.00 C ATOM 415 O ARG A 31 7.058 -4.065 -4.028 1.00 0.00 O ATOM 416 CB ARG A 31 9.611 -3.012 -3.867 1.00 0.00 C ATOM 417 CG ARG A 31 10.936 -2.315 -3.542 1.00 0.00 C ATOM 418 CD ARG A 31 11.004 -0.974 -4.274 1.00 0.00 C ATOM 419 NE ARG A 31 10.628 -1.169 -5.703 1.00 0.00 N ATOM 420 CZ ARG A 31 11.558 -1.338 -6.605 1.00 0.00 C ATOM 421 NH1 ARG A 31 12.766 -1.672 -6.241 1.00 0.00 N ATOM 422 NH2 ARG A 31 11.278 -1.173 -7.869 1.00 0.00 N ATOM 0 H ARG A 31 8.862 -2.112 -0.751 1.00 0.00 H new ATOM 0 HA ARG A 31 8.240 -1.650 -2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.761 -4.090 -3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.250 -2.690 -4.844 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.022 -2.158 -2.467 1.00 0.00 H new ATOM 0 HG3 ARG A 31 11.773 -2.946 -3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.331 -0.257 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.010 -0.560 -4.205 1.00 0.00 H new ATOM 0 HE ARG A 31 9.645 -1.171 -5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.984 -1.801 -5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.492 -1.804 -6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.333 -0.912 -8.152 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.004 -1.305 -8.574 1.00 0.00 H new ATOM 436 N LYS A 32 6.664 -3.903 -1.879 1.00 0.00 N ATOM 437 CA LYS A 32 5.470 -4.792 -1.995 1.00 0.00 C ATOM 438 C LYS A 32 4.310 -4.178 -1.211 1.00 0.00 C ATOM 439 O LYS A 32 4.207 -4.339 -0.010 1.00 0.00 O ATOM 440 CB LYS A 32 5.787 -6.176 -1.428 1.00 0.00 C ATOM 441 CG LYS A 32 6.202 -7.114 -2.564 1.00 0.00 C ATOM 442 CD LYS A 32 7.334 -8.027 -2.085 1.00 0.00 C ATOM 443 CE LYS A 32 7.770 -8.948 -3.225 1.00 0.00 C ATOM 444 NZ LYS A 32 8.786 -8.254 -4.066 1.00 0.00 N ATOM 0 H LYS A 32 6.865 -3.563 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 32 5.199 -4.892 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.588 -6.104 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.915 -6.577 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.349 -7.712 -2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.529 -6.534 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.179 -7.428 -1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.001 -8.620 -1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.186 -9.871 -2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.908 -9.225 -3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.082 -8.881 -4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.374 -7.385 -4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.612 -8.011 -3.483 1.00 0.00 H new ATOM 458 N CYS A 33 3.438 -3.468 -1.874 1.00 0.00 N ATOM 459 CA CYS A 33 2.291 -2.841 -1.157 1.00 0.00 C ATOM 460 C CYS A 33 1.159 -3.858 -1.010 1.00 0.00 C ATOM 461 O CYS A 33 0.975 -4.725 -1.842 1.00 0.00 O ATOM 462 CB CYS A 33 1.791 -1.633 -1.950 1.00 0.00 C ATOM 463 SG CYS A 33 0.477 -0.805 -1.019 1.00 0.00 S ATOM 0 H CYS A 33 3.470 -3.295 -2.879 1.00 0.00 H new ATOM 0 HA CYS A 33 2.617 -2.517 -0.169 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.612 -0.941 -2.136 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.417 -1.952 -2.923 1.00 0.00 H new ATOM 468 N LYS A 34 0.397 -3.752 0.043 1.00 0.00 N ATOM 469 CA LYS A 34 -0.729 -4.703 0.254 1.00 0.00 C ATOM 470 C LYS A 34 -1.853 -3.989 1.008 1.00 0.00 C ATOM 471 O LYS A 34 -1.701 -3.611 2.152 1.00 0.00 O ATOM 472 CB LYS A 34 -0.243 -5.899 1.074 1.00 0.00 C ATOM 473 CG LYS A 34 -0.584 -7.196 0.339 1.00 0.00 C ATOM 474 CD LYS A 34 -0.139 -8.393 1.183 1.00 0.00 C ATOM 475 CE LYS A 34 1.389 -8.422 1.263 1.00 0.00 C ATOM 476 NZ LYS A 34 1.830 -9.698 1.894 1.00 0.00 N ATOM 0 H LYS A 34 0.507 -3.044 0.769 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.098 -5.054 -0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.833 -5.831 1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.711 -5.893 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.656 -7.249 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.089 -7.218 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.565 -8.324 2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.508 -9.319 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.818 -8.330 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.749 -7.573 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.868 -9.718 1.