USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 453 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 21 THR OG1 : rot 88:sc= 0.153 USER MOD Set 1.2: A 22 ASN : amide:sc= 0.0929 X(o=0.25,f=-0.0099) USER MOD Set 2.1: A 4 HIS : no HD1:sc= -0.187 X(o=-0.39,f=-0.042) USER MOD Set 2.2: A 61 ASN : amide:sc= -0.204 X(o=-0.39,f=-0.042) USER MOD Single : A 1 LEU N :NH3+ -117:sc= 0.527 (180deg=0.0119) USER MOD Single : A 5 ASN : amide:sc= -0.0374 X(o=-0.037,f=-0.37) USER MOD Single : A 6 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.4) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0821) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 14:sc= 0.949 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0236) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.217 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0975 K(o=-0.098,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -8.619 -11.319 6.721 1.00 0.00 N ATOM 2 CA LEU A 1 -7.135 -11.271 6.683 1.00 0.00 C ATOM 3 C LEU A 1 -6.910 -9.997 7.490 1.00 0.00 C ATOM 4 O LEU A 1 -7.890 -9.378 7.865 1.00 0.00 O ATOM 5 CB LEU A 1 -6.587 -11.074 5.247 1.00 0.00 C ATOM 6 CG LEU A 1 -5.207 -11.797 5.029 1.00 0.00 C ATOM 7 CD1 LEU A 1 -5.355 -13.341 4.794 1.00 0.00 C ATOM 8 CD2 LEU A 1 -4.487 -11.146 3.813 1.00 0.00 C ATOM 0 H1 LEU A 1 -8.926 -12.176 7.224 1.00 0.00 H new ATOM 0 H2 LEU A 1 -8.981 -10.479 7.216 1.00 0.00 H new ATOM 0 H3 LEU A 1 -8.991 -11.336 5.750 1.00 0.00 H new ATOM 0 HA LEU A 1 -6.650 -12.177 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.312 -11.456 4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -6.472 -10.009 5.048 1.00 0.00 H new ATOM 0 HG LEU A 1 -4.622 -11.675 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -4.369 -13.783 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.834 -13.797 5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -5.965 -13.517 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -3.528 -11.639 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -5.106 -11.255 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -4.322 -10.087 4.012 1.00 0.00 H new ATOM 22 N GLU A 2 -5.685 -9.634 7.738 1.00 0.00 N ATOM 23 CA GLU A 2 -5.381 -8.399 8.526 1.00 0.00 C ATOM 24 C GLU A 2 -4.193 -7.789 7.813 1.00 0.00 C ATOM 25 O GLU A 2 -3.410 -8.599 7.346 1.00 0.00 O ATOM 26 CB GLU A 2 -4.926 -8.717 9.958 1.00 0.00 C ATOM 27 CG GLU A 2 -6.108 -9.079 10.870 1.00 0.00 C ATOM 28 CD GLU A 2 -5.585 -9.816 12.113 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.903 -9.186 12.907 1.00 0.00 O ATOM 30 OE2 GLU A 2 -5.908 -10.990 12.189 1.00 0.00 O ATOM 0 H GLU A 2 -4.862 -10.148 7.424 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.265 -7.765 8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.217 -9.545 9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.400 -7.856 10.371 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.643 -8.177 11.167 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.818 -9.708 10.332 1.00 0.00 H new ATOM 37 N CYS A 3 -4.074 -6.479 7.755 1.00 0.00 N ATOM 38 CA CYS A 3 -2.886 -5.884 7.049 1.00 0.00 C ATOM 39 C CYS A 3 -2.407 -4.669 7.874 1.00 0.00 C ATOM 40 O CYS A 3 -3.057 -4.293 8.840 1.00 0.00 O ATOM 41 CB CYS A 3 -3.223 -5.354 5.628 1.00 0.00 C ATOM 42 SG CYS A 3 -4.207 -6.358 4.478 1.00 0.00 S ATOM 0 H CYS A 3 -4.731 -5.809 8.155 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.138 -6.671 6.954 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.745 -4.405 5.754 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.277 -5.134 5.134 1.00 0.00 H new ATOM 47 N HIS A 4 -1.309 -4.081 7.453 1.00 0.00 N ATOM 48 CA HIS A 4 -0.692 -2.889 8.146 1.00 0.00 C ATOM 49 C HIS A 4 -0.983 -1.630 7.355 1.00 0.00 C ATOM 50 O HIS A 4 -1.209 -1.755 6.171 1.00 0.00 O ATOM 51 CB HIS A 4 0.832 -2.950 8.193 1.00 0.00 C ATOM 52 CG HIS A 4 1.375 -4.030 9.134 1.00 0.00 C ATOM 53 ND1 HIS A 4 1.692 -3.849 10.379 1.00 0.00 N ATOM 54 CD2 HIS A 4 1.641 -5.376 8.903 1.00 0.00 C ATOM 55 CE1 HIS A 4 2.115 -4.964 10.882 1.00 0.00 C ATOM 56 NE2 HIS A 4 2.101 -5.937 10.004 1.00 0.00 N ATOM 0 H HIS A 4 -0.794 -4.387 6.628 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.113 -2.891 9.151 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.211 -3.132 7.187 1.00 0.00 H new ATOM 0 HB3 HIS A 4 1.216 -1.980 8.507 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.493 -5.885 7.962 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.441 -5.079 11.905 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.382 -6.908 10.141 1.00 0.00 H new ATOM 64 N ASN A 5 -0.971 -0.469 7.965 1.00 0.00 N ATOM 65 CA ASN A 5 -1.251 0.784 7.175 1.00 0.00 C ATOM 66 C ASN A 5 -0.288 1.864 7.641 1.00 0.00 C ATOM 67 O ASN A 5 -0.656 2.984 7.919 1.00 0.00 O ATOM 68 CB ASN A 5 -2.704 1.319 7.383 1.00 0.00 C ATOM 69 CG ASN A 5 -3.115 1.543 8.857 1.00 0.00 C ATOM 70 OD1 ASN A 5 -3.056 2.635 9.384 1.00 0.00 O ATOM 71 ND2 ASN A 5 -3.548 0.528 9.567 1.00 0.00 N ATOM 0 H ASN A 5 -0.784 -0.329 8.958 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.130 0.541 6.119 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.808 2.262 6.846 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.402 0.615 6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.826 0.667 10.539 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.607 -0.400 9.147 1.00 0.00 H new ATOM 78 N GLN A 6 0.953 1.481 7.684 1.00 0.00 N ATOM 79 CA GLN A 6 2.066 2.378 8.129 1.00 0.00 C ATOM 80 C GLN A 6 2.410 3.369 7.000 1.00 0.00 C ATOM 81 O GLN A 6 2.896 2.940 5.972 1.00 0.00 O ATOM 82 CB GLN A 6 3.227 1.387 8.511 1.00 0.00 C ATOM 83 CG GLN A 6 4.535 1.987 8.942 1.00 0.00 C ATOM 84 CD GLN A 6 5.169 0.869 9.784 1.00 0.00 C ATOM 85 OE1 GLN A 6 5.164 -0.286 9.399 1.00 0.00 O ATOM 86 NE2 GLN A 6 5.717 1.153 10.934 1.00 0.00 N ATOM 0 H GLN A 6 1.260 0.545 7.419 1.00 0.00 H new ATOM 0 HA GLN A 6 1.830 3.013 8.983 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.870 0.744 9.316 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.418 0.745 7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.158 2.252 8.088 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.389 2.897 9.524 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.729 2.116 11.269 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.134 0.412 11.497 1.00 0.00 H new ATOM 95 N GLN A 7 2.174 4.645 7.203 1.00 0.00 N ATOM 96 CA GLN A 7 2.473 5.672 6.146 1.00 0.00 C ATOM 97 C GLN A 7 3.801 6.389 6.413 1.00 0.00 C ATOM 98 O GLN A 7 4.145 6.605 7.554 1.00 0.00 O ATOM 99 CB GLN A 7 1.387 6.786 6.111 1.00 0.00 C ATOM 100 CG GLN A 7 0.008 6.240 5.777 1.00 0.00 C ATOM 101 CD GLN A 7 -0.992 7.280 6.302 1.00 0.00 C ATOM 102 OE1 GLN A 7 -1.012 8.410 5.854 1.00 0.00 O ATOM 103 NE2 GLN A 7 -1.827 6.942 7.248 1.00 0.00 N ATOM 0 H GLN A 7 1.783 5.025 8.065 1.00 0.00 H new ATOM 0 HA GLN A 7 2.506 5.121 5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.352 