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 63 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 77 THR OG1 : rot -150:sc= 0 USER MOD Set 2.1: A 7 MET CE :methyl 170:sc= -1.13 (180deg=-1.45) USER MOD Set 2.2: A 37 MET CE :methyl -178:sc= -0.104 (180deg=-0.125) USER MOD Set 3.1: A 22 GLN :FLIP amide:sc= -1.4 X(o=-1.9,f=-1.7) USER MOD Set 3.2: A 25 ASN :FLIP amide:sc= -0.281 X(o=-1.7,f=-1.7) USER MOD Set 4.1: A 9 LYS NZ :NH3+ -145:sc= 1.26 (180deg=-0.143) USER MOD Set 4.2: A 17 SER OG : rot -170:sc= 1.06 USER MOD Set 5.1: A 10 ASN : amide:sc= -1.74 K(o=-0.51,f=-11!) USER MOD Set 5.2: A 15 THR OG1 : rot -76:sc= 1.22 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.01) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.115 K(o=0.12,f=-9.1!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.026) USER MOD Single : A 39 THR OG1 : rot 16:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.315 X(o=-0.32,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.478 USER MOD Single : A 56 SER OG : rot 180:sc= -0.204 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -167:sc= 0 (180deg=-0.367) USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 74 ASN :FLIP amide:sc= 1.44 F(o=-1.1,f=1.4) USER MOD Single : A 76 ASN : amide:sc= 0.566 K(o=0.57,f=-5.6!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0.44 USER MOD Single : A 83 SER OG : rot 75:sc= 1.58 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.241 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 4 9.727 -2.983 -6.721 1.00 0.00 N ATOM 27 CA TYR A 4 9.383 -2.332 -5.476 1.00 0.00 C ATOM 28 C TYR A 4 7.878 -2.203 -5.414 1.00 0.00 C ATOM 29 O TYR A 4 7.184 -2.157 -6.434 1.00 0.00 O ATOM 30 CB TYR A 4 9.970 -0.921 -5.392 1.00 0.00 C ATOM 31 CG TYR A 4 9.772 -0.082 -6.644 1.00 0.00 C ATOM 32 CD1 TYR A 4 10.659 -0.182 -7.732 1.00 0.00 C ATOM 33 CD2 TYR A 4 8.593 0.677 -6.775 1.00 0.00 C ATOM 34 CE1 TYR A 4 10.343 0.440 -8.955 1.00 0.00 C ATOM 35 CE2 TYR A 4 8.291 1.307 -7.991 1.00 0.00 C ATOM 36 CZ TYR A 4 9.167 1.196 -9.079 1.00 0.00 C ATOM 37 OH TYR A 4 8.824 1.752 -10.276 1.00 0.00 O ATOM 0 HA TYR A 4 9.784 -2.929 -4.657 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.518 -0.402 -4.547 1.00 0.00 H new ATOM 0 HB3 TYR A 4 11.038 -0.997 -5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 4 11.581 -0.735 -7.629 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.919 0.774 -5.936 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.007 0.335 -9.800 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.380 1.879 -8.089 1.00 0.00 H new ATOM 0 HH TYR A 4 7.980 2.240 -10.180 1.00 0.00 H new ATOM 47 N LEU A 5 7.415 -2.033 -4.191 1.00 0.00 N ATOM 48 CA LEU A 5 6.119 -1.473 -3.893 1.00 0.00 C ATOM 49 C LEU A 5 6.345 -0.560 -2.705 1.00 0.00 C ATOM 50 O LEU A 5 6.547 -1.031 -1.587 1.00 0.00 O ATOM 51 CB LEU A 5 5.082 -2.567 -3.640 1.00 0.00 C ATOM 52 CG LEU A 5 3.668 -1.962 -3.562 1.00 0.00 C ATOM 53 CD1 LEU A 5 2.629 -2.991 -4.013 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.343 -1.446 -2.153 1.00 0.00 C ATOM 0 H LEU A 5 7.946 -2.288 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 5 5.704 -0.909 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.124 -3.307 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.313 -3.087 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 5 3.636 -1.105 -4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.633 -2.552 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.834 -3.288 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.679 -3.866 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.337 -1.027 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.401 -2.270 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.060 -0.674 -1.874 1.00 0.00 H new ATOM 66 N ILE A 6 6.370 0.737 -2.981 1.00 0.00 N ATOM 67 CA ILE A 6 6.521 1.780 -1.990 1.00 0.00 C ATOM 68 C ILE A 6 5.347 2.732 -2.130 1.00 0.00 C ATOM 69 O ILE A 6 4.562 2.625 -3.081 1.00 0.00 O ATOM 70 CB ILE A 6 7.843 2.522 -2.198 1.00 0.00 C ATOM 71 CG1 ILE A 6 8.111 2.879 -3.668 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.993 1.690 -1.631 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.888 4.191 -3.751 1.00 0.00 C ATOM 0 H ILE A 6 6.283 1.097 -3.931 1.00 0.00 H new ATOM 0 HA ILE A 6 6.536 1.351 -0.988 1.00 0.00 H new ATOM 0 HB ILE A 6 7.768 3.469 -1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.677 2.080 -4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.168 2.970 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.934 2.220 -1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.833 1.527 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.033 0.729 -2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.075 4.438 -4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.306 4.988 -3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.838 4.085 -3.228 1.00 0.00 H new ATOM 85 N MET A 7 5.229 3.655 -1.186 1.00 0.00 N ATOM 86 CA MET A 7 4.113 4.554 -1.065 1.00 0.00 C ATOM 87 C MET A 7 4.578 5.969 -0.762 1.00 0.00 C ATOM 88 O MET A 7 5.546 6.193 -0.044 1.00 0.00 O ATOM 89 CB MET A 7 3.082 3.985 -0.083 1.00 0.00 C ATOM 90 CG MET A 7 3.632 3.102 1.044 1.00 0.00 C ATOM 91 SD MET A 7 2.351 2.290 2.026 1.00 0.00 S ATOM 92 CE MET A 7 1.521 1.318 0.749 1.00 0.00 C ATOM 0 H MET A 7 5.936 3.795 -0.464 1.00 0.00 H new ATOM 0 HA MET A 7 3.595 4.637 -2.021 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.543 4.818 0.367 1.00 0.00 H new ATOM 0 HB3 MET A 7 2.355 3.403 -0.649 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.282 2.341 0.612 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.249 3.713 1.703 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.821 0.625 1.216 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.978 1.985 0.079 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.262 0.757 0.180 1.00 0.00 H new ATOM 102 N CYS A 8 3.917 6.933 -1.389 1.00 0.00 N ATOM 103 CA CYS A 8 4.410 8.272 -1.606 1.00 0.00 C ATOM 104 C CYS A 8 3.421 9.284 -1.056 1.00 0.00 C ATOM 105 O CYS A 8 2.294 8.957 -0.666 1.00 0.00 O ATOM 106 CB CYS A 8 4.671 8.487 -3.099 1.00 0.00 C ATOM 107 SG CYS A 8 5.821 7.321 -3.868 1.00 0.00 S ATOM 0 H CYS A 8 2.983 6.789 -1.774 1.00 0.00 H new ATOM 0 HA CYS A 8 5.352 8.410 -1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.719 8.433 -3.627 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.057 9.497 -3.240 1.00 0.00 H new ATOM 112 N LYS A 9 3.891 10.525 -0.998 1.00 0.00 N ATOM 113 CA LYS A 9 3.133 11.662 -0.510 1.00 0.00 C ATOM 114 C LYS A 9 2.183 12.140 -1.618 1.00 0.00 C ATOM 115 O LYS A 9 1.082 12.610 -1.349 1.00 0.00 O ATOM 116 CB LYS A 9 4.105 12.783 -0.070 1.00 0.00 C ATOM 117 CG LYS A 9 5.428 12.244 0.513 1.00 0.00 C ATOM 118 CD LYS A 9 6.275 13.274 1.280 1.00 0.00 C ATOM 119 CE LYS A 9 6.712 14.481 0.429 1.00 0.00 C ATOM 120 NZ LYS A 9 7.980 15.087 0.900 1.00 0.00 N ATOM 0 H LYS A 9 4.835 10.770 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 9 2.536 11.379 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.325 13.421 -0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.615 13.409 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.200 11.415 1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.028 11.840 -0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.704 13.633 2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.163 12.779 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.829 14.166 -0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.926 15.236 0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.946 16.117 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.110 14.879 1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.776 14.691 0.360 1.00 0.00 H new ATOM 134 N ASN A 10 2.644 12.033 -2.863 1.00 0.00 N ATOM 135 CA ASN A 10 1.999 12.461 -4.101 1.00 0.00 C ATOM 136 