USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 599 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 23 ASN : amide:sc= -0.0482 K(o=0.65,f=-0.85) USER MOD Set 1.2: A 84 TYR OH : rot -9:sc= 0.7 USER MOD Set 2.1: A 35 HIS : no HE2:sc= 0.845 K(o=0.66,f=-6.2!) USER MOD Set 2.2: A 76 ASN : amide:sc= -0.188 X(o=0.66,f=0.52) USER MOD Set 3.1: A 43 THR OG1 : rot 60:sc= 0.49 USER MOD Set 3.2: A 70 ASN : amide:sc= -0.284 K(o=0.21,f=-4.9!) USER MOD Set 4.1: A 10 ASN : amide:sc= -1.92 K(o=-0.69,f=-5.3!) USER MOD Set 4.2: A 15 THR OG1 : rot -78:sc= 1.23 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.186 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.133 USER MOD Single : A 7 MET CE :methyl -166:sc= -0.113 (180deg=-0.319) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.3) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -0.0384 (180deg=-0.288) USER MOD Single : A 22 GLN : amide:sc= 0.348 K(o=0.35,f=-7.5!) USER MOD Single : A 25 ASN : amide:sc= 0.719 K(o=0.72,f=-0.16) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.4) USER MOD Single : A 37 MET CE :methyl 164:sc= -0.0107 (180deg=-0.279) USER MOD Single : A 39 THR OG1 : rot 166:sc= 1.67 USER MOD Single : A 42 SER OG : rot 164:sc= 0.861 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.649 USER MOD Single : A 62 SER OG : rot -140:sc= 0.191 USER MOD Single : A 63 THR OG1 : rot -80:sc= 1.15 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -150:sc= -0.0351 (180deg=-1.75!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.386 K(o=0.39,f=-0.73) USER MOD Single : A 77 THR OG1 : rot 70:sc= 1.06 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -157:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.500 -5.354 -11.394 1.00 0.00 N ATOM 2 CA GLY A 1 14.926 -4.369 -10.396 1.00 0.00 C ATOM 3 C GLY A 1 14.064 -3.126 -10.523 1.00 0.00 C ATOM 4 O GLY A 1 12.985 -3.206 -11.110 1.00 0.00 O ATOM 0 H1 GLY A 1 14.419 -6.289 -10.946 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.577 -5.076 -11.784 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.201 -5.397 -12.161 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.837 -4.787 -9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.976 -4.115 -10.543 1.00 0.00 H new ATOM 7 N ASP A 2 14.552 -2.008 -9.978 1.00 0.00 N ATOM 8 CA ASP A 2 14.212 -0.617 -10.258 1.00 0.00 C ATOM 9 C ASP A 2 12.782 -0.193 -9.955 1.00 0.00 C ATOM 10 O ASP A 2 12.585 0.809 -9.273 1.00 0.00 O ATOM 11 CB ASP A 2 14.707 -0.130 -11.618 1.00 0.00 C ATOM 12 CG ASP A 2 13.693 -0.319 -12.718 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.805 0.551 -12.844 1.00 0.00 O ATOM 14 OD2 ASP A 2 13.809 -1.336 -13.436 1.00 0.00 O ATOM 0 H ASP A 2 15.269 -2.065 -9.255 1.00 0.00 H new ATOM 0 HA ASP A 2 14.789 -0.080 -9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.965 0.927 -11.547 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.621 -0.664 -11.878 1.00 0.00 H new ATOM 19 N GLY A 3 11.780 -0.896 -10.460 1.00 0.00 N ATOM 20 CA GLY A 3 10.433 -0.766 -9.942 1.00 0.00 C ATOM 21 C GLY A 3 10.391 -1.303 -8.511 1.00 0.00 C ATOM 22 O GLY A 3 11.421 -1.695 -7.965 1.00 0.00 O ATOM 0 H GLY A 3 11.877 -1.561 -11.227 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.123 0.279 -9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.734 -1.317 -10.571 1.00 0.00 H new ATOM 26 N TYR A 4 9.227 -1.307 -7.872 1.00 0.00 N ATOM 27 CA TYR A 4 9.114 -1.552 -6.442 1.00 0.00 C ATOM 28 C TYR A 4 7.635 -1.657 -6.102 1.00 0.00 C ATOM 29 O TYR A 4 6.796 -1.502 -6.988 1.00 0.00 O ATOM 30 CB TYR A 4 9.778 -0.400 -5.662 1.00 0.00 C ATOM 31 CG TYR A 4 9.580 0.987 -6.255 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.346 1.652 -6.156 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.623 1.583 -6.981 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.197 2.948 -6.684 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.432 2.820 -7.617 1.00 0.00 C ATOM 36 CZ TYR A 4 9.234 3.525 -7.435 1.00 0.00 C ATOM 37 OH TYR A 4 8.980 4.622 -8.194 1.00 0.00 O ATOM 0 H TYR A 4 8.333 -1.140 -8.334 1.00 0.00 H new ATOM 0 HA TYR A 4 9.621 -2.477 -6.165 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.388 -0.401 -4.644 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.848 -0.599 -5.594 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.510 1.167 -5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.579 1.086 -7.051 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.284 3.499 -6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.208 3.229 -8.247 1.00 0.00 H new ATOM 0 HH TYR A 4 9.801 4.900 -8.651 1.00 0.00 H new ATOM 47 N LEU A 5 7.316 -1.864 -4.828 1.00 0.00 N ATOM 48 CA LEU A 5 6.002 -1.553 -4.301 1.00 0.00 C ATOM 49 C LEU A 5 6.229 -0.879 -2.951 1.00 0.00 C ATOM 50 O LEU A 5 6.328 -1.541 -1.914 1.00 0.00 O ATOM 51 CB LEU A 5 5.109 -2.803 -4.230 1.00 0.00 C ATOM 52 CG LEU A 5 3.673 -2.500 -4.692 1.00 0.00 C ATOM 53 CD1 LEU A 5 3.474 -3.067 -6.103 1.00 0.00 C ATOM 54 CD2 LEU A 5 2.641 -3.075 -3.720 1.00 0.00 C ATOM 0 H LEU A 5 7.961 -2.250 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 5 5.454 -0.876 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.534 -3.590 -4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.091 -3.180 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 5 3.525 -1.420 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.459 -2.857 -6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.186 -2.603 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.636 -4.145 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.637 -2.843 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.763 -4.156 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.786 -2.636 -2.733 1.00 0.00 H new ATOM 66 N ILE A 6 6.378 0.439 -3.003 1.00 0.00 N ATOM 67 CA ILE A 6 6.384 1.318 -1.847 1.00 0.00 C ATOM 68 C ILE A 6 5.072 2.080 -1.903 1.00 0.00 C ATOM 69 O ILE A 6 4.445 2.140 -2.968 1.00 0.00 O ATOM 70 CB ILE A 6 7.584 2.285 -1.888 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.519 3.201 -3.125 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.911 1.524 -1.779 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.859 3.846 -3.486 1.00 0.00 C ATOM 0 H ILE A 6 6.502 0.940 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 6 6.481 0.753 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 6 7.529 2.938 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.164 2.621 -3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.785 3.986 -2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.740 2.231 -1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.939 0.974 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.999 0.825 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.734 4.476 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.207 4.454 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.592 3.068 -3.698 1.00 0.00 H new ATOM 85 N MET A 7 4.666 2.681 -0.792 1.00 0.00 N ATOM 86 CA MET A 7 3.690 3.730 -0.828 1.00 0.00 C ATOM 87 C MET A 7 4.346 5.062 -0.532 1.00 0.00 C ATOM 88 O MET A 7 5.521 5.157 -0.194 1.00 0.00 O ATOM 89 CB MET A 7 2.454 3.371 -0.019 1.00 0.00 C ATOM 90 CG MET A 7 2.621 2.905 1.424 1.00 0.00 C ATOM 91 SD MET A 7 1.130 2.107 2.092 1.00 0.00 S ATOM 92 CE MET A 7 -0.181 3.242 1.580 1.00 0.00 C ATOM 0 H MET A 7 5.006 2.450 0.141 1.00 0.00 H new ATOM 0 HA MET A 7 3.287 3.848 -1.834 1.00 0.00 H new ATOM 0 HB2 MET A 7 1.803 4.245 -0.009 1.00 0.00 H new ATOM 0 HB3 MET A 7 1.925 2.586 -0.559 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.456 2.206 1.480 1.00 0.00 H new ATOM 0 HG3 MET A 7 2.879 3.760 2.048 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.096 3.012 2.126 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.121 4.267 1.794 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.360 3.132 0.510 1.00 0.00 H new ATOM 102 N CYS A 8 3.595 6.116 -0.783 1.00 0.00 N ATOM 103 CA CYS A 8 4.101 7.439 -1.008 1.00 0.00 C ATOM 104 C CYS A 8 3.037 8.430 -0.618 1.00 0.00 C ATOM 105 O CYS A 8 1.862 8.102 -0.477 1.00 0.00 O ATOM 106 CB CYS A 8 4.381 7.643 -2.499 1.00 0.00 C ATOM 107 SG CYS A 8 5.574 6.562 -3.300 1.00 0.00 S ATOM 0 H CYS A 8 2.578 6.063 -0.836 1.00 0.00 H new ATOM 0 HA CYS A 8 5.013 7.575 -0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.435 7.545 -3.031 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.719 8.670 -2.636 1.00 0.00 H new ATOM 112 N LYS A 9 3.454 9.668 -0.438 1.00 0.00 N ATOM 113 CA LYS A 9 2.541 10.768 -0.170 1.00 0.00 C ATOM 114 C LYS A 9 1.952 11.409 -1.411 1.00 0.00 C ATOM 115 O LYS A 9 0.936 12.094 -1.336 1.00 0.00 O ATOM 116 CB LYS A 9 3.271 11.781 0.673 1.00 0.00 C ATOM 117 CG LYS A 9 4.632 12.157 0.079 1.00 0.00 C ATOM 118 CD LYS A 9 4.826 13.647 0.259 1.00 0.00 C ATOM 119 CE LYS A 9 4.019 14.440 -0.785 1.00 0.00 C ATOM 120 NZ LYS A 9 3.857 15.862 -0.431 1.00 0.00 N ATOM 0 H LYS A 9 4.436 9.942 -0.473 1.00 0.00 H new ATOM 0 HA LYS A 9 1.678 10.364 0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.659 12.678 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.413 11.381 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.430 11.606 0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.673 11.892 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.515 13.939 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.884 13.893 0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.516 14.367 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.035 13.985 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.306 16.343 -1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.358 15.939 