USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 568 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= 0.961 K(o=2.1,f=-2.7!) USER MOD Set 1.2: A 84 TYR OH : rot -127:sc= 1.16 USER MOD Set 2.1: A 35 HIS : no HE2:sc= 0.41 K(o=-1.8,f=-4.5!) USER MOD Set 2.2: A 74 ASN : amide:sc= -1.33 X(o=-1.8,f=-1.4!) USER MOD Set 2.3: A 76 ASN : amide:sc= -0.917 K(o=-1.8,f=-2.5!) USER MOD Set 3.1: A 7 MET CE :methyl 174:sc= -0.556 (180deg=-0.753) USER MOD Set 3.2: A 37 MET CE :methyl -173:sc= -0.503 (180deg=-0.542) USER MOD Set 4.1: A 22 GLN :FLIP amide:sc= 1 F(o=1.6,f=3) USER MOD Set 4.2: A 26 THR OG1 : rot -157:sc= 1.97 USER MOD Set 5.1: A 9 LYS NZ :NH3+ -148:sc= 1.18 (180deg=1.06) USER MOD Set 5.2: A 17 SER OG : rot -150:sc= 0.201 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0321 K(o=-0.032,f=-6.9!) USER MOD Single : A 14 ASN : amide:sc= -0.0911 K(o=-0.091,f=-1.1) USER MOD Single : A 15 THR OG1 : rot -38:sc= 0.328 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.712 X(o=-0.71,f=-0.36) USER MOD Single : A 33 ASN : amide:sc= 0.495 K(o=0.49,f=-2.3!) USER MOD Single : A 39 THR OG1 : rot 54:sc= 1.02 USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= -0.0318 (180deg=-0.23) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 56 SER OG : rot 158:sc= 0.459 USER MOD Single : A 62 SER OG : rot 180:sc= 0 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 176:sc= -0.0667 (180deg=-0.148) USER MOD Single : A 70 ASN : amide:sc= 0.765 K(o=0.76,f=-0.04) USER MOD Single : A 71 THR OG1 : rot -75:sc= 0.124 USER MOD Single : A 77 THR OG1 : rot 53:sc= 0.216 USER MOD Single : A 80 TYR OH : rot -86:sc= 0.518 USER MOD Single : A 83 SER OG : rot 88:sc= 2.42 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 4 8.799 -3.065 -7.983 1.00 0.00 N ATOM 27 CA TYR A 4 8.674 -2.778 -6.570 1.00 0.00 C ATOM 28 C TYR A 4 7.264 -2.296 -6.308 1.00 0.00 C ATOM 29 O TYR A 4 6.549 -1.899 -7.232 1.00 0.00 O ATOM 30 CB TYR A 4 9.661 -1.681 -6.151 1.00 0.00 C ATOM 31 CG TYR A 4 9.836 -0.584 -7.181 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.939 0.499 -7.258 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.864 -0.707 -8.130 1.00 0.00 C ATOM 34 CE1 TYR A 4 9.085 1.459 -8.276 1.00 0.00 C ATOM 35 CE2 TYR A 4 11.027 0.266 -9.125 1.00 0.00 C ATOM 36 CZ TYR A 4 10.130 1.339 -9.207 1.00 0.00 C ATOM 37 OH TYR A 4 10.302 2.255 -10.194 1.00 0.00 O ATOM 0 HA TYR A 4 8.892 -3.680 -5.998 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.319 -1.237 -5.216 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.631 -2.136 -5.951 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.140 0.592 -6.537 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.532 -1.555 -8.093 1.00 0.00 H new ATOM 0 HE1 TYR A 4 8.395 2.287 -8.342 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.843 0.189 -9.828 1.00 0.00 H new ATOM 0 HH TYR A 4 11.077 2.006 -10.740 1.00 0.00 H new ATOM 47 N LEU A 5 6.922 -2.280 -5.027 1.00 0.00 N ATOM 48 CA LEU A 5 5.722 -1.687 -4.484 1.00 0.00 C ATOM 49 C LEU A 5 6.140 -0.924 -3.230 1.00 0.00 C ATOM 50 O LEU A 5 6.673 -1.518 -2.287 1.00 0.00 O ATOM 51 CB LEU A 5 4.688 -2.799 -4.262 1.00 0.00 C ATOM 52 CG LEU A 5 3.317 -2.313 -3.758 1.00 0.00 C ATOM 53 CD1 LEU A 5 2.199 -3.049 -4.507 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.165 -2.600 -2.260 1.00 0.00 C ATOM 0 H LEU A 5 7.508 -2.703 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 5 5.237 -0.972 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.545 -3.336 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.091 -3.513 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 5 3.249 -1.240 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.230 -2.702 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.283 -2.848 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.288 -4.121 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.190 -2.250 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.247 -3.673 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.949 -2.081 -1.709 1.00 0.00 H new ATOM 66 N ILE A 6 5.994 0.397 -3.264 1.00 0.00 N ATOM 67 CA ILE A 6 6.333 1.318 -2.190 1.00 0.00 C ATOM 68 C ILE A 6 5.124 2.211 -1.968 1.00 0.00 C ATOM 69 O ILE A 6 4.166 2.152 -2.742 1.00 0.00 O ATOM 70 CB ILE A 6 7.565 2.161 -2.571 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.339 2.920 -3.893 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.816 1.279 -2.625 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.548 3.743 -4.327 1.00 0.00 C ATOM 0 H ILE A 6 5.617 0.875 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 6 6.582 0.773 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 6 7.720 2.915 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.094 2.205 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.479 3.580 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.679 1.888 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.984 0.825 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.677 0.496 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.324 4.252 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.780 4.481 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.405 3.084 -4.468 1.00 0.00 H new ATOM 85 N MET A 7 5.169 3.069 -0.956 1.00 0.00 N ATOM 86 CA MET A 7 4.309 4.213 -0.902 1.00 0.00 C ATOM 87 C MET A 7 5.125 5.458 -0.633 1.00 0.00 C ATOM 88 O MET A 7 6.301 5.380 -0.285 1.00 0.00 O ATOM 89 CB MET A 7 3.201 3.984 0.105 1.00 0.00 C ATOM 90 CG MET A 7 3.664 3.619 1.515 1.00 0.00 C ATOM 91 SD MET A 7 2.356 3.673 2.761 1.00 0.00 S ATOM 92 CE MET A 7 1.070 2.688 1.962 1.00 0.00 C ATOM 0 H MET A 7 5.803 2.980 -0.162 1.00 0.00 H new ATOM 0 HA MET A 7 3.821 4.365 -1.865 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.593 4.887 0.163 1.00 0.00 H new ATOM 0 HB3 MET A 7 2.555 3.188 -0.265 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.092 2.617 1.497 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.461 4.301 1.811 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.241 2.542 2.654 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.713 3.208 1.073 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.479 1.719 1.676 1.00 0.00 H new ATOM 102 N CYS A 8 4.490 6.591 -0.880 1.00 0.00 N ATOM 103 CA CYS A 8 5.108 7.880 -1.079 1.00 0.00 C ATOM 104 C CYS A 8 4.201 8.924 -0.475 1.00 0.00 C ATOM 105 O CYS A 8 3.007 8.684 -0.273 1.00 0.00 O ATOM 106 CB CYS A 8 5.254 8.169 -2.574 1.00 0.00 C ATOM 107 SG CYS A 8 6.338 7.085 -3.521 1.00 0.00 S ATOM 0 H CYS A 8 3.473 6.633 -0.950 1.00 0.00 H new ATOM 0 HA CYS A 8 6.094 7.893 -0.615 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.262 8.131 -3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.616 9.191 -2.687 1.00 0.00 H new ATOM 112 N LYS A 9 4.765 10.100 -0.209 1.00 0.00 N ATOM 113 CA LYS A 9 3.943 11.229 0.178 1.00 0.00 C ATOM 114 C LYS A 9 2.825 11.465 -0.834 1.00 0.00 C ATOM 115 O LYS A 9 1.649 11.559 -0.486 1.00 0.00 O ATOM 116 CB LYS A 9 4.781 12.495 0.296 1.00 0.00 C ATOM 117 CG LYS A 9 5.846 12.358 1.380 1.00 0.00 C ATOM 118 CD LYS A 9 6.337 13.774 1.659 1.00 0.00 C ATOM 119 CE LYS A 9 7.690 13.778 2.367 1.00 0.00 C ATOM 120 NZ LYS A 9 8.773 14.247 1.480 1.00 0.00 N ATOM 0 H LYS A 9 5.766 10.288 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 9 3.505 10.994 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.258 12.708 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.134 13.342 0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.432 11.903 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.664 11.719 1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.417 14.322 0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.604 14.298 2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.638 14.419 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.919 12.772 2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.660 13.765 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.530 14.033 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.893 15.274 1.592 1.00 0.00 H new ATOM 134 N ASN A 10 3.242 11.589 -2.091 1.00 0.00 N ATOM 135 CA ASN A 10 2.446 12.020 -3.223 1.00 0.00 C ATOM 136 C ASN A 10 2.693 11.046 -4.361 1.00 0.00 C ATOM 137 O ASN A 10 3.399 10.054 -4.205 1.00 0.00 O ATOM 138 CB ASN A 10 2.826 13.451 -3.637 1.00 0.00 C ATOM 139 CG ASN A 10 4.254 13.605 -4.147 1.00 0.00 C ATOM 140 OD1 ASN A 10 5.025 12.654 -4.177 1.00 0.00 O ATOM 141 ND2 ASN A 10 4.628 14.812 -4.554 1.00 0.00 N ATOM 0 H ASN A 10 4.204 11.377 -2.356 1.00 0.00 H new ATOM 0 HA ASN A 10 1.388 12.029 -2.961 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.138 13.785 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.686 14.112 -2.782 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.575 14.962 -4.901 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.968 15.589 -4.520 1.00 0.00 H new ATOM 148 N CYS A 11 2.154 11.352 -5.531 1.00 0.00 N ATOM 149 CA CYS A 11 2.245 10.470 -6.693 1.00 0.00 C ATOM 150 C CYS A 11 3.636 10.426 -7.333 1.00 0.00 C ATOM 151 O