C ASN A 10 2.104 11.302 -5.093 1.00 0.00 C ATOM 137 O ASN A 10 2.509 10.208 -4.715 1.00 0.00 O ATOM 138 CB ASN A 10 2.744 13.679 -4.670 1.00 0.00 C ATOM 139 CG ASN A 10 4.169 13.290 -5.050 1.00 0.00 C ATOM 140 OD1 ASN A 10 4.775 12.479 -4.363 1.00 0.00 O ATOM 141 ND2 ASN A 10 4.721 13.795 -6.138 1.00 0.00 N ATOM 0 H ASN A 10 3.554 11.609 -3.046 1.00 0.00 H new ATOM 0 HA ASN A 10 0.958 12.731 -3.922 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.217 14.061 -5.544 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.762 14.481 -3.933 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.661 13.510 -6.413 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.207 14.470 -6.704 1.00 0.00 H new ATOM 148 N CYS A 11 1.790 11.537 -6.367 1.00 0.00 N ATOM 149 CA CYS A 11 1.699 10.454 -7.350 1.00 0.00 C ATOM 150 C CYS A 11 2.992 10.255 -8.143 1.00 0.00 C ATOM 151 O CYS A 11 3.092 9.354 -8.977 1.00 0.00 O ATOM 152 CB CYS A 11 0.550 10.812 -8.293 1.00 0.00 C ATOM 153 SG CYS A 11 0.129 9.681 -9.639 1.00 0.00 S ATOM 0 H CYS A 11 1.595 12.465 -6.743 1.00 0.00 H new ATOM 0 HA CYS A 11 1.525 9.511 -6.831 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.344 10.945 -7.685 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.780 11.780 -8.738 1.00 0.00 H new ATOM 158 N ASP A 12 4.035 11.014 -7.808 1.00 0.00 N ATOM 159 CA ASP A 12 5.342 10.965 -8.447 1.00 0.00 C ATOM 160 C ASP A 12 6.453 10.755 -7.419 1.00 0.00 C ATOM 161 O ASP A 12 6.696 11.673 -6.638 1.00 0.00 O ATOM 162 CB ASP A 12 5.613 12.294 -9.149 1.00 0.00 C ATOM 163 CG ASP A 12 7.030 12.339 -9.673 1.00 0.00 C ATOM 164 OD1 ASP A 12 7.544 11.286 -10.101 1.00 0.00 O ATOM 165 OD2 ASP A 12 7.640 13.420 -9.590 1.00 0.00 O ATOM 0 H ASP A 12 3.987 11.703 -7.057 1.00 0.00 H new ATOM 0 HA ASP A 12 5.335 10.135 -9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.911 12.427 -9.972 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.450 13.118 -8.455 1.00 0.00 H new ATOM 170 N PRO A 13 7.177 9.627 -7.430 1.00 0.00 N ATOM 171 CA PRO A 13 8.330 9.438 -6.572 1.00 0.00 C ATOM 172 C PRO A 13 9.439 10.444 -6.880 1.00 0.00 C ATOM 173 O PRO A 13 10.232 10.754 -5.989 1.00 0.00 O ATOM 174 CB PRO A 13 8.796 7.989 -6.771 1.00 0.00 C ATOM 175 CG PRO A 13 8.195 7.590 -8.114 1.00 0.00 C ATOM 176 CD PRO A 13 6.939 8.449 -8.237 1.00 0.00 C ATOM 0 HA PRO A 13 8.066 9.614 -5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.884 7.918 -6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.443 7.342 -5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.889 7.781 -8.933 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.954 6.527 -8.142 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.752 8.720 -9.276 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.061 7.907 -7.886 1.00 0.00 H new ATOM 184 N ASN A 14 9.507 11.002 -8.094 1.00 0.00 N ATOM 185 CA ASN A 14 10.601 11.912 -8.401 1.00 0.00 C ATOM 186 C ASN A 14 10.505 13.140 -7.506 1.00 0.00 C ATOM 187 O ASN A 14 11.512 13.525 -6.911 1.00 0.00 O ATOM 188 CB ASN A 14 10.674 12.288 -9.886 1.00 0.00 C ATOM 189 CG ASN A 14 12.090 12.685 -10.311 1.00 0.00 C ATOM 190 OD1 ASN A 14 12.507 12.386 -11.431 1.00 0.00 O ATOM 191 ND2 ASN A 14 12.877 13.316 -9.447 1.00 0.00 N ATOM 0 H ASN A 14 8.841 10.844 -8.851 1.00 0.00 H new ATOM 0 HA ASN A 14 11.536 11.392 -8.194 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.338 11.445 -10.490 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.991 13.114 -10.084 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.833 13.556 -9.709 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.525 13.561 -8.521 1.00 0.00 H new ATOM 198 N THR A 15 9.301 13.694 -7.360 1.00 0.00 N ATOM 199 CA THR A 15 9.023 14.819 -6.469 1.00 0.00 C ATOM 200 C THR A 15 8.303 14.383 -5.186 1.00 0.00 C ATOM 201 O THR A 15 7.839 15.227 -4.419 1.00 0.00 O ATOM 202 CB THR A 15 8.221 15.885 -7.235 1.00 0.00 C ATOM 203 OG1 THR A 15 7.050 15.316 -7.788 1.00 0.00 O ATOM 204 CG2 THR A 15 9.037 16.477 -8.385 1.00 0.00 C ATOM 0 H THR A 15 8.478 13.367 -7.867 1.00 0.00 H new ATOM 0 HA THR A 15 9.972 15.247 -6.147 1.00 0.00 H new ATOM 0 HB THR A 15 7.970 16.669 -6.521 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.285 14.787 -8.579 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.441 17.227 -8.906 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.940 16.942 -7.989 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.312 15.685 -9.081 1.00 0.00 H new ATOM 212 N GLY A 16 8.273 13.083 -4.905 1.00 0.00 N ATOM 213 CA GLY A 16 7.664 12.501 -3.724 1.00 0.00 C ATOM 214 C GLY A 16 8.665 11.704 -2.924 1.00 0.00 C ATOM 215 O GLY A 16 9.146 10.652 -3.339 1.00 0.00 O ATOM 0 H GLY A 16 8.689 12.384 -5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.245 13.292 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.836 11.856 -4.020 1.00 0.00 H new ATOM 219 N SER A 17 8.930 12.193 -1.727 1.00 0.00 N ATOM 220 CA SER A 17 9.739 11.498 -0.746 1.00 0.00 C ATOM 221 C SER A 17 8.911 10.333 -0.213 1.00 0.00 C ATOM 222 O SER A 17 8.077 10.513 0.674 1.00 0.00 O ATOM 223 CB SER A 17 10.184 12.468 0.349 1.00 0.00 C ATOM 224 OG SER A 17 10.169 13.797 -0.149 1.00 0.00 O ATOM 0 H SER A 17 8.584 13.097 -1.405 1.00 0.00 H new ATOM 0 HA SER A 17 10.655 11.102 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.522 12.386 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.186 12.210 0.691 1.00 0.00 H new ATOM 0 HG SER A 17 10.601 14.393 0.497 1.00 0.00 H new ATOM 230 N CYS A 18 9.079 9.156 -0.796 1.00 0.00 N ATOM 231 CA CYS A 18 8.229 8.005 -0.542 1.00 0.00 C ATOM 232 C CYS A 18 8.772 7.238 0.646 1.00 0.00 C ATOM 233 O CYS A 18 9.847 7.580 1.154 1.00 0.00 O ATOM 234 CB CYS A 18 8.193 7.127 -1.793 1.00 0.00 C ATOM 235 SG CYS A 18 7.724 7.968 -3.316 1.00 0.00 S ATOM 0 H CYS A 18 9.822 8.972 -1.470 1.00 0.00 H new ATOM 0 HA CYS A 18 7.213 8.324 -0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.178 6.682 -1.932 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.495 6.308 -1.621 1.00 0.00 H new ATOM 240 N ASP A 19 8.053 6.225 1.124 1.00 0.00 N ATOM 241 CA ASP A 19 8.709 5.208 1.919 1.00 0.00 C ATOM 242 C ASP A 19 9.622 4.427 0.975 1.00 0.00 C ATOM 243 O ASP A 19 9.493 4.510 -0.243 1.00 0.00 O ATOM 244 CB ASP A 19 7.713 4.301 2.660 1.00 0.00 C ATOM 245 CG ASP A 19 7.482 2.986 1.940 1.00 0.00 C ATOM 246 OD1 ASP A 19 6.699 3.000 0.976 1.00 0.00 O ATOM 247 OD2 ASP A 19 8.091 1.984 2.370 1.00 0.00 O ATOM 0 H ASP A 19 7.052 6.093 0.979 1.00 0.00 H new ATOM 0 HA ASP A 19 9.293 5.671 2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.086 4.101 3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.763 4.823 2.770 1.00 0.00 H new ATOM 252 N TRP A 20 10.565 3.714 1.563 1.00 0.00 N ATOM 253 CA TRP A 20 11.398 2.721 0.931 1.00 0.00 C ATOM 254 C TRP A 20 11.737 1.754 2.059 1.00 0.00 C ATOM 255 O TRP A 20 12.913 1.560 2.389 1.00 0.00 O ATOM 256 CB TRP A 20 12.630 3.372 0.275 1.00 0.00 C ATOM 257 CG TRP A 20 12.404 4.261 -0.918 1.00 0.00 C ATOM 258 CD1 TRP A 20 12.172 5.595 -0.886 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.385 3.896 -2.333 1.00 0.00 C ATOM 260 NE1 TRP A 20 12.012 6.079 -2.169 1.00 0.00 N ATOM 261 CE2 TRP A 20 12.145 5.073 -3.105 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.536 2.682 -3.040 1.00 0.00 C ATOM 263 CZ2 TRP A 20 12.056 5.043 -4.507 1.00 0.00 C ATOM 264 CZ3 TRP A 20 12.443 2.641 -4.444 1.00 0.00 C ATOM 265 CH2 TRP A 20 12.217 3.819 -5.178 1.00 0.00 C ATOM 0 H TRP A 20 10.778 3.823 2.554 1.00 0.00 H new ATOM 0 HA TRP A 20 10.911 2.199 0.107 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.144 3.958 1.037 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.309 2.575 -0.026 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.120 6.193 0.012 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.820 7.055 -2.396 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.726 1.770 -2.