USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 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= 0.576 K(o=2,f=-0.46!) USER MOD Set 1.2: A 84 TYR OH : rot 29:sc= 1.47 USER MOD Set 2.1: A 35 HIS : no HD1:sc= -0.513 K(o=-0.64,f=-3.1!) USER MOD Set 2.2: A 74 ASN : amide:sc= -0.127 X(o=-0.64,f=-0.65) USER MOD Set 2.3: A 76 ASN : amide:sc= 0 X(o=-0.64,f=-0.21) USER MOD Set 3.1: A 7 MET CE :methyl 165:sc= -0.673 (180deg=-1.55) USER MOD Set 3.2: A 37 MET CE :methyl 172:sc= -0.539 (180deg=-0.194) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.282 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 1.29 K(o=1.3,f=-8.1!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot -47:sc= 0.0538 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0525 USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.021) USER MOD Single : A 22 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.53) USER MOD Single : A 25 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.002) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0757 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot -2:sc= 0.262 USER MOD Single : A 42 SER OG : rot 180:sc= -0.318 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 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=-0.45) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -127:sc= 0.88 USER MOD Single : A 63 THR OG1 : rot -99:sc= 0.454 USER MOD Single : A 64 THR OG1 : rot 50:sc= 0.281 USER MOD Single : A 65 MET CE :methyl 179:sc= 0 (180deg=-0.0027) USER MOD Single : A 70 ASN : amide:sc= -0.265 K(o=-0.26,f=-4.3!) USER MOD Single : A 71 THR OG1 : rot 68:sc= 0.357 USER MOD Single : A 77 THR OG1 : rot -31:sc= 0.966 USER MOD Single : A 80 TYR OH : rot -69:sc= 0.661 USER MOD Single : A 83 SER OG : rot 137:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.553 -2.648 -10.445 1.00 0.00 N ATOM 2 CA GLY A 1 14.141 -3.738 -11.333 1.00 0.00 C ATOM 3 C GLY A 1 13.006 -4.455 -10.635 1.00 0.00 C ATOM 4 O GLY A 1 12.435 -3.857 -9.722 1.00 0.00 O ATOM 0 H1 GLY A 1 14.499 -1.744 -10.957 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.922 -2.616 -9.619 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.530 -2.809 -10.128 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.819 -3.350 -12.299 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.971 -4.418 -11.523 1.00 0.00 H new ATOM 7 N ASP A 2 12.713 -5.697 -11.028 1.00 0.00 N ATOM 8 CA ASP A 2 11.849 -6.670 -10.369 1.00 0.00 C ATOM 9 C ASP A 2 10.404 -6.179 -10.320 1.00 0.00 C ATOM 10 O ASP A 2 9.516 -6.674 -11.007 1.00 0.00 O ATOM 11 CB ASP A 2 12.401 -7.001 -8.975 1.00 0.00 C ATOM 12 CG ASP A 2 11.395 -7.740 -8.125 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.837 -8.743 -8.606 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.318 -7.442 -6.914 1.00 0.00 O ATOM 0 H ASP A 2 13.109 -6.076 -11.888 1.00 0.00 H new ATOM 0 HA ASP A 2 11.842 -7.592 -10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 2 13.302 -7.606 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.691 -6.078 -8.472 1.00 0.00 H new ATOM 19 N GLY A 3 10.195 -5.186 -9.475 1.00 0.00 N ATOM 20 CA GLY A 3 8.934 -4.760 -8.934 1.00 0.00 C ATOM 21 C GLY A 3 9.180 -4.424 -7.464 1.00 0.00 C ATOM 22 O GLY A 3 10.197 -4.815 -6.894 1.00 0.00 O ATOM 0 H GLY A 3 10.968 -4.618 -9.128 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.556 -3.891 -9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.185 -5.546 -9.032 1.00 0.00 H new ATOM 26 N TYR A 4 8.261 -3.704 -6.842 1.00 0.00 N ATOM 27 CA TYR A 4 8.209 -3.429 -5.421 1.00 0.00 C ATOM 28 C TYR A 4 6.843 -2.814 -5.170 1.00 0.00 C ATOM 29 O TYR A 4 6.104 -2.501 -6.110 1.00 0.00 O ATOM 30 CB TYR A 4 9.317 -2.471 -4.948 1.00 0.00 C ATOM 31 CG TYR A 4 9.515 -1.238 -5.807 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.568 -0.195 -5.763 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.614 -1.147 -6.683 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.647 0.866 -6.679 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.744 -0.031 -7.528 1.00 0.00 C ATOM 36 CZ TYR A 4 9.712 0.918 -7.592 1.00 0.00 C ATOM 37 OH TYR A 4 9.795 1.944 -8.484 1.00 0.00 O ATOM 0 H TYR A 4 7.488 -3.272 -7.348 1.00 0.00 H new ATOM 0 HA TYR A 4 8.367 -4.351 -4.861 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.090 -2.153 -3.931 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.257 -3.021 -4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.781 -0.212 -5.024 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.355 -1.932 -6.706 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.892 1.638 -6.681 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.635 0.096 -8.126 1.00 0.00 H new ATOM 0 HH TYR A 4 10.592 1.829 -9.042 1.00 0.00 H new ATOM 47 N LEU A 5 6.533 -2.624 -3.895 1.00 0.00 N ATOM 48 CA LEU A 5 5.332 -1.969 -3.422 1.00 0.00 C ATOM 49 C LEU A 5 5.752 -1.137 -2.220 1.00 0.00 C ATOM 50 O LEU A 5 6.299 -1.678 -1.260 1.00 0.00 O ATOM 51 CB LEU A 5 4.287 -3.035 -3.091 1.00 0.00 C ATOM 52 CG LEU A 5 2.952 -2.464 -2.586 1.00 0.00 C ATOM 53 CD1 LEU A 5 1.791 -2.941 -3.470 1.00 0.00 C ATOM 54 CD2 LEU A 5 2.681 -2.911 -1.148 1.00 0.00 C ATOM 0 H LEU A 5 7.138 -2.936 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 5 4.872 -1.313 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.100 -3.635 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.694 -3.705 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 5 3.024 -1.377 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.855 -2.526 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.953 -2.606 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.740 -4.030 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.731 -2.496 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.636 -3.999 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.483 -2.557 -0.500 1.00 0.00 H new ATOM 66 N ILE A 6 5.552 0.171 -2.322 1.00 0.00 N ATOM 67 CA ILE A 6 5.858 1.172 -1.319 1.00 0.00 C ATOM 68 C ILE A 6 4.735 2.197 -1.382 1.00 0.00 C ATOM 69 O ILE A 6 4.136 2.363 -2.453 1.00 0.00 O ATOM 70 CB ILE A 6 7.195 1.867 -1.620 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.349 2.286 -3.096 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.402 1.029 -1.199 1.00 0.00 C ATOM 73 CD1 ILE A 6 7.691 3.766 -3.186 1.00 0.00 C ATOM 0 H ILE A 6 5.146 0.582 -3.162 1.00 0.00 H new ATOM 0 HA ILE A 6 5.942 0.711 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 6 7.171 2.774 -1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.132 1.694 -3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.425 2.085 -3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.319 1.568 -1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.358 0.840 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.391 0.080 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.798 4.052 -4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.894 4.352 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.627 3.956 -2.661 1.00 0.00 H new ATOM 85 N MET A 7 4.443 2.871 -0.269 1.00 0.00 N ATOM 86 CA MET A 7 3.509 3.972 -0.246 1.00 0.00 C ATOM 87 C MET A 7 4.196 5.301 0.007 1.00 0.00 C ATOM 88 O MET A 7 5.346 5.366 0.440 1.00 0.00 O ATOM 89 CB MET A 7 2.321 3.642 0.647 1.00 0.00 C ATOM 90 CG MET A 7 2.522 3.693 2.158 1.00 0.00 C ATOM 91 SD MET A 7 0.997 3.470 3.114 1.00 0.00 S ATOM 92 CE MET A 7 0.200 2.101 2.270 1.00 0.00 C ATOM 0 H MET A 7 4.855 2.659 0.640 1.00 0.00 H new ATOM 0 HA MET A 7 3.079 4.111 -1.238 1.00 0.00 H new ATOM 0 HB2 MET A 7 1.513 4.329 0.395 1.00 0.00 H new ATOM 0 HB3 MET A 7 1.979 2.640 0.390 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.235 2.920 2.445 1.00 0.00 H new ATOM 0 HG3 MET A 7 2.967 4.652 2.423 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.593 1.697 2.900 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.227 2.452 1.330 1.00 0.00 H new ATOM 0 HE3 MET A 7 0.935 1.322 2.067 1.00 0.00 H new ATOM 102 N CYS A 8 3.509 6.370 -0.375 1.00 0.00 N ATOM 103 CA CYS A 8 4.110 7.653 -0.634 1.00 0.00 C ATOM 104 C CYS A 8 3.172 8.759 -0.219 1.00 0.00 C ATOM 105 O CYS A 8 1.952 8.607 -0.150 1.00 0.00 O ATOM 106 CB CYS A 8 4.420 7.830 -2.118 1.00 0.00 C ATOM 107 SG CYS A 8 5.672 6.774 -2.865 1.00 0.00 S ATOM 0 H CYS A 8 2.499 6.359 -0.514 1.00 0.00 H new ATOM 0 HA CYS A 8 5.036 7.699 -0.061 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.492 7.685 -2.670 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.724 8.865 -2.272 1.00 0.00 H new ATOM 112 N LYS A 9 3.806 9.880 0.079 1.00 0.00 N ATOM 113 CA LYS A 9 3.192 11.074 0.599 1.00 0.00 C ATOM 114 C LYS A 9 2.664 11.955 -0.542 1.00 0.00 C ATOM 115 O LYS A 9 1.900 12.892 -0.319 1.00 0.00 O ATOM 116 CB LYS A 9 4.246 11.728 1.492 1.00 0.00 C ATOM 117 CG LYS A 9 4.658 10.743 2.617 1.00 0.00 C ATOM 118 CD LYS A 9 3.883 10.946 3.917 1.00 0.00 C ATOM 119 CE LYS A 9 4.613 11.932 4.831 1.00 0.00 C ATOM 120 NZ LYS A 9 5.726 11.295 5.567 1.00 0.00 N ATOM 0 H LYS A 9 4.814 9.980 -0.044 1.00 0.00 H new ATOM 0 HA LYS A 9 2.303 10.875 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.118 12.005 0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.851 12.647 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.506 9.721 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.723 10.857 2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.883 11.319 3.696 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.761 9.990 4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.000 12.758 4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.905 12.357 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.191 