CYS A 11 3.808 9.789 -8.371 1.00 0.00 O ATOM 152 CB CYS A 11 1.212 10.964 -7.698 1.00 0.00 C ATOM 153 SG CYS A 11 0.799 9.928 -9.120 1.00 0.00 S ATOM 0 H CYS A 11 1.641 12.216 -5.706 1.00 0.00 H new ATOM 0 HA CYS A 11 2.054 9.446 -6.371 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.288 11.155 -7.152 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.560 11.923 -8.081 1.00 0.00 H new ATOM 158 N ASP A 12 4.629 11.106 -6.745 1.00 0.00 N ATOM 159 CA ASP A 12 5.969 11.223 -7.319 1.00 0.00 C ATOM 160 C ASP A 12 6.956 10.244 -6.669 1.00 0.00 C ATOM 161 O ASP A 12 7.410 10.492 -5.550 1.00 0.00 O ATOM 162 CB ASP A 12 6.499 12.655 -7.188 1.00 0.00 C ATOM 163 CG ASP A 12 7.646 12.867 -8.148 1.00 0.00 C ATOM 164 OD1 ASP A 12 8.602 12.068 -8.139 1.00 0.00 O ATOM 165 OD2 ASP A 12 7.542 13.816 -8.956 1.00 0.00 O ATOM 0 H ASP A 12 4.521 11.591 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 12 5.884 10.969 -8.376 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.702 13.368 -7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.830 12.838 -6.166 1.00 0.00 H new ATOM 170 N PRO A 13 7.347 9.148 -7.335 1.00 0.00 N ATOM 171 CA PRO A 13 8.340 8.252 -6.775 1.00 0.00 C ATOM 172 C PRO A 13 9.703 8.929 -6.619 1.00 0.00 C ATOM 173 O PRO A 13 10.455 8.595 -5.702 1.00 0.00 O ATOM 174 CB PRO A 13 8.425 7.054 -7.721 1.00 0.00 C ATOM 175 CG PRO A 13 7.858 7.577 -9.041 1.00 0.00 C ATOM 176 CD PRO A 13 6.897 8.694 -8.639 1.00 0.00 C ATOM 0 HA PRO A 13 8.049 7.944 -5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.453 6.711 -7.837 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.847 6.209 -7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.649 7.951 -9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.341 6.789 -9.589 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.916 9.507 -9.365 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.870 8.330 -8.594 1.00 0.00 H new ATOM 184 N ASN A 14 10.064 9.832 -7.536 1.00 0.00 N ATOM 185 CA ASN A 14 11.412 10.374 -7.574 1.00 0.00 C ATOM 186 C ASN A 14 11.627 11.366 -6.440 1.00 0.00 C ATOM 187 O ASN A 14 12.653 11.306 -5.766 1.00 0.00 O ATOM 188 CB ASN A 14 11.726 11.040 -8.916 1.00 0.00 C ATOM 189 CG ASN A 14 13.191 11.464 -8.925 1.00 0.00 C ATOM 190 OD1 ASN A 14 13.547 12.499 -8.371 1.00 0.00 O ATOM 191 ND2 ASN A 14 14.067 10.669 -9.524 1.00 0.00 N ATOM 0 H ASN A 14 9.440 10.197 -8.256 1.00 0.00 H new ATOM 0 HA ASN A 14 12.096 9.534 -7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.528 10.349 -9.735 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.082 11.906 -9.067 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.057 10.914 -9.530 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.751 9.813 -9.979 1.00 0.00 H new ATOM 198 N THR A 15 10.690 12.295 -6.256 1.00 0.00 N ATOM 199 CA THR A 15 10.857 13.416 -5.334 1.00 0.00 C ATOM 200 C THR A 15 9.708 13.515 -4.318 1.00 0.00 C ATOM 201 O THR A 15 9.533 14.541 -3.654 1.00 0.00 O ATOM 202 CB THR A 15 11.162 14.695 -6.141 1.00 0.00 C ATOM 203 OG1 THR A 15 11.530 15.778 -5.313 1.00 0.00 O ATOM 204 CG2 THR A 15 10.011 15.137 -7.044 1.00 0.00 C ATOM 0 H THR A 15 9.793 12.291 -6.742 1.00 0.00 H new ATOM 0 HA THR A 15 11.722 13.252 -4.692 1.00 0.00 H new ATOM 0 HB THR A 15 12.005 14.418 -6.774 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.994 15.760 -4.493 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.296 16.042 -7.580 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.786 14.346 -7.760 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.129 15.338 -6.437 1.00 0.00 H new ATOM 212 N GLY A 16 8.934 12.448 -4.129 1.00 0.00 N ATOM 213 CA GLY A 16 7.953 12.389 -3.054 1.00 0.00 C ATOM 214 C GLY A 16 8.617 12.156 -1.697 1.00 0.00 C ATOM 215 O GLY A 16 8.164 12.695 -0.689 1.00 0.00 O ATOM 0 H GLY A 16 8.970 11.611 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.386 13.319 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.242 11.588 -3.254 1.00 0.00 H new ATOM 219 N SER A 17 9.684 11.352 -1.669 1.00 0.00 N ATOM 220 CA SER A 17 10.201 10.654 -0.493 1.00 0.00 C ATOM 221 C SER A 17 9.231 9.514 -0.195 1.00 0.00 C ATOM 222 O SER A 17 8.048 9.761 0.058 1.00 0.00 O ATOM 223 CB SER A 17 10.372 11.544 0.745 1.00 0.00 C ATOM 224 OG SER A 17 10.899 12.819 0.421 1.00 0.00 O ATOM 0 H SER A 17 10.235 11.163 -2.506 1.00 0.00 H new ATOM 0 HA SER A 17 11.206 10.298 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.408 11.666 1.238 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.033 11.050 1.457 1.00 0.00 H new ATOM 0 HG SER A 17 11.422 13.158 1.177 1.00 0.00 H new ATOM 230 N CYS A 18 9.690 8.276 -0.309 1.00 0.00 N ATOM 231 CA CYS A 18 8.856 7.108 -0.331 1.00 0.00 C ATOM 232 C CYS A 18 9.483 6.051 0.552 1.00 0.00 C ATOM 233 O CYS A 18 10.711 6.025 0.677 1.00 0.00 O ATOM 234 CB CYS A 18 8.863 6.605 -1.764 1.00 0.00 C ATOM 235 SG CYS A 18 8.272 7.711 -3.062 1.00 0.00 S ATOM 0 H CYS A 18 10.684 8.062 -0.390 1.00 0.00 H new ATOM 0 HA CYS A 18 7.846 7.326 0.017 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.885 6.319 -2.011 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.260 5.697 -1.801 1.00 0.00 H new ATOM 240 N ASP A 19 8.687 5.147 1.122 1.00 0.00 N ATOM 241 CA ASP A 19 9.253 4.033 1.849 1.00 0.00 C ATOM 242 C ASP A 19 9.546 2.879 0.882 1.00 0.00 C ATOM 243 O ASP A 19 8.751 1.961 0.677 1.00 0.00 O ATOM 244 CB ASP A 19 8.423 3.702 3.092 1.00 0.00 C ATOM 245 CG ASP A 19 6.925 3.740 2.935 1.00 0.00 C ATOM 246 OD1 ASP A 19 6.357 4.814 3.230 1.00 0.00 O ATOM 247 OD2 ASP A 19 6.327 2.669 2.730 1.00 0.00 O ATOM 0 H ASP A 19 7.668 5.170 1.091 1.00 0.00 H new ATOM 0 HA ASP A 19 10.225 4.292 2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.704 2.706 3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.700 4.400 3.882 1.00 0.00 H new ATOM 252 N TRP A 20 10.791 2.879 0.403 1.00 0.00 N ATOM 253 CA TRP A 20 11.503 1.785 -0.232 1.00 0.00 C ATOM 254 C TRP A 20 12.084 0.955 0.911 1.00 0.00 C ATOM 255 O TRP A 20 13.302 0.787 1.036 1.00 0.00 O ATOM 256 CB TRP A 20 12.618 2.339 -1.132 1.00 0.00 C ATOM 257 CG TRP A 20 12.239 3.330 -2.188 1.00 0.00 C ATOM 258 CD1 TRP A 20 12.100 4.660 -2.003 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.036 3.103 -3.610 1.00 0.00 C ATOM 260 NE1 TRP A 20 11.877 5.273 -3.217 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.813 4.359 -4.246 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.010 1.953 -4.422 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.576 4.471 -5.624 1.00 0.00 C ATOM 264 CZ3 TRP A 20 11.799 2.056 -5.808 1.00 0.00 C ATOM 265 CH2 TRP A 20 11.577 3.308 -6.411 1.00 0.00 C ATOM 0 H TRP A 20 11.369 3.717 0.457 1.00 0.00 H new ATOM 0 HA TRP A 20 10.853 1.182 -0.866 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.366 2.804 -0.490 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.101 1.495 -1.624 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.155 5.166 -1.050 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.772 6.280 -3.339 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.154 0.981 -3.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.396 5.437 -6.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.807 1.164 -6.417 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.408 3.374 -7.476 1.00 0.00 H new ATOM 276 N LYS A 21 11.190 0.508 1.788 1.00 0.00 N ATOM 277 CA LYS A 21 11.470 -0.251 2.988 1.00 0.00 C ATOM 278 C LYS A 21 10.798 -1.619 2.842 1.00 0.00 C ATOM 279 O LYS A 21 10.219 -1.944 1.801 1.00 0.00 O ATOM 280 CB LYS A 21 10.936 0.544 4.200 1.00 0.00 C ATOM 281 CG LYS A 21 11.979 0.792 5.299 1.00 0.00 C ATOM 282 CD LYS A 21 12.403 -0.512 5.969 1.00 0.00 C ATOM 283 CE LYS A 21 13.328 -0.270 7.165 1.00 0.00 C ATOM 284 NZ LYS A 21 13.777 -1.551 7.746 1.00 0.00 N ATOM 0 H LYS A 21 10.192 0.680 1.666 1.00 0.00 H new ATOM 0 HA LYS A 21 12.537 -0.410 3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.556 1.505 3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.092 0.005 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.852 1.283 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.568 1.470 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.517 -1.054 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.910 -1.145 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.192 0.315 6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.806 0.315 7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.403 -1.365 8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.951 -2.096 8.