7.286 7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.666 7.538 5.373 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.106 6.096 4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.153 5.270 6.248 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.813 5.995 7.626 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.493 7.625 7.608 1.00 0.00 H new ATOM 112 N SER A 8 4.446 6.728 5.328 1.00 0.00 N ATOM 113 CA SER A 8 5.751 7.434 5.289 1.00 0.00 C ATOM 114 C SER A 8 6.558 7.444 6.602 1.00 0.00 C ATOM 115 O SER A 8 7.492 6.669 6.691 1.00 0.00 O ATOM 116 CB SER A 8 5.450 8.891 4.788 1.00 0.00 C ATOM 117 OG SER A 8 6.687 9.523 4.481 1.00 0.00 O ATOM 0 H SER A 8 4.083 6.523 4.397 1.00 0.00 H new ATOM 0 HA SER A 8 6.409 6.883 4.617 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.808 8.865 3.907 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.916 9.453 5.554 1.00 0.00 H new ATOM 0 HG SER A 8 6.519 10.435 4.164 1.00 0.00 H new ATOM 123 N SER A 9 6.240 8.274 7.563 1.00 0.00 N ATOM 124 CA SER A 9 7.050 8.251 8.794 1.00 0.00 C ATOM 125 C SER A 9 6.201 8.177 10.065 1.00 0.00 C ATOM 126 O SER A 9 6.735 8.374 11.141 1.00 0.00 O ATOM 127 CB SER A 9 7.881 9.518 8.767 1.00 0.00 C ATOM 128 OG SER A 9 6.916 10.554 8.562 1.00 0.00 O ATOM 0 H SER A 9 5.473 8.946 7.542 1.00 0.00 H new ATOM 0 HA SER A 9 7.670 7.355 8.819 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.427 9.658 9.700 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.620 9.495 7.966 1.00 0.00 H new ATOM 0 HG SER A 9 7.369 11.422 8.532 1.00 0.00 H new ATOM 134 N GLN A 10 4.934 7.901 9.960 1.00 0.00 N ATOM 135 CA GLN A 10 4.125 7.860 11.214 1.00 0.00 C ATOM 136 C GLN A 10 4.327 6.506 11.883 1.00 0.00 C ATOM 137 O GLN A 10 4.703 5.574 11.208 1.00 0.00 O ATOM 138 CB GLN A 10 2.616 8.043 10.870 1.00 0.00 C ATOM 139 CG GLN A 10 2.285 9.444 10.342 1.00 0.00 C ATOM 140 CD GLN A 10 0.885 9.333 9.718 1.00 0.00 C ATOM 141 OE1 GLN A 10 0.730 9.533 8.533 1.00 0.00 O ATOM 142 NE2 GLN A 10 -0.151 9.014 10.448 1.00 0.00 N ATOM 0 H GLN A 10 4.433 7.707 9.093 1.00 0.00 H new ATOM 0 HA GLN A 10 4.441 8.660 11.883 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.327 7.303 10.124 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.020 7.847 11.761 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.298 10.179 11.147 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.018 9.767 9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.038 8.842 11.447 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.073 8.937 10.019 1.00 0.00 H new ATOM 151 N PRO A 11 4.092 6.413 13.174 1.00 0.00 N ATOM 152 CA PRO A 11 4.257 5.123 13.893 1.00 0.00 C ATOM 153 C PRO A 11 3.213 4.105 13.375 1.00 0.00 C ATOM 154 O PRO A 11 2.226 4.512 12.804 1.00 0.00 O ATOM 155 CB PRO A 11 4.090 5.477 15.385 1.00 0.00 C ATOM 156 CG PRO A 11 3.347 6.857 15.418 1.00 0.00 C ATOM 157 CD PRO A 11 3.679 7.539 14.057 1.00 0.00 C ATOM 0 HA PRO A 11 5.224 4.647 13.732 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.515 4.711 15.906 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.058 5.542 15.882 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.272 6.722 15.538 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.687 7.466 16.256 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.813 8.064 13.653 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.477 8.274 14.164 1.00 0.00 H new ATOM 165 N PRO A 12 3.441 2.830 13.593 1.00 0.00 N ATOM 166 CA PRO A 12 2.521 1.738 13.129 1.00 0.00 C ATOM 167 C PRO A 12 1.081 1.550 13.668 1.00 0.00 C ATOM 168 O PRO A 12 0.847 1.755 14.843 1.00 0.00 O ATOM 169 CB PRO A 12 3.332 0.454 13.353 1.00 0.00 C ATOM 170 CG PRO A 12 4.323 0.803 14.522 1.00 0.00 C ATOM 171 CD PRO A 12 4.636 2.314 14.321 1.00 0.00 C ATOM 0 HA PRO A 12 2.254 2.030 12.113 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.684 -0.381 13.620 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.871 0.164 12.451 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.871 0.616 15.496 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.229 0.199 14.470 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.775 2.824 15.274 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.550 2.460 13.745 1.00 0.00 H new ATOM 179 N THR A 13 0.198 1.161 12.771 1.00 0.00 N ATOM 180 CA THR A 13 -1.234 0.909 13.069 1.00 0.00 C ATOM 181 C THR A 13 -1.703 -0.339 12.189 1.00 0.00 C ATOM 182 O THR A 13 -1.085 -0.578 11.155 1.00 0.00 O ATOM 183 CB THR A 13 -1.801 2.247 12.715 1.00 0.00 C ATOM 184 OG1 THR A 13 -0.638 2.734 12.021 1.00 0.00 O ATOM 185 CG2 THR A 13 -2.070 3.136 13.968 1.00 0.00 C ATOM 0 H THR A 13 0.440 1.003 11.793 1.00 0.00 H new ATOM 0 HA THR A 13 -1.532 0.620 14.077 1.00 0.00 H new ATOM 0 HB THR A 13 -2.756 2.234 12.190 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.810 3.641 11.691 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.481 4.095 13.652 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.782 2.635 14.624 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.136 3.301 14.505 1.00 0.00 H new ATOM 193 N THR A 14 -2.727 -1.080 12.567 1.00 0.00 N ATOM 194 CA THR A 14 -3.192 -2.252 11.765 1.00 0.00 C ATOM 195 C THR A 14 -4.752 -2.187 11.537 1.00 0.00 C ATOM 196 O THR A 14 -5.381 -1.439 12.263 1.00 0.00 O ATOM 197 CB THR A 14 -2.714 -3.397 12.609 1.00 0.00 C ATOM 198 OG1 THR A 14 -2.490 -2.688 13.837 1.00 0.00 O ATOM 199 CG2 THR A 14 -1.324 -3.912 12.154 1.00 0.00 C ATOM 0 H THR A 14 -3.266 -0.912 13.416 1.00 0.00 H new ATOM 0 HA THR A 14 -2.809 -2.319 10.747 1.00 0.00 H new ATOM 0 HB THR A 14 -3.392 -4.251 12.609 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.165 -3.311 14.520 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.016 -4.741 12.792 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.383 -4.252 11.120 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.595 -3.106 12.230 1.00 0.00 H new ATOM 207 N LYS A 15 -5.326 -2.921 10.595 1.00 0.00 N ATOM 208 CA LYS A 15 -6.819 -2.893 10.345 1.00 0.00 C ATOM 209 C LYS A 15 -7.248 -4.326 9.944 1.00 0.00 C ATOM 210 O LYS A 15 -6.351 -5.093 9.617 1.00 0.00 O ATOM 211 CB LYS A 15 -7.171 -1.929 9.188 1.00 0.00 C ATOM 212 CG LYS A 15 -7.436 -0.488 9.732 1.00 0.00 C ATOM 213 CD LYS A 15 -8.976 -0.286 9.847 1.00 0.00 C ATOM 214 CE LYS A 15 -9.321 1.013 10.603 1.00 0.00 C ATOM 215 NZ LYS A 15 -8.671 2.199 9.976 1.00 0.00 N ATOM 0 H LYS A 15 -4.812 -3.550 9.978 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.333 -2.551 11.243 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.355 -1.906 8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.053 -2.292 8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.962 -0.356 10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.004 0.256 9.063 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.415 -0.256 8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.418 -1.138 10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.402 1.153 10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.000 0.927 11.