12.001 6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.355 10.523 6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.416 10.912 4.890 1.00 0.00 H new ATOM 134 N ASN A 10 3.073 11.660 -1.776 1.00 0.00 N ATOM 135 CA ASN A 10 2.474 12.147 -3.014 1.00 0.00 C ATOM 136 C ASN A 10 2.702 11.096 -4.086 1.00 0.00 C ATOM 137 O ASN A 10 3.300 10.060 -3.814 1.00 0.00 O ATOM 138 CB ASN A 10 3.023 13.508 -3.456 1.00 0.00 C ATOM 139 CG ASN A 10 4.518 13.556 -3.716 1.00 0.00 C ATOM 140 OD1 ASN A 10 5.060 12.702 -4.399 1.00 0.00 O ATOM 141 ND2 ASN A 10 5.196 14.561 -3.176 1.00 0.00 N ATOM 0 H ASN A 10 3.869 11.045 -1.945 1.00 0.00 H new ATOM 0 HA ASN A 10 1.409 12.307 -2.845 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.504 13.812 -4.365 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.781 14.244 -2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.202 14.637 -3.327 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.711 15.258 -2.610 1.00 0.00 H new ATOM 148 N CYS A 11 2.228 11.352 -5.302 1.00 0.00 N ATOM 149 CA CYS A 11 2.282 10.353 -6.372 1.00 0.00 C ATOM 150 C CYS A 11 3.662 10.201 -7.011 1.00 0.00 C ATOM 151 O CYS A 11 3.826 9.408 -7.939 1.00 0.00 O ATOM 152 CB CYS A 11 1.286 10.792 -7.445 1.00 0.00 C ATOM 153 SG CYS A 11 1.058 9.720 -8.888 1.00 0.00 S ATOM 0 H CYS A 11 1.803 12.239 -5.573 1.00 0.00 H new ATOM 0 HA CYS A 11 2.043 9.383 -5.937 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.315 10.918 -6.967 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.594 11.774 -7.804 1.00 0.00 H new ATOM 158 N ASP A 12 4.671 10.909 -6.504 1.00 0.00 N ATOM 159 CA ASP A 12 5.977 10.974 -7.166 1.00 0.00 C ATOM 160 C ASP A 12 7.158 10.645 -6.241 1.00 0.00 C ATOM 161 O ASP A 12 7.560 11.500 -5.451 1.00 0.00 O ATOM 162 CB ASP A 12 6.188 12.353 -7.800 1.00 0.00 C ATOM 163 CG ASP A 12 7.329 12.301 -8.802 1.00 0.00 C ATOM 164 OD1 ASP A 12 8.135 11.349 -8.743 1.00 0.00 O ATOM 165 OD2 ASP A 12 7.353 13.180 -9.686 1.00 0.00 O ATOM 0 H ASP A 12 4.611 11.445 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 12 5.958 10.203 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.273 12.677 -8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.408 13.088 -7.025 1.00 0.00 H new ATOM 170 N PRO A 13 7.798 9.468 -6.352 1.00 0.00 N ATOM 171 CA PRO A 13 8.980 9.164 -5.558 1.00 0.00 C ATOM 172 C PRO A 13 10.127 10.145 -5.808 1.00 0.00 C ATOM 173 O PRO A 13 11.009 10.281 -4.961 1.00 0.00 O ATOM 174 CB PRO A 13 9.373 7.727 -5.914 1.00 0.00 C ATOM 175 CG PRO A 13 8.780 7.519 -7.307 1.00 0.00 C ATOM 176 CD PRO A 13 7.531 8.403 -7.309 1.00 0.00 C ATOM 0 HA PRO A 13 8.760 9.264 -4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.455 7.598 -5.917 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.969 7.013 -5.197 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.480 7.815 -8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.530 6.473 -7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.340 8.809 -8.303 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.647 7.832 -7.023 1.00 0.00 H new ATOM 184 N ASN A 14 10.130 10.845 -6.941 1.00 0.00 N ATOM 185 CA ASN A 14 11.155 11.832 -7.241 1.00 0.00 C ATOM 186 C ASN A 14 11.101 12.980 -6.246 1.00 0.00 C ATOM 187 O ASN A 14 12.144 13.543 -5.932 1.00 0.00 O ATOM 188 CB ASN A 14 10.969 12.370 -8.661 1.00 0.00 C ATOM 189 CG ASN A 14 12.150 13.206 -9.141 1.00 0.00 C ATOM 190 OD1 ASN A 14 13.090 12.671 -9.722 1.00 0.00 O ATOM 191 ND2 ASN A 14 12.105 14.521 -8.973 1.00 0.00 N ATOM 0 H ASN A 14 9.425 10.742 -7.670 1.00 0.00 H new ATOM 0 HA ASN A 14 12.129 11.348 -7.165 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.822 11.533 -9.344 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.063 12.975 -8.698 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.860 15.107 -9.329 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.315 14.946 -8.488 1.00 0.00 H new ATOM 198 N THR A 15 9.910 13.339 -5.760 1.00 0.00 N ATOM 199 CA THR A 15 9.731 14.503 -4.902 1.00 0.00 C ATOM 200 C THR A 15 8.692 14.241 -3.805 1.00 0.00 C ATOM 201 O THR A 15 8.034 15.166 -3.325 1.00 0.00 O ATOM 202 CB THR A 15 9.442 15.722 -5.799 1.00 0.00 C ATOM 203 OG1 THR A 15 9.613 16.952 -5.120 1.00 0.00 O ATOM 204 CG2 THR A 15 8.072 15.691 -6.481 1.00 0.00 C ATOM 0 H THR A 15 9.047 12.830 -5.952 1.00 0.00 H new ATOM 0 HA THR A 15 10.641 14.722 -4.343 1.00 0.00 H new ATOM 0 HB THR A 15 10.192 15.648 -6.587 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.161 16.912 -4.252 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.950 16.585 -7.093 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.000 14.806 -7.113 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.289 15.660 -5.723 1.00 0.00 H new ATOM 212 N GLY A 16 8.552 12.991 -3.370 1.00 0.00 N ATOM 213 CA GLY A 16 7.677 12.578 -2.292 1.00 0.00 C ATOM 214 C GLY A 16 8.453 11.717 -1.311 1.00 0.00 C ATOM 215 O GLY A 16 9.258 10.879 -1.721 1.00 0.00 O ATOM 0 H GLY A 16 9.068 12.212 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.272 13.453 -1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.830 12.020 -2.691 1.00 0.00 H new ATOM 219 N SER A 17 8.225 11.911 -0.013 1.00 0.00 N ATOM 220 CA SER A 17 8.642 10.937 0.977 1.00 0.00 C ATOM 221 C SER A 17 7.850 9.653 0.709 1.00 0.00 C ATOM 222 O SER A 17 6.628 9.697 0.561 1.00 0.00 O ATOM 223 CB SER A 17 8.455 11.491 2.401 1.00 0.00 C ATOM 224 OG SER A 17 7.477 12.520 2.464 1.00 0.00 O ATOM 0 H SER A 17 7.756 12.732 0.370 1.00 0.00 H new ATOM 0 HA SER A 17 9.706 10.714 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.165 10.679 3.068 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.407 11.877 2.764 1.00 0.00 H new ATOM 0 HG SER A 17 7.394 12.837 3.388 1.00 0.00 H new ATOM 230 N CYS A 18 8.547 8.531 0.560 1.00 0.00 N ATOM 231 CA CYS A 18 7.987 7.243 0.217 1.00 0.00 C ATOM 232 C CYS A 18 8.649 6.240 1.136 1.00 0.00 C ATOM 233 O CYS A 18 9.853 6.376 1.371 1.00 0.00 O ATOM 234 CB CYS A 18 8.353 6.910 -1.220 1.00 0.00 C ATOM 235 SG CYS A 18 7.484 7.767 -2.550 1.00 0.00 S ATOM 0 H CYS A 18 9.559 8.501 0.682 1.00 0.00 H new ATOM 0 HA CYS A 18 6.902 7.234 0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.419 7.101 -1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.202 5.840 -1.361 1.00 0.00 H new ATOM 240 N ASP A 19 7.912 5.288 1.706 1.00 0.00 N ATOM 241 CA ASP A 19 8.481 4.364 2.667 1.00 0.00 C ATOM 242 C ASP A 19 8.897 3.048 2.004 1.00 0.00 C ATOM 243 O ASP A 19 8.077 2.198 1.671 1.00 0.00 O ATOM 244 CB ASP A 19 7.575 4.242 3.880 1.00 0.00 C ATOM 245 CG ASP A 19 6.280 3.527 3.600 1.00 0.00 C ATOM 246 OD1 ASP A 19 5.341 4.213 3.159 1.00 0.00 O ATOM 247 OD2 ASP A 19 6.235 2.312 3.879 1.00 0.00 O ATOM 0 H ASP A 19 6.921 5.142 1.515 1.00 0.00 H new ATOM 0 HA ASP A 19 9.419 4.759 3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.109 3.712 4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.354 5.240 4.259 1.00 0.00 H new ATOM 252 N TRP A 20 10.209 2.932 1.810 1.00 0.00 N ATOM 253 CA TRP A 20 10.955 1.847 1.199 1.00 0.00 C ATOM 254 C TRP A 20 11.639 1.021 2.284 1.00 0.00 C ATOM 255 O TRP A 20 12.862 0.877 2.262 1.00 0.00 O ATOM 256 CB TRP A 20 12.027 2.434 0.267 1.00 0.00 C ATOM 257 CG TRP A 20 11.583 3.309 -0.861 1.00 0.00 C ATOM 258 CD1 TRP A 20 11.435 4.649 -0.804 1.00 0.00 C ATOM 259 CD2 TRP A 20 11.384 2.951 -2.258 1.00 0.00 C ATOM 260 NE1 TRP A 20 11.175 5.144 -2.060 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.136 4.143 -2.999 1.00 0.00 C ATOM 262 CE3 TRP A 20 11.411 1.741 -2.979 1.00 0.00 C ATOM 263 CZ2 TRP A 20 10.919 4.139 -4.381 1.00 0.00 C ATOM 264 CZ3 TRP A 20 11.193 1.725 -4.366 1.00 0.00 C ATOM 265 CH2 TRP A 20 10.921 2.916 -5.062 1.00 0.00 C ATOM 0 H TRP A 20 10.837 3.678 2.111 1.00 0.00 H new ATOM 0 HA TRP A 20 10.273 1.213 0.632 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.722 3.008 0.880 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.589 1.603 -0.158 1.00 0.00 H new ATOM 0 HD1 TRP A 20 11.510 5.244 0.094 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.029 6.132 -2.268 1.00 0.00 H new ATOM 0 HE3 TRP A 20 11.602 0.814 -2.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 10.753 5.064 -4.