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.294 -2.096 7.027 1.00 0.00 H new ATOM 298 N GLN A 22 10.860 -2.426 3.898 1.00 0.00 N ATOM 299 CA GLN A 22 10.112 -3.659 3.964 1.00 0.00 C ATOM 300 C GLN A 22 8.634 -3.252 3.960 1.00 0.00 C ATOM 301 O GLN A 22 8.232 -2.269 4.587 1.00 0.00 O ATOM 302 CB GLN A 22 10.549 -4.363 5.258 1.00 0.00 C ATOM 303 CG GLN A 22 10.267 -5.862 5.391 1.00 0.00 C ATOM 304 CD GLN A 22 10.874 -6.381 6.688 1.00 0.00 C ATOM 305 OE1 GLN A 22 10.182 -6.218 7.802 1.00 0.00 O flip ATOM 306 NE2 GLN A 22 12.002 -6.865 6.703 1.00 0.00 N flip ATOM 0 H GLN A 22 11.429 -2.237 4.723 1.00 0.00 H new ATOM 0 HA GLN A 22 10.280 -4.348 3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.623 -4.214 5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.065 -3.857 6.093 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.192 -6.043 5.382 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.687 -6.399 4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.518 -6.982 5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.423 -7.150 7.587 1.00 0.00 H new ATOM 315 N ASN A 23 7.822 -4.051 3.289 1.00 0.00 N ATOM 316 CA ASN A 23 6.500 -3.705 2.771 1.00 0.00 C ATOM 317 C ASN A 23 5.559 -4.905 2.808 1.00 0.00 C ATOM 318 O ASN A 23 4.348 -4.725 2.697 1.00 0.00 O ATOM 319 CB ASN A 23 6.597 -3.043 1.379 1.00 0.00 C ATOM 320 CG ASN A 23 6.943 -1.549 1.468 1.00 0.00 C ATOM 321 OD1 ASN A 23 6.750 -0.929 2.507 1.00 0.00 O ATOM 322 ND2 ASN A 23 7.409 -0.927 0.395 1.00 0.00 N ATOM 0 H ASN A 23 8.078 -5.015 3.076 1.00 0.00 H new ATOM 0 HA ASN A 23 6.059 -2.956 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.356 -3.555 0.788 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.649 -3.164 0.855 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.609 0.073 0.431 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.568 -1.448 -0.468 1.00 0.00 H new ATOM 329 N TRP A 24 6.106 -6.110 2.976 1.00 0.00 N ATOM 330 CA TRP A 24 5.470 -7.407 2.984 1.00 0.00 C ATOM 331 C TRP A 24 5.760 -7.972 4.380 1.00 0.00 C ATOM 332 O TRP A 24 6.607 -7.422 5.088 1.00 0.00 O ATOM 333 CB TRP A 24 6.146 -8.164 1.832 1.00 0.00 C ATOM 334 CG TRP A 24 6.183 -9.649 1.788 1.00 0.00 C ATOM 335 CD1 TRP A 24 7.244 -10.379 2.181 1.00 0.00 C ATOM 336 CD2 TRP A 24 5.276 -10.575 1.131 1.00 0.00 C ATOM 337 NE1 TRP A 24 7.106 -11.673 1.716 1.00 0.00 N ATOM 338 CE2 TRP A 24 5.917 -11.845 1.035 1.00 0.00 C ATOM 339 CE3 TRP A 24 3.980 -10.470 0.599 1.00 0.00 C ATOM 340 CZ2 TRP A 24 5.331 -12.931 0.365 1.00 0.00 C ATOM 341 CZ3 TRP A 24 3.342 -11.589 0.052 1.00 0.00 C ATOM 342 CH2 TRP A 24 4.032 -12.793 -0.144 1.00 0.00 C ATOM 0 H TRP A 24 7.111 -6.198 3.125 1.00 0.00 H new ATOM 0 HA TRP A 24 4.392 -7.444 2.828 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.665 -7.833 0.912 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.180 -7.821 1.793 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.073 -10.011 2.768 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.797 -12.410 1.858 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.472 -9.517 0.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.872 -13.858 0.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.300 -11.524 -0.224 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.568 -13.606 -0.682 1.00 0.00 H new ATOM 353 N ASN A 25 5.026 -9.002 4.803 1.00 0.00 N ATOM 354 CA ASN A 25 5.270 -9.808 6.006 1.00 0.00 C ATOM 355 C ASN A 25 5.863 -9.025 7.178 1.00 0.00 C ATOM 356 O ASN A 25 6.959 -9.338 7.653 1.00 0.00 O ATOM 357 CB ASN A 25 6.100 -11.051 5.663 1.00 0.00 C ATOM 358 CG ASN A 25 5.238 -12.056 4.918 1.00 0.00 C ATOM 359 OD1 ASN A 25 4.825 -11.804 3.792 1.00 0.00 O ATOM 360 ND2 ASN A 25 4.890 -13.168 5.542 1.00 0.00 N ATOM 0 H ASN A 25 4.201 -9.315 4.291 1.00 0.00 H new ATOM 0 HA ASN A 25 4.291 -10.129 6.361 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.957 -10.770 5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.493 -11.500 6.575 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.267 -13.835 5.086 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.245 -13.359 6.479 1.00 0.00 H new ATOM 367 N THR A 26 5.162 -7.988 7.636 1.00 0.00 N ATOM 368 CA THR A 26 5.380 -7.279 8.896 1.00 0.00 C ATOM 369 C THR A 26 4.165 -6.370 9.123 1.00 0.00 C ATOM 370 O THR A 26 3.224 -6.403 8.334 1.00 0.00 O ATOM 371 CB THR A 26 6.696 -6.469 8.898 1.00 0.00 C ATOM 372 OG1 THR A 26 7.466 -6.657 7.729 1.00 0.00 O ATOM 373 CG2 THR A 26 7.571 -6.806 10.106 1.00 0.00 C ATOM 0 H THR A 26 4.382 -7.598 7.107 1.00 0.00 H new ATOM 0 HA THR A 26 5.482 -7.999 9.708 1.00 0.00 H new ATOM 0 HB THR A 26 6.380 -5.427 8.944 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.404 -6.444 7.917 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.486 -6.215 10.069 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.028 -6.578 11.023 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.823 -7.866 10.088 1.00 0.00 H new ATOM 381 N CYS A 27 4.187 -5.525 10.152 1.00 0.00 N ATOM 382 CA CYS A 27 3.208 -4.501 10.448 1.00 0.00 C ATOM 383 C CYS A 27 3.921 -3.152 10.487 1.00 0.00 C ATOM 384 O CYS A 27 5.032 -3.105 11.023 1.00 0.00 O ATOM 385 CB CYS A 27 2.592 -4.815 11.804 1.00 0.00 C ATOM 386 SG CYS A 27 1.187 -3.816 12.304 1.00 0.00 S ATOM 0 H CYS A 27 4.940 -5.545 10.840 1.00 0.00 H new ATOM 0 HA CYS A 27 2.423 -4.469 9.692 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.283 -5.860 11.803 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.369 -4.713 12.562 1.00 0.00 H new ATOM 391 N VAL A 28 3.371 -2.088 9.893 1.00 0.00 N ATOM 392 CA VAL A 28 3.975 -0.754 9.903 1.00 0.00 C ATOM 393 C VAL A 28 2.838 0.277 9.907 1.00 0.00 C ATOM 394 O VAL A 28 1.827 0.040 9.246 1.00 0.00 O ATOM 395 CB VAL A 28 4.886 -0.564 8.667 1.00 0.00 C ATOM 396 CG1 VAL A 28 5.520 0.834 8.660 1.00 0.00 C ATOM 397 CG2 VAL A 28 6.025 -1.596 8.575 1.00 0.00 C ATOM 0 H VAL A 28 2.486 -2.130 9.388 1.00 0.00 H new ATOM 0 HA VAL A 28 4.597 -0.626 10.789 1.00 0.00 H new ATOM 0 HB VAL A 28 4.228 -0.701 7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.155 0.941 7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.735 1.590 8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.121 0.966 9.560 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.622 -1.401 7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.657 -1.520 9.459 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.603 -2.599 8.516 1.00 0.00 H new ATOM 407 N GLY A 29 2.995 1.392 10.633 1.00 0.00 N ATOM 408 CA GLY A 29 2.058 2.497 10.744 1.00 0.00 C ATOM 409 C GLY A 29 2.481 3.706 9.894 1.00 0.00 C ATOM 410 O GLY A 29 3.657 4.080 9.865 1.00 0.00 O ATOM 0 H GLY A 29 3.835 1.547 11.190 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.068 2.164 10.432 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.978 2.800 11.788 1.00 0.00 H new ATOM 414 N ILE A 30 1.515 4.328 9.220 1.00 0.00 N ATOM 415 CA ILE A 30 1.650 5.309 8.150 1.00 0.00 C ATOM 416 C ILE A 30 0.824 6.534 8.554 1.00 0.00 C ATOM 417 O ILE A 30 0.002 6.458 9.469 1.00 0.00 O ATOM 418 CB ILE A 30 1.098 4.695 6.840 1.00 0.00 C ATOM 419 CG1 ILE A 30 1.724 3.327 6.501 1.00 0.00 C ATOM 420 CG2 ILE A 30 1.321 5.605 5.624 1.00 0.00 C ATOM 421 CD1 ILE A 30 1.012 2.175 7.111 1.00 0.00 C ATOM 0 H ILE A 30 0.534 4.141 9.428 1.00 0.00 H new ATOM 0 HA ILE A 30 2.690 5.593 7.990 1.00 0.00 H new ATOM 0 HB ILE A 30 0.032 4.575 7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.737 3.202 5.418 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.761 3.320 6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.915 5.127 4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.817 6.558 5.786 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.389 5.777 5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.510 1.248 6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.021 2.275 8.196 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.019 2.156 6.757 1.00 0.00 H new ATOM 433 N GLY A 31 1.013 7.670 7.889 1.00 0.00 N ATOM 434 CA GLY A 31 0.027 8.734 7.873 1.00 0.00 C ATOM 435 C GLY A 31 0.657 10.072 7.529 1.00 0.00 C ATOM 436 O GLY A 31 1.866 10.174 7.323 1.00 0.00 O ATOM 0 H GLY A 31 1.854 7.874 7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.751 8.500 7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.456 8.798 8.848 1.00 0.00 H new ATOM 440 N ALA A 32 -0.199 11.089 7.521 1.00 0.00 N ATOM 441 CA ALA A 32 0.127 12.504 7.439 1.00 0.00 C ATOM 442 C ALA A 32 0.879 12.852 6.161 1.00 0.00 C ATOM 443 O ALA A 32 2.098 12.740 6.098 1.00 0.00 O ATOM 444 CB ALA A 32 0.870 12.966 8.697 1.00 0.00 C ATOM 0 H ALA A 32 -1.206 10.933 7.575 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.812 13.055 7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.103 14.027 8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.241 12.801 9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.795 12.399 8.802 1.00 0.00 H new ATOM 450 N ASN A 33 0.128 13.281 5.146 1.00 0.00 N ATOM 451 CA ASN A 33 0.616 13.611 3.803 1.00 0.00 C ATOM 452 C ASN A 33 1.360 12.439 3.162 1.00 0.00 C ATOM 453 O ASN A 33 2.174 12.626 2.272 1.00 0.00 O ATOM 454 CB ASN A 33 1.328 14.985 3.722 1.00 0.00 C ATOM 455 CG ASN A 33 2.854 14.970 3.553 1.00 0.00 C ATOM 456 OD1 ASN A 33 3.387 15.454 2.557 1.00 0.00 O ATOM 457 ND2 ASN A 33 3.584 14.458 4.536 1.00 0.00 N ATOM 0 H ASN A 33 -0.879 13.414 5.239 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.258 13.760 3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.900 15.540 2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.093 