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.016 3.067 10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.640 2.132 10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.903 2.227 8.963 1.00 0.00 H new ATOM 229 N THR A 16 -8.531 -4.641 9.953 1.00 0.00 N ATOM 230 CA THR A 16 -8.983 -6.005 9.582 1.00 0.00 C ATOM 231 C THR A 16 -9.721 -5.904 8.223 1.00 0.00 C ATOM 232 O THR A 16 -10.183 -4.822 7.909 1.00 0.00 O ATOM 233 CB THR A 16 -9.920 -6.493 10.745 1.00 0.00 C ATOM 234 OG1 THR A 16 -11.013 -5.577 10.795 1.00 0.00 O ATOM 235 CG2 THR A 16 -9.279 -6.227 12.134 1.00 0.00 C ATOM 0 H THR A 16 -9.280 -3.996 10.206 1.00 0.00 H new ATOM 0 HA THR A 16 -8.169 -6.719 9.462 1.00 0.00 H new ATOM 0 HB THR A 16 -10.147 -7.544 10.568 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.630 -5.842 11.509 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.951 -6.576 12.918 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.331 -6.760 12.205 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.104 -5.158 12.255 1.00 0.00 H new ATOM 243 N CYS A 17 -9.827 -6.986 7.483 1.00 0.00 N ATOM 244 CA CYS A 17 -10.530 -6.938 6.163 1.00 0.00 C ATOM 245 C CYS A 17 -11.474 -8.139 5.910 1.00 0.00 C ATOM 246 O CYS A 17 -11.254 -8.853 4.952 1.00 0.00 O ATOM 247 CB CYS A 17 -9.496 -6.924 5.049 1.00 0.00 C ATOM 248 SG CYS A 17 -8.293 -5.569 5.001 1.00 0.00 S ATOM 0 H CYS A 17 -9.455 -7.901 7.739 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.141 -6.035 6.179 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.939 -7.860 5.102 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.032 -6.925 4.100 1.00 0.00 H new ATOM 253 N PRO A 18 -12.483 -8.396 6.695 1.00 0.00 N ATOM 254 CA PRO A 18 -13.373 -9.555 6.434 1.00 0.00 C ATOM 255 C PRO A 18 -14.231 -9.305 5.204 1.00 0.00 C ATOM 256 O PRO A 18 -15.335 -8.816 5.329 1.00 0.00 O ATOM 257 CB PRO A 18 -14.207 -9.717 7.696 1.00 0.00 C ATOM 258 CG PRO A 18 -14.269 -8.267 8.279 1.00 0.00 C ATOM 259 CD PRO A 18 -12.887 -7.625 7.897 1.00 0.00 C ATOM 0 HA PRO A 18 -12.815 -10.467 6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.202 -10.103 7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.745 -10.412 8.397 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.099 -7.704 7.852 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.415 -8.280 9.359 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.982 -6.561 7.681 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.160 -7.723 8.703 1.00 0.00 H new ATOM 267 N GLY A 19 -13.726 -9.637 4.065 1.00 0.00 N ATOM 268 CA GLY A 19 -14.517 -9.410 2.859 1.00 0.00 C ATOM 269 C GLY A 19 -13.518 -9.587 1.733 1.00 0.00 C ATOM 270 O GLY A 19 -13.891 -9.978 0.647 1.00 0.00 O ATOM 0 H GLY A 19 -12.805 -10.053 3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -15.339 -10.121 2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.957 -8.413 2.851 1.00 0.00 H new ATOM 274 N GLU A 20 -12.268 -9.302 2.000 1.00 0.00 N ATOM 275 CA GLU A 20 -11.229 -9.451 0.944 1.00 0.00 C ATOM 276 C GLU A 20 -10.247 -10.502 1.425 1.00 0.00 C ATOM 277 O GLU A 20 -10.317 -10.885 2.577 1.00 0.00 O ATOM 278 CB GLU A 20 -10.458 -8.135 0.736 1.00 0.00 C ATOM 279 CG GLU A 20 -11.003 -7.284 -0.444 1.00 0.00 C ATOM 280 CD GLU A 20 -12.513 -7.041 -0.403 1.00 0.00 C ATOM 281 OE1 GLU A 20 -12.920 -6.145 0.316 1.00 0.00 O ATOM 282 OE2 GLU A 20 -13.175 -7.783 -1.111 1.00 0.00 O ATOM 0 H GLU A 20 -11.926 -8.973 2.903 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.705 -9.728 0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.505 -7.546 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.407 -8.362 0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.492 -6.321 -0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.753 -7.781 -1.381 1.00 0.00 H new ATOM 289 N THR A 21 -9.380 -10.924 0.546 1.00 0.00 N ATOM 290 CA THR A 21 -8.378 -11.937 0.895 1.00 0.00 C ATOM 291 C THR A 21 -6.925 -11.444 0.584 1.00 0.00 C ATOM 292 O THR A 21 -5.989 -12.152 0.897 1.00 0.00 O ATOM 293 CB THR A 21 -8.753 -13.128 0.050 1.00 0.00 C ATOM 294 OG1 THR A 21 -8.860 -12.455 -1.210 1.00 0.00 O ATOM 295 CG2 THR A 21 -10.202 -13.653 0.292 1.00 0.00 C ATOM 0 H THR A 21 -9.333 -10.594 -0.418 1.00 0.00 H new ATOM 0 HA THR A 21 -8.374 -12.167 1.960 1.00 0.00 H new ATOM 0 HB THR A 21 -8.070 -13.964 0.199 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.983 -12.439 -1.648 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.391 -14.510 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.311 -13.954 1.334 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.918 -12.863 0.066 1.00 0.00 H new ATOM 303 N ASN A 22 -6.755 -10.276 0.002 1.00 0.00 N ATOM 304 CA ASN A 22 -5.355 -9.807 -0.344 1.00 0.00 C ATOM 305 C ASN A 22 -5.049 -8.402 0.140 1.00 0.00 C ATOM 306 O ASN A 22 -6.005 -7.735 0.494 1.00 0.00 O ATOM 307 CB ASN A 22 -5.141 -9.730 -1.845 1.00 0.00 C ATOM 308 CG ASN A 22 -6.076 -10.715 -2.581 1.00 0.00 C ATOM 309 OD1 ASN A 22 -5.968 -11.919 -2.448 1.00 0.00 O ATOM 310 ND2 ASN A 22 -7.029 -10.278 -3.369 1.00 0.00 N ATOM 0 H ASN A 22 -7.506 -9.632 -0.248 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.715 -10.543 0.143 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.329 -8.714 -2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.102 -9.961 -2.082 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.644 -10.941 -3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.155 -9.276 -3.509 1.00 0.00 H new ATOM 317 N CYS A 23 -3.785 -8.000 0.113 1.00 0.00 N ATOM 318 CA CYS A 23 -3.385 -6.608 0.572 1.00 0.00 C ATOM 319 C CYS A 23 -2.510 -5.973 -0.560 1.00 0.00 C ATOM 320 O CYS A 23 -1.968 -6.762 -1.326 1.00 0.00 O ATOM 321 CB CYS A 23 -2.511 -6.638 1.860 1.00 0.00 C ATOM 322 SG CYS A 23 -3.022 -7.552 3.347 1.00 0.00 S ATOM 0 H CYS A 23 -3.009 -8.578 -0.209 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.295 -6.046 0.782 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.536 -7.029 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.361 -5.602 2.163 1.00 0.00 H new ATOM 327 N TYR A 24 -2.373 -4.644 -0.620 1.00 0.00 N ATOM 328 CA TYR A 24 -1.544 -3.959 -1.707 1.00 0.00 C ATOM 329 C TYR A 24 -0.440 -2.974 -1.261 1.00 0.00 C ATOM 330 O TYR A 24 -0.465 -2.529 -0.125 1.00 0.00 O ATOM 331 CB TYR A 24 -2.437 -3.104 -2.718 1.00 0.00 C ATOM 332 CG TYR A 24 -3.187 -1.789 -2.253 1.00 0.00 C ATOM 333 CD1 TYR A 24 -2.522 -0.607 -1.936 1.00 0.00 C ATOM 334 CD2 TYR A 24 -4.576 -1.760 -2.185 1.00 0.00 C ATOM 335 CE1 TYR A 24 -3.213 0.540 -1.577 1.00 0.00 C ATOM 336 CE2 TYR A 24 -5.265 -0.620 -1.827 1.00 0.00 C ATOM 337 CZ TYR A 24 -4.597 0.547 -1.519 1.00 0.00 C ATOM 338 OH TYR A 24 -5.315 1.678 -1.175 1.00 0.00 O ATOM 0 H TYR A 24 -2.804 -4.001 0.044 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.075 -4.837 -2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.792 -2.823 -3.550 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.196 -3.777 -3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.443 -0.583 -1.971 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.131 -2.656 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.665 1.440 -1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.344 -0.641 -1.787 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.274 1.475 -1.194 1.00 0.00 H new ATOM 348 N LYS A 25 0.498 -2.652 -2.141 1.00 0.00 N ATOM 349 CA LYS A 25 1.609 -1.689 -1.807 1.00 0.00 C ATOM 350 C LYS A 25 1.763 -0.852 -3.111 1.00 0.00 C ATOM 351 O LYS A 25 1.729 -1.508 -4.141 1.00 0.00 O ATOM 352 CB LYS A 25 3.029 -2.334 -1.606 1.00 0.00 C ATOM 353 CG LYS A 25 3.058 -3.780 -0.987 1.00 0.00 C ATOM 354 CD LYS A 25 4.534 -4.141 -0.557 1.00 0.00 C ATOM 355 CE LYS A 25 4.689 -5.665 -0.310 1.00 0.00 C ATOM 356 NZ LYS A 25 6.028 -5.972 0.283 1.00 0.00 N ATOM 0 H LYS A 25 0.537 -3.024 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 25 1.345 -1.180 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.530 -2.366 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.616 -1.676 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.394 -3.831 -0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.692 -4.505 -1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.230 -3.823 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.796 -3.594 0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.901 -6.012 0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.570 -6.205 -1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.111 -6.997 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.776 -5.660 -0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.129 -5.473 1.190 1.00 0.00 H new ATOM 370 N LYS A 26 1.909 0.466 -3.116 1.00 0.00 N ATOM 371 CA LYS A 26 2.067 1.171 -4.446 1.00 0.00 C ATOM 372 C LYS A 26 3.039 2.361 -4.282 1.00 0.00 C ATOM 373 O LYS A 26 3.166 2.815 -3.152 1.00 0.00 O ATOM 374 CB LYS A 26 0.677 1.687 -5.008 1.00 0.00 C ATOM 375 CG LYS A 26 -0.221 2.586 -4.102 1.00 0.00 C ATOM 376 CD LYS A 26 -1.629 2.628 -4.798 1.00 0.00 C ATOM 377 CE LYS A 26 -2.563 3.719 -4.234 1.00 0.00 C ATOM 378 NZ LYS A 26 -2.204 5.056 -4.790 1.00 0.00 N ATOM 0 H LYS A 26 1.925 1.064 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 26 2.467 0.455 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.879 2.242 -5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.090 0.812 -5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.295 2.175 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.198 3.588 -4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.492 2.795 -5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.110 1.656 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.598 3.482 -4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.491 3.740 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.843 5.777 -4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.223 5.287 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.295 5.037 -5.826 1.00 0.00 H new ATOM 392 N VAL A 27 3.660 2.817 -5.365 1.00 0.00 N ATOM 393 CA VAL A 27 4.640 3.971 -5.303 1.00 0.00 C ATOM 394 C VAL A 27 4.415 4.961 -6.482 1.00 0.00 C ATOM 395 O VAL A 27 4.001 4.473 -7.522 1.00 0.00 O ATOM 396 CB VAL A 27 6.099 3.459 -5.459 1.00 0.00 C ATOM 397 CG1 VAL A 27 7.170 4.381 -4.814 1.00 0.00 C ATOM 398 CG2 VAL A 27 6.249 1.967 -5.046 1.00 0.00 C ATOM 0 H VAL A 27 3.526 2.432 -6.300 1.00 0.00 H new ATOM 0 HA VAL A 27 4.482 4.458 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 27 6.308 3.509 -6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.160 3.952 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.127 5.367 -5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.976 4.472 -3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.286 1.657 -5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.960 1.848 -4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.606 1.349 -5.673 1.00 0.00 H new ATOM 408 N TRP A 28 4.667 6.254 -6.343 1.00 0.00 N ATOM 409 CA TRP A 28 4.456 7.154 -7.532 1.00 0.00 C ATOM 410 C TRP A 28 5.444 8.331 -7.363 1.00 0.00 C ATOM 411 O TRP A 28 5.806 8.616 -6.234 1.00 0.00 O ATOM 412 CB TRP A 28 2.966 7.650 -7.613 1.00 0.00 C ATOM 413 CG TRP A 28 2.423 8.685 -6.630 1.00 0.00 C ATOM 414 CD1 TRP A 28 2.511 10.030 -6.796 1.00 0.00 C ATOM 415 CD2 TRP A 28 1.743 8.424 -5.494 1.00 0.00 C ATOM 416 NE1 TRP A 28 1.869 10.488 -5.742 1.00 0.00 N ATOM 417 CE2 TRP A 28 1.366 9.606 -4.894 1.00 0.00 C ATOM 418 CE3 TRP A 28 1.410 7.222 -4.913 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.650 9.581 -3.712 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.697 7.195 -3.732 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.318 8.377 -3.134 1.00 0.00 C ATOM 0 H TRP A 28 4.997 6.708 -5.491 1.00 0.00 H new ATOM 0 HA TRP A 28 4.642 6.625 -8.467 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.819 8.054 -8.615 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.332 6.768 -7.529 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.987 10.584 -7.592 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.763 11.490 -5.584 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.708 6.296 -5.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.351 10.506 -3.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.437 6.250 -3.278 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.241 8.359 -2.210 1.00 0.00 H new ATOM 432 N ARG A 29 5.843 8.984 -8.439 1.00 0.00 N ATOM 433 CA ARG A 29 6.818 10.137 -8.383 1.00 0.00 C ATOM 434 C ARG A 29 6.109 11.411 -8.844 1.00 0.00 C ATOM 435 O ARG A 29 5.141 11.282 -9.569 1.00 0.00 O ATOM 436 CB ARG A 29 8.011 9.874 -9.332 1.00 0.00 C ATOM 437 CG ARG A 29 8.882 8.675 -8.829 1.00 0.00 C ATOM 438 CD ARG A 29 9.686 8.035 -9.999 1.00 0.00 C ATOM 439 NE ARG A 29 8.752 7.137 -10.746 1.00 0.00 N ATOM 440 CZ ARG A 29 9.188 6.234 -11.590 1.00 0.00 C ATOM 441 NH1 ARG A 29 10.467 6.093 -11.811 1.00 0.00 N ATOM 442 NH2 ARG A 29 8.305 5.486 -12.196 1.00 0.00 N ATOM 0 H ARG A 29 5.524 8.759 -9.381 1.00 0.00 H new ATOM 0 HA ARG A 29 7.181 10.244 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.641 9.662 -10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.627 10.770 -9.402 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.570 9.020 -8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.240 7.923 -8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.085 8.807 -10.657 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.537 7.471 -9.617 1.00 0.00 H new ATOM 0 HE ARG A 29 7.748 7.230 -10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.137 6.689 -11.325 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.796 5.387 -12.470 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.311 5.615 -12.006 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.609 