USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 485 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 53 SER OG : rot 180:sc= 0.811 USER MOD Set 1.2: A 56 THR OG1 : rot 88:sc= 0.915 USER MOD Set 2.1: A 37 SER OG : rot 60:sc= 0.618 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.682 X(o=1.3,f=0.99) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 5 THR OG1 : rot -140:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -32:sc= 0.931 USER MOD Single : A 26 SER OG : rot -30:sc= 0.698 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc=-0.00796 (180deg=-0.0964) USER MOD Single : A 32 LYS NZ :NH3+ -113:sc= 0.00461 (180deg=-0.604) USER MOD Single : A 33 SER OG : rot -92:sc= 0.162 USER MOD Single : A 41 SER OG : rot -13:sc= 0.681 USER MOD Single : A 42 ASN : amide:sc= -0.0414 K(o=-0.041,f=-0.64) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 64 MET CE :methyl -169:sc= 0 (180deg=-0.136) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 1.222 -19.836 1.423 1.00 0.00 N ATOM 37 CA GLN A 3 -0.159 -19.367 1.414 1.00 0.00 C ATOM 38 C GLN A 3 -0.181 -17.846 1.562 1.00 0.00 C ATOM 39 O GLN A 3 0.817 -17.244 1.956 1.00 0.00 O ATOM 40 CB GLN A 3 -0.966 -20.015 2.547 1.00 0.00 C ATOM 41 CG GLN A 3 -1.327 -21.474 2.256 1.00 0.00 C ATOM 42 CD GLN A 3 -2.307 -22.038 3.286 1.00 0.00 C ATOM 43 OE1 GLN A 3 -1.982 -22.971 4.014 1.00 0.00 O ATOM 44 NE2 GLN A 3 -3.516 -21.477 3.346 1.00 0.00 N ATOM 0 HA GLN A 3 -0.617 -19.650 0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.391 -19.965 3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.880 -19.444 2.709 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.765 -21.548 1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.420 -22.078 2.250 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.750 -20.703 2.725 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.206 -21.822 4.013 1.00 0.00 H new ATOM 53 N GLU A 4 -1.333 -17.239 1.250 1.00 0.00 N ATOM 54 CA GLU A 4 -1.591 -15.814 1.402 1.00 0.00 C ATOM 55 C GLU A 4 -2.826 -15.606 2.276 1.00 0.00 C ATOM 56 O GLU A 4 -3.687 -16.481 2.357 1.00 0.00 O ATOM 57 CB GLU A 4 -1.788 -15.156 0.031 1.00 0.00 C ATOM 58 CG GLU A 4 -0.503 -15.208 -0.802 1.00 0.00 C ATOM 59 CD GLU A 4 -0.649 -14.418 -2.098 1.00 0.00 C ATOM 60 OE1 GLU A 4 -1.311 -14.949 -3.015 1.00 0.00 O ATOM 61 OE2 GLU A 4 -0.095 -13.298 -2.149 1.00 0.00 O ATOM 0 H GLU A 4 -2.132 -17.748 0.873 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.732 -15.347 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.592 -15.661 -0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.096 -14.119 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.326 -14.806 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.258 -16.245 -1.032 1.00 0.00 H new ATOM 68 N THR A 5 -2.901 -14.442 2.934 1.00 0.00 N ATOM 69 CA THR A 5 -4.020 -14.063 3.781 1.00 0.00 C ATOM 70 C THR A 5 -4.190 -12.545 3.773 1.00 0.00 C ATOM 71 O THR A 5 -3.204 -11.808 3.720 1.00 0.00 O ATOM 72 CB THR A 5 -3.827 -14.610 5.206 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.970 -14.331 5.989 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.595 -14.030 5.913 1.00 0.00 C ATOM 0 H THR A 5 -2.170 -13.732 2.887 1.00 0.00 H new ATOM 0 HA THR A 5 -4.935 -14.504 3.386 1.00 0.00 H new ATOM 0 HB THR A 5 -3.676 -15.685 5.104 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.692 -14.069 6.892 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.515 -14.456 6.913 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.699 -14.275 5.342 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.694 -12.947 5.987 1.00 0.00 H new ATOM 82 N VAL A 6 -5.449 -12.097 3.837 1.00 0.00 N ATOM 83 CA VAL A 6 -5.827 -10.702 3.998 1.00 0.00 C ATOM 84 C VAL A 6 -6.393 -10.555 5.408 1.00 0.00 C ATOM 85 O VAL A 6 -7.421 -11.149 5.730 1.00 0.00 O ATOM 86 CB VAL A 6 -6.843 -10.288 2.919 1.00 0.00 C ATOM 87 CG1 VAL A 6 -7.248 -8.818 3.096 1.00 0.00 C ATOM 88 CG2 VAL A 6 -6.248 -10.464 1.516 1.00 0.00 C ATOM 0 H VAL A 6 -6.253 -12.721 3.775 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.969 -10.041 3.874 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.718 -10.928 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.967 -8.543 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.700 -8.681 4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.365 -8.185 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.983 -10.165 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.358 -9.843 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.979 -11.509 1.363 1.00 0.00 H new ATOM 98 N ILE A 7 -5.709 -9.768 6.241 1.00 0.00 N ATOM 99 CA ILE A 7 -6.109 -9.459 7.603 1.00 0.00 C ATOM 100 C ILE A 7 -6.508 -7.988 7.600 1.00 0.00 C ATOM 101 O ILE A 7 -5.676 -7.141 7.303 1.00 0.00 O ATOM 102 CB ILE A 7 -4.938 -9.743 8.566 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.472 -11.205 8.413 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.357 -9.448 10.015 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.293 -11.568 9.317 1.00 0.00 C ATOM 0 H ILE A 7 -4.835 -9.317 5.971 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.943 -10.073 7.943 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.103 -9.089 8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.307 -11.869 8.635 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.191 -11.382 7.375 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.521 -9.653 10.684 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.645 -8.401 10.104 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.202 -10.081 10.286 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.019 -12.611 9.156 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.443 -10.929 9.080 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.576 -11.424 10.360 1.00 0.00 H new ATOM 117 N ASN A 8 -7.767 -7.673 7.913 1.00 0.00 N ATOM 118 CA ASN A 8 -8.245 -6.300 7.995 1.00 0.00 C ATOM 119 C ASN A 8 -7.742 -5.678 9.296 1.00 0.00 C ATOM 120 O ASN A 8 -8.018 -6.206 10.373 1.00 0.00 O ATOM 121 CB ASN A 8 -9.776 -6.272 7.913 1.00 0.00 C ATOM 122 CG ASN A 8 -10.289 -6.849 6.595 1.00 0.00 C ATOM 123 OD1 ASN A 8 -9.660 -6.694 5.550 1.00 0.00 O ATOM 124 ND2 ASN A 8 -11.436 -7.530 6.637 1.00 0.00 N ATOM 0 H ASN A 8 -8.483 -8.370 8.117 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.861 -5.717 7.158 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.194 -6.840 8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.126 -5.245 8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.817 -7.941 5.785 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.932 -7.639 7.522 1.00 0.00 H new ATOM 131 N ILE A 9 -6.996 -4.570 9.184 1.00 0.00 N ATOM 132 CA ILE A 9 -6.358 -3.883 10.298 1.00 0.00 C ATOM 133 C ILE A 9 -6.941 -2.474 10.383 1.00 0.00 C ATOM 134 O ILE A 9 -6.656 -1.640 9.525 1.00 0.00 O ATOM 135 CB ILE A 9 -4.827 -3.815 10.124 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.202 -5.162 9.729 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.215 -3.318 11.445 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.725 -5.024 9.342 1.00 0.00 C ATOM 0 H ILE A 9 -6.819 -4.120 8.286 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.551 -4.436 11.217 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.611 -3.129 9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.294 -5.861 10.560 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.757 -5.587 