15.542 4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.602 14.463 4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.127 14.060 5.356 1.00 0.00 H new ATOM 464 N VAL A 34 1.019 11.220 3.588 1.00 0.00 N ATOM 465 CA VAL A 34 1.364 9.985 2.909 1.00 0.00 C ATOM 466 C VAL A 34 0.041 9.313 2.579 1.00 0.00 C ATOM 467 O VAL A 34 -0.613 8.794 3.484 1.00 0.00 O ATOM 468 CB VAL A 34 2.245 9.122 3.827 1.00 0.00 C ATOM 469 CG1 VAL A 34 2.539 7.759 3.184 1.00 0.00 C ATOM 470 CG2 VAL A 34 3.581 9.814 4.128 1.00 0.00 C ATOM 0 H VAL A 34 0.480 11.069 4.440 1.00 0.00 H new ATOM 0 HA VAL A 34 1.939 10.149 1.998 1.00 0.00 H new ATOM 0 HB VAL A 34 1.691 8.981 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.164 7.168 3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.602 7.232 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.060 7.908 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.181 9.179 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.118 9.989 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.394 10.767 4.623 1.00 0.00 H new ATOM 480 N HIS A 35 -0.386 9.374 1.317 1.00 0.00 N ATOM 481 CA HIS A 35 -1.529 8.593 0.860 1.00 0.00 C ATOM 482 C HIS A 35 -1.384 8.141 -0.590 1.00 0.00 C ATOM 483 O HIS A 35 -2.367 8.140 -1.328 1.00 0.00 O ATOM 484 CB HIS A 35 -2.853 9.330 1.116 1.00 0.00 C ATOM 485 CG HIS A 35 -3.145 10.516 0.241 1.00 0.00 C ATOM 486 ND1 HIS A 35 -4.207 10.592 -0.629 1.00 0.00 N ATOM 487 CD2 HIS A 35 -2.507 11.725 0.240 1.00 0.00 C ATOM 488 CE1 HIS A 35 -4.215 11.833 -1.141 1.00 0.00 C ATOM 489 NE2 HIS A 35 -3.189 12.558 -0.655 1.00 0.00 N ATOM 0 H HIS A 35 0.043 9.955 0.597 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.551 7.681 1.457 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.668 8.615 1.003 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.862 9.662 2.154 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.866 9.844 -0.845 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.637 11.989 0.823 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.945 12.200 -1.847 1.00 0.00 H new ATOM 497 N TRP A 36 -0.184 7.766 -1.028 1.00 0.00 N ATOM 498 CA TRP A 36 0.006 7.346 -2.411 1.00 0.00 C ATOM 499 C TRP A 36 0.914 6.135 -2.471 1.00 0.00 C ATOM 500 O TRP A 36 2.090 6.217 -2.150 1.00 0.00 O ATOM 501 CB TRP A 36 0.586 8.499 -3.213 1.00 0.00 C ATOM 502 CG TRP A 36 -0.357 9.647 -3.391 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.705 10.552 -2.452 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.180 9.951 -4.548 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.665 11.400 -2.954 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.964 11.106 -4.268 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.368 9.328 -5.794 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.840 11.656 -5.215 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.250 9.865 -6.751 1.00 0.00 C ATOM 510 CH2 TRP A 36 -2.970 11.039 -6.470 1.00 0.00 C ATOM 0 H TRP A 36 0.659 7.745 -0.454 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.955 7.066 -2.842 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.489 8.856 -2.717 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.886 8.132 -4.195 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.292 10.603 -1.456 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.101 12.152 -2.421 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.826 8.422 -6.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.408 12.544 -4.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.374 9.373 -7.704 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.622 11.466 -7.218 1.00 0.00 H new ATOM 521 N MET A 37 0.365 5.012 -2.900 1.00 0.00 N ATOM 522 CA MET A 37 1.133 3.823 -3.214 1.00 0.00 C ATOM 523 C MET A 37 1.638 3.984 -4.639 1.00 0.00 C ATOM 524 O MET A 37 0.927 4.531 -5.478 1.00 0.00 O ATOM 525 CB MET A 37 0.253 2.583 -3.031 1.00 0.00 C ATOM 526 CG MET A 37 0.883 1.273 -3.520 1.00 0.00 C ATOM 527 SD MET A 37 0.451 -0.183 -2.536 1.00 0.00 S ATOM 528 CE MET A 37 1.457 0.137 -1.068 1.00 0.00 C ATOM 0 H MET A 37 -0.639 4.900 -3.041 1.00 0.00 H new ATOM 0 HA MET A 37 1.987 3.694 -2.549 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.009 2.480 -1.974 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.686 2.739 -3.562 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.578 1.101 -4.552 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.967 1.385 -3.523 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.412 -0.724 -0.401 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.491 0.312 -1.366 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.075 1.017 -0.550 1.00 0.00 H new ATOM 538 N VAL A 38 2.854 3.538 -4.925 1.00 0.00 N ATOM 539 CA VAL A 38 3.435 3.641 -6.250 1.00 0.00 C ATOM 540 C VAL A 38 4.145 2.313 -6.504 1.00 0.00 C ATOM 541 O VAL A 38 4.827 1.795 -5.617 1.00 0.00 O ATOM 542 CB VAL A 38 4.357 4.877 -6.339 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.546 5.288 -7.802 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.787 6.108 -5.612 1.00 0.00 C ATOM 0 H VAL A 38 3.465 3.093 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 38 2.689 3.799 -7.028 1.00 0.00 H new ATOM 0 HB VAL A 38 5.293 4.580 -5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.198 6.160 -7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.997 4.465 -8.356 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.578 5.532 -8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.481 6.943 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.828 6.379 -6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.648 5.875 -4.556 1.00 0.00 H new ATOM 554 N THR A 39 3.905 1.692 -7.655 1.00 0.00 N ATOM 555 CA THR A 39 4.473 0.394 -7.971 1.00 0.00 C ATOM 556 C THR A 39 4.747 0.329 -9.468 1.00 0.00 C ATOM 557 O THR A 39 4.020 0.925 -10.267 1.00 0.00 O ATOM 558 CB THR A 39 3.545 -0.721 -7.455 1.00 0.00 C ATOM 559 OG1 THR A 39 3.878 -1.984 -7.991 1.00 0.00 O ATOM 560 CG2 THR A 39 2.076 -0.406 -7.703 1.00 0.00 C ATOM 0 H THR A 39 3.312 2.077 -8.391 1.00 0.00 H new ATOM 0 HA THR A 39 5.428 0.245 -7.467 1.00 0.00 H new ATOM 0 HB THR A 39 3.700 -0.766 -6.377 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.827 -2.168 -7.829 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.460 -1.221 -7.322 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.811 0.519 -7.191 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.904 -0.291 -8.773 1.00 0.00 H new ATOM 568 N GLY A 40 5.805 -0.377 -9.864 1.00 0.00 N ATOM 569 CA GLY A 40 6.246 -0.411 -11.244 1.00 0.00 C ATOM 570 C GLY A 40 7.755 -0.396 -11.322 1.00 0.00 C ATOM 571 O GLY A 40 8.435 -1.189 -10.672 1.00 0.00 O ATOM 0 H GLY A 40 6.376 -0.939 -9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.860 -1.306 -11.732 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.840 0.446 -11.782 1.00 0.00 H new ATOM 626 N LYS A 46 3.587 -8.009 -12.373 1.00 0.00 N ATOM 627 CA LYS A 46 2.289 -8.410 -11.884 1.00 0.00 C ATOM 628 C LYS A 46 1.790 -7.418 -10.842 1.00 0.00 C ATOM 629 O LYS A 46 2.557 -6.918 -10.022 1.00 0.00 O ATOM 630 CB LYS A 46 2.299 -9.823 -11.331 1.00 0.00 C ATOM 631 CG LYS A 46 2.829 -10.814 -12.355 1.00 0.00 C ATOM 632 CD LYS A 46 2.686 -12.247 -11.839 1.00 0.00 C ATOM 633 CE LYS A 46 3.212 -13.265 -12.859 1.00 0.00 C ATOM 634 NZ LYS A 46 2.627 -13.088 -14.202 1.00 0.00 N ATOM 0 HA LYS A 46 1.601 -8.408 -12.729 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.916 -9.860 -10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.289 -10.107 -11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.284 -10.703 -13.293 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.877 -10.601 -12.568 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.232 -12.354 -10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.638 -12.455 -11.623 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.296 -13.177 -12.926 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.995 -14.273 -12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.856 -13.913 -14.