0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.793 16.309 -0.351 1.00 0.00 H new ATOM 134 N ASN A 10 2.620 11.230 -2.536 1.00 0.00 N ATOM 135 CA ASN A 10 2.148 11.724 -3.820 1.00 0.00 C ATOM 136 C ASN A 10 2.262 10.655 -4.899 1.00 0.00 C ATOM 137 O ASN A 10 2.657 9.524 -4.628 1.00 0.00 O ATOM 138 CB ASN A 10 2.930 12.980 -4.203 1.00 0.00 C ATOM 139 CG ASN A 10 4.344 12.656 -4.671 1.00 0.00 C ATOM 140 OD1 ASN A 10 4.853 11.568 -4.431 1.00 0.00 O ATOM 141 ND2 ASN A 10 4.989 13.576 -5.363 1.00 0.00 N ATOM 0 H ASN A 10 3.511 10.735 -2.587 1.00 0.00 H new ATOM 0 HA ASN A 10 1.092 11.979 -3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.399 13.509 -4.994 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.977 13.652 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.930 13.388 -5.709 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.547 14.476 -5.552 1.00 0.00 H new ATOM 148 N CYS A 11 1.948 11.044 -6.131 1.00 0.00 N ATOM 149 CA CYS A 11 1.930 10.161 -7.293 1.00 0.00 C ATOM 150 C CYS A 11 3.276 10.161 -8.030 1.00 0.00 C ATOM 151 O CYS A 11 3.447 9.471 -9.036 1.00 0.00 O ATOM 152 CB CYS A 11 0.817 10.682 -8.209 1.00 0.00 C ATOM 153 SG CYS A 11 0.378 9.710 -9.655 1.00 0.00 S ATOM 0 H CYS A 11 1.693 12.006 -6.355 1.00 0.00 H new ATOM 0 HA CYS A 11 1.752 9.130 -6.986 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.082 10.803 -7.604 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.106 11.675 -8.552 1.00 0.00 H new ATOM 158 N ASP A 12 4.266 10.881 -7.491 1.00 0.00 N ATOM 159 CA ASP A 12 5.595 11.071 -8.059 1.00 0.00 C ATOM 160 C ASP A 12 6.664 10.846 -6.984 1.00 0.00 C ATOM 161 O ASP A 12 7.088 11.805 -6.335 1.00 0.00 O ATOM 162 CB ASP A 12 5.716 12.491 -8.623 1.00 0.00 C ATOM 163 CG ASP A 12 7.001 12.659 -9.400 1.00 0.00 C ATOM 164 OD1 ASP A 12 7.090 12.076 -10.503 1.00 0.00 O ATOM 165 OD2 ASP A 12 7.899 13.377 -8.922 1.00 0.00 O ATOM 0 H ASP A 12 4.151 11.369 -6.603 1.00 0.00 H new ATOM 0 HA ASP A 12 5.745 10.350 -8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.865 12.702 -9.271 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.683 13.214 -7.808 1.00 0.00 H new ATOM 170 N PRO A 13 7.133 9.603 -6.801 1.00 0.00 N ATOM 171 CA PRO A 13 8.198 9.259 -5.870 1.00 0.00 C ATOM 172 C PRO A 13 9.426 10.164 -5.994 1.00 0.00 C ATOM 173 O PRO A 13 10.170 10.339 -5.029 1.00 0.00 O ATOM 174 CB PRO A 13 8.551 7.797 -6.170 1.00 0.00 C ATOM 175 CG PRO A 13 7.262 7.225 -6.762 1.00 0.00 C ATOM 176 CD PRO A 13 6.655 8.420 -7.492 1.00 0.00 C ATOM 0 HA PRO A 13 7.861 9.400 -4.843 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.381 7.722 -6.872 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.848 7.264 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.464 6.397 -7.442 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.596 6.846 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.958 8.432 -8.539 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.566 8.373 -7.476 1.00 0.00 H new ATOM 184 N ASN A 14 9.665 10.744 -7.172 1.00 0.00 N ATOM 185 CA ASN A 14 10.768 11.676 -7.331 1.00 0.00 C ATOM 186 C ASN A 14 10.570 12.928 -6.479 1.00 0.00 C ATOM 187 O ASN A 14 11.514 13.377 -5.822 1.00 0.00 O ATOM 188 CB ASN A 14 11.003 12.019 -8.801 1.00 0.00 C ATOM 189 CG ASN A 14 12.124 13.038 -8.958 1.00 0.00 C ATOM 190 OD1 ASN A 14 13.012 13.153 -8.114 1.00 0.00 O ATOM 191 ND2 ASN A 14 12.108 13.814 -10.030 1.00 0.00 N ATOM 0 H ASN A 14 9.114 10.584 -8.016 1.00 0.00 H new ATOM 0 HA ASN A 14 11.670 11.182 -6.969 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.252 11.113 -9.353 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.085 12.415 -9.236 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.836 14.516 -10.163 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.367 13.710 -10.724 1.00 0.00 H new ATOM 198 N THR A 15 9.363 13.492 -6.471 1.00 0.00 N ATOM 199 CA THR A 15 9.054 14.675 -5.671 1.00 0.00 C ATOM 200 C THR A 15 8.237 14.378 -4.412 1.00 0.00 C ATOM 201 O THR A 15 7.776 15.309 -3.752 1.00 0.00 O ATOM 202 CB THR A 15 8.402 15.754 -6.544 1.00 0.00 C ATOM 203 OG1 THR A 15 7.199 15.277 -7.110 1.00 0.00 O ATOM 204 CG2 THR A 15 9.341 16.189 -7.669 1.00 0.00 C ATOM 0 H THR A 15 8.575 13.143 -7.017 1.00 0.00 H new ATOM 0 HA THR A 15 10.004 15.056 -5.297 1.00 0.00 H new ATOM 0 HB THR A 15 8.190 16.609 -5.903 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.404 14.695 -7.871 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.855 16.955 -8.273 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.259 16.593 -7.241 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.580 15.330 -8.296 1.00 0.00 H new ATOM 212 N GLY A 16 8.132 13.113 -4.016 1.00 0.00 N ATOM 213 CA GLY A 16 7.516 12.702 -2.765 1.00 0.00 C ATOM 214 C GLY A 16 8.299 11.609 -2.050 1.00 0.00 C ATOM 215 O GLY A 16 8.694 10.612 -2.651 1.00 0.00 O ATOM 0 H GLY A 16 8.481 12.331 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.427 13.567 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.505 12.347 -2.963 1.00 0.00 H new ATOM 219 N SER A 17 8.474 11.760 -0.738 1.00 0.00 N ATOM 220 CA SER A 17 8.991 10.691 0.098 1.00 0.00 C ATOM 221 C SER A 17 8.018 9.515 0.095 1.00 0.00 C ATOM 222 O SER A 17 6.799 9.687 0.187 1.00 0.00 O ATOM 223 CB SER A 17 9.224 11.193 1.530 1.00 0.00 C ATOM 224 OG SER A 17 10.529 11.731 1.621 1.00 0.00 O ATOM 0 H SER A 17 8.262 12.621 -0.233 1.00 0.00 H new ATOM 0 HA SER A 17 9.947 10.358 -0.306 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.485 11.951 1.788 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.103 10.375 2.240 1.00 0.00 H new ATOM 0 HG SER A 17 10.686 12.056 2.532 1.00 0.00 H new ATOM 230 N CYS A 18 8.577 8.316 0.001 1.00 0.00 N ATOM 231 CA CYS A 18 7.864 7.067 -0.067 1.00 0.00 C ATOM 232 C CYS A 18 8.479 6.141 0.959 1.00 0.00 C ATOM 233 O CYS A 18 9.632 6.371 1.341 1.00 0.00 O ATOM 234 CB CYS A 18 8.090 6.479 -1.447 1.00 0.00 C ATOM 235 SG CYS A 18 7.430 7.389 -2.853 1.00 0.00 S ATOM 0 H CYS A 18 9.589 8.192 -0.031 1.00 0.00 H new ATOM 0 HA CYS A 18 6.799 7.201 0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.164 6.366 -1.593 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.659 5.478 -1.461 1.00 0.00 H new ATOM 240 N ASP A 19 7.757 5.122 1.429 1.00 0.00 N ATOM 241 CA ASP A 19 8.365 4.189 2.354 1.00 0.00 C ATOM 242 C ASP A 19 9.123 3.098 1.604 1.00 0.00 C ATOM 243 O ASP A 19 8.652 1.996 1.349 1.00 0.00 O ATOM 244 CB ASP A 19 7.359 3.682 3.379 1.00 0.00 C ATOM 245 CG ASP A 19 6.183 2.875 2.866 1.00 0.00 C ATOM 246 OD1 ASP A 19 5.889 2.918 1.658 1.00 0.00 O ATOM 247 OD2 ASP A 19 5.527 2.270 3.747 1.00 0.00 O ATOM 0 H ASP A 19 6.784 4.932 1.190 1.00 0.00 H new ATOM 0 HA ASP A 19 9.118 4.710 2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.896 3.070 4.103 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.966 4.543 3.919 1.00 0.00 H new ATOM 252 N TRP A 20 10.411 3.372 1.434 1.00 0.00 N ATOM 253 CA TRP A 20 11.439 2.457 0.959 1.00 0.00 C ATOM 254 C TRP A 20 11.917 1.653 2.165 1.00 0.00 C ATOM 255 O TRP A 20 13.103 1.596 2.487 1.00 0.00 O ATOM 256 CB TRP A 20 12.590 3.261 0.342 1.00 0.00 C ATOM 257 CG TRP A 20 12.242 4.128 -0.830 1.00 0.00 C ATOM 258 CD1 TRP A 20 11.891 5.432 -0.781 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.281 3.782 -2.244 1.00 0.00 C ATOM 260 NE1 TRP A 20 11.703 5.912 -2.061 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.958 4.942 -3.005 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.560 2.601 -2.958 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.938 4.934 -4.405 1.00 0.00 C ATOM 264 CZ3 TRP A 20 12.581 2.591 -4.363 1.00 0.00 C ATOM 265 CH2 TRP A 20 12.311 3.766 -5.085 1.00 0.00 C ATOM 0 H TRP A 20 10.788 4.298 1.637 1.00 0.00 H new ATOM 0 HA TRP A 20 11.055 1.785 0.192 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.021 3.893 1.119 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.367 2.563 0.032 1.00 0.00 H new ATOM 0 HD1 TRP A 20 11.775 6.011 0.123 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.412 6.865 -2.280 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.761 1.688 -2.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.639 5.815 -4.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.806 1.676 -4.891 1.00 0.00 H new ATOM 0 HH2 TRP A 20 12.391 3.769 -6.162 1.00 0.00 H new ATOM 276 N LYS A 21 10.958 1.086 2.884 1.00 0.00 N ATOM 277 CA LYS A 21 11.149 0.309 4.093 1.00 0.00 C ATOM 278 C LYS A 21 10.617 -1.096 3.846 1.00 0.00 C ATOM 279 O LYS A 21 10.267 -1.434 2.713 1.00 0.00 O ATOM 280 CB LYS A 21 10.470 1.046 5.260 1.00 0.00 C ATOM 281 CG LYS A 21 11.377 1.185 6.489 1.00 0.00 C ATOM 282 CD LYS A 21 12.640 2.003 6.193 1.00 0.00 C ATOM 283 CE LYS A 21 13.311 2.442 7.496 1.00 0.00 C ATOM 284 NZ LYS A 21 12.531 3.484 8.185 1.00 0.00 N ATOM 0 H LYS A 21 9.975 1.162 2.622 1.00 0.00 H new ATOM 0 HA LYS A 21 12.200 0.204 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.164 2.038 4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.564 0.511 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.820 1.661 7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.663 0.194 6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.336 1.408 5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.382 2.878 5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.428 1.580 8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.311 2.818 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.136 3.969 8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.180 4.173 7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.725 3.047 8.676 1.00 0.00 H new ATOM 298 N GLN A 22 