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 35 HIS : no HD1:sc= -0.273 K(o=-0.24,f=-3.6!) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.0308 K(o=-0.24,f=-1.8) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.594 K(o=2.2,f=0.43) USER MOD Set 2.2: A 84 TYR OH : rot 12:sc= 1.58 USER MOD Single : A 1 GLY N :NH3+ -175:sc= 1.18 (180deg=1.12) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -149:sc= -0.473 (180deg=-3.23) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.67 K(o=-1.7,f=-12!) USER MOD Single : A 14 ASN : amide:sc= -0.039 K(o=-0.039,f=-1.4) USER MOD Single : A 15 THR OG1 : rot -47:sc= 0.748 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc=-0.000988 (180deg=-0.114) USER MOD Single : A 22 GLN : amide:sc= -0.71 K(o=-0.71,f=-1.8) USER MOD Single : A 25 ASN : amide:sc= 0.428 X(o=0.43,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 178:sc=-0.00961 (180deg=-0.0141) USER MOD Single : A 39 THR OG1 : rot 28:sc= 1.19 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0435 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= -0.554 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -119:sc= 1.22 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 170:sc= -0.0416 (180deg=-0.212) USER MOD Single : A 70 ASN : amide:sc= 1.39 K(o=1.4,f=-3.7!) USER MOD Single : A 71 THR OG1 : rot 71:sc= 0.859 USER MOD Single : A 76 ASN : amide:sc= 0.216 X(o=0.22,f=-0.046) USER MOD Single : A 77 THR OG1 : rot 83:sc= 0.616 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 83:sc= 1.89 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.442 -9.277 -12.602 1.00 0.00 N ATOM 2 CA GLY A 1 13.512 -8.579 -11.891 1.00 0.00 C ATOM 3 C GLY A 1 13.188 -8.329 -10.417 1.00 0.00 C ATOM 4 O GLY A 1 14.001 -7.722 -9.728 1.00 0.00 O ATOM 0 H1 GLY A 1 12.752 -9.493 -13.571 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.215 -10.162 -12.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.596 -8.673 -12.636 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.429 -9.164 -11.961 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.704 -7.625 -12.382 1.00 0.00 H new ATOM 7 N ASP A 2 12.037 -8.792 -9.907 1.00 0.00 N ATOM 8 CA ASP A 2 11.554 -8.534 -8.555 1.00 0.00 C ATOM 9 C ASP A 2 11.099 -7.081 -8.449 1.00 0.00 C ATOM 10 O ASP A 2 11.819 -6.167 -8.848 1.00 0.00 O ATOM 11 CB ASP A 2 12.534 -8.988 -7.451 1.00 0.00 C ATOM 12 CG ASP A 2 13.017 -7.857 -6.563 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.180 -7.286 -5.837 1.00 0.00 O ATOM 14 OD2 ASP A 2 14.231 -7.569 -6.573 1.00 0.00 O ATOM 0 H ASP A 2 11.400 -9.376 -10.449 1.00 0.00 H new ATOM 0 HA ASP A 2 10.683 -9.162 -8.369 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.047 -9.742 -6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.396 -9.466 -7.916 1.00 0.00 H new ATOM 19 N GLY A 3 9.848 -6.884 -8.047 1.00 0.00 N ATOM 20 CA GLY A 3 9.196 -5.587 -8.071 1.00 0.00 C ATOM 21 C GLY A 3 8.998 -5.019 -6.680 1.00 0.00 C ATOM 22 O GLY A 3 8.751 -5.758 -5.723 1.00 0.00 O ATOM 0 H GLY A 3 9.254 -7.633 -7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.793 -4.893 -8.663 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.229 -5.678 -8.565 1.00 0.00 H new ATOM 26 N TYR A 4 9.061 -3.696 -6.592 1.00 0.00 N ATOM 27 CA TYR A 4 8.756 -2.959 -5.389 1.00 0.00 C ATOM 28 C TYR A 4 7.267 -2.720 -5.280 1.00 0.00 C ATOM 29 O TYR A 4 6.542 -2.633 -6.273 1.00 0.00 O ATOM 30 CB TYR A 4 9.489 -1.615 -5.346 1.00 0.00 C ATOM 31 CG TYR A 4 9.465 -0.800 -6.629 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.397 0.074 -6.911 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.536 -0.899 -7.535 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.378 0.805 -8.113 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.513 -0.170 -8.734 1.00 0.00 C ATOM 36 CZ TYR A 4 9.428 0.661 -9.037 1.00 0.00 C ATOM 37 OH TYR A 4 9.354 1.230 -10.272 1.00 0.00 O ATOM 0 H TYR A 4 9.332 -3.101 -7.375 1.00 0.00 H new ATOM 0 HA TYR A 4 9.095 -3.562 -4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.055 -1.012 -4.548 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.529 -1.800 -5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.590 0.183 -6.202 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.377 -1.537 -7.308 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.558 1.475 -8.326 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.337 -0.251 -9.427 1.00 0.00 H new ATOM 0 HH TYR A 4 10.170 1.027 -10.775 1.00 0.00 H new ATOM 47 N LEU A 5 6.854 -2.525 -4.039 1.00 0.00 N ATOM 48 CA LEU A 5 5.614 -1.879 -3.670 1.00 0.00 C ATOM 49 C LEU A 5 5.974 -1.049 -2.450 1.00 0.00 C ATOM 50 O LEU A 5 6.355 -1.585 -1.410 1.00 0.00 O ATOM 51 CB LEU A 5 4.512 -2.911 -3.440 1.00 0.00 C ATOM 52 CG LEU A 5 3.148 -2.284 -3.099 1.00 0.00 C ATOM 53 CD1 LEU A 5 2.037 -3.202 -3.631 1.00 0.00 C ATOM 54 CD2 LEU A 5 2.993 -2.010 -1.595 1.00 0.00 C ATOM 0 H LEU A 5 7.399 -2.826 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 5 5.199 -1.238 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.408 -3.525 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.811 -3.576 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 5 3.075 -1.310 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.064 -2.770 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.137 -3.306 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.120 -4.183 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.015 -1.568 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.082 -2.946 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.772 -1.321 -1.268 1.00 0.00 H new ATOM 66 N ILE A 6 5.963 0.260 -2.640 1.00 0.00 N ATOM 67 CA ILE A 6 6.470 1.251 -1.718 1.00 0.00 C ATOM 68 C ILE A 6 5.441 2.360 -1.754 1.00 0.00 C ATOM 69 O ILE A 6 5.235 2.965 -2.805 1.00 0.00 O ATOM 70 CB ILE A 6 7.878 1.719 -2.140 1.00 0.00 C ATOM 71 CG1 ILE A 6 8.075 1.979 -3.654 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.900 0.674 -1.688 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.226 3.463 -3.976 1.00 0.00 C ATOM 0 H ILE A 6 5.579 0.677 -3.488 1.00 0.00 H new ATOM 0 HA ILE A 6 6.598 0.871 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 6 8.017 2.686 -1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.959 1.444 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.224 1.576 -4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.900 0.993 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.856 0.567 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.673 -0.283 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.361 3.590 -5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.331 3.997 -3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.094 3.863 -3.451 1.00 0.00 H new ATOM 85 N MET A 7 4.700 2.554 -0.666 1.00 0.00 N ATOM 86 CA MET A 7 3.743 3.635 -0.663 1.00 0.00 C ATOM 87 C MET A 7 4.506 4.958 -0.566 1.00 0.00 C ATOM 88 O MET A 7 5.618 5.005 -0.034 1.00 0.00 O ATOM 89 CB MET A 7 2.620 3.367 0.346 1.00 0.00 C ATOM 90 CG MET A 7 2.774 4.000 1.726 1.00 0.00 C ATOM 91 SD MET A 7 1.306 3.795 2.771 1.00 0.00 S ATOM 92 CE MET A 7 -0.007 4.424 1.693 1.00 0.00 C ATOM 0 H MET A 7 4.745 1.998 0.188 1.00 0.00 H new ATOM 0 HA MET A 7 3.186 3.712 -1.597 1.00 0.00 H new ATOM 0 HB2 MET A 7 1.683 3.717 -0.087 1.00 0.00 H new ATOM 0 HB3 MET A 7 2.528 2.289 0.475 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.635 3.558 2.228 1.00 0.00 H new ATOM 0 HG3 MET A 7 2.984 5.063 1.610 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.794 4.871 2.301 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.404 5.177 1.020 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.422 3.603 1.108 1.00 0.00 H new ATOM 102 N CYS A 8 3.951 6.007 -1.167 1.00 0.00 N ATOM 103 CA CYS A 8 4.586 7.298 -1.332 1.00 0.00 C ATOM 104 C CYS A 8 3.620 8.343 -0.853 1.00 0.00 C ATOM 105 O CYS A 8 2.406 8.121 -0.821 1.00 0.00 O ATOM 106 CB CYS A 8 4.897 7.591 -2.796 1.00 0.00 C ATOM 107 SG CYS A 8 6.047 6.484 -3.629 1.00 0.00 S ATOM 0 H CYS A 8 3.012 5.973 -1.565 1.00 0.00 H new ATOM 0 HA CYS A 8 5.521 7.302 -0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.958 7.582 -3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.295 8.604 -2.861 1.00 0.00 H new ATOM 112 N LYS A 9 4.143 9.506 -0.478 1.00 0.00 N ATOM 113 CA LYS A 9 3.241 10.510 0.030 1.00 0.00 C ATOM 114 C LYS A 9 2.383 11.131 -1.071 1.00 0.00 C ATOM 115 O LYS A 9 1.266 11.581 -0.824 1.00 0.00 O ATOM 116 CB LYS A 9 3.956 11.523 0.905 1.00 0.00 C ATOM 117 CG LYS A 9 4.368 12.771 0.145 1.00 0.00 C ATOM 118 CD LYS A 9 5.375 13.553 0.988 1.00 0.00 C ATOM 119 CE LYS A 9 5.904 14.771 0.229 1.00 0.00 C ATOM 120 NZ LYS A 9 7.157 15.286 0.813 1.00 0.00 N ATOM 0 H LYS A 9 5.130 9.760 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 9 2.531 10.009 0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.305 11.805 1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.841 11.059 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.809 12.500 -0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.495 13.388 -0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.903 13.876 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.206 12.903 1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.074 14.503 -0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.150 15.558 0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.481 16.111 0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.990 15.567 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.885 14.544 0.782 1.00 0.00 H new ATOM 134 N ASN A 10 2.950 11.190 -2.272 1.00 0.00 N ATOM 