USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0278 (180deg=-0.349) USER MOD Single : A 12 THR OG1 : rot -65:sc= -1.78! USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 14 ASN : amide:sc= -2.6! C(o=-2.6!,f=-3.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -5.58! C(o=-5.6!,f=-4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.515 X(o=-0.51,f=-0.59) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -127:sc= 0.738 USER MOD Single : A 35 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.16) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -87:sc= -18! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -129:sc= 0.00156 (180deg=-0.0129) USER MOD Single : A 44 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.64) USER MOD Single : A 45 THR OG1 : rot -174:sc= 0.406 USER MOD Single : A 47 TYR OH : rot -178:sc= 0.614 USER MOD Single : A 49 ASN : amide:sc= -0.405 K(o=-0.41,f=-2.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot -28:sc= -2.25! USER MOD Single : A 58 TYR OH : rot 30:sc= -0.586 USER MOD Single : A 59 GLN : amide:sc= -0.418 K(o=-0.42,f=-5.3!) USER MOD Single : A 61 TYR OH : rot 117:sc= 0.95 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -120:sc= -0.133 USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= -9.7! (180deg=-10.3!) USER MOD Single : A 74 SER OG : rot 170:sc= -0.0238 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -152:sc= -0.0255 (180deg=-0.964!) USER MOD Single : A 79 THR OG1 : rot 130:sc= 0.156 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.18 K(o=-0.18,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.298 6.908 -8.840 1.00 0.00 N ATOM 2 CA GLY A 1 -10.910 6.951 -7.402 1.00 0.00 C ATOM 3 C GLY A 1 -9.898 8.077 -7.179 1.00 0.00 C ATOM 4 O GLY A 1 -9.706 8.928 -8.024 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.331 6.993 -8.924 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.844 7.695 -9.346 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.990 6.006 -9.256 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.791 7.112 -6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.479 5.996 -7.102 1.00 0.00 H new ATOM 10 N GLU A 2 -9.252 8.088 -6.045 1.00 0.00 N ATOM 11 CA GLU A 2 -8.253 9.161 -5.766 1.00 0.00 C ATOM 12 C GLU A 2 -6.894 8.542 -5.433 1.00 0.00 C ATOM 13 O GLU A 2 -6.795 7.377 -5.106 1.00 0.00 O ATOM 14 CB GLU A 2 -8.809 9.915 -4.559 1.00 0.00 C ATOM 15 CG GLU A 2 -8.895 8.967 -3.362 1.00 0.00 C ATOM 16 CD GLU A 2 -7.770 9.284 -2.376 1.00 0.00 C ATOM 17 OE1 GLU A 2 -7.783 10.371 -1.822 1.00 0.00 O ATOM 18 OE2 GLU A 2 -6.914 8.434 -2.190 1.00 0.00 O ATOM 0 H GLU A 2 -9.372 7.402 -5.300 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.102 9.818 -6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.168 10.763 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.796 10.317 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.863 9.071 -2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.818 7.933 -3.698 1.00 0.00 H new ATOM 25 N TRP A 3 -5.843 9.312 -5.514 1.00 0.00 N ATOM 26 CA TRP A 3 -4.493 8.765 -5.201 1.00 0.00 C ATOM 27 C TRP A 3 -3.910 9.465 -3.970 1.00 0.00 C ATOM 28 O TRP A 3 -4.511 10.358 -3.409 1.00 0.00 O ATOM 29 CB TRP A 3 -3.647 9.062 -6.439 1.00 0.00 C ATOM 30 CG TRP A 3 -3.665 10.532 -6.711 1.00 0.00 C ATOM 31 CD1 TRP A 3 -3.090 11.473 -5.929 1.00 0.00 C ATOM 32 CD2 TRP A 3 -4.277 11.244 -7.826 1.00 0.00 C ATOM 33 NE1 TRP A 3 -3.309 12.718 -6.492 1.00 0.00 N ATOM 34 CE2 TRP A 3 -4.037 12.629 -7.661 1.00 0.00 C ATOM 35 CE3 TRP A 3 -5.011 10.827 -8.951 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -4.507 13.567 -8.582 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -5.486 11.769 -9.879 1.00 0.00 C ATOM 38 CH2 TRP A 3 -5.234 13.135 -9.695 1.00 0.00 C ATOM 0 H TRP A 3 -5.861 10.296 -5.783 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.522 7.699 -4.975 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.623 8.722 -6.284 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.037 8.517 -7.299 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.548 11.284 -5.014 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -2.973 13.594 -6.092 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -5.211 9.776 -9.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -4.310 14.619 -8.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.049 11.438 -10.739 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -5.601 13.854 -10.413 1.00 0.00 H new ATOM 49 N GLU A 4 -2.742 9.062 -3.542 1.00 0.00 N ATOM 50 CA GLU A 4 -2.128 9.704 -2.343 1.00 0.00 C ATOM 51 C GLU A 4 -0.820 8.991 -1.971 1.00 0.00 C ATOM 52 O GLU A 4 -0.800 7.805 -1.717 1.00 0.00 O ATOM 53 CB GLU A 4 -3.183 9.543 -1.241 1.00 0.00 C ATOM 54 CG GLU A 4 -2.519 9.578 0.138 1.00 0.00 C ATOM 55 CD GLU A 4 -3.310 10.506 1.062 1.00 0.00 C ATOM 56 OE1 GLU A 4 -3.277 11.704 0.834 1.00 0.00 O ATOM 57 OE2 GLU A 4 -3.934 10.003 1.981 1.00 0.00 O ATOM 0 H GLU A 4 -2.189 8.319 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.869 10.750 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.923 10.340 -1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.715 8.601 -1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.480 8.574 0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.490 9.927 0.049 1.00 0.00 H new ATOM 64 N ILE A 5 0.274 9.707 -1.938 1.00 0.00 N ATOM 65 CA ILE A 5 1.575 9.080 -1.589 1.00 0.00 C ATOM 66 C ILE A 5 1.759 9.036 -0.066 1.00 0.00 C ATOM 67 O ILE A 5 0.998 9.623 0.677 1.00 0.00 O ATOM 68 CB ILE A 5 2.611 9.997 -2.230 1.00 0.00 C ATOM 69 CG1 ILE A 5 2.711 11.297 -1.427 1.00 0.00 C ATOM 70 CG2 ILE A 5 2.197 10.318 -3.667 1.00 0.00 C ATOM 71 CD1 ILE A 5 3.871 12.139 -1.961 1.00 0.00 C ATOM 0 H ILE A 5 0.318 10.706 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 5 1.654 8.050 -1.938 1.00 0.00 H new ATOM 0 HB ILE A 5 3.579 9.496 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.778 11.856 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.866 11.074 -0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.940 10.973 -4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.129 9.394 -4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.227 10.816 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.942 13.064 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.802 11.580 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.697 12.374 -3.011 1.00 0.00 H new ATOM 83 N ILE A 6 2.762 8.340 0.402 1.00 0.00 N ATOM 84 CA ILE A 6 2.985 8.259 1.886 1.00 0.00 C ATOM 85 C ILE A 6 3.891 9.405 2.357 1.00 0.00 C ATOM 86 O ILE A 6 4.129 10.355 1.639 1.00 0.00 O ATOM 87 CB ILE A 6 3.629 6.873 2.158 1.00 0.00 C ATOM 88 CG1 ILE A 6 5.164 6.968 2.284 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.282 5.892 1.034 1.00 0.00 C ATOM 90 CD1 ILE A 6 5.760 7.764 1.115 1.00 0.00 C ATOM 0 H ILE A 6 3.434 7.827 -0.169 1.00 0.00 H new ATOM 0 HA ILE A 6 2.050 8.360 2.437 1.00 0.00 H new ATOM 0 HB ILE A 6 3.225 6.514 3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.427 7.447 3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.594 5.967 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.741 4.925 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.200 5.774 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.658 6.277 0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.843 7.817 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.515 7.269 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.345 8.772 1.112 1.00 0.00 H new ATOM 102 N ASP A 7 4.404 9.319 3.558 1.00 0.00 N ATOM 103 CA ASP A 7 5.296 10.400 4.065 1.00 0.00 C ATOM 104 C ASP A 7 6.508 9.806 4.793 1.00 0.00 C ATOM 105 O ASP A 7 6.827 10.195 5.898 1.00 0.00 O ATOM 106 CB ASP A 7 4.432 11.210 5.032 1.00 0.00 C ATOM 107 CG ASP A 7 3.187 11.719 4.301 1.00 0.00 C ATOM 108 OD1 ASP A 7 2.286 10.925 4.084 1.00 0.00 O ATOM 109 OD2 ASP A 7 3.157 12.893 3.971 1.00 0.00 O ATOM 0 H ASP A 7 4.243 8.548 4.206 1.00 0.00 H new ATOM 0 HA ASP A 7 5.690 11.015 3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.141 10.592 5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.002 12.050 5.430 1.00 0.00 H new ATOM 114 N ILE A 8 7.175 8.864 4.177 1.00 0.00 N ATOM 115 CA ILE A 8 8.369 8.227 4.811 1.00 0.00 C ATOM 116 C ILE A 8 8.106 8.017 6.295 1.00 0.00 C ATOM 117 O ILE A 8 8.925 8.315 7.142 1.00 0.00 O ATOM 118 CB ILE A 8 9.529 9.201 4.588 1.00 0.00 C ATOM 119 CG1 ILE A 8 10.830 8.550 5.064 1.00 0.00 C ATOM 120 CG2 ILE A 8 9.289 10.490 5.375 1.00 0.00 C ATOM 121 CD1 ILE A 8 11.993 9.041 4.200 1.00 0.00 C ATOM 0 H ILE A 8 6.941 8.505 3.251 1.00 0.00 H new ATOM 0 HA ILE A 8 8.595 7.250 4.383 1.00 0.00 H new ATOM 0 HB ILE A 8 9.600 9.440 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.011 8.797 6.110 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.750 7.465 5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.119 11.177 5.210 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.362 10.954 5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.215 10.259 6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.919 8.577 4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.812 8.772 3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 8 12.077 10.124 4.285 1.00 0.00 H new ATOM 133 N GLY A 9 6.956 7.507 6.606 1.00 0.00 N ATOM 134 CA GLY A 9 6.606 7.273 8.038 1.00 0.00 C ATOM 135 C GLY A 9 5.539 6.177 8.181 1.00 0.00 C ATOM 136 O GLY A 9 5.779 5.161 8.804 1.00 0.00 O ATOM 0 H GLY A 9 6.237 7.239 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.501 6.987 8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.240 8.199 8.481 1.00 0.00 H new ATOM 140 N PRO A 10 4.383 6.427 7.625 1.00 0.00 N ATOM 141 CA PRO A 10 3.268 5.452 7.731 1.00 0.00 C ATOM 142 C PRO A 10 3.513 4.220 6.854 1.00 0.00 C ATOM 143 O PRO A 10 3.996 3.208 7.321 1.00 0.00 O ATOM 144 CB PRO A 10 2.055 6.242 7.248 1.00 0.00 C ATOM 145 CG PRO A 10 2.609 7.318 6.371 1.00 0.00 C ATOM 146 CD PRO A 10 4.007 7.615 6.852 1.00 0.00 C ATOM 0 HA PRO A 10 3.146 5.063 8.742 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.363 5.604 6.698 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.501 6.664 8.087 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.621 6.996 5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.988 8.212 6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.689 7.779 6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.034 8.515 7.467 1.00 0.00 H new ATOM 154 N PHE A 11 3.171 4.289 5.596 1.00 0.00 N ATOM 155 CA PHE A 11 3.372 3.107 4.706 1.00 0.00 C ATOM 156 C PHE A 11 4.719 2.441 4.993 1.00 0.00 C ATOM 157 O PHE A 11 4.870 1.249 4.840 1.00 0.00 O ATOM 158 CB PHE A 11 3.319 3.657 3.287 1.00 0.00 C ATOM 159 CG PHE A 11 1.900 3.558 2.781 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.316 2.302 2.584 1.00 0.00 C ATOM 161 CD2 PHE A 11 1.163 4.721 2.518 1.00 0.00 C ATOM 162 CE1 PHE A 11 -0.002 2.206 2.123 1.00 0.00 C ATOM 163 CE2 PHE A 11 -0.154 4.625 2.058 1.00 0.00 C ATOM 164 CZ PHE A 11 -0.738 3.367 1.861 1.00 0.00 C ATOM 0 H PHE A 11 2.763 5.108 5.146 1.00 0.00 H new ATOM 0 HA PHE A 11 2.613 2.341 4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.654 4.694 3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.991 3.095 2.639 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.883 1.406 2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.612 5.691 2.671 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.451 1.236 1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.721 5.521 1.854 