USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 470 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 13 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 21 GLN : amide:sc= -0.0344 K(o=-0.034,f=-1.9!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0.111 K(o=0.11,f=-2!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= -0.118 (180deg=-0.697) USER MOD Single : A 14 ASN : amide:sc= -0.301 K(o=-0.3,f=-1.5!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1.9!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 30 SER OG : rot -46:sc= 0.472 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.672 K(o=-0.67,f=-5.9!) USER MOD Single : A 33 ASN : amide:sc=-0.00235 X(o=-0.0023,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -43:sc= 0.336 USER MOD Single : A 42 ASN : amide:sc= -0.815 K(o=-0.81,f=-5.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.687 K(o=-0.69,f=-5.7!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 48 TYR OH : rot -15:sc= -1.16 USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= -0.198 (180deg=-1) USER MOD Single : A 52 ASN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc=-0.00523 (180deg=-0.173) USER MOD Single : A 63 ASN : amide:sc= -5.33 K(o=-5.3,f=-8.1!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 1.216 -0.103 1.866 1.00 0.00 N ATOM 32 CA ILE A 3 2.021 0.757 1.007 1.00 0.00 C ATOM 33 C ILE A 3 3.036 1.540 1.834 1.00 0.00 C ATOM 34 O ILE A 3 2.737 1.985 2.942 1.00 0.00 O ATOM 35 CB ILE A 3 1.116 1.730 0.249 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.950 2.530 -0.757 1.00 0.00 C ATOM 37 CG2 ILE A 3 0.457 2.691 1.239 1.00 0.00 C ATOM 38 CD1 ILE A 3 2.421 1.607 -1.884 1.00 0.00 C ATOM 0 HA ILE A 3 2.557 0.130 0.294 1.00 0.00 H new ATOM 0 HB ILE A 3 0.347 1.169 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.357 3.348 -1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.809 2.978 -0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.188 3.384 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.139 2.124 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.227 3.251 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.014 2.178 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.029 0.805 -1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.555 1.180 -2.390 1.00 0.00 H new ATOM 50 N GLU A 4 4.237 1.705 1.288 1.00 0.00 N ATOM 51 CA GLU A 4 5.289 2.436 1.985 1.00 0.00 C ATOM 52 C GLU A 4 4.782 3.803 2.436 1.00 0.00 C ATOM 53 O GLU A 4 3.846 4.351 1.855 1.00 0.00 O ATOM 54 CB GLU A 4 6.498 2.616 1.064 1.00 0.00 C ATOM 55 CG GLU A 4 6.107 3.490 -0.129 1.00 0.00 C ATOM 56 CD GLU A 4 7.285 3.619 -1.088 1.00 0.00 C ATOM 57 OE1 GLU A 4 8.329 3.060 -0.793 1.00 0.00 O ATOM 58 OE2 GLU A 4 7.127 4.275 -2.105 1.00 0.00 O ATOM 0 H GLU A 4 4.505 1.345 0.372 1.00 0.00 H new ATOM 0 HA GLU A 4 5.584 1.862 2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.320 3.077 1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.851 1.645 0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.253 3.053 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.800 4.477 0.218 1.00 0.00 H new ATOM 65 N SER A 5 5.407 4.346 3.475 1.00 0.00 N ATOM 66 CA SER A 5 5.011 5.649 3.997 1.00 0.00 C ATOM 67 C SER A 5 5.402 6.759 3.026 1.00 0.00 C ATOM 68 O SER A 5 6.257 6.567 2.161 1.00 0.00 O ATOM 69 CB SER A 5 5.679 5.895 5.350 1.00 0.00 C ATOM 70 OG SER A 5 7.076 6.071 5.159 1.00 0.00 O ATOM 0 H SER A 5 6.184 3.908 3.969 1.00 0.00 H new ATOM 0 HA SER A 5 3.928 5.655 4.120 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.251 6.778 5.825 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.495 5.053 6.018 1.00 0.00 H new ATOM 0 HG SER A 5 7.507 6.231 6.025 1.00 0.00 H new ATOM 76 N HIS A 6 4.772 7.919 3.177 1.00 0.00 N ATOM 77 CA HIS A 6 5.061 9.055 2.309 1.00 0.00 C ATOM 78 C HIS A 6 5.714 10.183 3.103 1.00 0.00 C ATOM 79 O HIS A 6 5.461 11.361 2.849 1.00 0.00 O ATOM 80 CB HIS A 6 3.770 9.562 1.665 1.00 0.00 C ATOM 81 CG HIS A 6 2.736 9.796 2.732 1.00 0.00 C ATOM 82 ND1 HIS A 6 2.005 8.760 3.292 1.00 0.00 N ATOM 83 CD2 HIS A 6 2.299 10.940 3.352 1.00 0.00 C ATOM 84 CE1 HIS A 6 1.175 9.296 4.205 1.00 0.00 C ATOM 85 NE2 HIS A 6 1.314 10.623 4.282 1.00 0.00 N ATOM 0 H HIS A 6 4.062 8.097 3.888 1.00 0.00 H new ATOM 0 HA HIS A 6 5.750 8.728 1.530 1.00 0.00 H new ATOM 0 HB2 HIS A 6 3.961 10.486 1.120 1.00 0.00 H new ATOM 0 HB3 HIS A 6 3.403 8.835 0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.665 11.936 3.149 1.00 0.00 H new ATOM 0 HE1 HIS A 6 0.481 8.724 4.803 1.00 0.00 H new ATOM 0 HE2 HIS A 6 0.807 11.265 4.891 1.00 0.00 H new ATOM 94 N GLN A 7 6.552 9.813 4.066 1.00 0.00 N ATOM 95 CA GLN A 7 7.235 10.801 4.894 1.00 0.00 C ATOM 96 C GLN A 7 8.132 11.691 4.038 1.00 0.00 C ATOM 97 O GLN A 7 8.815 11.212 3.132 1.00 0.00 O ATOM 98 CB GLN A 7 8.077 10.094 5.958 1.00 0.00 C ATOM 99 CG GLN A 7 8.530 11.107 7.011 1.00 0.00 C ATOM 100 CD GLN A 7 9.345 10.406 8.092 1.00 0.00 C ATOM 101 OE1 GLN A 7 10.456 9.943 7.832 1.00 0.00 O ATOM 102 NE2 GLN A 7 8.858 10.299 9.298 1.00 0.00 N ATOM 0 H GLN A 7 6.774 8.843 4.291 1.00 0.00 H new ATOM 0 HA GLN A 7 6.484 11.424 5.379 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.496 9.301 6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.944 9.622 5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.128 11.888 6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.662 11.594 7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.938 10.683 9.512 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.398 9.832 10.026 1.00 0.00 H new ATOM 111 N VAL A 8 8.123 12.988 4.329 1.00 0.00 N ATOM 112 CA VAL A 8 8.939 13.936 3.577 1.00 0.00 C ATOM 113 C VAL A 8 9.628 14.920 4.519 1.00 0.00 C ATOM 114 O VAL A 8 9.091 15.266 5.572 1.00 0.00 O ATOM 115 CB VAL A 8 8.063 14.705 2.586 1.00 0.00 C ATOM 116 CG1 VAL A 8 7.019 15.520 3.351 1.00 0.00 C ATOM 117 CG2 VAL A 8 8.939 15.649 1.758 1.00 0.00 C ATOM 0 H VAL A 8 7.565 13.405 5.074 1.00 0.00 H new ATOM 0 HA VAL A 8 9.702 13.378 3.034 1.00 0.00 H new ATOM 0 HB VAL A 8 7.559 14.000 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.395 16.067 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.395 14.849 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.522 16.225 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.316 16.197 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.442 16.353 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.683 15.069 1.212 1.00 0.00 H new ATOM 127 N GLU A 9 10.819 15.366 4.133 1.00 0.00 N ATOM 128 CA GLU A 9 11.573 16.310 4.950 1.00 0.00 C ATOM 129 C GLU A 9 12.048 17.489 4.106 1.00 0.00 C ATOM 130 O GLU A 9 11.812 17.536 2.899 1.00 0.00 O ATOM 131 CB GLU A 9 12.780 15.614 5.587 1.00 0.00 C ATOM 132 CG GLU A 9 13.301 14.515 4.655 1.00 0.00 C ATOM 133 CD GLU A 9 13.579 15.089 3.270 1.00 0.00 C ATOM 134 OE1 GLU A 9 14.238 16.113 