10.592 -1.934 4.884 1.00 0.00 N ATOM 299 CA GLN A 22 9.849 -3.168 4.744 1.00 0.00 C ATOM 300 C GLN A 22 8.380 -2.788 4.741 1.00 0.00 C ATOM 301 O GLN A 22 7.943 -1.921 5.505 1.00 0.00 O ATOM 302 CB GLN A 22 10.131 -4.139 5.896 1.00 0.00 C ATOM 303 CG GLN A 22 9.477 -5.514 5.735 1.00 0.00 C ATOM 304 CD GLN A 22 9.849 -6.114 4.396 1.00 0.00 C ATOM 305 OE1 GLN A 22 9.123 -5.920 3.426 1.00 0.00 O ATOM 306 NE2 GLN A 22 11.003 -6.757 4.318 1.00 0.00 N ATOM 0 H GLN A 22 11.054 -1.787 5.782 1.00 0.00 H new ATOM 0 HA GLN A 22 10.143 -3.677 3.826 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.209 -4.271 5.989 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.783 -3.691 6.827 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.799 -6.175 6.540 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.394 -5.421 5.812 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.569 -6.892 5.156 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.326 -7.118 3.420 1.00 0.00 H new ATOM 315 N ASN A 23 7.639 -3.514 3.922 1.00 0.00 N ATOM 316 CA ASN A 23 6.282 -3.179 3.529 1.00 0.00 C ATOM 317 C ASN A 23 5.475 -4.456 3.330 1.00 0.00 C ATOM 318 O ASN A 23 4.366 -4.391 2.798 1.00 0.00 O ATOM 319 CB ASN A 23 6.305 -2.398 2.202 1.00 0.00 C ATOM 320 CG ASN A 23 7.011 -1.044 2.240 1.00 0.00 C ATOM 321 OD1 ASN A 23 7.238 -0.464 3.300 1.00 0.00 O ATOM 322 ND2 ASN A 23 7.371 -0.528 1.074 1.00 0.00 N ATOM 0 H ASN A 23 7.976 -4.379 3.499 1.00 0.00 H new ATOM 0 HA ASN A 23 5.827 -2.571 4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.788 -3.017 1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.277 -2.241 1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.849 0.372 1.041 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.170 -1.031 0.210 1.00 0.00 H new ATOM 329 N TRP A 24 6.037 -5.632 3.638 1.00 0.00 N ATOM 330 CA TRP A 24 5.495 -6.888 3.207 1.00 0.00 C ATOM 331 C TRP A 24 4.296 -7.222 4.119 1.00 0.00 C ATOM 332 O TRP A 24 3.739 -6.341 4.765 1.00 0.00 O ATOM 333 CB TRP A 24 6.692 -7.845 3.130 1.00 0.00 C ATOM 334 CG TRP A 24 6.394 -9.292 3.110 1.00 0.00 C ATOM 335 CD1 TRP A 24 6.443 -10.029 4.226 1.00 0.00 C ATOM 336 CD2 TRP A 24 5.709 -10.091 2.109 1.00 0.00 C ATOM 337 NE1 TRP A 24 5.863 -11.263 3.986 1.00 0.00 N ATOM 338 CE2 TRP A 24 5.361 -11.344 2.694 1.00 0.00 C ATOM 339 CE3 TRP A 24 5.222 -9.821 0.817 1.00 0.00 C ATOM 340 CZ2 TRP A 24 4.599 -12.298 1.996 1.00 0.00 C ATOM 341 CZ3 TRP A 24 4.422 -10.745 0.132 1.00 0.00 C ATOM 342 CH2 TRP A 24 4.124 -11.989 0.706 1.00 0.00 C ATOM 0 H TRP A 24 6.885 -5.719 4.198 1.00 0.00 H new ATOM 0 HA TRP A 24 5.046 -6.930 2.215 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.261 -7.604 2.232 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.341 -7.645 3.982 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.868 -9.711 5.166 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.811 -12.017 4.671 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.470 -8.882 0.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.380 -13.256 2.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.032 -10.497 -0.844 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.532 -12.709 0.161 1.00 0.00 H new ATOM 353 N ASN A 25 3.829 -8.464 4.145 1.00 0.00 N ATOM 354 CA ASN A 25 2.771 -9.014 4.970 1.00 0.00 C ATOM 355 C ASN A 25 3.206 -9.059 6.435 1.00 0.00 C ATOM 356 O ASN A 25 3.297 -10.106 7.069 1.00 0.00 O ATOM 357 CB ASN A 25 2.413 -10.409 4.456 1.00 0.00 C ATOM 358 CG ASN A 25 1.138 -10.896 5.119 1.00 0.00 C ATOM 359 OD1 ASN A 25 1.168 -11.682 6.063 1.00 0.00 O ATOM 360 ND2 ASN A 25 0.000 -10.403 4.654 1.00 0.00 N ATOM 0 H ASN A 25 4.222 -9.176 3.529 1.00 0.00 H new ATOM 0 HA ASN A 25 1.888 -8.378 4.910 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.283 -10.384 3.374 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.228 -11.102 4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.886 -10.674 5.081 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.009 -9.752 3.869 1.00 0.00 H new ATOM 367 N THR A 26 3.479 -7.884 6.970 1.00 0.00 N ATOM 368 CA THR A 26 3.995 -7.618 8.299 1.00 0.00 C ATOM 369 C THR A 26 3.281 -6.355 8.774 1.00 0.00 C ATOM 370 O THR A 26 2.822 -5.578 7.945 1.00 0.00 O ATOM 371 CB THR A 26 5.535 -7.534 8.256 1.00 0.00 C ATOM 372 OG1 THR A 26 6.099 -6.982 9.434 1.00 0.00 O ATOM 373 CG2 THR A 26 6.098 -6.790 7.047 1.00 0.00 C ATOM 0 H THR A 26 3.334 -7.022 6.444 1.00 0.00 H new ATOM 0 HA THR A 26 3.796 -8.412 9.019 1.00 0.00 H new ATOM 0 HB THR A 26 5.830 -8.580 8.171 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.075 -6.956 9.348 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.187 -6.781 7.100 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.784 -7.292 6.132 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.726 -5.765 7.045 1.00 0.00 H new ATOM 381 N CYS A 27 3.071 -6.220 10.081 1.00 0.00 N ATOM 382 CA CYS A 27 2.150 -5.265 10.698 1.00 0.00 C ATOM 383 C CYS A 27 2.682 -3.831 10.616 1.00 0.00 C ATOM 384 O CYS A 27 3.131 -3.267 11.617 1.00 0.00 O ATOM 385 CB CYS A 27 1.907 -5.694 12.147 1.00 0.00 C ATOM 386 SG CYS A 27 0.558 -4.833 12.979 1.00 0.00 S ATOM 0 H CYS A 27 3.557 -6.796 10.768 1.00 0.00 H new ATOM 0 HA CYS A 27 1.206 -5.269 10.154 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.700 -6.764 12.164 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.824 -5.537 12.715 1.00 0.00 H new ATOM 391 N VAL A 28 2.709 -3.270 9.409 1.00 0.00 N ATOM 392 CA VAL A 28 3.440 -2.057 9.091 1.00 0.00 C ATOM 393 C VAL A 28 2.514 -0.849 9.237 1.00 0.00 C ATOM 394 O VAL A 28 1.456 -0.781 8.613 1.00 0.00 O ATOM 395 CB VAL A 28 4.034 -2.204 7.679 1.00 0.00 C ATOM 396 CG1 VAL A 28 4.593 -0.896 7.124 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.195 -3.208 7.709 1.00 0.00 C ATOM 0 H VAL A 28 2.210 -3.660 8.610 1.00 0.00 H new ATOM 0 HA VAL A 28 4.268 -1.895 9.781 1.00 0.00 H new ATOM 0 HB VAL A 28 3.215 -2.536 7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.997 -1.067 6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.797 -0.154 7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.385 -0.532 7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.614 -3.310 6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.967 -2.851 8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.830 -4.177 8.050 1.00 0.00 H new ATOM 407 N GLY A 29 2.922 0.125 10.050 1.00 0.00 N ATOM 408 CA GLY A 29 2.243 1.389 10.199 1.00 0.00 C ATOM 409 C GLY A 29 2.600 2.319 9.044 1.00 0.00 C ATOM 410 O GLY A 29 3.782 2.520 8.748 1.00 0.00 O ATOM 0 H GLY A 29 3.755 0.044 10.633 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.165 1.230 10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.522 1.850 11.146 1.00 0.00 H new ATOM 414 N ILE A 30 1.585 2.936 8.449 1.00 0.00 N ATOM 415 CA ILE A 30 1.734 4.017 7.487 1.00 0.00 C ATOM 416 C ILE A 30 1.890 5.282 8.326 1.00 0.00 C ATOM 417 O ILE A 30 1.411 5.335 9.462 1.00 0.00 O ATOM 418 CB ILE A 30 0.480 4.110 6.584 1.00 0.00 C ATOM 419 CG1 ILE A 30 0.325 2.834 5.740 1.00 0.00 C ATOM 420 CG2 ILE A 30 0.542 5.334 5.657 1.00 0.00 C ATOM 421 CD1 ILE A 30 -1.034 2.744 5.034 1.00 0.00 C ATOM 0 H ILE A 30 0.611 2.690 8.628 1.00 0.00 H new ATOM 0 HA ILE A 30 2.587 3.863 6.826 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.384 4.218 7.240 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.119 2.800 4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.453 1.962 6.382 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.354 5.367 5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.602 6.242 6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.422 5.262 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.083 1.822 4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.831 2.748 5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.155 3.598 4.368 1.00 0.00 H new ATOM 433 N GLY A 31 2.559 6.299 7.795 1.00 0.00 N ATOM 434 CA GLY A 31 2.609 7.585 8.449 1.00 0.00 C ATOM 435 C GLY A 31 2.991 8.660 7.446 1.00 0.00 C ATOM 436 O GLY A 31 3.603 8.375 6.419 1.00 0.00 O ATOM 0 H GLY A 31 3.071 6.250 6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.640 7.816 8.891 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.333 7.561 9.263 1.00 0.00 H new ATOM 440 N ALA A 32 2.648 9.893 7.785 1.00 0.00 N ATOM 441 CA ALA A 32 3.049 11.124 7.140 1.00 0.00 C ATOM 442 C ALA A 32 2.488 11.356 5.766 1.00 0.00 C ATOM 443 O ALA A 32 3.216 11.371 4.777 1.00 0.00 O ATOM 444 CB ALA A 32 4.558 11.358 7.224 1.00 0.00 C ATOM 0 H ALA A 32 2.034 10.067 8.581 1.00 0.00 H new ATOM 0 HA ALA A 32 2.568 11.902 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.809 12.294 6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.860 11.411 8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.081 10.536 6.736 1.00 0.00 H new ATOM 450 N ASN A 33 1.173 11.601 5.728 1.00 0.00 N ATOM 451 CA ASN A 33 0.430 11.942 4.523 1.00 0.00 C ATOM 452 C ASN A 33 0.711 10.976 3.377 1.00 0.00 C ATOM 453 O ASN A 33 0.365 11.254 2.235 1.00 0.00 O ATOM 454 CB ASN A 33 0.565 13.430 4.149 1.00 0.00 C ATOM 455 CG ASN A 33 1.984 13.989 4.115 1.00 0.00 C ATOM 456 OD1 ASN A 33 2.561 14.272 5.164 1.00 0.00 O ATOM 457 ND2 ASN A 33 2.538 14.242 2.942 1.00 0.00 N ATOM 0 H ASN A 33 0.586 11.565 6.561 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.628 11.809 4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.114 13.579 3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.017 14.016 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.459 14.679 2.896 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.045 14.000 2.082 1.00 0.00 H