8.892 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.131 -3.262 11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.610 -2.329 11.680 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.470 -4.010 12.247 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.327 -6.002 9.071 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.633 -4.347 8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.163 -4.625 10.187 1.00 0.00 H new ATOM 150 N ASP A 10 -7.732 -2.205 11.425 1.00 0.00 N ATOM 151 CA ASP A 10 -8.231 -0.870 11.719 1.00 0.00 C ATOM 152 C ASP A 10 -7.371 -0.249 12.825 1.00 0.00 C ATOM 153 O ASP A 10 -6.851 -0.956 13.689 1.00 0.00 O ATOM 154 CB ASP A 10 -9.720 -0.938 12.085 1.00 0.00 C ATOM 155 CG ASP A 10 -10.261 0.415 12.539 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.332 1.317 11.677 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.588 0.525 13.741 1.00 0.00 O ATOM 0 H ASP A 10 -8.043 -2.915 12.088 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.155 -0.227 10.842 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.289 -1.285 11.223 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.865 -1.671 12.879 1.00 0.00 H new ATOM 162 N GLY A 11 -7.216 1.080 12.776 1.00 0.00 N ATOM 163 CA GLY A 11 -6.449 1.857 13.739 1.00 0.00 C ATOM 164 C GLY A 11 -5.043 2.218 13.252 1.00 0.00 C ATOM 165 O GLY A 11 -4.288 2.821 14.015 1.00 0.00 O ATOM 0 H GLY A 11 -7.634 1.653 12.043 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.992 2.774 13.969 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.369 1.293 14.668 1.00 0.00 H new ATOM 169 N MET A 12 -4.680 1.871 12.005 1.00 0.00 N ATOM 170 CA MET A 12 -3.377 2.194 11.434 1.00 0.00 C ATOM 171 C MET A 12 -3.292 3.695 11.156 1.00 0.00 C ATOM 172 O MET A 12 -3.599 4.155 10.057 1.00 0.00 O ATOM 173 CB MET A 12 -3.116 1.382 10.159 1.00 0.00 C ATOM 174 CG MET A 12 -3.119 -0.124 10.425 1.00 0.00 C ATOM 175 SD MET A 12 -2.346 -1.124 9.123 1.00 0.00 S ATOM 176 CE MET A 12 -3.454 -0.777 7.736 1.00 0.00 C ATOM 0 H MET A 12 -5.290 1.357 11.369 1.00 0.00 H new ATOM 0 HA MET A 12 -2.604 1.926 12.154 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.877 1.620 9.416 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.155 1.673 9.735 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.602 -0.314 11.366 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.150 -0.454 10.555 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.114 -1.320 6.854 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.465 -1.094 7.990 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.451 0.293 7.527 1.00 0.00 H new ATOM 225 N SER A 16 3.142 5.289 9.341 1.00 0.00 N ATOM 226 CA SER A 16 4.045 5.249 10.482 1.00 0.00 C ATOM 227 C SER A 16 3.659 4.016 11.297 1.00 0.00 C ATOM 228 O SER A 16 4.502 3.171 11.592 1.00 0.00 O ATOM 229 CB SER A 16 3.917 6.531 11.317 1.00 0.00 C ATOM 230 OG SER A 16 4.499 7.628 10.645 1.00 0.00 O ATOM 0 HA SER A 16 5.085 5.189 10.163 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.865 6.737 11.516 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.403 6.391 12.283 1.00 0.00 H new ATOM 0 HG SER A 16 4.405 8.435 11.193 1.00 0.00 H new ATOM 236 N CYS A 17 2.365 3.906 11.629 1.00 0.00 N ATOM 237 CA CYS A 17 1.789 2.692 12.188 1.00 0.00 C ATOM 238 C CYS A 17 1.964 1.569 11.168 1.00 0.00 C ATOM 239 O CYS A 17 2.459 0.498 11.505 1.00 0.00 O ATOM 240 CB CYS A 17 0.305 2.911 12.496 1.00 0.00 C ATOM 241 SG CYS A 17 0.138 3.995 13.936 1.00 0.00 S ATOM 0 H CYS A 17 1.692 4.664 11.514 1.00 0.00 H new ATOM 0 HA CYS A 17 2.291 2.427 13.119 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.194 3.354 11.634 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.182 1.955 12.689 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.122 4.181 14.195 1.00 0.00 H new ATOM 247 N VAL A 18 1.586 1.843 9.914 1.00 0.00 N ATOM 248 CA VAL A 18 1.766 0.959 8.770 1.00 0.00 C ATOM 249 C VAL A 18 3.212 0.459 8.708 1.00 0.00 C ATOM 250 O VAL A 18 3.450 -0.743 8.616 1.00 0.00 O ATOM 251 CB VAL A 18 1.405 1.734 7.490 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.688 0.923 6.222 1.00 0.00 C ATOM 253 CG2 VAL A 18 -0.072 2.148 7.494 1.00 0.00 C ATOM 0 H VAL A 18 1.130 2.721 9.665 1.00 0.00 H new ATOM 0 HA VAL A 18 1.116 0.090 8.866 1.00 0.00 H new ATOM 0 HB VAL A 18 2.037 2.622 7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.417 1.512 5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.748 0.674 6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.100 0.005 6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.299 2.694 6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.699 1.258 7.551 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.269 2.787 8.355 1.00 0.00 H new ATOM 263 N GLN A 19 4.166 1.397 8.762 1.00 0.00 N ATOM 264 CA GLN A 19 5.591 1.117 8.673 1.00 0.00 C ATOM 265 C GLN A 19 6.044 0.197 9.808 1.00 0.00 C ATOM 266 O GLN A 19 6.731 -0.789 9.554 1.00 0.00 O ATOM 267 CB GLN A 19 6.362 2.443 8.667 1.00 0.00 C ATOM 268 CG GLN A 19 7.861 2.235 8.421 1.00 0.00 C ATOM 269 CD GLN A 19 8.596 3.568 8.334 1.00 0.00 C ATOM 270 OE1 GLN A 19 9.082 3.946 7.270 1.00 0.00 O ATOM 271 NE2 GLN A 19 8.682 4.289 9.454 1.00 0.00 N ATOM 0 H GLN A 19 3.957 2.389 8.871 1.00 0.00 H new ATOM 0 HA GLN A 19 5.801 0.587 7.744 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.955 3.095 7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.218 2.950 9.621 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.285 1.635 9.227 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.006 1.676 7.497 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.266 3.941 10.318 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.164 5.188 9.446 1.00 0.00 H new ATOM 280 N SER A 20 5.665 0.516 11.055 1.00 0.00 N ATOM 281 CA SER A 20 6.063 -0.257 12.224 1.00 0.00 C ATOM 282 C SER A 20 5.530 -1.690 12.153 1.00 0.00 C ATOM 283 O SER A 20 6.290 -2.632 12.367 1.00 0.00 O ATOM 284 CB SER A 20 5.642 0.461 13.513 1.00 0.00 C ATOM 285 OG SER A 20 4.239 0.511 13.651 1.00 0.00 O ATOM 0 H SER A 20 5.074 1.318 11.273 1.00 0.00 H new ATOM 0 HA SER A 20 7.150 -0.333 12.235 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.074 -0.052 14.372 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.043 1.474 13.512 1.00 0.00 H new ATOM 0 HG SER A 20 3.825 0.561 12.764 1.00 0.00 H new ATOM 291 N ILE A 21 4.236 -1.853 11.838 1.00 0.00 N ATOM 292 CA ILE A 21 3.602 -3.156 11.667 1.00 0.00 C ATOM 293 C ILE A 21 4.380 -3.953 10.621 1.00 0.00 C ATOM 294 O ILE A 21 4.901 -5.022 10.929 1.00 0.00 O ATOM 295 CB ILE A 21 2.125 -2.994 11.258 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.299 -2.322 12.369 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.499 -4.359 10.929 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.013 -1.709 11.801 1.00 0.00 C ATOM 0 H ILE A 21 3.598 -1.070 11.695 1.00 0.00 H new ATOM 0 HA ILE A 21 3.619 -3.697 12.613 1.00 0.00 H new ATOM 0 HB ILE A 21 2.108 -2.358 10.373 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.049 -3.055 13.136 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.894 -1.546 12.851 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.456 -4.222 10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.044 -4.820 10.105 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.553 -5.005 11.806 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.553 -1.240 12.606 