3.195 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.131 14.494 2.303 1.00 0.00 O ATOM 0 H GLU A 9 11.280 15.091 3.266 1.00 0.00 H new ATOM 0 HA GLU A 9 10.916 16.681 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.568 16.341 5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.497 15.184 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.212 14.081 5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.569 13.711 4.583 1.00 0.00 H new ATOM 142 N LYS A 10 12.715 18.442 4.750 1.00 0.00 N ATOM 143 CA LYS A 10 13.216 19.619 4.048 1.00 0.00 C ATOM 144 C LYS A 10 14.680 19.872 4.398 1.00 0.00 C ATOM 145 O LYS A 10 15.205 19.308 5.358 1.00 0.00 O ATOM 146 CB LYS A 10 12.381 20.846 4.420 1.00 0.00 C ATOM 147 CG LYS A 10 12.073 20.824 5.920 1.00 0.00 C ATOM 148 CD LYS A 10 10.674 20.245 6.145 1.00 0.00 C ATOM 149 CE LYS A 10 10.350 20.256 7.640 1.00 0.00 C ATOM 150 NZ LYS A 10 8.985 19.700 7.856 1.00 0.00 N ATOM 0 H LYS A 10 12.920 18.423 5.749 1.00 0.00 H new ATOM 0 HA LYS A 10 13.137 19.438 2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.921 21.757 4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.453 20.854 3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.816 20.224 6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 10 12.131 21.833 6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.935 20.830 5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.624 19.227 5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.085 19.666 8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.406 21.273 8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.764 19.707 8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.289 20.281 7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.948 18.723 7.501 1.00 0.00 H new ATOM 164 N ARG A 11 15.330 20.723 3.611 1.00 0.00 N ATOM 165 CA ARG A 11 16.734 21.047 3.841 1.00 0.00 C ATOM 166 C ARG A 11 16.893 22.527 4.180 1.00 0.00 C ATOM 167 O ARG A 11 17.525 23.282 3.443 1.00 0.00 O ATOM 168 CB ARG A 11 17.606 20.691 2.617 1.00 0.00 C ATOM 169 CG ARG A 11 16.830 20.823 1.290 1.00 0.00 C ATOM 170 CD ARG A 11 16.692 22.299 0.904 1.00 0.00 C ATOM 171 NE ARG A 11 15.526 22.893 1.553 1.00 0.00 N ATOM 172 CZ ARG A 11 14.292 22.729 1.071 1.00 0.00 C ATOM 173 NH1 ARG A 11 14.081 22.016 -0.008 1.00 0.00 N ATOM 174 NH2 ARG A 11 13.282 23.284 1.683 1.00 0.00 N ATOM 0 H ARG A 11 14.910 21.199 2.812 1.00 0.00 H new ATOM 0 HA ARG A 11 17.074 20.448 4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 11 18.478 21.344 2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 11 17.975 19.670 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 11 17.350 20.280 0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.843 20.372 1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.592 22.842 1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.599 22.390 -0.178 1.00 0.00 H new ATOM 0 HE ARG A 11 15.658 23.449 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.865 21.578 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.133 21.899 -0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.438 23.839 2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.337 23.163 1.320 1.00 0.00 H new ATOM 188 N LYS A 12 16.314 22.932 5.305 1.00 0.00 N ATOM 189 CA LYS A 12 16.393 24.322 5.742 1.00 0.00 C ATOM 190 C LYS A 12 17.832 24.829 5.686 1.00 0.00 C ATOM 191 O LYS A 12 18.776 24.042 5.612 1.00 0.00 O ATOM 192 CB LYS A 12 15.859 24.449 7.171 1.00 0.00 C ATOM 193 CG LYS A 12 16.937 24.003 8.162 1.00 0.00 C ATOM 194 CD LYS A 12 16.314 23.822 9.548 1.00 0.00 C ATOM 195 CE LYS A 12 15.620 22.461 9.625 1.00 0.00 C ATOM 196 NZ LYS A 12 16.644 21.378 9.583 1.00 0.00 N ATOM 0 H LYS A 12 15.787 22.321 5.929 1.00 0.00 H new ATOM 0 HA LYS A 12 15.785 24.927 5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.570 25.481 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.964 23.838 7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 12 17.387 23.068 7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.736 24.744 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.084 23.893 10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.596 24.619 9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.037 22.390 10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.922 22.349 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.286 20.542 10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.843 21.127 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.518 21.709 10.039 1.00 0.00 H new ATOM 210 N CYS A 13 17.989 26.149 5.724 1.00 0.00 N ATOM 211 CA CYS A 13 19.314 26.759 5.680 1.00 0.00 C ATOM 212 C CYS A 13 19.735 27.216 7.076 1.00 0.00 C ATOM 213 O CYS A 13 19.806 28.412 7.358 1.00 0.00 O ATOM 214 CB CYS A 13 19.298 27.952 4.718 1.00 0.00 C ATOM 215 SG CYS A 13 20.930 28.140 3.959 1.00 0.00 S ATOM 0 H CYS A 13 17.218 26.815 5.785 1.00 0.00 H new ATOM 0 HA CYS A 13 20.034 26.021 5.326 1.00 0.00 H new ATOM 0 HB2 CYS A 13 18.542 27.801 3.947 1.00 0.00 H new ATOM 0 HB3 CYS A 13 19.028 28.862 5.255 1.00 0.00 H new ATOM 0 HG CYS A 13 20.915 29.151 3.142 1.00 0.00 H new ATOM 220 N ASN A 14 20.008 26.251 7.951 1.00 0.00 N ATOM 221 CA ASN A 14 20.414 26.564 9.319 1.00 0.00 C ATOM 222 C ASN A 14 21.803 26.008 9.617 1.00 0.00 C ATOM 223 O ASN A 14 22.107 25.655 10.756 1.00 0.00 O ATOM 224 CB ASN A 14 19.406 25.979 10.312 1.00 0.00 C ATOM 225 CG ASN A 14 19.536 26.681 11.659 1.00 0.00 C ATOM 226 OD1 ASN A 14 19.773 27.888 11.710 1.00 0.00 O ATOM 227 ND2 ASN A 14 19.395 25.994 12.760 1.00 0.00 N ATOM 0 H ASN A 14 19.956 25.254 7.740 1.00 0.00 H new ATOM 0 HA ASN A 14 20.443 27.649 9.423 1.00 0.00 H new ATOM 0 HB2 ASN A 14 18.393 26.097 9.927 1.00 0.00 H new ATOM 0 HB3 ASN A 14 19.579 24.909 10.431 1.00 0.00 H new ATOM 0 HD21 ASN A 14 19.481 26.457 13.665 1.00 0.00 H new ATOM 0 HD22 ASN A 14 19.199 24.994 12.716 1.00 0.00 H new ATOM 234 N THR A 15 22.644 25.935 8.590 1.00 0.00 N ATOM 235 CA THR A 15 23.999 25.422 8.764 1.00 0.00 C ATOM 236 C THR A 15 25.010 26.566 8.754 1.00 0.00 C ATOM 237 O THR A 15 24.658 27.714 8.480 1.00 0.00 O ATOM 238 CB THR A 15 24.331 24.426 7.648 1.00 0.00 C ATOM 239 OG1 THR A 15 25.555 23.772 7.951 1.00 0.00 O ATOM 240 CG2 THR A 15 24.462 25.164 6.314 1.00 0.00 C ATOM 0 H THR A 15 22.415 26.221 7.638 1.00 0.00 H new ATOM 0 HA THR A 15 24.055 24.914 9.727 1.00 0.00 H new ATOM 0 HB THR A 15 23.531 23.690 7.571 1.00 0.00 H new ATOM 0 HG1 THR A 15 25.769 23.133 7.240 1.00 0.00 H new ATOM 0 HG21 THR A 15 24.698 24.450 5.525 1.00 0.00 H new ATOM 0 HG22 THR A 15 23.522 25.664 6.081 1.00 0.00 H new ATOM 0 HG23 THR A 15 25.259 25.904 6.384 1.00 0.00 H new ATOM 306 N GLN A 21 26.549 32.931 3.413 1.00 0.00 N ATOM 307 CA GLN A 21 25.690 33.579 2.429 1.00 0.00 C ATOM 308 C GLN A 21 25.275 34.971 2.901 1.00 0.00 C ATOM 309 O GLN A 21 25.028 35.860 2.086 1.00 0.00 