135 CA ASN A 10 2.346 11.716 -3.497 1.00 0.00 C ATOM 136 C ASN A 10 2.418 10.656 -4.599 1.00 0.00 C ATOM 137 O ASN A 10 2.718 9.501 -4.320 1.00 0.00 O ATOM 138 CB ASN A 10 2.994 13.051 -3.912 1.00 0.00 C ATOM 139 CG ASN A 10 4.375 12.914 -4.530 1.00 0.00 C ATOM 140 OD1 ASN A 10 4.884 11.810 -4.641 1.00 0.00 O ATOM 141 ND2 ASN A 10 5.016 14.006 -4.930 1.00 0.00 N ATOM 0 H ASN A 10 3.900 10.852 -2.428 1.00 0.00 H new ATOM 0 HA ASN A 10 1.294 11.938 -3.315 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.339 13.553 -4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.064 13.695 -3.035 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.948 13.930 -5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.576 14.921 -4.830 1.00 0.00 H new ATOM 148 N CYS A 11 2.170 11.044 -5.848 1.00 0.00 N ATOM 149 CA CYS A 11 2.155 10.144 -7.004 1.00 0.00 C ATOM 150 C CYS A 11 3.457 10.212 -7.795 1.00 0.00 C ATOM 151 O CYS A 11 3.500 9.985 -9.009 1.00 0.00 O ATOM 152 CB CYS A 11 0.986 10.550 -7.884 1.00 0.00 C ATOM 153 SG CYS A 11 0.571 9.434 -9.244 1.00 0.00 S ATOM 0 H CYS A 11 1.969 12.014 -6.092 1.00 0.00 H new ATOM 0 HA CYS A 11 2.050 9.115 -6.660 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.105 10.659 -7.251 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.200 11.533 -8.303 1.00 0.00 H new ATOM 158 N ASP A 12 4.532 10.591 -7.116 1.00 0.00 N ATOM 159 CA ASP A 12 5.873 10.671 -7.672 1.00 0.00 C ATOM 160 C ASP A 12 6.849 9.746 -6.939 1.00 0.00 C ATOM 161 O ASP A 12 7.328 10.106 -5.865 1.00 0.00 O ATOM 162 CB ASP A 12 6.377 12.110 -7.606 1.00 0.00 C ATOM 163 CG ASP A 12 7.786 12.185 -8.150 1.00 0.00 C ATOM 164 OD1 ASP A 12 8.093 11.406 -9.078 1.00 0.00 O ATOM 165 OD2 ASP A 12 8.544 13.040 -7.657 1.00 0.00 O ATOM 0 H ASP A 12 4.491 10.859 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 12 5.821 10.345 -8.711 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.720 12.762 -8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.356 12.466 -6.576 1.00 0.00 H new ATOM 170 N PRO A 13 7.196 8.575 -7.491 1.00 0.00 N ATOM 171 CA PRO A 13 8.224 7.747 -6.893 1.00 0.00 C ATOM 172 C PRO A 13 9.575 8.465 -6.766 1.00 0.00 C ATOM 173 O PRO A 13 10.377 8.079 -5.918 1.00 0.00 O ATOM 174 CB PRO A 13 8.303 6.462 -7.719 1.00 0.00 C ATOM 175 CG PRO A 13 7.423 6.691 -8.950 1.00 0.00 C ATOM 176 CD PRO A 13 6.600 7.946 -8.656 1.00 0.00 C ATOM 0 HA PRO A 13 7.961 7.511 -5.862 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.332 6.249 -8.010 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.951 5.606 -7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.031 6.825 -9.844 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.775 5.833 -9.131 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.611 8.624 -9.509 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.558 7.689 -8.466 1.00 0.00 H new ATOM 184 N ASN A 14 9.849 9.487 -7.586 1.00 0.00 N ATOM 185 CA ASN A 14 11.128 10.190 -7.562 1.00 0.00 C ATOM 186 C ASN A 14 11.310 10.953 -6.252 1.00 0.00 C ATOM 187 O ASN A 14 12.094 10.549 -5.390 1.00 0.00 O ATOM 188 CB ASN A 14 11.257 11.102 -8.791 1.00 0.00 C ATOM 189 CG ASN A 14 12.620 11.765 -8.929 1.00 0.00 C ATOM 190 OD1 ASN A 14 13.551 11.537 -8.159 1.00 0.00 O ATOM 191 ND2 ASN A 14 12.779 12.583 -9.959 1.00 0.00 N ATOM 0 H ASN A 14 9.192 9.845 -8.279 1.00 0.00 H new ATOM 0 HA ASN A 14 11.934 9.458 -7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.057 10.516 -9.688 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.491 11.876 -8.738 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.681 13.031 -10.120 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.999 12.765 -10.591 1.00 0.00 H new ATOM 198 N THR A 15 10.593 12.060 -6.091 1.00 0.00 N ATOM 199 CA THR A 15 10.676 12.925 -4.923 1.00 0.00 C ATOM 200 C THR A 15 9.303 13.060 -4.260 1.00 0.00 C ATOM 201 O THR A 15 8.945 14.112 -3.723 1.00 0.00 O ATOM 202 CB THR A 15 11.341 14.266 -5.286 1.00 0.00 C ATOM 203 OG1 THR A 15 11.430 15.112 -4.156 1.00 0.00 O ATOM 204 CG2 THR A 15 10.623 15.010 -6.415 1.00 0.00 C ATOM 0 H THR A 15 9.922 12.387 -6.787 1.00 0.00 H new ATOM 0 HA THR A 15 11.324 12.472 -4.172 1.00 0.00 H new ATOM 0 HB THR A 15 12.340 14.012 -5.640 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.570 15.122 -3.687 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.142 15.946 -6.622 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.618 14.392 -7.313 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.597 15.223 -6.116 1.00 0.00 H new ATOM 212 N GLY A 16 8.529 11.982 -4.232 1.00 0.00 N ATOM 213 CA GLY A 16 7.419 11.874 -3.309 1.00 0.00 C ATOM 214 C GLY A 16 7.913 11.713 -1.884 1.00 0.00 C ATOM 215 O GLY A 16 7.310 12.240 -0.955 1.00 0.00 O ATOM 0 H GLY A 16 8.654 11.173 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.792 12.763 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.797 11.021 -3.581 1.00 0.00 H new ATOM 219 N SER A 17 9.003 10.968 -1.722 1.00 0.00 N ATOM 220 CA SER A 17 9.365 10.347 -0.466 1.00 0.00 C ATOM 221 C SER A 17 8.387 9.205 -0.245 1.00 0.00 C ATOM 222 O SER A 17 7.164 9.368 -0.195 1.00 0.00 O ATOM 223 CB SER A 17 9.434 11.312 0.713 1.00 0.00 C ATOM 224 OG SER A 17 10.515 10.979 1.565 1.00 0.00 O ATOM 0 H SER A 17 9.665 10.780 -2.475 1.00 0.00 H new ATOM 0 HA SER A 17 10.387 9.973 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.552 12.333 0.349 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.499 11.279 1.272 1.00 0.00 H new ATOM 0 HG SER A 17 10.546 11.609 2.315 1.00 0.00 H new ATOM 230 N CYS A 18 8.975 8.025 -0.276 1.00 0.00 N ATOM 231 CA CYS A 18 8.325 6.756 -0.365 1.00 0.00 C ATOM 232 C CYS A 18 9.009 5.850 0.625 1.00 0.00 C ATOM 233 O CYS A 18 10.240 5.878 0.716 1.00 0.00 O ATOM 234 CB CYS A 18 8.565 6.225 -1.765 1.00 0.00 C ATOM 235 SG CYS A 18 7.962 7.184 -3.171 1.00 0.00 S ATOM 0 H CYS A 18 9.990 7.935 -0.236 1.00 0.00 H new ATOM 0 HA CYS A 18 7.256 6.819 -0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.640 6.096 -1.890 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.116 5.234 -1.824 1.00 0.00 H new ATOM 240 N ASP A 19 8.259 5.053 1.376 1.00 0.00 N ATOM 241 CA ASP A 19 8.897 4.126 2.282 1.00 0.00 C ATOM 242 C ASP A 19 9.358 2.890 1.522 1.00 0.00 C ATOM 243 O ASP A 19 8.693 1.859 1.466 1.00 0.00 O ATOM 244 CB ASP A 19 8.056 3.826 3.516 1.00 0.00 C ATOM 245 CG ASP A 19 6.604 3.513 3.247 1.00 0.00 C ATOM 246 OD1 ASP A 19 5.854 4.505 3.134 1.00 0.00 O ATOM 247 OD2 ASP A 19 6.226 2.330 3.331 1.00 0.00 O ATOM 0 H ASP A 19 7.239 5.033 1.373 1.00 0.00 H new ATOM 0 HA ASP A 19 9.789 4.600 2.690 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.501 2.982 4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.107 4.683 4.188 1.00 0.00 H new ATOM 252 N TRP A 20 10.619 2.969 1.108 1.00 0.00 N ATOM 253 CA TRP A 20 11.441 1.871 0.628 1.00 0.00 C ATOM 254 C TRP A 20 12.041 1.153 1.841 1.00 0.00 C ATOM 255 O TRP A 20 13.212 0.771 1.844 1.00 0.00 O ATOM 256 CB TRP A 20 12.548 2.435 -0.277 1.00 0.00 C ATOM 257 CG TRP A 20 12.142 3.148 -1.534 1.00 0.00 C ATOM 258 CD1 TRP A 20 11.971 4.483 -1.674 1.00 0.00 C ATOM 259 CD2 TRP A 20 11.990 2.592 -2.874 1.00 0.00 C ATOM 260 NE1 TRP A 20 11.696 4.782 -2.993 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.695 3.652 -3.781 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.104 1.297 -3.419 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.490 3.436 -5.152 1.00 0.00 C ATOM 264 CZ3 TRP A 20 11.887 1.065 -4.790 1.00 0.00 C ATOM 265 CH2 TRP A 20 11.577 2.128 -5.654 1.00 0.00 C ATOM 0 H TRP A 20 11.122 3.857 1.100 1.00 0.00 H new ATOM 0 HA TRP A 20 10.849 1.162 0.050 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.146 3.125 0.319 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.201 1.609 -0.559 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.039 5.206 -0.874 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.516 5.724 -3.341 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.362 0.470 -2.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.269 4.263 -5.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.959 0.061 -5.181 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.406 1.939 -6.703 1.00 0.00 H new ATOM 276 N LYS A 21 11.224 0.962 2.872 1.00 0.00 N ATOM 277 CA LYS A 21 11.453 0.082 3.995 1.00 0.00 C ATOM 278 C LYS A 21 10.701 -1.202 3.630 1.00 0.00 C ATOM 279 O LYS A 21 9.914 -1.187 2.681 1.00 0.00 O ATOM 280 CB LYS A 21 10.820 0.759 5.221 1.00 0.00 C ATOM 281 CG LYS A 21 11.876 1.393 6.121 1.00 0.00 C ATOM 282 CD LYS A 21 12.625 0.318 6.910 1.00 0.00 C ATOM 283 CE LYS A 21 12.310 0.369 8.414 1.00 0.00 C ATOM 284 NZ LYS A 21 10.865 0.281 8.718 1.00 0.00 N ATOM 0 H LYS A 21 10.332 1.451 2.943 1.00 0.00 H new ATOM 0 HA LYS A 21 12.501 -0.127 4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.115 1.523 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.251 0.024 5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.580 1.966 5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.403 2.093 6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.362 -0.665 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.698 0.443 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.829 -0.449 8.914 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.704 1.297 8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.735 0.066 9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.408 1.188 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.435 -0.473 8.146 1.00 0.00 H new ATOM 298 N GLN A 22 10.896 -2.309 4.349 1.00 0.00 N ATOM 299 CA GLN A 22 10.116 -3.490 4.025 1.00 