new ATOM 464 N VAL A 34 1.229 9.794 3.710 1.00 0.00 N ATOM 465 CA VAL A 34 1.458 8.723 2.744 1.00 0.00 C ATOM 466 C VAL A 34 0.087 8.139 2.387 1.00 0.00 C ATOM 467 O VAL A 34 -0.578 7.557 3.242 1.00 0.00 O ATOM 468 CB VAL A 34 2.415 7.689 3.363 1.00 0.00 C ATOM 469 CG1 VAL A 34 2.404 6.348 2.628 1.00 0.00 C ATOM 470 CG2 VAL A 34 3.853 8.216 3.326 1.00 0.00 C ATOM 0 H VAL A 34 1.502 9.553 4.663 1.00 0.00 H new ATOM 0 HA VAL A 34 1.932 9.076 1.828 1.00 0.00 H new ATOM 0 HB VAL A 34 2.067 7.533 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.099 5.662 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.399 5.926 2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.706 6.499 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.523 7.477 3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.146 8.401 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.915 9.145 3.893 1.00 0.00 H new ATOM 480 N HIS A 35 -0.368 8.361 1.151 1.00 0.00 N ATOM 481 CA HIS A 35 -1.683 7.942 0.680 1.00 0.00 C ATOM 482 C HIS A 35 -1.685 7.549 -0.801 1.00 0.00 C ATOM 483 O HIS A 35 -2.701 7.634 -1.490 1.00 0.00 O ATOM 484 CB HIS A 35 -2.712 9.013 1.069 1.00 0.00 C ATOM 485 CG HIS A 35 -2.992 10.108 0.078 1.00 0.00 C ATOM 486 ND1 HIS A 35 -4.104 10.136 -0.728 1.00 0.00 N ATOM 487 CD2 HIS A 35 -2.360 11.315 -0.037 1.00 0.00 C ATOM 488 CE1 HIS A 35 -4.152 11.342 -1.312 1.00 0.00 C ATOM 489 NE2 HIS A 35 -3.105 12.098 -0.930 1.00 0.00 N ATOM 0 H HIS A 35 0.180 8.846 0.440 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.976 7.016 1.176 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.654 8.509 1.287 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.377 9.478 1.996 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.772 9.377 -0.859 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.452 11.611 0.468 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.924 11.663 -1.995 1.00 0.00 H new ATOM 497 N TRP A 36 -0.540 7.113 -1.312 1.00 0.00 N ATOM 498 CA TRP A 36 -0.419 6.692 -2.706 1.00 0.00 C ATOM 499 C TRP A 36 0.432 5.443 -2.779 1.00 0.00 C ATOM 500 O TRP A 36 1.585 5.498 -2.394 1.00 0.00 O ATOM 501 CB TRP A 36 0.263 7.789 -3.512 1.00 0.00 C ATOM 502 CG TRP A 36 -0.538 9.036 -3.623 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.747 9.928 -2.637 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.371 9.457 -4.731 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.654 10.868 -3.059 1.00 0.00 N ATOM 506 CE2 TRP A 36 -2.067 10.640 -4.353 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.648 8.918 -5.998 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.981 11.275 -5.206 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.575 9.534 -6.854 1.00 0.00 C ATOM 510 CH2 TRP A 36 -3.237 10.713 -6.467 1.00 0.00 C ATOM 0 H TRP A 36 0.326 7.041 -0.778 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.413 6.496 -3.109 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.222 8.024 -3.050 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.475 7.414 -4.513 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.275 9.907 -1.666 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.983 11.643 -2.483 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.142 8.019 -6.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.480 12.182 -4.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.782 9.098 -7.820 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.940 11.185 -7.138 1.00 0.00 H new ATOM 521 N MET A 37 -0.066 4.337 -3.309 1.00 0.00 N ATOM 522 CA MET A 37 0.810 3.212 -3.589 1.00 0.00 C ATOM 523 C MET A 37 1.422 3.527 -4.947 1.00 0.00 C ATOM 524 O MET A 37 0.698 3.969 -5.840 1.00 0.00 O ATOM 525 CB MET A 37 0.005 1.905 -3.610 1.00 0.00 C ATOM 526 CG MET A 37 0.882 0.664 -3.821 1.00 0.00 C ATOM 527 SD MET A 37 1.890 0.159 -2.403 1.00 0.00 S ATOM 528 CE MET A 37 0.601 -0.372 -1.256 1.00 0.00 C ATOM 0 H MET A 37 -1.047 4.195 -3.549 1.00 0.00 H new ATOM 0 HA MET A 37 1.581 3.074 -2.831 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.538 1.804 -2.670 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.740 1.956 -4.404 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.238 -0.170 -4.100 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.545 0.851 -4.666 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.046 -0.968 -0.459 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.114 0.503 -0.826 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.136 -0.972 -1.790 1.00 0.00 H new ATOM 538 N VAL A 38 2.732 3.351 -5.111 1.00 0.00 N ATOM 539 CA VAL A 38 3.377 3.583 -6.393 1.00 0.00 C ATOM 540 C VAL A 38 4.241 2.364 -6.681 1.00 0.00 C ATOM 541 O VAL A 38 5.097 1.986 -5.884 1.00 0.00 O ATOM 542 CB VAL A 38 4.137 4.918 -6.417 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.470 5.255 -7.873 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.290 6.071 -5.856 1.00 0.00 C ATOM 0 H VAL A 38 3.364 3.048 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 38 2.645 3.692 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 38 5.030 4.809 -5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.011 6.201 -7.913 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.089 4.465 -8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.547 5.340 -8.447 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.866 6.996 -5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.386 6.183 -6.454 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.017 5.853 -4.824 1.00 0.00 H new ATOM 554 N THR A 39 3.958 1.691 -7.788 1.00 0.00 N ATOM 555 CA THR A 39 4.347 0.316 -7.999 1.00 0.00 C ATOM 556 C THR A 39 5.534 0.251 -8.956 1.00 0.00 C ATOM 557 O THR A 39 5.576 -0.545 -9.898 1.00 0.00 O ATOM 558 CB THR A 39 3.104 -0.404 -8.515 1.00 0.00 C ATOM 559 OG1 THR A 39 2.667 0.228 -9.700 1.00 0.00 O ATOM 560 CG2 THR A 39 1.970 -0.299 -7.489 1.00 0.00 C ATOM 0 H THR A 39 3.445 2.096 -8.571 1.00 0.00 H new ATOM 0 HA THR A 39 4.688 -0.172 -7.086 1.00 0.00 H new ATOM 0 HB THR A 39 3.353 -1.450 -8.693 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.023 -0.350 -10.161 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.088 -0.816 -7.867 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.284 -0.757 -6.551 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.730 0.750 -7.318 1.00 0.00 H new ATOM 568 N GLY A 40 6.518 1.113 -8.723 1.00 0.00 N ATOM 569 CA GLY A 40 7.656 1.229 -9.603 1.00 0.00 C ATOM 570 C GLY A 40 7.327 2.088 -10.810 1.00 0.00 C ATOM 571 O GLY A 40 6.415 2.918 -10.786 1.00 0.00 O ATOM 0 H GLY A 40 6.542 1.744 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.496 1.664 -9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.968 0.238 -9.932 1.00 0.00 H new ATOM 575 N GLY A 41 8.064 1.840 -11.887 1.00 0.00 N ATOM 576 CA GLY A 41 7.924 2.559 -13.137 1.00 0.00 C ATOM 577 C GLY A 41 8.557 1.773 -14.285 1.00 0.00 C ATOM 578 O GLY A 41 8.935 2.359 -15.294 1.00 0.00 O ATOM 0 H GLY A 41 8.786 1.120 -11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.868 2.732 -13.347 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.397 3.537 -13.055 1.00 0.00 H new ATOM 582 N SER A 42 8.703 0.452 -14.124 1.00 0.00 N ATOM 583 CA SER A 42 9.390 -0.405 -15.083 1.00 0.00 C ATOM 584 C SER A 42 8.373 -1.311 -15.770 1.00 0.00 C ATOM 585 O SER A 42 8.265 -1.275 -16.991 1.00 0.00 O ATOM 586 CB SER A 42 10.513 -1.195 -14.398 1.00 0.00 C ATOM 587 OG SER A 42 11.716 -0.987 -15.116 1.00 0.00 O ATOM 0 H SER A 42 8.342 -0.052 -13.314 1.00 0.00 H new ATOM 0 HA SER A 42 9.866 0.206 -15.850 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.628 -0.869 -13.364 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.267 -2.257 -14.372 1.00 0.00 H new ATOM 0 HG SER A 42 12.478 -1.263 -14.565 1.00 0.00 H new ATOM 593 N THR A 43 7.633 -2.080 -14.964 1.00 0.00 N ATOM 594 CA THR A 43 6.519 -2.977 -15.267 1.00 0.00 C ATOM 595 C THR A 43 6.844 -4.359 -14.701 1.00 0.00 C ATOM 596 O THR A 43 5.997 -5.032 -14.111 1.00 0.00 O ATOM 597 CB THR A 43 6.098 -3.015 -16.753 1.00 0.00 C ATOM 598 OG1 THR A 43 4.756 -3.447 -16.859 1.00 0.00 O ATOM 599 CG2 THR A 43 6.985 -3.941 -17.601 1.00 0.00 C ATOM 0 H THR A 43 7.827 -2.087 -13.963 1.00 0.00 H new ATOM 0 HA THR A 43 5.629 -2.578 -14.780 1.00 0.00 H new ATOM 0 HB THR A 43 6.212 -2.002 -17.138 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.173 -2.824 -16.377 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.641 -3.927 -18.635 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.018 -3.596 -17.557 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.925 -4.958 -17.213 1.00 0.00 H new ATOM 607 N ASP A 44 8.098 -4.784 -14.832 1.00 0.00 N ATOM 608 CA ASP A 44 8.546 -6.148 -14.614 1.00 0.00 C ATOM 609 C ASP A 44 8.767 -6.411 -13.119 1.00 0.00 C ATOM 610 O ASP A 44 9.623 -7.201 -12.731 1.00 0.00 O ATOM 611 CB ASP A 44 9.852 -6.384 -15.397 1.00 0.00 C ATOM 612 CG ASP A 44 10.815 -5.216 -15.455 1.00 0.00 C ATOM 613 OD1 ASP A 44 10.411 -4.129 -15.914 1.00 0.00 O ATOM 614 OD2 ASP A 44 11.974 -5.411 -15.034 1.00 0.00 O ATOM 0 H ASP A 44 8.857 -4.159 -15.104 1.00 0.00 H new ATOM 0 HA ASP A 44 7.780 -6.837 -14.969 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.370 -7.234 -14.952 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.594 -6.667 -16.418 1.00 0.00 H new ATOM 619 N GLY A 45 7.951 -5.791 -12.274 1.00 0.00 N ATOM 620 CA GLY A 45 7.845 -6.083 -10.860 1.00 0.00 C ATOM 621 C GLY A 45 6.658 -7.007 -10.606 1.00 0.00 C ATOM 622 O GLY A 45 6.634 -7.694 -9.594 1.00 0.00 O ATOM 0 H GLY A 45 7.324 -5.044 -12.572 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.764 -6.552 -10.507 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.723 -5.158 -10.297 1.00 0.00 H new ATOM 626 N LYS A 46 5.689 -7.016 -11.524 1.00 0.00 N ATOM 627 CA LYS A 46 4.359 -7.574 -11.384 1.00 0.00 C ATOM 628 C LYS A 46 3.506 -6.797 -10.386 1.00 0.00 C ATOM 629 O LYS A 46 4.021 -6.111 -9.503 1.00 0.00 O ATOM 630 CB LYS A 46 4.379 -9.050 -11.012 1.00 0.00 C ATOM 631 CG LYS A 46 5.269 -9.895 -11.924 1.00 0.00 C ATOM 632 CD LYS A 46 4.680 -11.307 -12.034 1.00 0.00 C ATOM 633 CE LYS A 46 4.479 -12.002 -10.677 1.00 0.00 C ATOM 634 NZ LYS A 46 5.745 -12.448 -10.070 1.00 0.00 N ATOM 0 H LYS A 46 5.832 -6.603 -12.446 1.00 0.00 H new ATOM 0 HA LYS A 46 3.902 -7.482 -12.369 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.724 -9.153 -9.983 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.362 -9.440 -11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.337 -9.438 -12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.282 -9.940 -11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.721 -11.252 -12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.338 -11.918 -12.651 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.976 -11.317 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.822 -12.862 -10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.550 -12.909 -9.