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.594 -12.996 -14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.018 -12.230 -14.641 1.00 0.00 H new ATOM 648 N GLN A 47 0.501 -7.096 -10.896 1.00 0.00 N ATOM 649 CA GLN A 47 -0.057 -6.177 -9.933 1.00 0.00 C ATOM 650 C GLN A 47 0.018 -6.773 -8.533 1.00 0.00 C ATOM 651 O GLN A 47 -0.196 -7.974 -8.357 1.00 0.00 O ATOM 652 CB GLN A 47 -1.473 -5.770 -10.361 1.00 0.00 C ATOM 653 CG GLN A 47 -2.566 -6.828 -10.439 1.00 0.00 C ATOM 654 CD GLN A 47 -3.826 -6.188 -11.028 1.00 0.00 C ATOM 655 OE1 GLN A 47 -3.980 -4.967 -11.025 1.00 0.00 O ATOM 656 NE2 GLN A 47 -4.741 -6.976 -11.569 1.00 0.00 N ATOM 0 H GLN A 47 -0.159 -7.454 -11.586 1.00 0.00 H new ATOM 0 HA GLN A 47 0.529 -5.259 -9.900 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.814 -4.999 -9.671 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.396 -5.306 -11.344 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.240 -7.663 -11.060 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.774 -7.230 -9.448 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.608 -7.987 -11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.579 -6.572 -11.987 1.00 0.00 H new ATOM 665 N GLY A 48 0.275 -5.928 -7.542 1.00 0.00 N ATOM 666 CA GLY A 48 0.417 -6.334 -6.158 1.00 0.00 C ATOM 667 C GLY A 48 -0.842 -5.907 -5.430 1.00 0.00 C ATOM 668 O GLY A 48 -1.485 -4.940 -5.841 1.00 0.00 O ATOM 0 H GLY A 48 0.392 -4.925 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.555 -7.413 -6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.296 -5.870 -5.710 1.00 0.00 H new ATOM 672 N CYS A 49 -1.217 -6.610 -4.366 1.00 0.00 N ATOM 673 CA CYS A 49 -2.345 -6.211 -3.552 1.00 0.00 C ATOM 674 C CYS A 49 -1.889 -6.151 -2.120 1.00 0.00 C ATOM 675 O CYS A 49 -0.927 -6.818 -1.742 1.00 0.00 O ATOM 676 CB CYS A 49 -3.498 -7.202 -3.680 1.00 0.00 C ATOM 677 SG CYS A 49 -4.251 -7.434 -5.309 1.00 0.00 S ATOM 0 H CYS A 49 -0.750 -7.461 -4.052 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.704 -5.238 -3.888 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.142 -8.173 -3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.283 -6.889 -2.992 1.00 0.00 H new ATOM 682 N ALA A 50 -2.575 -5.338 -1.332 1.00 0.00 N ATOM 683 CA ALA A 50 -2.231 -5.044 0.037 1.00 0.00 C ATOM 684 C ALA A 50 -3.496 -4.906 0.844 1.00 0.00 C ATOM 685 O ALA A 50 -4.411 -4.196 0.442 1.00 0.00 O ATOM 686 CB ALA A 50 -1.407 -3.753 0.112 1.00 0.00 C ATOM 0 H ALA A 50 -3.415 -4.851 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.629 -5.857 0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.154 -3.543 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.491 -3.872 -0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.989 -2.926 -0.294 1.00 0.00 H new ATOM 692 N THR A 51 -3.522 -5.545 2.006 1.00 0.00 N ATOM 693 CA THR A 51 -4.583 -5.297 2.949 1.00 0.00 C ATOM 694 C THR A 51 -4.145 -4.055 3.703 1.00 0.00 C ATOM 695 O THR A 51 -3.070 -4.029 4.304 1.00 0.00 O ATOM 696 CB THR A 51 -4.800 -6.525 3.836 1.00 0.00 C ATOM 697 OG1 THR A 51 -5.125 -7.620 3.000 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.962 -6.314 4.806 1.00 0.00 C ATOM 0 H THR A 51 -2.827 -6.228 2.308 1.00 0.00 H new ATOM 0 HA THR A 51 -5.554 -5.125 2.485 1.00 0.00 H new ATOM 0 HB THR A 51 -3.891 -6.704 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.267 -8.420 3.549 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.089 -7.205 5.421 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.750 -5.458 5.447 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.877 -6.128 4.243 1.00 0.00 H new ATOM 706 N ILE A 52 -4.940 -3.001 3.576 1.00 0.00 N ATOM 707 CA ILE A 52 -4.771 -1.769 4.304 1.00 0.00 C ATOM 708 C ILE A 52 -5.686 -1.886 5.531 1.00 0.00 C ATOM 709 O ILE A 52 -6.729 -2.541 5.452 1.00 0.00 O ATOM 710 CB ILE A 52 -5.113 -0.586 3.377 1.00 0.00 C ATOM 711 CG1 ILE A 52 -4.462 -0.736 1.986 1.00 0.00 C ATOM 712 CG2 ILE A 52 -4.646 0.714 4.028 1.00 0.00 C ATOM 713 CD1 ILE A 52 -4.584 0.523 1.118 1.00 0.00 C ATOM 0 H ILE A 52 -5.740 -2.988 2.944 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.750 -1.590 4.640 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.193 -0.571 3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.407 -0.981 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.925 -1.574 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.886 1.554 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.150 0.843 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.568 0.674 4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.105 0.348 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.637 0.757 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.096 1.359 1.619 1.00 0.00 H new ATOM 725 N TRP A 53 -5.286 -1.305 6.664 1.00 0.00 N ATOM 726 CA TRP A 53 -6.005 -1.336 7.931 1.00 0.00 C ATOM 727 C TRP A 53 -6.270 0.082 8.435 1.00 0.00 C ATOM 728 O TRP A 53 -5.454 0.986 8.233 1.00 0.00 O ATOM 729 CB TRP A 53 -5.199 -2.103 8.982 1.00 0.00 C ATOM 730 CG TRP A 53 -5.335 -3.594 8.981 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.276 -4.290 9.657 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.519 -4.591 8.298 1.00 0.00 C ATOM 733 NE1 TRP A 53 -6.106 -5.640 9.435 1.00 0.00 N ATOM 734 CE2 TRP A 53 -5.042 -5.885 8.594 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.390 -4.532 7.455 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.489 -7.058 8.063 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -2.826 -5.704 6.918 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.386 -6.962 7.202 1.00 0.00 C ATOM 0 H TRP A 53 -4.414 -0.779 6.722 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.957 -1.840 7.766 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.145 -1.858 8.848 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.489 -1.736 9.967 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.045 -3.854 10.278 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.694 -6.367 9.842 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.952 -3.574 7.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.906 -8.022 8.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.956 -5.637 6.282 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.967 -7.853 6.758 1.00 0.00 H new ATOM 749 N GLU A 54 -7.393 0.244 9.136 1.00 0.00 N ATOM 750 CA GLU A 54 -7.789 1.467 9.810 1.00 0.00 C ATOM 751 C GLU A 54 -6.932 1.617 11.072 1.00 0.00 C ATOM 752 O GLU A 54 -6.394 2.686 11.358 1.00 0.00 O ATOM 753 CB GLU A 54 -9.292 1.339 10.117 1.00 0.00 C ATOM 754 CG GLU A 54 -10.012 2.616 10.570 1.00 0.00 C ATOM 755 CD GLU A 54 -11.513 2.370 10.663 1.00 0.00 C ATOM 756 OE1 GLU A 54 -11.891 1.472 11.442 1.00 0.00 O ATOM 757 OE2 GLU A 54 -12.277 2.999 9.896 1.00 0.00 O ATOM 0 H GLU A 54 -8.074 -0.507 9.250 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.633 2.361 9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.792 0.965 9.223 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.418 0.583 10.892 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.628 2.934 11.539 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.812 3.424 9.866 1.00 0.00 H new ATOM 764 N GLY A 55 -6.796 0.527 11.833 1.00 0.00 N ATOM 765 CA GLY A 55 -6.131 0.548 13.121 1.00 0.00 C ATOM 766 C GLY A 55 -4.694 1.042 13.025 1.00 0.00 C ATOM 767 O GLY A 55 -3.970 0.740 12.077 1.00 0.00 O ATOM 0 H GLY A 55 -7.148 -0.392 11.565 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.688 1.190 13.804 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.140 -0.455 13.548 1.00 0.00 H new ATOM 771 N SER A 56 -4.269 1.766 14.058 1.00 0.00 N ATOM 772 CA SER A 56 -2.870 2.063 14.280 1.00 0.00 C ATOM 773 C SER A 56 -2.173 0.741 14.600 1.00 0.00 C ATOM 774 O SER A 56 -2.408 0.190 15.670 1.00 0.00 O ATOM 775 CB SER A 56 -2.753 3.048 15.453 1.00 0.00 C ATOM 776 OG SER A 56 -3.572 4.191 15.224 1.00 0.00 O ATOM 0 H SER A 56 -4.893 2.161 14.762 1.00 0.00 H new ATOM 0 HA SER A 56 -2.407 2.521 13.406 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.052 2.558 16.379 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.715 3.355 15.576 1.00 0.00 H new ATOM 0 HG SER A 56 -3.773 4.626 16.079 1.00 0.00 H new ATOM 782 N GLY A 57 -1.359 0.234 13.680 1.00 0.00 N ATOM 783 CA GLY A 57 -0.627 -0.993 13.857 1.00 0.00 C ATOM 784 C GLY A 57 -1.446 -2.191 13.399 1.00 0.00 C ATOM 785 O GLY A 57 -1.561 -3.179 14.116 1.00 0.00 O ATOM 0 H GLY A 57 -1.194 0.680 12.778 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.305 -0.949 13.293 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.359 -1.112 14.907 1.00 0.00 H new ATOM 789 N CYS A 58 -1.954 -2.110 12.166 1.00 0.00 N ATOM 790 CA CYS A 58 -2.513 -3.215 11.386 1.00 0.00 C ATOM 791 C CYS A 58 -3.488 -4.083 12.179 1.00 0.00 C ATOM 792 O CYS A 58 -3.495 -5.308 12.067 1.00 0.00 O ATOM 793 CB CYS A 58 -1.428 -4.050 10.689 1.00 0.00 C ATOM 794 SG CYS A 58 -0.427 -5.056 11.803 1.00 0.00 S ATOM 0 H CYS A 58 -1.988 -1.225 11.660 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.104 -2.746 10.599 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.904 -4.704 9.958 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.771 -3.379 10.136 1.00 0.00 H new ATOM 799 N VAL A 59 -4.373 -3.436 12.932 1.00 0.00 N ATOM 800 CA VAL A 59 -5.484 -4.052 13.622 1.00 0.00 C ATOM 801 C VAL A 59 -6.758 -3.352 13.152 1.00 0.00 C ATOM 802 O VAL A 59 -6.697 -2.400 12.373 1.00 0.00 O ATOM 803 CB VAL A 59 -5.267 -3.955 15.141 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.218 -4.974 15.602 1.00 0.00 C ATOM 805 CG2 VAL A 59 -4.882 -2.548 15.624 1.00 0.00 C ATOM 0 H VAL A 59 -4.327 -2.428 13.079 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.569 -5.115 13.394 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.232 -4.184 15.594 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.078 -4.890 16.680 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.557 -5.981 15.357 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.272 -4.777 15.097 