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.756 3.293 1.507 1.00 0.00 H new ATOM 174 N THR A 12 5.691 3.186 5.436 1.00 0.00 N ATOM 175 CA THR A 12 6.996 2.567 5.760 1.00 0.00 C ATOM 176 C THR A 12 6.741 1.450 6.759 1.00 0.00 C ATOM 177 O THR A 12 7.041 0.293 6.528 1.00 0.00 O ATOM 178 CB THR A 12 7.821 3.685 6.406 1.00 0.00 C ATOM 179 OG1 THR A 12 7.388 3.877 7.745 1.00 0.00 O ATOM 180 CG2 THR A 12 7.663 4.996 5.626 1.00 0.00 C ATOM 0 H THR A 12 5.635 4.193 5.586 1.00 0.00 H new ATOM 0 HA THR A 12 7.511 2.151 4.894 1.00 0.00 H new ATOM 0 HB THR A 12 8.872 3.396 6.392 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.462 4.198 7.747 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.257 5.776 6.102 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.006 4.853 4.601 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.614 5.292 5.620 1.00 0.00 H new ATOM 188 N GLN A 13 6.159 1.802 7.864 1.00 0.00 N ATOM 189 CA GLN A 13 5.839 0.780 8.898 1.00 0.00 C ATOM 190 C GLN A 13 4.744 -0.149 8.372 1.00 0.00 C ATOM 191 O GLN A 13 4.541 -1.240 8.866 1.00 0.00 O ATOM 192 CB GLN A 13 5.343 1.573 10.108 1.00 0.00 C ATOM 193 CG GLN A 13 6.473 1.697 11.133 1.00 0.00 C ATOM 194 CD GLN A 13 5.983 2.502 12.339 1.00 0.00 C ATOM 195 OE1 GLN A 13 4.805 2.518 12.634 1.00 0.00 O ATOM 196 NE2 GLN A 13 6.844 3.174 13.052 1.00 0.00 N ATOM 0 H GLN A 13 5.889 2.757 8.100 1.00 0.00 H new ATOM 0 HA GLN A 13 6.697 0.159 9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.010 2.563 9.796 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.484 1.074 10.556 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.799 0.707 11.452 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.336 2.187 10.681 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.833 3.160 12.804 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.528 3.713 13.858 1.00 0.00 H new ATOM 205 N ASN A 14 4.052 0.280 7.356 1.00 0.00 N ATOM 206 CA ASN A 14 2.976 -0.566 6.765 1.00 0.00 C ATOM 207 C ASN A 14 3.599 -1.596 5.832 1.00 0.00 C ATOM 208 O ASN A 14 3.438 -2.789 6.003 1.00 0.00 O ATOM 209 CB ASN A 14 2.086 0.403 5.986 1.00 0.00 C ATOM 210 CG ASN A 14 0.623 -0.028 6.116 1.00 0.00 C ATOM 211 OD1 ASN A 14 0.339 -1.130 6.542 1.00 0.00 O ATOM 212 ND2 ASN A 14 -0.321 0.801 5.766 1.00 0.00 N ATOM 0 H ASN A 14 4.185 1.185 6.906 1.00 0.00 H new ATOM 0 HA ASN A 14 2.407 -1.111 7.518 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.213 1.416 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.379 0.419 4.936 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.299 0.525 5.850 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.081 1.726 5.409 1.00 0.00 H new ATOM 219 N LEU A 15 4.322 -1.129 4.863 1.00 0.00 N ATOM 220 CA LEU A 15 5.001 -2.044 3.904 1.00 0.00 C ATOM 221 C LEU A 15 5.543 -3.256 4.663 1.00 0.00 C ATOM 222 O LEU A 15 5.364 -4.386 4.261 1.00 0.00 O ATOM 223 CB LEU A 15 6.137 -1.196 3.315 1.00 0.00 C ATOM 224 CG LEU A 15 7.280 -2.091 2.829 1.00 0.00 C ATOM 225 CD1 LEU A 15 8.128 -1.325 1.813 1.00 0.00 C ATOM 226 CD2 LEU A 15 8.159 -2.487 4.018 1.00 0.00 C ATOM 0 H LEU A 15 4.477 -0.136 4.688 1.00 0.00 H new ATOM 0 HA LEU A 15 4.343 -2.429 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.759 -0.597 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.507 -0.501 4.068 1.00 0.00 H new ATOM 0 HG LEU A 15 6.866 -2.986 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.942 -1.961 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.507 -1.036 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.540 -0.432 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.973 -3.124 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.571 -1.590 4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.559 -3.029 4.749 1.00 0.00 H new ATOM 238 N GLY A 16 6.194 -3.024 5.770 1.00 0.00 N ATOM 239 CA GLY A 16 6.732 -4.163 6.564 1.00 0.00 C ATOM 240 C GLY A 16 5.562 -4.993 7.096 1.00 0.00 C ATOM 241 O GLY A 16 5.600 -6.208 7.105 1.00 0.00 O ATOM 0 H GLY A 16 6.376 -2.098 6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.381 -4.781 5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.338 -3.793 7.391 1.00 0.00 H new ATOM 245 N LYS A 17 4.517 -4.341 7.533 1.00 0.00 N ATOM 246 CA LYS A 17 3.336 -5.082 8.062 1.00 0.00 C ATOM 247 C LYS A 17 2.507 -5.645 6.911 1.00 0.00 C ATOM 248 O LYS A 17 2.445 -6.838 6.693 1.00 0.00 O ATOM 249 CB LYS A 17 2.532 -4.040 8.841 1.00 0.00 C ATOM 250 CG LYS A 17 2.547 -4.392 10.330 1.00 0.00 C ATOM 251 CD LYS A 17 3.485 -3.437 11.071 1.00 0.00 C ATOM 252 CE LYS A 17 4.226 -4.201 12.171 1.00 0.00 C ATOM 253 NZ LYS A 17 5.394 -4.823 11.487 1.00 0.00 N ATOM 0 H LYS A 17 4.431 -3.325 7.546 1.00 0.00 H new ATOM 0 HA LYS A 17 3.625 -5.926 8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.956 -3.048 8.687 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.506 -4.008 8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.540 -4.322 10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.876 -5.422 10.468 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.199 -2.998 10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.916 -2.615 11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.546 -3.532 12.969 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.586 -4.957 12.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.952 -5.365 12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.058 -5.460 10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.988 -4.079 11.069 1.00 0.00 H new ATOM 267 N PHE A 18 1.870 -4.785 6.180 1.00 0.00 N ATOM 268 CA PHE A 18 1.033 -5.242 5.031 1.00 0.00 C ATOM 269 C PHE A 18 1.739 -6.362 4.278 1.00 0.00 C ATOM 270 O PHE A 18 1.162 -7.385 3.968 1.00 0.00 O ATOM 271 CB PHE A 18 0.876 -4.010 4.139 1.00 0.00 C ATOM 272 CG PHE A 18 -0.442 -3.335 4.438 1.00 0.00 C ATOM 273 CD1 PHE A 18 -0.956 -3.346 5.739 1.00 0.00 C ATOM 274 CD2 PHE A 18 -1.147 -2.695 3.411 1.00 0.00 C ATOM 275 CE1 PHE A 18 -2.177 -2.719 6.016 1.00 0.00 C ATOM 276 CE2 PHE A 18 -2.367 -2.067 3.688 1.00 0.00 C ATOM 277 CZ PHE A 18 -2.883 -2.079 4.989 1.00 0.00 C ATOM 0 H PHE A 18 1.889 -3.775 6.325 1.00 0.00 H new ATOM 0 HA PHE A 18 0.069 -5.636 5.353 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.699 -3.316 4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.918 -4.300 3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.411 -3.839 6.530 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.750 -2.686 2.407 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.574 -2.729 7.020 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.911 -1.573 2.897 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.825 -1.595 5.201 1.00 0.00 H new ATOM 287 N ALA A 19 2.987 -6.174 3.988 1.00 0.00 N ATOM 288 CA ALA A 19 3.750 -7.224 3.257 1.00 0.00 C ATOM 289 C ALA A 19 3.712 -8.539 4.039 1.00 0.00 C ATOM 290 O ALA A 19 2.976 -9.444 3.705 1.00 0.00 O ATOM 291 CB ALA A 19 5.181 -6.693 3.168 1.00 0.00 C ATOM 0 H ALA A 19 3.519 -5.337 4.224 1.00 0.00 H new ATOM 0 HA ALA A 19 3.333 -7.426 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.805 -7.415 2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.185 -5.746 2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.575 -6.539 4.173 1.00 0.00 H new ATOM 297 N VAL A 20 4.500 -8.651 5.077 1.00 0.00 N ATOM 298 CA VAL A 20 4.514 -9.912 5.881 1.00 0.00 C ATOM 299 C VAL A 20 3.101 -10.491 6.018 1.00 0.00 C ATOM 300 O VAL A 20 2.925 -11.681 6.174 1.00 0.00 O ATOM 301 CB VAL A 20 5.074 -9.512 7.248 1.00 0.00 C ATOM 302 CG1 VAL A 20 4.061 -8.636 7.990 1.00 0.00 C ATOM 303 CG2 VAL A 20 5.352 -10.773 8.071 1.00 0.00 C ATOM 0 H VAL A 20 5.136 -7.923 5.404 1.00 0.00 H new ATOM 0 HA VAL A 20 5.116 -10.687 5.407 1.00 0.00 H new ATOM 0 HB VAL A 20 5.998 -8.952 7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.466 -8.355 8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.861 -7.737 7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.134 -9.191 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.751 -10.491 9.045 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.425 -11.331 8.206 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.078 -11.396 7.548 1.00 0.00 H new ATOM 313 N ASP A 21 2.091 -9.666 5.956 1.00 0.00 N ATOM 314 CA ASP A 21 0.702 -10.193 6.076 1.00 0.00 C ATOM 315 C ASP A 21 0.163 -10.575 4.702 1.00 0.00 C ATOM 316 O ASP A 21 0.119 -11.735 4.355 1.00 0.00 O ATOM 317 CB ASP A 21 -0.113 -9.050 6.684 1.00 0.00 C ATOM 318 CG ASP A 21 -0.065 -9.144 8.210 1.00 0.00 C ATOM 319 OD1 ASP A 21 0.947 -8.765 8.776 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.041 -9.593 8.787 1.00 0.00 O ATOM 0 H ASP A 21 2.167 -8.657 5.828 1.00 0.00 H new ATOM 0 HA ASP A 21 0.654 -11.090 6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.286 -8.090 6.356 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.145 -9.101 6.338 1.00 0.00 H new ATOM 325 N GLU A 22 -0.251 -9.628 3.909 1.00 0.00 N ATOM 326 CA GLU A 22 -0.776 -10.001 2.569 1.00 0.00 C ATOM 327 C GLU A 22 0.278 -10.807 1.813 1.00 0.00 C ATOM 328 O GLU A 22 -0.034 -11.742 1.113 1.00 0.00 O ATOM 329 CB GLU A 22 -1.107 -8.681 1.862 1.00 0.00 C ATOM 330 CG GLU A 22 -2.209 -7.955 2.635 1.00 0.00 C ATOM 331 CD GLU A 22 -3.371 -8.916 2.891 1.00 0.00 C ATOM 332 OE1 GLU A 22 -3.253 -9.732 3.790 1.00 0.00 O ATOM 333 OE2 GLU A 22 -4.360 -8.821 2.184 1.00 0.00 O ATOM 0 H GLU A 22 -0.249 -8.631 4.125 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.665 -10.628 2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.217 -8.055 1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.431 -8.874 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.818 -7.580 3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.556 -7.091 2.069 1.00 0.00 H new ATOM 340 N GLU A 23 1.523 -10.479 1.976 1.00 0.00 N ATOM 341 CA GLU A 23 2.591 -11.258 1.284 1.00 0.00 C ATOM 342 C GLU A 23 2.602 -12.683 1.821 1.00 0.00 C ATOM 343 O GLU A 23 2.520 -13.636 1.076 1.00 0.00 O ATOM 344 CB GLU A 23 3.903 -10.542 1.606 1.00 0.00 C ATOM 345 CG GLU A 23 4.997 -11.025 0.652 1.00 0.00 C ATOM 346 CD GLU A 23 6.370 -10.684 1.233 1.00 0.00 C ATOM 347 OE1 GLU A 23 6.418 -10.259 2.376 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.350 -10.853 0.526 1.00 0.00 O ATOM 0 H GLU A 23 1.852 -9.708 2.556 1.00 0.00 H new ATOM 0 HA GLU A 23 2.434 -11.315 0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.774 -9.464 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.193 -10.739 2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.912 -12.101 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.877 -10.555 -0.324 1.00 0.00 H new ATOM 355 N ASN A 24 2.672 -12.846 3.108 1.00 0.00 N ATOM 356 CA ASN A 24 2.647 -14.225 3.658 1.00 0.00 C ATOM 357 C ASN A 24 1.271 -14.819 3.379 1.00 0.00 C ATOM 358 O ASN A 24 1.143 -15.945 2.942 1.00 0.00 O ATOM 359 CB ASN A 24 2.897 -14.073 5.159 1.00 0.00 C ATOM 360 CG ASN A 24 3.228 -15.437 5.765 1.00 0.00 C ATOM 361 OD1 ASN A 24 2.419 -16.342 5.735 1.00 0.00 O ATOM 362 ND2 ASN A 24 4.396 -15.624 6.319 1.00 0.00 N ATOM 0 H ASN A 24 2.744 -12.096 3.795 1.00 0.00 H new ATOM 0 HA ASN A 24 3.393 -14.885 3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.718 -13.378 5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.016 -13.653 5.644 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.628 -16.530 6.726 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.076 -14.864 6.344 1.00 0.00 H new ATOM 369 N LYS A 25 0.238 -14.054 3.605 1.00 0.00 N ATOM 370 CA LYS A 25 -1.133 -14.562 3.328 1.00 0.00 C ATOM 