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.267 -0.959 11.052 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.591 -2.491 11.341 1.00 0.00 H new ATOM 310 N GLU A 22 4.455 -3.427 9.392 1.00 0.00 N ATOM 311 CA GLU A 22 5.087 -4.094 8.264 1.00 0.00 C ATOM 312 C GLU A 22 6.515 -4.522 8.611 1.00 0.00 C ATOM 313 O GLU A 22 6.881 -5.673 8.384 1.00 0.00 O ATOM 314 CB GLU A 22 5.034 -3.173 7.039 1.00 0.00 C ATOM 315 CG GLU A 22 5.428 -3.920 5.761 1.00 0.00 C ATOM 316 CD GLU A 22 5.097 -3.095 4.521 1.00 0.00 C ATOM 317 OE1 GLU A 22 5.900 -2.190 4.208 1.00 0.00 O ATOM 318 OE2 GLU A 22 4.044 -3.382 3.910 1.00 0.00 O ATOM 0 H GLU A 22 4.070 -2.512 9.158 1.00 0.00 H new ATOM 0 HA GLU A 22 4.543 -5.008 8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.028 -2.768 6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.704 -2.327 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.495 -4.143 5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.904 -4.875 5.717 1.00 0.00 H new ATOM 325 N GLY A 23 7.302 -3.603 9.180 1.00 0.00 N ATOM 326 CA GLY A 23 8.671 -3.847 9.602 1.00 0.00 C ATOM 327 C GLY A 23 8.770 -5.034 10.560 1.00 0.00 C ATOM 328 O GLY A 23 9.489 -5.988 10.276 1.00 0.00 O ATOM 0 H GLY A 23 6.990 -2.649 9.361 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.293 -4.034 8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.065 -2.955 10.088 1.00 0.00 H new ATOM 332 N VAL A 24 8.055 -4.981 11.689 1.00 0.00 N ATOM 333 CA VAL A 24 8.131 -6.013 12.715 1.00 0.00 C ATOM 334 C VAL A 24 7.658 -7.365 12.168 1.00 0.00 C ATOM 335 O VAL A 24 8.385 -8.351 12.276 1.00 0.00 O ATOM 336 CB VAL A 24 7.358 -5.570 13.973 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.290 -6.695 15.014 1.00 0.00 C ATOM 338 CG2 VAL A 24 8.065 -4.370 14.620 1.00 0.00 C ATOM 0 H VAL A 24 7.411 -4.222 11.912 1.00 0.00 H new ATOM 0 HA VAL A 24 9.171 -6.150 13.010 1.00 0.00 H new ATOM 0 HB VAL A 24 6.348 -5.307 13.661 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.738 -6.349 15.888 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.783 -7.559 14.584 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.300 -6.978 15.311 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.516 -4.060 15.509 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.079 -4.653 14.901 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.103 -3.544 13.910 1.00 0.00 H new ATOM 348 N ILE A 25 6.456 -7.415 11.581 1.00 0.00 N ATOM 349 CA ILE A 25 5.858 -8.643 11.068 1.00 0.00 C ATOM 350 C ILE A 25 6.759 -9.282 10.000 1.00 0.00 C ATOM 351 O ILE A 25 6.987 -10.490 10.050 1.00 0.00 O ATOM 352 CB ILE A 25 4.411 -8.378 10.590 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.394 -8.433 11.750 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.936 -9.419 9.567 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.648 -7.468 12.912 1.00 0.00 C ATOM 0 H ILE A 25 5.868 -6.592 11.450 1.00 0.00 H new ATOM 0 HA ILE A 25 5.783 -9.377 11.870 1.00 0.00 H new ATOM 0 HB ILE A 25 4.448 -7.383 10.147 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.402 -8.231 11.347 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.377 -9.449 12.144 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.915 -9.190 9.262 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.589 -9.396 8.695 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.966 -10.411 10.017 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.872 -7.595 13.667 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.622 -7.679 13.354 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.631 -6.442 12.544 1.00 0.00 H new ATOM 367 N SER A 26 7.281 -8.493 9.048 1.00 0.00 N ATOM 368 CA SER A 26 8.135 -8.998 7.973 1.00 0.00 C ATOM 369 C SER A 26 9.385 -9.720 8.486 1.00 0.00 C ATOM 370 O SER A 26 9.900 -10.601 7.801 1.00 0.00 O ATOM 371 CB SER A 26 8.530 -7.874 7.008 1.00 0.00 C ATOM 372 OG SER A 26 9.344 -6.912 7.644 1.00 0.00 O ATOM 0 H SER A 26 7.120 -7.487 9.006 1.00 0.00 H new ATOM 0 HA SER A 26 7.539 -9.737 7.437 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.061 -8.295 6.154 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.632 -7.394 6.619 1.00 0.00 H new ATOM 0 HG SER A 26 9.114 -6.867 8.596 1.00 0.00 H new ATOM 378 N LYS A 27 9.867 -9.358 9.682 1.00 0.00 N ATOM 379 CA LYS A 27 11.092 -9.900 10.250 1.00 0.00 C ATOM 380 C LYS A 27 10.830 -11.170 11.067 1.00 0.00 C ATOM 381 O LYS A 27 11.790 -11.805 11.502 1.00 0.00 O ATOM 382 CB LYS A 27 11.768 -8.824 11.110 1.00 0.00 C ATOM 383 CG LYS A 27 12.301 -7.677 10.241 1.00 0.00 C ATOM 384 CD LYS A 27 12.772 -6.517 11.122 1.00 0.00 C ATOM 385 CE LYS A 27 13.246 -5.347 10.254 1.00 0.00 C ATOM 386 NZ LYS A 27 13.685 -4.212 11.081 1.00 0.00 N ATOM 0 H LYS A 27 9.407 -8.673 10.282 1.00 0.00 H new ATOM 0 HA LYS A 27 11.756 -10.185 9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.055 -8.433 11.836 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.588 -9.268 11.675 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.126 -8.032 9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.521 -7.333 9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.959 -6.191 11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.583 -6.850 11.770 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.067 -5.674 9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.438 -5.029 9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.000 -3.435 10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.893 -3.886 11.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.472 -4.511 11.691 1.00 0.00 H new ATOM 400 N LYS A 28 9.564 -11.568 11.266 1.00 0.00 N ATOM 401 CA LYS A 28 9.236 -12.823 11.928 1.00 0.00 C ATOM 402 C LYS A 28 9.409 -13.976 10.929 1.00 0.00 C ATOM 403 O LYS A 28 8.773 -13.941 9.875 1.00 0.00 O ATOM 404 CB LYS A 28 7.803 -12.791 12.476 1.00 0.00 C ATOM 405 CG LYS A 28 7.632 -11.666 13.503 1.00 0.00 C ATOM 406 CD LYS A 28 6.328 -11.846 14.291 1.00 0.00 C ATOM 407 CE LYS A 28 6.047 -10.652 15.209 1.00 0.00 C ATOM 408 NZ LYS A 28 7.157 -10.382 16.138 1.00 0.00 N ATOM 0 H LYS A 28 8.750 -11.028 10.972 1.00 0.00 H new ATOM 0 HA LYS A 28 9.909 -12.972 12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.099 -12.649 11.656 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.565 -13.749 12.938 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.479 -11.661 14.189 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.626 -10.701 12.996 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.498 -11.973 13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.387 -12.757 14.887 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.862 -9.766 14.601 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.138 -10.842 15.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.872 -9.645 16.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.397 -11.252 16.