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.235 0.789 -4.903 1.00 0.00 H new ATOM 0 HH2 TRP A 20 10.714 2.887 -6.122 1.00 0.00 H new ATOM 276 N LYS A 21 10.886 0.495 3.243 1.00 0.00 N ATOM 277 CA LYS A 21 11.312 -0.633 4.066 1.00 0.00 C ATOM 278 C LYS A 21 10.669 -1.909 3.513 1.00 0.00 C ATOM 279 O LYS A 21 10.049 -1.889 2.448 1.00 0.00 O ATOM 280 CB LYS A 21 11.040 -0.360 5.557 1.00 0.00 C ATOM 281 CG LYS A 21 12.378 -0.256 6.304 1.00 0.00 C ATOM 282 CD LYS A 21 13.226 0.908 5.769 1.00 0.00 C ATOM 283 CE LYS A 21 14.734 0.711 5.975 1.00 0.00 C ATOM 284 NZ LYS A 21 15.306 -0.329 5.090 1.00 0.00 N ATOM 0 H LYS A 21 9.955 0.842 3.474 1.00 0.00 H new ATOM 0 HA LYS A 21 12.391 -0.775 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.473 0.564 5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.434 -1.161 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.193 -0.115 7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.930 -1.190 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.026 1.034 4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.917 1.829 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.247 1.656 5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.921 0.440 7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.340 -0.348 5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.914 -1.257 5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.067 -0.113 4.101 1.00 0.00 H new ATOM 298 N GLN A 22 10.864 -3.047 4.179 1.00 0.00 N ATOM 299 CA GLN A 22 10.157 -4.264 3.805 1.00 0.00 C ATOM 300 C GLN A 22 8.668 -4.020 4.036 1.00 0.00 C ATOM 301 O GLN A 22 8.278 -3.305 4.956 1.00 0.00 O ATOM 302 CB GLN A 22 10.664 -5.432 4.651 1.00 0.00 C ATOM 303 CG GLN A 22 9.939 -6.777 4.536 1.00 0.00 C ATOM 304 CD GLN A 22 9.910 -7.370 3.137 1.00 0.00 C ATOM 305 OE1 GLN A 22 10.705 -7.022 2.270 1.00 0.00 O ATOM 306 NE2 GLN A 22 8.952 -8.247 2.881 1.00 0.00 N ATOM 0 H GLN A 22 11.499 -3.148 4.971 1.00 0.00 H new ATOM 0 HA GLN A 22 10.329 -4.516 2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.712 -5.596 4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.632 -5.125 5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.418 -7.490 5.207 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.913 -6.651 4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.302 -8.522 3.617 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.864 -8.648 1.947 1.00 0.00 H new ATOM 315 N ASN A 23 7.853 -4.639 3.194 1.00 0.00 N ATOM 316 CA ASN A 23 6.440 -4.290 3.024 1.00 0.00 C ATOM 317 C ASN A 23 5.561 -5.508 2.780 1.00 0.00 C ATOM 318 O ASN A 23 4.337 -5.392 2.793 1.00 0.00 O ATOM 319 CB ASN A 23 6.262 -3.280 1.876 1.00 0.00 C ATOM 320 CG ASN A 23 6.543 -1.845 2.310 1.00 0.00 C ATOM 321 OD1 ASN A 23 6.377 -1.495 3.473 1.00 0.00 O ATOM 322 ND2 ASN A 23 6.960 -0.993 1.390 1.00 0.00 N ATOM 0 H ASN A 23 8.154 -5.410 2.598 1.00 0.00 H new ATOM 0 HA ASN A 23 6.118 -3.836 3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.930 -3.545 1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.244 -3.347 1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.150 -0.023 1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.092 -1.305 0.428 1.00 0.00 H new ATOM 329 N TRP A 24 6.138 -6.693 2.581 1.00 0.00 N ATOM 330 CA TRP A 24 5.386 -7.916 2.463 1.00 0.00 C ATOM 331 C TRP A 24 5.505 -8.630 3.805 1.00 0.00 C ATOM 332 O TRP A 24 6.557 -8.573 4.438 1.00 0.00 O ATOM 333 CB TRP A 24 5.964 -8.715 1.292 1.00 0.00 C ATOM 334 CG TRP A 24 5.747 -10.183 1.367 1.00 0.00 C ATOM 335 CD1 TRP A 24 6.538 -11.042 2.033 1.00 0.00 C ATOM 336 CD2 TRP A 24 4.655 -10.973 0.834 1.00 0.00 C ATOM 337 NE1 TRP A 24 6.030 -12.321 1.907 1.00 0.00 N ATOM 338 CE2 TRP A 24 4.864 -12.340 1.168 1.00 0.00 C ATOM 339 CE3 TRP A 24 3.498 -10.658 0.108 1.00 0.00 C ATOM 340 CZ2 TRP A 24 3.976 -13.351 0.759 1.00 0.00 C ATOM 341 CZ3 TRP A 24 2.617 -11.656 -0.317 1.00 0.00 C ATOM 342 CH2 TRP A 24 2.861 -13.003 -0.025 1.00 0.00 C ATOM 0 H TRP A 24 7.147 -6.819 2.498 1.00 0.00 H new ATOM 0 HA TRP A 24 4.328 -7.763 2.250 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.524 -8.344 0.366 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.036 -8.524 1.235 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.430 -10.775 2.580 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.464 -13.151 2.311 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.284 -9.626 -0.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.147 -14.379 1.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.735 -11.384 -0.879 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.198 -13.769 -0.399 1.00 0.00 H new ATOM 353 N ASN A 25 4.425 -9.290 4.223 1.00 0.00 N ATOM 354 CA ASN A 25 4.392 -10.165 5.394 1.00 0.00 C ATOM 355 C ASN A 25 4.874 -9.448 6.660 1.00 0.00 C ATOM 356 O ASN A 25 5.699 -9.962 7.407 1.00 0.00 O ATOM 357 CB ASN A 25 5.197 -11.435 5.087 1.00 0.00 C ATOM 358 CG ASN A 25 4.883 -12.583 6.032 1.00 0.00 C ATOM 359 OD1 ASN A 25 5.657 -12.909 6.927 1.00 0.00 O ATOM 360 ND2 ASN A 25 3.758 -13.247 5.805 1.00 0.00 N ATOM 0 H ASN A 25 3.526 -9.229 3.744 1.00 0.00 H new ATOM 0 HA ASN A 25 3.361 -10.451 5.603 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.993 -11.749 4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.261 -11.206 5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.516 -14.053 6.382 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.134 -12.952 5.054 1.00 0.00 H new ATOM 367 N THR A 26 4.352 -8.242 6.889 1.00 0.00 N ATOM 368 CA THR A 26 4.759 -7.339 7.957 1.00 0.00 C ATOM 369 C THR A 26 3.526 -6.587 8.485 1.00 0.00 C ATOM 370 O THR A 26 2.401 -6.968 8.152 1.00 0.00 O ATOM 371 CB THR A 26 5.907 -6.455 7.449 1.00 0.00 C ATOM 372 OG1 THR A 26 6.397 -5.613 8.472 1.00 0.00 O ATOM 373 CG2 THR A 26 5.480 -5.611 6.246 1.00 0.00 C ATOM 0 H THR A 26 3.605 -7.856 6.311 1.00 0.00 H new ATOM 0 HA THR A 26 5.158 -7.872 8.820 1.00 0.00 H new ATOM 0 HB THR A 26 6.705 -7.127 7.133 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.128 -5.063 8.121 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.319 -4.999 5.915 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.167 -6.267 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.650 -4.965 6.531 1.00 0.00 H new ATOM 381 N CYS A 27 3.712 -5.614 9.378 1.00 0.00 N ATOM 382 CA CYS A 27 2.677 -4.886 10.097 1.00 0.00 C ATOM 383 C CYS A 27 3.186 -3.479 10.437 1.00 0.00 C ATOM 384 O CYS A 27 3.470 -3.158 11.595 1.00 0.00 O ATOM 385 CB CYS A 27 2.306 -5.676 11.353 1.00 0.00 C ATOM 386 SG CYS A 27 0.928 -5.048 12.342 1.00 0.00 S ATOM 0 H CYS A 27 4.648 -5.297 9.631 1.00 0.00 H new ATOM 0 HA CYS A 27 1.783 -4.775 9.484 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.070 -6.697 11.053 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.187 -5.727 11.993 1.00 0.00 H new ATOM 391 N VAL A 28 3.391 -2.667 9.398 1.00 0.00 N ATOM 392 CA VAL A 28 4.114 -1.401 9.469 1.00 0.00 C ATOM 393 C VAL A 28 3.120 -0.238 9.437 1.00 0.00 C ATOM 394 O VAL A 28 2.366 -0.128 8.470 1.00 0.00 O ATOM 395 CB VAL A 28 5.090 -1.310 8.283 1.00 0.00 C ATOM 396 CG1 VAL A 28 6.030 -0.115 8.437 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.960 -2.564 8.169 1.00 0.00 C ATOM 0 H VAL A 28 3.049 -2.880 8.461 1.00 0.00 H new ATOM 0 HA VAL A 28 4.679 -1.348 10.399 1.00 0.00 H new ATOM 0 HB VAL A 28 4.475 -1.202 7.390 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.709 -0.074 7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.446 0.804 8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.606 -0.222 9.356 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.636 -2.462 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.541 -2.688 9.083 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.323 -3.437 8.023 1.00 0.00 H new ATOM 407 N GLY A 29 3.102 0.611 10.469 1.00 0.00 N ATOM 408 CA GLY A 29 2.275 1.805 10.529 1.00 0.00 C ATOM 409 C GLY A 29 2.879 2.977 9.761 1.00 0.00 C ATOM 410 O GLY A 29 4.037 3.344 9.958 1.00 0.00 O ATOM 0 H GLY A 29 3.677 0.478 11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.288 1.580 10.124 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.134 2.092 11.571 1.00 0.00 H new ATOM 414 N ILE A 30 2.073 3.566 8.885 1.00 0.00 N ATOM 415 CA ILE A 30 2.357 4.722 8.046 1.00 0.00 C ATOM 416 C ILE A 30 1.253 5.736 8.335 1.00 0.00 C ATOM 417 O ILE A 30 0.244 5.383 8.935 1.00 0.00 O ATOM 418 CB ILE A 30 2.372 4.338 6.557 1.00 0.00 C ATOM 419 CG1 ILE A 30 2.655 2.856 6.282 1.00 0.00 C ATOM 420 CG2 ILE A 30 3.391 5.202 5.794 1.00 0.00 C ATOM 421 CD1 ILE A 30 4.059 2.416 6.676 1.00 0.00 C ATOM 0 H ILE A 30 1.127 3.218 8.732 1.00 0.00 H new ATOM 0 HA ILE A 30 3.342 5.133 8.266 1.00 0.00 H new ATOM 0 HB ILE A 30 1.359 4.526 6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.929 2.250 6.824 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.507 2.658 5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.391 4.920 4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.119 6.253 5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.386 5.046 6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.185 1.357 6.452 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.793 2.995 6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.206 2.581 7.743 1.00 0.00 H new ATOM 433 N GLY A 31 1.405 6.987 7.919 1.00 0.00 N ATOM 434 CA GLY A 31 0.308 7.930 7.926 1.00 0.00 C ATOM 435 C GLY A 31 0.815 9.336 7.671 1.00 0.00 C ATOM 436 O GLY A 31 2.016 9.549 7.513 1.00 0.00 O ATOM 0 H GLY A 31 2.285 7.368 7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.420 7.656 7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.207 7.891 8.886 1.00 0.00 H new ATOM 440 N ALA A 32 -0.122 10.281 7.681 1.00 0.00 N ATOM 441 CA ALA A 32 0.056 11.704 7.466 1.00 0.00 C ATOM 442 C ALA A 32 0.459 11.983 6.023 1.00 0.00 C ATOM 443 O ALA A 32 1.614 11.810 5.669 1.00 0.00 O ATOM 444 CB ALA A 32 1.051 12.260 8.476 1.00 0.00 C ATOM 0 H ALA A 32 -1.100 10.047 7.854 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.891 12.220 7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.180 13.329 8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.676 12.093 9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.010 11.756 8.357 1.00 0.00 H new ATOM 450 N ASN A 33 -0.502 12.380 5.189 1.00 0.00 N ATOM 451 CA ASN A 33 -0.354 12.645 3.749 1.00 0.00 C ATOM 452 C ASN A 33 -0.200 11.347 2.969 1.00 0.00 C ATOM 453 O ASN A 33 0.110 11.363 1.785 1.00 0.00 O ATOM 454 CB ASN A 33 0.819 13.582 3.385 1.00 0.00 C ATOM 455 CG ASN A 33 0.551 15.048 3.644 1.00 0.00 C ATOM 456 OD1 ASN A 33 -0.163 15.688 2.878 1.00 0.00 O ATOM 457 ND2 ASN A 33 1.186 15.624 4.658 1.00 0.00 N ATOM 0 H ASN A 33 -1.457 12.535 5.512 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.273 13.161 3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.699 13.280 3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.060 13.450 2.330 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.088 16.627 4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.772 