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.216 -13.123 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.365 -11.627 -9.917 1.00 0.00 H new ATOM 648 N GLN A 47 2.193 -6.931 -10.550 1.00 0.00 N ATOM 649 CA GLN A 47 1.193 -6.312 -9.707 1.00 0.00 C ATOM 650 C GLN A 47 1.413 -6.641 -8.236 1.00 0.00 C ATOM 651 O GLN A 47 1.839 -7.749 -7.903 1.00 0.00 O ATOM 652 CB GLN A 47 -0.200 -6.747 -10.175 1.00 0.00 C ATOM 653 CG GLN A 47 -0.490 -8.246 -10.058 1.00 0.00 C ATOM 654 CD GLN A 47 -1.915 -8.480 -10.526 1.00 0.00 C ATOM 655 OE1 GLN A 47 -2.846 -8.459 -9.725 1.00 0.00 O ATOM 656 NE2 GLN A 47 -2.128 -8.607 -11.825 1.00 0.00 N ATOM 0 H GLN A 47 1.790 -7.493 -11.300 1.00 0.00 H new ATOM 0 HA GLN A 47 1.279 -5.229 -9.798 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.946 -6.203 -9.596 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.325 -6.449 -11.216 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.211 -8.819 -10.665 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.366 -8.580 -9.028 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.340 -8.622 -12.472 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.081 -8.690 -12.180 1.00 0.00 H new ATOM 665 N GLY A 48 1.092 -5.697 -7.360 1.00 0.00 N ATOM 666 CA GLY A 48 1.192 -5.876 -5.929 1.00 0.00 C ATOM 667 C GLY A 48 -0.161 -5.609 -5.305 1.00 0.00 C ATOM 668 O GLY A 48 -0.832 -4.633 -5.656 1.00 0.00 O ATOM 0 H GLY A 48 0.751 -4.776 -7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.520 -6.889 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.938 -5.197 -5.516 1.00 0.00 H new ATOM 672 N CYS A 49 -0.567 -6.458 -4.370 1.00 0.00 N ATOM 673 CA CYS A 49 -1.788 -6.264 -3.632 1.00 0.00 C ATOM 674 C CYS A 49 -1.438 -6.228 -2.167 1.00 0.00 C ATOM 675 O CYS A 49 -0.455 -6.834 -1.734 1.00 0.00 O ATOM 676 CB CYS A 49 -2.800 -7.358 -3.931 1.00 0.00 C ATOM 677 SG CYS A 49 -3.213 -7.599 -5.677 1.00 0.00 S ATOM 0 H CYS A 49 -0.052 -7.299 -4.109 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.256 -5.326 -3.929 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.417 -8.299 -3.535 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.718 -7.135 -3.388 1.00 0.00 H new ATOM 682 N ALA A 50 -2.229 -5.479 -1.416 1.00 0.00 N ATOM 683 CA ALA A 50 -1.931 -5.152 -0.037 1.00 0.00 C ATOM 684 C ALA A 50 -3.223 -5.016 0.745 1.00 0.00 C ATOM 685 O ALA A 50 -4.166 -4.392 0.264 1.00 0.00 O ATOM 686 CB ALA A 50 -1.136 -3.843 0.018 1.00 0.00 C ATOM 0 H ALA A 50 -3.104 -5.078 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.333 -5.948 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.912 -3.597 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.205 -3.959 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.725 -3.041 -0.426 1.00 0.00 H new ATOM 692 N THR A 51 -3.255 -5.572 1.949 1.00 0.00 N ATOM 693 CA THR A 51 -4.343 -5.362 2.885 1.00 0.00 C ATOM 694 C THR A 51 -3.999 -4.139 3.720 1.00 0.00 C ATOM 695 O THR A 51 -2.972 -4.116 4.392 1.00 0.00 O ATOM 696 CB THR A 51 -4.627 -6.639 3.679 1.00 0.00 C ATOM 697 OG1 THR A 51 -4.824 -7.656 2.715 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.878 -6.472 4.553 1.00 0.00 C ATOM 0 H THR A 51 -2.520 -6.185 2.302 1.00 0.00 H new ATOM 0 HA THR A 51 -5.286 -5.153 2.381 1.00 0.00 H new ATOM 0 HB THR A 51 -3.805 -6.879 4.354 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.010 -8.505 3.168 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.060 -7.392 5.108 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.726 -5.650 5.253 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.738 -6.254 3.920 1.00 0.00 H new ATOM 706 N ILE A 52 -4.821 -3.103 3.615 1.00 0.00 N ATOM 707 CA ILE A 52 -4.609 -1.786 4.181 1.00 0.00 C ATOM 708 C ILE A 52 -5.561 -1.651 5.373 1.00 0.00 C ATOM 709 O ILE A 52 -6.708 -2.094 5.280 1.00 0.00 O ATOM 710 CB ILE A 52 -4.866 -0.761 3.060 1.00 0.00 C ATOM 711 CG1 ILE A 52 -3.839 -0.952 1.923 1.00 0.00 C ATOM 712 CG2 ILE A 52 -4.811 0.666 3.596 1.00 0.00 C ATOM 713 CD1 ILE A 52 -3.932 0.105 0.818 1.00 0.00 C ATOM 0 H ILE A 52 -5.701 -3.167 3.103 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.597 -1.618 4.549 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.868 -0.930 2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.835 -0.933 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.980 -1.938 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.996 1.368 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.571 0.795 4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.826 0.857 4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.179 -0.097 0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.923 0.072 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.760 1.093 1.244 1.00 0.00 H new ATOM 725 N TRP A 53 -5.091 -1.081 6.488 1.00 0.00 N ATOM 726 CA TRP A 53 -5.824 -0.938 7.741 1.00 0.00 C ATOM 727 C TRP A 53 -5.945 0.524 8.193 1.00 0.00 C ATOM 728 O TRP A 53 -5.186 1.408 7.783 1.00 0.00 O ATOM 729 CB TRP A 53 -5.156 -1.754 8.867 1.00 0.00 C ATOM 730 CG TRP A 53 -5.557 -3.190 9.032 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.589 -3.654 9.773 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.967 -4.367 8.421 1.00 0.00 C ATOM 733 NE1 TRP A 53 -6.671 -5.025 9.666 1.00 0.00 N ATOM 734 CE2 TRP A 53 -5.692 -5.522 8.838 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.912 -4.565 7.519 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -5.374 -6.814 8.394 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -3.608 -5.847 7.045 1.00 0.00 C ATOM 738 CH2 TRP A 53 -4.309 -6.977 7.497 1.00 0.00 C ATOM 0 H TRP A 53 -4.150 -0.692 6.539 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.827 -1.319 7.547 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.078 -1.725 8.705 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.351 -1.243 9.810 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.252 -3.039 10.363 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.369 -5.598 10.140 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.328 -3.720 7.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.939 -7.668 8.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.819 -5.969 6.318 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.030 -7.963 7.156 1.00 0.00 H new ATOM 749 N GLU A 54 -6.924 0.735 9.076 1.00 0.00 N ATOM 750 CA GLU A 54 -7.290 1.988 9.704 1.00 0.00 C ATOM 751 C GLU A 54 -6.557 2.176 11.036 1.00 0.00 C ATOM 752 O GLU A 54 -6.304 3.305 11.455 1.00 0.00 O ATOM 753 CB GLU A 54 -8.807 1.919 9.928 1.00 0.00 C ATOM 754 CG GLU A 54 -9.429 3.209 10.463 1.00 0.00 C ATOM 755 CD GLU A 54 -10.923 3.068 10.626 1.00 0.00 C ATOM 756 OE1 GLU A 54 -11.357 2.089 11.262 1.00 0.00 O ATOM 757 OE2 GLU A 54 -11.650 3.965 10.150 1.00 0.00 O ATOM 0 H GLU A 54 -7.522 -0.030 9.388 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.013 2.836 9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.289 1.662 8.985 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.022 1.110 10.626 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.978 3.462 11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.211 4.031 9.781 1.00 0.00 H new ATOM 764 N GLY A 55 -6.312 1.081 11.755 1.00 0.00 N ATOM 765 CA GLY A 55 -5.829 1.083 13.125 1.00 0.00 C ATOM 766 C GLY A 55 -4.336 0.819 13.195 1.00 0.00 C ATOM 767 O GLY A 55 -3.827 -0.154 12.639 1.00 0.00 O ATOM 0 H GLY A 55 -6.450 0.141 11.383 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.050 2.045 13.587 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.360 0.324 13.699 1.00 0.00 H new ATOM 771 N SER A 56 -3.636 1.700 13.897 1.00 0.00 N ATOM 772 CA SER A 56 -2.200 1.824 13.942 1.00 0.00 C ATOM 773 C SER A 56 -1.512 0.471 14.074 1.00 0.00 C ATOM 774 O SER A 56 -1.742 -0.286 15.016 1.00 0.00 O ATOM 775 CB SER A 56 -1.810 2.755 15.093 1.00 0.00 C ATOM 776 OG SER A 56 -2.621 3.922 15.078 1.00 0.00 O ATOM 0 H SER A 56 -4.097 2.391 14.489 1.00 0.00 H new ATOM 0 HA SER A 56 -1.862 2.252 12.998 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.925 2.236 16.045 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.760 3.032 15.006 1.00 0.00 H new ATOM 0 HG SER A 56 -2.364 4.509 15.819 1.00 0.00 H new ATOM 782 N GLY A 57 -0.668 0.188 13.096 1.00 0.00 N ATOM 783 CA GLY A 57 0.136 -0.994 12.976 1.00 0.00 C ATOM 784 C GLY