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.866 5.950 -5.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.546 1.698 -4.961 1.00 0.00 H new ATOM 0 HH2 TRP A 20 12.167 3.783 -6.256 1.00 0.00 H new ATOM 276 N LYS A 21 10.700 1.232 2.716 1.00 0.00 N ATOM 277 CA LYS A 21 10.776 0.423 3.921 1.00 0.00 C ATOM 278 C LYS A 21 10.272 -0.987 3.586 1.00 0.00 C ATOM 279 O LYS A 21 9.819 -1.271 2.478 1.00 0.00 O ATOM 280 CB LYS A 21 9.924 1.088 5.024 1.00 0.00 C ATOM 281 CG LYS A 21 10.770 1.829 6.070 1.00 0.00 C ATOM 282 CD LYS A 21 11.470 3.018 5.396 1.00 0.00 C ATOM 283 CE LYS A 21 12.054 4.039 6.382 1.00 0.00 C ATOM 284 NZ LYS A 21 13.210 3.527 7.136 1.00 0.00 N ATOM 0 H LYS A 21 9.740 1.372 2.402 1.00 0.00 H new ATOM 0 HA LYS A 21 11.800 0.348 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.228 1.790 4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.326 0.326 5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.138 2.178 6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.508 1.154 6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.272 2.642 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.758 3.524 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.354 4.932 5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.277 4.341 7.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.556 4.264 7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.924 2.691 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.967 3.264 6.474 1.00 0.00 H new ATOM 298 N GLN A 22 10.347 -1.884 4.567 1.00 0.00 N ATOM 299 CA GLN A 22 9.889 -3.255 4.428 1.00 0.00 C ATOM 300 C GLN A 22 8.372 -3.266 4.193 1.00 0.00 C ATOM 301 O GLN A 22 7.691 -2.314 4.582 1.00 0.00 O ATOM 302 CB GLN A 22 10.272 -3.999 5.712 1.00 0.00 C ATOM 303 CG GLN A 22 10.229 -5.514 5.526 1.00 0.00 C ATOM 304 CD GLN A 22 10.714 -6.282 6.744 1.00 0.00 C ATOM 305 OE1 GLN A 22 10.345 -5.852 7.940 1.00 0.00 O flip ATOM 306 NE2 GLN A 22 11.394 -7.298 6.608 1.00 0.00 N flip ATOM 0 H GLN A 22 10.732 -1.672 5.488 1.00 0.00 H new ATOM 0 HA GLN A 22 10.352 -3.749 3.574 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.274 -3.699 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.592 -3.712 6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.207 -5.816 5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.842 -5.785 4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.666 -7.609 5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.686 -7.830 7.428 1.00 0.00 H new ATOM 315 N ASN A 23 7.843 -4.296 3.526 1.00 0.00 N ATOM 316 CA ASN A 23 6.402 -4.395 3.254 1.00 0.00 C ATOM 317 C ASN A 23 5.836 -5.818 3.245 1.00 0.00 C ATOM 318 O ASN A 23 4.644 -6.016 3.487 1.00 0.00 O ATOM 319 CB ASN A 23 5.996 -3.589 2.010 1.00 0.00 C ATOM 320 CG ASN A 23 6.646 -4.015 0.698 1.00 0.00 C ATOM 321 OD1 ASN A 23 6.013 -4.650 -0.144 1.00 0.00 O ATOM 322 ND2 ASN A 23 7.898 -3.633 0.490 1.00 0.00 N ATOM 0 H ASN A 23 8.391 -5.076 3.163 1.00 0.00 H new ATOM 0 HA ASN A 23 5.926 -3.932 4.119 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.914 -3.655 1.895 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.234 -2.540 2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.363 -3.865 -0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.397 -3.107 1.208 1.00 0.00 H new ATOM 329 N TRP A 24 6.656 -6.838 3.003 1.00 0.00 N ATOM 330 CA TRP A 24 6.232 -8.213 2.839 1.00 0.00 C ATOM 331 C TRP A 24 6.535 -8.996 4.105 1.00 0.00 C ATOM 332 O TRP A 24 6.755 -10.206 4.069 1.00 0.00 O ATOM 333 CB TRP A 24 7.013 -8.786 1.648 1.00 0.00 C ATOM 334 CG TRP A 24 6.261 -8.779 0.375 1.00 0.00 C ATOM 335 CD1 TRP A 24 6.576 -8.079 -0.732 1.00 0.00 C ATOM 336 CD2 TRP A 24 5.047 -9.513 0.081 1.00 0.00 C ATOM 337 NE1 TRP A 24 5.659 -8.383 -1.720 1.00 0.00 N ATOM 338 CE2 TRP A 24 4.666 -9.226 -1.257 1.00 0.00 C ATOM 339 CE3 TRP A 24 4.218 -10.375 0.829 1.00 0.00 C ATOM 340 CZ2 TRP A 24 3.500 -9.759 -1.821 1.00 0.00 C ATOM 341 CZ3 TRP A 24 3.029 -10.884 0.284 1.00 0.00 C ATOM 342 CH2 TRP A 24 2.673 -10.577 -1.037 1.00 0.00 C ATOM 0 H TRP A 24 7.665 -6.719 2.914 1.00 0.00 H new ATOM 0 HA TRP A 24 5.159 -8.278 2.656 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.931 -8.212 1.519 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.307 -9.810 1.879 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.406 -7.395 -0.831 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.709 -8.028 -2.675 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.502 -10.647 1.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.241 -9.543 -2.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.387 -11.513 0.883 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.758 -10.972 -1.453 1.00 0.00 H new ATOM 353 N ASN A 25 6.434 -8.323 5.244 1.00 0.00 N ATOM 354 CA ASN A 25 6.955 -8.855 6.489 1.00 0.00 C ATOM 355 C ASN A 25 6.018 -8.512 7.616 1.00 0.00 C ATOM 356 O ASN A 25 6.452 -8.084 8.675 1.00 0.00 O ATOM 357 CB ASN A 25 8.338 -8.273 6.763 1.00 0.00 C ATOM 358 CG ASN A 25 9.047 -9.049 7.866 1.00 0.00 C ATOM 359 OD1 ASN A 25 9.307 -8.442 9.019 1.00 0.00 O flip ATOM 360 ND2 ASN A 25 9.357 -10.221 7.678 1.00 0.00 N flip ATOM 0 H ASN A 25 5.995 -7.406 5.328 1.00 0.00 H new ATOM 0 HA ASN A 25 7.038 -9.939 6.411 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.935 -8.301 5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.245 -7.226 7.052 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.148 -10.667 6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.824 -10.749 8.415 1.00 0.00 H new ATOM 367 N THR A 26 4.726 -8.676 7.377 1.00 0.00 N ATOM 368 CA THR A 26 3.709 -8.514 8.405 1.00 0.00 C ATOM 369 C THR A 26 3.249 -7.063 8.420 1.00 0.00 C ATOM 370 O THR A 26 3.720 -6.242 7.637 1.00 0.00 O ATOM 371 CB THR A 26 4.138 -9.056 9.796 1.00 0.00 C ATOM 372 OG1 THR A 26 3.077 -9.815 10.332 1.00 0.00 O ATOM 373 CG2 THR A 26 4.544 -8.017 10.859 1.00 0.00 C ATOM 0 H THR A 26 4.352 -8.926 6.462 1.00 0.00 H new ATOM 0 HA THR A 26 2.854 -9.141 8.152 1.00 0.00 H new ATOM 0 HB THR A 26 5.042 -9.629 9.590 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.336 -10.165 11.210 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.820 -8.529 11.781 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.394 -7.439 10.496 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.706 -7.348 11.053 1.00 0.00 H new ATOM 381 N CYS A 27 2.275 -6.790 9.273 1.00 0.00 N ATOM 382 CA CYS A 27 1.752 -5.469 9.559 1.00 0.00 C ATOM 383 C CYS A 27 2.862 -4.449 9.814 1.00 0.00 C ATOM 384 O CYS A 27 3.545 -4.516 10.834 1.00 0.00 O ATOM 385 CB CYS A 27 0.849 -5.620 10.769 1.00 0.00 C ATOM 386 SG CYS A 27 0.320 -4.114 11.582 1.00 0.00 S ATOM 0 H CYS A 27 1.807 -7.521 9.809 1.00 0.00 H new ATOM 0 HA CYS A 27 1.202 -5.084 8.701 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.041 -6.169 10.461 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.367 -6.237 11.503 1.00 0.00 H new ATOM 391 N VAL A 28 3.043 -3.516 8.882 1.00 0.00 N ATOM 392 CA VAL A 28 3.920 -2.358 8.961 1.00 0.00 C ATOM 393 C VAL A 28 3.037 -1.138 9.244 1.00 0.00 C ATOM 394 O VAL A 28 1.893 -1.080 8.781 1.00 0.00 O ATOM 395 CB VAL A 28 4.703 -2.243 7.638 1.00 0.00 C ATOM 396 CG1 VAL A 28 5.444 -0.909 7.485 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.737 -3.373 7.543 1.00 0.00 C ATOM 0 H VAL A 28 2.545 -3.555 7.993 1.00 0.00 H new ATOM 0 HA VAL A 28 4.657 -2.440 9.760 1.00 0.00 H new ATOM 0 HB VAL A 28 3.961 -2.310 6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.974 -0.894 6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.727 -0.089 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.159 -0.794 8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.287 -3.286 6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.432 -3.301 8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.228 -4.336 7.576 1.00 0.00 H new ATOM 407 N GLY A 29 3.545 -0.182 10.025 1.00 0.00 N ATOM 408 CA GLY A 29 2.826 1.012 10.414 1.00 0.00 C ATOM 409 C GLY A 29 2.853 2.036 9.288 1.00 0.00 C ATOM 410 O GLY A 29 3.901 2.286 8.693 1.00 0.00 O ATOM 0 H GLY A 29 4.489 -0.227 10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.795 0.760 10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.273 1.437 11.312 1.00 0.00 H new ATOM 414 N ILE A 30 1.706 2.640 9.005 1.00 0.00 N ATOM 415 CA ILE A 30 1.420 3.486 7.857 1.00 0.00 C ATOM 416 C ILE A 30 0.712 4.743 8.344 1.00 0.00 C ATOM 417 O ILE A 30 0.322 4.839 9.507 1.00 0.00 O ATOM 418 CB ILE A 30 0.584 2.682 6.838 1.00 0.00 C ATOM 419 CG1 ILE A 30 1.450 1.639 6.116 1.00 0.00 C ATOM 420 CG2 ILE A 30 -0.195 3.512 5.808 1.00 0.00 C ATOM 421 CD1 ILE A 30 2.670 2.231 5.401 1.00 0.00 C ATOM 0 H ILE A 30 0.895 2.544 9.616 1.00 0.00 H new ATOM 0 HA ILE A 30 2.333 3.798 7.350 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.176 2.196 7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.790 0.899 6.841 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.834 1.112 5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.745 2.845 5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.895 4.169 6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.501 4.113 5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.230 1.432 4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.339 2.949 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.309 2.733 6.127 1.00 0.00 H new ATOM 433 N GLY A 31 0.625 5.742 7.476 1.00 0.00 N ATOM 434 CA GLY A 31 -0.140 6.948 7.664 1.00 0.00 C ATOM 435 C GLY A 31 0.791 8.101 7.365 1.00 0.00 C ATOM 436 O GLY A 31 1.889 7.908 6.843 1.00 0.00 O ATOM 0 H GLY A 31 1.113 5.724 6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.004 6.966 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.520 7.011 8.684 1.00 0.00 H new ATOM 440 N ALA A 32 0.347 9.286 7.742 1.00 0.00 N ATOM 441 CA ALA A 32 1.152 10.482 7.855 1.00 0.00 C ATOM 442 C ALA A 32 2.039 10.798 6.660 1.00 0.00 C ATOM 443 O ALA A 32 3.215 10.436 6.617 1.00 0.00 O ATOM 444 CB ALA A 32 1.927 10.458 9.170 1.00 0.00 C ATOM 0 H ALA A 32 -0.630 9.445 7.988 1.00 0.00 H new ATOM 0 HA ALA A 32 0.450 11.316 7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.533 11.361 9.252 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.227 10.414 10.004 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.576 9.582 9.194 1.00 0.00 H new ATOM 450 N ASN A 33 1.461 11.552 5.729 1.00 0.00 N ATOM 451 CA ASN A 33 2.075 12.039 4.503 1.00 0.00 C ATOM 452 C ASN A 33 2.436 10.899 3.571 1.00 0.00 C ATOM 453 O ASN A 33 3.279 11.077 2.699 1.00 0.00 O ATOM 454 CB ASN A 33 3.283 12.961 4.744 1.00 0.00 C ATOM 455 CG ASN A 33 2.988 14.167 5.625 1.00 0.00 C ATOM 456 OD1 ASN A 33 3.770 14.486 6.518 1.00 0.00 O ATOM 457 ND2 ASN A 33 1.881 14.868 5.406 1.00 0.00 N ATOM 0 H ASN A 33 0.492 11.856 5.819 1.00 0.00 H new ATOM 0 HA ASN A 33 1.317 12.654 4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.083 12.379 5.202 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.655 13.312 3.781 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.671 15.683 5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.241 14.591 4.661 1.00 0.00 H new ATOM 464 N VAL A 34 1.791 9.740 3.718 1.00 0.00 N ATOM 465 CA VAL A 34 1.977 8.639 2.782 1.00 0.00 C ATOM 466 C VAL A 34 0.598 8.080 2.416 1.00 0.00 C ATOM 467 O VAL A 34 -0.026 7.388 3.226 1.00 0.00 O ATOM 468 CB VAL A 34 2.904 7.610 3.447 1.00 0.00 C ATOM 469 CG1 VAL A 34 3.076 6.352 2.595 1.00 0.00 C ATOM 470 CG2 VAL A 34 4.307 8.192 3.679 1.00 0.00 C ATOM 0 H VAL A 34 1.137 9.544 4.476 1.00 0.00 H new ATOM 0 HA VAL A 34 2.450 8.950 1.850 1.00 0.00 H new ATOM 0 HB VAL A 34 2.428 7.355 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.739 5.654 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.105 5.882 2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.507 6.622 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.939 7.440 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.742 8.484 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.236 9.065 4.328 1.00 0.00 H new ATOM 480 N HIS A 35 0.073 8.443 1.244 1.00 0.00 N ATOM 481 CA HIS A 35 -1.272 8.081 0.783 1.00 0.00 C ATOM 482 C HIS A 35 -1.333 7.884 -0.724 1.00 0.00 C ATOM 483 O HIS A 35 -2.393 7.991 -1.339 1.00 0.00 O ATOM 484 CB HIS A 35 -2.288 9.132 1.242 1.00 0.00 C ATOM 485 CG HIS A 35 -1.815 10.561 1.095 1.00 0.00 C ATOM 486 ND1 HIS A 35 -2.115 11.432 0.077 1.00 0.00 N ATOM 487 CD2 HIS A 35 -1.005 11.234 1.971 1.00 0.00 C ATOM 488 CE1 HIS A 35 -1.493 12.594 0.335 1.00 0.00 C ATOM 489 NE2 HIS A 35 -0.807 12.529 1.491 1.00 0.00 N ATOM 0 H HIS A 35 0.584 9.012 0.570 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.527 7.122 1.233 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.207 9.005 0.670 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.535 8.949 2.288 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.589 10.829 2.882 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.537 13.466 -0.301 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.258 13.271 1.925 1.00 0.00 H new ATOM 497 N TRP A 36 -0.209 7.537 -1.322 1.00 0.00 N ATOM 498 CA TRP A 36 -0.165 7.048 -2.677 1.00 0.00 C ATOM 499 C TRP A 36 0.652 5.780 -2.593 1.00 0.00 C ATOM 500 O TRP A 36 1.555 5.722 -1.776 1.00 0.00 O ATOM 501 CB TRP A 36 0.468 8.121 -3.557 1.00 0.00 C ATOM 502 CG TRP A 36 -0.413 9.321 -3.688 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.608 10.273 -2.750 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.362 9.609 -4.749 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.637 11.101 -3.142 1.00 0.00 N ATOM 506 CE2 TRP A 36 -2.110 10.766 -4.393 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.701 8.963 -5.951 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -3.121 11.283 -5.216 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.717 9.468 -6.784 1.00 0.00 C ATOM 510 CH2 TRP A 36 -3.429 10.622 -6.416 1.00 0.00 C ATOM 0 H TRP A 36 0.705 7.589 -0.872 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.139 6.834 -3.118 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.427 8.419 -3.134 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.670 7.708 -4.545 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.044 10.370 -1.834 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.003 11.867 -2.577 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.174 8.066 -6.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.655 12.177 -4.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.951 8.966 -7.711 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.213 11.000 -7.056 1.00 0.00 H new ATOM 521 N MET A 37 0.321 4.756 -3.356 1.00 0.00 N ATOM 522 CA MET A 37 1.150 3.589 -3.574 1.00 0.00 C ATOM 523 C MET A 37 1.654 3.755 -4.995 1.00 0.00 C ATOM 524 O MET A 37 0.844 3.985 -5.890 1.00 0.00 O ATOM 525 CB MET A 37 0.296 2.339 -3.356 1.00 0.00 C ATOM 526 CG MET A 37 1.001 1.011 -3.630 1.00 0.00 C ATOM 527 SD MET A 37 -0.080 -0.441 -3.481 1.00 0.00 S ATOM 528 CE MET A 37 -0.549 -0.408 -1.736 1.00 0.00 C ATOM 0 H MET A 37 -0.565 4.714 -3.859 1.00 0.00 H new ATOM 0 HA MET A 37 1.995 3.485 -2.893 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.060 2.337 -2.326 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.584 2.404 -3.997 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.423 1.036 -4.635 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.835 0.904 -2.936 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.181 -1.267 -1.513 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.348 -0.447 -1.117 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.097 0.510 -1.524 1.00 0.00 H new ATOM 538 N VAL A 38 2.967 3.722 -5.203 1.00 0.00 N ATOM 539 CA VAL A 38 