371 C LYS A 25 -1.268 -14.934 1.850 1.00 0.00 C ATOM 372 O LYS A 25 -1.847 -15.943 1.503 1.00 0.00 O ATOM 373 CB LYS A 25 -2.070 -13.406 3.684 1.00 0.00 C ATOM 374 CG LYS A 25 -3.439 -13.961 4.081 1.00 0.00 C ATOM 375 CD LYS A 25 -4.375 -12.806 4.440 1.00 0.00 C ATOM 376 CE LYS A 25 -4.492 -12.696 5.962 1.00 0.00 C ATOM 377 NZ LYS A 25 -5.604 -11.731 6.194 1.00 0.00 N ATOM 0 H LYS A 25 0.285 -13.102 3.968 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.365 -15.459 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.650 -12.823 4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.172 -12.732 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.859 -14.542 3.260 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.337 -14.637 4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.993 -11.873 4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.359 -12.971 4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.709 -13.665 6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.562 -12.340 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.745 -11.603 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.366 -10.816 5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.478 -12.099 5.767 1.00 0.00 H new ATOM 391 N ILE A 26 -0.734 -14.125 0.980 1.00 0.00 N ATOM 392 CA ILE A 26 -0.831 -14.438 -0.482 1.00 0.00 C ATOM 393 C ILE A 26 0.032 -15.657 -0.820 1.00 0.00 C ATOM 394 O ILE A 26 -0.126 -16.276 -1.853 1.00 0.00 O ATOM 395 CB ILE A 26 -0.342 -13.183 -1.232 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.965 -13.156 -2.629 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.184 -13.193 -1.370 1.00 0.00 C ATOM 398 CD1 ILE A 26 -2.488 -13.247 -2.512 1.00 0.00 C ATOM 0 H ILE A 26 -0.237 -13.265 1.210 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.853 -14.683 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.640 -12.301 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.684 -12.239 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.585 -13.987 -3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.507 -12.298 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.639 -13.210 -0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.493 -14.078 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.931 -13.228 -3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.760 -14.177 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.860 -12.402 -1.933 1.00 0.00 H new ATOM 410 N GLY A 27 0.939 -16.005 0.047 1.00 0.00 N ATOM 411 CA GLY A 27 1.810 -17.185 -0.221 1.00 0.00 C ATOM 412 C GLY A 27 3.264 -16.732 -0.364 1.00 0.00 C ATOM 413 O GLY A 27 3.933 -17.054 -1.325 1.00 0.00 O ATOM 0 H GLY A 27 1.116 -15.525 0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.722 -17.906 0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.485 -17.689 -1.131 1.00 0.00 H new ATOM 417 N GLN A 28 3.760 -15.994 0.590 1.00 0.00 N ATOM 418 CA GLN A 28 5.173 -15.524 0.517 1.00 0.00 C ATOM 419 C GLN A 28 5.688 -15.215 1.924 1.00 0.00 C ATOM 420 O GLN A 28 5.694 -14.081 2.361 1.00 0.00 O ATOM 421 CB GLN A 28 5.130 -14.254 -0.335 1.00 0.00 C ATOM 422 CG GLN A 28 5.341 -14.615 -1.807 1.00 0.00 C ATOM 423 CD GLN A 28 6.642 -15.405 -1.960 1.00 0.00 C ATOM 424 OE1 GLN A 28 7.671 -15.007 -1.452 1.00 0.00 O ATOM 425 NE2 GLN A 28 6.641 -16.515 -2.645 1.00 0.00 N ATOM 0 H GLN A 28 3.247 -15.695 1.419 1.00 0.00 H new ATOM 0 HA GLN A 28 5.840 -16.272 0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.172 -13.751 -0.207 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.902 -13.558 -0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.500 -15.205 -2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.380 -13.709 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.777 -16.850 -3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.504 -17.048 -2.754 1.00 0.00 H new ATOM 434 N TYR A 29 6.117 -16.219 2.635 1.00 0.00 N ATOM 435 CA TYR A 29 6.629 -15.996 4.017 1.00 0.00 C ATOM 436 C TYR A 29 8.156 -16.069 4.024 1.00 0.00 C ATOM 437 O TYR A 29 8.763 -16.462 5.000 1.00 0.00 O ATOM 438 CB TYR A 29 6.034 -17.132 4.849 1.00 0.00 C ATOM 439 CG TYR A 29 6.615 -18.450 4.394 1.00 0.00 C ATOM 440 CD1 TYR A 29 5.990 -19.176 3.374 1.00 0.00 C ATOM 441 CD2 TYR A 29 7.779 -18.946 4.994 1.00 0.00 C ATOM 442 CE1 TYR A 29 6.528 -20.398 2.952 1.00 0.00 C ATOM 443 CE2 TYR A 29 8.318 -20.168 4.572 1.00 0.00 C ATOM 444 CZ TYR A 29 7.692 -20.894 3.552 1.00 0.00 C ATOM 445 OH TYR A 29 8.222 -22.098 3.136 1.00 0.00 O ATOM 0 H TYR A 29 6.136 -17.188 2.318 1.00 0.00 H new ATOM 0 HA TYR A 29 6.352 -15.018 4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.249 -16.974 5.906 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.949 -17.145 4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.092 -18.794 2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.261 -18.386 5.782 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.046 -20.958 2.164 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.217 -20.550 5.034 1.00 0.00 H new ATOM 0 HH TYR A 29 9.030 -22.296 3.654 1.00 0.00 H new ATOM 455 N GLY A 30 8.773 -15.696 2.935 1.00 0.00 N ATOM 456 CA GLY A 30 10.264 -15.739 2.856 1.00 0.00 C ATOM 457 C GLY A 30 10.869 -15.303 4.192 1.00 0.00 C ATOM 458 O GLY A 30 11.734 -15.960 4.735 1.00 0.00 O ATOM 0 H GLY A 30 8.307 -15.361 2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.595 -16.748 2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.614 -15.084 2.058 1.00 0.00 H new ATOM 462 N ARG A 31 10.419 -14.202 4.732 1.00 0.00 N ATOM 463 CA ARG A 31 10.969 -13.733 6.037 1.00 0.00 C ATOM 464 C ARG A 31 10.451 -12.332 6.359 1.00 0.00 C ATOM 465 O ARG A 31 9.507 -12.161 7.104 1.00 0.00 O ATOM 466 CB ARG A 31 12.487 -13.706 5.845 1.00 0.00 C ATOM 467 CG ARG A 31 13.135 -14.788 6.711 1.00 0.00 C ATOM 468 CD ARG A 31 14.555 -15.060 6.209 1.00 0.00 C ATOM 469 NE ARG A 31 15.442 -14.701 7.350 1.00 0.00 N ATOM 470 CZ ARG A 31 16.223 -13.659 7.268 1.00 0.00 C ATOM 471 NH1 ARG A 31 16.956 -13.476 6.204 1.00 0.00 N ATOM 472 NH2 ARG A 31 16.270 -12.799 8.249 1.00 0.00 N ATOM 0 H ARG A 31 9.696 -13.608 4.327 1.00 0.00 H new ATOM 0 HA ARG A 31 10.672 -14.381 6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.734 -13.870 4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 31 12.880 -12.726 6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 31 13.161 -14.468 7.753 1.00 0.00 H new ATOM 0 HG3 ARG A 31 12.543 -15.702 6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 31 14.680 -16.105 5.925 1.00 0.00 H new ATOM 0 HD3 ARG A 31 14.784 -14.461 5.328 1.00 0.00 H new ATOM 0 HE ARG A 31 15.439 -15.270 8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 31 16.918 -14.147 5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 31 17.567 -12.662 6.139 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.696 -12.941 9.080 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.881 -11.985 8.184 1.00 0.00 H new ATOM 486 N LEU A 32 11.067 -11.326 5.805 1.00 0.00 N ATOM 487 CA LEU A 32 10.621 -9.930 6.079 1.00 0.00 C ATOM 488 C LEU A 32 10.487 -9.151 4.769 1.00 0.00 C ATOM 489 O LEU A 32 11.065 -9.507 3.761 1.00 0.00 O ATOM 490 CB LEU A 32 11.718 -9.319 6.958 1.00 0.00 C ATOM 491 CG LEU A 32 13.095 -9.805 6.493 1.00 0.00 C ATOM 492 CD1 LEU A 32 13.304 -9.433 5.024 1.00 0.00 C ATOM 493 CD2 LEU A 32 14.182 -9.147 7.345 1.00 0.00 C ATOM 0 H LEU A 32 11.863 -11.410 5.172 1.00 0.00 H new ATOM 0 HA LEU A 32 9.648 -9.900 6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.671 -8.231 6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.558 -9.597 8.000 1.00 0.00 H new ATOM 0 HG LEU A 32 13.151 -10.888 6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.284 -9.780 4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.531 -9.903 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.246 -8.350 4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.162 -9.492 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.123 -8.064 7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.036 -9.415 8.391 1.00 0.00 H new ATOM 505 N THR A 33 9.727 -8.090 4.774 1.00 0.00 N ATOM 506 CA THR A 33 9.557 -7.289 3.530 1.00 0.00 C ATOM 507 C THR A 33 9.804 -5.805 3.824 1.00 0.00 C ATOM 508 O THR A 33 8.994 -4.958 3.510 1.00 0.00 O ATOM 509 CB THR A 33 8.105 -7.517 3.098 1.00 0.00 C ATOM 510 OG1 THR A 33 7.439 -8.322 4.063 1.00 0.00 O ATOM 511 CG2 THR A 33 8.075 -8.220 1.739 1.00 0.00 C ATOM 0 H THR A 33 9.217 -7.744 5.586 1.00 0.00 H new ATOM 0 HA THR A 33 10.260 -7.583 2.751 1.00 0.00 H new ATOM 0 HB THR A 33 7.600 -6.554 3.018 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.021 -9.088 3.617 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.041 -8.380 1.435 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.579 -7.600 0.998 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.584 -9.181 1.815 1.00 0.00 H new ATOM 519 N PHE A 34 10.922 -5.488 4.419 1.00 0.00 N ATOM 520 CA PHE A 34 11.225 -4.059 4.731 1.00 0.00 C ATOM 521 C PHE A 34 12.657 -3.920 5.258 1.00 0.00 C ATOM 522 O PHE A 34 12.879 -3.519 6.383 1.00 0.00 O ATOM 523 CB PHE A 34 10.215 -3.669 5.812 1.00 0.00 C ATOM 524 CG PHE A 34 10.569 -4.357 7.110 1.00 0.00 C ATOM 525 CD1 PHE A 34 10.477 -5.749 7.214 1.00 0.00 C ATOM 526 CD2 PHE A 34 10.986 -3.599 8.211 1.00 0.00 C ATOM 527 CE1 PHE A 34 10.802 -6.386 8.417 1.00 0.00 C ATOM 528 CE2 PHE A 34 11.311 -4.235 9.415 1.00 0.00 C ATOM 529 CZ PHE A 34 11.220 -5.628 9.518 1.00 0.00 C ATOM 0 H PHE A 34 11.639 -6.155 4.703 1.00 0.00 H new ATOM 0 HA PHE A 34 11.150 -3.420 3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.215 -2.588 5.950 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.209 -3.951 5.502 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.155 -6.333 6.365 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.057 -2.524 8.131 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.731 -7.461 8.496 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.632 -3.651 10.265 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.472 -6.118 10.447 1.00 0.00 H new ATOM 539 N ASN A 35 13.632 -4.256 4.457 1.00 0.00 N ATOM 540 CA ASN A 35 15.046 -4.149 4.922 1.00 0.00 C ATOM 541 C ASN A 35 15.755 -2.953 4.273 1.00 0.00 C ATOM 542 O ASN A 35 16.699 -2.418 4.819 1.00 0.00 O ATOM 543 CB ASN A 35 15.701 -5.459 4.484 1.00 0.00 C ATOM 544 CG ASN A 35 17.080 -5.582 5.133 1.00 0.00 C ATOM 545 OD1 ASN A 35 17.284 -6.405 6.004 1.00 0.00 O ATOM 546 ND2 ASN A 35 18.045 -4.794 4.743 1.00 0.00 N ATOM 0 H ASN A 35 13.512 -4.599 3.504 1.00 0.00 H new ATOM 0 HA ASN A 35 15.106 -3.992 5.999 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.076 -6.304 4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.795 -5.486 3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 35 18.969 -4.869 5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.875 -4.103 4.012 1.00 0.00 H new ATOM 553 N LYS A 36 15.327 -2.531 3.111 1.00 0.00 N ATOM 554 CA LYS A 36 16.012 -1.378 2.451 1.00 0.00 C ATOM 555 C LYS A 36 15.282 -0.055 2.734 1.00 0.00 C ATOM 556 O LYS A 36 15.590 0.625 3.693 1.00 0.00 O ATOM 557 CB LYS A 36 16.017 -1.711 0.957 1.00 0.00 C ATOM 558 CG LYS A 36 17.460 -1.918 0.494 1.00 0.00 C ATOM 559 CD LYS A 36 17.893 -3.353 0.799 1.00 0.00 C ATOM 560 CE LYS A 36 19.142 -3.333 1.682 1.00 0.00 C ATOM 561 NZ LYS A 36 20.283 -3.497 0.738 1.00 0.00 N ATOM 0 H LYS A 36 14.542 -2.929 2.595 1.00 0.00 H new ATOM 0 HA LYS A 36 17.024 -1.238 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.430 -2.610 0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.553 -0.904 0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.542 -1.722 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.120 -1.213 0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.088 -3.888 1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.099 -3.887 -0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.219 -2.397 2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.119 -4.138 2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 21.177 -3.493 1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.186 -4.399 0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.283 -2.713 0.054 1.00 0.00 H new ATOM 575 N VAL A 37 14.335 0.339 1.915 1.00 0.00 N ATOM 576 CA VAL A 37 13.638 1.639 2.171 1.00 0.00 C ATOM 577 C VAL A 37 12.286 1.702 1.442 1.00 0.00 C ATOM 578 O VAL A 37 11.946 0.841 0.656 1.00 0.00 O ATOM 579 CB VAL A 37 14.600 2.694 1.615 1.00 0.00 C ATOM 580 CG1 VAL A 37 13.854 4.005 1.351 1.00 0.00 C ATOM 581 CG2 VAL A 37 15.720 2.948 2.626 1.00 0.00 C ATOM 0 H VAL A 37 14.019 -0.175 1.093 1.00 0.00 H new ATOM 0 HA VAL A 37 13.414 1.784 3.228 1.00 0.00 H new ATOM 0 HB VAL A 37 15.021 2.327 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.549 4.746 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.058 3.831 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.423 4.372 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.404 3.699 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.291 3.306 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.264 2.021 2.807 1.00 0.00 H new ATOM 591 N ILE A 38 11.518 2.732 1.706 1.00 0.00 N ATOM 592 CA ILE A 38 10.187 2.887 1.043 1.00 0.00 C ATOM 593 C ILE A 38 10.010 4.338 0.579 1.00 0.00 C ATOM 594 O ILE A 38 9.403 5.145 1.253 1.00 0.00 O ATOM 595 CB ILE A 38 9.168 2.539 2.137 1.00 0.00 C ATOM 596 CG1 ILE A 38 7.741 2.854 1.622 1.00 0.00 C ATOM 597 CG2 ILE A 38 9.498 3.337 3.412 1.00 0.00 C ATOM 598 CD1 ILE A 38 6.984 3.791 2.574 1.00 0.00 C ATOM 0 H ILE A 38 11.760 3.478 2.358 1.00 0.00 H new ATOM 0 HA ILE A 38 10.073 2.253 0.164 1.00 0.00 H new ATOM 0 HB ILE A 38 9.216 1.478 2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.804 3.312 0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.183 1.925 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.776 3.092 4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.501 3.080 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.451 4.404 3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.988 3.987 2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.898 3.322 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.528 4.731 2.669 1.00 0.00 H new ATOM 610 N ARG A 39 10.549 4.682 -0.561 1.00 0.00 N ATOM 611 CA ARG A 39 10.419 6.089 -1.043 1.00 0.00 C ATOM 612 C ARG A 39 9.342 6.214 -2.130 1.00 0.00 C ATOM 613 O ARG A 39 8.408 6.976 -1.977 1.00 0.00 O ATOM 614 CB ARG A 39 11.797 6.448 -1.601 1.00 0.00 C ATOM 615 CG ARG A 39 12.377 7.624 -0.812 1.00 0.00 C ATOM 616 CD ARG A 39 13.672 7.187 -0.124 1.00 0.00 C ATOM 617 NE ARG A 39 14.048 8.333 0.751 1.00 0.00 N ATOM 618 CZ ARG A 39 15.267 8.435 1.205 1.00 0.00 C ATOM 619 NH1 ARG A 39 16.278 8.353 0.384 1.00 0.00 N ATOM 620 NH2 ARG A 39 15.475 8.619 2.480 1.00 0.00 N ATOM 0 H ARG A 39 11.070 4.056 -1.175 1.00 0.00 H new ATOM 0 HA ARG A 39 10.112 6.759 -0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.463 5.588 -1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.717 6.709 -2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.573 8.463 -1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.657 7.969 -0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.522 6.278 0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.454 6.974 -0.853 1.00 0.00 H new ATOM 0 HE ARG A 39 13.352 9.038 0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.115 8.209 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.231 8.433 0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.685 8.683 3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.428 8.699 2.835 1.00 0.00 H new ATOM 634 N PRO A 40 9.501 5.478 -3.201 1.00 0.00 N ATOM 635 CA PRO A 40 8.520 5.547 -4.306 1.00 0.00 C ATOM 636 C PRO A 40 7.262 4.726 -3.992 1.00 0.00 C ATOM 637 O PRO A 40 6.772 3.963 -4.801 1.00 0.00 O ATOM 638 CB PRO A 40 9.285 4.988 -5.502 1.00 0.00 C ATOM 639 CG PRO A 40 10.369 4.124 -4.929 1.00 0.00 C ATOM 640 CD PRO A 40 10.585 4.529 -3.487 1.00 0.00 C ATOM 0 HA PRO A 40 8.152 6.557 -4.485 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.627 4.410 -6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.705 5.791 -6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.089 3.072 -4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.290 4.242 -5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.542 3.666 -2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.563 4.990 -3.347 1.00 0.00 H new ATOM 648 N CYS A 41 6.718 4.898 -2.827 1.00 0.00 N ATOM 649 CA CYS A 41 5.478 4.151 -2.474 1.00 0.00 C ATOM 650 C CYS A 41 4.270 5.092 -2.536 1.00 0.00 C ATOM 651 O CYS A 41 4.218 6.106 -1.862 1.00 0.00 O ATOM 652 CB CYS A 41 5.702 3.643 -1.051 1.00 0.00 C ATOM 653 SG CYS A 41 6.105 5.036 0.024 1.00 0.00 S ATOM 0 H CYS A 41 7.074 5.521 -2.102 1.00 0.00 H new ATOM 0 HA CYS A 41 5.278 3.329 -3.161 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.808 3.136 -0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.510 2.912 -1.037 1.00 0.00 H new ATOM 0 HG CYS A 41 7.386 5.253 -0.009 1.00 0.00 H new ATOM 659 N MET A 42 3.302 4.770 -3.349 1.00 0.00 N ATOM 660 CA MET A 42 2.101 5.645 -3.464 1.00 0.00 C ATOM 661 C MET A 42 0.851 4.883 -3.022 1.00 0.00 C ATOM 662 O MET A 42 0.815 3.670 -3.033 1.00 0.00 O ATOM 663 CB MET A 42 2.011 5.997 -4.949 1.00 0.00 C ATOM 664 CG MET A 42 3.090 7.023 -5.299 1.00 0.00 C ATOM 665 SD MET A 42 4.635 6.165 -5.691 1.00 0.00 S ATOM 666 CE MET A 42 5.532 7.596 -6.339 1.00 0.00 C ATOM 0 H MET A 42 3.291 3.938 -3.939 1.00 0.00 H new ATOM 0 HA MET A 42 2.174 6.533 -2.836 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.138 5.099 -5.554 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.024 6.399 -5.179 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.771 7.626 -6.149 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.243 7.705 -4.463 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.532 7.290 -6.647 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.997 8.003 -7.197 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.609 8.359 -5.564 1.00 0.00 H new ATOM 676 N LYS A 43 -0.179 5.580 -2.636 1.00 0.00 N ATOM 677 CA LYS A 43 -1.420 4.881 -2.203 1.00 0.00 C ATOM 678 C LYS A 43 -2.629 5.443 -2.947 1.00 0.00 C ATOM 679 O LYS A 43 -2.839 6.638 -2.999 1.00 0.00 O ATOM 680 CB LYS A 43 -1.531 5.150 -0.702 1.00 0.00 C ATOM 681 CG LYS A 43 -2.950 4.827 -0.228 1.00 0.00 C ATOM 682 CD LYS A 43 -3.847 6.048 -0.434 1.00 0.00 C ATOM 683 CE LYS A 43 -4.348 6.549 0.922 1.00 0.00 C ATOM 684 NZ LYS A 43 -5.556 7.361 0.610 1.00 0.00 N ATOM 0 H LYS A 43 -0.216 6.599 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.388 3.813 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.808 4.542 -0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.294 6.193 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.345 3.975 -0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.938 4.545 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.294 6.837 -0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.692 5.788 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.591 5.718 1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.590 7.148 1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.477 8.291 1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.632 7.488 -0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.404 6.872 0.962 1.00 0.00 H new ATOM 698 N LYS A 44 -3.431 4.589 -3.520 1.00 0.00 N ATOM 699 CA LYS A 44 -4.628 5.077 -4.257 1.00 0.00 C ATOM 700 C LYS A 44 -5.862 4.295 -3.808 1.00 0.00 C ATOM 701 O LYS A 44 -5.886 3.080 -3.842 1.00 0.00 O ATOM 702 CB LYS A 44 -4.326 4.813 -5.732 1.00 0.00 C ATOM 703 CG LYS A 44 -3.374 5.887 -6.262 1.00 0.00 C ATOM 704 CD LYS A 44 -2.461 5.280 -7.329 1.00 0.00 C ATOM 705 CE LYS A 44 -1.267 6.207 -7.567 1.00 0.00 C ATOM 706 NZ LYS A 44 -1.733 7.178 -8.596 1.00 0.00 N ATOM 0 H LYS A 44 -3.309 3.576 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.831 6.132 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.879 3.826 -5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.251 4.816 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.943 6.716 -6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.777 6.293 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.114 4.297 -7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.014 5.136 -8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.973 6.715 -6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.398 5.649 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.297 8.106 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.460 6.840 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.768 7.267 -8.546 1.00 0.00 H new ATOM 720 N THR A 45 -6.883 4.975 -3.378 1.00 0.00 N ATOM 721 CA THR A 45 -8.102 4.255 -2.914 1.00 0.00 C ATOM 722 C THR A 45 -9.345 4.744 -3.661 1.00 0.00 C ATOM 723 O THR A 45 -9.337 5.788 -4.282 1.00 0.00 O ATOM 724 CB THR A 45 -8.207 4.592 -1.426 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.155 3.948 -0.723 1.00 0.00 O ATOM 726 CG2 THR A 45 -9.546 4.099 -0.898 1.00 0.00 C ATOM 0 H THR A 45 -6.929 5.993 -3.327 1.00 0.00 H new ATOM 0 HA THR A 45 -8.036 3.182 -3.096 1.00 0.00 H new ATOM 0 HB THR A 45 -8.131 5.670 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.271 4.089 0.240 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.628 4.336 0.163 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.354 4.588 -1.443 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.616 3.020 -1.035 1.00 0.00 H new ATOM 734 N ILE A 46 -10.424 4.005 -3.588 1.00 0.00 N ATOM 735 CA ILE A 46 -11.670 4.439 -4.268 1.00 0.00 C ATOM 736 C ILE A 46 -12.783 4.410 -3.239 1.00 0.00 C ATOM 737 O ILE A 46 -13.813 3.807 -3.428 1.00 0.00 O ATOM 738 CB ILE A 46 -11.920 3.401 -5.356 1.00 0.00 C ATOM 739 CG1 ILE A 46 -13.276 3.677 -6.007 1.00 0.00 C ATOM 740 CG2 ILE A 46 -11.927 2.009 -4.724 1.00 0.00 C ATOM 741 CD1 ILE A 46 -13.062 4.185 -7.432 1.00 0.00 C ATOM 0 H ILE A 46 -10.490 3.120 -3.085 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.611 5.440 -4.695 1.00 0.00 H new ATOM 0 HB ILE A 46 -11.136 3.454 -6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.877 2.768 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.827 4.415 -5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.105 1.260 -5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.964 1.820 -4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.717 1.953 -3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.028 4.382 -7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.477 5.105 -7.407 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.528 3.431 -8.011 1.00 0.00 H new ATOM 753 N TYR A 47 -12.547 5.032 -2.129 1.00 0.00 N ATOM 754 CA TYR A 47 -13.548 5.025 -1.036 1.00 0.00 C ATOM 755 C TYR A 47 -14.781 5.846 -1.407 1.00 0.00 C ATOM 756 O TYR A 47 -15.070 6.087 -2.562 1.00 0.00 O ATOM 757 CB TYR A 47 -12.820 5.642 0.165 1.00 0.00 C ATOM 758 CG TYR A 47 -12.219 6.976 -0.219 1.00 0.00 C ATOM 759 CD1 TYR A 47 -13.050 8.046 -0.578 1.00 0.00 C ATOM 760 CD2 TYR A 47 -10.829 7.145 -0.212 1.00 