A 57 -0.504 -1.946 11.983 1.00 0.00 C ATOM 785 O GLY A 57 0.096 -2.220 10.951 1.00 0.00 O ATOM 0 H GLY A 57 -0.524 0.829 12.316 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.141 -0.730 12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.236 -1.478 13.947 1.00 0.00 H new ATOM 789 N CYS A 58 -1.732 -2.396 12.259 1.00 0.00 N ATOM 790 CA CYS A 58 -2.537 -3.289 11.425 1.00 0.00 C ATOM 791 C CYS A 58 -3.768 -3.804 12.180 1.00 0.00 C ATOM 792 O CYS A 58 -4.108 -4.987 12.105 1.00 0.00 O ATOM 793 CB CYS A 58 -1.745 -4.490 10.885 1.00 0.00 C ATOM 794 SG CYS A 58 -1.167 -5.664 12.138 1.00 0.00 S ATOM 0 H CYS A 58 -2.216 -2.132 13.117 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.851 -2.683 10.575 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.371 -5.025 10.171 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.881 -4.117 10.335 1.00 0.00 H new ATOM 799 N VAL A 59 -4.463 -2.932 12.905 1.00 0.00 N ATOM 800 CA VAL A 59 -5.681 -3.252 13.618 1.00 0.00 C ATOM 801 C VAL A 59 -6.763 -2.342 13.052 1.00 0.00 C ATOM 802 O VAL A 59 -6.493 -1.561 12.145 1.00 0.00 O ATOM 803 CB VAL A 59 -5.456 -3.126 15.131 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.657 -4.329 15.647 1.00 0.00 C ATOM 805 CG2 VAL A 59 -4.740 -1.839 15.550 1.00 0.00 C ATOM 0 H VAL A 59 -4.181 -1.958 13.011 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.000 -4.285 13.479 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.451 -3.095 15.575 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.503 -4.230 16.721 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.209 -5.247 15.443 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.691 -4.367 15.144 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.619 -1.826 16.633 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.760 -1.797 15.075 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.331 -0.977 15.240 1.00 0.00 H new ATOM 815 N GLY A 60 -8.005 -2.481 13.495 1.00 0.00 N ATOM 816 CA GLY A 60 -9.063 -1.591 13.052 1.00 0.00 C ATOM 817 C GLY A 60 -9.715 -2.124 11.781 1.00 0.00 C ATOM 818 O GLY A 60 -9.669 -3.325 11.505 1.00 0.00 O ATOM 0 H GLY A 60 -8.301 -3.198 14.157 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.813 -1.489 13.837 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.656 -0.596 12.869 1.00 0.00 H new ATOM 822 N ARG A 61 -10.350 -1.227 11.037 1.00 0.00 N ATOM 823 CA ARG A 61 -11.026 -1.480 9.782 1.00 0.00 C ATOM 824 C ARG A 61 -9.981 -1.692 8.721 1.00 0.00 C ATOM 825 O ARG A 61 -8.834 -1.289 8.909 1.00 0.00 O ATOM 826 CB ARG A 61 -11.901 -0.250 9.551 1.00 0.00 C ATOM 827 CG ARG A 61 -13.142 -0.389 8.678 1.00 0.00 C ATOM 828 CD ARG A 61 -14.014 0.847 8.968 1.00 0.00 C ATOM 829 NE ARG A 61 -14.492 0.851 10.365 1.00 0.00 N ATOM 830 CZ ARG A 61 -14.417 1.848 11.267 1.00 0.00 C ATOM 831 NH1 ARG A 61 -14.013 3.078 10.948 1.00 0.00 N ATOM 832 NH2 ARG A 61 -14.784 1.594 12.524 1.00 0.00 N ATOM 0 H ARG A 61 -10.407 -0.247 11.315 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.652 -2.372 9.771 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.222 0.115 10.526 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.273 0.525 9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.872 -0.436 7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.680 -1.308 8.910 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.440 1.753 8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.867 0.860 8.290 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.935 -0.010 10.687 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.745 3.294 9.988 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.972 3.803 11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.111 0.663 12.781 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.737 2.331 13.228 1.00 0.00 H new ATOM 846 N SER A 62 -10.361 -2.353 7.634 1.00 0.00 N ATOM 847 CA SER A 62 -9.415 -2.602 6.583 1.00 0.00 C ATOM 848 C SER A 62 -10.097 -2.892 5.264 1.00 0.00 C ATOM 849 O SER A 62 -11.260 -3.293 5.253 1.00 0.00 O ATOM 850 CB SER A 62 -8.481 -3.750 6.969 1.00 0.00 C ATOM 851 OG SER A 62 -9.183 -4.755 7.689 1.00 0.00 O ATOM 0 H SER A 62 -11.300 -2.715 7.470 1.00 0.00 H new ATOM 0 HA SER A 62 -8.826 -1.694 6.450 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.039 -4.182 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.660 -3.368 7.576 1.00 0.00 H new ATOM 0 HG SER A 62 -8.621 -5.086 8.421 1.00 0.00 H new ATOM 857 N THR A 63 -9.344 -2.740 4.181 1.00 0.00 N ATOM 858 CA THR A 63 -9.742 -3.169 2.853 1.00 0.00 C ATOM 859 C THR A 63 -8.503 -3.707 2.143 1.00 0.00 C ATOM 860 O THR A 63 -7.402 -3.224 2.411 1.00 0.00 O ATOM 861 CB THR A 63 -10.350 -1.981 2.096 1.00 0.00 C ATOM 862 OG1 THR A 63 -9.485 -0.864 2.136 1.00 0.00 O ATOM 863 CG2 THR A 63 -11.705 -1.579 2.686 1.00 0.00 C ATOM 0 H THR A 63 -8.421 -2.306 4.206 1.00 0.00 H new ATOM 0 HA THR A 63 -10.497 -3.954 2.901 1.00 0.00 H new ATOM 0 HB THR A 63 -10.491 -2.298 1.063 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.584 -0.404 2.996 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.109 -0.735 2.127 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.394 -2.421 2.621 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.577 -1.295 3.731 1.00 0.00 H new ATOM 871 N THR A 64 -8.661 -4.666 1.235 1.00 0.00 N ATOM 872 CA THR A 64 -7.569 -5.114 0.389 1.00 0.00 C ATOM 873 C THR A 64 -7.582 -4.289 -0.891 1.00 0.00 C ATOM 874 O THR A 64 -8.626 -4.143 -1.523 1.00 0.00 O ATOM 875 CB THR A 64 -7.599 -6.637 0.194 1.00 0.00 C ATOM 876 OG1 THR A 64 -6.535 -7.047 -0.642 1.00 0.00 O ATOM 877 CG2 THR A 64 -8.920 -7.145 -0.385 1.00 0.00 C ATOM 0 H THR A 64 -9.544 -5.149 1.069 1.00 0.00 H new ATOM 0 HA THR A 64 -6.604 -4.939 0.865 1.00 0.00 H new ATOM 0 HB THR A 64 -7.491 -7.072 1.187 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.565 -8.020 -0.756 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.875 -8.228 -0.498 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.737 -6.884 0.288 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.091 -6.686 -1.359 1.00 0.00 H new ATOM 885 N MET A 65 -6.440 -3.707 -1.248 1.00 0.00 N ATOM 886 CA MET A 65 -6.249 -2.837 -2.396 1.00 0.00 C ATOM 887 C MET A 65 -5.195 -3.470 -3.317 1.00 0.00 C ATOM 888 O MET A 65 -4.045 -3.668 -2.914 1.00 0.00 O ATOM 889 CB MET A 65 -5.858 -1.450 -1.866 1.00 0.00 C ATOM 890 CG MET A 65 -6.025 -0.323 -2.894 1.00 0.00 C ATOM 891 SD MET A 65 -4.903 -0.312 -4.314 1.00 0.00 S ATOM 892 CE MET A 65 -3.320 -0.107 -3.478 1.00 0.00 C ATOM 0 H MET A 65 -5.581 -3.839 -0.714 1.00 0.00 H new ATOM 0 HA MET A 65 -7.152 -2.717 -2.994 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.465 -1.222 -0.990 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.819 -1.477 -1.536 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.046 -0.362 -3.273 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.915 0.627 -2.372 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.632 0.432 -4.129 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.465 0.458 -2.557 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.904 -1.086 -3.241 1.00 0.00 H new ATOM 902 N CYS A 66 -5.588 -3.844 -4.538 1.00 0.00 N ATOM 903 CA CYS A 66 -4.670 -4.329 -5.569 1.00 0.00 C ATOM 904 C CYS A 66 -4.323 -3.198 -6.521 1.00 0.00 C ATOM 905 O CYS A 66 -5.170 -2.354 -6.821 1.00 0.00 O ATOM 906 CB CYS A 66 -5.283 -5.434 -6.428 1.00 0.00 C ATOM 907 SG CYS A 66 -5.242 -7.126 -5.819 1.00 0.00 S ATOM 0 H CYS A 66 -6.562 -3.818 -4.840 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.798 -4.714 -5.041 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.326 -5.173 -6.607 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.780 -5.419 -7.395 1.00 0.00 H new ATOM 912 N CYS A 67 -3.098 -3.213 -7.036 1.00 0.00 N ATOM 913 CA CYS A 67 -2.627 -2.297 -8.059 1.00 0.00 C ATOM 914 C CYS A 67 -1.570 -2.961 -8.946 1.00 0.00 C ATOM 915 O CYS A 67 -0.712 -3.671 -8.416 1.00 0.00 O ATOM 916 CB CYS A 67 -2.020 -1.100 -7.352 1.00 0.00 C ATOM 917 SG CYS A 67 -1.660 0.239 -8.500 1.00 0.00 S ATOM 0 H CYS A 67 -2.388 -3.884 -6.742 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.457 -1.999 -8.700 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.706 -0.745 -6.583 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.103 -1.402 -6.846 1.00 0.00 H new ATOM 922 N PRO A 68 -1.616 -2.786 -10.278 1.00 0.00 N ATOM 923 CA PRO A 68 -0.601 -3.337 -11.161 1.00 0.00 C ATOM 924 C PRO A 68 0.757 -2.683 -10.955 1.00 0.00 C ATOM 925 O PRO A 68 0.891 -1.748 -10.172 1.00 0.00 O ATOM 926 CB PRO A 68 -1.114 -3.160 -12.586 1.00 0.00 C ATOM 927 CG PRO A 68 -2.125 -2.018 -12.473 1.00 0.00 C ATOM 928 CD PRO A 68 -2.655 -2.114 -11.041 1.00 0.00 C ATOM 0 HA PRO A 68 -0.439 -4.392 -10.942 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.306 -2.912 -13.274 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.581 -4.072 -12.959 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.655 -1.052 -12.658 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.929 -2.126 -13.201 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.861 -1.124 -10.633 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.589 -2.674 -11.007 1.00 0.00 H new ATOM 936 N ALA A 69 1.759 -3.159 -11.691 1.00 0.00 N ATOM 937 CA ALA A 69 3.096 -2.578 -11.644 1.00 0.00 C ATOM 938 C ALA A 69 3.083 -1.241 -12.372 1.00 0.00 C ATOM 939 O ALA A 69 2.092 -0.876 -13.007 1.00 0.00 O ATOM 940 CB ALA A 69 4.139 -3.470 -12.331 1.00 0.00 C ATOM 0 H ALA A 69 1.668 -3.949 -12.329 1.00 0.00 H new ATOM 0 HA ALA A 69 3.365 -2.467 -10.594 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.119 -2.996 -12.271 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.173 -4.439 -11.833 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.867 -3.609 -13.377 1.00 0.00 H new ATOM 946 N ASN A 70 4.225 -0.556 -12.317 1.00 0.00 N ATOM 947 CA ASN A 70 4.532 0.656 -13.057 1.00 0.00 C ATOM 948 C ASN A 70 3.333 1.577 -13.174 1.00 0.00 C ATOM 949 O ASN A 70 2.943 1.977 -14.271 1.00 0.00 O ATOM 950 CB ASN A 70 5.210 0.362 -14.402 1.00 0.00 C ATOM 951 CG ASN A 70 4.343 -0.282 -15.489 1.00 0.00 C ATOM 952 OD1 ASN A 70 3.602 -1.236 -15.275 1.00 0.00 O ATOM 953 ND2 ASN A 70 4.523 0.150 -16.724 1.00 0.00 N ATOM 0 H ASN A 70 4.998 -0.852 -11.722 1.00 0.00 H new ATOM 0 HA ASN A 70 5.269 1.207 -12.472 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.606 1.299 -14.794 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.063 -0.291 -14.217 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.046 -0.310 -17.500 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.139 0.943 -16.902 1.00 0.00 H new ATOM 960 N THR A 71 2.743 1.911 -12.033 1.00 0.00 N ATOM 961 CA THR A 71 1.662 2.858 -11.976 1.00 0.00 C ATOM 962 C THR A 71 1.651 3.514 -10.601 1.00 0.00 C ATOM 963 O THR A 71 2.320 3.077 -9.667 1.00 0.00 O ATOM 964 CB THR A 71 0.340 2.163 -12.342 1.00 0.00 C ATOM 965 OG1 THR A 71 -0.522 3.084 -12.984 1.00 0.00 O ATOM 966 CG2 THR A 71 -0.364 1.540 -11.140 1.00 0.00 C ATOM 0 H THR A 71 3.009 1.527 -11.126 1.00 0.00 H new ATOM 0 HA THR A 71 1.797 3.654 -12.708 1.00 0.00 H new ATOM 0 HB THR A 71 0.588 1.344 -13.017 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.363 2.637 -13.217 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.290 1.066 -11.466 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.286 0.792 -10.685 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.592 2.316 -10.409 1.00 0.00 H new ATOM 974 N CYS A 72 0.861 4.570 -10.500 1.00 0.00 N ATOM 975 CA CYS A 72 0.540 5.295 -9.294 1.00 0.00 C ATOM 976 C CYS A 72 -0.933 5.032 -8.986 1.00 0.00 C ATOM 977 O CYS A 72 -1.764 5.026 -9.900 1.00 0.00 O ATOM 978 CB CYS A 72 0.821 6.759 -9.593 1.00 0.00 C ATOM 979 SG CYS A 72 -0.300 7.924 -8.838 1.00 0.00 S ATOM 0 H CYS A 72 0.398 4.966 -11.318 1.00 0.00 H new ATOM 0 HA CYS A 72 1.123 4.993 -8.424 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.834 6.991 -9.265 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.795 6.903 -10.673 1.00 0.00 H new ATOM 984 N CYS A 73 -1.254 4.732 -7.732 1.00 0.00 N ATOM 985 CA CYS A 73 -2.543 4.253 -7.280 1.00 0.00 C ATOM 986 C CYS A 73 -2.929 5.114 -6.084 1.00 0.00 C ATOM 987 O CYS A 73 -2.214 5.130 -5.085 1.00 0.00 O ATOM 988 CB CYS A 73 -2.458 2.769 -6.870 1.00 0.00 C ATOM 989 SG CYS A 73 -0.982 1.813 -7.314 1.00 0.00 S ATOM 0 H CYS A 73 -0.583 4.823 -6.969 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.287 4.324 -8.074 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.567 2.721 -5.786 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.321 2.260 -7.300 1.00 0.00 H new ATOM 994 N ASN A 74 -4.033 5.855 -6.173 1.00 0.00 N ATOM 995 CA ASN A 74 -4.481 6.730 -5.092 1.00 0.00 C ATOM 996 C ASN A 74 -5.167 5.911 -4.010 1.00 0.00 C ATOM 997 O ASN A 74 -6.152 5.224 -4.286 1.00 0.00 O ATOM 998 CB ASN A 74 -5.486 7.757 -5.627 1.00 0.00 C ATOM 999 CG ASN A 74 -6.187 8.500 -4.492 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -7.302 8.149 -4.101 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -5.557 9.529 -3.945 1.00 0.00 N ATOM 0 H ASN A 74 -4.639 5.865 -6.993 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.609 7.240 -4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.970 8.473 -6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.228 7.253 -6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.994 10.049 -3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.635 9.802 -4.285 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.675 5.998 -2.782 1.00 0.00 N ATOM 1009 CA ILE A 75 -5.314 5.481 -1.596 1.00 0.00 C ATOM 1010 C ILE A 75 -5.919 6.706 -0.924 1.00 0.00 C ATOM 1011 O ILE A 75 -5.218 7.521 -0.339 1.00 0.00 O ATOM 1012 CB ILE A 75 -4.250 4.792 -0.726 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -3.809 3.449 -1.310 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -4.730 4.516 0.694 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -3.068 3.628 -2.621 1.00 0.00 C ATOM 0 H ILE A 75 -3.783 6.451 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.084 4.735 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.420 5.498 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.167 2.934 -0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.682 2.816 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.935 4.029 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.995 5.456 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.604 3.865 0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.770 2.653 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.720 4.120 -3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.181 4.240 -2.457 1.00 0.00 H new ATOM 1027 N ASN A 76 -7.226 6.888 -1.022 1.00 0.00 N ATOM 1028 CA ASN A 76 -7.901 7.898 -0.226 1.00 0.00 C ATOM 1029 C ASN A 76 -9.256 7.309 0.105 1.00 0.00 C ATOM 1030 O ASN A 76 -10.267 7.668 -0.496 1.00 0.00 O ATOM 1031 CB ASN A 76 -7.959 9.240 -0.964 1.00 0.00 C ATOM 1032 CG ASN A 76 -8.219 10.353 0.039 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -7.331 11.156 0.321 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -9.406 10.381 0.628 1.00 0.00 N ATOM 0 H ASN A 76 -7.836 6.353 -1.640 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.369 8.135 0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.021 9.420 -1.490 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.748 9.221 -1.716 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.606 11.084 1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.120 9.700 0.370 1.00 0.00 H new ATOM 1041 N THR A 77 -9.218 6.293 0.959 1.00 0.00 N ATOM 1042 CA THR A 77 -10.270 5.323 1.183 1.00 0.00 C ATOM 1043 C THR A 77 -11.417 5.948 1.977 1.00 0.00 C ATOM 1044 O THR A 77 -11.326 7.090 2.427 1.00 0.00 O ATOM 1045 CB THR A 77 -9.608 4.161 1.950 1.00 0.00 C ATOM 1046 OG1 THR A 77 -8.629 4.682 2.828 1.00 0.00 O ATOM 1047 CG2 THR A 77 -8.855 3.220 1.008 1.00 0.00 C ATOM 0 H THR A 77 -8.402 6.119 1.545 1.00 0.00 H new ATOM 0 HA THR A 77 -10.709 4.971 0.249 1.00 0.00 H new ATOM 0 HB THR A 77 -10.404 3.627 2.469 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.068 5.172 3.554 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.402 2.414 1.585 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.550 2.800 0.281 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.076 3.775 0.486 1.00 0.00 H new ATOM 1055 N GLY A 78 -12.493 5.190 2.186 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.569 5.613 3.070 1.00 0.00 C ATOM 1057 C GLY A 78 -13.044 5.907 4.479 1.00 0.00 C ATOM 1058 O GLY A 78 -13.462 6.870 5.115 1.00 0.00 O ATOM 0 H GLY A 78 -12.639 4.278 1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.048 6.504 2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.331 4.835 3.118 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.141 5.060 4.977 1.00 0.00 N ATOM 1063 CA PHE A 79 -11.501 5.230 6.272 1.00 0.00 C ATOM 1064 C PHE A 79 -10.186 5.959 6.122 1.00 0.00 C ATOM 1065 O PHE A 79 -9.646 6.088 5.021 1.00 0.00 O ATOM 1066 CB PHE A 79 -11.288 3.876 6.958 1.00 0.00 C ATOM 1067 CG PHE A 79 -10.503 2.859 6.149 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -11.109 2.142 5.101 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -9.130 2.686 6.403 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -10.318 1.358 4.245 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -8.357 1.837 5.598 1.00 0.00 C ATOM 1072 CZ PHE A 79 -8.946 1.193 4.500 1.00 0.00 C ATOM 0 H PHE A 79 -11.833 4.225 4.479 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.160 5.830 6.900 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -10.771 4.043 7.903 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.263 3.451 7.199 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.178 2.194 4.955 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.667 3.212 7.225 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -10.766 0.880 3.387 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -7.312 1.680 5.823 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.346 0.571 3.852 1.00 0.00 H new ATOM 1082 N TYR A 80 -9.688 6.451 7.252 1.00 0.00 N ATOM 1083 CA TYR A 80 -8.398 7.092 7.302 1.00 0.00 C ATOM 1084 C TYR A 80 -7.334 6.003 7.372 1.00 0.00 C ATOM 1085 O TYR A 80 -7.479 5.063 8.144 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.329 8.010 8.519 1.00 0.00 C ATOM 1087 CG TYR A 80 -6.980 8.661 8.763 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.182 9.093 7.687 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -6.509 8.809 10.080 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -4.885 9.573 7.923 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -5.253 9.391 10.317 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.428 9.738 9.239 1.00 0.00 C ATOM 1093 OH TYR A 80 -3.265 10.400 9.491 1.00 0.00 O ATOM 0 H TYR A 80 -10.172 6.412 8.149 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.232 7.703 6.415 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.077 8.794 8.405 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.602 7.435 9.404 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.568 9.055 6.679 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.114 8.475 10.910 