0.00 C ATOM 300 C GLN A 22 8.643 -3.196 4.276 1.00 0.00 C ATOM 301 O GLN A 22 8.295 -2.524 5.246 1.00 0.00 O ATOM 302 CB GLN A 22 10.544 -4.691 4.876 1.00 0.00 C ATOM 303 CG GLN A 22 9.907 -6.021 4.447 1.00 0.00 C ATOM 304 CD GLN A 22 10.299 -6.411 3.027 1.00 0.00 C ATOM 305 OE1 GLN A 22 11.253 -5.871 2.475 1.00 0.00 O ATOM 306 NE2 GLN A 22 9.587 -7.323 2.386 1.00 0.00 N ATOM 0 H GLN A 22 11.555 -2.407 5.121 1.00 0.00 H new ATOM 0 HA GLN A 22 10.284 -3.738 2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.629 -4.788 4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.286 -4.496 5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.213 -6.808 5.136 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.822 -5.942 4.515 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.795 -7.769 2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.830 -7.580 1.429 1.00 0.00 H new ATOM 315 N ASN A 23 7.804 -3.756 3.419 1.00 0.00 N ATOM 316 CA ASN A 23 6.353 -3.612 3.396 1.00 0.00 C ATOM 317 C ASN A 23 5.745 -4.990 3.322 1.00 0.00 C ATOM 318 O ASN A 23 4.796 -5.338 4.026 1.00 0.00 O ATOM 319 CB ASN A 23 5.906 -2.768 2.191 1.00 0.00 C ATOM 320 CG ASN A 23 6.371 -1.331 2.350 1.00 0.00 C ATOM 321 OD1 ASN A 23 6.234 -0.784 3.435 1.00 0.00 O ATOM 322 ND2 ASN A 23 6.951 -0.723 1.323 1.00 0.00 N ATOM 0 H ASN A 23 8.138 -4.364 2.671 1.00 0.00 H new ATOM 0 HA ASN A 23 6.020 -3.100 4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.314 -3.189 1.272 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.820 -2.798 2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.299 0.230 1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.049 -1.209 0.432 1.00 0.00 H new ATOM 329 N TRP A 24 6.312 -5.817 2.462 1.00 0.00 N ATOM 330 CA TRP A 24 5.857 -7.143 2.183 1.00 0.00 C ATOM 331 C TRP A 24 6.481 -8.085 3.204 1.00 0.00 C ATOM 332 O TRP A 24 7.233 -8.991 2.854 1.00 0.00 O ATOM 333 CB TRP A 24 6.348 -7.295 0.754 1.00 0.00 C ATOM 334 CG TRP A 24 6.367 -8.593 0.066 1.00 0.00 C ATOM 335 CD1 TRP A 24 7.423 -8.929 -0.679 1.00 0.00 C ATOM 336 CD2 TRP A 24 5.395 -9.661 -0.061 1.00 0.00 C ATOM 337 NE1 TRP A 24 7.176 -10.130 -1.309 1.00 0.00 N ATOM 338 CE2 TRP A 24 5.926 -10.620 -0.975 1.00 0.00 C ATOM 339 CE3 TRP A 24 4.124 -9.922 0.495 1.00 0.00 C ATOM 340 CZ2 TRP A 24 5.203 -11.758 -1.352 1.00 0.00 C ATOM 341 CZ3 TRP A 24 3.416 -11.086 0.152 1.00 0.00 C ATOM 342 CH2 TRP A 24 3.938 -11.984 -0.792 1.00 0.00 C ATOM 0 H TRP A 24 7.138 -5.559 1.922 1.00 0.00 H new ATOM 0 HA TRP A 24 4.791 -7.355 2.259 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.744 -6.625 0.142 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.369 -6.914 0.731 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.330 -8.350 -0.773 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.829 -10.596 -1.939 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.691 -9.219 1.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.616 -12.455 -2.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.464 -11.291 0.618 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.364 -12.850 -1.087 1.00 0.00 H new ATOM 353 N ASN A 25 6.210 -7.832 4.486 1.00 0.00 N ATOM 354 CA ASN A 25 6.623 -8.730 5.561 1.00 0.00 C ATOM 355 C ASN A 25 6.181 -8.290 6.952 1.00 0.00 C ATOM 356 O ASN A 25 6.561 -8.937 7.926 1.00 0.00 O ATOM 357 CB ASN A 25 8.153 -8.926 5.596 1.00 0.00 C ATOM 358 CG ASN A 25 8.479 -10.409 5.625 1.00 0.00 C ATOM 359 OD1 ASN A 25 8.650 -10.999 6.685 1.00 0.00 O ATOM 360 ND2 ASN A 25 8.521 -11.031 4.459 1.00 0.00 N ATOM 0 H ASN A 25 5.703 -7.006 4.804 1.00 0.00 H new ATOM 0 HA ASN A 25 6.118 -9.666 5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.609 -8.461 4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.572 -8.435 6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.700 -12.034 4.422 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.374 -10.507 3.596 1.00 0.00 H new ATOM 367 N THR A 26 5.477 -7.167 7.111 1.00 0.00 N ATOM 368 CA THR A 26 5.462 -6.516 8.410 1.00 0.00 C ATOM 369 C THR A 26 4.366 -5.454 8.460 1.00 0.00 C ATOM 370 O THR A 26 4.098 -4.794 7.462 1.00 0.00 O ATOM 371 CB THR A 26 6.868 -5.952 8.706 1.00 0.00 C ATOM 372 OG1 THR A 26 6.808 -5.077 9.815 1.00 0.00 O ATOM 373 CG2 THR A 26 7.534 -5.290 7.484 1.00 0.00 C ATOM 0 H THR A 26 4.931 -6.708 6.382 1.00 0.00 H new ATOM 0 HA THR A 26 5.224 -7.234 9.195 1.00 0.00 H new ATOM 0 HB THR A 26 7.512 -6.796 8.954 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.703 -4.722 10.001 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.519 -4.916 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.638 -6.024 6.685 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.916 -4.461 7.137 1.00 0.00 H new ATOM 381 N CYS A 27 3.711 -5.344 9.616 1.00 0.00 N ATOM 382 CA CYS A 27 2.600 -4.454 9.938 1.00 0.00 C ATOM 383 C CYS A 27 3.029 -2.981 9.910 1.00 0.00 C ATOM 384 O CYS A 27 3.159 -2.338 10.958 1.00 0.00 O ATOM 385 CB CYS A 27 2.132 -4.838 11.344 1.00 0.00 C ATOM 386 SG CYS A 27 0.694 -3.989 12.010 1.00 0.00 S ATOM 0 H CYS A 27 3.966 -5.924 10.416 1.00 0.00 H new ATOM 0 HA CYS A 27 1.804 -4.562 9.202 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.920 -5.907 11.346 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.964 -4.676 12.030 1.00 0.00 H new ATOM 391 N VAL A 28 3.207 -2.401 8.727 1.00 0.00 N ATOM 392 CA VAL A 28 3.865 -1.108 8.578 1.00 0.00 C ATOM 393 C VAL A 28 2.841 -0.011 8.819 1.00 0.00 C ATOM 394 O VAL A 28 1.651 -0.205 8.581 1.00 0.00 O ATOM 395 CB VAL A 28 4.442 -0.991 7.155 1.00 0.00 C ATOM 396 CG1 VAL A 28 4.756 0.446 6.722 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.741 -1.784 7.093 1.00 0.00 C ATOM 0 H VAL A 28 2.900 -2.814 7.846 1.00 0.00 H new ATOM 0 HA VAL A 28 4.678 -1.012 9.297 1.00 0.00 H new ATOM 0 HB VAL A 28 3.676 -1.373 6.481 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.158 0.441 5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.843 1.041 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.490 0.879 7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.164 -1.712 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.449 -1.379 7.816 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.541 -2.829 7.328 1.00 0.00 H new ATOM 407 N GLY A 29 3.300 1.116 9.359 1.00 0.00 N ATOM 408 CA GLY A 29 2.492 2.277 9.624 1.00 0.00 C ATOM 409 C GLY A 29 2.418 3.180 8.403 1.00 0.00 C ATOM 410 O GLY A 29 3.406 3.343 7.692 1.00 0.00 O ATOM 0 H GLY A 29 4.276 1.238 9.628 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.488 1.967 9.913 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.909 2.830 10.465 1.00 0.00 H new ATOM 414 N ILE A 30 1.265 3.805 8.210 1.00 0.00 N ATOM 415 CA ILE A 30 1.044 4.905 7.289 1.00 0.00 C ATOM 416 C ILE A 30 1.041 6.167 8.145 1.00 0.00 C ATOM 417 O ILE A 30 0.740 6.094 9.342 1.00 0.00 O ATOM 418 CB ILE A 30 -0.320 4.717 6.605 1.00 0.00 C ATOM 419 CG1 ILE A 30 -0.390 3.315 5.984 1.00 0.00 C ATOM 420 CG2 ILE A 30 -0.581 5.802 5.550 1.00 0.00 C ATOM 421 CD1 ILE A 30 -1.690 3.094 5.220 1.00 0.00 C ATOM 0 H ILE A 30 0.419 3.544 8.717 1.00 0.00 H new ATOM 0 HA ILE A 30 1.807 4.959 6.512 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.102 4.815 7.358 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.455 3.174 5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.299 2.565 6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.554 5.635 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.568 6.783 6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.195 5.760 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.697 2.089 4.797 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.535 3.208 5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.769 3.826 4.417 1.00 0.00 H new ATOM 433 N GLY A 31 1.327 7.328 7.571 1.00 0.00 N ATOM 434 CA GLY A 31 1.225 8.572 8.293 1.00 0.00 C ATOM 435 C GLY A 31 1.749 9.731 7.464 1.00 0.00 C ATOM 436 O GLY A 31 2.605 9.555 6.603 1.00 0.00 O ATOM 0 H GLY A 31 1.632 7.426 6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.185 8.755 8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.788 8.503 9.224 1.00 0.00 H new ATOM 440 N ALA A 32 1.245 10.919 7.773 1.00 0.00 N ATOM 441 CA ALA A 32 1.769 12.201 7.355 1.00 0.00 C ATOM 442 C ALA A 32 1.663 12.463 5.868 1.00 0.00 C ATOM 443 O ALA A 32 2.608 12.282 5.106 1.00 0.00 O ATOM 444 CB ALA A 32 3.160 12.454 7.941 1.00 0.00 C ATOM 0 H ALA A 32 0.413 11.012 8.355 1.00 0.00 H new ATOM 0 HA ALA A 32 1.111 12.957 7.784 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.524 13.426 7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.104 12.442 9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.844 11.675 7.604 1.00 0.00 H new ATOM 450 N ASN A 33 0.471 12.926 5.477 1.00 0.00 N ATOM 451 CA ASN A 33 0.153 13.418 4.143 1.00 0.00 C ATOM 452 C ASN A 33 0.184 12.300 3.107 1.00 0.00 C ATOM 453 O ASN A 33 -0.057 12.546 1.928 1.00 0.00 O ATOM 454 CB ASN A 33 1.069 14.590 3.759 1.00 0.00 C ATOM 455 CG ASN A 33 0.832 15.783 4.675 1.00 0.00 C ATOM 456 OD1 ASN A 33 -0.045 16.599 4.411 1.00 0.00 O ATOM 457 ND2 ASN A 33 1.572 15.890 5.772 1.00 0.00 N ATOM 0 H ASN A 33 -0.327 12.968 6.111 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.869 13.795 4.160 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.112 14.279 3.822 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.884 14.878 2.724 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.417 16.664 6.418 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.295 15.198 5.969 1.00 0.00 H new ATOM 464 N VAL A 34 0.408 11.063 3.546 1.00 0.00 N ATOM 465 