O ATOM 310 CB GLN A 21 24.449 32.717 2.162 1.00 0.00 C ATOM 311 CG GLN A 21 23.248 33.254 2.947 1.00 0.00 C ATOM 312 CD GLN A 21 22.106 32.245 2.902 1.00 0.00 C ATOM 313 OE1 GLN A 21 22.275 31.137 2.392 1.00 0.00 O ATOM 314 NE2 GLN A 21 20.946 32.563 3.408 1.00 0.00 N ATOM 0 HA GLN A 21 26.253 33.688 1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.223 32.714 1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.647 31.684 2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 21 23.535 33.446 3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 21 22.922 34.205 2.525 1.00 0.00 H new ATOM 0 HE21 GLN A 21 20.808 33.481 3.830 1.00 0.00 H new ATOM 0 HE22 GLN A 21 20.177 31.893 3.382 1.00 0.00 H new ATOM 323 N ARG A 22 25.199 35.162 4.217 1.00 0.00 N ATOM 324 CA ARG A 22 24.811 36.462 4.753 1.00 0.00 C ATOM 325 C ARG A 22 25.973 37.448 4.647 1.00 0.00 C ATOM 326 O ARG A 22 25.767 38.659 4.561 1.00 0.00 O ATOM 327 CB ARG A 22 24.319 36.322 6.208 1.00 0.00 C ATOM 328 CG ARG A 22 25.453 36.560 7.219 1.00 0.00 C ATOM 329 CD ARG A 22 25.508 38.043 7.594 1.00 0.00 C ATOM 330 NE ARG A 22 24.699 38.293 8.784 1.00 0.00 N ATOM 331 CZ ARG A 22 25.144 38.006 10.009 1.00 0.00 C ATOM 332 NH1 ARG A 22 26.332 37.486 10.187 1.00 0.00 N ATOM 333 NH2 ARG A 22 24.385 38.247 11.043 1.00 0.00 N ATOM 0 H ARG A 22 25.397 34.448 4.918 1.00 0.00 H new ATOM 0 HA ARG A 22 23.984 36.855 4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 22 23.514 37.034 6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 22 23.902 35.326 6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 22 25.290 35.955 8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 22 26.406 36.248 6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 22 26.540 38.341 7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 22 25.144 38.649 6.764 1.00 0.00 H new ATOM 0 HE ARG A 22 23.769 38.698 8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 22 26.931 37.295 9.384 1.00 0.00 H new ATOM 0 HH12 ARG A 22 26.659 37.272 11.129 1.00 0.00 H new ATOM 0 HH21 ARG A 22 23.458 38.652 10.912 1.00 0.00 H new ATOM 0 HH22 ARG A 22 24.719 38.030 11.982 1.00 0.00 H new ATOM 347 N LEU A 23 27.194 36.920 4.647 1.00 0.00 N ATOM 348 CA LEU A 23 28.379 37.764 4.545 1.00 0.00 C ATOM 349 C LEU A 23 28.334 38.580 3.259 1.00 0.00 C ATOM 350 O LEU A 23 28.699 39.755 3.245 1.00 0.00 O ATOM 351 CB LEU A 23 29.645 36.900 4.568 1.00 0.00 C ATOM 352 CG LEU A 23 30.888 37.794 4.517 1.00 0.00 C ATOM 353 CD1 LEU A 23 30.974 38.632 5.794 1.00 0.00 C ATOM 354 CD2 LEU A 23 32.137 36.917 4.399 1.00 0.00 C ATOM 0 H LEU A 23 27.387 35.921 4.716 1.00 0.00 H new ATOM 0 HA LEU A 23 28.397 38.445 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.663 36.289 5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 23 29.644 36.215 3.720 1.00 0.00 H new ATOM 0 HG LEU A 23 30.822 38.458 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 23 31.859 39.266 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 23 30.084 39.256 5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 23 31.040 37.972 6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 23 33.024 37.550 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 23 32.199 36.255 5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 23 32.079 36.321 3.488 1.00 0.00 H new ATOM 366 N ALA A 24 27.872 37.952 2.182 1.00 0.00 N ATOM 367 CA ALA A 24 27.770 38.638 0.900 1.00 0.00 C ATOM 368 C ALA A 24 26.745 39.762 0.996 1.00 0.00 C ATOM 369 O ALA A 24 26.974 40.872 0.517 1.00 0.00 O ATOM 370 CB ALA A 24 27.354 37.653 -0.193 1.00 0.00 C ATOM 0 H ALA A 24 27.565 36.979 2.171 1.00 0.00 H new ATOM 0 HA ALA A 24 28.743 39.058 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 24 27.281 38.177 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 24 28.098 36.860 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 24 26.386 37.219 0.058 1.00 0.00 H new ATOM 376 N ASN A 25 25.614 39.461 1.625 1.00 0.00 N ATOM 377 CA ASN A 25 24.557 40.450 1.789 1.00 0.00 C ATOM 378 C ASN A 25 25.053 41.619 2.635 1.00 0.00 C ATOM 379 O ASN A 25 24.713 42.774 2.379 1.00 0.00 O ATOM 380 CB ASN A 25 23.341 39.808 2.458 1.00 0.00 C ATOM 381 CG ASN A 25 22.649 38.862 1.483 1.00 0.00 C ATOM 382 OD1 ASN A 25 22.842 38.967 0.272 1.00 0.00 O ATOM 383 ND2 ASN A 25 21.850 37.937 1.941 1.00 0.00 N ATOM 0 H ASN A 25 25.407 38.547 2.027 1.00 0.00 H new ATOM 0 HA ASN A 25 24.271 40.822 0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.652 39.262 3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.645 40.581 2.784 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.384 37.300 1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.691 37.852 2.945 1.00 0.00 H new ATOM 390 N PHE A 26 25.858 41.307 3.646 1.00 0.00 N ATOM 391 CA PHE A 26 26.399 42.335 4.528 1.00 0.00 C ATOM 392 C PHE A 26 27.401 43.217 3.785 1.00 0.00 C ATOM 393 O PHE A 26 27.551 44.398 4.095 1.00 0.00 O ATOM 394 CB PHE A 26 27.085 41.682 5.730 1.00 0.00 C ATOM 395 CG PHE A 26 27.523 42.752 6.701 1.00 0.00 C ATOM 396 CD1 PHE A 26 26.597 43.313 7.589 1.00 0.00 C ATOM 397 CD2 PHE A 26 28.855 43.183 6.714 1.00 0.00 C ATOM 398 CE1 PHE A 26 27.002 44.305 8.489 1.00 0.00 C ATOM 399 CE2 PHE A 26 29.260 44.175 7.614 1.00 0.00 C ATOM 400 CZ PHE A 26 28.334 44.737 8.502 1.00 0.00 C ATOM 0 H PHE A 26 26.149 40.356 3.874 1.00 0.00 H new ATOM 0 HA PHE A 26 25.574 42.959 4.872 1.00 0.00 H new ATOM 0 HB2 PHE A 26 26.402 40.989 6.220 1.00 0.00 H new ATOM 0 HB3 PHE A 26 27.946 41.101 5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 26 25.570 42.980 7.579 1.00 0.00 H new ATOM 0 HD2 PHE A 26 29.570 42.750 6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 26 26.287 44.737 9.174 1.00 0.00 H new ATOM 0 HE2 PHE A 26 30.287 44.508 7.624 1.00 0.00 H new ATOM 0 HZ PHE A 26 28.647 45.503 9.196 1.00 0.00 H new ATOM 410 N LEU A 27 28.089 42.631 2.810 1.00 0.00 N ATOM 411 CA LEU A 27 29.082 43.367 2.032 1.00 0.00 C ATOM 412 C LEU A 27 28.434 44.575 1.356 1.00 0.00 C ATOM 413 O LEU A 27 29.029 45.649 1.281 1.00 0.00 O ATOM 414 CB LEU A 27 29.702 42.419 0.985 1.00 0.00 C ATOM 415 CG LEU A 27 30.817 43.089 0.147 1.00 0.00 C ATOM 416 CD1 LEU A 27 30.210 43.889 -1.017 1.00 0.00 C ATOM 417 CD2 LEU A 27 31.690 44.008 1.016 1.00 0.00 C ATOM 0 H LEU A 27 27.979 41.654 2.540 1.00 0.00 H new ATOM 0 HA LEU A 27 29.868 43.735 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 27 30.112 41.545 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 27 28.918 42.062 0.317 1.00 0.00 H new ATOM 0 HG LEU A 27 31.449 42.298 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 27 31.009 44.353 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 27 29.639 43.219 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 27 29.551 44.663 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 27 32.464 44.464 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 