0.00 C ATOM 761 CE1 TYR A 47 -12.491 9.279 -0.932 1.00 0.00 C ATOM 762 CE2 TYR A 47 -10.271 8.378 -0.565 1.00 0.00 C ATOM 763 CZ TYR A 47 -11.101 9.446 -0.926 1.00 0.00 C ATOM 764 OH TYR A 47 -10.550 10.662 -1.274 1.00 0.00 O ATOM 0 H TYR A 47 -11.693 5.552 -1.928 1.00 0.00 H new ATOM 0 HA TYR A 47 -13.913 4.020 -0.826 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.516 5.773 0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -12.037 4.968 0.511 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.122 7.919 -0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.187 6.322 0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -13.132 10.102 -1.210 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.199 8.506 -0.559 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.572 10.598 -1.247 1.00 0.00 H new ATOM 774 N GLU A 48 -15.516 6.244 -0.417 1.00 0.00 N ATOM 775 CA GLU A 48 -16.762 7.023 -0.640 1.00 0.00 C ATOM 776 C GLU A 48 -16.480 8.418 -1.202 1.00 0.00 C ATOM 777 O GLU A 48 -15.540 8.630 -1.942 1.00 0.00 O ATOM 778 CB GLU A 48 -17.348 7.115 0.766 1.00 0.00 C ATOM 779 CG GLU A 48 -16.770 8.322 1.524 1.00 0.00 C ATOM 780 CD GLU A 48 -16.426 7.912 2.957 1.00 0.00 C ATOM 781 OE1 GLU A 48 -15.311 7.467 3.173 1.00 0.00 O ATOM 782 OE2 GLU A 48 -17.284 8.051 3.814 1.00 0.00 O ATOM 0 H GLU A 48 -15.303 6.059 0.563 1.00 0.00 H new ATOM 0 HA GLU A 48 -17.424 6.558 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.433 7.203 0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.132 6.198 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.878 8.690 1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.492 9.139 1.532 1.00 0.00 H new ATOM 789 N ASN A 49 -17.299 9.371 -0.846 1.00 0.00 N ATOM 790 CA ASN A 49 -17.097 10.759 -1.346 1.00 0.00 C ATOM 791 C ASN A 49 -17.762 11.754 -0.396 1.00 0.00 C ATOM 792 O ASN A 49 -17.267 12.841 -0.174 1.00 0.00 O ATOM 793 CB ASN A 49 -17.772 10.790 -2.718 1.00 0.00 C ATOM 794 CG ASN A 49 -16.758 11.226 -3.776 1.00 0.00 C ATOM 795 OD1 ASN A 49 -15.564 11.148 -3.560 1.00 0.00 O ATOM 796 ND2 ASN A 49 -17.184 11.684 -4.921 1.00 0.00 N ATOM 0 H ASN A 49 -18.101 9.246 -0.229 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.043 11.030 -1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -18.168 9.804 -2.963 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -18.617 11.478 -2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.516 11.976 -5.634 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.185 11.750 -5.103 1.00 0.00 H new ATOM 803 N GLU A 50 -18.882 11.391 0.168 1.00 0.00 N ATOM 804 CA GLU A 50 -19.575 12.316 1.101 1.00 0.00 C ATOM 805 C GLU A 50 -19.943 11.599 2.405 1.00 0.00 C ATOM 806 O GLU A 50 -19.978 12.202 3.458 1.00 0.00 O ATOM 807 CB GLU A 50 -20.838 12.753 0.357 1.00 0.00 C ATOM 808 CG GLU A 50 -20.939 14.279 0.373 1.00 0.00 C ATOM 809 CD GLU A 50 -19.650 14.883 -0.190 1.00 0.00 C ATOM 810 OE1 GLU A 50 -19.532 14.952 -1.403 1.00 0.00 O ATOM 811 OE2 GLU A 50 -18.804 15.265 0.601 1.00 0.00 O ATOM 0 H GLU A 50 -19.345 10.494 0.021 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.945 13.162 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -20.811 12.391 -0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -21.719 12.315 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.794 14.603 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -21.104 14.632 1.391 1.00 0.00 H new ATOM 818 N ARG A 51 -20.227 10.321 2.354 1.00 0.00 N ATOM 819 CA ARG A 51 -20.597 9.611 3.621 1.00 0.00 C ATOM 820 C ARG A 51 -20.706 8.093 3.425 1.00 0.00 C ATOM 821 O ARG A 51 -21.338 7.409 4.206 1.00 0.00 O ATOM 822 CB ARG A 51 -21.958 10.187 4.000 1.00 0.00 C ATOM 823 CG ARG A 51 -22.880 10.171 2.780 1.00 0.00 C ATOM 824 CD ARG A 51 -24.042 9.208 3.031 1.00 0.00 C ATOM 825 NE ARG A 51 -25.268 10.005 2.748 1.00 0.00 N ATOM 826 CZ ARG A 51 -26.431 9.581 3.161 1.00 0.00 C ATOM 827 NH1 ARG A 51 -27.044 8.627 2.516 1.00 0.00 N ATOM 828 NH2 ARG A 51 -26.980 10.110 4.220 1.00 0.00 N ATOM 0 H ARG A 51 -20.220 9.747 1.511 1.00 0.00 H new ATOM 0 HA ARG A 51 -19.838 9.757 4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -22.398 9.604 4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -21.843 11.207 4.368 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -23.260 11.174 2.585 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -22.324 9.864 1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -23.979 8.335 2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -24.037 8.842 4.058 1.00 0.00 H new ATOM 0 HE ARG A 51 -25.199 10.882 2.232 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -26.614 8.213 1.689 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -27.953 8.295 2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -26.500 10.855 4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -27.889 9.779 4.543 1.00 0.00 H new ATOM 842 N GLU A 52 -20.109 7.559 2.404 1.00 0.00 N ATOM 843 CA GLU A 52 -20.198 6.082 2.183 1.00 0.00 C ATOM 844 C GLU A 52 -18.838 5.427 2.396 1.00 0.00 C ATOM 845 O GLU A 52 -18.010 5.911 3.138 1.00 0.00 O ATOM 846 CB GLU A 52 -20.639 5.925 0.726 1.00 0.00 C ATOM 847 CG GLU A 52 -21.776 6.902 0.428 1.00 0.00 C ATOM 848 CD GLU A 52 -22.635 6.354 -0.715 1.00 0.00 C ATOM 849 OE1 GLU A 52 -22.074 5.745 -1.611 1.00 0.00 O ATOM 850 OE2 GLU A 52 -23.838 6.552 -0.672 1.00 0.00 O ATOM 0 H GLU A 52 -19.564 8.072 1.711 1.00 0.00 H new ATOM 0 HA GLU A 52 -20.891 5.607 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.798 6.114 0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -20.967 4.902 0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -22.387 7.048 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -21.370 7.877 0.157 1.00 0.00 H new ATOM 857 N ILE A 53 -18.605 4.340 1.722 1.00 0.00 N ATOM 858 CA ILE A 53 -17.294 3.619 1.828 1.00 0.00 C ATOM 859 C ILE A 53 -17.173 2.641 0.657 1.00 0.00 C ATOM 860 O ILE A 53 -18.103 1.927 0.348 1.00 0.00 O ATOM 861 CB ILE A 53 -17.348 2.866 3.165 1.00 0.00 C ATOM 862 CG1 ILE A 53 -17.015 3.822 4.314 1.00 0.00 C ATOM 863 CG2 ILE A 53 -16.325 1.730 3.157 1.00 0.00 C ATOM 864 CD1 ILE A 53 -18.303 4.225 5.034 1.00 0.00 C ATOM 0 H ILE A 53 -19.276 3.906 1.088 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.436 4.290 1.792 1.00 0.00 H new ATOM 0 HB ILE A 53 -18.351 2.462 3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -16.330 3.342 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -16.509 4.707 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -16.365 1.197 4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -16.553 1.040 2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.326 2.141 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -18.065 4.905 5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -18.972 4.722 4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -18.791 3.335 5.433 1.00 0.00 H new ATOM 876 N LYS A 54 -16.055 2.610 -0.024 1.00 0.00 N ATOM 877 CA LYS A 54 -15.954 1.673 -1.185 1.00 0.00 C ATOM 878 C LYS A 54 -14.770 0.702 -1.074 1.00 0.00 C ATOM 879 O LYS A 54 -14.960 -0.462 -0.785 1.00 0.00 O ATOM 880 CB LYS A 54 -15.796 2.558 -2.409 1.00 0.00 C ATOM 881 CG LYS A 54 -17.072 2.480 -3.245 1.00 0.00 C ATOM 882 CD LYS A 54 -17.380 3.854 -3.843 1.00 0.00 C ATOM 883 CE LYS A 54 -16.863 3.914 -5.281 1.00 0.00 C ATOM 884 NZ LYS A 54 -16.687 5.366 -5.564 1.00 0.00 N ATOM 0 H LYS A 54 -15.228 3.176 0.166 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.840 1.040 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.606 3.588 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.938 2.235 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.953 1.745 -4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.905 2.147 -2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -18.454 4.038 -3.824 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.912 4.636 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.922 3.374 -5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.570 3.459 -5.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.334 5.490 -6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -17.601 5.853 -5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.003 5.770 -4.892 1.00 0.00 H new ATOM 898 N GLY A 55 -13.554 1.131 -1.326 1.00 0.00 N ATOM 899 CA GLY A 55 -12.429 0.155 -1.246 1.00 0.00 C ATOM 900 C GLY A 55 -11.128 0.887 -0.964 1.00 0.00 C ATOM 901 O GLY A 55 -11.123 2.074 -0.729 1.00 0.00 O ATOM 0 H GLY A 55 -13.300 2.087 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.624 -0.574 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.349 -0.399 -2.181 1.00 0.00 H new ATOM 905 N TYR A 56 -10.028 0.182 -0.982 1.00 0.00 N ATOM 906 CA TYR A 56 -8.717 0.832 -0.707 1.00 0.00 C ATOM 907 C TYR A 56 -7.563 -0.048 -1.204 1.00 0.00 C ATOM 908 O TYR A 56 -7.272 -1.085 -0.641 1.00 0.00 O ATOM 909 CB TYR A 56 -8.670 0.975 0.815 1.00 0.00 C ATOM 910 CG TYR A 56 -7.384 1.647 1.229 1.00 0.00 C ATOM 911 CD1 TYR A 56 -6.175 0.943 1.174 1.00 0.00 C ATOM 912 CD2 TYR A 56 -7.400 2.976 1.673 1.00 0.00 C ATOM 913 CE1 TYR A 56 -4.983 1.568 1.563 1.00 0.00 C ATOM 914 CE2 TYR A 56 -6.209 3.599 2.061 1.00 0.00 C ATOM 915 CZ TYR A 56 -5.000 2.895 2.006 1.00 0.00 C ATOM 916 OH TYR A 56 -3.826 3.509 2.390 1.00 0.00 O ATOM 0 H TYR A 56 -9.983 -0.818 -1.176 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.615 1.791 -1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.523 1.559 1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.745 -0.006 1.284 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.161 -0.081 0.832 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.332 3.520 1.716 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.050 1.025 1.521 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.222 4.623 2.403 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.197 2.834 2.722 1.00 0.00 H new ATOM 926 N GLU A 57 -6.898 0.368 -2.249 1.00 0.00 N ATOM 927 CA GLU A 57 -5.751 -0.427 -2.781 1.00 0.00 C ATOM 928 C GLU A 57 -4.522 0.478 -2.869 1.00 0.00 C ATOM 929 O GLU A 57 -4.594 1.653 -2.563 1.00 0.00 O ATOM 930 CB GLU A 57 -6.191 -0.885 -4.173 1.00 0.00 C ATOM 931 CG GLU A 57 -6.337 0.332 -5.087 1.00 0.00 C ATOM 932 CD GLU A 57 -5.026 0.571 -5.837 1.00 0.00 C ATOM 933 OE1 GLU A 57 -4.832 -0.055 -6.866 1.00 0.00 O ATOM 934 OE2 GLU A 57 -4.236 1.375 -5.370 1.00 0.00 O ATOM 0 H GLU A 57 -7.100 1.228 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.492 -1.278 -2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.460 -1.579 -4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.138 -1.421 -4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.149 0.171 -5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.597 1.212 -4.499 1.00 0.00 H new ATOM 941 N TYR A 58 -3.390 -0.029 -3.272 1.00 0.00 N ATOM 942 CA TYR A 58 -2.206 0.889 -3.338 1.00 0.00 C ATOM 943 C TYR A 58 -1.026 0.333 -4.138 1.00 0.00 C ATOM 944 O TYR A 58 -1.003 -0.806 -4.561 1.00 0.00 O ATOM 945 CB TYR A 58 -1.807 1.117 -1.868 1.00 0.00 C ATOM 946 CG TYR A 58 -0.703 0.167 -1.413 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.642 -1.155 -1.884 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.242 0.609 -0.477 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.352 -2.020 -1.419 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.240 -0.258 -0.021 1.00 0.00 C ATOM 951 CZ TYR A 58 1.292 -1.572 -0.488 1.00 0.00 C ATOM 952 OH TYR A 58 2.272 -2.429 -0.031 1.00 0.00 O ATOM 0 H TYR A 58 -3.230 -0.997 -3.549 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.473 