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.987 -10.058 15.602 1.00 0.00 H new ATOM 422 N PRO A 29 10.245 -14.991 11.232 1.00 0.00 N ATOM 423 CA PRO A 29 10.432 -16.165 10.387 1.00 0.00 C ATOM 424 C PRO A 29 9.101 -16.795 9.976 1.00 0.00 C ATOM 425 O PRO A 29 8.342 -17.252 10.831 1.00 0.00 O ATOM 426 CB PRO A 29 11.287 -17.139 11.205 1.00 0.00 C ATOM 427 CG PRO A 29 12.103 -16.205 12.093 1.00 0.00 C ATOM 428 CD PRO A 29 11.111 -15.083 12.398 1.00 0.00 C ATOM 0 HA PRO A 29 10.921 -15.896 9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.673 -17.822 11.792 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.925 -17.751 10.568 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.443 -16.703 13.001 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.991 -15.833 11.582 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.535 -15.304 13.296 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.629 -14.141 12.576 1.00 0.00 H new ATOM 436 N GLY A 30 8.824 -16.800 8.668 1.00 0.00 N ATOM 437 CA GLY A 30 7.587 -17.311 8.105 1.00 0.00 C ATOM 438 C GLY A 30 7.051 -16.377 7.031 1.00 0.00 C ATOM 439 O GLY A 30 6.635 -16.847 5.974 1.00 0.00 O ATOM 0 H GLY A 30 9.470 -16.441 7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.758 -18.300 7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.845 -17.427 8.895 1.00 0.00 H new ATOM 443 N VAL A 31 7.058 -15.064 7.295 1.00 0.00 N ATOM 444 CA VAL A 31 6.570 -14.071 6.350 1.00 0.00 C ATOM 445 C VAL A 31 7.537 -13.962 5.171 1.00 0.00 C ATOM 446 O VAL A 31 8.744 -13.823 5.367 1.00 0.00 O ATOM 447 CB VAL A 31 6.367 -12.714 7.043 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.885 -11.658 6.036 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.317 -12.849 8.149 1.00 0.00 C ATOM 0 H VAL A 31 7.403 -14.668 8.170 1.00 0.00 H new ATOM 0 HA VAL A 31 5.599 -14.387 5.968 1.00 0.00 H new ATOM 0 HB VAL A 31 7.322 -12.402 7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.747 -10.705 6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.627 -11.543 5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.938 -11.976 5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.177 -11.885 8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.372 -13.177 7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.653 -13.581 8.883 1.00 0.00 H new ATOM 459 N LYS A 32 6.989 -14.026 3.953 1.00 0.00 N ATOM 460 CA LYS A 32 7.713 -13.863 2.705 1.00 0.00 C ATOM 461 C LYS A 32 7.542 -12.407 2.259 1.00 0.00 C ATOM 462 O LYS A 32 8.219 -11.534 2.797 1.00 0.00 O ATOM 463 CB LYS A 32 7.221 -14.902 1.682 1.00 0.00 C ATOM 464 CG LYS A 32 7.541 -16.326 2.161 1.00 0.00 C ATOM 465 CD LYS A 32 6.980 -17.432 1.256 1.00 0.00 C ATOM 466 CE LYS A 32 7.573 -17.436 -0.160 1.00 0.00 C ATOM 467 NZ LYS A 32 6.810 -16.581 -1.085 1.00 0.00 N ATOM 0 H LYS A 32 5.994 -14.199 3.813 1.00 0.00 H new ATOM 0 HA LYS A 32 8.781 -14.050 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.146 -14.795 1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.694 -14.722 0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.623 -16.441 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.143 -16.458 3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.169 -18.399 1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.898 -17.317 1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.607 -17.093 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.590 -18.457 -0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.347 -17.173 -1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.088 -16.053 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.455 -15.912 -1.551 1.00 0.00 H new ATOM 481 N SER A 33 6.642 -12.133 1.304 1.00 0.00 N ATOM 482 CA SER A 33 6.281 -10.777 0.907 1.00 0.00 C ATOM 483 C SER A 33 5.102 -10.281 1.749 1.00 0.00 C ATOM 484 O SER A 33 4.341 -11.080 2.295 1.00 0.00 O ATOM 485 CB SER A 33 5.967 -10.741 -0.593 1.00 0.00 C ATOM 486 OG SER A 33 4.897 -11.607 -0.902 1.00 0.00 O ATOM 0 H SER A 33 6.144 -12.856 0.785 1.00 0.00 H new ATOM 0 HA SER A 33 7.120 -10.105 1.087 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.715 -9.724 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.851 -11.031 -1.161 1.00 0.00 H new ATOM 0 HG SER A 33 5.250 -12.488 -1.148 1.00 0.00 H new ATOM 492 N ILE A 34 4.957 -8.956 1.860 1.00 0.00 N ATOM 493 CA ILE A 34 3.875 -8.321 2.598 1.00 0.00 C ATOM 494 C ILE A 34 3.544 -6.960 1.984 1.00 0.00 C ATOM 495 O ILE A 34 4.436 -6.260 1.506 1.00 0.00 O ATOM 496 CB ILE A 34 4.229 -8.224 4.096 1.00 0.00 C ATOM 497 CG1 ILE A 34 3.071 -7.577 4.875 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.536 -7.452 4.325 1.00 0.00 C ATOM 499 CD1 ILE A 34 3.189 -7.767 6.391 1.00 0.00 C ATOM 0 H ILE A 34 5.600 -8.291 1.431 1.00 0.00 H new ATOM 0 HA ILE A 34 2.977 -8.934 2.523 1.00 0.00 H new ATOM 0 HB ILE A 34 4.383 -9.237 4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.039 -6.511 4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.128 -8.003 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.749 -7.406 5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.353 -7.960 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.435 -6.440 3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.343 -7.288 6.885 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.191 -8.832 6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.117 -7.316 6.743 1.00 0.00 H new ATOM 511 N ARG A 35 2.257 -6.594 2.017 1.00 0.00 N ATOM 512 CA ARG A 35 1.760 -5.270 1.684 1.00 0.00 C ATOM 513 C ARG A 35 0.766 -4.863 2.772 1.00 0.00 C ATOM 514 O ARG A 35 -0.364 -5.349 2.782 1.00 0.00 O ATOM 515 CB ARG A 35 1.099 -5.290 0.296 1.00 0.00 C ATOM 516 CG ARG A 35 0.464 -3.933 -0.048 1.00 0.00 C ATOM 517 CD ARG A 35 -0.352 -4.007 -1.340 1.00 0.00 C ATOM 518 NE ARG A 35 -1.151 -2.787 -1.510 1.00 0.00 N ATOM 519 CZ ARG A 35 -2.169 -2.642 -2.373 1.00 0.00 C ATOM 520 NH1 ARG A 35 -2.475 -3.613 -3.246 1.00 0.00 N ATOM 521 NH2 ARG A 35 -2.890 -1.513 -2.358 1.00 0.00 N ATOM 0 H ARG A 35 1.514 -7.239 2.286 1.00 0.00 H new ATOM 0 HA ARG A 35 2.573 -4.545 1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.843 -5.546 -0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.336 -6.067 0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.179 -3.613 0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.246 -3.180 -0.153 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.315 -4.134 -2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.007 -4.878 -1.315 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.914 -1.985 -0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.931 -4.476 -3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.251 -3.489 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.664 -0.772 -1.694 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.665 -1.394 -3.010 1.00 0.00 H new ATOM 535 N VAL A 36 1.176 -3.959 3.671 1.00 0.00 N ATOM 536 CA VAL A 36 0.276 -3.330 4.624 1.00 0.00 C ATOM 537 C VAL A 36 -0.271 -2.066 3.960 1.00 0.00 C ATOM 538 O VAL A 36 0.392 -1.031 3.945 1.00 0.00 O ATOM 539 CB VAL A 36 0.984 -3.057 5.961 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.019 -2.514 6.987 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.594 -4.344 6.531 1.00 0.00 C ATOM 0 H VAL A 36 2.144 -3.648 3.752 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.555 -3.988 4.877 1.00 0.00 H new ATOM 0 HB VAL A 36 1.772 -2.328 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.493 -2.324 7.931 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.453 -1.585 6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.811 -3.246 7.145 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.089 -4.124 7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.806 -5.078 6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.321 -4.745 5.825 1.00 0.00 H new ATOM 551 N SER A 37 -1.479 -2.166 3.392 1.00 0.00 N ATOM 552 CA SER A 37 -2.112 -1.094 2.643 1.00 0.00 C ATOM 553 C SER A 37 -2.938 -0.229 3.592 1.00 0.00 C ATOM 554 O SER A 37 -3.836 -0.734 