15.064 5.277 1.00 0.00 H new ATOM 464 N VAL A 34 -0.384 10.202 3.610 1.00 0.00 N ATOM 465 CA VAL A 34 -0.176 8.928 2.962 1.00 0.00 C ATOM 466 C VAL A 34 -1.467 8.584 2.222 1.00 0.00 C ATOM 467 O VAL A 34 -2.421 8.103 2.834 1.00 0.00 O ATOM 468 CB VAL A 34 0.236 7.923 4.042 1.00 0.00 C ATOM 469 CG1 VAL A 34 0.278 6.493 3.521 1.00 0.00 C ATOM 470 CG2 VAL A 34 1.635 8.297 4.529 1.00 0.00 C ATOM 0 H VAL A 34 -0.679 10.136 4.584 1.00 0.00 H new ATOM 0 HA VAL A 34 0.623 8.927 2.220 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.504 7.965 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.575 5.821 4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.710 6.209 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.998 6.424 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.952 7.595 5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.334 8.258 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.619 9.306 4.941 1.00 0.00 H new ATOM 480 N HIS A 35 -1.516 8.865 0.919 1.00 0.00 N ATOM 481 CA HIS A 35 -2.660 8.510 0.086 1.00 0.00 C ATOM 482 C HIS A 35 -2.255 8.079 -1.320 1.00 0.00 C ATOM 483 O HIS A 35 -3.022 8.216 -2.276 1.00 0.00 O ATOM 484 CB HIS A 35 -3.724 9.613 0.094 1.00 0.00 C ATOM 485 CG HIS A 35 -3.450 10.904 -0.642 1.00 0.00 C ATOM 486 ND1 HIS A 35 -4.303 11.495 -1.546 1.00 0.00 N ATOM 487 CD2 HIS A 35 -2.401 11.764 -0.465 1.00 0.00 C ATOM 488 CE1 HIS A 35 -3.755 12.652 -1.938 1.00 0.00 C ATOM 489 NE2 HIS A 35 -2.580 12.861 -1.318 1.00 0.00 N ATOM 0 H HIS A 35 -0.768 9.342 0.416 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.120 7.629 0.533 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.640 9.189 -0.317 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.928 9.865 1.135 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.575 11.622 0.216 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.197 13.327 -2.656 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.950 13.653 -1.443 1.00 0.00 H new ATOM 497 N TRP A 36 -1.059 7.516 -1.453 1.00 0.00 N ATOM 498 CA TRP A 36 -0.557 7.039 -2.722 1.00 0.00 C ATOM 499 C TRP A 36 0.243 5.781 -2.469 1.00 0.00 C ATOM 500 O TRP A 36 1.132 5.798 -1.631 1.00 0.00 O ATOM 501 CB TRP A 36 0.328 8.112 -3.343 1.00 0.00 C ATOM 502 CG TRP A 36 -0.407 9.365 -3.673 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.653 10.390 -2.831 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.146 9.662 -4.885 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.380 11.356 -3.490 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.732 10.953 -4.761 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.416 8.940 -6.061 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.497 11.526 -5.786 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.146 9.515 -7.115 1.00 0.00 C ATOM 510 CH2 TRP A 36 -2.679 10.811 -6.982 1.00 0.00 C ATOM 0 H TRP A 36 -0.413 7.380 -0.676 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.377 6.821 -3.407 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.140 8.346 -2.655 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.784 7.717 -4.251 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.330 10.444 -1.802 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.628 12.260 -3.087 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.056 7.926 -6.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.940 12.503 -5.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.299 8.961 -8.030 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.228 11.256 -7.799 1.00 0.00 H new ATOM 521 N MET A 37 -0.060 4.701 -3.172 1.00 0.00 N ATOM 522 CA MET A 37 0.844 3.575 -3.302 1.00 0.00 C ATOM 523 C MET A 37 1.428 3.653 -4.704 1.00 0.00 C ATOM 524 O MET A 37 0.688 3.917 -5.647 1.00 0.00 O ATOM 525 CB MET A 37 0.104 2.278 -2.987 1.00 0.00 C ATOM 526 CG MET A 37 1.061 1.117 -2.709 1.00 0.00 C ATOM 527 SD MET A 37 0.238 -0.371 -2.105 1.00 0.00 S ATOM 528 CE MET A 37 -0.257 0.131 -0.450 1.00 0.00 C ATOM 0 H MET A 37 -0.943 4.583 -3.669 1.00 0.00 H new ATOM 0 HA MET A 37 1.669 3.600 -2.590 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.540 2.431 -2.121 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.544 2.019 -3.824 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.602 0.876 -3.624 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.801 1.436 -1.975 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.897 -0.636 -0.014 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.629 0.260 0.171 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.803 1.073 -0.504 1.00 0.00 H new ATOM 538 N VAL A 38 2.742 3.511 -4.852 1.00 0.00 N ATOM 539 CA VAL A 38 3.396 3.688 -6.141 1.00 0.00 C ATOM 540 C VAL A 38 4.183 2.415 -6.412 1.00 0.00 C ATOM 541 O VAL A 38 5.373 2.322 -6.123 1.00 0.00 O ATOM 542 CB VAL A 38 4.226 4.986 -6.162 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.630 5.304 -7.606 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.415 6.178 -5.630 1.00 0.00 C ATOM 0 H VAL A 38 3.376 3.273 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 38 2.684 3.824 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 38 5.100 4.833 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.218 6.222 -7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.225 4.483 -8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.735 5.433 -8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.030 7.078 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.531 6.323 -6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.108 5.980 -4.603 1.00 0.00 H new ATOM 554 N THR A 39 3.479 1.399 -6.899 1.00 0.00 N ATOM 555 CA THR A 39 4.010 0.047 -6.992 1.00 0.00 C ATOM 556 C THR A 39 4.584 -0.144 -8.397 1.00 0.00 C ATOM 557 O THR A 39 4.129 0.513 -9.333 1.00 0.00 O ATOM 558 CB THR A 39 2.897 -0.945 -6.601 1.00 0.00 C ATOM 559 OG1 THR A 39 3.403 -2.179 -6.135 1.00 0.00 O ATOM 560 CG2 THR A 39 1.885 -1.212 -7.711 1.00 0.00 C ATOM 0 H THR A 39 2.522 1.492 -7.241 1.00 0.00 H new ATOM 0 HA THR A 39 4.831 -0.138 -6.299 1.00 0.00 H new ATOM 0 HB THR A 39 2.376 -0.439 -5.788 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.382 -2.168 -6.178 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.135 -1.920 -7.357 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.399 -0.278 -7.992 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.397 -1.630 -8.578 1.00 0.00 H new ATOM 568 N GLY A 40 5.588 -1.007 -8.568 1.00 0.00 N ATOM 569 CA GLY A 40 6.287 -1.204 -9.833 1.00 0.00 C ATOM 570 C GLY A 40 7.762 -1.418 -9.581 1.00 0.00 C ATOM 571 O GLY A 40 8.141 -1.544 -8.429 1.00 0.00 O ATOM 0 H GLY A 40 5.942 -1.598 -7.815 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.871 -2.064 -10.358 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.142 -0.337 -10.477 1.00 0.00 H new ATOM 575 N GLY A 41 8.595 -1.470 -10.618 1.00 0.00 N ATOM 576 CA GLY A 41 10.042 -1.502 -10.426 1.00 0.00 C ATOM 577 C GLY A 41 10.788 -1.893 -11.693 1.00 0.00 C ATOM 578 O GLY A 41 11.878 -1.381 -11.955 1.00 0.00 O ATOM 0 H GLY A 41 8.295 -1.491 -11.593 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.383 -0.521 -10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.285 -2.209 -9.632 1.00 0.00 H new ATOM 582 N SER A 42 10.199 -2.780 -12.491 1.00 0.00 N ATOM 583 CA SER A 42 10.600 -3.027 -13.853 1.00 0.00 C ATOM 584 C SER A 42 9.524 -2.411 -14.747 1.00 0.00 C ATOM 585 O SER A 42 9.527 -1.203 -14.975 1.00 0.00 O ATOM 586 CB SER A 42 10.769 -4.537 -14.021 1.00 0.00 C ATOM 587 OG SER A 42 12.072 -4.890 -13.604 1.00 0.00 O ATOM 0 H SER A 42 9.412 -3.355 -12.191 1.00 0.00 H new ATOM 0 HA SER A 42 11.553 -2.575 -14.127 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.024 -5.070 -13.430 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.614 -4.822 -15.061 1.00 0.00 H new ATOM 0 HG SER A 42 12.197 -5.857 -13.704 1.00 0.00 H new ATOM 593 N THR A 43 8.569 -3.219 -15.195 1.00 0.00 N ATOM 594 CA THR A 43 7.399 -2.780 -15.932 1.00 0.00 C ATOM 595 C THR A 43 6.362 -3.878 -15.715 1.00 0.00 C ATOM 596 O THR A 43 5.353 -3.692 -15.038 1.00 0.00 O ATOM 597 CB THR A 43 7.778 -2.465 -17.400 1.00 0.00 C ATOM 598 OG1 THR A 43 6.691 -1.950 -18.147 1.00 0.00 O ATOM 599 CG2 THR A 43 8.389 -3.616 -18.200 1.00 0.00 C ATOM 0 H THR A 43 8.593 -4.228 -15.048 1.00 0.00 H new ATOM 0 HA THR A 43 6.971 -1.838 -15.589 1.00 0.00 H new ATOM 0 HB THR A 43 8.556 -1.713 -17.270 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.982 -1.766 -19.064 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.613 -3.277 -19.212 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.308 -3.948 -17.717 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.682 -4.445 -18.243 1.00 0.00 H new ATOM 607 N ASP A 44 6.682 -5.072 -16.197 1.00 0.00 N ATOM 608 CA ASP A 44 5.883 -6.280 -16.170 1.00 0.00 C ATOM 609 C ASP A 44 6.088 -6.966 -14.820 1.00 0.00 C ATOM 610 O ASP A 44 6.313 -8.169 -14.766 1.00 0.00 O ATOM 611 CB ASP A 44 6.317 -7.210 -17.329 1.00 0.00 C ATOM 612 CG ASP A 44 7.807 -7.196 -17.621 1.00 0.00 C ATOM 613 OD1 ASP A 44 8.593 -6.823 -16.725 1.00 0.00 O ATOM 614 OD2 ASP A 44 8.180 -7.458 -18.780 1.00 0.00 O ATOM 0 H ASP A 44 7.581 -5.228 -16.653 1.00 0.00 H new ATOM 0 HA ASP A 44 4.826 -6.044 -16.297 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.015 -8.230 -17.092 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.780 -6.920 -18.232 1.00 0.00 H new ATOM 619 N GLY A 45 5.948 -6.216 -13.728 1.00 0.00 N ATOM 620 CA GLY A 45 6.078 -6.759 -12.382 1.00 0.00 C ATOM 621 C GLY A 45 4.807 -7.479 -11.921 1.00 0.00 C ATOM 622 O GLY A 45 4.742 -7.914 -10.773 1.00 0.00 