3.540 3.874 -6.528 1.00 0.00 C ATOM 540 C VAL A 38 4.448 2.673 -6.764 1.00 0.00 C ATOM 541 O VAL A 38 5.598 2.645 -6.324 1.00 0.00 O ATOM 542 CB VAL A 38 4.190 5.256 -6.727 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.369 5.487 -8.234 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.310 6.390 -6.176 1.00 0.00 C ATOM 0 H VAL A 38 3.655 3.590 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 38 2.773 3.868 -7.302 1.00 0.00 H new ATOM 0 HB VAL A 38 5.140 5.266 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.828 6.461 -8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.009 4.708 -8.648 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.396 5.456 -8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.806 7.347 -6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.349 6.388 -6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.149 6.240 -5.108 1.00 0.00 H new ATOM 554 N THR A 39 3.879 1.644 -7.385 1.00 0.00 N ATOM 555 CA THR A 39 4.452 0.308 -7.484 1.00 0.00 C ATOM 556 C THR A 39 5.107 0.149 -8.851 1.00 0.00 C ATOM 557 O THR A 39 4.713 0.847 -9.787 1.00 0.00 O ATOM 558 CB THR A 39 3.333 -0.719 -7.245 1.00 0.00 C ATOM 559 OG1 THR A 39 3.858 -2.016 -7.084 1.00 0.00 O ATOM 560 CG2 THR A 39 2.302 -0.759 -8.373 1.00 0.00 C ATOM 0 H THR A 39 2.974 1.722 -7.849 1.00 0.00 H new ATOM 0 HA THR A 39 5.224 0.146 -6.732 1.00 0.00 H new ATOM 0 HB THR A 39 2.834 -0.392 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.819 -1.960 -6.902 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.540 -1.504 -8.143 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.834 0.220 -8.473 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.796 -1.022 -9.308 1.00 0.00 H new ATOM 568 N GLY A 40 6.091 -0.740 -8.992 1.00 0.00 N ATOM 569 CA GLY A 40 6.694 -1.024 -10.284 1.00 0.00 C ATOM 570 C GLY A 40 7.983 -1.812 -10.130 1.00 0.00 C ATOM 571 O GLY A 40 8.244 -2.396 -9.079 1.00 0.00 O ATOM 0 H GLY A 40 6.486 -1.276 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.992 -1.587 -10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.897 -0.089 -10.806 1.00 0.00 H new ATOM 626 N LYS A 46 3.232 -6.853 -13.429 1.00 0.00 N ATOM 627 CA LYS A 46 3.105 -7.461 -12.116 1.00 0.00 C ATOM 628 C LYS A 46 2.508 -6.460 -11.133 1.00 0.00 C ATOM 629 O LYS A 46 3.187 -5.538 -10.683 1.00 0.00 O ATOM 630 CB LYS A 46 4.452 -7.963 -11.621 1.00 0.00 C ATOM 631 CG LYS A 46 5.050 -8.932 -12.646 1.00 0.00 C ATOM 632 CD LYS A 46 6.024 -9.912 -11.990 1.00 0.00 C ATOM 633 CE LYS A 46 5.281 -10.940 -11.123 1.00 0.00 C ATOM 634 NZ LYS A 46 6.137 -12.075 -10.734 1.00 0.00 N ATOM 0 HA LYS A 46 2.436 -8.318 -12.192 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.128 -7.123 -11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.334 -8.463 -10.660 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.249 -9.486 -13.135 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.567 -8.368 -13.422 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.597 -10.429 -12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.738 -9.363 -11.376 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.904 -10.449 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.415 -11.313 -11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.589 -12.739 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.476 -12.562 -11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.951 -11.725 -10.189 1.00 0.00 H new ATOM 648 N GLN A 47 1.236 -6.651 -10.816 1.00 0.00 N ATOM 649 CA GLN A 47 0.548 -5.953 -9.748 1.00 0.00 C ATOM 650 C GLN A 47 1.197 -6.255 -8.402 1.00 0.00 C ATOM 651 O GLN A 47 1.972 -7.205 -8.275 1.00 0.00 O ATOM 652 CB GLN A 47 -0.929 -6.373 -9.737 1.00 0.00 C ATOM 653 CG GLN A 47 -1.172 -7.827 -9.304 1.00 0.00 C ATOM 654 CD GLN A 47 -2.593 -8.263 -9.651 1.00 0.00 C ATOM 655 OE1 GLN A 47 -2.833 -9.390 -10.073 1.00 0.00 O ATOM 656 NE2 GLN A 47 -3.562 -7.364 -9.526 1.00 0.00 N ATOM 0 H GLN A 47 0.640 -7.315 -11.310 1.00 0.00 H new ATOM 0 HA GLN A 47 0.617 -4.879 -9.921 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.477 -5.711 -9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.342 -6.230 -10.735 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.454 -8.483 -9.797 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.008 -7.924 -8.231 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.349 -6.431 -9.174 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.519 -7.607 -9.782 1.00 0.00 H new ATOM 665 N GLY A 48 0.825 -5.484 -7.387 1.00 0.00 N ATOM 666 CA GLY A 48 1.041 -5.842 -6.002 1.00 0.00 C ATOM 667 C GLY A 48 -0.142 -5.345 -5.195 1.00 0.00 C ATOM 668 O GLY A 48 -0.629 -4.241 -5.446 1.00 0.00 O ATOM 0 H GLY A 48 0.360 -4.584 -7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.144 -6.922 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.966 -5.398 -5.634 1.00 0.00 H new ATOM 672 N CYS A 49 -0.600 -6.128 -4.221 1.00 0.00 N ATOM 673 CA CYS A 49 -1.738 -5.741 -3.404 1.00 0.00 C ATOM 674 C CYS A 49 -1.334 -5.823 -1.950 1.00 0.00 C ATOM 675 O CYS A 49 -0.282 -6.392 -1.626 1.00 0.00 O ATOM 676 CB CYS A 49 -2.957 -6.628 -3.672 1.00 0.00 C ATOM 677 SG CYS A 49 -3.450 -6.889 -5.397 1.00 0.00 S ATOM 0 H CYS A 49 -0.197 -7.034 -3.981 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.026 -4.721 -3.659 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.765 -7.604 -3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.807 -6.198 -3.142 1.00 0.00 H new ATOM 682 N ALA A 50 -2.152 -5.246 -1.074 1.00 0.00 N ATOM 683 CA ALA A 50 -1.947 -5.202 0.360 1.00 0.00 C ATOM 684 C ALA A 50 -3.284 -5.137 1.077 1.00 0.00 C ATOM 685 O ALA A 50 -4.203 -4.483 0.596 1.00 0.00 O ATOM 686 CB ALA A 50 -1.131 -3.962 0.722 1.00 0.00 C ATOM 0 H ALA A 50 -3.011 -4.778 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.414 -6.102 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.977 -3.930 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.165 -4.003 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.668 -3.068 0.405 1.00 0.00 H new ATOM 692 N THR A 51 -3.357 -5.740 2.258 1.00 0.00 N ATOM 693 CA THR A 51 -4.408 -5.438 3.207 1.00 0.00 C ATOM 694 C THR A 51 -3.920 -4.193 3.944 1.00 0.00 C ATOM 695 O THR A 51 -2.815 -4.210 4.485 1.00 0.00 O ATOM 696 CB THR A 51 -4.586 -6.605 4.191 1.00 0.00 C ATOM 697 OG1 THR A 51 -4.653 -7.839 3.504 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.859 -6.446 5.026 1.00 0.00 C ATOM 0 H THR A 51 -2.693 -6.445 2.578 1.00 0.00 H new ATOM 0 HA THR A 51 -5.371 -5.280 2.722 1.00 0.00 H new ATOM 0 HB THR A 51 -3.719 -6.594 4.851 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.765 -8.567 4.150 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.953 -7.289 5.711 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.806 -5.519 5.597 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.726 -6.417 4.366 1.00 0.00 H new ATOM 706 N ILE A 52 -4.696 -3.114 3.928 1.00 0.00 N ATOM 707 CA ILE A 52 -4.435 -1.899 4.680 1.00 0.00 C ATOM 708 C ILE A 52 -5.502 -1.836 5.779 1.00 0.00 C ATOM 709 O ILE A 52 -6.601 -2.361 5.583 1.00 0.00 O ATOM 710 CB ILE A 52 -4.487 -0.667 3.751 1.00 0.00 C ATOM 711 CG1 ILE A 52 -3.651 -0.866 2.470 1.00 0.00 C ATOM 712 CG2 ILE A 52 -3.985 0.580 4.490 1.00 0.00 C ATOM 713 CD1 ILE A 52 -3.729 0.325 1.508 1.00 0.00 C ATOM 0 H ILE A 52 -5.550 -3.063 3.373 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.438 -1.902 5.121 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.529 -0.535 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.610 -1.035 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.994 -1.764 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.028 1.440 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.614 0.765 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.956 0.422 4.813 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.119 