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.239 9.815 7.092 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.923 9.571 11.330 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.103 10.421 10.457 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.284 6.120 6.570 1.00 0.00 N ATOM 1104 CA ILE A 81 -5.321 5.056 6.367 1.00 0.00 C ATOM 1105 C ILE A 81 -4.174 5.196 7.355 1.00 0.00 C ATOM 1106 O ILE A 81 -3.628 6.291 7.512 1.00 0.00 O ATOM 1107 CB ILE A 81 -4.812 5.019 4.922 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -4.844 6.389 4.221 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -5.605 3.949 4.172 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.203 6.736 3.596 1.00 0.00 C ATOM 0 H ILE A 81 -6.079 6.966 6.039 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.822 4.105 6.548 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.753 4.759 4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.579 7.162 4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.082 6.406 3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.263 3.900 3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.453 2.981 4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.665 4.201 4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.146 7.716 3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.462 5.986 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.967 6.754 4.373 1.00 0.00 H new ATOM 1122 N ARG A 82 -3.846 4.104 8.046 1.00 0.00 N ATOM 1123 CA ARG A 82 -2.879 4.125 9.136 1.00 0.00 C ATOM 1124 C ARG A 82 -1.893 2.956 9.116 1.00 0.00 C ATOM 1125 O ARG A 82 -0.899 2.980 9.842 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.651 4.223 10.452 1.00 0.00 C ATOM 1127 CG ARG A 82 -2.896 5.039 11.500 1.00 0.00 C ATOM 1128 CD ARG A 82 -3.890 5.468 12.588 1.00 0.00 C ATOM 1129 NE ARG A 82 -3.246 6.226 13.672 1.00 0.00 N ATOM 1130 CZ ARG A 82 -2.885 7.519 13.621 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -3.061 8.208 12.496 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -2.338 8.109 14.680 1.00 0.00 N ATOM 0 H ARG A 82 -4.244 3.183 7.864 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.239 4.999 9.014 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.623 4.680 10.269 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.837 3.221 10.838 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.091 4.446 11.934 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.436 5.914 11.040 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.674 6.077 12.139 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.372 4.584 13.004 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.057 5.725 14.540 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.468 7.754 11.678 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.789 9.190 12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.190 7.579 15.539 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.067 9.091 14.633 1.00 0.00 H new ATOM 1146 N SER A 83 -2.147 1.921 8.322 1.00 0.00 N ATOM 1147 CA SER A 83 -1.333 0.711 8.343 1.00 0.00 C ATOM 1148 C SER A 83 -1.583 -0.158 7.116 1.00 0.00 C ATOM 1149 O SER A 83 -2.538 0.092 6.382 1.00 0.00 O ATOM 1150 CB SER A 83 -1.632 -0.056 9.631 1.00 0.00 C ATOM 1151 OG SER A 83 -2.922 0.266 10.124 1.00 0.00 O ATOM 0 H SER A 83 -2.915 1.897 7.652 1.00 0.00 H new ATOM 0 HA SER A 83 -0.279 0.989 8.316 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.567 -1.128 9.444 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.881 0.183 10.384 1.00 0.00 H new ATOM 0 HG SER A 83 -2.960 0.081 11.086 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.754 -1.183 6.894 1.00 0.00 N ATOM 1158 CA TYR A 84 -0.936 -2.134 5.813 1.00 0.00 C ATOM 1159 C TYR A 84 -0.054 -3.370 5.969 1.00 0.00 C ATOM 1160 O TYR A 84 0.800 -3.442 6.851 1.00 0.00 O ATOM 1161 CB TYR A 84 -0.715 -1.478 4.438 1.00 0.00 C ATOM 1162 CG TYR A 84 0.721 -1.179 4.031 1.00 0.00 C ATOM 1163 CD1 TYR A 84 1.573 -0.405 4.848 1.00 0.00 C ATOM 1164 CD2 TYR A 84 1.138 -1.522 2.733 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.813 0.041 4.357 1.00 0.00 C ATOM 1166 CE2 TYR A 84 2.386 -1.095 2.256 1.00 0.00 C ATOM 1167 CZ TYR A 84 3.219 -0.312 3.064 1.00 0.00 C ATOM 1168 OH TYR A 84 4.389 0.128 2.538 1.00 0.00 O ATOM 0 H TYR A 84 0.067 -1.370 7.469 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.972 -2.467 5.869 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.152 -2.128 3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.274 -0.542 4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.271 -0.154 5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.495 -2.116 2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.451 0.655 4.976 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.705 -1.371 1.262 1.00 0.00 H new ATOM 0 HH TYR A 84 4.780 0.805 3.129 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.310 -4.342 5.099 1.00 0.00 N ATOM 1179 CA ARG A 85 0.432 -5.552 4.836 1.00 0.00 C ATOM 1180 C ARG A 85 0.444 -5.692 3.322 1.00 0.00 C ATOM 1181 O ARG A 85 -0.616 -5.559 2.715 1.00 0.00 O ATOM 1182 CB ARG A 85 -0.403 -6.753 5.299 1.00 0.00 C ATOM 1183 CG ARG A 85 -0.139 -7.322 6.685 1.00 0.00 C ATOM 1184 CD ARG A 85 -0.398 -6.336 7.817 1.00 0.00 C ATOM 1185 NE ARG A 85 -1.077 -7.008 8.932 1.00 0.00 N ATOM 1186 CZ ARG A 85 -0.503 -7.962 9.680 1.00 0.00 C ATOM 1187 NH1 ARG A 85 0.769 -8.283 9.450 1.00 0.00 N ATOM 1188 NH2 ARG A 85 -1.196 -8.584 10.620 1.00 0.00 N ATOM 0 H ARG A 85 -1.134 -4.286 4.500 1.00 0.00 H new ATOM 0 HA ARG A 85 1.411 -5.518 5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.453 -6.466 5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.259 -7.556 4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.766 -8.201 6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.897 -7.657 6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.545 -5.910 8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.009 -5.509 7.455 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.036 -6.735 9.149 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.291 -7.806 8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.222 -9.006 10.009 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.173 -8.339 10.780 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.753 -9.309 11.185 1.00 0.00 H new ATOM 1202 N ARG A 86 1.568 -6.025 2.702 1.00 0.00 N ATOM 1203 CA ARG A 86 1.495 -6.614 1.368 1.00 0.00 C ATOM 1204 C ARG A 86 0.779 -7.966 1.515 1.00 0.00 C ATOM 1205 O ARG A 86 0.784 -8.530 2.611 1.00 0.00 O ATOM 1206 CB ARG A 86 2.922 -6.845 0.865 1.00 0.00 C ATOM 1207 CG ARG A 86 3.082 -7.259 -0.595 1.00 0.00 C ATOM 1208 CD ARG A 86 2.795 -6.116 -1.559 1.00 0.00 C ATOM 1209 NE ARG A 86 2.992 -6.597 -2.923 1.00 0.00 N ATOM 1210 CZ ARG A 86 4.107 -6.505 -3.660 1.00 0.00 C ATOM 1211 NH1 ARG A 86 5.216 -5.903 -3.217 1.00 0.00 N ATOM 1212 NH2 ARG A 86 4.075 -7.041 -4.870 1.00 0.00 N ATOM 0 H ARG A 86 2.507 -5.905 3.081 1.00 0.00 H new ATOM 0 HA ARG A 86 0.964 -5.969 0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.489 -5.927 1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.381 -7.613 1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.097 -7.621 -0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.409 -8.089 -0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.774 -5.758 -1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.457 -5.274 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 86 2.193 -7.053 -3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.235 -5.491 -2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.043 -5.856 -3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.226 -7.498 -5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.899 -6.997 -5.469 1.00 0.00 H new ATOM 1226 N VAL A 87 0.209 -8.522 0.448 1.00 0.00 N ATOM 1227 CA VAL A 87 -0.165 -9.934 0.430 1.00 0.00 C ATOM 1228 C VAL A 87 0.632 -10.702 -0.621 1.00 0.00 C ATOM 1229 O VAL A 87 1.097 -11.803 -0.323 1.00 0.00 O ATOM 1230 CB VAL A 87 -1.688 -10.149 0.344 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -2.379 -9.601 1.599 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.335 -9.526 -0.896 1.00 0.00 C ATOM 0 H VAL A 87 -0.003 -8.018 -0.413 1.00 0.00 H new ATOM 0 HA VAL A 87 0.112 -10.360 1.394 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.826 -11.228 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.454 -9.761 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.998 -10.118 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.177 -8.534 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.407 -9.721 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.162 -8.450 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.897 -9.963 -1.793 1.00 0.00 H new ATOM 1242 N GLU A 88 0.832 -10.130 -1.809 1.00 0.00 N ATOM 1243 CA GLU A 88 1.690 -10.685 -2.837 1.00 0.00 C ATOM 1244 C GLU A 88 2.096 -9.514 -3.732 1.00 0.00 C ATOM 1245 CB GLU A 88 0.933 -11.753 -3.639 1.00 0.00 C ATOM 1246 CG GLU A 88 1.875 -12.766 -4.309 1.00 0.00 C ATOM 1247 CD GLU A 88 2.759 -12.184 -5.396 1.00 0.00 C ATOM 1248 OE1 GLU A 88 2.270 -11.341 -6.175 1.00 0.00 O ATOM 1249 OE2 GLU A 88 3.903 -12.667 -5.524 1.00 0.00 O ATOM 0 H GLU A 88 0.390 -9.252 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 88 2.568 -11.170 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.248 -12.282 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.326 -11.267 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.509 -13.213 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.277 -13.570 -4.737 1.00 0.00 H new TER 1256 GLU A 88