O ATOM 0 H GLY A 45 5.742 -5.217 -13.754 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.918 -7.454 -12.352 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.308 -5.951 -11.687 1.00 0.00 H new ATOM 626 N LYS A 46 3.791 -7.553 -12.793 1.00 0.00 N ATOM 627 CA LYS A 46 2.429 -7.992 -12.513 1.00 0.00 C ATOM 628 C LYS A 46 1.760 -7.098 -11.467 1.00 0.00 C ATOM 629 O LYS A 46 2.422 -6.338 -10.756 1.00 0.00 O ATOM 630 CB LYS A 46 2.381 -9.467 -12.102 1.00 0.00 C ATOM 631 CG LYS A 46 2.991 -10.397 -13.161 1.00 0.00 C ATOM 632 CD LYS A 46 2.691 -11.869 -12.831 1.00 0.00 C ATOM 633 CE LYS A 46 3.129 -12.192 -11.394 1.00 0.00 C ATOM 634 NZ LYS A 46 3.444 -13.615 -11.176 1.00 0.00 N ATOM 0 H LYS A 46 3.913 -7.290 -13.771 1.00 0.00 H new ATOM 0 HA LYS A 46 1.862 -7.898 -13.439 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.915 -9.595 -11.161 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.346 -9.757 -11.923 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.589 -10.150 -14.144 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.069 -10.243 -13.210 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.625 -12.065 -12.946 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.213 -12.520 -13.533 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.006 -11.593 -11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.337 -11.895 -10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.731 -13.759 -10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.603 -14.192 -11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.220 -13.899 -11.807 1.00 0.00 H new ATOM 648 N GLN A 47 0.432 -7.163 -11.364 1.00 0.00 N ATOM 649 CA GLN A 47 -0.211 -6.527 -10.233 1.00 0.00 C ATOM 650 C GLN A 47 0.121 -7.307 -8.980 1.00 0.00 C ATOM 651 O GLN A 47 0.458 -8.487 -9.032 1.00 0.00 O ATOM 652 CB GLN A 47 -1.724 -6.322 -10.424 1.00 0.00 C ATOM 653 CG GLN A 47 -2.667 -7.461 -10.021 1.00 0.00 C ATOM 654 CD GLN A 47 -4.072 -6.915 -9.773 1.00 0.00 C ATOM 655 OE1 GLN A 47 -4.471 -5.871 -10.295 1.00 0.00 O ATOM 656 NE2 GLN A 47 -4.842 -7.576 -8.930 1.00 0.00 N ATOM 0 H GLN A 47 -0.190 -7.630 -12.023 1.00 0.00 H new ATOM 0 HA GLN A 47 0.183 -5.515 -10.138 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.013 -5.435 -9.860 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.900 -6.102 -11.477 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.695 -8.216 -10.807 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.295 -7.951 -9.121 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.506 -8.439 -8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.773 -7.224 -8.707 1.00 0.00 H new ATOM 665 N GLY A 48 -0.026 -6.651 -7.845 1.00 0.00 N ATOM 666 CA GLY A 48 -0.067 -7.338 -6.570 1.00 0.00 C ATOM 667 C GLY A 48 -0.891 -6.487 -5.631 1.00 0.00 C ATOM 668 O GLY A 48 -1.292 -5.373 -5.993 1.00 0.00 O ATOM 0 H GLY A 48 -0.119 -5.637 -7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.509 -8.328 -6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.940 -7.481 -6.177 1.00 0.00 H new ATOM 672 N CYS A 49 -1.175 -7.002 -4.444 1.00 0.00 N ATOM 673 CA CYS A 49 -2.227 -6.451 -3.617 1.00 0.00 C ATOM 674 C CYS A 49 -1.654 -6.229 -2.246 1.00 0.00 C ATOM 675 O CYS A 49 -0.645 -6.818 -1.870 1.00 0.00 O ATOM 676 CB CYS A 49 -3.392 -7.435 -3.505 1.00 0.00 C ATOM 677 SG CYS A 49 -4.350 -7.771 -4.994 1.00 0.00 S ATOM 0 H CYS A 49 -0.689 -7.801 -4.036 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.594 -5.523 -4.056 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.997 -8.383 -3.139 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.076 -7.060 -2.744 1.00 0.00 H new ATOM 682 N ALA A 50 -2.303 -5.372 -1.478 1.00 0.00 N ATOM 683 CA ALA A 50 -1.960 -5.152 -0.094 1.00 0.00 C ATOM 684 C ALA A 50 -3.236 -5.004 0.691 1.00 0.00 C ATOM 685 O ALA A 50 -4.149 -4.304 0.254 1.00 0.00 O ATOM 686 CB ALA A 50 -1.071 -3.915 0.078 1.00 0.00 C ATOM 0 H ALA A 50 -3.088 -4.808 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.388 -6.004 0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.833 -3.782 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.149 -4.048 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.598 -3.034 -0.289 1.00 0.00 H new ATOM 692 N THR A 51 -3.239 -5.580 1.882 1.00 0.00 N ATOM 693 CA THR A 51 -4.209 -5.122 2.860 1.00 0.00 C ATOM 694 C THR A 51 -3.587 -3.891 3.498 1.00 0.00 C ATOM 695 O THR A 51 -2.447 -3.932 3.964 1.00 0.00 O ATOM 696 CB THR A 51 -4.577 -6.191 3.894 1.00 0.00 C ATOM 697 OG1 THR A 51 -5.189 -7.264 3.217 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.596 -5.632 4.894 1.00 0.00 C ATOM 0 H THR A 51 -2.615 -6.328 2.185 1.00 0.00 H new ATOM 0 HA THR A 51 -5.161 -4.891 2.381 1.00 0.00 H new ATOM 0 HB THR A 51 -3.677 -6.506 4.422 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.432 -7.962 3.861 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.849 -6.401 5.624 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.167 -4.772 5.408 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.497 -5.325 4.362 1.00 0.00 H new ATOM 706 N ILE A 52 -4.328 -2.790 3.443 1.00 0.00 N ATOM 707 CA ILE A 52 -4.027 -1.550 4.125 1.00 0.00 C ATOM 708 C ILE A 52 -4.968 -1.514 5.337 1.00 0.00 C ATOM 709 O ILE A 52 -6.081 -2.043 5.246 1.00 0.00 O ATOM 710 CB ILE A 52 -4.252 -0.367 3.160 1.00 0.00 C ATOM 711 CG1 ILE A 52 -3.531 -0.603 1.817 1.00 0.00 C ATOM 712 CG2 ILE A 52 -3.756 0.937 3.795 1.00 0.00 C ATOM 713 CD1 ILE A 52 -3.636 0.590 0.860 1.00 0.00 C ATOM 0 H ILE A 52 -5.189 -2.742 2.898 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.990 -1.478 4.454 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.322 -0.288 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.479 -0.816 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.952 -1.486 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.920 1.764 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.303 1.122 4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.691 0.853 4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.109 0.361 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.685 0.789 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.189 1.469 1.324 1.00 0.00 H new ATOM 725 N TRP A 53 -4.539 -0.936 6.458 1.00 0.00 N ATOM 726 CA TRP A 53 -5.296 -0.817 7.697 1.00 0.00 C ATOM 727 C TRP A 53 -5.423 0.640 8.119 1.00 0.00 C ATOM 728 O TRP A 53 -4.633 1.492 7.715 1.00 0.00 O ATOM 729 CB TRP A 53 -4.593 -1.574 8.824 1.00 0.00 C ATOM 730 CG TRP A 53 -4.864 -3.036 8.913 1.00 0.00 C ATOM 731 CD1 TRP A 53 -5.810 -3.610 9.685 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.194 -4.126 8.226 1.00 0.00 C ATOM 733 NE1 TRP A 53 -5.742 -4.977 9.558 1.00 0.00 N ATOM 734 CE2 TRP A 53 -4.759 -5.359 8.670 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.156 -4.194 7.279 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.307 -6.602 8.203 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -2.693 -5.433 6.810 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.259 -6.636 7.269 1.00 0.00 C ATOM 0 H TRP A 53 -3.611 -0.519 6.527 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.285 -1.237 7.516 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.518 -1.433 8.711 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.877 -1.116 9.771 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.513 -3.077 10.308 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.345 -5.629 10.059 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.710 -3.283 6.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.758 -7.518 8.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.891 -5.463 6.087 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.889 -7.583 6.904 1.00 0.00 H new ATOM 749 N GLU A 54 -6.399 0.895 8.985 1.00 0.00 N ATOM 750 CA GLU A 54 -6.650 2.172 9.611 1.00 0.00 C ATOM 751 C GLU A 54 -5.696 2.403 10.779 1.00 0.00 C ATOM 752 O GLU A 54 -5.122 3.480 10.913 1.00 0.00 O ATOM 753 CB GLU A 54 -8.112 2.116 10.064 1.00 0.00 C ATOM 754 CG GLU A 54 -8.516 3.020 11.225 1.00 0.00 C ATOM 755 CD GLU A 54 -9.999 2.850 11.464 1.00 0.00 C ATOM 756 OE1 GLU A 54 -10.414 1.681 11.606 1.00 0.00 O ATOM 757 OE2 GLU A 54 -10.675 3.901 11.463 1.00 0.00 O ATOM 0 H GLU A 54 -7.063 0.178 9.278 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.481 3.006 8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.741 2.363 9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.341 1.087 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.954 2.760 12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.285 4.060 10.995 1.00 0.00 H new ATOM 764 N GLY A 55 -5.586 1.432 11.678 1.00 0.00 N ATOM 765 CA GLY A 55 -4.897 1.615 12.941 1.00 0.00 C ATOM 766 C GLY A 55 -3.399 1.473 12.765 1.00 0.00 C ATOM 767 O GLY A 55 -2.919 0.422 12.333 1.00 0.00 O ATOM 0 H GLY A 55 -5.973 0.497 11.548 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.128 2.600 13.346 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.253 0.881 13.664 1.00 0.00 H new ATOM 771 N SER A 56 -2.694 2.544 13.122 1.00 0.00 N ATOM 772 CA SER A 56 -1.252 2.717 13.025 1.00 0.00 C ATOM 773 C SER A 56 -0.569 1.496 13.648 1.00 0.00 C ATOM 774 O SER A 56 -0.649 1.290 14.861 1.00 0.00 O ATOM 775 CB SER A 56 -0.832 4.020 13.735 1.00 0.00 C ATOM 776 OG SER A 56 0.211 4.687 13.045 1.00 0.00 O ATOM 0 H SER A 56 -3.149 3.369 13.513 1.00 0.00 H new ATOM 0 HA SER A 56 -0.948 2.797 11.981 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.694 4.682 13.817 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.507 3.792 14.750 1.00 0.00 H new ATOM 0 HG SER A 56 0.448 5.508 13.525 1.00 