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.746 -2.559 16.705 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.953 -2.240 15.144 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.674 -1.845 15.365 1.00 0.00 H new ATOM 815 N GLY A 60 -7.915 -3.815 13.611 1.00 0.00 N ATOM 816 CA GLY A 60 -9.157 -3.129 13.322 1.00 0.00 C ATOM 817 C GLY A 60 -9.674 -3.500 11.944 1.00 0.00 C ATOM 818 O GLY A 60 -9.545 -4.635 11.494 1.00 0.00 O ATOM 0 H GLY A 60 -8.013 -4.656 14.180 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.902 -3.385 14.075 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.003 -2.051 13.379 1.00 0.00 H new ATOM 822 N ARG A 61 -10.301 -2.520 11.317 1.00 0.00 N ATOM 823 CA ARG A 61 -11.050 -2.643 10.085 1.00 0.00 C ATOM 824 C ARG A 61 -10.066 -2.652 8.948 1.00 0.00 C ATOM 825 O ARG A 61 -9.014 -2.026 9.064 1.00 0.00 O ATOM 826 CB ARG A 61 -11.979 -1.433 10.051 1.00 0.00 C ATOM 827 CG ARG A 61 -12.970 -1.329 8.893 1.00 0.00 C ATOM 828 CD ARG A 61 -13.471 0.115 8.992 1.00 0.00 C ATOM 829 NE ARG A 61 -14.539 0.437 8.053 1.00 0.00 N ATOM 830 CZ ARG A 61 -15.134 1.638 8.056 1.00 0.00 C ATOM 831 NH1 ARG A 61 -14.721 2.594 8.892 1.00 0.00 N ATOM 832 NH2 ARG A 61 -16.153 1.865 7.222 1.00 0.00 N ATOM 0 H ARG A 61 -10.299 -1.565 11.676 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.640 -3.556 10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.548 -1.421 10.981 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.360 -0.536 10.044 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.491 -1.524 7.934 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.785 -2.046 8.994 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.826 0.297 10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.634 0.792 8.821 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.840 -0.267 7.379 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.949 2.412 9.533 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.178 3.506 8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.470 1.128 6.592 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.614 2.775 7.215 1.00 0.00 H new ATOM 846 N SER A 62 -10.384 -3.375 7.879 1.00 0.00 N ATOM 847 CA SER A 62 -9.448 -3.571 6.806 1.00 0.00 C ATOM 848 C SER A 62 -10.114 -3.472 5.444 1.00 0.00 C ATOM 849 O SER A 62 -11.340 -3.438 5.340 1.00 0.00 O ATOM 850 CB SER A 62 -8.724 -4.899 7.004 1.00 0.00 C ATOM 851 OG SER A 62 -9.646 -5.922 7.332 1.00 0.00 O ATOM 0 H SER A 62 -11.287 -3.830 7.744 1.00 0.00 H new ATOM 0 HA SER A 62 -8.711 -2.769 6.830 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.185 -5.165 6.095 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.983 -4.801 7.797 1.00 0.00 H new ATOM 0 HG SER A 62 -9.166 -6.768 7.454 1.00 0.00 H new ATOM 857 N THR A 63 -9.288 -3.371 4.407 1.00 0.00 N ATOM 858 CA THR A 63 -9.722 -3.233 3.031 1.00 0.00 C ATOM 859 C THR A 63 -8.548 -3.635 2.137 1.00 0.00 C ATOM 860 O THR A 63 -7.481 -3.024 2.214 1.00 0.00 O ATOM 861 CB THR A 63 -10.246 -1.800 2.795 1.00 0.00 C ATOM 862 OG1 THR A 63 -10.455 -1.516 1.426 1.00 0.00 O ATOM 863 CG2 THR A 63 -9.359 -0.700 3.394 1.00 0.00 C ATOM 0 H THR A 63 -8.273 -3.384 4.509 1.00 0.00 H new ATOM 0 HA THR A 63 -10.558 -3.888 2.787 1.00 0.00 H new ATOM 0 HB THR A 63 -11.200 -1.787 3.322 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.788 -0.599 1.329 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.797 0.276 3.184 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.284 -0.840 4.472 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.364 -0.754 2.952 1.00 0.00 H new ATOM 871 N THR A 64 -8.714 -4.669 1.315 1.00 0.00 N ATOM 872 CA THR A 64 -7.731 -5.031 0.309 1.00 0.00 C ATOM 873 C THR A 64 -7.766 -3.975 -0.798 1.00 0.00 C ATOM 874 O THR A 64 -8.802 -3.771 -1.438 1.00 0.00 O ATOM 875 CB THR A 64 -7.933 -6.483 -0.162 1.00 0.00 C ATOM 876 OG1 THR A 64 -6.806 -6.913 -0.903 1.00 0.00 O ATOM 877 CG2 THR A 64 -9.190 -6.681 -1.006 1.00 0.00 C ATOM 0 H THR A 64 -9.534 -5.276 1.331 1.00 0.00 H new ATOM 0 HA THR A 64 -6.721 -5.027 0.718 1.00 0.00 H new ATOM 0 HB THR A 64 -8.055 -7.081 0.741 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.942 -7.838 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.268 -7.727 -1.303 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.068 -6.403 -0.422 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.133 -6.055 -1.896 1.00 0.00 H new ATOM 885 N MET A 65 -6.662 -3.260 -1.002 1.00 0.00 N ATOM 886 CA MET A 65 -6.462 -2.427 -2.182 1.00 0.00 C ATOM 887 C MET A 65 -5.454 -3.131 -3.092 1.00 0.00 C ATOM 888 O MET A 65 -4.453 -3.658 -2.609 1.00 0.00 O ATOM 889 CB MET A 65 -5.962 -1.036 -1.777 1.00 0.00 C ATOM 890 CG MET A 65 -6.255 -0.008 -2.882 1.00 0.00 C ATOM 891 SD MET A 65 -5.225 1.479 -2.866 1.00 0.00 S ATOM 892 CE MET A 65 -3.708 0.784 -3.554 1.00 0.00 C ATOM 0 H MET A 65 -5.878 -3.243 -0.349 1.00 0.00 H new ATOM 0 HA MET A 65 -7.404 -2.289 -2.713 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.444 -0.727 -0.849 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.890 -1.072 -1.583 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.138 -0.498 -3.849 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.299 0.295 -2.803 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.972 1.577 -3.687 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.311 0.031 -2.873 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.923 0.324 -4.518 1.00 0.00 H new ATOM 902 N CYS A 66 -5.701 -3.135 -4.398 1.00 0.00 N ATOM 903 CA CYS A 66 -4.819 -3.717 -5.403 1.00 0.00 C ATOM 904 C CYS A 66 -4.264 -2.599 -6.273 1.00 0.00 C ATOM 905 O CYS A 66 -4.905 -1.559 -6.424 1.00 0.00 O ATOM 906 CB CYS A 66 -5.568 -4.756 -6.233 1.00 0.00 C ATOM 907 SG CYS A 66 -5.998 -6.282 -5.360 1.00 0.00 S ATOM 0 H CYS A 66 -6.544 -2.722 -4.797 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.989 -4.232 -4.919 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.484 -4.303 -6.611 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.959 -5.012 -7.100 1.00 0.00 H new ATOM 912 N CYS A 67 -3.052 -2.764 -6.803 1.00 0.00 N ATOM 913 CA CYS A 67 -2.369 -1.730 -7.561 1.00 0.00 C ATOM 914 C CYS A 67 -1.377 -2.312 -8.576 1.00 0.00 C ATOM 915 O CYS A 67 -0.505 -3.090 -8.180 1.00 0.00 O ATOM 916 CB CYS A 67 -1.585 -0.865 -6.587 1.00 0.00 C ATOM 917 SG CYS A 67 -0.934 0.591 -7.421 1.00 0.00 S ATOM 0 H CYS A 67 -2.517 -3.628 -6.714 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.122 -1.161 -8.106 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.229 -0.561 -5.762 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.766 -1.442 -6.157 1.00 0.00 H new ATOM 922 N PRO A 68 -1.499 -1.992 -9.875 1.00 0.00 N ATOM 923 CA PRO A 68 -0.627 -2.563 -10.885 1.00 0.00 C ATOM 924 C PRO A 68 0.808 -2.083 -10.903 1.00 0.00 C ATOM 925 O PRO A 68 1.117 -0.924 -10.655 1.00 0.00 O ATOM 926 CB PRO A 68 -1.289 -2.399 -12.243 1.00 0.00 C ATOM 927 CG PRO A 68 -2.386 -1.372 -11.995 1.00 0.00 C ATOM 928 CD PRO A 68 -2.683 -1.425 -10.494 1.00 0.00 C ATOM 0 HA PRO A 68 -0.514 -3.613 -10.616 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.579 -2.052 -12.994 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.699 -3.342 -12.604 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.062 -0.375 -12.293 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.277 -1.605 -12.577 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.891 -0.430 -10.101 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.562 -2.037 -10.291 1.00 0.00 H new ATOM 936 N ALA A 69 1.679 -2.993 -11.323 1.00 0.00 N ATOM 937 CA ALA A 69 3.075 -2.687 -11.513 1.00 0.00 C ATOM 938 C ALA A 69 3.141 -1.848 -12.781 1.00 0.00 C ATOM 939 O ALA A 69 2.902 -2.378 -13.866 1.00 0.00 O ATOM 940 CB ALA A 69 3.877 -3.985 -11.643 1.00 0.00 C ATOM 0 H ALA A 69 1.430 -3.958 -11.538 1.00 0.00 H new ATOM 0 HA ALA A 69 3.504 -2.143 -10.672 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.931 -3.748 -11.786 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.758 -4.578 -10.736 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.513 -4.553 -12.499 1.00 0.00 H new ATOM 946 N ASN A 70 3.420 -0.556 -12.617 1.00 0.00 N ATOM 947 CA ASN A 70 3.446 0.534 -13.592 1.00 0.00 C ATOM 948 C ASN A 70 2.237 1.440 -13.362 1.00 0.00 C ATOM 949 O ASN A 70 1.607 1.887 -14.319 1.00 0.00 O ATOM 950 CB ASN A 70 3.569 0.117 -15.073 1.00 0.00 C ATOM 951 CG ASN A 70 4.921 -0.479 -15.447 1.00 0.00 C ATOM 952 OD1 ASN A 70 5.847 0.249 -15.789 1.00 0.00 O ATOM 953 ND2 ASN A 70 5.063 -1.798 -15.443 1.00 0.00 N ATOM 0 H ASN A 70 3.661 -0.208 -11.689 1.00 0.00 H new ATOM 0 HA ASN A 70 4.376 1.073 -13.410 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.789 -0.610 -15.299 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.383 0.989 -15.700 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.949 -2.216 -15.726 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.286 -2.394 -15.157 1.00 0.00 H new ATOM 960 N THR A 71 1.924 1.779 -12.110 1.00 0.00 N ATOM 961 CA THR A 71 0.996 