4.773 -12.859 1.00 0.00 H new ATOM 456 N ASP A 30 6.576 12.576 -8.452 1.00 0.00 N ATOM 457 CA ASP A 30 5.907 13.846 -8.871 1.00 0.00 C ATOM 458 C ASP A 30 7.035 14.814 -9.188 1.00 0.00 C ATOM 459 O ASP A 30 8.183 14.437 -9.125 1.00 0.00 O ATOM 460 CB ASP A 30 5.064 14.421 -7.717 1.00 0.00 C ATOM 461 CG ASP A 30 3.963 15.375 -8.206 1.00 0.00 C ATOM 462 OD1 ASP A 30 2.932 14.836 -8.572 1.00 0.00 O ATOM 463 OD2 ASP A 30 4.203 16.571 -8.188 1.00 0.00 O ATOM 0 H ASP A 30 7.396 12.699 -7.857 1.00 0.00 H new ATOM 0 HA ASP A 30 5.243 13.680 -9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.609 13.601 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.717 14.951 -7.024 1.00 0.00 H new ATOM 468 N HIS A 31 6.670 16.028 -9.497 1.00 0.00 N ATOM 469 CA HIS A 31 7.671 17.080 -9.835 1.00 0.00 C ATOM 470 C HIS A 31 8.547 17.532 -8.687 1.00 0.00 C ATOM 471 O HIS A 31 9.737 17.658 -8.861 1.00 0.00 O ATOM 472 CB HIS A 31 7.034 18.393 -10.340 1.00 0.00 C ATOM 473 CG HIS A 31 6.550 18.320 -11.802 1.00 0.00 C ATOM 474 ND1 HIS A 31 7.073 18.971 -12.798 1.00 0.00 N ATOM 475 CD2 HIS A 31 5.512 17.599 -12.381 1.00 0.00 C ATOM 476 CE1 HIS A 31 6.433 18.691 -13.887 1.00 0.00 C ATOM 477 NE2 HIS A 31 5.457 17.843 -13.676 1.00 0.00 N ATOM 0 H HIS A 31 5.700 16.341 -9.530 1.00 0.00 H new ATOM 0 HA HIS A 31 8.256 16.566 -10.598 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.190 18.648 -9.699 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.761 19.200 -10.246 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.847 16.935 -11.848 1.00 0.00 H new ATOM 0 HE1 HIS A 31 6.674 19.107 -14.854 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.803 17.459 -14.358 1.00 0.00 H new ATOM 485 N ARG A 32 7.983 17.791 -7.543 1.00 0.00 N ATOM 486 CA ARG A 32 8.830 18.249 -6.413 1.00 0.00 C ATOM 487 C ARG A 32 8.320 17.345 -5.318 1.00 0.00 C ATOM 488 O ARG A 32 7.826 17.822 -4.320 1.00 0.00 O ATOM 489 CB ARG A 32 8.547 19.765 -6.078 1.00 0.00 C ATOM 490 CG ARG A 32 9.775 20.579 -5.520 1.00 0.00 C ATOM 491 CD ARG A 32 10.254 20.162 -4.103 1.00 0.00 C ATOM 492 NE ARG A 32 11.251 21.214 -3.679 1.00 0.00 N ATOM 493 CZ ARG A 32 11.756 21.296 -2.469 1.00 0.00 C ATOM 494 NH1 ARG A 32 11.410 20.444 -1.545 1.00 0.00 N ATOM 495 NH2 ARG A 32 12.610 22.256 -2.222 1.00 0.00 N ATOM 0 H ARG A 32 6.986 17.707 -7.344 1.00 0.00 H new ATOM 0 HA ARG A 32 9.905 18.197 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.188 20.257 -6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.740 19.813 -5.347 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.608 20.471 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.511 21.636 -5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.417 20.113 -3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.713 19.173 -4.121 1.00 0.00 H new ATOM 0 HE ARG A 32 11.549 21.900 -4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.741 19.704 -1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.808 20.517 -0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.866 22.913 -2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.020 22.347 -1.293 1.00 0.00 H new ATOM 509 N GLY A 33 8.406 16.068 -5.490 1.00 0.00 N ATOM 510 CA GLY A 33 7.904 15.189 -4.395 1.00 0.00 C ATOM 511 C GLY A 33 7.835 13.754 -4.924 1.00 0.00 C ATOM 512 O GLY A 33 7.937 13.613 -6.128 1.00 0.00 O ATOM 0 H GLY A 33 8.788 15.597 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.566 15.244 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.919 15.519 -4.064 1.00 0.00 H new ATOM 516 N THR A 34 7.679 12.763 -4.073 1.00 0.00 N ATOM 517 CA THR A 34 7.598 11.327 -4.463 1.00 0.00 C ATOM 518 C THR A 34 6.964 10.683 -3.180 1.00 0.00 C ATOM 519 O THR A 34 7.342 11.172 -2.130 1.00 0.00 O ATOM 520 CB THR A 34 9.081 10.926 -4.762 1.00 0.00 C ATOM 521 OG1 THR A 34 9.369 11.372 -6.087 1.00 0.00 O ATOM 522 CG2 THR A 34 9.379 9.408 -4.710 1.00 0.00 C ATOM 0 H THR A 34 7.601 12.910 -3.067 1.00 0.00 H new ATOM 0 HA THR A 34 7.011 11.036 -5.334 1.00 0.00 H new ATOM 0 HB THR A 34 9.693 11.382 -3.984 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.672 11.995 -6.381 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.432 9.236 -4.931 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.150 9.026 -3.715 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.765 8.891 -5.447 1.00 0.00 H new ATOM 530 N ILE A 35 6.080 9.694 -3.224 1.00 0.00 N ATOM 531 CA ILE A 35 5.537 9.139 -1.935 1.00 0.00 C ATOM 532 C ILE A 35 5.259 7.616 -2.142 1.00 0.00 C ATOM 533 O ILE A 35 5.291 7.167 -3.281 1.00 0.00 O ATOM 534 CB ILE A 35 4.197 9.820 -1.510 1.00 0.00 C ATOM 535 CG1 ILE A 35 4.021 11.195 -2.211 1.00 0.00 C ATOM 536 CG2 ILE A 35 4.246 10.070 0.024 1.00 0.00 C ATOM 537 CD1 ILE A 35 2.797 11.926 -1.625 1.00 0.00 C ATOM 0 H ILE A 35 5.723 9.261 -4.076 1.00 0.00 H new ATOM 0 HA ILE A 35 6.273 9.325 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 35 3.369 9.169 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.917 11.800 -2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.892 11.053 -3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.319 10.546 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.365 9.119 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.088 10.720 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.678 12.890 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.903 11.323 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.944 12.082 -0.556 1.00 0.00 H new ATOM 549 N ILE A 36 4.989 6.913 -1.047 1.00 0.00 N ATOM 550 CA ILE A 36 4.705 5.437 -1.048 1.00 0.00 C ATOM 551 C ILE A 36 3.538 5.152 -0.055 1.00 0.00 C ATOM 552 O ILE A 36 3.494 5.890 0.917 1.00 0.00 O ATOM 553 CB ILE A 36 5.918 4.629 -0.499 1.00 0.00 C ATOM 554 CG1 ILE A 36 7.304 5.305 -0.759 1.00 0.00 C ATOM 555 CG2 ILE A 36 5.946 3.188 -1.015 1.00 0.00 C ATOM 556 CD1 ILE A 36 7.639 6.313 0.359 1.00 0.00 C ATOM 0 H ILE A 36 4.955 7.330 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 36 4.478 5.147 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 36 5.760 4.617 0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.081 4.543 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.290 5.815 -1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.811 2.670 -0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.035 2.674 -0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.012 3.192 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.607 6.771 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.872 7.086 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.675 5.795 1.317 1.00 0.00 H new ATOM 568 N GLU A 37 2.650 4.185 -0.251 1.00 0.00 N ATOM 569 CA GLU A 37 1.587 3.984 0.801 1.00 0.00 C ATOM 570 C GLU A 37 1.224 2.475 0.774 1.00 0.00 C ATOM 571 O GLU A 37 1.539 1.835 -0.218 1.00 0.00 O ATOM 572 CB GLU A 37 0.301 4.901 0.547 1.00 0.00 C ATOM 573 CG GLU A 37 -0.733 4.506 -0.508 1.00 0.00 C ATOM 574 CD