27 31.070 44.789 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 27 32.156 43.424 1.810 1.00 0.00 H new ATOM 429 N VAL A 28 27.202 44.405 0.889 1.00 0.00 N ATOM 430 CA VAL A 28 26.492 45.505 0.244 1.00 0.00 C ATOM 431 C VAL A 28 25.655 46.272 1.265 1.00 0.00 C ATOM 432 O VAL A 28 25.362 47.453 1.076 1.00 0.00 O ATOM 433 CB VAL A 28 25.598 44.978 -0.882 1.00 0.00 C ATOM 434 CG1 VAL A 28 26.452 44.226 -1.903 1.00 0.00 C ATOM 435 CG2 VAL A 28 24.545 44.030 -0.303 1.00 0.00 C ATOM 0 H VAL A 28 26.680 43.530 0.943 1.00 0.00 H new ATOM 0 HA VAL A 28 27.229 46.185 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 28 25.101 45.817 -1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 28 25.815 43.851 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 28 27.200 44.901 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 28 26.951 43.389 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 28 23.910 43.657 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 28 25.040 43.192 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 28 23.933 44.565 0.423 1.00 0.00 H new ATOM 445 N HIS A 29 25.286 45.606 2.354 1.00 0.00 N ATOM 446 CA HIS A 29 24.501 46.252 3.400 1.00 0.00 C ATOM 447 C HIS A 29 25.313 47.368 4.049 1.00 0.00 C ATOM 448 O HIS A 29 24.788 48.439 4.354 1.00 0.00 O ATOM 449 CB HIS A 29 24.099 45.229 4.465 1.00 0.00 C ATOM 450 CG HIS A 29 23.084 45.842 5.391 1.00 0.00 C ATOM 451 ND1 HIS A 29 21.799 46.157 4.976 1.00 0.00 N ATOM 452 CD2 HIS A 29 23.150 46.204 6.714 1.00 0.00 C ATOM 453 CE1 HIS A 29 21.150 46.683 6.031 1.00 0.00 C ATOM 454 NE2 HIS A 29 21.928 46.734 7.116 1.00 0.00 N ATOM 0 H HIS A 29 25.515 44.629 2.535 1.00 0.00 H new ATOM 0 HA HIS A 29 23.602 46.674 2.950 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.684 44.339 3.992 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.976 44.911 5.029 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.019 46.094 7.346 1.00 0.00 H new ATOM 0 HE1 HIS A 29 20.125 47.023 6.004 1.00 0.00 H new ATOM 0 HE2 HIS A 29 21.679 47.086 8.041 1.00 0.00 H new ATOM 463 N SER A 30 26.599 47.104 4.258 1.00 0.00 N ATOM 464 CA SER A 30 27.480 48.090 4.874 1.00 0.00 C ATOM 465 C SER A 30 28.126 48.986 3.815 1.00 0.00 C ATOM 466 O SER A 30 29.103 49.681 4.094 1.00 0.00 O ATOM 467 CB SER A 30 28.571 47.383 5.678 1.00 0.00 C ATOM 468 OG SER A 30 29.218 48.326 6.523 1.00 0.00 O ATOM 0 H SER A 30 27.051 46.223 4.012 1.00 0.00 H new ATOM 0 HA SER A 30 26.880 48.713 5.537 1.00 0.00 H new ATOM 0 HB2 SER A 30 28.137 46.581 6.275 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.295 46.924 5.005 1.00 0.00 H new ATOM 0 HG SER A 30 29.421 49.137 6.012 1.00 0.00 H new ATOM 474 N SER A 31 27.583 48.960 2.599 1.00 0.00 N ATOM 475 CA SER A 31 28.125 49.766 1.510 1.00 0.00 C ATOM 476 C SER A 31 27.726 51.233 1.655 1.00 0.00 C ATOM 477 O SER A 31 28.354 52.112 1.066 1.00 0.00 O ATOM 478 CB SER A 31 27.625 49.233 0.168 1.00 0.00 C ATOM 479 OG SER A 31 28.250 49.954 -0.886 1.00 0.00 O ATOM 0 H SER A 31 26.774 48.393 2.345 1.00 0.00 H new ATOM 0 HA SER A 31 29.212 49.699 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 31 27.849 48.170 0.080 1.00 0.00 H new ATOM 0 HB3 SER A 31 26.542 49.337 0.103 1.00 0.00 H new ATOM 0 HG SER A 31 27.933 49.614 -1.748 1.00 0.00 H new ATOM 485 N ASN A 32 26.685 51.495 2.437 1.00 0.00 N ATOM 486 CA ASN A 32 26.227 52.865 2.638 1.00 0.00 C ATOM 487 C ASN A 32 27.329 53.709 3.267 1.00 0.00 C ATOM 488 O ASN A 32 27.564 54.848 2.861 1.00 0.00 O ATOM 489 CB ASN A 32 24.993 52.877 3.541 1.00 0.00 C ATOM 490 CG ASN A 32 25.306 52.181 4.861 1.00 0.00 C ATOM 491 OD1 ASN A 32 25.724 51.023 4.869 1.00 0.00 O ATOM 492 ND2 ASN A 32 25.128 52.822 5.984 1.00 0.00 N ATOM 0 H ASN A 32 26.148 50.787 2.937 1.00 0.00 H new ATOM 0 HA ASN A 32 25.969 53.289 1.667 1.00 0.00 H new ATOM 0 HB2 ASN A 32 24.679 53.904 3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 32 24.163 52.375 3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 32 25.335 52.364 6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 32 24.782 53.781 5.974 1.00 0.00 H new ATOM 499 N ASN A 33 28.006 53.140 4.257 1.00 0.00 N ATOM 500 CA ASN A 33 29.086 53.851 4.929 1.00 0.00 C ATOM 501 C ASN A 33 30.247 54.065 3.964 1.00 0.00 C ATOM 502 O ASN A 33 30.881 55.120 3.957 1.00 0.00 O ATOM 503 CB ASN A 33 29.564 53.059 6.148 1.00 0.00 C ATOM 504 CG ASN A 33 28.505 53.100 7.244 1.00 0.00 C ATOM 505 OD1 ASN A 33 27.899 52.076 7.561 1.00 0.00 O ATOM 506 ND2 ASN A 33 28.245 54.228 7.846 1.00 0.00 N ATOM 0 H ASN A 33 27.829 52.199 4.609 1.00 0.00 H new ATOM 0 HA ASN A 33 28.714 54.820 5.262 1.00 0.00 H new ATOM 0 HB2 ASN A 33 29.766 52.026 5.865 1.00 0.00 H new ATOM 0 HB3 ASN A 33 30.500 53.477 6.519 1.00 0.00 H new ATOM 0 HD21 ASN A 33 27.539 54.263 8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 33 28.748 55.075 7.582 1.00 0.00 H new ATOM 513 N PHE A 34 30.516 53.047 3.154 1.00 0.00 N ATOM 514 CA PHE A 34 31.602 53.111 2.182 1.00 0.00 C ATOM 515 C PHE A 34 31.489 54.373 1.334 1.00 0.00 C ATOM 516 O PHE A 34 32.496 54.999 1.002 1.00 0.00 O ATOM 517 CB PHE A 34 31.567 51.878 1.277 1.00 0.00 C ATOM 518 CG PHE A 34 32.700 51.950 0.282 1.00 0.00 C ATOM 519 CD1 PHE A 34 34.005 51.637 0.682 1.00 0.00 C ATOM 520 CD2 PHE A 34 32.446 52.328 -1.042 1.00 0.00 C ATOM 521 CE1 PHE A 34 35.055 51.702 -0.241 1.00 0.00 C ATOM 522 CE2 PHE A 34 33.496 52.394 -1.965 1.00 0.00 C ATOM 523 CZ PHE A 34 34.801 52.081 -1.565 1.00 0.00 C ATOM 0 H PHE A 34 29.998 52.168 3.151 1.00 0.00 H new ATOM 0 HA PHE A 34 32.548 53.136 2.723 1.00 0.00 H new ATOM 0 HB2 PHE A 34 31.653 50.972 1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 34 30.612 51.825 0.754 1.00 0.00 H new ATOM 0 HD1 PHE A 34 34.201 51.345 1.703 1.00 0.00 H new ATOM 0 HD2 PHE A 34 31.440 52.569 -1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 34 36.061 51.460 0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 34 33.300 52.686 -2.986 1.00 0.00 H new ATOM 0 HZ PHE A 34 35.611 52.132 -2.277 1.00 0.00 H new ATOM 533 N GLY A 35 30.262 54.747 0.990 1.00 0.00 N ATOM 534 CA GLY A 35 30.041 55.942 0.184 1.00 0.00 C ATOM 535 C GLY A 35 30.576 57.178 0.898 1.00 0.00 C ATOM 536 O GLY A 35 31.402 57.911 0.354 1.00 0.00 O ATOM 0 H GLY A 35 29.413 54.246 1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 35 30.534 55.832 -0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 35 28.976 56.062 -0.013 1.00 0.00 H new ATOM 540 N ALA A 36 30.103 57.406 2.120 1.00 0.00 N ATOM 541 CA ALA A 36 30.550 58.561 2.892 1.00 0.00 C ATOM 542 C ALA A 36 32.055 58.491 3.129 1.00 0.00 C ATOM 543 O ALA A 36 32.739 59.514 3.152 1.00 0.00 O ATOM 544 CB ALA A 36 29.819 58.611 4.235 1.00 0.00 C ATOM 0 H ALA A 36 29.419 56.815 2.592 1.00 0.00 H new ATOM 0 HA ALA A 36 30.322 59.464 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.160 59.477 