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.432 -9.767 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.498 -10.501 1.322 1.00 0.00 H new ATOM 490 N CYS A 35 -2.975 -3.795 0.374 1.00 0.00 N ATOM 491 CA CYS A 35 -4.103 -3.099 1.055 1.00 0.00 C ATOM 492 C CYS A 35 -4.802 -4.070 2.010 1.00 0.00 C ATOM 493 O CYS A 35 -4.663 -5.272 1.899 1.00 0.00 O ATOM 494 CB CYS A 35 -5.098 -2.605 0.005 1.00 0.00 C ATOM 495 SG CYS A 35 -4.199 -1.764 -1.323 1.00 0.00 S ATOM 0 H CYS A 35 -3.160 -4.088 -0.585 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.721 -2.250 1.622 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.665 -3.444 -0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.817 -1.924 0.461 1.00 0.00 H new ATOM 500 N PHE A 36 -5.550 -3.558 2.951 1.00 0.00 N ATOM 501 CA PHE A 36 -6.255 -4.452 3.915 1.00 0.00 C ATOM 502 C PHE A 36 -7.681 -4.720 3.423 1.00 0.00 C ATOM 503 O PHE A 36 -8.634 -4.594 4.165 1.00 0.00 O ATOM 504 CB PHE A 36 -6.318 -3.775 5.286 1.00 0.00 C ATOM 505 CG PHE A 36 -5.077 -4.112 6.080 1.00 0.00 C ATOM 506 CD1 PHE A 36 -4.792 -5.443 6.405 1.00 0.00 C ATOM 507 CD2 PHE A 36 -4.214 -3.091 6.494 1.00 0.00 C ATOM 508 CE1 PHE A 36 -3.642 -5.751 7.144 1.00 0.00 C ATOM 509 CE2 PHE A 36 -3.067 -3.398 7.233 1.00 0.00 C ATOM 510 CZ PHE A 36 -2.781 -4.729 7.558 1.00 0.00 C ATOM 0 H PHE A 36 -5.703 -2.560 3.094 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.712 -5.394 3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.402 -2.695 5.165 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.206 -4.105 5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.458 -6.232 6.087 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.434 -2.064 6.242 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.420 -6.778 7.394 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.403 -2.609 7.553 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.895 -4.967 8.129 1.00 0.00 H new ATOM 520 N GLY A 37 -7.837 -5.090 2.182 1.00 0.00 N ATOM 521 CA GLY A 37 -9.203 -5.365 1.654 1.00 0.00 C ATOM 522 C GLY A 37 -9.109 -5.791 0.187 1.00 0.00 C ATOM 523 O GLY A 37 -8.971 -6.957 -0.123 1.00 0.00 O ATOM 0 H GLY A 37 -7.079 -5.214 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.680 -6.150 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.826 -4.475 1.746 1.00 0.00 H new ATOM 527 N ARG A 38 -9.181 -4.854 -0.717 1.00 0.00 N ATOM 528 CA ARG A 38 -9.093 -5.205 -2.162 1.00 0.00 C ATOM 529 C ARG A 38 -10.213 -6.184 -2.520 1.00 0.00 C ATOM 530 O ARG A 38 -11.320 -5.728 -2.755 1.00 0.00 O ATOM 531 CB ARG A 38 -7.737 -5.858 -2.441 1.00 0.00 C ATOM 532 CG ARG A 38 -6.923 -4.966 -3.382 1.00 0.00 C ATOM 533 CD ARG A 38 -6.684 -5.699 -4.702 1.00 0.00 C ATOM 534 NE ARG A 38 -7.947 -5.722 -5.489 1.00 0.00 N ATOM 535 CZ ARG A 38 -8.217 -6.737 -6.263 1.00 0.00 C ATOM 536 NH1 ARG A 38 -7.601 -6.866 -7.406 1.00 0.00 N ATOM 537 NH2 ARG A 38 -9.100 -7.624 -5.895 1.00 0.00 N ATOM 538 OXT ARG A 38 -9.945 -7.373 -2.556 1.00 0.00 O ATOM 0 H ARG A 38 -9.297 -3.860 -0.518 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.196 -4.302 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.195 -6.009 -1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.881 -6.841 -2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.454 -4.032 -3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.970 -4.707 -2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.898 -5.202 -5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.344 -6.716 -4.510 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.602 -4.943 -5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.909 -6.174 -7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.811 -7.659 -8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.581 -7.525 -5.001 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.310 -8.417 -6.501 1.00 0.00 H new TER 552 ARG A 38