GLU A 37 -1.773 5.654 -0.550 1.00 0.00 C ATOM 575 OE1 GLU A 37 -2.315 5.970 0.499 1.00 0.00 O ATOM 576 OE2 GLU A 37 -1.966 6.154 -1.646 1.00 0.00 O ATOM 0 H GLU A 37 2.616 3.557 -1.054 1.00 0.00 H new ATOM 0 HA GLU A 37 1.961 4.282 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.225 4.989 1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.661 5.897 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.263 4.372 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.209 3.560 -0.251 1.00 0.00 H new ATOM 583 N ARG A 38 0.583 1.970 1.816 1.00 0.00 N ATOM 584 CA ARG A 38 0.170 0.515 1.950 1.00 0.00 C ATOM 585 C ARG A 38 -1.367 0.422 2.091 1.00 0.00 C ATOM 586 O ARG A 38 -1.923 1.393 2.567 1.00 0.00 O ATOM 587 CB ARG A 38 0.756 -0.125 3.234 1.00 0.00 C ATOM 588 CG ARG A 38 2.112 -0.892 3.099 1.00 0.00 C ATOM 589 CD ARG A 38 3.405 -0.084 2.805 1.00 0.00 C ATOM 590 NE ARG A 38 4.487 -1.125 2.820 1.00 0.00 N ATOM 591 CZ ARG A 38 5.730 -0.885 2.487 1.00 0.00 C ATOM 592 NH1 ARG A 38 6.100 0.309 2.115 1.00 0.00 N ATOM 593 NH2 ARG A 38 6.574 -1.881 2.541 1.00 0.00 N ATOM 0 H ARG A 38 0.315 2.536 2.621 1.00 0.00 H new ATOM 0 HA ARG A 38 0.537 -0.002 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.887 0.664 3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.015 -0.817 3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.272 -1.444 4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.996 -1.629 2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.350 0.423 1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.578 0.684 3.559 1.00 0.00 H new ATOM 0 HE ARG A 38 4.240 -2.072 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.418 1.067 2.081 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.071 0.485 1.858 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.255 -2.804 2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.552 -1.735 2.289 1.00 0.00 H new ATOM 607 N GLY A 39 -2.016 -0.670 1.729 1.00 0.00 N ATOM 608 CA GLY A 39 -3.507 -0.710 1.878 1.00 0.00 C ATOM 609 C GLY A 39 -4.082 -2.159 1.842 1.00 0.00 C ATOM 610 O GLY A 39 -3.306 -3.099 1.832 1.00 0.00 O ATOM 0 H GLY A 39 -1.587 -1.513 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.786 -0.237 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.963 -0.124 1.080 1.00 0.00 H new ATOM 614 N CYS A 40 -5.399 -2.284 1.802 1.00 0.00 N ATOM 615 CA CYS A 40 -6.128 -3.609 1.777 1.00 0.00 C ATOM 616 C CYS A 40 -6.719 -3.753 0.373 1.00 0.00 C ATOM 617 O CYS A 40 -6.980 -2.759 -0.274 1.00 0.00 O ATOM 618 CB CYS A 40 -7.309 -3.583 2.805 1.00 0.00 C ATOM 619 SG CYS A 40 -8.524 -4.900 3.106 1.00 0.00 S ATOM 0 H CYS A 40 -6.027 -1.480 1.785 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.453 -4.427 2.028 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.846 -3.389 3.773 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.896 -2.701 2.550 1.00 0.00 H new ATOM 624 N GLY A 41 -6.932 -4.952 -0.081 1.00 0.00 N ATOM 625 CA GLY A 41 -7.519 -5.115 -1.450 1.00 0.00 C ATOM 626 C GLY A 41 -6.434 -5.085 -2.535 1.00 0.00 C ATOM 627 O GLY A 41 -5.283 -5.020 -2.164 1.00 0.00 O ATOM 0 H GLY A 41 -6.732 -5.817 0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.063 -6.058 -1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.241 -4.320 -1.634 1.00 0.00 H new ATOM 631 N CYS A 42 -6.788 -5.143 -3.812 1.00 0.00 N ATOM 632 CA CYS A 42 -5.761 -5.109 -4.919 1.00 0.00 C ATOM 633 C CYS A 42 -6.399 -4.650 -6.284 1.00 0.00 C ATOM 634 O CYS A 42 -6.335 -5.398 -7.232 1.00 0.00 O ATOM 635 CB CYS A 42 -5.112 -6.544 -5.112 1.00 0.00 C ATOM 636 SG CYS A 42 -3.651 -6.782 -6.170 1.00 0.00 S ATOM 0 H CYS A 42 -7.753 -5.213 -4.134 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.995 -4.389 -4.630 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.850 -6.911 -4.120 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.894 -7.198 -5.497 1.00 0.00 H new ATOM 641 N PRO A 43 -7.018 -3.493 -6.394 1.00 0.00 N ATOM 642 CA PRO A 43 -7.636 -3.007 -7.693 1.00 0.00 C ATOM 643 C PRO A 43 -6.604 -2.528 -8.783 1.00 0.00 C ATOM 644 O PRO A 43 -5.458 -2.326 -8.442 1.00 0.00 O ATOM 645 CB PRO A 43 -8.579 -1.891 -7.246 1.00 0.00 C ATOM 646 CG PRO A 43 -7.923 -1.342 -5.916 1.00 0.00 C ATOM 647 CD PRO A 43 -7.213 -2.554 -5.264 1.00 0.00 C ATOM 0 HA PRO A 43 -8.142 -3.820 -8.213 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.660 -1.110 -8.002 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.586 -2.268 -7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.214 -0.543 -6.131 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.679 -0.927 -5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.263 -2.267 -4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.820 -2.997 -4.475 1.00 0.00 H new ATOM 655 N THR A 44 -6.997 -2.320 -10.025 1.00 0.00 N ATOM 656 CA THR A 44 -6.021 -1.886 -11.069 1.00 0.00 C ATOM 657 C THR A 44 -5.666 -0.363 -11.118 1.00 0.00 C ATOM 658 O THR A 44 -6.466 0.419 -10.640 1.00 0.00 O ATOM 659 CB THR A 44 -6.673 -2.380 -12.371 1.00 0.00 C ATOM 660 OG1 THR A 44 -8.002 -1.872 -12.240 1.00 0.00 O ATOM 661 CG2 THR A 44 -6.937 -3.915 -12.402 1.00 0.00 C ATOM 0 H THR A 44 -7.956 -2.434 -10.354 1.00 0.00 H new ATOM 0 HA THR A 44 -5.036 -2.305 -10.862 1.00 0.00 H new ATOM 0 HB THR A 44 -6.050 -2.095 -13.219 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.528 -2.125 -13.027 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.398 -4.186 -13.352 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.993 -4.449 -12.292 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.605 -4.186 -11.584 1.00 0.00 H new ATOM 669 N VAL A 45 -4.534 0.017 -11.684 1.00 0.00 N ATOM 670 CA VAL A 45 -4.156 1.453 -11.764 1.00 0.00 C ATOM 671 C VAL A 45 -3.573 1.662 -13.190 1.00 0.00 C ATOM 672 O VAL A 45 -3.535 0.694 -13.927 1.00 0.00 O ATOM 673 CB VAL A 45 -3.122 1.755 -10.636 1.00 0.00 C ATOM 674 CG1 VAL A 45 -3.840 1.558 -9.269 1.00 0.00 C ATOM 675 CG2 VAL A 45 -1.909 0.793 -10.700 1.00 0.00 C ATOM 0 H VAL A 45 -3.856 -0.624 -12.095 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.994 2.134 -11.614 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.753 2.773 -10.759 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.141 1.762 -8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.686 2.242 -9.200 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.197 0.531 -9.190 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.211 1.034 -9.899 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.253 -0.235 -10.584 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.409 0.902 -11.662 1.00 0.00 H new ATOM 685 N LYS A 46 -3.134 2.865 -13.506 1.00 0.00 N ATOM 686 CA LYS A 46 -2.556 3.217 -14.859 1.00 0.00 C ATOM 687 C LYS A 46 -1.047 2.934 -14.907 1.00 0.00 C ATOM 688 O LYS A 46 -0.400 3.085 -13.892 1.00 0.00 O ATOM 689 CB LYS A 46 -2.675 4.739 -15.179 1.00 0.00 C ATOM 690 CG LYS A 46 -4.115 5.329 -15.393 1.00 0.00 C ATOM 691 CD LYS A 46 -4.061 6.874 -15.109 1.00 0.00 C ATOM 692 CE LYS A 46 -5.211 7.655 -15.789 1.00 0.00 C ATOM 693 NZ LYS A 46 -4.875 7.931 -17.218 1.00 0.00 N ATOM 0 H LYS A 46 -3.153 3.651 -12.856 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.122 2.614 -15.569 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.204 5.291 -14.366 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.093 4.939 -16.079 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.455 5.142 -16.412 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.827 4.845 -14.725 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.102 7.042 -14.033 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.106 7.268 -15.457 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.135 7.080 -15.730 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.385 8.593 -15.