4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 36 28.746 58.690 4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 36 30.030 57.702 4.798 1.00 0.00 H new ATOM 550 N ILE A 37 32.565 57.276 3.298 1.00 0.00 N ATOM 551 CA ILE A 37 33.992 57.078 3.526 1.00 0.00 C ATOM 552 C ILE A 37 34.800 57.585 2.336 1.00 0.00 C ATOM 553 O ILE A 37 35.891 58.131 2.498 1.00 0.00 O ATOM 554 CB ILE A 37 34.284 55.592 3.748 1.00 0.00 C ATOM 555 CG1 ILE A 37 33.807 55.184 5.147 1.00 0.00 C ATOM 556 CG2 ILE A 37 35.790 55.345 3.630 1.00 0.00 C ATOM 557 CD1 ILE A 37 33.836 53.659 5.282 1.00 0.00 C ATOM 0 H ILE A 37 32.015 56.417 3.282 1.00 0.00 H new ATOM 0 HA ILE A 37 34.281 57.641 4.413 1.00 0.00 H new ATOM 0 HB ILE A 37 33.760 55.001 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 37 34.445 55.637 5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 37 32.796 55.554 5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 37 35.999 54.287 3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 37 36.130 55.637 2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 37 36.315 55.935 4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 37 33.496 53.375 6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 37 33.179 53.215 4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 37 34.854 53.300 5.130 1.00 0.00 H new ATOM 569 N LEU A 38 34.253 57.396 1.139 1.00 0.00 N ATOM 570 CA LEU A 38 34.925 57.832 -0.080 1.00 0.00 C ATOM 571 C LEU A 38 35.094 59.348 -0.087 1.00 0.00 C ATOM 572 O LEU A 38 36.051 59.871 -0.658 1.00 0.00 O ATOM 573 CB LEU A 38 34.118 57.396 -1.308 1.00 0.00 C ATOM 574 CG LEU A 38 34.863 57.787 -2.588 1.00 0.00 C ATOM 575 CD1 LEU A 38 36.163 56.986 -2.695 1.00 0.00 C ATOM 576 CD2 LEU A 38 33.979 57.483 -3.800 1.00 0.00 C ATOM 0 H LEU A 38 33.350 56.946 0.987 1.00 0.00 H new ATOM 0 HA LEU A 38 35.912 57.370 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 38 33.958 56.318 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 38 33.134 57.864 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 38 35.097 58.851 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 38 36.690 57.267 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 38 36.793 57.199 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 38 35.933 55.921 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.506 57.760 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 38 33.747 56.418 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.053 58.054 -3.728 1.00 0.00 H new ATOM 588 N SER A 39 34.165 60.049 0.553 1.00 0.00 N ATOM 589 CA SER A 39 34.231 61.504 0.616 1.00 0.00 C ATOM 590 C SER A 39 35.504 61.946 1.330 1.00 0.00 C ATOM 591 O SER A 39 36.153 62.910 0.923 1.00 0.00 O ATOM 592 CB SER A 39 33.010 62.056 1.353 1.00 0.00 C ATOM 593 OG SER A 39 33.079 63.475 1.380 1.00 0.00 O ATOM 0 H SER A 39 33.364 59.638 1.032 1.00 0.00 H new ATOM 0 HA SER A 39 34.241 61.894 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 39 32.095 61.734 0.856 1.00 0.00 H new ATOM 0 HB3 SER A 39 32.976 61.663 2.369 1.00 0.00 H new ATOM 0 HG SER A 39 32.297 63.832 1.850 1.00 0.00 H new ATOM 599 N SER A 40 35.857 61.234 2.394 1.00 0.00 N ATOM 600 CA SER A 40 37.057 61.559 3.156 1.00 0.00 C ATOM 601 C SER A 40 38.235 60.714 2.684 1.00 0.00 C ATOM 602 O SER A 40 39.141 60.406 3.459 1.00 0.00 O ATOM 603 CB SER A 40 36.813 61.313 4.645 1.00 0.00 C ATOM 604 OG SER A 40 35.793 62.189 5.105 1.00 0.00 O ATOM 0 H SER A 40 35.333 60.433 2.747 1.00 0.00 H new ATOM 0 HA SER A 40 37.292 62.611 2.997 1.00 0.00 H new ATOM 0 HB2 SER A 40 36.520 60.276 4.811 1.00 0.00 H new ATOM 0 HB3 SER A 40 37.732 61.479 5.208 1.00 0.00 H new ATOM 0 HG SER A 40 35.633 62.032 6.059 1.00 0.00 H new ATOM 610 N THR A 41 38.215 60.341 1.408 1.00 0.00 N ATOM 611 CA THR A 41 39.287 59.528 0.841 1.00 0.00 C ATOM 612 C THR A 41 40.510 60.380 0.495 1.00 0.00 C ATOM 613 O THR A 41 41.465 59.884 -0.102 1.00 0.00 O ATOM 614 CB THR A 41 38.789 58.818 -0.420 1.00 0.00 C ATOM 615 OG1 THR A 41 39.679 57.760 -0.747 1.00 0.00 O ATOM 616 CG2 THR A 41 38.729 59.814 -1.579 1.00 0.00 C ATOM 0 H THR A 41 37.474 60.586 0.751 1.00 0.00 H new ATOM 0 HA THR A 41 39.582 58.793 1.590 1.00 0.00 H new ATOM 0 HB THR A 41 37.793 58.414 -0.241 1.00 0.00 H new ATOM 0 HG1 THR A 41 40.604 58.066 -0.641 1.00 0.00 H new ATOM 0 HG21 THR A 41 38.374 59.307 -2.476 1.00 0.00 H new ATOM 0 HG22 THR A 41 38.046 60.625 -1.327 1.00 0.00 H new ATOM 0 HG23 THR A 41 39.724 60.221 -1.761 1.00 0.00 H new ATOM 624 N ASN A 42 40.482 61.660 0.867 1.00 0.00 N ATOM 625 CA ASN A 42 41.603 62.548 0.580 1.00 0.00 C ATOM 626 C ASN A 42 42.631 62.512 1.710 1.00 0.00 C ATOM 627 O ASN A 42 43.466 63.409 1.826 1.00 0.00 O ATOM 628 CB ASN A 42 41.098 63.980 0.394 1.00 0.00 C ATOM 629 CG ASN A 42 40.559 64.517 1.715 1.00 0.00 C ATOM 630 OD1 ASN A 42 40.386 63.761 2.670 1.00 0.00 O ATOM 631 ND2 ASN A 42 40.281 65.787 1.827 1.00 0.00 N ATOM 0 H ASN A 42 39.705 62.099 1.361 1.00 0.00 H new ATOM 0 HA ASN A 42 42.083 62.206 -0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 42 41.907 64.616 0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 42 40.315 64.003 -0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 42 39.920 66.154 2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 42 40.425 66.412 1.034 1.00 0.00 H new ATOM 638 N VAL A 43 42.567 61.474 2.540 1.00 0.00 N ATOM 639 CA VAL A 43 43.501 61.340 3.653 1.00 0.00 C ATOM 640 C VAL A 43 44.922 61.114 3.143 1.00 0.00 C ATOM 641 O VAL A 43 45.893 61.380 3.851 1.00 0.00 O ATOM 642 CB VAL A 43 43.086 60.168 4.544 1.00 0.00 C ATOM 643 CG1 VAL A 43 43.324 58.852 3.802 1.00 0.00 C ATOM 644 CG2 VAL A 43 43.920 60.185 5.828 1.00 0.00 C ATOM 0 H VAL A 43 41.884 60.720 2.464 1.00 0.00 H new ATOM 0 HA VAL A 43 43.479 62.264 4.231 1.00 0.00 H new ATOM 0 HB VAL A 43 42.029 60.258 4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 43 43.028 58.017 4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 43 42.733 58.838 2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 43 44.381 58.761 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 43 43.626 59.350 6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.977 60.094 5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.752 61.122 6.358 1.00 0.00 H new ATOM 654 N GLY A 44 45.038 60.621 1.913 1.00 0.00 N ATOM 655 CA GLY A 44 46.348 60.364 1.326 1.00 0.00 C ATOM 656 C GLY A 44 46.298 59.180 0.363 1.00 0.00 C ATOM 657 O GLY A 44 47.172 59.028 -0.491 1.00 0.00 O ATOM 0 H GLY A 44 44.248 60.393 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 44 46.693 61.252 0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 44 47.071 60.163 2.117 1.00 0.00 H new ATOM 661 N SER A 45 45.273 58.344 0.503 1.00 0.00 N ATOM 662 CA SER A 45 45.126 57.181 -0.364 1.00 0.00 C ATOM 663 C SER A 45 44.244 57.515 -1.564 1.00 0.00 C ATOM 664 O SER A 45 43.527 56.657 -2.078 1.00 0.00 O