CA VAL A 34 0.483 9.916 2.650 1.00 0.00 C ATOM 466 C VAL A 34 -0.913 9.521 2.180 1.00 0.00 C ATOM 467 O VAL A 34 -1.812 9.324 3.002 1.00 0.00 O ATOM 468 CB VAL A 34 1.217 8.764 3.365 1.00 0.00 C ATOM 469 CG1 VAL A 34 1.101 7.448 2.596 1.00 0.00 C ATOM 470 CG2 VAL A 34 2.710 9.058 3.560 1.00 0.00 C ATOM 0 H VAL A 34 0.542 10.830 4.530 1.00 0.00 H new ATOM 0 HA VAL A 34 1.052 10.170 1.756 1.00 0.00 H new ATOM 0 HB VAL A 34 0.730 8.674 4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.632 6.664 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.050 7.174 2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.538 7.566 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.183 8.217 4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.181 9.207 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.828 9.959 4.163 1.00 0.00 H new ATOM 480 N HIS A 35 -1.106 9.428 0.862 1.00 0.00 N ATOM 481 CA HIS A 35 -2.303 8.854 0.264 1.00 0.00 C ATOM 482 C HIS A 35 -2.031 8.125 -1.050 1.00 0.00 C ATOM 483 O HIS A 35 -2.913 8.108 -1.910 1.00 0.00 O ATOM 484 CB HIS A 35 -3.415 9.908 0.150 1.00 0.00 C ATOM 485 CG HIS A 35 -3.176 11.098 -0.751 1.00 0.00 C ATOM 486 ND1 HIS A 35 -4.116 11.642 -1.594 1.00 0.00 N ATOM 487 CD2 HIS A 35 -2.078 11.915 -0.794 1.00 0.00 C ATOM 488 CE1 HIS A 35 -3.593 12.743 -2.149 1.00 0.00 C ATOM 489 NE2 HIS A 35 -2.329 12.932 -1.728 1.00 0.00 N ATOM 0 H HIS A 35 -0.425 9.754 0.177 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.660 8.077 0.940 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.318 9.404 -0.195 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.622 10.284 1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.176 11.797 -0.211 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.114 13.390 -2.839 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.685 13.665 -2.027 1.00 0.00 H new ATOM 497 N TRP A 36 -0.842 7.541 -1.233 1.00 0.00 N ATOM 498 CA TRP A 36 -0.557 6.807 -2.472 1.00 0.00 C ATOM 499 C TRP A 36 0.196 5.504 -2.225 1.00 0.00 C ATOM 500 O TRP A 36 1.243 5.529 -1.595 1.00 0.00 O ATOM 501 CB TRP A 36 0.223 7.702 -3.432 1.00 0.00 C ATOM 502 CG TRP A 36 -0.512 8.941 -3.825 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.630 10.052 -3.074 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.383 9.144 -4.967 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.467 10.948 -3.696 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.976 10.435 -4.868 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.768 8.343 -6.052 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.876 10.926 -5.821 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.663 8.823 -7.026 1.00 0.00 C ATOM 510 CH2 TRP A 36 -3.198 10.120 -6.925 1.00 0.00 C ATOM 0 H TRP A 36 -0.078 7.560 -0.558 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.514 6.533 -2.917 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.168 7.982 -2.967 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.466 7.133 -4.330 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.141 10.215 -2.125 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.684 11.877 -3.334 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.371 7.342 -6.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.315 11.907 -5.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.941 8.191 -7.857 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.855 10.495 -7.695 1.00 0.00 H new ATOM 521 N MET A 37 -0.303 4.379 -2.741 1.00 0.00 N ATOM 522 CA MET A 37 0.483 3.165 -2.932 1.00 0.00 C ATOM 523 C MET A 37 1.079 3.237 -4.333 1.00 0.00 C ATOM 524 O MET A 37 0.378 3.608 -5.274 1.00 0.00 O ATOM 525 CB MET A 37 -0.392 1.920 -2.750 1.00 0.00 C ATOM 526 CG MET A 37 0.384 0.602 -2.791 1.00 0.00 C ATOM 527 SD MET A 37 -0.645 -0.854 -2.467 1.00 0.00 S ATOM 528 CE MET A 37 -1.549 -1.005 -4.019 1.00 0.00 C ATOM 0 H MET A 37 -1.274 4.287 -3.040 1.00 0.00 H new ATOM 0 HA MET A 37 1.279 3.091 -2.191 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.915 1.992 -1.796 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.153 1.906 -3.530 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.852 0.496 -3.770 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.188 0.640 -2.056 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.196 -1.881 -3.979 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.155 -0.113 -4.175 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.843 -1.113 -4.842 1.00 0.00 H new ATOM 538 N VAL A 38 2.360 2.905 -4.481 1.00 0.00 N ATOM 539 CA VAL A 38 3.043 2.938 -5.763 1.00 0.00 C ATOM 540 C VAL A 38 3.806 1.618 -5.893 1.00 0.00 C ATOM 541 O VAL A 38 4.340 1.112 -4.903 1.00 0.00 O ATOM 542 CB VAL A 38 3.932 4.195 -5.843 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.341 4.483 -7.289 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.206 5.447 -5.320 1.00 0.00 C ATOM 0 H VAL A 38 2.953 2.604 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 38 2.358 3.017 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 38 4.805 3.987 -5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.968 5.374 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.898 3.634 -7.685 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.449 4.646 -7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.868 6.309 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.311 5.624 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.924 5.295 -4.278 1.00 0.00 H new ATOM 554 N THR A 39 3.780 0.994 -7.070 1.00 0.00 N ATOM 555 CA THR A 39 4.372 -0.329 -7.262 1.00 0.00 C ATOM 556 C THR A 39 4.954 -0.452 -8.668 1.00 0.00 C ATOM 557 O THR A 39 4.493 0.240 -9.575 1.00 0.00 O ATOM 558 CB THR A 39 3.328 -1.410 -6.922 1.00 0.00 C ATOM 559 OG1 THR A 39 3.863 -2.715 -6.991 1.00 0.00 O ATOM 560 CG2 THR A 39 2.103 -1.353 -7.833 1.00 0.00 C ATOM 0 H THR A 39 3.353 1.386 -7.909 1.00 0.00 H new ATOM 0 HA THR A 39 5.211 -0.476 -6.581 1.00 0.00 H new ATOM 0 HB THR A 39 3.027 -1.191 -5.898 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.824 -2.685 -6.803 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.401 -2.137 -7.548 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.621 -0.380 -7.734 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.412 -1.501 -8.868 1.00 0.00 H new ATOM 568 N GLY A 40 5.963 -1.305 -8.865 1.00 0.00 N ATOM 569 CA GLY A 40 6.632 -1.455 -10.149 1.00 0.00 C ATOM 570 C GLY A 40 7.955 -2.193 -10.023 1.00 0.00 C ATOM 571 O GLY A 40 8.142 -2.992 -9.109 1.00 0.00 O ATOM 0 H GLY A 40 6.336 -1.910 -8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.980 -1.995 -10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.807 -0.471 -10.583 1.00 0.00 H new ATOM 575 N GLY A 41 8.861 -1.977 -10.971 1.00 0.00 N ATOM 576 CA GLY A 41 10.199 -2.538 -10.986 1.00 0.00 C ATOM 577 C GLY A 41 10.184 -3.884 -11.692 1.00 0.00 C ATOM 578 O GLY A 41 10.921 -4.086 -12.652 1.00 0.00 O ATOM 0 H GLY A 41 8.672 -1.383 -11.779 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.883 -1.858 -11.494 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.566 -2.656 -9.966 1.00 0.00 H new ATOM 582 N SER A 42 9.306 -4.778 -11.226 1.00 0.00 N ATOM 583 CA SER A 42 9.354 -6.219 -11.485 1.00 0.00 C ATOM 584 C SER A 42 9.773 -6.533 -12.914 1.00 0.00 C ATOM 585 O SER A 42 10.744 -7.250 -13.149 1.00 0.00 O ATOM 586 CB SER A 42 8.007 -6.894 -11.158 1.00 0.00 C ATOM 587 OG SER A 42 8.244 -8.080 -10.423 1.00 0.00 O ATOM 0 H SER A 42 8.517 -4.509 -10.639 1.00 0.00 H new ATOM 0 HA SER A 42 10.115 -6.629 -10.821 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.378 -6.215 -10.582 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.470 -7.124 -12.078 1.00 0.00 H new ATOM 0 HG SER A 42 7.389 -8.510 -10.212 1.00 0.00 H new ATOM 593 N THR A 43 8.980 -6.006 -13.836 1.00 0.00 N ATOM 594 CA THR A 43 9.163 -5.977 -15.267 1.00 0.00 C ATOM 595 C THR A 43 8.016 -5.058 -15.662 1.00 0.00 C ATOM 596 O THR A 43 8.152 -3.837 -15.601 1.00 0.00 O ATOM 597 CB THR A 43 9.171 -7.400 -15.882 1.00 0.00 C ATOM 598 OG1 THR A 43 8.629 -7.398 -17.188 1.00 0.00 O ATOM 599 CG2 THR A 43 8.414 -8.476 -15.086 1.00 0.00 C ATOM 0 H THR A 43 8.111 -5.545 -13.567 1.00 0.00 H new ATOM 0 HA THR A 43 10.122 -5.611 -15.634 1.00 0.00 H new ATOM 0 HB THR A 43 10.229 -7.664 -15.871 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.648 -8.308 -17.552 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.485 -9.431 -15.607 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.854 -8.571 -14.093 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.366 -8.190 -14.993 1.00 0.00 H new ATOM 607 N ASP A 44 6.844 -5.642 -15.876 1.00 0.00 N ATOM 608 CA ASP A 44 5.539 -5.024 -15.843 1.00 0.00 C ATOM 609 C ASP A 44 4.482 -6.115 -15.927 1.00 0.00 C ATOM 610 O ASP A 44 4.818 -7.280 -16.146 1.00 0.00 O ATOM 611 CB ASP A 44 5.353 -4.009 -16.969 1.00 0.00 C ATOM 612 CG ASP A 44 4.138 -3.147 -16.713 1.00 0.00 C ATOM 613 OD1 ASP A 44 3.827 -2.930 -15.527 1.00 0.00 O ATOM 614 OD2 ASP A 44 3.494 -2.719 -17.690 1.00 0.00 O ATOM 0 H ASP A 44 6.785 -6.637 -16.093 1.00 0.00 H new ATOM 0 HA ASP A 44 5.439 -4.473 -14.908 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.240 -3.381 -17.050 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.242 -4.529 -17.920 1.00 0.00 H new ATOM 619 N GLY A 45 3.235 -5.746 -15.667 1.00 0.00 N ATOM 620 CA GLY A 45 2.072 -6.613 -15.666 1.00 0.00 C ATOM 621 C GLY A 45 1.845 -7.174 -14.267 1.00 0.00 C ATOM 622 O GLY A 45 0.732 -7.533 -13.893 1.00 0.00 O ATOM 0 H GLY A 45 2.998 -4.780 -15.439 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.193 -6.057 -15.992 