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.655 8.456 -17.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.004 8.498 -17.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.731 7.032 -17.721 1.00 0.00 H new ATOM 707 N PRO A 47 -0.516 2.560 -16.050 1.00 0.00 N ATOM 708 CA PRO A 47 0.929 2.269 -16.193 1.00 0.00 C ATOM 709 C PRO A 47 1.659 3.583 -16.046 1.00 0.00 C ATOM 710 O PRO A 47 1.867 4.282 -17.018 1.00 0.00 O ATOM 711 CB PRO A 47 1.107 1.660 -17.580 1.00 0.00 C ATOM 712 CG PRO A 47 -0.080 2.255 -18.397 1.00 0.00 C ATOM 713 CD PRO A 47 -1.237 2.370 -17.346 1.00 0.00 C ATOM 0 HA PRO A 47 1.320 1.575 -15.449 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.069 1.930 -18.016 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.066 0.571 -17.548 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.173 3.227 -18.821 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.358 1.607 -19.228 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.896 3.210 -17.565 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.857 1.474 -17.332 1.00 0.00 H new ATOM 721 N GLY A 48 2.028 3.891 -14.854 1.00 0.00 N ATOM 722 CA GLY A 48 2.731 5.148 -14.645 1.00 0.00 C ATOM 723 C GLY A 48 2.899 5.127 -13.147 1.00 0.00 C ATOM 724 O GLY A 48 3.908 5.549 -12.621 1.00 0.00 O ATOM 0 H GLY A 48 1.871 3.325 -14.020 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.687 5.180 -15.168 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.153 6.007 -14.985 1.00 0.00 H new ATOM 728 N ILE A 49 1.904 4.629 -12.475 1.00 0.00 N ATOM 729 CA ILE A 49 1.977 4.568 -11.006 1.00 0.00 C ATOM 730 C ILE A 49 2.471 3.108 -11.016 1.00 0.00 C ATOM 731 O ILE A 49 2.160 2.453 -11.997 1.00 0.00 O ATOM 732 CB ILE A 49 0.498 4.900 -10.594 1.00 0.00 C ATOM 733 CG1 ILE A 49 0.252 6.420 -10.934 1.00 0.00 C ATOM 734 CG2 ILE A 49 0.193 4.635 -9.116 1.00 0.00 C ATOM 735 CD1 ILE A 49 -1.231 6.801 -10.784 1.00 0.00 C ATOM 0 H ILE A 49 1.045 4.263 -12.886 1.00 0.00 H new ATOM 0 HA ILE A 49 2.577 5.190 -10.342 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.170 4.240 -11.148 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.857 7.043 -10.275 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.579 6.623 -11.954 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.847 4.888 -8.908 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.362 3.582 -8.893 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.847 5.247 -8.494 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.362 7.856 -11.026 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.833 6.195 -11.462 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.551 6.622 -9.757 1.00 0.00 H new ATOM 747 N LYS A 50 3.175 2.643 -9.998 1.00 0.00 N ATOM 748 CA LYS A 50 3.695 1.224 -9.974 1.00 0.00 C ATOM 749 C LYS A 50 2.912 0.525 -8.856 1.00 0.00 C ATOM 750 O LYS A 50 2.519 1.213 -7.926 1.00 0.00 O ATOM 751 CB LYS A 50 5.226 1.233 -9.647 1.00 0.00 C ATOM 752 CG LYS A 50 6.019 0.107 -10.393 1.00 0.00 C ATOM 753 CD LYS A 50 7.557 0.297 -10.201 1.00 0.00 C ATOM 754 CE LYS A 50 8.063 -0.384 -8.915 1.00 0.00 C ATOM 755 NZ LYS A 50 8.144 -1.860 -9.120 1.00 0.00 N ATOM 0 H LYS A 50 3.414 3.193 -9.173 1.00 0.00 H new ATOM 0 HA LYS A 50 3.567 0.717 -10.930 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.644 2.203 -9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.363 1.115 -8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.718 -0.869 -10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.775 0.126 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.084 -0.115 -11.062 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.790 1.361 -10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.044 0.009 -8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.392 -0.159 -8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.596 -2.301 -8.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.186 -2.247 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.706 -2.062 -9.971 1.00 0.00 H new ATOM 769 N LEU A 51 2.748 -0.783 -8.968 1.00 0.00 N ATOM 770 CA LEU A 51 1.977 -1.625 -7.974 1.00 0.00 C ATOM 771 C LEU A 51 2.646 -2.964 -7.558 1.00 0.00 C ATOM 772 O LEU A 51 3.470 -3.437 -8.315 1.00 0.00 O ATOM 773 CB LEU A 51 0.624 -1.903 -8.659 1.00 0.00 C ATOM 774 CG LEU A 51 -0.364 -2.842 -7.930 1.00 0.00 C ATOM 775 CD1 LEU A 51 -0.895 -2.186 -6.639 1.00 0.00 C ATOM 776 CD2 LEU A 51 -1.547 -3.152 -8.900 1.00 0.00 C ATOM 0 H LEU A 51 3.134 -1.324 -9.742 1.00 0.00 H new ATOM 0 HA LEU A 51 1.907 -1.077 -7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.125 -0.947 -8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.826 -2.325 -9.643 1.00 0.00 H new ATOM 0 HG LEU A 51 0.147 -3.762 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.588 -2.866 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.061 -1.969 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.412 -1.259 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.258 -3.814 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.046 -2.223 -9.174 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.164 -3.636 -9.798 1.00 0.00 H new ATOM 788 N ASN A 52 2.283 -3.520 -6.408 1.00 0.00 N ATOM 789 CA ASN A 52 2.841 -4.838 -5.895 1.00 0.00 C ATOM 790 C ASN A 52 1.749 -5.417 -4.972 1.00 0.00 C ATOM 791 O ASN A 52 1.179 -4.585 -4.294 1.00 0.00 O ATOM 792 CB ASN A 52 4.078 -4.718 -4.993 1.00 0.00 C ATOM 793 CG ASN A 52 5.372 -4.903 -5.810 1.00 0.00 C ATOM 794 OD1 ASN A 52 5.942 -3.963 -6.327 1.00 0.00 O ATOM 795 ND2 ASN A 52 5.882 -6.101 -5.963 1.00 0.00 N ATOM 0 H ASN A 52 1.598 -3.098 -5.781 1.00 0.00 H new ATOM 0 HA ASN A 52 3.119 -5.426 -6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.086 -3.742 -4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.031 -5.467 -4.203 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.737 -6.226 -6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.424 -6.908 -5.540 1.00 0.00 H new ATOM 802 N CYS A 53 1.452 -6.711 -4.910 1.00 0.00 N ATOM 803 CA CYS A 53 0.364 -7.243 -3.980 1.00 0.00 C ATOM 804 C CYS A 53 0.747 -8.617 -3.399 