4.264 1.00 0.00 O ATOM 555 CB SER A 37 -2.997 -1.694 1.546 1.00 0.00 C ATOM 556 OG SER A 37 -3.516 -0.673 0.716 1.00 0.00 O ATOM 0 H SER A 37 -2.047 -3.012 3.446 1.00 0.00 H new ATOM 0 HA SER A 37 -1.352 -0.468 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.418 -2.398 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.815 -2.256 1.997 1.00 0.00 H new ATOM 0 HG SER A 37 -2.777 -0.184 0.298 1.00 0.00 H new ATOM 562 N LEU A 38 -2.642 1.076 3.627 1.00 0.00 N ATOM 563 CA LEU A 38 -3.379 2.053 4.417 1.00 0.00 C ATOM 564 C LEU A 38 -4.765 2.281 3.811 1.00 0.00 C ATOM 565 O LEU A 38 -5.764 2.233 4.526 1.00 0.00 O ATOM 566 CB LEU A 38 -2.575 3.360 4.484 1.00 0.00 C ATOM 567 CG LEU A 38 -3.230 4.461 5.337 1.00 0.00 C ATOM 568 CD1 LEU A 38 -3.513 4.013 6.776 1.00 0.00 C ATOM 569 CD2 LEU A 38 -2.304 5.682 5.374 1.00 0.00 C ATOM 0 H LEU A 38 -1.871 1.483 3.097 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.519 1.680 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.585 3.144 4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.432 3.737 3.472 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.188 4.700 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.975 4.832 7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.188 3.157 6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.578 3.731 7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.761 6.467 5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.347 5.399 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.145 6.049 4.360 1.00 0.00 H new ATOM 581 N ALA A 39 -4.811 2.525 2.494 1.00 0.00 N ATOM 582 CA ALA A 39 -6.024 2.813 1.739 1.00 0.00 C ATOM 583 C ALA A 39 -7.087 1.727 1.923 1.00 0.00 C ATOM 584 O ALA A 39 -8.250 2.040 2.165 1.00 0.00 O ATOM 585 CB ALA A 39 -5.672 2.975 0.257 1.00 0.00 C ATOM 0 H ALA A 39 -3.974 2.526 1.912 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.450 3.741 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.577 3.191 -0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.965 3.796 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.223 2.054 -0.113 1.00 0.00 H new ATOM 591 N ASN A 40 -6.678 0.457 1.822 1.00 0.00 N ATOM 592 CA ASN A 40 -7.556 -0.694 2.003 1.00 0.00 C ATOM 593 C ASN A 40 -7.602 -1.135 3.472 1.00 0.00 C ATOM 594 O ASN A 40 -8.398 -2.007 3.816 1.00 0.00 O ATOM 595 CB ASN A 40 -7.080 -1.845 1.108 1.00 0.00 C ATOM 596 CG ASN A 40 -7.094 -1.467 -0.371 1.00 0.00 C ATOM 597 OD1 ASN A 40 -8.140 -1.515 -1.014 1.00 0.00 O ATOM 598 ND2 ASN A 40 -5.937 -1.092 -0.921 1.00 0.00 N ATOM 0 H ASN A 40 -5.714 0.201 1.609 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.568 -0.408 1.716 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.070 -2.135 1.398 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.719 -2.714 1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.901 -0.833 -1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.089 -1.064 -0.355 1.00 0.00 H new ATOM 605 N SER A 41 -6.764 -0.534 4.331 1.00 0.00 N ATOM 606 CA SER A 41 -6.704 -0.766 5.767 1.00 0.00 C ATOM 607 C SER A 41 -6.564 -2.255 6.086 1.00 0.00 C ATOM 608 O SER A 41 -7.364 -2.811 6.838 1.00 0.00 O ATOM 609 CB SER A 41 -7.910 -0.118 6.460 1.00 0.00 C ATOM 610 OG SER A 41 -8.029 1.234 6.065 1.00 0.00 O ATOM 0 H SER A 41 -6.082 0.158 4.020 1.00 0.00 H new ATOM 0 HA SER A 41 -5.808 -0.289 6.164 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.820 -0.661 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.794 -0.180 7.542 1.00 0.00 H new ATOM 0 HG SER A 41 -7.207 1.516 5.612 1.00 0.00 H new ATOM 616 N ASN A 42 -5.548 -2.901 5.501 1.00 0.00 N ATOM 617 CA ASN A 42 -5.353 -4.334 5.649 1.00 0.00 C ATOM 618 C ASN A 42 -3.902 -4.749 5.410 1.00 0.00 C ATOM 619 O ASN A 42 -3.177 -4.124 4.639 1.00 0.00 O ATOM 620 CB ASN A 42 -6.340 -5.116 4.761 1.00 0.00 C ATOM 621 CG ASN A 42 -6.224 -4.850 3.260 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.295 -4.202 2.787 1.00 0.00 O ATOM 623 ND2 ASN A 42 -7.189 -5.360 2.494 1.00 0.00 N ATOM 0 H ASN A 42 -4.848 -2.443 4.918 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.570 -4.591 6.686 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.194 -6.182 4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.355 -4.877 5.078 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.168 -5.216 1.484 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.948 -5.894 2.918 1.00 0.00 H new ATOM 630 N GLY A 43 -3.503 -5.826 6.091 1.00 0.00 N ATOM 631 CA GLY A 43 -2.254 -6.533 5.904 1.00 0.00 C ATOM 632 C GLY A 43 -2.498 -7.693 4.951 1.00 0.00 C ATOM 633 O GLY A 43 -3.131 -8.678 5.329 1.00 0.00 O ATOM 0 H GLY A 43 -4.079 -6.242 6.823 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.496 -5.863 5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.879 -6.899 6.859 1.00 0.00 H new ATOM 637 N THR A 44 -1.977 -7.577 3.728 1.00 0.00 N ATOM 638 CA THR A 44 -2.023 -8.616 2.715 1.00 0.00 C ATOM 639 C THR A 44 -0.664 -9.305 2.776 1.00 0.00 C ATOM 640 O THR A 44 0.310 -8.823 2.197 1.00 0.00 O ATOM 641 CB THR A 44 -2.321 -7.984 1.347 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.575 -7.335 1.409 1.00 0.00 O ATOM 643 CG2 THR A 44 -2.359 -9.038 0.235 1.00 0.00 C ATOM 0 H THR A 44 -1.500 -6.732 3.413 1.00 0.00 H new ATOM 0 HA THR A 44 -2.813 -9.348 2.881 1.00 0.00 H new ATOM 0 HB THR A 44 -1.526 -7.275 1.116 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.775 -6.926 0.541 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.572 -8.554 -0.718 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.394 -9.542 0.178 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.138 -9.769 0.453 1.00 0.00 H new ATOM 651 N VAL A 45 -0.608 -10.414 3.522 1.00 0.00 N ATOM 652 CA VAL A 45 0.622 -11.099 3.890 1.00 0.00 C ATOM 653 C VAL A 45 0.728 -12.419 3.131 1.00 0.00 C ATOM 654 O VAL A 45 -0.244 -13.172 3.077 1.00 0.00 O ATOM 655 CB VAL A 45 0.644 -11.365 5.410 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.054 -11.789 5.844 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.210 -10.145 6.234 1.00 0.00 C ATOM 0 H VAL A 45 -1.443 -10.867 3.893 1.00 0.00 H new ATOM 0 HA VAL A 45 1.471 -10.468 3.628 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.074 -12.163 5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.063 -11.975 6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.339 -12.698 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.762 -10.995 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.245 -10.391 7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.883 -9.312 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.807 -9.864 5.960 1.00 0.00 H new ATOM 667 N GLU A 46 1.911 -12.695 2.570 1.00 0.00 N ATOM 668 CA GLU A 46 2.279 -13.989 2.014 1.00 0.00 C ATOM 669 C GLU A 46 3.238 -14.632 3.010 1.00 0.00 C ATOM 670 O GLU A 46 4.153 -13.967 3.493 1.00 0.00 O ATOM 671 CB GLU A 46 2.921 -13.813 0.637 1.00 0.00 C ATOM 672 CG GLU A 46 3.241 -15.166 -0.010 1.00 0.00 C ATOM 673 CD GLU A 46 3.608 -14.995 -1.480 1.00 0.00 C ATOM 674 OE1 GLU A 46 4.733 -14.515 -1.733 1.00 0.00 O ATOM 675 OE2 GLU A 46 2.755 -15.346 -2.325 1.00 0.00 O ATOM 0 H GLU A 46 2.654 -12.001 2.491 1.00 0.00 H new ATOM 0 HA GLU A 46 1.407 -14.627 1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.249 -13.249 -0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.836 -13.229 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.065 -15.641 