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.214 -7.428 -16.376 1.00 0.00 H new ATOM 626 N LYS A 46 2.907 -7.225 -13.464 1.00 0.00 N ATOM 627 CA LYS A 46 2.876 -7.884 -12.168 1.00 0.00 C ATOM 628 C LYS A 46 2.374 -6.937 -11.088 1.00 0.00 C ATOM 629 O LYS A 46 3.108 -6.469 -10.215 1.00 0.00 O ATOM 630 CB LYS A 46 4.237 -8.404 -11.781 1.00 0.00 C ATOM 631 CG LYS A 46 4.771 -9.474 -12.738 1.00 0.00 C ATOM 632 CD LYS A 46 5.962 -10.199 -12.089 1.00 0.00 C ATOM 633 CE LYS A 46 6.087 -11.634 -12.611 1.00 0.00 C ATOM 634 NZ LYS A 46 5.123 -12.551 -11.975 1.00 0.00 N ATOM 0 H LYS A 46 3.809 -6.810 -13.697 1.00 0.00 H new ATOM 0 HA LYS A 46 2.190 -8.727 -12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.940 -7.572 -11.748 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.187 -8.819 -10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.983 -10.189 -12.976 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.080 -9.015 -13.677 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.882 -9.652 -12.297 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.837 -10.212 -11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.932 -11.640 -13.690 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.100 -11.995 -12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.248 -13.508 -12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.286 -12.568 -10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.155 -12.224 -12.166 1.00 0.00 H new ATOM 648 N GLN A 47 1.099 -6.646 -11.214 1.00 0.00 N ATOM 649 CA GLN A 47 0.309 -5.845 -10.314 1.00 0.00 C ATOM 650 C GLN A 47 0.597 -6.220 -8.868 1.00 0.00 C ATOM 651 O GLN A 47 0.820 -7.393 -8.553 1.00 0.00 O ATOM 652 CB GLN A 47 -1.164 -6.032 -10.673 1.00 0.00 C ATOM 653 CG GLN A 47 -1.666 -7.475 -10.594 1.00 0.00 C ATOM 654 CD GLN A 47 -3.108 -7.519 -11.065 1.00 0.00 C ATOM 655 OE1 GLN A 47 -3.994 -7.016 -10.382 1.00 0.00 O ATOM 656 NE2 GLN A 47 -3.374 -8.053 -12.248 1.00 0.00 N ATOM 0 H GLN A 47 0.551 -6.988 -12.004 1.00 0.00 H new ATOM 0 HA GLN A 47 0.567 -4.791 -10.417 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.767 -5.416 -10.006 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.327 -5.661 -11.685 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.047 -8.124 -11.213 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.592 -7.845 -9.571 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.623 -8.467 -12.801 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.329 -8.050 -12.606 1.00 0.00 H new ATOM 665 N GLY A 48 0.590 -5.217 -8.002 1.00 0.00 N ATOM 666 CA GLY A 48 0.983 -5.353 -6.621 1.00 0.00 C ATOM 667 C GLY A 48 -0.191 -4.981 -5.743 1.00 0.00 C ATOM 668 O GLY A 48 -0.893 -4.008 -6.029 1.00 0.00 O ATOM 0 H GLY A 48 0.304 -4.270 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.298 -6.376 -6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.835 -4.708 -6.406 1.00 0.00 H new ATOM 672 N CYS A 49 -0.417 -5.761 -4.691 1.00 0.00 N ATOM 673 CA CYS A 49 -1.543 -5.544 -3.809 1.00 0.00 C ATOM 674 C CYS A 49 -1.035 -5.414 -2.399 1.00 0.00 C ATOM 675 O CYS A 49 0.010 -5.958 -2.034 1.00 0.00 O ATOM 676 CB CYS A 49 -2.551 -6.686 -3.891 1.00 0.00 C ATOM 677 SG CYS A 49 -3.371 -6.940 -5.481 1.00 0.00 S ATOM 0 H CYS A 49 0.173 -6.552 -4.433 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.054 -4.632 -4.117 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.039 -7.610 -3.622 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.319 -6.515 -3.137 1.00 0.00 H new ATOM 682 N ALA A 50 -1.812 -4.701 -1.600 1.00 0.00 N ATOM 683 CA ALA A 50 -1.587 -4.529 -0.183 1.00 0.00 C ATOM 684 C ALA A 50 -2.913 -4.707 0.522 1.00 0.00 C ATOM 685 O ALA A 50 -3.946 -4.296 0.006 1.00 0.00 O ATOM 686 CB ALA A 50 -1.015 -3.139 0.105 1.00 0.00 C ATOM 0 H ALA A 50 -2.642 -4.212 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.866 -5.264 0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.852 -3.028 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.068 -3.019 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.718 -2.379 -0.236 1.00 0.00 H new ATOM 692 N THR A 51 -2.896 -5.307 1.703 1.00 0.00 N ATOM 693 CA THR A 51 -4.003 -5.120 2.617 1.00 0.00 C ATOM 694 C THR A 51 -3.661 -3.878 3.427 1.00 0.00 C ATOM 695 O THR A 51 -2.533 -3.733 3.900 1.00 0.00 O ATOM 696 CB THR A 51 -4.262 -6.373 3.451 1.00 0.00 C ATOM 697 OG1 THR A 51 -4.584 -7.428 2.565 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.461 -6.183 4.388 1.00 0.00 C ATOM 0 H THR A 51 -2.147 -5.911 2.041 1.00 0.00 H new ATOM 0 HA THR A 51 -4.950 -4.966 2.100 1.00 0.00 H new ATOM 0 HB THR A 51 -3.373 -6.583 4.045 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.753 -8.246 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.618 -7.093 4.967 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.266 -5.351 5.065 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.353 -5.969 3.799 1.00 0.00 H new ATOM 706 N ILE A 52 -4.611 -2.961 3.524 1.00 0.00 N ATOM 707 CA ILE A 52 -4.480 -1.705 4.226 1.00 0.00 C ATOM 708 C ILE A 52 -5.503 -1.758 5.363 1.00 0.00 C ATOM 709 O ILE A 52 -6.556 -2.380 5.206 1.00 0.00 O ATOM 710 CB ILE A 52 -4.689 -0.548 3.231 1.00 0.00 C ATOM 711 CG1 ILE A 52 -3.816 -0.762 1.976 1.00 0.00 C ATOM 712 CG2 ILE A 52 -4.299 0.766 3.901 1.00 0.00 C ATOM 713 CD1 ILE A 52 -3.705 0.477 1.083 1.00 0.00 C ATOM 0 H ILE A 52 -5.529 -3.082 3.097 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.492 -1.536 4.655 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.737 -0.517 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.816 -1.065 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.231 -1.584 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.445 1.589 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.921 0.924 4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.251 0.725 4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.077 0.250 0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.698 0.769 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.262 1.296 1.650 1.00 0.00 H new ATOM 725 N TRP A 53 -5.173 -1.183 6.518 1.00 0.00 N ATOM 726 CA TRP A 53 -5.939 -1.280 7.748 1.00 0.00 C ATOM 727 C TRP A 53 -6.159 0.102 8.349 1.00 0.00 C ATOM 728 O TRP A 53 -5.261 0.951 8.341 1.00 0.00 O ATOM 729 CB TRP A 53 -5.161 -2.107 8.767 1.00 0.00 C ATOM 730 CG TRP A 53 -5.275 -3.596 8.679 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.145 -4.357 9.378 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.455 -4.529 7.921 1.00 0.00 C ATOM 733 NE1 TRP A 53 -5.923 -5.688 9.099 1.00 0.00 N ATOM 734 CE2 TRP A 53 -4.883 -5.858 8.214 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.382 -4.386 7.022 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.273 -6.985 7.646 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -2.768 -5.512 6.447 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.186 -6.810 6.781 1.00 0.00 C ATOM 0 H TRP A 53 -4.331 -0.616 6.621 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.898 -1.744 7.517 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.107 -1.845 8.679 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.483 -1.803 9.763 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.899 -3.980 10.053 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.464 -6.454 9.500 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.026 -3.398 6.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.637 -7.976 7.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.964 -5.377 5.739 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.672 -7.668 6.373 1.00 0.00 H new ATOM 749 N GLU A 54 -7.337 0.290 8.937 1.00 0.00 N ATOM 750 CA GLU A 54 -7.678 1.493 9.648 1.00 0.00 C ATOM 751 C GLU A 54 -6.740 1.694 10.824 1.00 0.00 C ATOM 752 O GLU A 54 -6.194 2.774 10.999 1.00 0.00 O ATOM 753 CB GLU A 54 -9.120 1.331 10.116 1.00 0.00 C ATOM 754 CG GLU A 54 -9.729 2.532 10.833 1.00 0.00 C ATOM 755 CD GLU A 54 -11.213 2.267 11.013 1.00 0.00 C ATOM 756 OE1 GLU A 54 -11.536 1.083 11.259 1.00 0.00 O ATOM 757 OE2 GLU A 54 -11.977 3.238 10.844 1.00 0.00 O ATOM 0 H GLU A 54 -8.083 -0.405 8.926 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.580 2.372 9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.739 1.098 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.170 0.471 10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.249 2.683 11.800 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.572 3.442 10.254 1.00 0.00 H new ATOM 764 N GLY A 55 -6.601 0.671 11.654 1.00 0.00 N ATOM 765 CA GLY A 55 -6.041 0.768 12.982 1.00 0.00 C ATOM 766 C GLY A 55 -4.534 0.961 12.986 1.00 0.00 C ATOM 767 O GLY A 55 -3.811 0.409 12.150 1.00 0.00 O ATOM 0 H GLY A 55 -6.886 -0.277 11.408 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.508 1.602 13.506 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.286 -0.136 13.539 1.00 0.00 H new ATOM 771 N SER A 56 -4.051 1.718 13.969 1.00 0.00 N ATOM 772 CA SER A 56 -2.661 1.719 14.353 1.00 0.00 C ATOM 773 C SER A 56 -2.290 0.271 14.663 1.00 0.00 C ATOM 774 O SER A 56 -2.868 -0.360 15.548 1.00 0.00 O ATOM 775 CB SER A 56 -2.471 2.612 15.581 1.00 0.00 C ATOM 776 OG SER A 56 -2.946 3.921 15.301 1.00 0.00 O ATOM 0 H SER A 56 -4.629 2.352 14.521 1.00 0.00 H new ATOM 0 HA SER A 56 -2.022 2.111 13.561 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.008 2.194 16.433 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.417 2.649 15.856 1.00 0.00 H new ATOM 0 HG SER A 56 -2.824 4.489 16.090 1.00 0.00 H new ATOM 782 N GLY A 57 -1.367 -0.271 13.888 1.00 0.00 N ATOM 783 CA GLY A 57 -0.900 -1.625 14.036 1.00 0.00 C ATOM 784 C GLY A 57 -1.898 -2.608 13.443 1.00 0.00 C ATOM 785 O GLY A 57 -2.271 -3.586 14.081 1.00 0.00 O ATOM 0 H GLY A 57 -0.916 0.234 13.125 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.065 -1.738 13.543 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.746 -1.848 15.092 1.00 0.00 H new ATOM 789 N CYS A 58 -2.294 -2.351 12.197 1.00 0.00 N ATOM 790 CA CYS A 58 -2.962 -3.292 11.304 1.00 0.00 C ATOM 791 C CYS A 58 -4.056 -4.107 11.992 1.00 0.00 C ATOM 792 O CYS A 58 -4.096 -5.334 11.891 1.00 0.00 O ATOM 793 CB CYS A 58 -1.972 -4.156 10.500 1.00 0.00 C ATOM 794 SG CYS A 58 -0.893 -5.236 11.459 1.00 0.00 S ATOM 0 H CYS A 58 -2.150 -1.439 11.764 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.485 -2.681 10.569 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.542 -4.772 9.804 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.348 -3.493 9.901 1.00 0.00 H new ATOM 799 N VAL A 59 -4.972 -3.389 12.640 1.00 0.00 N ATOM 800 CA VAL A 59 -6.249 -3.833 13.170 1.00 0.00 C ATOM 801 C VAL A 59 -7.310 -2.902 12.575 1.00 0.00 C ATOM 802 O VAL A 59 -6.960 -1.986 11.835 1.00 0.00 O ATOM 803 CB VAL A 59 -6.215 -3.781 14.705 1.00 0.00 C ATOM 804 CG1 VAL A 59 -5.367 -4.919 15.280 1.00 0.00 C ATOM 805 CG2 VAL A 59 -5.760 -2.435 15.285 1.00 0.00 C ATOM 0 H VAL A 59 -4.821 -2.396 12.820 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.477 -4.865 12.902 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.253 -3.906 15.013 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.362 -4.855 16.368 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.788 -5.877 14.974 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.346 -4.836 14.907 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.766 -2.487 16.374 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.751 -2.211 14.938 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.439 -1.649 14.956 1.00 0.00 H new ATOM 815 N GLY A 60 -8.592 -3.123 12.837 1.00 0.00 N ATOM 816 CA GLY A 60 -9.636 -2.184 12.443 1.00 0.00 C ATOM 817 C GLY A 60 -10.109 -2.465 11.020 1.00 0.00 C ATOM 818 O GLY A 60 -9.806 -3.530 10.470 1.00 0.00 O ATOM 0 H GLY A 60 -8.936 -3.950 13.324 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.477 -2.259 13.132 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.258 -1.164 12.511 1.00 0.00 H new ATOM 822 N ARG A 61 -10.884 -1.561 10.418 1.00 0.00 N ATOM 823 CA ARG A 61 -11.526 -1.854 9.148 1.00 0.00 C ATOM 824 C ARG A 61 -10.433 -1.918 8.114 1.00 0.00 C ATOM 825 O ARG A 61 -9.561 -1.058 8.072 1.00 0.00 O ATOM 826 CB ARG A 61 -12.632 -0.848 8.796 1.00 0.00 C ATOM 827 CG ARG A 61 -13.283 -1.215 7.449 1.00 0.00 C ATOM 828 CD ARG A 61 -14.506 -0.343 7.141 1.00 0.00 C ATOM 829 NE ARG A 61 -14.761 -0.283 5.687 1.00 0.00 N ATOM 830 CZ ARG A 61 -15.358 0.753 5.076 1.00 0.00 C ATOM 831 NH1 ARG A 61 -16.096 1.598 5.799 1.00 0.00 N ATOM 832 NH2 ARG A 61 -15.192 0.981 3.775 1.00 0.00 N ATOM 0 H ARG A 61 -11.077 -0.631 10.789 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.051 -2.808 9.197 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.387 -0.839 9.582 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.215 0.157 8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.549 -1.104 6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.581 -2.263 7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.381 -0.745 7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.346 0.664 7.528 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.467 -1.074 5.114 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.201 1.453 6.803 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.555 2.389 5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.601 0.362 3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.656 1.775 3.333 1.00 0.00 H new ATOM 846 N SER A 62 -10.413 -3.001 7.354 1.00 0.00 N ATOM 847 CA SER A 62 -9.337 -3.262 6.437 1.00 0.00 C ATOM 848 C SER A 62 -9.882 -3.374 5.021 1.00 0.00 C ATOM 849 O SER A 62 -11.094 -3.481 4.827 1.00 0.00 O ATOM 850 CB SER A 62 -8.515 -4.468 6.908 1.00 0.00 C ATOM 851 OG SER A 62 -8.928 -4.950 8.186 1.00 0.00 O ATOM 0 H SER A 62 -11.142 -3.715 7.361 1.00 0.00 H new ATOM 0 HA SER A 62 -8.635 -2.428 6.419 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.603 -5.271 6.176 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.462 -4.190 6.952 1.00 0.00 H new ATOM 0 HG SER A 62 -8.183 -4.878 8.819 1.00 0.00 H new ATOM 857 N THR A 63 -8.997 -3.308 4.036 1.00 0.00 N ATOM 858 CA THR A 63 -9.361 -3.477 2.644 1.00 0.00 C ATOM 859 C THR A 63 -8.165 -4.060 1.908 1.00 0.00 C ATOM 860 O THR A 63 -7.029 -3.799 2.303 1.00 0.00 O ATOM 861 CB THR A 63 -9.817 -2.126 2.060 1.00 0.00 C ATOM 862 OG1 THR A 63 -10.176 -2.243 0.697 1.00 0.00 O ATOM 863 CG2 THR A 63 -8.729 -1.049 2.163 1.00 0.00 C ATOM 0 H THR A 63 -8.003 -3.135 4.185 1.00 0.00 H new ATOM 0 HA THR A 63 -10.199 -4.166 2.534 1.00 0.00 H new ATOM 0 HB THR A 63 -10.681 -1.830 2.655 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.462 -1.369 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.099 -0.116 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.469 -0.893 3.210 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.844 -1.372 1.614 1.00 0.00 H new ATOM 871 N THR A 64 -8.402 -4.818 0.838 1.00 0.00 N ATOM 872 CA THR A 64 -7.358 -5.144 -0.117 1.00 0.00 C ATOM 873 C THR A 64 -7.306 -4.018 -1.152 1.00 0.00 C ATOM 874 O THR A 64 -8.248 -3.843 -1.930 1.00 0.00 O ATOM 875 CB THR A 64 -7.621 -6.515 -0.752 1.00 0.00 C ATOM 876 OG1 THR A 64 -7.963 -7.461 0.251 1.00 0.00 O ATOM 877 CG2 THR A 64 -6.377 -7.024 -1.486 1.00 0.00 C ATOM 0 H THR A 64 -9.314 -5.217 0.615 1.00 0.00 H new ATOM 0 HA THR A 64 -6.387 -5.219 0.373 1.00 0.00 H new ATOM 0 HB THR A 64 -8.442 -6.400 -1.460 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.131 -8.332 -0.165 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.588 -7.998 -1.928 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.105 -6.320 -2.272 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.551 -7.117 -0.781 1.00 0.00 H new ATOM 885 N MET A 65 -6.233 -3.236 -1.141 1.00 0.00 N ATOM 886 CA MET A 65 -5.880 -2.302 -2.191 1.00 0.00 C ATOM 887 C MET A 65 -5.062 -3.076 -3.231 1.00 0.00 C ATOM 888 O MET A 65 -4.283 -3.955 -2.861 1.00 0.00 O ATOM 889 CB MET A 65 -5.054 -1.182 -1.544 1.00 0.00 C ATOM 890 CG MET A 65 -4.953 0.081 -2.404 1.00 0.00 C ATOM 891 SD MET A 65 -6.515 0.902 -2.825 1.00 0.00 S ATOM 892 CE MET A 65 -7.199 1.211 -1.183 1.00 0.00 C ATOM 0 H MET A 65 -5.564 -3.239 -0.371 1.00 0.00 H new ATOM 0 HA MET A 65 -6.748 -1.862 -2.681 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.499 -0.923 -0.583 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.050 -1.554 -1.340 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.320 0.799 -1.882 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.443 -0.178 -3.332 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.067 1.864 -1.268 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.499 0.266 -0.730 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.444 1.690 -0.559 1.00 0.00 H new ATOM 902 N CYS A 66 -5.216 -2.768 -4.516 1.00 0.00 N ATOM 903 CA CYS A 66 -4.458 -3.419 -5.579 1.00 0.00 C ATOM 904 C CYS A 66 -4.229 -2.413 -6.684 1.00 0.00 C ATOM 905 O CYS A 66 -5.160 -1.692 -7.048 1.00 0.00 O ATOM 906 CB CYS A 66 -5.200 -4.597 -6.198 1.00 0.00 C ATOM 907 SG CYS A 66 -5.292 -6.142 -5.280 1.00 0.00 S ATOM 0 H CYS A 66 -5.870 -2.060 -4.849 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.532 -3.786 -5.136 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.221 -4.273 -6.403 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.734 -4.812 -7.160 1.00 0.00 H new ATOM 912 N CYS A 67 -3.011 -2.375 -7.210 1.00 0.00 N ATOM 913 CA CYS A 67 -2.572 -1.423 -8.222 1.00 0.00 C ATOM 914 C CYS A 67 -1.793 -2.184 -9.295 1.00 0.00 C ATOM 915 O CYS A 67 -1.013 -3.069 -8.932 1.00 0.00 O ATOM 916 CB CYS A 67 -1.651 -0.402 -7.549 1.00 0.00 C ATOM 917 SG CYS A 67 -1.236 1.026 -8.563 1.00 0.00 S ATOM 0 H CYS A 67 -2.277 -3.028 -6.934 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.423 -0.915 -8.676 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.127 -0.053 -6.633 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.728 -0.903 -7.258 1.00 0.00 H new ATOM 922 N PRO A 68 -1.979 -1.909 -10.597 1.00 0.00 N ATOM 923 CA PRO A 68 -1.172 -2.546 -11.623 1.00 0.00 C ATOM 924 C PRO A 68 0.301 -2.204 -11.441 1.00 0.00 C ATOM 925 O PRO A 68 0.674 -1.338 -10.653 1.00 0.00 O ATOM 926 CB PRO A 68 -1.716 -2.095 -12.978 1.00 0.00 C ATOM 927 CG PRO A 68 -2.626 -0.902 -12.668 1.00 0.00 C ATOM 928 CD PRO A 68 -2.938 -0.981 -11.171 1.00 0.00 C ATOM 0 HA PRO A 68 -1.235 -3.632 -11.554 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.908 -1.809 -13.652 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.270 -2.897 -13.467 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.133 0.038 -12.914 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.541 -0.946 -13.259 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.854 0.001 -10.705 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.959 -1.326 -11.005 1.00 0.00 H new ATOM 936 N ALA A 69 1.153 -2.917 -12.167 1.00 0.00 N ATOM 937 CA ALA A 69 2.583 -2.739 -12.007 1.00 0.00 C ATOM 938 C ALA A 69 3.000 -1.424 -12.644 1.00 0.00 C ATOM 939 O ALA A 69 2.382 -0.955 -13.602 1.00 0.00 O ATOM 940 CB ALA A 69 3.345 -3.896 -12.640 1.00 0.00 C ATOM 0 H ALA A 69 0.881 -3.613 -12.861 1.00 0.00 H new ATOM 0 HA ALA A 69 2.821 -2.720 -10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.416 -3.742 -12.508 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.051 -4.830 -12.161 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.114 -3.945 -13.704 1.00 0.00 H new ATOM 946 N ASN A 70 4.054 -0.836 -12.088 1.00 0.00 N ATOM 947 CA ASN A 70 4.677 0.383 -12.571 1.00 0.00 C ATOM 948 C ASN A 70 3.604 1.449 -12.666 1.00 0.00 C ATOM 949 O ASN A 70 3.450 2.110 -13.693 1.00 0.00 O ATOM 950 CB ASN A 70 5.400 0.139 -13.894 1.00 0.00 C ATOM 951 CG ASN A 70 6.455 -0.953 -13.773 1.00 0.00 C ATOM 952 OD1 ASN A 70 7.478 -0.778 -13.117 1.00 0.00 O ATOM 953 ND2 ASN A 70 6.215 -2.114 -14.363 1.00 0.00 N ATOM 0 H ASN A 70 4.512 -1.212 -11.258 1.00 0.00 H new ATOM 0 HA ASN A 70 5.447 0.726 -11.880 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.674 -0.141 -14.658 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.872 1.064 -14.226 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.885 -2.878 -14.276 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.360 -2.244 -14.905 1.00 0.00 H new ATOM 960 N THR A 71 2.835 1.570 -11.589 1.00 0.00 N ATOM 961 CA THR A 71 1.700 2.457 -11.491 1.00 0.00 C ATOM 962 C THR A 71 1.624 2.977 -10.057 1.00 0.00 C ATOM 963 O THR A 71 2.001 2.299 -9.097 1.00 0.00 O ATOM 964 CB THR A 71 0.416 1.722 -11.919 1.00 0.00 C ATOM 965 OG1 THR A 71 0.544 1.204 -13.233 1.00 0.00 O ATOM 966 CG2 THR A 71 -0.811 2.640 -11.874 1.00 0.00 C ATOM 0 H THR A 71 2.997 1.033 -10.737 1.00 0.00 H new ATOM 0 HA THR A 71 1.810 3.308 -12.163 1.00 0.00 H new ATOM 0 HB THR A 71 0.274 0.907 -11.209 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.175 0.454 -13.229 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.695 2.082 -12.183 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.952 3.009 -10.858 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.660 3.483 -12.549 1.00 0.00 H new ATOM 974 N CYS A 72 1.136 4.207 -9.958 1.00 0.00 N ATOM 975 CA CYS A 72 0.796 4.952 -8.759 1.00 0.00 C ATOM 976 C CYS A 72 -0.717 4.896 -8.572 1.00 0.00 C ATOM 977 O CYS A 72 -1.443 5.029 -9.557 1.00 0.00 O ATOM 978 CB CYS A 72 1.238 6.399 -9.002 1.00 0.00 C ATOM 979 SG CYS A 72 0.141 7.629 -8.299 1.00 0.00 S ATOM 0 H CYS A 72 0.952 4.758 -10.797 1.00 0.00 H new ATOM 0 HA CYS A 72 1.280 4.545 -7.871 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.236 6.537 -8.585 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.315 6.568 -10.076 1.00 0.00 H new ATOM 984 N CYS A 73 -1.209 4.685 -7.352 1.00 0.00 N ATOM 985 CA CYS A 73 -2.626 4.511 -7.080 1.00 0.00 C ATOM 986 C CYS A 73 -3.009 5.216 -5.781 1.00 0.00 C ATOM 987 O CYS A 73 -2.359 5.016 -4.757 1.00 0.00 O ATOM 988 CB CYS A 73 -2.947 3.025 -6.970 1.00 0.00 C ATOM 989 SG CYS A 73 -3.019 2.116 -8.529 1.00 0.00 S ATOM 0 H CYS A 73 -0.624 4.630 -6.518 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.197 4.949 -7.899 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.196 2.557 -6.333 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.906 2.917 -6.464 1.00 0.00 H new ATOM 994 N ASN A 74 -4.043 6.059 -5.817 1.00 0.00 N ATOM 995 CA ASN A 74 -4.513 6.830 -4.670 1.00 0.00 C ATOM 996 C ASN A 74 -5.240 5.949 -3.662 1.00 0.00 C ATOM 997 O ASN A 74 -6.101 5.155 -4.041 1.00 0.00 O ATOM 998 CB ASN A 74 -5.493 7.928 -5.098 1.00 0.00 C ATOM 999 CG ASN A 74 -6.205 8.518 -3.882 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -7.413 8.363 -3.733 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -5.475 9.138 -2.961 1.00 0.00 N ATOM 0 H ASN A 74 -4.587 6.226 -6.664 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.623 7.267 -4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.957 8.714 -5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.227 7.518 -5.792 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.918 9.494 -2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.472 9.258 -3.101 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.938 6.145 -2.384 1.00 0.00 N ATOM 1009 CA ILE A 75 -5.585 5.536 -1.242 1.00 0.00 C ATOM 1010 C ILE A 75 -6.515 6.598 -0.662 1.00 0.00 C ATOM 1011 O ILE A 75 -6.042 7.607 -0.136 1.00 0.00 O ATOM 1012 CB ILE A 75 -4.481 5.131 -0.245 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -3.755 3.851 -0.654 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -5.009 4.856 1.156 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -3.284 3.866 -2.093 1.00 0.00 C ATOM 0 H ILE A 75 -4.185 6.775 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.163 4.645 -1.490 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.812 5.992 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.896 3.703 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.420 3.000 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.182 4.576 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.491 5.753 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.733 4.042 1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.776 2.928 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.142 3.984 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.594 4.697 -2.241 1.00 0.00 H new ATOM 1027 N ASN A 76 -7.829 6.395 -0.737 1.00 0.00 N ATOM 1028 CA ASN A 76 -8.766 7.249 -0.014 1.00 0.00 C ATOM 1029 C ASN A 76 -10.018 6.462 0.340 1.00 0.00 C ATOM 1030 O ASN A 76 -11.055 6.586 -0.320 1.00 0.00 O ATOM 1031 CB ASN A 76 -9.087 8.523 -0.803 1.00 0.00 C ATOM 1032 CG ASN A 76 -9.844 9.527 0.068 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -9.290 10.521 0.525 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -11.116 9.276 0.330 1.00 0.00 N ATOM 0 H ASN A 76 -8.265 5.654 -1.286 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.299 7.574 0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.163 8.974 -1.166 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.685 8.272 -1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.651 9.914 0.920 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.562 8.445 -0.058 1.00 0.00 H new ATOM 1041 N THR A 77 -9.923 5.626 1.366 1.00 0.00 N ATOM 1042 CA THR A 77 -11.052 4.917 1.937 1.00 0.00 C ATOM 1043 C THR A 77 -11.901 5.894 2.756 1.00 0.00 C ATOM 1044 O THR A 77 -11.469 7.009 3.062 1.00 0.00 O ATOM 1045 CB THR A 77 -10.505 3.773 2.805 1.00 0.00 C ATOM 1046 OG1 THR A 77 -9.244 4.125 3.335 1.00 0.00 O ATOM 1047 CG2 THR A 77 -10.294 2.520 1.959 1.00 0.00 C ATOM 0 H THR A 77 -9.039 5.420 1.831 1.00 0.00 H new ATOM 0 HA THR A 77 -11.690 4.496 1.160 1.00 0.00 H new ATOM 0 HB THR A 77 -11.227 3.588 3.600 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.368 4.666 4.143 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.906 1.718 2.587 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.244 2.212 1.522 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.581 2.734 1.163 1.00 0.00 H new ATOM 1055 N GLY A 78 -13.123 5.485 3.104 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.976 6.259 3.994 1.00 0.00 C ATOM 1057 C GLY A 78 -13.251 6.496 5.316 1.00 0.00 C ATOM 1058 O GLY A 78 -13.136 7.623 5.785 1.00 0.00 O ATOM 0 H GLY A 78 -13.542 4.614 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.232 7.212 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.912 5.729 4.170 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.751 5.411 5.903 1.00 0.00 N ATOM 1063 CA PHE A 79 -11.889 5.481 7.067 1.00 0.00 C ATOM 1064 C PHE A 79 -10.499 5.879 6.657 1.00 0.00 C ATOM 1065 O PHE A 79 -10.069 5.646 5.527 1.00 0.00 O ATOM 1066 CB PHE A 79 -11.834 4.147 7.814 1.00 0.00 C ATOM 1067 CG PHE A 79 -11.450 2.951 6.953 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -12.380 2.345 6.088 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -10.121 2.491 6.967 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -11.963 1.329 5.209 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -9.748 1.383 6.189 1.00 0.00 C ATOM 1072 CZ PHE A 79 -10.662 0.814 5.293 1.00 0.00 C ATOM 0 H PHE A 79 -12.936 4.461 5.580 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.308 6.230 7.738 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.119 4.233 8.632 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.809 3.957 8.262 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.413 2.660 6.099 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.385 2.992 7.578 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.647 0.945 4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.755 0.969 6.282 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.366 -0.017 4.670 1.00 0.00 H new ATOM 1082 N TYR A 80 -9.815 6.477 7.625 1.00 0.00 N ATOM 1083 CA TYR A 80 -8.424 6.806 7.493 1.00 0.00 C ATOM 1084 C TYR A 80 -7.569 5.614 7.896 1.00 0.00 C ATOM 1085 O TYR A 80 -7.845 4.983 8.919 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.076 8.029 8.324 1.00 0.00 C ATOM 1087 CG TYR A 80 -6.609 8.396 8.183 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.108 8.816 6.936 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -5.709 8.024 9.198 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -4.721 8.871 6.714 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -4.326 8.059 8.969 1.00 0.00 C ATOM 1092 CZ TYR A 80 -3.834 8.455 7.718 1.00 0.00 C ATOM 1093 OH TYR A 80 -2.497 8.391 7.465 1.00 0.00 O ATOM 0 H TYR A 80 -10.222 6.743 8.522 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.219 7.046 6.450 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.695 8.871 8.012 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.305 7.836 9.372 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.791 9.097 6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.086 7.709 10.160 