2.856 -11.820 1.00 0.00 C ATOM 962 C THR A 71 1.336 3.509 -10.486 1.00 0.00 C ATOM 963 O THR A 71 1.924 2.910 -9.583 1.00 0.00 O ATOM 964 CB THR A 71 -0.469 2.377 -11.889 1.00 0.00 C ATOM 965 OG1 THR A 71 -1.368 3.438 -12.179 1.00 0.00 O ATOM 966 CG2 THR A 71 -0.969 1.759 -10.589 1.00 0.00 C ATOM 0 H THR A 71 2.304 1.318 -11.284 1.00 0.00 H new ATOM 0 HA THR A 71 1.102 3.619 -12.591 1.00 0.00 H new ATOM 0 HB THR A 71 -0.456 1.631 -12.683 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.492 3.990 -11.379 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.006 1.445 -10.711 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.355 0.894 -10.337 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.904 2.495 -9.788 1.00 0.00 H new ATOM 974 N CYS A 72 0.882 4.749 -10.382 1.00 0.00 N ATOM 975 CA CYS A 72 0.695 5.477 -9.145 1.00 0.00 C ATOM 976 C CYS A 72 -0.755 5.253 -8.697 1.00 0.00 C ATOM 977 O CYS A 72 -1.655 5.198 -9.538 1.00 0.00 O ATOM 978 CB CYS A 72 0.998 6.940 -9.439 1.00 0.00 C ATOM 979 SG CYS A 72 0.221 8.092 -8.323 1.00 0.00 S ATOM 0 H CYS A 72 0.622 5.298 -11.201 1.00 0.00 H new ATOM 0 HA CYS A 72 1.352 5.145 -8.341 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.077 7.089 -9.402 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.679 7.167 -10.456 1.00 0.00 H new ATOM 984 N CYS A 73 -0.973 5.030 -7.401 1.00 0.00 N ATOM 985 CA CYS A 73 -2.230 4.599 -6.792 1.00 0.00 C ATOM 986 C CYS A 73 -2.518 5.497 -5.603 1.00 0.00 C ATOM 987 O CYS A 73 -1.977 5.284 -4.518 1.00 0.00 O ATOM 988 CB CYS A 73 -2.148 3.143 -6.318 1.00 0.00 C ATOM 989 SG CYS A 73 -2.547 1.908 -7.569 1.00 0.00 S ATOM 0 H CYS A 73 -0.234 5.153 -6.709 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.025 4.668 -7.535 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.139 2.953 -5.951 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.824 3.014 -5.473 1.00 0.00 H new ATOM 994 N ASN A 74 -3.382 6.493 -5.783 1.00 0.00 N ATOM 995 CA ASN A 74 -3.901 7.256 -4.656 1.00 0.00 C ATOM 996 C ASN A 74 -4.567 6.318 -3.660 1.00 0.00 C ATOM 997 O ASN A 74 -5.532 5.652 -4.021 1.00 0.00 O ATOM 998 CB ASN A 74 -4.962 8.256 -5.116 1.00 0.00 C ATOM 999 CG ASN A 74 -5.468 9.030 -3.906 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -4.906 10.054 -3.538 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -6.520 8.567 -3.248 1.00 0.00 N ATOM 0 H ASN A 74 -3.735 6.788 -6.694 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.062 7.782 -4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.541 8.941 -5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.787 7.734 -5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.868 9.064 -2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.982 7.713 -3.561 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.111 6.274 -2.416 1.00 0.00 N ATOM 1009 CA ILE A 75 -4.844 5.690 -1.320 1.00 0.00 C ATOM 1010 C ILE A 75 -5.912 6.689 -0.864 1.00 0.00 C ATOM 1011 O ILE A 75 -5.618 7.855 -0.603 1.00 0.00 O ATOM 1012 CB ILE A 75 -3.833 5.314 -0.224 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -3.323 3.892 -0.449 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -4.402 5.367 1.187 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.545 3.735 -1.744 1.00 0.00 C ATOM 0 H ILE A 75 -3.204 6.652 -2.143 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.370 4.778 -1.601 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.039 6.056 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.686 3.604 0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.170 3.206 -0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.628 5.089 1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.748 6.378 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.238 4.672 1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.210 2.703 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.186 3.992 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.679 4.397 -1.731 1.00 0.00 H new ATOM 1027 N ASN A 76 -7.154 6.215 -0.769 1.00 0.00 N ATOM 1028 CA ASN A 76 -8.285 6.835 -0.081 1.00 0.00 C ATOM 1029 C ASN A 76 -9.418 5.832 -0.227 1.00 0.00 C ATOM 1030 O ASN A 76 -10.015 5.728 -1.304 1.00 0.00 O ATOM 1031 CB ASN A 76 -8.719 8.204 -0.651 1.00 0.00 C ATOM 1032 CG ASN A 76 -8.002 9.401 -0.027 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -7.634 9.377 1.143 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -7.814 10.482 -0.779 1.00 0.00 N ATOM 0 H ASN A 76 -7.414 5.328 -1.200 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.007 7.053 0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.542 8.209 -1.726 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.793 8.322 -0.504 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -7.359 11.305 -0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.125 10.488 -1.750 1.00 0.00 H new ATOM 1041 N THR A 77 -9.649 5.028 0.806 1.00 0.00 N ATOM 1042 CA THR A 77 -10.762 4.101 0.892 1.00 0.00 C ATOM 1043 C THR A 77 -11.960 4.820 1.523 1.00 0.00 C ATOM 1044 O THR A 77 -11.901 6.019 1.788 1.00 0.00 O ATOM 1045 CB THR A 77 -10.285 2.874 1.690 1.00 0.00 C ATOM 1046 OG1 THR A 77 -9.471 3.270 2.776 1.00 0.00 O ATOM 1047 CG2 THR A 77 -9.397 2.002 0.798 1.00 0.00 C ATOM 0 H THR A 77 -9.046 5.006 1.629 1.00 0.00 H new ATOM 0 HA THR A 77 -11.094 3.752 -0.086 1.00 0.00 H new ATOM 0 HB THR A 77 -11.171 2.342 2.038 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.940 3.948 3.306 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.058 1.132 1.361 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.966 1.672 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.534 2.580 0.468 1.00 0.00 H new ATOM 1055 N GLY A 78 -13.050 4.096 1.788 1.00 0.00 N ATOM 1056 CA GLY A 78 -14.240 4.667 2.410 1.00 0.00 C ATOM 1057 C GLY A 78 -14.019 5.094 3.864 1.00 0.00 C ATOM 1058 O GLY A 78 -14.936 5.602 4.504 1.00 0.00 O ATOM 0 H GLY A 78 -13.130 3.101 1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.565 5.531 1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -15.047 3.936 2.372 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.839 4.835 4.423 1.00 0.00 N ATOM 1063 CA PHE A 79 -12.412 5.266 5.728 1.00 0.00 C ATOM 1064 C PHE A 79 -10.943 5.597 5.629 1.00 0.00 C ATOM 1065 O PHE A 79 -10.272 5.159 4.693 1.00 0.00 O ATOM 1066 CB PHE A 79 -12.649 4.157 6.748 1.00 0.00 C ATOM 1067 CG PHE A 79 -12.302 2.746 6.300 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -13.190 2.015 5.488 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -11.106 2.147 6.739 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -12.921 0.671 5.178 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -10.840 0.802 6.433 1.00 0.00 C ATOM 1072 CZ PHE A 79 -11.766 0.056 5.686 1.00 0.00 C ATOM 0 H PHE A 79 -12.125 4.288 3.941 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.976 6.139 6.056 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.069 4.385 7.642 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -13.700 4.176 7.036 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -14.081 2.489 5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -10.393 2.722 7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -13.601 0.113 4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.924 0.342 6.772 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.589 -0.993 5.502 1.00 0.00 H new ATOM 1082 N TYR A 80 -10.482 6.402 6.580 1.00 0.00 N ATOM 1083 CA TYR A 80 -9.094 6.782 6.660 1.00 0.00 C ATOM 1084 C TYR A 80 -8.284 5.550 7.066 1.00 0.00 C ATOM 1085 O TYR A 80 -8.759 4.748 7.863 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.924 7.930 7.661 1.00 0.00 C ATOM 1087 CG TYR A 80 -7.474 8.282 7.919 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.705 8.844 6.885 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -6.842 7.814 9.087 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -5.305 8.870 6.986 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -5.443 7.863 9.196 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.674 8.346 8.126 1.00 0.00 C ATOM 1093 OH TYR A 80 -3.351 8.039 8.071 1.00 0.00 O ATOM 0 H TYR A 80 -11.067 6.804 7.312 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.734 7.140 5.696 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.445 8.811 7.286 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.399 7.656 8.603 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.191 9.256 6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.433 7.417 9.899 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.713 9.293 6.187 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.959 7.529 10.102 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.241 7.128 7.727 1.00 0.00 H new ATOM 1103 N ILE A 81 -7.086 5.389 6.509 1.00 0.00 N ATOM 1104 CA ILE A 81 -6.278 4.199 6.653 1.00 0.00 C ATOM 1105 C ILE A 81 -4.985 4.554 7.381 1.00 0.00 C ATOM 1106 O ILE A 81 -4.434 5.632 7.147 1.00 0.00 O ATOM 1107 CB ILE A 81 -5.990 3.577 5.291 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.714 