0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.380 -15.829 0.079 1.00 0.00 H new ATOM 682 N TYR A 47 3.010 -15.906 3.345 1.00 0.00 N ATOM 683 CA TYR A 47 3.704 -16.577 4.432 1.00 0.00 C ATOM 684 C TYR A 47 3.835 -18.076 4.168 1.00 0.00 C ATOM 685 O TYR A 47 3.225 -18.601 3.239 1.00 0.00 O ATOM 686 CB TYR A 47 2.948 -16.317 5.742 1.00 0.00 C ATOM 687 CG TYR A 47 1.565 -16.947 5.789 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.484 -16.316 5.146 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.392 -18.231 6.339 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.748 -16.979 5.025 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.161 -18.896 6.210 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.911 -18.267 5.557 1.00 0.00 C ATOM 693 OH TYR A 47 -2.107 -18.913 5.431 1.00 0.00 O ATOM 0 H TYR A 47 2.334 -16.498 2.863 1.00 0.00 H new ATOM 0 HA TYR A 47 4.715 -16.177 4.509 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.540 -16.700 6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.852 -15.241 5.887 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.602 -15.320 4.745 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.208 -18.707 6.862 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.572 -16.496 4.521 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.039 -19.891 6.613 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.049 -19.795 5.854 1.00 0.00 H new ATOM 703 N ASP A 48 4.622 -18.751 5.016 1.00 0.00 N ATOM 704 CA ASP A 48 4.791 -20.197 5.029 1.00 0.00 C ATOM 705 C ASP A 48 3.975 -20.792 6.188 1.00 0.00 C ATOM 706 O ASP A 48 4.346 -20.575 7.342 1.00 0.00 O ATOM 707 CB ASP A 48 6.284 -20.525 5.183 1.00 0.00 C ATOM 708 CG ASP A 48 6.591 -22.026 5.235 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.656 -22.835 5.044 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.777 -22.342 5.469 1.00 0.00 O ATOM 0 H ASP A 48 5.175 -18.282 5.734 1.00 0.00 H new ATOM 0 HA ASP A 48 4.432 -20.631 4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.831 -20.082 4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.656 -20.057 6.094 1.00 0.00 H new ATOM 715 N PRO A 49 2.896 -21.546 5.904 1.00 0.00 N ATOM 716 CA PRO A 49 2.108 -22.304 6.874 1.00 0.00 C ATOM 717 C PRO A 49 2.925 -23.045 7.935 1.00 0.00 C ATOM 718 O PRO A 49 2.530 -23.084 9.098 1.00 0.00 O ATOM 719 CB PRO A 49 1.285 -23.290 6.048 1.00 0.00 C ATOM 720 CG PRO A 49 1.035 -22.508 4.766 1.00 0.00 C ATOM 721 CD PRO A 49 2.337 -21.734 4.574 1.00 0.00 C ATOM 0 HA PRO A 49 1.501 -21.609 7.455 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.828 -24.216 5.860 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.355 -23.562 6.547 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.831 -23.169 3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.179 -21.840 4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.027 -22.285 3.936 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.152 -20.775 4.090 1.00 0.00 H new ATOM 729 N LEU A 50 4.054 -23.641 7.532 1.00 0.00 N ATOM 730 CA LEU A 50 4.908 -24.430 8.411 1.00 0.00 C ATOM 731 C LEU A 50 5.475 -23.589 9.560 1.00 0.00 C ATOM 732 O LEU A 50 5.676 -24.112 10.655 1.00 0.00 O ATOM 733 CB LEU A 50 6.056 -25.054 7.604 1.00 0.00 C ATOM 734 CG LEU A 50 5.604 -25.935 6.425 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.840 -26.380 5.634 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.830 -27.171 6.897 1.00 0.00 C ATOM 0 H LEU A 50 4.399 -23.585 6.574 1.00 0.00 H new ATOM 0 HA LEU A 50 4.295 -25.218 8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.690 -24.255 7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.670 -25.655 8.275 1.00 0.00 H new ATOM 0 HG LEU A 50 4.935 -25.345 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.530 -27.005 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.366 -25.503 5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.503 -26.949 6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.530 -27.764 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.466 -27.772 7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.943 -26.857 7.447 1.00 0.00 H new ATOM 748 N LEU A 51 5.743 -22.302 9.309 1.00 0.00 N ATOM 749 CA LEU A 51 6.429 -21.407 10.232 1.00 0.00 C ATOM 750 C LEU A 51 5.455 -20.458 10.939 1.00 0.00 C ATOM 751 O LEU A 51 5.642 -20.173 12.120 1.00 0.00 O ATOM 752 CB LEU A 51 7.499 -20.623 9.462 1.00 0.00 C ATOM 753 CG LEU A 51 8.604 -21.512 8.861 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.526 -20.658 7.983 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.448 -22.196 9.945 1.00 0.00 C ATOM 0 H LEU A 51 5.480 -21.848 8.434 1.00 0.00 H new ATOM 0 HA LEU A 51 6.902 -22.004 11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.019 -20.062 8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.955 -19.894 10.132 1.00 0.00 H new ATOM 0 HG LEU A 51 8.115 -22.287 8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.308 -21.287 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.946 -20.206 7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.980 -19.873 8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.214 -22.812 9.475 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.924 -21.438 10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.807 -22.824 10.563 1.00 0.00 H new ATOM 767 N THR A 52 4.429 -19.962 10.234 1.00 0.00 N ATOM 768 CA THR A 52 3.436 -19.046 10.788 1.00 0.00 C ATOM 769 C THR A 52 2.073 -19.290 10.135 1.00 0.00 C ATOM 770 O THR A 52 1.966 -20.092 9.210 1.00 0.00 O ATOM 771 CB THR A 52 3.926 -17.595 10.641 1.00 0.00 C ATOM 772 OG1 THR A 52 3.134 -16.725 11.424 1.00 0.00 O ATOM 773 CG2 THR A 52 3.903 -17.118 9.187 1.00 0.00 C ATOM 0 H THR A 52 4.268 -20.191 9.253 1.00 0.00 H new ATOM 0 HA THR A 52 3.308 -19.231 11.855 1.00 0.00 H new ATOM 0 HB THR A 52 4.959 -17.577 10.988 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.459 -15.806 11.322 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.258 -16.089 9.136 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.551 -17.755 8.585 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.884 -17.170 8.803 1.00 0.00 H new ATOM 781 N SER A 53 1.031 -18.609 10.623 1.00 0.00 N ATOM 782 CA SER A 53 -0.349 -18.807 10.194 1.00 0.00 C ATOM 783 C SER A 53 -1.136 -17.495 10.332 1.00 0.00 C ATOM 784 O SER A 53 -0.682 -16.599 11.040 1.00 0.00 O ATOM 785 CB SER A 53 -0.966 -19.930 11.036 1.00 0.00 C ATOM 786 OG SER A 53 -1.003 -19.559 12.399 1.00 0.00 O ATOM 0 H SER A 53 1.130 -17.892 11.341 1.00 0.00 H new ATOM 0 HA SER A 53 -0.384 -19.097 9.144 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.975 -20.146 10.684 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.385 -20.844 10.917 1.00 0.00 H new ATOM 0 HG SER A 53 -1.401 -20.284 12.925 1.00 0.00 H new ATOM 792 N PRO A 54 -2.307 -17.357 9.680 1.00 0.00 N ATOM 793 CA PRO A 54 -3.122 -16.147 9.728 1.00 0.00 C ATOM 794 C PRO A 54 -3.427 -15.683 11.152 1.00 0.00 C ATOM 795 O PRO A 54 -3.337 -14.493 11.441 1.00 0.00 O ATOM 796 CB PRO A 54 -4.404 -16.471 8.956 1.00 0.00 C ATOM 797 CG PRO A 54 -3.937 -17.536 7.968 1.00 0.00 C ATOM 798 CD PRO A 54 -2.936 -18.332 8.800 1.00 0.00 C ATOM 0 HA PRO A 54 -2.581 -15.313 9.281 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.190 -16.844 9.613 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.804 -15.594 8.448 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.762 -18.157 7.619 