1.805 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.473 2.147 -1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.682 0.985 -1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.365 -1.503 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.199 1.623 -0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.394 -3.037 -1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.971 0.090 0.693 1.00 0.00 H new ATOM 0 HH TYR A 58 2.487 -3.082 -0.729 1.00 0.00 H new ATOM 962 N GLN A 59 -0.027 1.158 -4.288 1.00 0.00 N ATOM 963 CA GLN A 59 1.217 0.763 -4.993 1.00 0.00 C ATOM 964 C GLN A 59 2.384 1.095 -4.058 1.00 0.00 C ATOM 965 O GLN A 59 2.514 2.207 -3.589 1.00 0.00 O ATOM 966 CB GLN A 59 1.252 1.622 -6.261 1.00 0.00 C ATOM 967 CG GLN A 59 2.699 1.804 -6.731 1.00 0.00 C ATOM 968 CD GLN A 59 2.706 2.332 -8.168 1.00 0.00 C ATOM 969 OE1 GLN A 59 3.496 1.898 -8.982 1.00 0.00 O ATOM 970 NE2 GLN A 59 1.854 3.258 -8.514 1.00 0.00 N ATOM 0 H GLN A 59 -0.025 2.117 -3.939 1.00 0.00 H new ATOM 0 HA GLN A 59 1.272 -0.294 -5.254 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.662 1.149 -7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.800 2.594 -6.064 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.221 2.500 -6.074 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.232 0.855 -6.678 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.191 3.622 -7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.851 3.618 -9.468 1.00 0.00 H new ATOM 979 N LEU A 60 3.216 0.147 -3.756 1.00 0.00 N ATOM 980 CA LEU A 60 4.336 0.421 -2.824 1.00 0.00 C ATOM 981 C LEU A 60 5.661 0.175 -3.524 1.00 0.00 C ATOM 982 O LEU A 60 6.393 -0.735 -3.191 1.00 0.00 O ATOM 983 CB LEU A 60 4.122 -0.569 -1.681 1.00 0.00 C ATOM 984 CG LEU A 60 5.182 -0.368 -0.597 1.00 0.00 C ATOM 985 CD1 LEU A 60 4.851 0.884 0.221 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.189 -1.586 0.330 1.00 0.00 C ATOM 0 H LEU A 60 3.170 -0.807 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 60 4.360 1.452 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.128 -0.434 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.170 -1.589 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 60 6.160 -0.249 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.608 1.025 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.836 1.754 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.874 0.765 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.943 -1.449 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.208 -1.697 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.421 -2.481 -0.247 1.00 0.00 H new ATOM 998 N TYR A 61 5.982 0.986 -4.487 1.00 0.00 N ATOM 999 CA TYR A 61 7.263 0.801 -5.194 1.00 0.00 C ATOM 1000 C TYR A 61 8.394 1.161 -4.233 1.00 0.00 C ATOM 1001 O TYR A 61 8.577 2.306 -3.874 1.00 0.00 O ATOM 1002 CB TYR A 61 7.176 1.744 -6.382 1.00 0.00 C ATOM 1003 CG TYR A 61 7.969 1.179 -7.537 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.367 1.238 -7.521 1.00 0.00 C ATOM 1005 CD2 TYR A 61 7.305 0.596 -8.623 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.103 0.715 -8.592 1.00 0.00 C ATOM 1007 CE2 TYR A 61 8.039 0.073 -9.693 1.00 0.00 C ATOM 1008 CZ TYR A 61 9.438 0.132 -9.678 1.00 0.00 C ATOM 1009 OH TYR A 61 10.162 -0.384 -10.733 1.00 0.00 O ATOM 0 H TYR A 61 5.411 1.766 -4.811 1.00 0.00 H new ATOM 0 HA TYR A 61 7.455 -0.217 -5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.135 1.881 -6.675 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.562 2.726 -6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.879 1.687 -6.683 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.226 0.550 -8.635 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.182 0.761 -8.580 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.527 -0.376 -10.531 1.00 0.00 H new ATOM 0 HH TYR A 61 10.009 -1.350 -10.793 1.00 0.00 H new ATOM 1019 N VAL A 62 9.122 0.176 -3.783 1.00 0.00 N ATOM 1020 CA VAL A 62 10.220 0.414 -2.810 1.00 0.00 C ATOM 1021 C VAL A 62 11.169 -0.773 -2.845 1.00 0.00 C ATOM 1022 O VAL A 62 11.264 -1.481 -3.828 1.00 0.00 O ATOM 1023 CB VAL A 62 9.525 0.478 -1.450 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.535 1.643 -1.425 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.771 -0.829 -1.207 1.00 0.00 C ATOM 0 H VAL A 62 8.998 -0.799 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 62 10.792 1.317 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 62 10.273 0.625 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.044 1.682 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.068 2.577 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.786 1.501 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.274 -0.787 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.027 -0.971 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.474 -1.662 -1.219 1.00 0.00 H new ATOM 1035 N TYR A 63 11.850 -1.011 -1.773 1.00 0.00 N ATOM 1036 CA TYR A 63 12.770 -2.175 -1.736 1.00 0.00 C ATOM 1037 C TYR A 63 12.975 -2.662 -0.309 1.00 0.00 C ATOM 1038 O TYR A 63 13.498 -1.958 0.530 1.00 0.00 O ATOM 1039 CB TYR A 63 14.097 -1.694 -2.313 1.00 0.00 C ATOM 1040 CG TYR A 63 15.093 -2.836 -2.279 1.00 0.00 C ATOM 1041 CD1 TYR A 63 14.658 -4.154 -2.062 1.00 0.00 C ATOM 1042 CD2 TYR A 63 16.454 -2.575 -2.463 1.00 0.00 C ATOM 1043 CE1 TYR A 63 15.584 -5.203 -2.031 1.00 0.00 C ATOM 1044 CE2 TYR A 63 17.380 -3.625 -2.434 1.00 0.00 C ATOM 1045 CZ TYR A 63 16.946 -4.939 -2.218 1.00 0.00 C ATOM 1046 OH TYR A 63 17.860 -5.972 -2.190 1.00 0.00 O ATOM 0 H TYR A 63 11.813 -0.454 -0.919 1.00 0.00 H new ATOM 0 HA TYR A 63 12.359 -3.008 -2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 63 13.958 -1.346 -3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.474 -0.849 -1.737 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.607 -4.358 -1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 63 16.792 -1.562 -2.628 1.00 0.00 H new ATOM 0 HE1 TYR A 63 15.248 -6.216 -1.863 1.00 0.00 H new ATOM 0 HE2 TYR A 63 18.431 -3.421 -2.578 1.00 0.00 H new ATOM 0 HH TYR A 63 18.761 -5.616 -2.338 1.00 0.00 H new ATOM 1056 N ALA A 64 12.580 -3.867 -0.033 1.00 0.00 N ATOM 1057 CA ALA A 64 12.772 -4.414 1.333 1.00 0.00 C ATOM 1058 C ALA A 64 13.937 -5.409 1.328 1.00 0.00 C ATOM 1059 O ALA A 64 15.091 -5.026 1.298 1.00 0.00 O ATOM 1060 CB ALA A 64 11.458 -5.111 1.657 1.00 0.00 C ATOM 0 H ALA A 64 12.131 -4.499 -0.696 1.00 0.00 H new ATOM 0 HA ALA A 64 13.013 -3.648 2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.513 -5.546 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.644 -4.387 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.275 -5.900 0.927 1.00 0.00 H new ATOM 1066 N SER A 65 13.646 -6.678 1.338 1.00 0.00 N ATOM 1067 CA SER A 65 14.728 -7.701 1.312 1.00 0.00 C ATOM 1068 C SER A 65 14.566 -8.577 0.065 1.00 0.00 C ATOM 1069 O SER A 65 15.516 -9.131 -0.449 1.00 0.00 O ATOM 1070 CB SER A 65 14.529 -8.527 2.582 1.00 0.00 C ATOM 1071 OG SER A 65 15.615 -9.433 2.728 1.00 0.00 O ATOM 0 H SER A 65 12.698 -7.054 1.363 1.00 0.00 H new ATOM 0 HA SER A 65 15.724 -7.261 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.468 -7.871 3.450 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.588 -9.075 2.530 1.00 0.00 H new ATOM 0 HG SER A 65 15.276 -10.352 2.733 1.00 0.00 H new ATOM 1077 N ASP A 66 13.359 -8.695 -0.422 1.00 0.00 N ATOM 1078 CA ASP A 66 13.113 -9.524 -1.637 1.00 0.00 C ATOM 1079 C ASP A 66 12.136 -8.801 -2.576 1.00 0.00 C ATOM 1080 O ASP A 66 11.713 -9.336 -3.580 1.00 0.00 O ATOM 1081 CB ASP A 66 12.493 -10.818 -1.111 1.00 0.00 C ATOM 1082 CG ASP A 66 11.273 -10.486 -0.250 1.00 0.00 C ATOM 1083 OD1 ASP A 66 10.400 -9.789 -0.739 1.00 0.00 O ATOM 1084 OD2 ASP A 66 11.232 -10.935 0.884 1.00 0.00 O ATOM 0 H ASP A 66 12.530 -8.251 -0.028 1.00 0.00 H new ATOM 0 HA ASP A 66 14.024 -9.711 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.201 -11.458 -1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.225 -11.372 -0.524 1.00 0.00 H new ATOM 1089 N LYS A 67 11.778 -7.588 -2.250 1.00 0.00 N ATOM 1090 CA LYS A 67 10.831 -6.823 -3.114 1.00 0.00 C ATOM 1091 C LYS A 67 11.568 -5.693 -3.828 1.00 0.00 C ATOM 1092 O LYS A 67 11.600 -4.570 -3.370 1.00 0.00 O ATOM 1093 CB LYS A 67 9.794 -6.257 -2.149 1.00 0.00 C ATOM 1094 CG LYS A 67 9.040 -5.095 -2.806 1.00 0.00 C ATOM 1095 CD LYS A 67 9.291 -3.814 -2.012 1.00 0.00 C ATOM 1096 CE LYS A 67 8.431 -3.834 -0.745 1.00 0.00 C ATOM 1097 NZ LYS A 67 9.384 -3.995 0.389 1.00 0.00 N ATOM 0 H LYS A 67 12.102 -7.092 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 67 10.377 -7.445 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.092 -7.038 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.283 -5.914 -1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.372 -4.968 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.972 -5.312 -2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.346 -3.735 -1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.047 -2.942 -2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.858 -2.912 -0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.713 -4.654 -0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.882 -3.847 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.786 -4.954 0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.150 -3.297 0.301 1.00 0.00 H new ATOM 1111 N LEU A 68 12.147 -5.984 -4.951 1.00 0.00 N ATOM 1112 CA LEU A 68 12.877 -4.934 -5.719 1.00 0.00 C ATOM 1113 C LEU A 68 11.914 -4.228 -6.669 1.00 0.00 C ATOM 1114 O LEU A 68 12.081 -4.274 -7.871 1.00 0.00 O ATOM 1115 CB LEU A 68 13.932 -5.691 -6.522 1.00 0.00 C ATOM 1116 CG LEU A 68 15.309 -5.076 -6.273 1.00 0.00 C ATOM 1117 CD1 LEU A 68 15.735 -5.340 -4.828 1.00 0.00 C ATOM 1118 CD2 LEU A 68 16.328 -5.708 -7.224 1.00 0.00 C ATOM 0 H LEU A 68 12.149 -6.910 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 68 13.318 -4.178 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.936 -6.743 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.692 -5.651 -7.585 1.00 0.00 H new ATOM 0 HG LEU A 68 15.262 -4.001 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.717 -4.901 -4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.010 -4.893 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.782 -6.415 -4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 68 17.311 -5.270 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 68 16.372 -6.783 -7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 68 16.028 -5.522 -8.255 1.00 0.00 H new ATOM 1130 N PHE A 69 10.905 -3.578 -6.152 1.00 0.00 N ATOM 1131 CA PHE A 69 9.942 -2.883 -7.050 1.00 0.00 C ATOM 1132 C PHE A 69 8.723 -2.415 -6.256 1.00 0.00 C ATOM 1133 O PHE A 69 8.840 -1.550 -5.426 1.00 0.00 O ATOM 1134 CB PHE A 69 9.557 -3.903 -8.124 1.00 0.00 C ATOM 1135 CG PHE A 69 9.470 -5.296 -7.533 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.974 -5.491 -6.235 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.897 -6.397 -8.287 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.904 -6.781 -5.698 1.00 0.00 C ATOM 1139 CE2 PHE A 69 9.829 -7.687 -7.748 1.00 0.00 C ATOM 1140 CZ PHE A 69 9.332 -7.879 -6.454 1.00 0.00 C ATOM 0 H PHE A 69 10.708 -3.499 -5.154 1.00 0.00 H new ATOM 0 HA PHE A 69 10.376 -1.992 -7.504 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.599 -3.629 -8.566 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.294 -3.889 -8.927 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.646 -4.645 -5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.279 -6.250 -9.286 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.520 -6.930 -4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.160 -8.534 -8.331 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.279 -8.874 -6.038 1.00 0.00 H new ATOM 1150 N ARG A 70 7.552 -2.956 -6.495 1.00 0.00 N ATOM 1151 CA ARG A 70 6.363 -2.475 -5.730 1.00 0.00 C ATOM 1152 C ARG A 70 5.599 -3.599 -5.055 1.00 0.00 C ATOM 1153 O ARG A 70 5.445 -4.685 -5.578 1.00 0.00 O ATOM 1154 CB ARG A 70 5.452 -1.824 -6.771 1.00 0.00 C ATOM 1155 CG ARG A 70 4.123 -1.393 -6.115 1.00 0.00 C ATOM 1156 CD ARG A 70 3.010 -1.420 -7.165 1.00 0.00 C ATOM 1157 NE ARG A 70 3.574 -0.697 -8.338 1.00 0.00 N ATOM 1158 CZ ARG A 70 3.317 -1.115 -9.548 1.00 0.00 C ATOM 1159 NH1 ARG A 70 2.182 -0.811 -10.116 1.00 0.00 N ATOM 1160 NH2 ARG A 70 4.195 -1.838 -10.189 1.00 0.00 N ATOM 0 H ARG A 70 7.371 -3.696 -7.174 1.00 0.00 H new ATOM 0 HA ARG A 70 6.684 -1.800 -4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.948 -0.958 -7.209 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.256 -2.524 -7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.877 -2.062 -5.290 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.219 -0.392 -5.695 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.737 -2.443 -7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.107 -0.933 -6.797 1.00 0.00 H new ATOM 0 HE ARG A 70 4.161 0.125 -8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.496 -0.247 -9.615 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.981 -1.137 -11.061 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.082 -2.076 -9.745 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.994 -2.165 -11.134 1.00 0.00 H new ATOM 1174 N ALA A 71 5.056 -3.294 -3.918 1.00 0.00 N ATOM 1175 CA ALA A 71 4.214 -4.268 -3.198 1.00 0.00 C ATOM 1176 C ALA A 71 2.776 -3.785 -3.357 1.00 0.00 C ATOM 1177 O ALA A 71 2.368 -2.830 -2.730 1.00 0.00 O ATOM 1178 CB ALA A 71 4.662 -4.199 -1.737 1.00 0.00 C ATOM 0 H ALA A 71 5.164 -2.394 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 71 4.293 -5.292 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.075 -4.900 -1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.718 -4.460 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.512 -3.188 -1.358 1.00 0.00 H new ATOM 1184 N ASP A 72 2.022 -4.393 -4.227 1.00 0.00 N ATOM 1185 CA ASP A 72 0.628 -3.920 -4.445 1.00 0.00 C ATOM 1186 C ASP A 72 -0.309 -4.542 -3.415 1.00 0.00 C ATOM 1187 O ASP A 72 -0.047 -5.602 -2.890 1.00 0.00 O ATOM 1188 CB ASP A 72 0.268 -4.395 -5.853 1.00 0.00 C ATOM 1189 CG ASP A 72 -1.212 -4.120 -6.122 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -2.031 -4.908 -5.680 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -1.502 -3.125 -6.765 1.00 0.00 O ATOM 0 H ASP A 72 2.308 -5.192 -4.793 1.00 0.00 H new ATOM 0 HA ASP A 72 0.537 -2.839 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.884 -3.880 -6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.475 -5.461 -5.953 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.404 -3.891 -3.136 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.384 -4.439 -2.154 1.00 0.00 C ATOM 1198 C ILE A 73 -3.764 -3.848 -2.443 1.00 0.00 C ATOM 1199 O ILE A 73 -3.894 -2.698 -2.815 1.00 0.00 O ATOM 1200 CB ILE A 73 -1.873 -4.030 -0.760 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -2.333 -5.070 0.266 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.425 -2.657 -0.358 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -3.859 -5.062 0.352 1.00 0.00 C ATOM 0 H ILE A 73 -1.665 -2.996 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.476 -5.523 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.785 -3.976 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.980 -6.060 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.902 -4.848 1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.050 -2.389 0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.103 -1.909 -1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.514 -2.695 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.186 -5.802 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.201 -4.074 0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.280 -5.304 -0.624 1.00 0.00 H new ATOM 1215 N SER A 74 -4.792 -4.625 -2.290 1.00 0.00 N ATOM 1216 CA SER A 74 -6.154 -4.101 -2.571 1.00 0.00 C ATOM 1217 C SER A 74 -7.070 -4.384 -1.372 1.00 0.00 C ATOM 1218 O SER A 74 -6.793 -5.257 -0.573 1.00 0.00 O ATOM 1219 CB SER A 74 -6.615 -4.889 -3.797 1.00 0.00 C ATOM 1220 OG SER A 74 -7.503 -4.089 -4.565 1.00 0.00 O ATOM 0 H SER A 74 -4.751 -5.597 -1.984 1.00 0.00 H new ATOM 0 HA SER A 74 -6.173 -3.025 -2.743 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.755 -5.180 -4.401 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.112 -5.808 -3.487 1.00 0.00 H new ATOM 0 HG SER A 74 -7.673 -4.524 -5.427 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.158 -3.669 -1.230 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.056 -3.942 -0.067 1.00 0.00 C ATOM 1228 C GLU A 75 -10.411 -3.242 -0.214 1.00 0.00 C ATOM 1229 O GLU A 75 -10.533 -2.048 -0.032 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.303 -3.399 1.149 1.00 0.00 C ATOM 1231 CG GLU A 75 -8.174 -4.500 2.203 1.00 0.00 C ATOM 1232 CD GLU A 75 -9.290 -4.351 3.238 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -10.148 -3.509 3.036 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -9.267 -5.082 4.214 1.00 0.00 O ATOM 0 H GLU A 75 -8.459 -2.922 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.279 -5.006 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.315 -3.048 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.833 -2.542 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.232 -5.480 1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.201 -4.439 2.691 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.430 -3.992 -0.534 1.00 0.00 N ATOM 1242 CA ASP A 76 -12.794 -3.403 -0.690 1.00 0.00 C ATOM 1243 C ASP A 76 -13.199 -2.657 0.580 1.00 0.00 C ATOM 1244 O ASP A 76 -12.380 -2.383 1.435 1.00 0.00 O ATOM 1245 CB ASP A 76 -13.710 -4.606 -0.907 1.00 0.00 C ATOM 1246 CG ASP A 76 -13.690 -5.496 0.338 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -12.950 -5.181 1.255 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -14.416 -6.476 0.352 1.00 0.00 O ATOM 0 H ASP A 76 -11.377 -4.998 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.844 -2.687 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.727 -4.270 -1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.382 -5.174 -1.778 1.00 0.00 H new ATOM 1253 N TYR A 77 -14.458 -2.328 0.720 1.00 0.00 N ATOM 1254 CA TYR A 77 -14.884 -1.605 1.954 1.00 0.00 C ATOM 1255 C TYR A 77 -16.394 -1.736 2.157 1.00 0.00 C ATOM 1256 O TYR A 77 -16.855 -2.153 3.202 1.00 0.00 O ATOM 1257 CB TYR A 77 -14.491 -0.147 1.723 1.00 0.00 C ATOM 1258 CG TYR A 77 -13.855 0.405 2.976 1.00 0.00 C ATOM 1259 CD1 TYR A 77 -14.223 -0.098 4.230 1.00 0.00 C ATOM 1260 CD2 TYR A 77 -12.894 1.420 2.884 1.00 0.00 C ATOM 1261 CE1 TYR A 77 -13.631 0.413 5.391 1.00 0.00 C ATOM 1262 CE2 TYR A 77 -12.303 1.931 4.046 1.00 0.00 C ATOM 1263 CZ TYR A 77 -12.671 1.428 5.299 1.00 0.00 C ATOM 1264 OH TYR A 77 -12.087 1.930 6.444 1.00 0.00 O ATOM 0 H TYR A 77 -15.197 -2.525 0.046 1.00 0.00 H new ATOM 0 HA TYR A 77 -14.413 -2.012 2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -13.796 -0.074 0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -15.370 0.441 1.459 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.964 -0.881 4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -12.609 1.808 1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.915 0.024 6.358 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.563 2.714 3.975 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.442 2.627 6.203 1.00 0.00 H new ATOM 1274 N LYS A 78 -17.168 -1.397 1.167 1.00 0.00 N ATOM 1275 CA LYS A 78 -18.645 -1.521 1.310 1.00 0.00 C ATOM 1276 C LYS A 78 -19.215 -2.155 0.054 1.00 0.00 C ATOM 1277 O LYS A 78 -20.085 -3.001 0.110 1.00 0.00 O ATOM 1278 CB LYS A 78 -19.171 -0.098 1.486 1.00 0.00 C ATOM 1279 CG LYS A 78 -20.419 -0.121 2.371 1.00 0.00 C ATOM 1280 CD LYS A 78 -20.020 -0.453 3.811 1.00 0.00 C ATOM 1281 CE LYS A 78 -21.168 -1.190 4.502 1.00 0.00 C ATOM 1282 NZ LYS A 78 -22.380 -0.374 4.208 1.00 0.00 N ATOM 0 H LYS A 78 -16.845 -1.041 0.268 1.00 0.00 H new ATOM 0 HA LYS A 78 -18.930 -2.146 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -18.404 0.531 1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -19.409 0.336 0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -20.920 0.846 2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -21.127 -0.861 1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -19.122 -1.070 3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -19.782 0.462 4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -21.273 -2.205 4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -20.997 -1.270 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -23.075 -0.496 4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.115 0.629 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -22.798 -0.685 3.308 1.00 0.00 H new ATOM 1296 N THR A 79 -18.705 -1.781 -1.078 1.00 0.00 N ATOM 1297 CA THR A 79 -19.193 -2.398 -2.328 1.00 0.00 C ATOM 1298 C THR A 79 -18.569 -3.781 -2.423 1.00 0.00 C ATOM 1299 O THR A 79 -19.256 -4.780 -2.401 1.00 0.00 O ATOM 1300 CB THR A 79 -18.696 -1.491 -3.458 1.00 0.00 C ATOM 1301 OG1 THR A 79 -17.752 -0.562 -2.941 1.00 0.00 O ATOM 1302 CG2 THR A 79 -19.878 -0.736 -4.065 1.00 0.00 C ATOM 0 H THR A 79 -17.975 -1.078 -1.190 1.00 0.00 H new ATOM 0 HA THR A 79 -20.277 -2.500 -2.375 1.00 0.00 H new ATOM 0 HB THR A 79 -18.221 -2.099 -4.228 1.00 0.00 H new ATOM 0 HG1 THR A 79 -16.946 -0.570 -3.498 1.00 0.00 H new ATOM 0 HG21 THR A 79 -19.524 -0.091 -4.869 1.00 0.00 H new ATOM 0 HG22 THR A 79 -20.599 -1.449 -4.464 1.00 0.00 H new ATOM 0 HG23 THR A 79 -20.355 -0.129 -3.296 1.00 0.00 H new ATOM 1310 N ARG A 80 -17.258 -3.821 -2.488 1.00 0.00 N ATOM 1311 CA ARG A 80 -16.497 -5.119 -2.547 1.00 0.00 C ATOM 1312 C ARG A 80 -15.155 -4.961 -3.280 1.00 0.00 C ATOM 1313 O ARG A 80 -14.656 -5.916 -3.836 1.00 0.00 O ATOM 1314 CB ARG A 80 -17.363 -6.149 -3.301 1.00 0.00 C ATOM 1315 CG ARG A 80 -17.937 -5.564 -4.610 1.00 0.00 C ATOM 1316 CD ARG A 80 -16.808 -5.218 -5.584 1.00 0.00 C ATOM 1317 NE ARG A 80 -16.535 -3.768 -5.371 1.00 0.00 N ATOM 1318 CZ ARG A 80 -16.428 -2.969 -6.397 1.00 0.00 C ATOM 1319 NH1 ARG A 80 -16.083 -3.446 -7.561 1.00 0.00 N ATOM 1320 NH2 ARG A 80 -16.669 -1.693 -6.258 1.00 0.00 N ATOM 0 H ARG A 80 -16.667 -2.990 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 80 -16.284 -5.445 -1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.764 -7.031 -3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -18.181 -6.476 -2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -18.614 -6.283 -5.070 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -18.522 -4.671 -4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.920 -5.819 -5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -17.103 -5.415 -6.615 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.432 -3.401 -4.425 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.897 -4.443 -7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.999 -2.822 -8.363 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.941 -1.321 -5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.585 -1.068 -7.060 