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.339 9.233 5.771 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.641 7.781 9.756 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.026 8.085 8.268 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.525 5.344 7.120 1.00 0.00 N ATOM 1104 CA ILE A 81 -5.716 4.154 7.218 1.00 0.00 C ATOM 1105 C ILE A 81 -4.425 4.464 7.973 1.00 0.00 C ATOM 1106 O ILE A 81 -3.722 5.414 7.632 1.00 0.00 O ATOM 1107 CB ILE A 81 -5.466 3.547 5.841 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.168 4.644 4.813 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -6.653 2.661 5.427 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.442 5.163 4.149 1.00 0.00 C ATOM 0 H ILE A 81 -6.215 5.976 6.382 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.254 3.398 7.790 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.584 2.908 5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.651 5.470 5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.494 4.254 4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.462 2.234 4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.778 1.858 6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.561 3.263 5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.186 5.939 3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.945 4.343 3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.105 5.578 4.908 1.00 0.00 H new ATOM 1122 N ARG A 82 -4.115 3.682 9.005 1.00 0.00 N ATOM 1123 CA ARG A 82 -2.913 3.862 9.817 1.00 0.00 C ATOM 1124 C ARG A 82 -1.897 2.766 9.576 1.00 0.00 C ATOM 1125 O ARG A 82 -0.746 2.948 9.958 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.254 3.890 11.303 1.00 0.00 C ATOM 1127 CG ARG A 82 -3.887 5.230 11.654 1.00 0.00 C ATOM 1128 CD ARG A 82 -4.885 5.113 12.810 1.00 0.00 C ATOM 1129 NE ARG A 82 -6.257 5.114 12.286 1.00 0.00 N ATOM 1130 CZ ARG A 82 -7.082 6.165 12.199 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -6.775 7.331 12.770 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -8.213 6.066 11.501 1.00 0.00 N ATOM 0 H ARG A 82 -4.696 2.899 9.304 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.481 4.817 9.518 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.939 3.078 11.545 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.353 3.735 11.897 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.105 5.940 11.922 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.395 5.631 10.777 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.701 4.196 13.370 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.751 5.943 13.504 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.619 4.220 11.954 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.899 7.433 13.283 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.416 8.121 12.693 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.449 5.190 11.034 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.843 6.866 11.434 1.00 0.00 H new ATOM 1146 N SER A 83 -2.292 1.632 8.998 1.00 0.00 N ATOM 1147 CA SER A 83 -1.304 0.599 8.669 1.00 0.00 C ATOM 1148 C SER A 83 -1.531 -0.071 7.316 1.00 0.00 C ATOM 1149 O SER A 83 -2.617 0.026 6.750 1.00 0.00 O ATOM 1150 CB SER A 83 -1.237 -0.465 9.764 1.00 0.00 C ATOM 1151 OG SER A 83 -1.253 0.091 11.072 1.00 0.00 O ATOM 0 H SER A 83 -3.256 1.407 8.753 1.00 0.00 H new ATOM 0 HA SER A 83 -0.352 1.126 8.602 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.080 -1.147 9.654 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.330 -1.055 9.636 1.00 0.00 H new ATOM 0 HG SER A 83 -2.178 0.277 11.337 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.522 -0.809 6.847 1.00 0.00 N ATOM 1158 CA TYR A 84 -0.597 -1.657 5.667 1.00 0.00 C ATOM 1159 C TYR A 84 0.400 -2.810 5.738 1.00 0.00 C ATOM 1160 O TYR A 84 1.353 -2.773 6.516 1.00 0.00 O ATOM 1161 CB TYR A 84 -0.403 -0.854 4.371 1.00 0.00 C ATOM 1162 CG TYR A 84 1.026 -0.570 3.926 1.00 0.00 C ATOM 1163 CD1 TYR A 84 1.769 0.467 4.522 1.00 0.00 C ATOM 1164 CD2 TYR A 84 1.521 -1.188 2.760 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.932 0.954 3.893 1.00 0.00 C ATOM 1166 CE2 TYR A 84 2.666 -0.683 2.122 1.00 0.00 C ATOM 1167 CZ TYR A 84 3.364 0.403 2.674 1.00 0.00 C ATOM 1168 OH TYR A 84 4.359 0.986 1.947 1.00 0.00 O ATOM 0 H TYR A 84 0.394 -0.830 7.295 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.602 -2.080 5.650 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.906 -1.389 3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.915 0.101 4.487 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.447 0.890 5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.018 -2.054 2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.495 1.755 4.350 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.011 -1.132 1.202 1.00 0.00 H new ATOM 0 HH TYR A 84 4.804 1.669 2.491 1.00 0.00 H new ATOM 1178 N ARG A 85 0.166 -3.827 4.911 1.00 0.00 N ATOM 1179 CA ARG A 85 1.132 -4.815 4.479 1.00 0.00 C ATOM 1180 C ARG A 85 0.927 -5.047 2.991 1.00 0.00 C ATOM 1181 O ARG A 85 -0.213 -5.097 2.537 1.00 0.00 O ATOM 1182 CB ARG A 85 0.844 -6.128 5.194 1.00 0.00 C ATOM 1183 CG ARG A 85 1.845 -6.353 6.302 1.00 0.00 C ATOM 1184 CD ARG A 85 1.262 -7.425 7.205 1.00 0.00 C ATOM 1185 NE ARG A 85 2.323 -8.246 7.799 1.00 0.00 N ATOM 1186 CZ ARG A 85 2.412 -8.630 9.078 1.00 0.00 C ATOM 1187 NH1 ARG A 85 1.473 -8.255 9.950 1.00 0.00 N ATOM 1188 NH2 ARG A 85 3.433 -9.386 9.467 1.00 0.00 N ATOM 0 H ARG A 85 -0.757 -3.986 4.506 1.00 0.00 H new ATOM 0 HA ARG A 85 2.145 -4.475 4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.166 -6.112 5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.886 -6.954 4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.806 -6.669 5.897 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.021 -5.432 6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.672 -6.959 7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.584 -8.059 6.633 1.00 0.00 H new ATOM 0 HE ARG A 85 3.068 -8.555 7.174 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.691 -7.678 9.641 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.538 -8.546 10.926 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.143 -9.670 8.792 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.507 -9.682 10.440 1.00 0.00 H new ATOM 1202 N ARG A 86 2.008 -5.272 2.250 1.00 0.00 N ATOM 1203 CA ARG A 86 1.908 -5.845 0.913 1.00 0.00 C ATOM 1204 C ARG A 86 1.343 -7.258 1.052 1.00 0.00 C ATOM 1205 O ARG A 86 1.534 -7.868 2.105 1.00 0.00 O ATOM 1206 CB ARG A 86 3.315 -5.912 0.312 1.00 0.00 C ATOM 1207 CG ARG A 86 3.428 -5.659 -1.187 1.00 0.00 C ATOM 1208 CD ARG A 86 3.418 -6.912 -2.075 1.00 0.00 C ATOM 1209 NE ARG A 86 4.528 -6.865 -3.049 1.00 0.00 N ATOM 1210 CZ ARG A 86 4.446 -6.550 -4.351 1.00 0.00 C ATOM 1211 NH1 ARG A 86 3.274 -6.417 -4.947 1.00 0.00 N ATOM 1212 NH2 ARG A 86 5.540 -6.334 -5.074 1.00 0.00 N ATOM 0 H ARG A 86 2.960 -5.067 2.552 1.00 0.00 H new ATOM 0 HA ARG A 86 1.264 -5.245 0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.941 -5.185 0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.730 -6.898 0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.604 -5.014 -1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.350 -5.109 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.507 -7.805 -1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.467 -6.984 -2.602 1.00 0.00 H new ATOM 0 HE ARG A 86 5.456 -7.097 -2.694 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.414 -6.554 -4.417 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.230 -6.177 -5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.460 -6.407 -4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.459 -6.096 -6.062 1.00 0.00 H new ATOM 1226 N VAL A 87 0.684 -7.802 0.030 1.00 0.00 N ATOM 1227 CA VAL A 87 0.149 -9.159 0.098 1.00 0.00 C ATOM 1228 C VAL A 87 0.482 -10.032 -1.108 1.00 0.00 C ATOM 1229 O VAL A 87 0.465 -11.251 -0.950 1.00 0.00 O ATOM 1230 CB VAL A 87 -1.346 -9.171 0.437 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -1.574 -8.579 1.830 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.210 -8.455 -0.606 1.00 0.00 C ATOM 0 H VAL A 87 0.508 -7.324 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 87 0.675 -9.630 0.928 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.663 -10.214 0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.639 -8.592 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.035 -9.171 2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.211 -7.552 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.257 -8.501 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.900 -7.413 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.089 -8.941 -1.574 1.00 0.00 H new ATOM 1242 N GLU A 88 0.784 -9.468 -2.277 1.00 0.00 N ATOM 1243 CA GLU A 88 1.394 -10.196 -3.376 1.00 0.00 C ATOM 1244 C GLU A 88 1.818 -9.146 -4.403 1.00 0.00 C ATOM 1245 CB GLU A 88 0.415 -11.213 -3.992 1.00 0.00 C ATOM 1246 CG GLU A 88 1.108 -12.429 -4.627 1.00 0.00 C ATOM 1247 CD GLU A 88 1.901 -13.261 -3.636 1.00 0.00 C ATOM 1248 OE1 GLU A 88 1.289 -13.963 -2.801 1.00 0.00 O ATOM 1249 OE2 GLU A 88 3.147 -13.234 -3.730 1.00 0.00 O ATOM 0 H GLU A 88 0.609 -8.485 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 88 2.249 -10.776 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.270 -11.559 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.187 -10.712 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.355 -13.061 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.776 -12.085 -5.417 1.00 0.00 H new TER 1256 GLU A 88