ATOM 665 CB SER A 45 44.507 56.023 0.419 1.00 0.00 C ATOM 666 OG SER A 45 43.223 56.408 0.891 1.00 0.00 O ATOM 0 H SER A 45 44.538 58.449 1.203 1.00 0.00 H new ATOM 0 HA SER A 45 46.113 56.891 -0.723 1.00 0.00 H new ATOM 0 HB2 SER A 45 44.424 55.142 -0.217 1.00 0.00 H new ATOM 0 HB3 SER A 45 45.149 55.751 1.257 1.00 0.00 H new ATOM 0 HG SER A 45 42.823 55.667 1.392 1.00 0.00 H new ATOM 672 N ASN A 46 44.303 58.769 -2.003 1.00 0.00 N ATOM 673 CA ASN A 46 43.505 59.207 -3.143 1.00 0.00 C ATOM 674 C ASN A 46 44.314 59.119 -4.433 1.00 0.00 C ATOM 675 O ASN A 46 44.042 59.834 -5.398 1.00 0.00 O ATOM 676 CB ASN A 46 43.037 60.648 -2.929 1.00 0.00 C ATOM 677 CG ASN A 46 44.239 61.586 -2.883 1.00 0.00 C ATOM 678 OD1 ASN A 46 45.383 61.133 -2.908 1.00 0.00 O ATOM 679 ND2 ASN A 46 44.046 62.875 -2.818 1.00 0.00 N ATOM 0 H ASN A 46 44.890 59.494 -1.591 1.00 0.00 H new ATOM 0 HA ASN A 46 42.638 58.551 -3.228 1.00 0.00 H new ATOM 0 HB2 ASN A 46 42.365 60.944 -3.734 1.00 0.00 H new ATOM 0 HB3 ASN A 46 42.472 60.721 -2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 46 44.844 63.509 -2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 46 43.097 63.248 -2.797 1.00 0.00 H new ATOM 686 N THR A 47 45.310 58.238 -4.444 1.00 0.00 N ATOM 687 CA THR A 47 46.152 58.067 -5.622 1.00 0.00 C ATOM 688 C THR A 47 45.663 56.895 -6.469 1.00 0.00 C ATOM 689 O THR A 47 46.445 56.254 -7.170 1.00 0.00 O ATOM 690 CB THR A 47 47.602 57.824 -5.194 1.00 0.00 C ATOM 691 OG1 THR A 47 47.710 57.980 -3.786 1.00 0.00 O ATOM 692 CG2 THR A 47 48.518 58.830 -5.893 1.00 0.00 C ATOM 0 H THR A 47 45.552 57.636 -3.657 1.00 0.00 H new ATOM 0 HA THR A 47 46.097 58.976 -6.220 1.00 0.00 H new ATOM 0 HB THR A 47 47.899 56.813 -5.472 1.00 0.00 H new ATOM 0 HG1 THR A 47 48.637 57.823 -3.510 1.00 0.00 H new ATOM 0 HG21 THR A 47 49.550 58.656 -5.588 1.00 0.00 H new ATOM 0 HG22 THR A 47 48.434 58.709 -6.973 1.00 0.00 H new ATOM 0 HG23 THR A 47 48.224 59.843 -5.617 1.00 0.00 H new ATOM 700 N TYR A 48 44.363 56.622 -6.400 1.00 0.00 N ATOM 701 CA TYR A 48 43.783 55.525 -7.167 1.00 0.00 C ATOM 702 C TYR A 48 43.036 56.055 -8.389 1.00 0.00 C ATOM 703 O TYR A 48 42.150 55.389 -8.923 1.00 0.00 O ATOM 704 CB TYR A 48 42.822 54.720 -6.288 1.00 0.00 C ATOM 705 CG TYR A 48 41.670 55.598 -5.856 1.00 0.00 C ATOM 706 CD1 TYR A 48 40.509 55.665 -6.636 1.00 0.00 C ATOM 707 CD2 TYR A 48 41.762 56.342 -4.673 1.00 0.00 C ATOM 708 CE1 TYR A 48 39.441 56.476 -6.234 1.00 0.00 C ATOM 709 CE2 TYR A 48 40.694 57.154 -4.272 1.00 0.00 C ATOM 710 CZ TYR A 48 39.533 57.220 -5.052 1.00 0.00 C ATOM 711 OH TYR A 48 38.480 58.020 -4.656 1.00 0.00 O ATOM 0 H TYR A 48 43.697 57.140 -5.827 1.00 0.00 H new ATOM 0 HA TYR A 48 44.593 54.879 -7.505 1.00 0.00 H new ATOM 0 HB2 TYR A 48 42.447 53.857 -6.838 1.00 0.00 H new ATOM 0 HB3 TYR A 48 43.348 54.337 -5.413 1.00 0.00 H new ATOM 0 HD1 TYR A 48 40.437 55.091 -7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 48 42.657 56.289 -4.070 1.00 0.00 H new ATOM 0 HE1 TYR A 48 38.546 56.528 -6.836 1.00 0.00 H new ATOM 0 HE2 TYR A 48 40.766 57.729 -3.361 1.00 0.00 H new ATOM 0 HH TYR A 48 37.863 58.144 -5.407 1.00 0.00 H new ATOM 721 N GLY A 49 43.400 57.257 -8.828 1.00 0.00 N ATOM 722 CA GLY A 49 42.754 57.861 -9.988 1.00 0.00 C ATOM 723 C GLY A 49 42.923 56.987 -11.225 1.00 0.00 C ATOM 724 O GLY A 49 44.000 56.445 -11.473 1.00 0.00 O ATOM 0 H GLY A 49 44.131 57.827 -8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 49 41.693 58.006 -9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 49 43.181 58.847 -10.174 1.00 0.00 H new ATOM 728 N LYS A 50 41.850 56.855 -11.999 1.00 0.00 N ATOM 729 CA LYS A 50 41.888 56.044 -13.211 1.00 0.00 C ATOM 730 C LYS A 50 42.865 56.635 -14.222 1.00 0.00 C ATOM 731 O LYS A 50 43.559 55.904 -14.929 1.00 0.00 O ATOM 732 CB LYS A 50 40.492 55.970 -13.832 1.00 0.00 C ATOM 733 CG LYS A 50 39.581 55.123 -12.940 1.00 0.00 C ATOM 734 CD LYS A 50 38.243 54.890 -13.646 1.00 0.00 C ATOM 735 CE LYS A 50 37.451 56.198 -13.690 1.00 0.00 C ATOM 736 NZ LYS A 50 37.208 56.679 -12.301 1.00 0.00 N ATOM 0 H LYS A 50 40.950 57.296 -11.810 1.00 0.00 H new ATOM 0 HA LYS A 50 42.222 55.041 -12.944 1.00 0.00 H new ATOM 0 HB2 LYS A 50 40.079 56.972 -13.945 1.00 0.00 H new ATOM 0 HB3 LYS A 50 40.549 55.535 -14.830 1.00 0.00 H new ATOM 0 HG2 LYS A 50 40.058 54.168 -12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 50 39.418 55.627 -11.987 1.00 0.00 H new ATOM 0 HD2 LYS A 50 38.413 54.522 -14.658 1.00 0.00 H new ATOM 0 HD3 LYS A 50 37.672 54.125 -13.121 1.00 0.00 H new ATOM 0 HE2 LYS A 50 38.001 56.950 -14.255 1.00 0.00 H new ATOM 0 HE3 LYS A 50 36.502 56.044 -14.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 36.332 57.239 -12.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 37.116 55.863 -11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 38.006 57.271 -11.994 1.00 0.00 H new ATOM 750 N ARG A 51 42.908 57.963 -14.289 1.00 0.00 N ATOM 751 CA ARG A 51 43.799 58.644 -15.223 1.00 0.00 C ATOM 752 C ARG A 51 45.212 58.077 -15.132 1.00 0.00 C ATOM 753 O ARG A 51 45.957 58.085 -16.111 1.00 0.00 O ATOM 754 CB ARG A 51 43.825 60.146 -14.923 1.00 0.00 C ATOM 755 CG ARG A 51 44.534 60.396 -13.590 1.00 0.00 C ATOM 756 CD ARG A 51 44.438 61.880 -13.232 1.00 0.00 C ATOM 757 NE ARG A 51 45.167 62.150 -11.997 1.00 0.00 N ATOM 758 CZ ARG A 51 44.641 61.887 -10.798 1.00 0.00 C ATOM 759 NH1 ARG A 51 43.444 61.369 -10.690 1.00 0.00 N ATOM 760 NH2 ARG A 51 45.329 62.150 -9.721 1.00 0.00 N ATOM 0 H ARG A 51 42.341 58.585 -13.712 1.00 0.00 H new ATOM 0 HA ARG A 51 43.423 58.484 -16.234 1.00 0.00 H new ATOM 0 HB2 ARG A 51 44.339 60.677 -15.724 1.00 0.00 H new ATOM 0 HB3 ARG A 51 42.808 60.536 -14.883 1.00 0.00 H new ATOM 0 HG2 ARG A 51 44.079 59.791 -12.805 1.00 0.00 H new ATOM 0 HG3 ARG A 51 45.579 60.095 -13.660 1.00 0.00 H new ATOM 0 HD2 ARG A 51 44.846 62.484 -14.043 1.00 0.00 H new ATOM 0 HD3 ARG A 51 43.393 62.166 -13.116 1.00 0.00 H new ATOM 0 HE ARG A 51 46.104 62.550 -12.051 1.00 0.00 H new ATOM 0 HH11 ARG A 51 42.901 61.161 -11.528 1.00 0.00 H new ATOM 0 HH12 ARG A 51 43.054 61.173 -9.768 1.00 0.00 H new ATOM 0 HH21 ARG A 51 46.262 62.554 -9.798 1.00 0.00 H new ATOM 0 HH22 ARG A 51 44.933 61.952 -8.802 1.00 0.00 H new ATOM 774 N ASN A 52 45.576 57.585 -13.953 1.00 0.00 N ATOM 775 CA ASN A 52 46.904 57.017 -13.755 1.00 0.00 C ATOM 776 C ASN A 52 47.079 55.765 -14.608 1.00 0.00 C ATOM 777 O ASN A 52 48.142 55.537 -15.186 1.00 0.00 O ATOM 778 CB ASN A 52 47.105 56.663 -12.280 1.00 0.00 C ATOM 779 CG ASN A 52 48.579 56.791 -11.908 1.00 0.00 C ATOM 780 OD1 ASN A 52 48.905 57.174 -10.785 1.00 0.00 O ATOM 781 ND2 ASN A 52 49.494 56.491 -12.789 1.00 0.00 N ATOM 0 H ASN A 52 44.977 57.568 -13.128 1.00 0.00 H new ATOM 0 HA ASN A 52 47.646 57.757 -14.055 1.00 0.00 H new ATOM 0 HB2 ASN A 52 46.505 57.324 -11.654 1.00 0.00 H new ATOM 0 HB3 ASN A 52 