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.474 -17.097 7.085 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.434 -19.115 9.372 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.198 -18.822 8.165 1.00 0.00 H new ATOM 806 N GLU A 55 -3.779 -16.622 12.039 1.00 0.00 N ATOM 807 CA GLU A 55 -4.065 -16.340 13.439 1.00 0.00 C ATOM 808 C GLU A 55 -2.832 -15.819 14.186 1.00 0.00 C ATOM 809 O GLU A 55 -2.963 -14.945 15.041 1.00 0.00 O ATOM 810 CB GLU A 55 -4.682 -17.571 14.117 1.00 0.00 C ATOM 811 CG GLU A 55 -3.777 -18.810 14.104 1.00 0.00 C ATOM 812 CD GLU A 55 -4.481 -19.999 14.750 1.00 0.00 C ATOM 813 OE1 GLU A 55 -4.444 -20.074 15.997 1.00 0.00 O ATOM 814 OE2 GLU A 55 -5.044 -20.811 13.984 1.00 0.00 O ATOM 0 H GLU A 55 -3.872 -17.608 11.796 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.799 -15.536 13.478 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.924 -17.321 15.150 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.621 -17.814 13.620 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.504 -19.056 13.078 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.851 -18.596 14.637 1.00 0.00 H new ATOM 821 N THR A 56 -1.639 -16.337 13.868 1.00 0.00 N ATOM 822 CA THR A 56 -0.391 -15.896 14.483 1.00 0.00 C ATOM 823 C THR A 56 -0.067 -14.470 14.037 1.00 0.00 C ATOM 824 O THR A 56 0.275 -13.627 14.862 1.00 0.00 O ATOM 825 CB THR A 56 0.748 -16.865 14.129 1.00 0.00 C ATOM 826 OG1 THR A 56 0.385 -18.187 14.466 1.00 0.00 O ATOM 827 CG2 THR A 56 2.037 -16.513 14.877 1.00 0.00 C ATOM 0 H THR A 56 -1.517 -17.075 13.175 1.00 0.00 H new ATOM 0 HA THR A 56 -0.504 -15.896 15.567 1.00 0.00 H new ATOM 0 HB THR A 56 0.923 -16.780 13.057 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.089 -18.598 13.713 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.821 -17.219 14.603 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.348 -15.503 14.610 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.860 -16.566 15.951 1.00 0.00 H new ATOM 835 N LEU A 57 -0.182 -14.205 12.730 1.00 0.00 N ATOM 836 CA LEU A 57 0.056 -12.897 12.137 1.00 0.00 C ATOM 837 C LEU A 57 -0.917 -11.866 12.716 1.00 0.00 C ATOM 838 O LEU A 57 -0.502 -10.782 13.117 1.00 0.00 O ATOM 839 CB LEU A 57 -0.068 -12.998 10.610 1.00 0.00 C ATOM 840 CG LEU A 57 1.000 -13.910 9.978 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.598 -14.250 8.538 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.385 -13.256 9.983 1.00 0.00 C ATOM 0 H LEU A 57 -0.449 -14.913 12.047 1.00 0.00 H new ATOM 0 HA LEU A 57 1.065 -12.563 12.377 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.058 -13.377 10.356 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.012 -12.001 10.178 1.00 0.00 H new ATOM 0 HG LEU A 57 1.059 -14.819 10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.355 -14.895 8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.363 -14.765 8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.516 -13.332 7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.109 -13.933 9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.351 -12.327 9.415 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.683 -13.043 11.010 1.00 0.00 H new ATOM 854 N ARG A 58 -2.206 -12.217 12.783 1.00 0.00 N ATOM 855 CA ARG A 58 -3.236 -11.427 13.445 1.00 0.00 C ATOM 856 C ARG A 58 -2.835 -11.139 14.894 1.00 0.00 C ATOM 857 O ARG A 58 -2.966 -10.006 15.349 1.00 0.00 O ATOM 858 CB ARG A 58 -4.570 -12.179 13.361 1.00 0.00 C ATOM 859 CG ARG A 58 -5.703 -11.441 14.084 1.00 0.00 C ATOM 860 CD ARG A 58 -7.055 -12.106 13.811 1.00 0.00 C ATOM 861 NE ARG A 58 -7.032 -13.550 14.082 1.00 0.00 N ATOM 862 CZ ARG A 58 -7.053 -14.114 15.301 1.00 0.00 C ATOM 863 NH1 ARG A 58 -7.096 -13.363 16.410 1.00 0.00 N ATOM 864 NH2 ARG A 58 -7.032 -15.449 15.408 1.00 0.00 N ATOM 0 H ARG A 58 -2.564 -13.077 12.368 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.349 -10.464 12.946 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.840 -12.318 12.314 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.452 -13.172 13.794 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.509 -11.431 15.157 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.732 -10.402 13.756 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.820 -11.635 14.428 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.336 -11.938 12.771 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.997 -14.176 13.278 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.113 -12.346 16.337 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.111 -13.809 17.327 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.000 -16.027 14.569 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.048 -15.887 16.329 1.00 0.00 H new ATOM 878 N GLY A 59 -2.337 -12.157 15.605 1.00 0.00 N ATOM 879 CA GLY A 59 -1.824 -12.035 16.960 1.00 0.00 C ATOM 880 C GLY A 59 -0.697 -11.006 17.062 1.00 0.00 C ATOM 881 O GLY A 59 -0.690 -10.198 17.986 1.00 0.00 O ATOM 0 H GLY A 59 -2.281 -13.107 15.239 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.636 -11.750 17.629 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.459 -13.005 17.297 1.00 0.00 H new ATOM 885 N ALA A 60 0.253 -11.030 16.118 1.00 0.00 N ATOM 886 CA ALA A 60 1.376 -10.102 16.082 1.00 0.00 C ATOM 887 C ALA A 60 0.898 -8.661 15.894 1.00 0.00 C ATOM 888 O ALA A 60 1.308 -7.771 16.635 1.00 0.00 O ATOM 889 CB ALA A 60 2.351 -10.506 14.973 1.00 0.00 C ATOM 0 H ALA A 60 0.258 -11.704 15.352 1.00 0.00 H new ATOM 0 HA ALA A 60 1.895 -10.150 17.039 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.188 -9.808 14.952 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.723 -11.513 15.164 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.837 -10.486 14.012 1.00 0.00 H new ATOM 895 N ILE A 61 0.025 -8.432 14.907 1.00 0.00 N ATOM 896 CA ILE A 61 -0.554 -7.123 14.619 1.00 0.00 C ATOM 897 C ILE A 61 -1.371 -6.633 15.823 1.00 0.00 C ATOM 898 O ILE A 61 -1.330 -5.451 16.161 1.00 0.00 O ATOM 899 CB ILE A 61 -1.401 -7.219 13.335 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.557 -7.655 12.119 1.00 0.00 C ATOM 901 CG2 ILE A 61 -2.042 -5.861 13.026 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.416 -8.285 11.019 1.00 0.00 C ATOM 0 H ILE A 61 -0.302 -9.165 14.278 1.00 0.00 H new ATOM 0 HA ILE A 61 0.233 -6.388 14.449 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.169 -7.972 13.512 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.029 -6.791 11.716 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.200 -8.370 12.441 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.639 -5.939 12.117 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.683 -5.564 13.856 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.261 -5.114 12.885 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.780 -8.577 10.183 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.924 -9.165 11.413 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.156 -7.562 10.677 1.00 0.00 H new ATOM 914 N GLU A 62 -2.103 -7.542 16.478 1.00 0.00 N ATOM 915 CA GLU A 62 -2.870 -7.245 17.678 1.00 0.00 C ATOM 916 C GLU A 62 -1.931 -6.778 18.793 1.00 0.00 C ATOM 917 O GLU A 62 -2.184 -5.752 19.419 1.00 0.00 O ATOM 918 CB GLU A 62 -3.708 -8.472 18.071 1.00 0.00 C ATOM 919 CG GLU A 62 -4.883 -8.129 18.998 1.00 0.00 C ATOM 920 CD GLU A 62 -4.442 -7.640 20.376 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.673 -8.382 21.025 1.00 0.00 O ATOM 922 OE2 GLU A 62 -4.882 -6.532 20.754 1.00 0.00 O ATOM 0 H GLU A 62 -2.175 -8.515 16.180 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.567 -6.428 17.491 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.092 -8.946 17.168 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.065 -9.201 18.564 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.496 -7.361 18.527 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.512 -9.011 19.117 1.00 0.00 H new ATOM 929 N ASP A 63 -0.841 -7.521 19.025 1.00 0.00 N ATOM 930 CA ASP A 63 0.179 -7.205 20.016 1.00 0.00 C ATOM 931 C ASP A 63 0.820 -5.840 19.744 1.00 0.00 C ATOM 932 O ASP A 63 1.053 -5.079 20.681 1.00 0.00 O ATOM 933 CB ASP A 63 1.227 -8.324 20.049 1.00 0.00 C ATOM 934 CG ASP A 63 2.306 -8.055 21.094 1.00 0.00 C ATOM 935 OD1 ASP A 63 2.023 -8.317 22.283 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.393 -7.591 20.685 1.00 0.00 O ATOM 0 H ASP A 63 -0.645 -8.380 18.511 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.292 -7.140 20.997 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.739 -9.274 20.266 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.688 -8.420 19.066 1.00 0.00 H new ATOM 941 N MET A 64 1.086 -5.522 18.469 1.00 0.00 N ATOM 942 CA MET A 64 1.568 -4.210 18.047 1.00 0.00 C ATOM 943 C MET A 64 0.571 -3.089 18.386 1.00 0.00 C ATOM 944 O MET A 64 0.971 -1.928 18.453 1.00 0.00 O ATOM 945 CB MET A 64 1.905 -4.228 16.548 1.00 0.00 C ATOM 946 CG MET A 64 3.200 -4.990 16.242 1.00 0.00 C ATOM 947 SD MET A 64 4.731 -4.217 16.836 1.00 0.00 S ATOM 948 CE MET A 64 4.810 -2.756 15.765 1.00 0.00 C ATOM 0 H MET A 64 0.970 -6.179 17.698 1.00 0.00 H new ATOM 0 HA MET A 64 2.478 -3.992 18.606 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.081 -4.685 16.000 1.00 0.00 H new ATOM 0 HB3 MET A 64 1.997 -3.203 16.188 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.125 -5.986 16.679 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.276 -5.120 15.162 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.786 -2.282 15.867 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.659 -3.056 14.728 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.032 -2.050 16.055 1.00 0.00 H new ATOM 958 N GLY A 65 -0.705 -3.426 18.620 1.00 0.00 N ATOM 959 CA GLY A 65 -1.709 -2.521 19.159 1.00 0.00 C ATOM 960 C GLY A 65 -2.639 -1.999 18.071 1.00 0.00 C ATOM 961 O GLY A 65 -2.804 -0.787 17.937 1.00 0.00 O ATOM 0 H GLY A 65 -1.068 -4.360 18.432 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.293 -3.038 19.920 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.216 -1.682 19.650 1.00 0.00 H new ATOM 965 N PHE A 66 -3.244 -2.914 17.302 1.00 0.00 N ATOM 966 CA PHE A 66 -4.178 -2.586 16.231 1.00 0.00 C ATOM 967 C PHE A 66 -5.335 -3.583 16.214 1.00 0.00 C ATOM 968 O PHE A 66 -5.199 -4.708 16.693 1.00 0.00 O ATOM 969 CB PHE A 66 -3.437 -2.567 14.891 1.00 0.00 C ATOM 970 CG PHE A 66 -2.305 -1.564 14.843 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.609 -0.197 14.708 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.985 -1.964 15.133 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.603 0.769 14.865 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.019 -0.993 15.300 1.00 0.00 C ATOM 975 CZ PHE A 66 -0.289 0.372 15.168 1.00 0.00 C ATOM 0 H PHE A 66 -3.092 -3.917 17.413 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.598 -1.595 16.405 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.039 -3.562 14.690 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.147 -2.341 14.095 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.620 0.110 14.483 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.745 -3.013 15.227 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.838 1.817 14.753 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.029 -1.297 15.530 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.483 1.115 15.299 1.00 0.00 H new ATOM 985 N ASP A 67 -6.478 -3.166 15.658 1.00 0.00 N ATOM 986 CA ASP A 67 -7.680 -3.985 15.590 1.00 0.00 C ATOM 987 C ASP A 67 -7.574 -4.916 14.383 1.00 0.00 C ATOM 988 O ASP A 67 -8.040 -4.581 13.295 1.00 0.00 O ATOM 989 CB ASP A 67 -8.913 -3.079 15.510 1.00 0.00 C ATOM 990 CG ASP A 67 -9.030 -2.166 16.726 1.00 0.00 C ATOM 991 OD1 ASP A 67 -9.530 -2.658 17.762 1.00 0.00 O ATOM 992 OD2 ASP A 67 -8.615 -0.993 16.600 1.00 0.00 O ATOM 0 H ASP A 67 -6.589 -2.242 15.241 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.781 -4.598 16.486 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.860 -2.473 14.605 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.810 -3.693 15.430 1.00 0.00 H new ATOM 997 N ALA A 68 -6.952 -6.083 14.592 1.00 0.00 N ATOM 998 CA ALA A 68 -6.627 -7.045 13.549 1.00 0.00 C ATOM 999 C ALA A 68 -7.669 -8.161 13.527 1.00 0.00 C ATOM 1000 O ALA A 68 -7.911 -8.802 14.549 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.234 -7.615 13.821 1.00 0.00 C ATOM 0 H ALA A 68 -6.656 -6.386 15.520 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.633 -6.555 12.575 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.979 -8.338 13.046 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.503 -6.806 13.818 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.226 -8.108 14.793 1.00 0.00 H new ATOM 1007 N THR A 69 -8.285 -8.383 12.360 1.00 0.00 N ATOM 1008 CA THR A 69 -9.331 -9.376 12.150 1.00 0.00 C ATOM 1009 C THR A 69 -9.109 -10.046 10.793 1.00 0.00 C ATOM 1010 O THR A 69 -8.753 -9.372 9.831 1.00 0.00 O ATOM 1011 CB THR A 69 -10.711 -8.701 12.202 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.791 -7.655 11.253 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.023 -8.137 13.593 1.00 0.00 C ATOM 0 H THR A 69 -8.059 -7.859 11.515 1.00 0.00 H new ATOM 0 HA THR A 69 -9.292 -10.131 12.935 1.00 0.00 H new ATOM 0 HB THR A 69 -11.446 -9.471 11.968 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.677 -7.238 11.300 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.008 -7.669 13.584 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.012 -8.945 14.324 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.271 -7.395 13.862 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.318 -11.365 10.702 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.194 -12.086 9.440 1.00 0.00 C ATOM 1023 C LEU A 70 -10.314 -11.640 8.497 1.00 0.00 C ATOM 1024 O LEU A 70 -11.464 -11.535 8.923 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.266 -13.603 9.667 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.268 -14.145 10.706 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -8.389 -15.671 10.779 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.819 -13.770 10.376 1.00 0.00 C ATOM 0 H LEU A 70 -9.575 -11.953 11.495 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.225 -11.859 8.995 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.276 -13.862 9.984 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.091 -14.108 8.717 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.516 -13.691 11.665 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.683 -16.057 11.514 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.403 -15.942 11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.167 -16.101 9.802 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.155 -14.176 11.139 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.549 -14.182 9.404 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.721 -12.685 10.350 1.00 0.00 H new