0.00 H new ATOM 782 N GLY A 57 0.036 0.656 12.819 1.00 0.00 N ATOM 783 CA GLY A 57 0.611 -0.615 13.163 1.00 0.00 C ATOM 784 C GLY A 57 0.081 -1.652 12.187 1.00 0.00 C ATOM 785 O GLY A 57 0.800 -2.028 11.270 1.00 0.00 O ATOM 0 H GLY A 57 0.139 0.868 11.827 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.699 -0.567 13.114 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.350 -0.887 14.186 1.00 0.00 H new ATOM 789 N CYS A 58 -1.182 -2.052 12.358 1.00 0.00 N ATOM 790 CA CYS A 58 -2.051 -2.796 11.444 1.00 0.00 C ATOM 791 C CYS A 58 -3.243 -3.389 12.202 1.00 0.00 C ATOM 792 O CYS A 58 -3.497 -4.590 12.163 1.00 0.00 O ATOM 793 CB CYS A 58 -1.347 -3.821 10.534 1.00 0.00 C ATOM 794 SG CYS A 58 -0.781 -5.408 11.196 1.00 0.00 S ATOM 0 H CYS A 58 -1.670 -1.841 13.229 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.419 -2.060 10.729 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.028 -4.041 9.712 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.477 -3.324 10.104 1.00 0.00 H new ATOM 799 N VAL A 59 -3.991 -2.536 12.907 1.00 0.00 N ATOM 800 CA VAL A 59 -5.224 -2.865 13.594 1.00 0.00 C ATOM 801 C VAL A 59 -6.342 -2.024 12.981 1.00 0.00 C ATOM 802 O VAL A 59 -6.092 -1.213 12.092 1.00 0.00 O ATOM 803 CB VAL A 59 -5.069 -2.615 15.100 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.011 -3.531 15.718 1.00 0.00 C ATOM 805 CG2 VAL A 59 -4.781 -1.159 15.475 1.00 0.00 C ATOM 0 H VAL A 59 -3.734 -1.555 13.014 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.471 -3.920 13.475 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.047 -2.853 15.518 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.930 -3.325 16.785 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.300 -4.572 15.571 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.049 -3.350 15.239 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.687 -1.074 16.558 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.852 -0.839 15.003 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.599 -0.526 15.131 1.00 0.00 H new ATOM 815 N GLY A 60 -7.580 -2.219 13.420 1.00 0.00 N ATOM 816 CA GLY A 60 -8.683 -1.382 12.974 1.00 0.00 C ATOM 817 C GLY A 60 -9.212 -1.874 11.634 1.00 0.00 C ATOM 818 O GLY A 60 -9.034 -3.045 11.278 1.00 0.00 O ATOM 0 H GLY A 60 -7.843 -2.948 14.083 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.482 -1.396 13.715 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.350 -0.348 12.884 1.00 0.00 H new ATOM 822 N ARG A 61 -9.894 -1.001 10.901 1.00 0.00 N ATOM 823 CA ARG A 61 -10.576 -1.389 9.684 1.00 0.00 C ATOM 824 C ARG A 61 -9.560 -1.455 8.573 1.00 0.00 C ATOM 825 O ARG A 61 -8.503 -0.836 8.660 1.00 0.00 O ATOM 826 CB ARG A 61 -11.758 -0.453 9.401 1.00 0.00 C ATOM 827 CG ARG A 61 -12.880 -1.219 8.690 1.00 0.00 C ATOM 828 CD ARG A 61 -14.124 -0.341 8.564 1.00 0.00 C ATOM 829 NE ARG A 61 -15.278 -1.113 8.081 1.00 0.00 N ATOM 830 CZ ARG A 61 -16.535 -0.651 8.045 1.00 0.00 C ATOM 831 NH1 ARG A 61 -16.808 0.600 8.417 1.00 0.00 N ATOM 832 NH2 ARG A 61 -17.510 -1.445 7.612 1.00 0.00 N ATOM 0 H ARG A 61 -9.986 -0.013 11.136 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.021 -2.379 9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.130 -0.032 10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.430 0.383 8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.546 -1.532 7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.121 -2.125 9.247 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.359 0.101 9.532 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.922 0.482 7.879 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.111 -2.064 7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.057 1.214 8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.768 0.943 8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.297 -2.396 7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.470 -1.103 7.581 1.00 0.00 H new ATOM 846 N SER A 62 -9.817 -2.305 7.588 1.00 0.00 N ATOM 847 CA SER A 62 -8.821 -2.617 6.597 1.00 0.00 C ATOM 848 C SER A 62 -9.453 -2.808 5.226 1.00 0.00 C ATOM 849 O SER A 62 -10.671 -2.938 5.113 1.00 0.00 O ATOM 850 CB SER A 62 -7.956 -3.798 7.064 1.00 0.00 C ATOM 851 OG SER A 62 -8.494 -4.454 8.207 1.00 0.00 O ATOM 0 H SER A 62 -10.708 -2.785 7.462 1.00 0.00 H new ATOM 0 HA SER A 62 -8.142 -1.772 6.483 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.859 -4.516 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.953 -3.440 7.294 1.00 0.00 H new ATOM 0 HG SER A 62 -7.807 -4.515 8.903 1.00 0.00 H new ATOM 857 N THR A 63 -8.636 -2.782 4.181 1.00 0.00 N ATOM 858 CA THR A 63 -9.090 -2.743 2.800 1.00 0.00 C ATOM 859 C THR A 63 -8.018 -3.390 1.933 1.00 0.00 C ATOM 860 O THR A 63 -6.845 -3.035 2.056 1.00 0.00 O ATOM 861 CB THR A 63 -9.344 -1.284 2.375 1.00 0.00 C ATOM 862 OG1 THR A 63 -8.722 -0.376 3.267 1.00 0.00 O ATOM 863 CG2 THR A 63 -10.842 -0.975 2.343 1.00 0.00 C ATOM 0 H THR A 63 -7.620 -2.788 4.273 1.00 0.00 H new ATOM 0 HA THR A 63 -10.027 -3.288 2.685 1.00 0.00 H new ATOM 0 HB THR A 63 -8.921 -1.167 1.377 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.386 -0.036 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.993 0.061 2.040 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.335 -1.637 1.631 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.266 -1.129 3.335 1.00 0.00 H new ATOM 871 N THR A 64 -8.408 -4.344 1.093 1.00 0.00 N ATOM 872 CA THR A 64 -7.513 -4.989 0.155 1.00 0.00 C ATOM 873 C THR A 64 -7.394 -4.088 -1.069 1.00 0.00 C ATOM 874 O THR A 64 -8.220 -4.161 -1.980 1.00 0.00 O ATOM 875 CB THR A 64 -8.062 -6.380 -0.169 1.00 0.00 C ATOM 876 OG1 THR A 64 -9.442 -6.294 -0.477 1.00 0.00 O ATOM 877 CG2 THR A 64 -7.873 -7.259 1.068 1.00 0.00 C ATOM 0 H THR A 64 -9.366 -4.690 1.049 1.00 0.00 H new ATOM 0 HA THR A 64 -6.512 -5.131 0.563 1.00 0.00 H new ATOM 0 HB THR A 64 -7.537 -6.802 -1.026 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.585 -5.593 -1.147 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.256 -8.259 0.866 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.813 -7.319 1.313 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.415 -6.826 1.908 1.00 0.00 H new ATOM 885 N MET A 65 -6.389 -3.220 -1.069 1.00 0.00 N ATOM 886 CA MET A 65 -6.095 -2.367 -2.205 1.00 0.00 C ATOM 887 C MET A 65 -5.246 -3.194 -3.168 1.00 0.00 C ATOM 888 O MET A 65 -4.253 -3.777 -2.737 1.00 0.00 O ATOM 889 CB MET A 65 -5.343 -1.123 -1.716 1.00 0.00 C ATOM 890 CG MET A 65 -4.896 -0.217 -2.874 1.00 0.00 C ATOM 891 SD MET A 65 -6.166 0.340 -4.036 1.00 0.00 S ATOM 892 CE MET A 65 -7.228 1.301 -2.943 1.00 0.00 C ATOM 0 H MET A 65 -5.757 -3.091 -0.279 1.00 0.00 H new ATOM 0 HA MET A 65 -6.999 -2.026 -2.710 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.984 -0.556 -1.041 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.470 -1.432 -1.142 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.421 0.666 -2.446 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.131 -0.748 -3.441 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.051 1.727 -3.517 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.627 0.654 -2.162 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.649 2.105 -2.488 1.00 0.00 H new ATOM 902 N CYS A 66 -5.598 -3.251 -4.450 1.00 0.00 N ATOM 903 CA CYS A 66 -4.839 -3.982 -5.462 1.00 0.00 C ATOM 904 C CYS A 66 -4.604 -3.084 -6.658 1.00 0.00 C ATOM 905 O CYS A 66 -5.544 -2.457 -7.151 1.00 0.00 O ATOM 906 CB CYS A 66 -5.628 -5.171 -5.989 1.00 0.00 C ATOM 907 SG CYS A 66 -6.010 -6.517 -4.868 1.00 0.00 S ATOM 0 H CYS A 66 -6.427 -2.786 -4.820 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.910 -4.310 -4.995 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.571 -4.793 -6.384 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.074 -5.588 -6.830 1.00 0.00 H new ATOM 912 N CYS A 67 -3.384 -3.058 -7.171 1.00 0.00 N ATOM 913 CA CYS A 67 -2.983 -2.141 -8.243 1.00 0.00 C ATOM 914 C CYS A 67 -1.883 -2.744 -9.120 1.00 0.00 C ATOM 915 O CYS A 67 -1.058 -3.495 -8.594 1.00 0.00 O ATOM 916 CB CYS A 67 -2.467 -0.861 -7.605 1.00 0.00 C ATOM 917 SG CYS A 67 -2.180 0.533 -8.701 1.00 0.00 S ATOM 0 H CYS A 67 -2.634 -3.674 -6.858 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.847 -1.946 -8.879 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.180 -0.551 -6.841 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.532 -1.089 -7.094 1.00 0.00 H new ATOM 922 N PRO A 68 -1.888 -2.493 -10.443 1.00 0.00 N ATOM 923 CA PRO A 68 -0.899 -3.057 -11.351 1.00 0.00 C ATOM 924 C PRO A 68 0.515 -2.533 -11.128 1.00 0.00 C ATOM 925 O PRO A 68 0.725 -1.565 -10.403 1.00 0.00 O ATOM 926 CB PRO A 68 -1.403 -2.794 -12.770 1.00 0.00 C ATOM 927 CG PRO A 68 -2.493 -1.735 -12.631 1.00 0.00 C ATOM 928 CD PRO A 68 -2.950 -1.818 -11.179 1.00 0.00 C ATOM 0 HA PRO A 68 -0.803 -4.126 -11.163 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.596 -2.443 -13.413 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.797 -3.705 -13.221 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.110 -0.742 -12.867 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.319 -1.928 -13.315 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.130 -0.823 -10.773 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.887 -2.369 -11.099 1.00 0.00 H new ATOM 936 N ALA A 69 1.497 -3.155 -11.785 1.00 0.00 N ATOM 937 CA ALA A 69 2.880 -2.737 -11.605 1.00 0.00 C ATOM 938 C ALA A 69 3.091 -1.421 -12.326 1.00 0.00 C ATOM 939 O ALA A 69 2.485 -1.150 -13.362 1.00 0.00 O ATOM 940 CB ALA A 69 3.897 -3.736 -12.166 1.00 0.00 C ATOM 0 H ALA A 69 1.361 -3.932 -12.431 1.00 