0.122 0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.764 0.480 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.359 1.221 2.007 1.00 0.00 H new ATOM 725 N TRP A 53 -5.197 -1.218 6.920 1.00 0.00 N ATOM 726 CA TRP A 53 -6.085 -1.049 8.063 1.00 0.00 C ATOM 727 C TRP A 53 -6.107 0.409 8.504 1.00 0.00 C ATOM 728 O TRP A 53 -5.128 1.124 8.283 1.00 0.00 O ATOM 729 CB TRP A 53 -5.544 -1.852 9.247 1.00 0.00 C ATOM 730 CG TRP A 53 -5.726 -3.330 9.182 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.750 -4.004 9.745 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.851 -4.337 8.600 1.00 0.00 C ATOM 733 NE1 TRP A 53 -6.611 -5.350 9.487 1.00 0.00 N ATOM 734 CE2 TRP A 53 -5.435 -5.619 8.819 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.613 -4.295 7.928 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.823 -6.803 8.384 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -2.979 -5.478 7.508 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.580 -6.728 7.736 1.00 0.00 C ATOM 0 H TRP A 53 -4.279 -0.803 7.077 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.081 -1.381 7.770 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.479 -1.643 9.344 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.024 -1.488 10.155 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.554 -3.557 10.311 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.293 -6.059 9.756 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.145 -3.342 7.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.301 -7.758 8.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.024 -5.426 7.007 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.085 -7.632 7.412 1.00 0.00 H new ATOM 749 N GLU A 54 -7.179 0.817 9.185 1.00 0.00 N ATOM 750 CA GLU A 54 -7.316 2.129 9.785 1.00 0.00 C ATOM 751 C GLU A 54 -6.649 2.182 11.166 1.00 0.00 C ATOM 752 O GLU A 54 -6.138 3.222 11.585 1.00 0.00 O ATOM 753 CB GLU A 54 -8.817 2.395 9.911 1.00 0.00 C ATOM 754 CG GLU A 54 -9.139 3.803 10.429 1.00 0.00 C ATOM 755 CD GLU A 54 -10.445 3.767 11.178 1.00 0.00 C ATOM 756 OE1 GLU A 54 -11.512 3.735 10.532 1.00 0.00 O ATOM 757 OE2 GLU A 54 -10.402 3.592 12.412 1.00 0.00 O ATOM 0 H GLU A 54 -7.994 0.222 9.334 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.826 2.884 9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.287 2.257 8.937 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.255 1.658 10.584 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.341 4.155 11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.202 4.504 9.597 1.00 0.00 H new ATOM 764 N GLY A 55 -6.717 1.094 11.928 1.00 0.00 N ATOM 765 CA GLY A 55 -6.198 1.064 13.283 1.00 0.00 C ATOM 766 C GLY A 55 -4.683 1.220 13.284 1.00 0.00 C ATOM 767 O GLY A 55 -4.006 0.758 12.361 1.00 0.00 O ATOM 0 H GLY A 55 -7.132 0.214 11.621 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.651 1.864 13.869 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.472 0.124 13.762 1.00 0.00 H new ATOM 771 N SER A 56 -4.145 1.843 14.333 1.00 0.00 N ATOM 772 CA SER A 56 -2.717 2.086 14.495 1.00 0.00 C ATOM 773 C SER A 56 -2.009 0.810 14.962 1.00 0.00 C ATOM 774 O SER A 56 -1.309 0.810 15.975 1.00 0.00 O ATOM 775 CB SER A 56 -2.521 3.223 15.513 1.00 0.00 C ATOM 776 OG SER A 56 -3.496 4.244 15.362 1.00 0.00 O ATOM 0 H SER A 56 -4.704 2.199 15.108 1.00 0.00 H new ATOM 0 HA SER A 56 -2.281 2.377 13.539 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.573 2.818 16.524 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.526 3.651 15.392 1.00 0.00 H new ATOM 0 HG SER A 56 -3.339 4.947 16.027 1.00 0.00 H new ATOM 782 N GLY A 57 -2.199 -0.277 14.223 1.00 0.00 N ATOM 783 CA GLY A 57 -1.769 -1.605 14.572 1.00 0.00 C ATOM 784 C GLY A 57 -2.764 -2.614 14.017 1.00 0.00 C ATOM 785 O GLY A 57 -3.295 -3.435 14.755 1.00 0.00 O ATOM 0 H GLY A 57 -2.680 -0.243 13.324 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.775 -1.796 14.168 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.698 -1.704 15.655 1.00 0.00 H new ATOM 789 N CYS A 58 -3.004 -2.553 12.703 1.00 0.00 N ATOM 790 CA CYS A 58 -3.622 -3.637 11.933 1.00 0.00 C ATOM 791 C CYS A 58 -4.974 -4.113 12.490 1.00 0.00 C ATOM 792 O CYS A 58 -5.360 -5.281 12.350 1.00 0.00 O ATOM 793 CB CYS A 58 -2.628 -4.782 11.637 1.00 0.00 C ATOM 794 SG CYS A 58 -1.194 -4.973 12.727 1.00 0.00 S ATOM 0 H CYS A 58 -2.771 -1.737 12.137 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.880 -3.204 10.966 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.185 -5.719 11.652 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.258 -4.648 10.621 1.00 0.00 H new ATOM 799 N VAL A 59 -5.745 -3.180 13.047 1.00 0.00 N ATOM 800 CA VAL A 59 -7.094 -3.351 13.550 1.00 0.00 C ATOM 801 C VAL A 59 -8.021 -2.324 12.902 1.00 0.00 C ATOM 802 O VAL A 59 -7.574 -1.506 12.099 1.00 0.00 O ATOM 803 CB VAL A 59 -7.081 -3.291 15.080 1.00 0.00 C ATOM 804 CG1 VAL A 59 -6.447 -4.564 15.637 1.00 0.00 C ATOM 805 CG2 VAL A 59 -6.399 -2.052 15.664 1.00 0.00 C ATOM 0 H VAL A 59 -5.415 -2.222 13.163 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.487 -4.331 13.280 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.123 -3.214 15.389 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.438 -4.520 16.726 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.025 -5.430 15.314 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.425 -4.652 15.269 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.437 -2.095 16.752 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.359 -2.022 15.338 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.914 -1.156 15.318 1.00 0.00 H new ATOM 815 N GLY A 60 -9.313 -2.385 13.199 1.00 0.00 N ATOM 816 CA GLY A 60 -10.276 -1.417 12.702 1.00 0.00 C ATOM 817 C GLY A 60 -10.735 -1.795 11.300 1.00 0.00 C ATOM 818 O GLY A 60 -10.740 -2.971 10.939 1.00 0.00 O ATOM 0 H GLY A 60 -9.721 -3.108 13.792 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.134 -1.372 13.372 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.828 -0.423 12.689 1.00 0.00 H new ATOM 822 N ARG A 61 -11.137 -0.803 10.514 1.00 0.00 N ATOM 823 CA ARG A 61 -11.628 -0.997 9.163 1.00 0.00 C ATOM 824 C ARG A 61 -10.433 -1.320 8.304 1.00 0.00 C ATOM 825 O ARG A 61 -9.353 -0.783 8.549 1.00 0.00 O ATOM 826 CB ARG A 61 -12.385 0.260 8.704 1.00 0.00 C ATOM 827 CG ARG A 61 -13.284 0.011 7.484 1.00 0.00 C ATOM 828 CD ARG A 61 -14.213 1.216 7.271 1.00 0.00 C ATOM 829 NE ARG A 61 -15.184 0.976 6.186 1.00 0.00 N ATOM 830 CZ ARG A 61 -16.469 1.372 6.211 1.00 0.00 C ATOM 831 NH1 ARG A 61 -16.872 2.246 7.129 1.00 0.00 N ATOM 832 NH2 ARG A 61 -17.346 0.875 5.341 1.00 0.00 N ATOM 0 H ARG A 61 -11.129 0.174 10.807 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.341 -1.819 9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.995 0.630 9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.665 1.043 8.464 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.672 -0.150 6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.874 -0.893 7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.748 1.430 8.196 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.616 2.098 7.036 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.858 0.475 5.360 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.207 2.613 7.810 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.846 2.549 7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.045 0.189 4.649 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.319 1.181 5.367 1.00 0.00 H new ATOM 846 N SER A 62 -10.611 -2.225 7.348 1.00 0.00 N ATOM 847 CA SER A 62 -9.537 -2.619 6.478 1.00 0.00 C ATOM 848 C SER A 62 -10.000 -2.717 5.035 1.00 0.00 C ATOM 849 O SER A 62 -11.193 -2.621 4.752 1.00 0.00 O ATOM 850 CB SER A 62 -8.840 -3.879 7.006 1.00 0.00 C ATOM 851 OG SER A 62 -9.719 -4.755 7.697 1.00 0.00 O ATOM 0 H SER A 62 -11.498 -2.695 7.165 1.00 0.00 H new ATOM 0 HA SER A 62 -8.775 -1.839 6.479 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.387 -4.413 6.171 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.030 -3.586 7.674 1.00 0.00 H new ATOM 0 HG SER A 62 -9.221 -5.539 8.009 1.00 0.00 H new ATOM 857 N THR A 63 -9.039 -2.836 4.122 1.00 0.00 N ATOM 858 CA THR A 63 -9.326 -3.068 2.715 1.00 0.00 C ATOM 859 C THR A 63 -8.159 -3.801 2.064 1.00 0.00 C ATOM 860 O THR A 63 -7.009 -3.483 2.361 1.00 0.00 O ATOM 861 CB THR A 63 -9.655 -1.742 2.003 1.00 0.00 C ATOM 862 OG1 THR A 63 -10.154 -1.957 0.696 1.00 0.00 O ATOM 863 CG2 THR A 63 -8.443 -0.811 1.875 1.00 0.00 C ATOM 0 H THR A 63 -8.044 -2.774 4.339 1.00 0.00 H new ATOM 0 HA THR A 63 -10.208 -3.702 2.623 1.00 0.00 H new ATOM 0 HB THR A 63 -10.409 -1.272 2.634 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.353 -1.094 0.276 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.740 0.105 1.365 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.065 -0.567 2.868 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.661 -1.308 1.301 1.00 0.00 H new ATOM 871 N THR A 64 -8.433 -4.750 1.169 1.00 0.00 N ATOM 872 CA THR A 64 -7.442 -5.172 0.193 1.00 0.00 C ATOM 873 C THR A 64 -7.327 -4.033 -0.824 1.00 0.00 C ATOM 874 O THR A 64 -8.175 -3.903 -1.704 1.00 0.00 O ATOM 875 CB THR A 64 -7.837 -6.511 -0.454 1.00 0.00 C ATOM 876 OG1 THR A 64 -7.830 -7.531 0.533 1.00 0.00 O ATOM 877 CG2 THR A 64 -6.855 -6.944 -1.547 1.00 0.00 C ATOM 0 H THR A 64 -9.328 -5.235 1.104 1.00 0.00 H new ATOM 0 HA THR A 64 -6.473 -5.356 0.657 1.00 0.00 H new ATOM 0 HB THR A 64 -8.824 -6.368 -0.894 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.083 -8.384 0.123 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.179 -7.894 -1.971 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.826 -6.187 -2.331 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.860 -7.059 -1.117 1.00 0.00 H new ATOM 885 N MET A 65 -6.299 -3.196 -0.708 1.00 0.00 N ATOM 886 CA MET A 65 -5.931 -2.262 -1.760 1.00 0.00 C ATOM 887 C MET A 65 -5.060 -3.045 -2.736 1.00 0.00 C ATOM 888 O MET A 65 -3.998 -3.534 -2.350 1.00 0.00 O ATOM 889 CB MET A 65 -5.160 -1.088 -1.144 1.00 0.00 C ATOM 890 CG MET A 65 -4.567 -0.086 -2.152 1.00 0.00 C ATOM 891 SD MET A 65 -5.499 1.433 -2.483 1.00 0.00 S ATOM 892 CE MET A 65 -6.930 0.818 -3.382 1.00 0.00 C ATOM 0 H MET A 65 -5.701 -3.149 0.117 1.00 0.00 H new ATOM 0 HA MET A 65 -6.800 -1.849 -2.273 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.828 -0.549 -0.472 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.349 -1.487 -0.535 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.577 0.199 -1.797 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.428 -0.607 -3.099 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.458 1.654 -3.841 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.602 0.126 -4.158 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.598 0.301 -2.693 1.00 0.00 H new ATOM 902 N CYS A 66 -5.485 -3.159 -3.990 1.00 0.00 N ATOM 903 CA CYS A 66 -4.638 -3.682 -5.050 1.00 0.00 C ATOM 904 C CYS A 66 -4.119 -2.509 -5.851 1.00 0.00 C ATOM 905 O CYS A 66 -4.766 -1.463 -5.915 1.00 0.00 O ATOM 906 CB CYS A 66 -5.397 -4.633 -5.977 1.00 0.00 C ATOM 907 SG CYS A 66 -5.463 -6.350 -5.427 1.00 0.00 S ATOM 0 H CYS A 66 -6.421 -2.893 -4.296 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.824 -4.250 -4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.417 -4.266 -6.093 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.933 -4.601 -6.963 1.00 0.00 H new ATOM 912 N CYS A 67 -2.966 -2.681 -6.484 1.00 0.00 N ATOM 913 CA CYS A 67 -2.417 -1.729 -7.428 1.00 0.00 C ATOM 914 C CYS A 67 -1.739 -2.491 -8.566 1.00 0.00 C ATOM 915 O CYS A 67 -0.853 -3.301 -8.284 1.00 0.00 O ATOM 916 CB CYS A 67 -1.400 -0.867 -6.697 1.00 0.00 C ATOM 917 SG CYS A 67 -0.802 0.502 -7.703 1.00 0.00 S ATOM 0 H CYS A 67 -2.378 -3.504 -6.350 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.203 -1.098 -7.843 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.851 -0.474 -5.786 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.556 -1.486 -6.394 1.00 0.00 H new ATOM 922 N PRO A 68 -2.174 -2.328 -9.825 1.00 0.00 N ATOM 923 CA PRO A 68 -1.529 -2.980 -10.952 1.00 0.00 C ATOM 924 C PRO A 68 -0.137 -2.410 -11.173 1.00 0.00 C ATOM 925 O PRO A 68 0.333 -1.540 -10.444 1.00 0.00 O ATOM 926 CB PRO A 68 -2.444 -2.766 -12.158 1.00 0.00 C ATOM 927 CG PRO A 68 -3.278 -1.539 -11.790 1.00 0.00 C ATOM 928 CD PRO A 68 -3.291 -1.507 -10.262 1.00 0.00 C ATOM 0 HA PRO A 68 -1.389 -4.047 -10.777 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.869 -2.597 -13.068 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.075 -3.636 -12.337 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.841 -0.628 -12.199 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.289 -1.615 -12.191 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.190 -0.486 -9.894 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.233 -1.894 -9.873 1.00 0.00 H new ATOM 936 N ALA A 69 0.543 -2.937 -12.178 1.00 0.00 N ATOM 937 CA ALA A 69 1.979 -2.781 -12.256 1.00 0.00 C ATOM 938 C ALA A 69 2.373 -1.370 -12.659 1.00 0.00 C ATOM 939 O ALA A 69 1.664 -0.712 -13.426 1.00 0.00 O ATOM 940 CB ALA A 69 2.540 -3.750 -13.287 1.00 0.00 C ATOM 0 H ALA A 69 0.126 -3.470 -12.941 1.00 0.00 H new ATOM 0 HA ALA A 69 2.386 -2.986 -11.266 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.622 -3.632 -13.346 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.301 -4.772 -12.993 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.099 -3.540 -14.261 1.00 0.00 H new ATOM 946 N ASN A 70 3.560 -0.961 -12.203 1.00 0.00 N ATOM 947 CA ASN A 70 4.308 0.159 -12.762 1.00 0.00 C ATOM 948 C ASN A 70 3.418 1.386 -12.865 1.00 0.00 C ATOM 949 O ASN A 70 3.260 1.940 -13.950 1.00 0.00 O ATOM 950 CB ASN A 70 4.886 -0.218 -14.131 1.00 0.00 C ATOM 951 CG ASN A 70 5.993 -1.252 -14.023 1.00 0.00 C ATOM 952 OD1 ASN A 70 5.760 -2.448 -14.169 1.00 0.00 O ATOM 953 ND2 ASN A 70 7.215 -0.813 -13.755 1.00 0.00 N ATOM 0 H ASN A 70 4.034 -1.411 -11.420 1.00 0.00 H new ATOM 0 HA ASN A 70 5.139 0.397 -12.097 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.089 -0.607 -14.765 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.273 0.677 -14.618 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.986 -1.474 -13.666 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.384 0.186 -13.638 1.00 0.00 H new ATOM 960 N THR A 71 2.785 1.770 -11.762 1.00 0.00 N ATOM 961 CA THR A 71 1.833 2.862 -11.761 1.00 0.00 C ATOM 962 C THR A 71 1.727 3.449 -10.369 1.00 0.00 C ATOM 963 O THR A 71 2.367 2.980 -9.426 1.00 0.00 O ATOM 964 CB THR A 71 0.468 2.380 -12.274 1.00 0.00 C ATOM 965 OG1 THR A 71 -0.331 3.474 -12.697 1.00 0.00 O ATOM 966 CG2 THR A 71 -0.300 1.575 -11.222 1.00 0.00 C ATOM 0 H THR A 71 2.920 1.332 -10.851 1.00 0.00 H new ATOM 0 HA THR A 71 2.181 3.645 -12.434 1.00 0.00 H new ATOM 0 HB THR A 71 0.674 1.725 -13.121 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.194 3.142 -13.021 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.258 1.258 -11.634 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.282 0.698 -10.939 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.471 2.196 -10.343 1.00 0.00 H new ATOM 974 N CYS A 72 0.872 4.459 -10.284 1.00 0.00 N ATOM 975 CA CYS A 72 0.524 5.250 -9.126 1.00 0.00 C ATOM 976 C CYS A 72 -0.931 4.962 -8.753 1.00 0.00 C ATOM 977 O CYS A 72 -1.767 4.727 -9.626 1.00 0.00 O ATOM 978 CB CYS A 72 0.723 6.711 -9.523 1.00 0.00 C ATOM 979 SG CYS A 72 -0.376 7.879 -8.727 1.00 0.00 S ATOM 0 H CYS A 72 0.358 4.770 -11.108 1.00 0.00 H new ATOM 0 HA CYS A 72 1.140 5.015 -8.258 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.751 6.994 -9.298 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.597 6.797 -10.602 