1.00 0.00 C ATOM 805 O CYS A 53 1.614 -9.236 -3.989 1.00 0.00 O ATOM 806 CB CYS A 53 -0.999 -7.504 -4.678 1.00 0.00 C ATOM 807 SG CYS A 53 -2.008 -6.095 -5.205 1.00 0.00 S ATOM 0 H CYS A 53 1.918 -7.428 -5.466 1.00 0.00 H new ATOM 0 HA CYS A 53 0.272 -6.458 -3.229 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.804 -8.115 -5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -1.605 -8.105 -4.000 1.00 0.00 H new ATOM 812 N CYS A 54 0.121 -9.050 -2.313 1.00 0.00 N ATOM 813 CA CYS A 54 0.456 -10.398 -1.712 1.00 0.00 C ATOM 814 C CYS A 54 -0.778 -11.051 -1.044 1.00 0.00 C ATOM 815 O CYS A 54 -1.768 -10.358 -0.858 1.00 0.00 O ATOM 816 CB CYS A 54 1.587 -10.270 -0.643 1.00 0.00 C ATOM 817 SG CYS A 54 1.762 -8.794 0.395 1.00 0.00 S ATOM 0 H CYS A 54 -0.604 -8.529 -1.820 1.00 0.00 H new ATOM 0 HA CYS A 54 0.793 -11.028 -2.535 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.479 -11.119 0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.533 -10.399 -1.169 1.00 0.00 H new ATOM 822 N THR A 55 -0.687 -12.326 -0.716 1.00 0.00 N ATOM 823 CA THR A 55 -1.817 -13.039 -0.075 1.00 0.00 C ATOM 824 C THR A 55 -1.395 -13.664 1.289 1.00 0.00 C ATOM 825 O THR A 55 -2.224 -14.134 2.048 1.00 0.00 O ATOM 826 CB THR A 55 -2.266 -14.139 -1.058 1.00 0.00 C ATOM 827 OG1 THR A 55 -1.081 -14.916 -1.252 1.00 0.00 O ATOM 828 CG2 THR A 55 -2.535 -13.595 -2.486 1.00 0.00 C ATOM 0 H THR A 55 0.142 -12.900 -0.874 1.00 0.00 H new ATOM 0 HA THR A 55 -2.630 -12.345 0.139 1.00 0.00 H new ATOM 0 HB THR A 55 -3.156 -14.629 -0.664 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.270 -15.652 -1.871 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.848 -14.414 -3.134 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.322 -12.842 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.624 -13.146 -2.882 1.00 0.00 H new ATOM 836 N THR A 56 -0.134 -13.665 1.593 1.00 0.00 N ATOM 837 CA THR A 56 0.223 -14.284 2.874 1.00 0.00 C ATOM 838 C THR A 56 0.043 -13.264 4.006 1.00 0.00 C ATOM 839 O THR A 56 0.060 -12.073 3.780 1.00 0.00 O ATOM 840 CB THR A 56 1.656 -14.764 2.631 1.00 0.00 C ATOM 841 OG1 THR A 56 2.088 -13.861 1.611 1.00 0.00 O ATOM 842 CG2 THR A 56 1.695 -16.156 1.927 1.00 0.00 C ATOM 0 H THR A 56 0.629 -13.281 1.035 1.00 0.00 H new ATOM 0 HA THR A 56 -0.399 -15.120 3.192 1.00 0.00 H new ATOM 0 HB THR A 56 2.220 -14.813 3.563 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.013 -14.067 1.362 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.731 -16.458 1.774 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.191 -16.894 2.551 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.190 -16.090 0.963 1.00 0.00 H new ATOM 850 N ASP A 57 -0.109 -13.762 5.198 1.00 0.00 N ATOM 851 CA ASP A 57 -0.306 -12.845 6.342 1.00 0.00 C ATOM 852 C ASP A 57 0.913 -12.013 6.674 1.00 0.00 C ATOM 853 O ASP A 57 2.007 -12.534 6.722 1.00 0.00 O ATOM 854 CB ASP A 57 -0.688 -13.654 7.584 1.00 0.00 C ATOM 855 CG ASP A 57 -2.096 -14.245 7.406 1.00 0.00 C ATOM 856 OD1 ASP A 57 -2.193 -15.289 6.780 1.00 0.00 O ATOM 857 OD2 ASP A 57 -3.002 -13.601 7.910 1.00 0.00 O ATOM 0 H ASP A 57 -0.105 -14.756 5.426 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.098 -12.157 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.035 -14.454 7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.660 -13.016 8.468 1.00 0.00 H new ATOM 862 N LYS A 58 0.605 -10.763 6.909 1.00 0.00 N ATOM 863 CA LYS A 58 1.549 -9.663 7.267 1.00 0.00 C ATOM 864 C LYS A 58 2.806 -9.683 6.404 1.00 0.00 C ATOM 865 O LYS A 58 3.908 -9.648 6.913 1.00 0.00 O ATOM 866 CB LYS A 58 1.968 -9.778 8.761 1.00 0.00 C ATOM 867 CG LYS A 58 0.718 -10.046 9.691 1.00 0.00 C ATOM 868 CD LYS A 58 0.983 -9.500 11.130 1.00 0.00 C ATOM 869 CE LYS A 58 -0.089 -9.984 12.141 1.00 0.00 C ATOM 870 NZ LYS A 58 0.213 -11.371 12.601 1.00 0.00 N ATOM 0 H LYS A 58 -0.360 -10.437 6.860 1.00 0.00 H new ATOM 0 HA LYS A 58 1.023 -8.724 7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.690 -10.587 8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.465 -8.860 9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.166 -9.566 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.511 -11.115 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.969 -9.823 11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.995 -8.410 11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.121 -9.310 12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.075 -9.955 11.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.515 -11.679 13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.220 -12.014 11.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.144 -11.388 13.063 1.00 0.00 H new ATOM 884 N CYS A 59 2.588 -9.706 5.122 1.00 0.00 N ATOM 885 CA CYS A 59 3.703 -9.735 4.137 1.00 0.00 C ATOM 886 C CYS A 59 4.399 -8.410 3.951 1.00 0.00 C ATOM 887 O CYS A 59 5.580 -8.330 3.690 1.00 0.00 O ATOM 888 CB CYS A 59 3.156 -10.165 2.781 1.00 0.00 C ATOM 889 SG CYS A 59 1.550 -9.471 2.289 1.00 0.00 S ATOM 0 H CYS A 59 1.658 -9.706 4.704 1.00 0.00 H new ATOM 0 HA CYS A 59 4.438 -10.435 4.536 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.889 -9.899 2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.072 -11.252 2.777 1.00 0.00 H new ATOM 894 N ASN A 60 3.641 -7.377 4.091 1.00 0.00 N ATOM 895 CA ASN A 60 4.234 -6.025 3.909 1.00 0.00 C ATOM 896 C ASN A 60 5.022 -5.536 5.077 1.00 0.00 C ATOM 897 O ASN A 60 5.539 -4.439 5.034 1.00 0.00 O ATOM 898 CB ASN A 60 3.145 -4.954 3.635 1.00 0.00 C ATOM 899 CG ASN A 60 1.761 -5.361 4.202 1.00 0.00 C ATOM 900 OD1 ASN A 60 1.660 -5.941 5.274 1.00 0.00 O ATOM 901 ND2 ASN A 60 0.678 -5.078 3.513 1.00 0.00 N ATOM 0 H ASN A 60 2.647 -7.399 4.321 1.00 0.00 H new ATOM 0 HA ASN A 60 4.902 -6.153 3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.452 -4.006 4.078 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.061 -4.792 2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.239 -5.342 3.873 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.755 -4.594 2.618 1.00 0.00 H new ATOM 908 N ASN A 61 5.124 -6.338 6.085 1.00 0.00 N ATOM 909 CA ASN A 61 5.892 -5.891 7.291 1.00 0.00 C ATOM 910 C ASN A 61 7.375 -5.967 7.030 1.00 0.00 C ATOM 911 O ASN A 61 8.092 -5.150 7.583 1.00 0.00 O ATOM 912 CB ASN A 61 5.555 -6.789 8.475 1.00 0.00 C ATOM 913 CG ASN A 61 6.178 -6.207 9.748 1.00 0.00 C ATOM 914 OD1 ASN A 61 7.291 -6.531 10.111 1.00 0.00 O ATOM 915 ND2 ASN A 61 5.498 -5.344 10.459 1.00 0.00 N ATOM 916 OXT ASN A 61 7.713 -6.861 6.276 1.00 0.00 O ATOM 0 H ASN A 61 4.720 -7.273 6.139 1.00 0.00 H new ATOM 0 HA ASN A 61 5.617 -4.860 7.512 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.474 -6.868 8.589 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.932 -7.797 8.300 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.904 -4.951 11.308 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.562 -5.065 10.164 1.00 0.00 H new TER 923 ASN A 61