46.761 55.646 -12.092 1.00 0.00 H new ATOM 0 HD21 ASN A 52 50.481 56.574 -12.547 1.00 0.00 H new ATOM 0 HD22 ASN A 52 49.222 56.174 -13.719 1.00 0.00 H new ATOM 788 N ALA A 53 46.028 54.956 -14.676 1.00 0.00 N ATOM 789 CA ALA A 53 46.070 53.725 -15.456 1.00 0.00 C ATOM 790 C ALA A 53 46.275 54.028 -16.938 1.00 0.00 C ATOM 791 O ALA A 53 47.091 53.390 -17.603 1.00 0.00 O ATOM 792 CB ALA A 53 44.768 52.943 -15.268 1.00 0.00 C ATOM 0 H ALA A 53 45.141 55.129 -14.203 1.00 0.00 H new ATOM 0 HA ALA A 53 46.910 53.126 -15.103 1.00 0.00 H new ATOM 0 HB1 ALA A 53 44.807 52.025 -15.854 1.00 0.00 H new ATOM 0 HB2 ALA A 53 44.641 52.696 -14.214 1.00 0.00 H new ATOM 0 HB3 ALA A 53 43.927 53.551 -15.602 1.00 0.00 H new ATOM 798 N VAL A 54 45.529 55.001 -17.452 1.00 0.00 N ATOM 799 CA VAL A 54 45.640 55.373 -18.858 1.00 0.00 C ATOM 800 C VAL A 54 46.933 56.143 -19.122 1.00 0.00 C ATOM 801 O VAL A 54 47.401 56.216 -20.259 1.00 0.00 O ATOM 802 CB VAL A 54 44.436 56.229 -19.266 1.00 0.00 C ATOM 803 CG1 VAL A 54 44.814 57.713 -19.237 1.00 0.00 C ATOM 804 CG2 VAL A 54 43.994 55.843 -20.680 1.00 0.00 C ATOM 0 H VAL A 54 44.847 55.542 -16.921 1.00 0.00 H new ATOM 0 HA VAL A 54 45.657 54.459 -19.452 1.00 0.00 H new ATOM 0 HB VAL A 54 43.620 56.055 -18.565 1.00 0.00 H new ATOM 0 HG11 VAL A 54 43.952 58.314 -19.528 1.00 0.00 H new ATOM 0 HG12 VAL A 54 45.125 57.990 -18.230 1.00 0.00 H new ATOM 0 HG13 VAL A 54 45.634 57.893 -19.932 1.00 0.00 H new ATOM 0 HG21 VAL A 54 43.138 56.451 -20.972 1.00 0.00 H new ATOM 0 HG22 VAL A 54 44.815 56.013 -21.377 1.00 0.00 H new ATOM 0 HG23 VAL A 54 43.715 54.790 -20.699 1.00 0.00 H new ATOM 814 N GLU A 55 47.508 56.717 -18.067 1.00 0.00 N ATOM 815 CA GLU A 55 48.744 57.477 -18.211 1.00 0.00 C ATOM 816 C GLU A 55 49.931 56.537 -18.397 1.00 0.00 C ATOM 817 O GLU A 55 50.652 56.623 -19.391 1.00 0.00 O ATOM 818 CB GLU A 55 48.968 58.353 -16.977 1.00 0.00 C ATOM 819 CG GLU A 55 50.049 59.394 -17.277 1.00 0.00 C ATOM 820 CD GLU A 55 51.433 58.768 -17.142 1.00 0.00 C ATOM 821 OE1 GLU A 55 51.575 57.851 -16.350 1.00 0.00 O ATOM 822 OE2 GLU A 55 52.333 59.216 -17.833 1.00 0.00 O ATOM 0 H GLU A 55 47.143 56.671 -17.116 1.00 0.00 H new ATOM 0 HA GLU A 55 48.658 58.112 -19.092 1.00 0.00 H new ATOM 0 HB2 GLU A 55 48.039 58.849 -16.697 1.00 0.00 H new ATOM 0 HB3 GLU A 55 49.268 57.736 -16.130 1.00 0.00 H new ATOM 0 HG2 GLU A 55 49.916 59.787 -18.285 1.00 0.00 H new ATOM 0 HG3 GLU A 55 49.954 60.236 -16.591 1.00 0.00 H new ATOM 829 N VAL A 56 50.131 55.644 -17.433 1.00 0.00 N ATOM 830 CA VAL A 56 51.239 54.698 -17.505 1.00 0.00 C ATOM 831 C VAL A 56 51.169 53.885 -18.794 1.00 0.00 C ATOM 832 O VAL A 56 52.198 53.536 -19.374 1.00 0.00 O ATOM 833 CB VAL A 56 51.208 53.759 -16.297 1.00 0.00 C ATOM 834 CG1 VAL A 56 49.955 52.884 -16.356 1.00 0.00 C ATOM 835 CG2 VAL A 56 52.452 52.867 -16.315 1.00 0.00 C ATOM 0 H VAL A 56 49.547 55.555 -16.601 1.00 0.00 H new ATOM 0 HA VAL A 56 52.172 55.261 -17.498 1.00 0.00 H new ATOM 0 HB VAL A 56 51.193 54.349 -15.381 1.00 0.00 H new ATOM 0 HG11 VAL A 56 49.936 52.217 -15.494 1.00 0.00 H new ATOM 0 HG12 VAL A 56 49.068 53.517 -16.344 1.00 0.00 H new ATOM 0 HG13 VAL A 56 49.966 52.293 -17.272 1.00 0.00 H new ATOM 0 HG21 VAL A 56 52.432 52.197 -15.455 1.00 0.00 H new ATOM 0 HG22 VAL A 56 52.465 52.279 -17.233 1.00 0.00 H new ATOM 0 HG23 VAL A 56 53.346 53.489 -16.270 1.00 0.00 H new ATOM 845 N LEU A 57 49.952 53.585 -19.239 1.00 0.00 N ATOM 846 CA LEU A 57 49.773 52.811 -20.462 1.00 0.00 C ATOM 847 C LEU A 57 50.520 53.475 -21.613 1.00 0.00 C ATOM 848 O LEU A 57 51.204 52.811 -22.393 1.00 0.00 O ATOM 849 CB LEU A 57 48.286 52.698 -20.807 1.00 0.00 C ATOM 850 CG LEU A 57 47.823 51.254 -20.600 1.00 0.00 C ATOM 851 CD1 LEU A 57 47.545 51.010 -19.115 1.00 0.00 C ATOM 852 CD2 LEU A 57 46.545 51.009 -21.406 1.00 0.00 C ATOM 0 H LEU A 57 49.086 53.862 -18.777 1.00 0.00 H new ATOM 0 HA LEU A 57 50.175 51.810 -20.303 1.00 0.00 H new ATOM 0 HB2 LEU A 57 47.704 53.372 -20.178 1.00 0.00 H new ATOM 0 HB3 LEU A 57 48.117 53.001 -21.840 1.00 0.00 H new ATOM 0 HG LEU A 57 48.603 50.572 -20.937 1.00 0.00 H new ATOM 0 HD11 LEU A 57 47.216 49.981 -18.971 1.00 0.00 H new ATOM 0 HD12 LEU A 57 48.455 51.183 -18.541 1.00 0.00 H new ATOM 0 HD13 LEU A 57 46.766 51.692 -18.774 1.00 0.00 H new ATOM 0 HD21 LEU A 57 46.214 49.981 -21.260 1.00 0.00 H new ATOM 0 HD22 LEU A 57 45.766 51.693 -21.069 1.00 0.00 H new ATOM 0 HD23 LEU A 57 46.744 51.179 -22.464 1.00 0.00 H new ATOM 864 N LYS A 58 50.389 54.795 -21.702 1.00 0.00 N ATOM 865 CA LYS A 58 51.060 55.560 -22.748 1.00 0.00 C ATOM 866 C LYS A 58 52.575 55.454 -22.603 1.00 0.00 C ATOM 867 O LYS A 58 53.295 55.327 -23.593 1.00 0.00 O ATOM 868 CB LYS A 58 50.645 57.030 -22.658 1.00 0.00 C ATOM 869 CG LYS A 58 49.191 57.183 -23.113 1.00 0.00 C ATOM 870 CD LYS A 58 49.121 57.114 -24.641 1.00 0.00 C ATOM 871 CE LYS A 58 47.701 57.446 -25.103 1.00 0.00 C ATOM 872 NZ LYS A 58 46.772 56.364 -24.669 1.00 0.00 N ATOM 0 H LYS A 58 49.825 55.357 -21.064 1.00 0.00 H new ATOM 0 HA LYS A 58 50.769 55.152 -23.716 1.00 0.00 H new ATOM 0 HB2 LYS A 58 50.756 57.387 -21.634 1.00 0.00 H new ATOM 0 HB3 LYS A 58 51.298 57.641 -23.281 1.00 0.00 H new ATOM 0 HG2 LYS A 58 48.578 56.396 -22.675 1.00 0.00 H new ATOM 0 HG3 LYS A 58 48.788 58.133 -22.763 1.00 0.00 H new ATOM 0 HD2 LYS A 58 49.831 57.815 -25.080 1.00 0.00 H new ATOM 0 HD3 LYS A 58 49.403 56.118 -24.984 1.00 0.00 H new ATOM 0 HE2 LYS A 58 47.385 58.401 -24.684 1.00 0.00 H new ATOM 0 HE3 LYS A 58 47.675 57.549 -26.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 45.856 56.479 -25.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 47.178 55.439 -24.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 46.633 56.418 -23.640 1.00 0.00 H new ATOM 886 N ARG A 59 53.051 55.511 -21.364 1.00 0.00 N ATOM 887 CA ARG A 59 54.483 55.425 -21.099 1.00 0.00 C ATOM 888 C ARG A 59 55.031 54.036 -21.433 1.00 0.00 C ATOM 889 O ARG A 59 56.243 53.820 -21.400 1.00 0.00 O ATOM 890 CB ARG A 59 54.760 55.744 -19.628 1.00 0.00 C ATOM 891 CG ARG A 59 56.201 56.237 -19.470 1.00 0.00 C ATOM 892 CD ARG A 59 57.019 55.191 -18.712 1.00 0.00 C ATOM 893 NE ARG A 59 58.395 55.649 -18.547 1.00 0.00 N ATOM 894 CZ ARG A 59 59.351 54.846 -18.077 1.00 0.00 C ATOM 895 NH1 ARG A 59 59.084 53.608 -17.745 1.00 0.00 N ATOM 896 NH2 ARG A 59 60.568 55.300 -17.948 1.00 0.00 N ATOM 0 H ARG A 59 52.471 55.616 -20.532 1.00 0.00 H new ATOM 0 HA ARG A 59 54.986 56.152 -21.736 1.00 0.00 H new ATOM 0 HB2 ARG A 59 54.064 56.504 -19.273 1.00 0.00 H new ATOM 0 HB3 ARG A 59 54.600 54.856 -19.017 1.00 0.00 H new ATOM 0 HG2 ARG A 59 56.643 56.420 -20.449 1.00 0.00 H new ATOM 0 HG3 ARG A 59 56.215 57.185 -18.932 1.00 0.00 H new ATOM 0 HD2 ARG A 59 56.570 55.005 -17.736 1.00 0.00 H new ATOM 0 HD3 ARG A 59 57.005 54.245 -19.254 1.00 0.00 H new ATOM 0 HE ARG A 59 58.632 56.609 -18.798 