0.00 H new ATOM 0 HA ALA A 69 3.043 -2.658 -10.530 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.906 -3.361 -11.998 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.778 -4.696 -11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.731 -3.862 -13.236 1.00 0.00 H new ATOM 946 N ASN A 70 3.990 -0.620 -11.774 1.00 0.00 N ATOM 947 CA ASN A 70 4.481 0.611 -12.360 1.00 0.00 C ATOM 948 C ASN A 70 3.320 1.554 -12.568 1.00 0.00 C ATOM 949 O ASN A 70 3.223 2.265 -13.565 1.00 0.00 O ATOM 950 CB ASN A 70 5.335 0.302 -13.590 1.00 0.00 C ATOM 951 CG ASN A 70 6.669 -0.256 -13.118 1.00 0.00 C ATOM 952 OD1 ASN A 70 6.925 -1.457 -13.069 1.00 0.00 O ATOM 953 ND2 ASN A 70 7.517 0.626 -12.628 1.00 0.00 N ATOM 0 H ASN A 70 4.413 -0.821 -10.868 1.00 0.00 H new ATOM 0 HA ASN A 70 5.162 1.140 -11.693 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.828 -0.418 -14.233 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.489 1.204 -14.182 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.391 0.313 -12.205 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.299 1.622 -12.671 1.00 0.00 H new ATOM 960 N THR A 71 2.454 1.574 -11.564 1.00 0.00 N ATOM 961 CA THR A 71 1.225 2.320 -11.544 1.00 0.00 C ATOM 962 C THR A 71 1.244 3.127 -10.254 1.00 0.00 C ATOM 963 O THR A 71 1.567 2.592 -9.190 1.00 0.00 O ATOM 964 CB THR A 71 0.063 1.324 -11.631 1.00 0.00 C ATOM 965 OG1 THR A 71 0.233 0.512 -12.782 1.00 0.00 O ATOM 966 CG2 THR A 71 -1.283 2.033 -11.738 1.00 0.00 C ATOM 0 H THR A 71 2.606 1.043 -10.707 1.00 0.00 H new ATOM 0 HA THR A 71 1.107 3.008 -12.381 1.00 0.00 H new ATOM 0 HB THR A 71 0.068 0.725 -10.720 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.012 -0.070 -12.659 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.081 1.292 -11.798 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.435 2.660 -10.859 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.297 2.654 -12.634 1.00 0.00 H new ATOM 974 N CYS A 72 0.950 4.419 -10.360 1.00 0.00 N ATOM 975 CA CYS A 72 0.727 5.268 -9.208 1.00 0.00 C ATOM 976 C CYS A 72 -0.757 5.172 -8.866 1.00 0.00 C ATOM 977 O CYS A 72 -1.624 5.331 -9.731 1.00 0.00 O ATOM 978 CB CYS A 72 1.125 6.708 -9.513 1.00 0.00 C ATOM 979 SG CYS A 72 0.696 7.800 -8.152 1.00 0.00 S ATOM 0 H CYS A 72 0.861 4.903 -11.253 1.00 0.00 H new ATOM 0 HA CYS A 72 1.337 4.945 -8.364 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.197 6.760 -9.701 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.625 7.042 -10.422 1.00 0.00 H new ATOM 984 N CYS A 73 -1.049 4.810 -7.625 1.00 0.00 N ATOM 985 CA CYS A 73 -2.321 4.270 -7.191 1.00 0.00 C ATOM 986 C CYS A 73 -2.822 5.223 -6.120 1.00 0.00 C ATOM 987 O CYS A 73 -2.261 5.256 -5.027 1.00 0.00 O ATOM 988 CB CYS A 73 -2.100 2.859 -6.612 1.00 0.00 C ATOM 989 SG CYS A 73 -0.978 1.769 -7.528 1.00 0.00 S ATOM 0 H CYS A 73 -0.375 4.890 -6.864 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.041 4.182 -8.004 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.718 2.964 -5.596 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.069 2.366 -6.539 1.00 0.00 H new ATOM 994 N ASN A 74 -3.819 6.052 -6.420 1.00 0.00 N ATOM 995 CA ASN A 74 -4.308 7.042 -5.468 1.00 0.00 C ATOM 996 C ASN A 74 -5.204 6.365 -4.439 1.00 0.00 C ATOM 997 O ASN A 74 -6.331 5.992 -4.757 1.00 0.00 O ATOM 998 CB ASN A 74 -5.089 8.149 -6.180 1.00 0.00 C ATOM 999 CG ASN A 74 -5.491 9.284 -5.238 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -6.403 10.042 -5.548 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -4.862 9.464 -4.080 1.00 0.00 N ATOM 0 H ASN A 74 -4.304 6.056 -7.317 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.449 7.492 -4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.483 8.552 -6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.984 7.723 -6.633 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.140 10.226 -3.462 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.101 8.840 -3.810 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.712 6.163 -3.222 1.00 0.00 N ATOM 1009 CA ILE A 75 -5.443 5.500 -2.158 1.00 0.00 C ATOM 1010 C ILE A 75 -6.469 6.480 -1.591 1.00 0.00 C ATOM 1011 O ILE A 75 -6.096 7.480 -0.992 1.00 0.00 O ATOM 1012 CB ILE A 75 -4.438 5.018 -1.091 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -3.859 3.641 -1.407 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -5.055 4.856 0.292 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -3.151 3.605 -2.746 1.00 0.00 C ATOM 0 H ILE A 75 -3.777 6.462 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.981 4.626 -2.524 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.678 5.799 -1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.159 3.355 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.661 2.903 -1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.293 4.515 0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.453 5.814 0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.861 4.123 0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.758 2.604 -2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.855 3.863 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.330 4.322 -2.743 1.00 0.00 H new ATOM 1027 N ASN A 76 -7.760 6.186 -1.724 1.00 0.00 N ATOM 1028 CA ASN A 76 -8.817 6.927 -1.049 1.00 0.00 C ATOM 1029 C ASN A 76 -9.836 5.901 -0.584 1.00 0.00 C ATOM 1030 O ASN A 76 -10.811 5.654 -1.283 1.00 0.00 O ATOM 1031 CB ASN A 76 -9.499 7.929 -1.995 1.00 0.00 C ATOM 1032 CG ASN A 76 -8.608 9.065 -2.473 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -8.449 9.253 -3.677 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -8.041 9.855 -1.573 1.00 0.00 N ATOM 0 H ASN A 76 -8.102 5.422 -2.307 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.400 7.498 -0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.873 7.389 -2.865 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.365 8.354 -1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -7.460 10.637 -1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.186 9.681 -0.578 1.00 0.00 H new ATOM 1041 N THR A 77 -9.633 5.254 0.562 1.00 0.00 N ATOM 1042 CA THR A 77 -10.637 4.306 1.034 1.00 0.00 C ATOM 1043 C THR A 77 -11.842 5.085 1.577 1.00 0.00 C ATOM 1044 O THR A 77 -11.877 6.316 1.506 1.00 0.00 O ATOM 1045 CB THR A 77 -10.042 3.312 2.041 1.00 0.00 C ATOM 1046 OG1 THR A 77 -9.948 3.861 3.338 1.00 0.00 O ATOM 1047 CG2 THR A 77 -8.693 2.752 1.583 1.00 0.00 C ATOM 0 H THR A 77 -8.814 5.362 1.161 1.00 0.00 H new ATOM 0 HA THR A 77 -10.987 3.691 0.205 1.00 0.00 H new ATOM 0 HB THR A 77 -10.740 2.476 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.793 4.826 3.274 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.316 2.054 2.331 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.818 2.233 0.633 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.983 3.570 1.459 1.00 0.00 H new ATOM 1055 N GLY A 78 -12.824 4.398 2.151 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.921 5.050 2.843 1.00 0.00 C ATOM 1057 C GLY A 78 -13.446 5.746 4.121 1.00 0.00 C ATOM 1058 O GLY A 78 -14.156 6.604 4.644 1.00 0.00 O ATOM 0 H GLY A 78 -12.879 3.379 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.386 5.781 2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.685 4.313 3.092 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.286 5.355 4.655 1.00 0.00 N ATOM 1063 CA PHE A 79 -11.765 5.804 5.934 1.00 0.00 C ATOM 1064 C PHE A 79 -10.317 6.244 5.776 1.00 0.00 C ATOM 1065 O PHE A 79 -9.770 6.186 4.671 1.00 0.00 O ATOM 1066 CB PHE A 79 -11.944 4.666 6.943 1.00 0.00 C ATOM 1067 CG PHE A 79 -11.505 3.290 6.471 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -10.148 2.920 6.527 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -12.463 2.362 6.024 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -9.758 1.623 6.156 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -12.079 1.048 5.706 1.00 0.00 C ATOM 1072 CZ PHE A 79 -10.724 0.687 5.755 1.00 0.00 C ATOM 0 H PHE A 79 -11.667 4.693 4.186 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.307 6.674 6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.386 4.915 7.846 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.996 4.615 7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.407 3.634 6.855 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -13.496 2.660 5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.714 1.346 6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.824 0.319 5.425 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.423 -0.314 5.483 1.00 0.00 H new ATOM 1082 N TYR A 80 -9.706 6.740 6.853 1.00 0.00 N ATOM 1083 CA TYR A 80 -8.341 7.218 6.801 1.00 0.00 C ATOM 1084 C TYR A 80 -7.390 6.032 6.957 1.00 0.00 C ATOM 1085 O TYR A 80 -7.620 5.165 7.800 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.086 8.293 7.862 1.00 0.00 C ATOM 1087 CG TYR A 80 -6.663 8.829 7.852 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.013 9.086 6.628 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -5.921 8.873 9.046 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -4.619 9.213 6.582 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -4.523 9.015 8.998 1.00 0.00 C ATOM 1092 CZ TYR A 80 -3.871 9.101 7.760 1.00 0.00 C ATOM 1093 OH TYR A 80 -2.559 8.762 7.671 1.00 0.00 O ATOM 0 H TYR A 80 -10.144 6.817 7.771 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.161 7.689 5.834 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.778 9.120 7.704 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.303 7.879 8.847 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.592 9.185 5.722 