1.00 0.00 H new ATOM 1334 N GLY A 81 -14.571 -3.781 -3.271 1.00 0.00 N ATOM 1335 CA GLY A 81 -13.253 -3.553 -3.961 1.00 0.00 C ATOM 1336 C GLY A 81 -12.499 -4.872 -4.164 1.00 0.00 C ATOM 1337 O GLY A 81 -12.737 -5.590 -5.115 1.00 0.00 O ATOM 0 H GLY A 81 -14.956 -2.957 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.422 -3.076 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.643 -2.870 -3.370 1.00 0.00 H new ATOM 1341 N ARG A 82 -11.592 -5.201 -3.285 1.00 0.00 N ATOM 1342 CA ARG A 82 -10.838 -6.472 -3.447 1.00 0.00 C ATOM 1343 C ARG A 82 -10.111 -6.841 -2.152 1.00 0.00 C ATOM 1344 O ARG A 82 -10.375 -6.303 -1.097 1.00 0.00 O ATOM 1345 CB ARG A 82 -9.828 -6.182 -4.552 1.00 0.00 C ATOM 1346 CG ARG A 82 -10.217 -6.951 -5.816 1.00 0.00 C ATOM 1347 CD ARG A 82 -8.974 -7.173 -6.682 1.00 0.00 C ATOM 1348 NE ARG A 82 -9.445 -6.998 -8.084 1.00 0.00 N ATOM 1349 CZ ARG A 82 -8.825 -6.173 -8.882 1.00 0.00 C ATOM 1350 NH1 ARG A 82 -8.350 -5.050 -8.420 1.00 0.00 N ATOM 1351 NH2 ARG A 82 -8.681 -6.472 -10.145 1.00 0.00 N ATOM 0 H ARG A 82 -11.343 -4.646 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.494 -7.309 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -9.798 -5.112 -4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.828 -6.473 -4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -10.663 -7.909 -5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -10.969 -6.395 -6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.189 -6.457 -6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.557 -8.168 -6.527 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.252 -7.523 -8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.463 -4.816 -7.434 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.865 -4.406 -9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.053 -7.350 -10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.196 -5.827 -10.770 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.190 -7.756 -2.244 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.413 -8.187 -1.048 1.00 0.00 C ATOM 1367 C LYS A 83 -7.211 -9.005 -1.518 1.00 0.00 C ATOM 1368 O LYS A 83 -7.287 -10.209 -1.660 1.00 0.00 O ATOM 1369 CB LYS A 83 -9.373 -9.053 -0.231 1.00 0.00 C ATOM 1370 CG LYS A 83 -9.885 -8.256 0.970 1.00 0.00 C ATOM 1371 CD LYS A 83 -10.620 -9.194 1.930 1.00 0.00 C ATOM 1372 CE LYS A 83 -9.900 -9.211 3.280 1.00 0.00 C ATOM 1373 NZ LYS A 83 -10.611 -8.198 4.108 1.00 0.00 N ATOM 0 H LYS A 83 -8.938 -8.232 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.040 -7.352 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.210 -9.372 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.865 -9.956 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.052 -7.774 1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.554 -7.464 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.651 -8.864 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.658 -10.201 1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.945 -10.199 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.845 -8.960 3.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.174 -8.151 5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.545 -7.267 3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.611 -8.467 4.203 1.00 0.00 H new ATOM 1387 N LEU A 84 -6.111 -8.360 -1.791 1.00 0.00 N ATOM 1388 CA LEU A 84 -4.924 -9.103 -2.283 1.00 0.00 C ATOM 1389 C LEU A 84 -3.707 -8.179 -2.323 1.00 0.00 C ATOM 1390 O LEU A 84 -3.727 -7.089 -1.790 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.312 -9.541 -3.696 1.00 0.00 C ATOM 1392 CG LEU A 84 -4.487 -10.760 -4.093 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -5.405 -11.974 -4.238 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -3.784 -10.488 -5.424 1.00 0.00 C ATOM 0 H LEU A 84 -5.985 -7.352 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.659 -9.947 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.375 -9.779 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.141 -8.727 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.742 -10.960 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.814 -12.845 -4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.904 -12.168 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.152 -11.776 -5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.194 -11.359 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.529 -10.287 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.128 -9.624 -5.319 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.649 -8.604 -2.957 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.440 -7.746 -3.034 1.00 0.00 C ATOM 1408 C LEU A 85 -0.429 -8.362 -4.014 1.00 0.00 C ATOM 1409 O LEU A 85 -0.621 -9.459 -4.500 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.928 -7.685 -1.583 1.00 0.00 C ATOM 1411 CG LEU A 85 0.384 -8.454 -1.416 1.00 0.00 C ATOM 1412 CD1 LEU A 85 1.044 -8.023 -0.107 1.00 0.00 C ATOM 1413 CD2 LEU A 85 0.088 -9.955 -1.377 1.00 0.00 C ATOM 0 H LEU A 85 -2.572 -9.508 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.628 -6.742 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.780 -6.645 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.681 -8.100 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 85 1.052 -8.242 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.981 -8.565 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.245 -6.952 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.378 -8.245 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.020 -10.507 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.573 -10.174 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.395 -10.255 -2.307 1.00 0.00 H new ATOM 1425 N ARG A 86 0.634 -7.666 -4.325 1.00 0.00 N ATOM 1426 CA ARG A 86 1.626 -8.231 -5.292 1.00 0.00 C ATOM 1427 C ARG A 86 3.046 -7.752 -4.974 1.00 0.00 C ATOM 1428 O ARG A 86 3.269 -6.985 -4.060 1.00 0.00 O ATOM 1429 CB ARG A 86 1.195 -7.707 -6.668 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.332 -7.641 -6.755 1.00 0.00 C ATOM 1431 CD ARG A 86 -0.746 -7.216 -8.165 1.00 0.00 C ATOM 1432 NE ARG A 86 -0.899 -8.489 -8.921 1.00 0.00 N ATOM 1433 CZ ARG A 86 -1.176 -8.463 -10.195 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -1.584 -7.354 -10.752 1.00 0.00 N ATOM 1435 NH2 ARG A 86 -1.046 -9.544 -10.915 1.00 0.00 N ATOM 0 H ARG A 86 0.858 -6.741 -3.957 1.00 0.00 H new ATOM 0 HA ARG A 86 1.644 -9.320 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.619 -6.717 -6.837 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.583 -8.358 -7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.763 -8.613 -6.516 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.718 -6.932 -6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.678 -6.652 -8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.008 -6.574 -8.621 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.787 -9.383 -8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.686 -6.509 -10.190 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.801 -7.333 -11.749 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.727 -10.410 -10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.263 -9.522 -11.911 1.00 0.00 H new ATOM 1449 N PHE A 87 4.003 -8.207 -5.740 1.00 0.00 N ATOM 1450 CA PHE A 87 5.425 -7.797 -5.526 1.00 0.00 C ATOM 1451 C PHE A 87 6.193 -7.945 -6.841 1.00 0.00 C ATOM 1452 O PHE A 87 6.884 -8.923 -7.050 1.00 0.00 O ATOM 1453 CB PHE A 87 5.993 -8.772 -4.485 1.00 0.00 C ATOM 1454 CG PHE A 87 4.961 -9.067 -3.425 1.00 0.00 C ATOM 1455 CD1 PHE A 87 4.021 -10.084 -3.631 1.00 0.00 C ATOM 1456 CD2 PHE A 87 4.943 -8.326 -2.237 1.00 0.00 C ATOM 1457 CE1 PHE A 87 3.063 -10.360 -2.651 1.00 0.00 C ATOM 1458 CE2 PHE A 87 3.982 -8.603 -1.258 1.00 0.00 C ATOM 1459 CZ PHE A 87 3.046 -9.618 -1.467 1.00 0.00 C ATOM 0 H PHE A 87 3.859 -8.854 -6.515 1.00 0.00 H new ATOM 0 HA PHE A 87 5.506 -6.763 -5.192 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.298 -9.698 -4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.884 -8.345 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.036 -10.655 -4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.669 -7.543 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.338 -11.145 -2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.964 -8.032 -0.341 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.306 -9.831 -0.710 1.00 0.00 H new ATOM 1469 N ASN A 88 6.088 -6.997 -7.735 1.00 0.00 N ATOM 1470 CA ASN A 88 6.833 -7.136 -9.022 1.00 0.00 C ATOM 1471 C ASN A 88 7.091 -5.780 -9.657 1.00 0.00 C ATOM 1472 O ASN A 88 7.028 -4.760 -9.009 1.00 0.00 O ATOM 1473 CB ASN A 88 5.983 -7.996 -9.959 1.00 0.00 C ATOM 1474 CG ASN A 88 4.530 -8.074 -9.475 1.00 0.00 C ATOM 1475 OD1 ASN A 88 4.140 -9.033 -8.837 1.00 0.00 O ATOM 1476 ND2 ASN A 88 3.708 -7.099 -9.753 1.00 0.00 N ATOM 0 H ASN A 88 5.531 -6.149 -7.635 1.00 0.00 H new ATOM 0 HA ASN A 88 7.802 -7.600 -8.837 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.012 -7.579 -10.966 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.404 -9.000 -10.018 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.740 -7.142 -9.435 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.034 -6.294 -10.288 1.00 0.00 H new ATOM 1483 N GLY A 89 7.425 -5.769 -10.919 1.00 0.00 N ATOM 1484 CA GLY A 89 7.749 -4.485 -11.581 1.00 0.00 C ATOM 1485 C GLY A 89 9.160 -4.149 -11.129 1.00 0.00 C ATOM 1486 O GLY A 89 9.413 -3.095 -10.580 1.00 0.00 O ATOM 0 H GLY A 89 7.486 -6.595 -11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.694 -4.576 -12.666 1.00 0.00 H new ATOM 0 HA3 GLY A 89 7.046 -3.704 -11.291 1.00 0.00 H new ATOM 1490 N PRO A 90 10.023 -5.111 -11.334 1.00 0.00 N ATOM 1491 CA PRO A 90 11.430 -4.994 -10.893 1.00 0.00 C ATOM 1492 C PRO A 90 12.139 -3.820 -11.570 1.00 0.00 C ATOM 1493 O PRO A 90 12.261 -3.759 -12.776 1.00 0.00 O ATOM 1494 CB PRO A 90 12.045 -6.338 -11.288 1.00 0.00 C ATOM 1495 CG PRO A 90 11.164 -6.841 -12.379 1.00 0.00 C ATOM 1496 CD PRO A 90 9.777 -6.385 -12.017 1.00 0.00 C ATOM 0 HA PRO A 90 11.522 -4.791 -9.826 1.00 0.00 H new ATOM 0 HB2 PRO A 90 13.073 -6.220 -11.630 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.067 -7.028 -10.445 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.469 -6.441 -13.346 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.213 -7.927 -12.454 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.150 -6.257 -12.899 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.272 -7.101 -11.369 1.00 0.00 H new ATOM 1504 N VAL A 91 12.608 -2.886 -10.787 1.00 0.00 N ATOM 1505 CA VAL A 91 13.315 -1.706 -11.361 1.00 0.00 C ATOM 1506 C VAL A 91 14.670 -2.128 -11.934 1.00 0.00 C ATOM 1507 O VAL A 91 15.270 -3.034 -11.381 1.00 0.00 O ATOM 1508 CB VAL A 91 13.503 -0.751 -10.181 1.00 0.00 C ATOM 1509 CG1 VAL A 91 14.107 -1.507 -8.995 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.445 0.383 -10.590 1.00 0.00 C ATOM 0 H VAL A 91 12.531 -2.890 -9.770 1.00 0.00 H new ATOM 0 HA VAL A 91 12.758 -1.244 -12.176 1.00 0.00 H new ATOM 0 HB VAL A 91 12.535 -0.340 -9.893 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.239 -0.823 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.439 -2.316 -8.701 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.074 -1.921 -9.282 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.580 1.065 -9.750 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.410 -0.032 -10.879 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.017 0.926 -11.433 1.00 0.00 H new TER 1520 VAL A 91