4.671 4.259 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -7.149 2.636 4.909 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.985 5.133 3.557 1.00 0.00 C ATOM 0 H ILE A 81 -6.647 6.106 5.932 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.822 3.460 7.241 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.087 2.968 5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.243 5.522 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.006 4.299 3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.948 2.188 3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.241 1.850 5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.078 3.204 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.739 5.910 2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.443 4.289 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.683 5.531 4.293 1.00 0.00 H new ATOM 1122 N ARG A 82 -4.484 3.674 8.248 1.00 0.00 N ATOM 1123 CA ARG A 82 -3.283 3.966 9.025 1.00 0.00 C ATOM 1124 C ARG A 82 -2.205 2.883 8.977 1.00 0.00 C ATOM 1125 O ARG A 82 -1.059 3.194 9.287 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.649 4.352 10.464 1.00 0.00 C ATOM 1127 CG ARG A 82 -2.610 5.352 10.984 1.00 0.00 C ATOM 1128 CD ARG A 82 -2.821 5.709 12.452 1.00 0.00 C ATOM 1129 NE ARG A 82 -1.743 6.601 12.907 1.00 0.00 N ATOM 1130 CZ ARG A 82 -1.470 6.963 14.166 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -2.224 6.530 15.178 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -0.425 7.758 14.381 1.00 0.00 N ATOM 0 H ARG A 82 -4.891 2.756 8.428 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.819 4.823 8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.646 4.792 10.495 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.672 3.466 11.099 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.612 4.933 10.856 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.653 6.261 10.383 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.788 6.196 12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.836 4.803 13.058 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.137 6.986 12.183 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.018 5.916 14.996 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.006 6.813 16.134 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.144 8.075 13.596 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.193 8.050 15.330 1.00 0.00 H new ATOM 1146 N SER A 83 -2.511 1.643 8.605 1.00 0.00 N ATOM 1147 CA SER A 83 -1.470 0.629 8.408 1.00 0.00 C ATOM 1148 C SER A 83 -1.719 -0.123 7.104 1.00 0.00 C ATOM 1149 O SER A 83 -2.800 0.005 6.537 1.00 0.00 O ATOM 1150 CB SER A 83 -1.411 -0.317 9.604 1.00 0.00 C ATOM 1151 OG SER A 83 -1.592 0.378 10.832 1.00 0.00 O ATOM 0 H SER A 83 -3.461 1.314 8.434 1.00 0.00 H new ATOM 0 HA SER A 83 -0.499 1.119 8.334 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.181 -1.082 9.502 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.450 -0.831 9.615 1.00 0.00 H new ATOM 0 HG SER A 83 -2.548 0.429 11.041 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.761 -0.925 6.637 1.00 0.00 N ATOM 1158 CA TYR A 84 -0.971 -1.805 5.496 1.00 0.00 C ATOM 1159 C TYR A 84 0.112 -2.869 5.458 1.00 0.00 C ATOM 1160 O TYR A 84 1.149 -2.717 6.108 1.00 0.00 O ATOM 1161 CB TYR A 84 -0.969 -1.043 4.155 1.00 0.00 C ATOM 1162 CG TYR A 84 0.409 -0.650 3.653 1.00 0.00 C ATOM 1163 CD1 TYR A 84 1.088 0.391 4.298 1.00 0.00 C ATOM 1164 CD2 TYR A 84 1.128 -1.506 2.796 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.490 0.377 4.365 1.00 0.00 C ATOM 1166 CE2 TYR A 84 2.533 -1.494 2.818 1.00 0.00 C ATOM 1167 CZ TYR A 84 3.205 -0.611 3.676 1.00 0.00 C ATOM 1168 OH TYR A 84 4.511 -0.835 3.982 1.00 0.00 O ATOM 0 H TYR A 84 0.175 -0.980 7.039 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.953 -2.260 5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.453 -1.662 3.400 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.572 -0.142 4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.534 1.204 4.743 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.602 -2.169 2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.014 1.123 4.944 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.092 -2.161 2.178 1.00 0.00 H new ATOM 0 HH TYR A 84 5.051 -0.791 3.165 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.098 -3.882 4.622 1.00 0.00 N ATOM 1179 CA ARG A 85 0.982 -4.722 4.131 1.00 0.00 C ATOM 1180 C ARG A 85 0.560 -5.385 2.824 1.00 0.00 C ATOM 1181 O ARG A 85 -0.623 -5.691 2.655 1.00 0.00 O ATOM 1182 CB ARG A 85 1.402 -5.741 5.198 1.00 0.00 C ATOM 1183 CG ARG A 85 2.917 -5.921 5.265 1.00 0.00 C ATOM 1184 CD ARG A 85 3.627 -4.665 5.801 1.00 0.00 C ATOM 1185 NE ARG A 85 5.057 -4.915 6.031 1.00 0.00 N ATOM 1186 CZ ARG A 85 6.009 -3.970 6.110 1.00 0.00 C ATOM 1187 NH1 ARG A 85 5.757 -2.700 5.788 1.00 0.00 N ATOM 1188 NH2 ARG A 85 7.228 -4.308 6.519 1.00 0.00 N ATOM 0 H ARG A 85 -1.019 -4.140 4.269 1.00 0.00 H new ATOM 0 HA ARG A 85 1.859 -4.109 3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.034 -5.417 6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.934 -6.702 4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.152 -6.771 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.298 -6.156 4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.509 -3.847 5.090 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.157 -4.349 6.732 1.00 0.00 H new ATOM 0 HE ARG A 85 5.351 -5.886 6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.825 -2.429 5.474 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.496 -2.000 5.856 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.432 -5.276 6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.959 -3.600 6.583 1.00 0.00 H new ATOM 1202 N ARG A 86 1.500 -5.563 1.887 1.00 0.00 N ATOM 1203 CA ARG A 86 1.204 -6.322 0.677 1.00 0.00 C ATOM 1204 C ARG A 86 0.943 -7.786 1.047 1.00 0.00 C ATOM 1205 O ARG A 86 1.627 -8.320 1.920 1.00 0.00 O ATOM 1206 CB ARG A 86 2.214 -6.109 -0.460 1.00 0.00 C ATOM 1207 CG ARG A 86 3.668 -6.339 -0.061 1.00 0.00 C ATOM 1208 CD ARG A 86 4.621 -6.469 -1.260 1.00 0.00 C ATOM 1209 NE ARG A 86 4.667 -7.849 -1.777 1.00 0.00 N ATOM 1210 CZ ARG A 86 5.755 -8.623 -1.924 1.00 0.00 C ATOM 1211 NH1 ARG A 86 6.968 -8.197 -1.567 1.00 0.00 N ATOM 1212 NH2 ARG A 86 5.662 -9.843 -2.433 1.00 0.00 N ATOM 0 H ARG A 86 2.451 -5.198 1.945 1.00 0.00 H new ATOM 0 HA ARG A 86 0.287 -5.928 0.238 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.965 -6.780 -1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.110 -5.091 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.999 -5.512 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.732 -7.244 0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.300 -5.794 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.623 -6.159 -0.963 1.00 0.00 H new ATOM 0 HE ARG A 86 3.776 -8.261 -2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.085 -7.264 -1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.778 -8.804 -1.689 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.754 -10.208 -2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.499 -10.417 -2.538 1.00 0.00 H new ATOM 1226 N VAL A 87 -0.079 -8.392 0.439 1.00 0.00 N ATOM 1227 CA VAL A 87 -0.521 -9.758 0.703 1.00 0.00 C ATOM 1228 C VAL A 87 -0.138 -10.707 -0.433 1.00 0.00 C ATOM 1229 O VAL A 87 -0.189 -11.925 -0.240 1.00 0.00 O ATOM 1230 CB VAL A 87 -2.028 -9.810 1.005 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -2.307 -9.209 2.385 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.884 -9.113 -0.059 1.00 0.00 C ATOM 0 H VAL A 87 -0.639 -7.927 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 87 0.002 -10.103 1.595 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.314 -10.862 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.377 -9.250 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.770 -9.777 3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.974 -8.171 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.936 -9.187 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.599 -8.063 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.726 -9.593 -1.025 1.00 0.00 H new ATOM 1242 N GLU A 88 0.268 -10.187 -1.588 1.00 0.00 N ATOM 1243 CA GLU A 88 1.057 -10.932 -2.547 1.00 0.00 C ATOM 1244 C GLU A 88 2.232 -10.020 -2.887 1.00 0.00 C ATOM 1245 CB GLU A 88 0.217 -11.395 -3.747 1.00 0.00 C ATOM 1246 CG GLU A 88 0.116 -10.429 -4.937 1.00 0.00 C ATOM 1247 CD GLU A 88 0.468 -11.141 -6.228 1.00 0.00 C ATOM 1248 OE1 GLU A 88 1.653 -11.494 -6.409 1.00 0.00 O ATOM 1249 OE2 GLU A 88 -0.458 -11.387 -7.027 1.00 0.00 O ATOM 0 H GLU A 88 0.055 -9.233 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 88 1.431 -11.875 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.631 -12.336 -4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.793 -11.605 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.894 -10.025 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.788 -9.584 -4.786 1.00 0.00 H new