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.424 8.798 9.999 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.123 9.397 5.641 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.952 9.058 9.914 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.481 7.832 7.371 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.353 5.988 6.125 1.00 0.00 N ATOM 1104 CA ILE A 81 -5.462 4.857 5.950 1.00 0.00 C ATOM 1105 C ILE A 81 -4.135 5.105 6.665 1.00 0.00 C ATOM 1106 O ILE A 81 -3.654 6.240 6.727 1.00 0.00 O ATOM 1107 CB ILE A 81 -5.213 4.568 4.464 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.210 5.855 3.624 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -6.202 3.511 3.950 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.611 6.204 3.113 1.00 0.00 C ATOM 0 H ILE A 81 -6.104 6.778 5.530 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.944 3.984 6.390 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.213 4.148 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.826 6.680 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.534 5.735 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.012 3.318 2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.075 2.588 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.222 3.876 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.566 7.120 2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.984 5.391 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.281 6.350 3.960 1.00 0.00 H new ATOM 1122 N ARG A 82 -3.541 4.034 7.186 1.00 0.00 N ATOM 1123 CA ARG A 82 -2.213 4.041 7.765 1.00 0.00 C ATOM 1124 C ARG A 82 -1.435 2.821 7.298 1.00 0.00 C ATOM 1125 O ARG A 82 -0.652 2.897 6.357 1.00 0.00 O ATOM 1126 CB ARG A 82 -2.338 4.092 9.296 1.00 0.00 C ATOM 1127 CG ARG A 82 -2.846 5.469 9.736 1.00 0.00 C ATOM 1128 CD ARG A 82 -2.713 5.637 11.250 1.00 0.00 C ATOM 1129 NE ARG A 82 -3.361 6.869 11.719 1.00 0.00 N ATOM 1130 CZ ARG A 82 -4.677 7.053 11.889 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -5.534 6.085 11.580 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -5.108 8.227 12.342 1.00 0.00 N ATOM 0 H ARG A 82 -3.987 3.117 7.215 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.660 4.921 7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.023 3.316 9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.370 3.889 9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.281 6.250 9.228 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.889 5.588 9.442 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.158 4.778 11.752 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -1.658 5.654 11.523 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.752 7.658 11.935 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.190 5.198 11.212 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.535 6.229 11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.440 8.968 12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.106 8.386 12.478 1.00 0.00 H new ATOM 1146 N SER A 83 -1.603 1.707 7.999 1.00 0.00 N ATOM 1147 CA SER A 83 -0.629 0.633 7.960 1.00 0.00 C ATOM 1148 C SER A 83 -0.831 -0.251 6.739 1.00 0.00 C ATOM 1149 O SER A 83 -1.887 -0.173 6.117 1.00 0.00 O ATOM 1150 CB SER A 83 -0.745 -0.167 9.247 1.00 0.00 C ATOM 1151 OG SER A 83 -1.146 0.689 10.308 1.00 0.00 O ATOM 0 H SER A 83 -2.407 1.527 8.601 1.00 0.00 H new ATOM 0 HA SER A 83 0.374 1.051 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.470 -0.972 9.122 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.211 -0.633 9.484 1.00 0.00 H new ATOM 0 HG SER A 83 -1.825 0.239 10.852 1.00 0.00 H new ATOM 1157 N TYR A 84 0.110 -1.140 6.417 1.00 0.00 N ATOM 1158 CA TYR A 84 -0.074 -2.031 5.280 1.00 0.00 C ATOM 1159 C TYR A 84 0.771 -3.296 5.337 1.00 0.00 C ATOM 1160 O TYR A 84 1.725 -3.398 6.110 1.00 0.00 O ATOM 1161 CB TYR A 84 0.137 -1.291 3.950 1.00 0.00 C ATOM 1162 CG TYR A 84 1.573 -0.977 3.556 1.00 0.00 C ATOM 1163 CD1 TYR A 84 2.395 -0.199 4.396 1.00 0.00 C ATOM 1164 CD2 TYR A 84 1.993 -1.235 2.237 1.00 0.00 C ATOM 1165 CE1 TYR A 84 3.574 0.377 3.895 1.00 0.00 C ATOM 1166 CE2 TYR A 84 3.130 -0.588 1.721 1.00 0.00 C ATOM 1167 CZ TYR A 84 3.905 0.242 2.541 1.00 0.00 C ATOM 1168 OH TYR A 84 4.876 1.009 1.977 1.00 0.00 O ATOM 0 H TYR A 84 0.990 -1.259 6.919 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.110 -2.363 5.340 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.310 -1.888 3.155 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.416 -0.353 3.993 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.117 -0.045 5.428 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.442 -1.930 1.621 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.228 0.926 4.556 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.407 -0.732 0.687 1.00 0.00 H new ATOM 0 HH TYR A 84 5.539 1.250 2.657 1.00 0.00 H new ATOM 1178 N ARG A 85 0.393 -4.250 4.485 1.00 0.00 N ATOM 1179 CA ARG A 85 1.134 -5.472 4.204 1.00 0.00 C ATOM 1180 C ARG A 85 0.752 -5.923 2.791 1.00 0.00 C ATOM 1181 O ARG A 85 -0.432 -6.149 2.535 1.00 0.00 O ATOM 1182 CB ARG A 85 0.720 -6.513 5.257 1.00 0.00 C ATOM 1183 CG ARG A 85 1.298 -7.931 5.112 1.00 0.00 C ATOM 1184 CD ARG A 85 0.204 -8.952 4.766 1.00 0.00 C ATOM 1185 NE ARG A 85 0.572 -10.326 5.159 1.00 0.00 N ATOM 1186 CZ ARG A 85 0.802 -11.342 4.312 1.00 0.00 C ATOM 1187 NH1 ARG A 85 1.088 -11.111 3.038 1.00 0.00 N ATOM 1188 NH2 ARG A 85 0.757 -12.605 4.714 1.00 0.00 N ATOM 0 H ARG A 85 -0.474 -4.186 3.952 1.00 0.00 H new ATOM 0 HA ARG A 85 2.214 -5.333 4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.004 -6.132 6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.367 -6.589 5.247 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.061 -7.936 4.334 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.788 -8.222 6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.723 -8.670 5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.010 -8.923 3.694 1.00 0.00 H new ATOM 0 HE ARG A 85 0.659 -10.520 6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.135 -10.153 2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.261 -11.892 2.404 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.544 -12.823 5.687 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.936 -13.358 4.050 1.00 0.00 H new ATOM 1202 N ARG A 86 1.724 -6.095 1.884 1.00 0.00 N ATOM 1203 CA ARG A 86 1.464 -6.726 0.590 1.00 0.00 C ATOM 1204 C ARG A 86 0.948 -8.127 0.893 1.00 0.00 C ATOM 1205 O ARG A 86 1.540 -8.821 1.721 1.00 0.00 O ATOM 1206 CB ARG A 86 2.735 -6.807 -0.291 1.00 0.00 C ATOM 1207 CG ARG A 86 2.562 -7.580 -1.622 1.00 0.00 C ATOM 1208 CD ARG A 86 2.411 -6.724 -2.883 1.00 0.00 C ATOM 1209 NE ARG A 86 3.726 -6.314 -3.406 1.00 0.00 N ATOM 1210 CZ ARG A 86 4.030 -6.074 -4.694 1.00 0.00 C ATOM 1211 NH1 ARG A 86 3.085 -6.051 -5.632 1.00 0.00 N ATOM 1212 NH2 ARG A 86 5.298 -5.843 -5.006 1.00 0.00 N ATOM 0 H ARG A 86 2.692 -5.806 2.025 1.00 0.00 H new ATOM 0 HA ARG A 86 0.742 -6.134 0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.067 -5.794 -0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.529 -7.281 0.286 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.423 -8.235 -1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.685 -8.221 -1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.872 -7.286 -3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.814 -5.840 -2.657 1.00 0.00 H new ATOM 0 HE ARG A 86 4.478 -6.201 -2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.111 -6.217 -5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.335 -5.867 -6.604 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.012 -5.851 -4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.559 -5.658 -5.974 1.00 0.00 H new ATOM 1226 N VAL A 87 -0.171 -8.507 0.289 1.00 0.00 N ATOM 1227 CA VAL A 87 -0.961 -9.662 0.602 1.00 0.00 C ATOM 1228 C VAL A 87 -0.682 -10.786 -0.394 1.00 0.00 C ATOM 1229 O VAL A 87 -0.605 -11.955 0.000 1.00 0.00 O ATOM 1230 CB VAL A 87 -2.409 -9.171 0.643 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -3.404 -9.729 -0.366 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.878 -9.220 2.072 1.00 0.00 C ATOM 0 H VAL A 87 -0.566 -7.971 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.717 -10.108 1.566 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.383 -8.146 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.382 -9.278 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.065 -9.499 -1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.478 -10.810 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.910 -8.874 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.818 -10.244 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.246 -8.577 2.685 1.00 0.00 H new ATOM 1242 N GLU A 88 -0.472 -10.421 -1.657 1.00 0.00 N ATOM 1243 CA GLU A 88 -0.142 -11.300 -2.755 1.00 0.00 C ATOM 1244 C GLU A 88 0.747 -10.436 -3.659 1.00 0.00 C ATOM 1245 CB GLU A 88 -1.447 -11.693 -3.464 1.00 0.00 C ATOM 1246 CG GLU A 88 -1.620 -13.211 -3.513 1.00 0.00 C ATOM 1247 CD GLU A 88 -2.931 -13.549 -4.172 1.00 0.00 C ATOM 1248 OE1 GLU A 88 -3.975 -13.354 -3.521 1.00 0.00 O ATOM 1249 OE2 GLU A 88 -2.891 -13.965 -5.345 1.00 0.00 O ATOM 0 H GLU A 88 -0.533 -9.445 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 88 0.360 -12.222 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.294 -11.245 -2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.447 -11.292 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.796 -13.663 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.592 -13.623 -2.504 1.00 0.00 H new TER 1256 GLU A 88