1.00 0.00 H new ATOM 0 HH11 ARG A 59 58.135 53.247 -17.844 1.00 0.00 H new ATOM 0 HH12 ARG A 59 59.825 53.005 -17.387 1.00 0.00 H new ATOM 0 HH21 ARG A 59 60.783 56.263 -18.206 1.00 0.00 H new ATOM 0 HH22 ARG A 59 61.304 54.692 -17.589 1.00 0.00 H new ATOM 910 N GLU A 60 54.142 53.095 -21.752 1.00 0.00 N ATOM 911 CA GLU A 60 54.568 51.741 -22.084 1.00 0.00 C ATOM 912 C GLU A 60 54.182 51.396 -23.519 1.00 0.00 C ATOM 913 O GLU A 60 53.252 50.625 -23.754 1.00 0.00 O ATOM 914 CB GLU A 60 53.920 50.740 -21.126 1.00 0.00 C ATOM 915 CG GLU A 60 54.346 51.056 -19.691 1.00 0.00 C ATOM 916 CD GLU A 60 55.861 50.946 -19.561 1.00 0.00 C ATOM 917 OE1 GLU A 60 56.421 50.033 -20.144 1.00 0.00 O ATOM 918 OE2 GLU A 60 56.439 51.777 -18.880 1.00 0.00 O ATOM 0 H GLU A 60 53.134 53.245 -21.787 1.00 0.00 H new ATOM 0 HA GLU A 60 55.652 51.687 -21.987 1.00 0.00 H new ATOM 0 HB2 GLU A 60 52.835 50.788 -21.213 1.00 0.00 H new ATOM 0 HB3 GLU A 60 54.216 49.725 -21.389 1.00 0.00 H new ATOM 0 HG2 GLU A 60 54.021 52.060 -19.419 1.00 0.00 H new ATOM 0 HG3 GLU A 60 53.862 50.367 -18.999 1.00 0.00 H new ATOM 925 N PRO A 61 54.877 51.950 -24.475 1.00 0.00 N ATOM 926 CA PRO A 61 54.604 51.696 -25.920 1.00 0.00 C ATOM 927 C PRO A 61 54.912 50.254 -26.322 1.00 0.00 C ATOM 928 O PRO A 61 54.503 49.798 -27.390 1.00 0.00 O ATOM 929 CB PRO A 61 55.529 52.676 -26.648 1.00 0.00 C ATOM 930 CG PRO A 61 56.614 53.002 -25.676 1.00 0.00 C ATOM 931 CD PRO A 61 56.000 52.881 -24.283 1.00 0.00 C ATOM 0 HA PRO A 61 53.551 51.838 -26.165 1.00 0.00 H new ATOM 0 HB2 PRO A 61 55.937 52.230 -27.555 1.00 0.00 H new ATOM 0 HB3 PRO A 61 54.990 53.574 -26.949 1.00 0.00 H new ATOM 0 HG2 PRO A 61 57.455 52.318 -25.790 1.00 0.00 H new ATOM 0 HG3 PRO A 61 56.997 54.009 -25.845 1.00 0.00 H new ATOM 0 HD2 PRO A 61 56.720 52.496 -23.560 1.00 0.00 H new ATOM 0 HD3 PRO A 61 55.660 53.847 -23.910 1.00 0.00 H new ATOM 939 N LEU A 62 55.637 49.542 -25.463 1.00 0.00 N ATOM 940 CA LEU A 62 55.995 48.157 -25.741 1.00 0.00 C ATOM 941 C LEU A 62 54.743 47.301 -25.908 1.00 0.00 C ATOM 942 O LEU A 62 54.669 46.459 -26.802 1.00 0.00 O ATOM 943 CB LEU A 62 56.850 47.607 -24.595 1.00 0.00 C ATOM 944 CG LEU A 62 57.232 46.150 -24.875 1.00 0.00 C ATOM 945 CD1 LEU A 62 58.106 46.077 -26.129 1.00 0.00 C ATOM 946 CD2 LEU A 62 58.012 45.594 -23.681 1.00 0.00 C ATOM 0 H LEU A 62 55.986 49.900 -24.574 1.00 0.00 H new ATOM 0 HA LEU A 62 56.564 48.123 -26.670 1.00 0.00 H new ATOM 0 HB2 LEU A 62 57.750 48.211 -24.480 1.00 0.00 H new ATOM 0 HB3 LEU A 62 56.300 47.673 -23.656 1.00 0.00 H new ATOM 0 HG LEU A 62 56.327 45.562 -25.031 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.376 45.039 -26.325 1.00 0.00 H new ATOM 0 HD12 LEU A 62 57.555 46.475 -26.981 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.011 46.664 -25.976 1.00 0.00 H new ATOM 0 HD21 LEU A 62 58.286 44.557 -23.876 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.915 46.185 -23.529 1.00 0.00 H new ATOM 0 HD23 LEU A 62 57.391 45.643 -22.786 1.00 0.00 H new ATOM 958 N ASN A 63 53.760 47.522 -25.039 1.00 0.00 N ATOM 959 CA ASN A 63 52.517 46.762 -25.100 1.00 0.00 C ATOM 960 C ASN A 63 51.656 47.226 -26.273 1.00 0.00 C ATOM 961 O ASN A 63 50.803 46.483 -26.758 1.00 0.00 O ATOM 962 CB ASN A 63 51.735 46.924 -23.794 1.00 0.00 C ATOM 963 CG ASN A 63 51.688 48.392 -23.386 1.00 0.00 C ATOM 964 OD1 ASN A 63 52.275 48.773 -22.373 1.00 0.00 O ATOM 965 ND2 ASN A 63 51.018 49.242 -24.115 1.00 0.00 N ATOM 0 H ASN A 63 53.800 48.215 -24.291 1.00 0.00 H new ATOM 0 HA ASN A 63 52.768 45.711 -25.243 1.00 0.00 H new ATOM 0 HB2 ASN A 63 50.722 46.541 -23.919 1.00 0.00 H new ATOM 0 HB3 ASN A 63 52.204 46.335 -23.006 1.00 0.00 H new ATOM 0 HD21 ASN A 63 50.980 50.225 -23.846 1.00 0.00 H new ATOM 0 HD22 ASN A 63 50.533 48.923 -24.954 1.00 0.00 H new ATOM 972 N TYR A 64 51.884 48.457 -26.723 1.00 0.00 N ATOM 973 CA TYR A 64 51.119 49.002 -27.839 1.00 0.00 C ATOM 974 C TYR A 64 51.580 48.386 -29.156 1.00 0.00 C ATOM 975 O TYR A 64 50.805 48.266 -30.104 1.00 0.00 O ATOM 976 CB TYR A 64 51.290 50.521 -27.898 1.00 0.00 C ATOM 977 CG TYR A 64 50.334 51.096 -28.915 1.00 0.00 C ATOM 978 CD1 TYR A 64 48.997 51.327 -28.568 1.00 0.00 C ATOM 979 CD2 TYR A 64 50.783 51.397 -30.206 1.00 0.00 C ATOM 980 CE1 TYR A 64 48.111 51.859 -29.511 1.00 0.00 C ATOM 981 CE2 TYR A 64 49.897 51.930 -31.150 1.00 0.00 C ATOM 982 CZ TYR A 64 48.561 52.161 -30.803 1.00 0.00 C ATOM 983 OH TYR A 64 47.687 52.686 -31.732 1.00 0.00 O ATOM 0 H TYR A 64 52.585 49.090 -26.337 1.00 0.00 H new ATOM 0 HA TYR A 64 50.067 48.760 -27.686 1.00 0.00 H new ATOM 0 HB2 TYR A 64 51.100 50.957 -26.917 1.00 0.00 H new ATOM 0 HB3 TYR A 64 52.316 50.772 -28.165 1.00 0.00 H new ATOM 0 HD1 TYR A 64 48.650 51.094 -27.572 1.00 0.00 H new ATOM 0 HD2 TYR A 64 51.814 51.218 -30.474 1.00 0.00 H new ATOM 0 HE1 TYR A 64 47.080 52.037 -29.243 1.00 0.00 H new ATOM 0 HE2 TYR A 64 50.244 52.163 -32.146 1.00 0.00 H new ATOM 0 HH TYR A 64 48.160 52.839 -32.577 1.00 0.00 H new ATOM 993 N LEU A 65 52.851 47.998 -29.203 1.00 0.00 N ATOM 994 CA LEU A 65 53.415 47.396 -30.406 1.00 0.00 C ATOM 995 C LEU A 65 52.872 45.978 -30.596 1.00 0.00 C ATOM 996 O LEU A 65 52.398 45.359 -29.644 1.00 0.00 O ATOM 997 CB LEU A 65 54.941 47.353 -30.297 1.00 0.00 C ATOM 998 CG LEU A 65 55.498 48.778 -30.321 1.00 0.00 C ATOM 999 CD1 LEU A 65 56.975 48.754 -29.924 1.00 0.00 C ATOM 1000 CD2 LEU A 65 55.361 49.358 -31.733 1.00 0.00 C ATOM 0 H LEU A 65 53.506 48.089 -28.427 1.00 0.00 H new ATOM 0 HA LEU A 65 53.130 48.001 -31.267 1.00 0.00 H new ATOM 0 HB2 LEU A 65 55.236 46.852 -29.375 1.00 0.00 H new ATOM 0 HB3 LEU A 65 55.358 46.775 -31.121 1.00 0.00 H new ATOM 0 HG LEU A 65 54.941 49.397 -29.618 1.00 0.00 H new ATOM 0 HD11 LEU A 65 57.373 49.769 -29.941 1.00 0.00 H new ATOM 0 HD12 LEU A 65 57.075 48.341 -28.920 1.00 0.00 H new ATOM 0 HD13 LEU A 65 57.531 48.135 -30.628 1.00 0.00 H new ATOM 0 HD21 LEU A 65 55.758 50.373 -31.749 1.00 0.00 H new ATOM 0 HD22 LEU A 65 55.918 48.739 -32.436 1.00 0.00 H new ATOM 0 HD23 LEU A 65 54.309 49.375 -32.019 1.00 0.00 H new ATOM 1012 N PRO A 66 52.931 45.454 -31.797 1.00 0.00 N ATOM 1013 CA PRO A 66 52.431 44.079 -32.095 1.00 0.00 C ATOM 1014 C PRO A 66 53.044 43.033 -31.168 1.00 0.00 C ATOM 1015 O PRO A 66 54.227 43.102 -30.834 1.00 0.00 O ATOM 1016 CB PRO A 66 52.858 43.834 -33.545 1.00 0.00 C ATOM 1017 CG PRO A 66 53.041 45.190 -34.140 1.00 0.00 C ATOM 1018 CD PRO A 66 53.476 46.108 -33.000 1.00 0.00 C ATOM 0 HA PRO A 66 51.354 43.999 -31.947 1.00 0.00 H new ATOM 0 HB2 PRO A 66 53.782 43.257 -33.590 1.00 0.00 H new ATOM 0 HB3 PRO A 66 52.101 43.266 -34.087 1.00 0.00 H new ATOM 0 HG2 PRO A 66 53.792 45.169 -34.930 1.00 0.00 H new ATOM 0 HG3 PRO A 66 52.114 45.544 -34.591 1.00 0.00 H new ATOM 0 HD2 PRO A 66 54.561 46.198 -32.950 1.00 0.00 H new ATOM 0 HD3 PRO A 66 53.078 47.115 -33.123 1.00 0.00 H new