1.00 0.00 H new ATOM 984 N CYS A 73 -1.229 4.899 -7.457 1.00 0.00 N ATOM 985 CA CYS A 73 -2.490 4.405 -6.921 1.00 0.00 C ATOM 986 C CYS A 73 -2.845 5.251 -5.707 1.00 0.00 C ATOM 987 O CYS A 73 -2.080 5.280 -4.749 1.00 0.00 O ATOM 988 CB CYS A 73 -2.329 2.927 -6.534 1.00 0.00 C ATOM 989 SG CYS A 73 -2.456 1.766 -7.914 1.00 0.00 S ATOM 0 H CYS A 73 -0.578 5.200 -6.731 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.289 4.477 -7.659 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.359 2.795 -6.054 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.088 2.675 -5.794 1.00 0.00 H new ATOM 994 N ASN A 74 -3.966 5.972 -5.741 1.00 0.00 N ATOM 995 CA ASN A 74 -4.357 6.872 -4.657 1.00 0.00 C ATOM 996 C ASN A 74 -4.874 6.073 -3.466 1.00 0.00 C ATOM 997 O ASN A 74 -6.016 5.618 -3.482 1.00 0.00 O ATOM 998 CB ASN A 74 -5.454 7.833 -5.126 1.00 0.00 C ATOM 999 CG ASN A 74 -5.843 8.814 -4.020 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -6.622 8.393 -3.030 1.00 0.00 O flip ATOM 1001 ND2 ASN A 74 -5.503 9.987 -4.069 1.00 0.00 N flip ATOM 0 H ASN A 74 -4.626 5.949 -6.518 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.478 7.444 -4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.108 8.385 -6.000 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.331 7.264 -5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.905 10.313 -4.828 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.817 10.640 -3.351 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.081 5.932 -2.412 1.00 0.00 N ATOM 1009 CA ILE A 75 -4.522 5.289 -1.195 1.00 0.00 C ATOM 1010 C ILE A 75 -5.460 6.241 -0.460 1.00 0.00 C ATOM 1011 O ILE A 75 -5.153 7.420 -0.308 1.00 0.00 O ATOM 1012 CB ILE A 75 -3.282 4.885 -0.384 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -2.862 3.465 -0.732 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -3.503 4.919 1.117 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.587 3.330 -2.217 1.00 0.00 C ATOM 0 H ILE A 75 -3.116 6.262 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.086 4.376 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.518 5.617 -0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.969 3.197 -0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.646 2.767 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.586 4.622 1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.777 5.929 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.305 4.230 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.289 2.306 -2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.489 3.576 -2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.786 4.012 -2.502 1.00 0.00 H new ATOM 1027 N ASN A 76 -6.596 5.710 -0.015 1.00 0.00 N ATOM 1028 CA ASN A 76 -7.725 6.365 0.634 1.00 0.00 C ATOM 1029 C ASN A 76 -8.942 5.661 0.066 1.00 0.00 C ATOM 1030 O ASN A 76 -9.194 5.753 -1.134 1.00 0.00 O ATOM 1031 CB ASN A 76 -7.850 7.871 0.370 1.00 0.00 C ATOM 1032 CG ASN A 76 -9.134 8.431 0.971 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -9.786 7.784 1.791 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -9.501 9.648 0.601 1.00 0.00 N ATOM 0 H ASN A 76 -6.764 4.708 -0.111 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.606 6.291 1.715 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.990 8.390 0.794 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.837 8.057 -0.704 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.341 10.070 0.997 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.944 10.164 -0.080 1.00 0.00 H new ATOM 1041 N THR A 77 -9.651 4.922 0.908 1.00 0.00 N ATOM 1042 CA THR A 77 -10.770 4.097 0.481 1.00 0.00 C ATOM 1043 C THR A 77 -12.044 4.725 1.087 1.00 0.00 C ATOM 1044 O THR A 77 -13.129 4.140 1.072 1.00 0.00 O ATOM 1045 CB THR A 77 -10.441 2.661 0.938 1.00 0.00 C ATOM 1046 OG1 THR A 77 -10.201 1.809 -0.171 1.00 0.00 O ATOM 1047 CG2 THR A 77 -11.518 1.946 1.749 1.00 0.00 C ATOM 0 H THR A 77 -9.465 4.878 1.910 1.00 0.00 H new ATOM 0 HA THR A 77 -10.943 4.050 -0.594 1.00 0.00 H new ATOM 0 HB THR A 77 -9.570 2.821 1.573 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.463 0.893 0.058 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.172 0.946 2.012 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.723 2.510 2.659 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.430 1.870 1.156 1.00 0.00 H new ATOM 1055 N GLY A 78 -11.910 5.918 1.669 1.00 0.00 N ATOM 1056 CA GLY A 78 -12.809 6.495 2.638 1.00 0.00 C ATOM 1057 C GLY A 78 -11.980 6.730 3.896 1.00 0.00 C ATOM 1058 O GLY A 78 -11.828 7.872 4.336 1.00 0.00 O ATOM 0 H GLY A 78 -11.124 6.532 1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.232 7.430 2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.645 5.826 2.841 1.00 0.00 H new ATOM 1062 N PHE A 79 -11.429 5.655 4.469 1.00 0.00 N ATOM 1063 CA PHE A 79 -10.825 5.717 5.792 1.00 0.00 C ATOM 1064 C PHE A 79 -9.406 6.232 5.768 1.00 0.00 C ATOM 1065 O PHE A 79 -8.717 6.176 4.747 1.00 0.00 O ATOM 1066 CB PHE A 79 -10.931 4.381 6.531 1.00 0.00 C ATOM 1067 CG PHE A 79 -10.356 3.158 5.845 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -8.999 2.845 6.029 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -11.213 2.212 5.253 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -8.496 1.601 5.626 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -10.710 0.963 4.848 1.00 0.00 C ATOM 1072 CZ PHE A 79 -9.347 0.672 5.015 1.00 0.00 C ATOM 0 H PHE A 79 -11.392 4.734 4.032 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.405 6.448 6.355 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -10.436 4.490 7.496 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -11.985 4.190 6.733 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.339 3.568 6.484 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.258 2.445 5.110 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.456 1.359 5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.371 0.230 4.410 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.953 -0.273 4.671 1.00 0.00 H new ATOM 1082 N TYR A 80 -8.992 6.753 6.921 1.00 0.00 N ATOM 1083 CA TYR A 80 -7.614 7.144 7.122 1.00 0.00 C ATOM 1084 C TYR A 80 -6.791 5.875 7.285 1.00 0.00 C ATOM 1085 O TYR A 80 -7.194 4.986 8.021 1.00 0.00 O ATOM 1086 CB TYR A 80 -7.462 8.050 8.342 1.00 0.00 C ATOM 1087 CG TYR A 80 -6.034 8.497 8.585 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -5.537 9.632 7.922 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -5.179 7.741 9.411 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -4.215 10.053 8.143 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -3.850 8.156 9.614 1.00 0.00 C ATOM 1092 CZ TYR A 80 -3.378 9.328 9.006 1.00 0.00 C ATOM 1093 OH TYR A 80 -2.128 9.789 9.302 1.00 0.00 O ATOM 0 H TYR A 80 -9.598 6.911 7.726 1.00 0.00 H new ATOM 0 HA TYR A 80 -7.264 7.717 6.263 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.093 8.929 8.213 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.825 7.523 9.224 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.172 10.181 7.242 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.544 6.843 9.888 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.842 10.937 7.648 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.192 7.571 10.239 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.686 9.165 9.914 1.00 0.00 H new ATOM 1103 N ILE A 81 -5.656 5.780 6.607 1.00 0.00 N ATOM 1104 CA ILE A 81 -4.933 4.532 6.444 1.00 0.00 C ATOM 1105 C ILE A 81 -3.743 4.520 7.394 1.00 0.00 C ATOM 1106 O ILE A 81 -3.010 5.507 7.442 1.00 0.00 O ATOM 1107 CB ILE A 81 -4.508 4.321 4.996 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -4.071 5.653 4.370 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -5.649 3.628 4.226 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -5.238 6.367 3.688 1.00 0.00 C ATOM 0 H ILE A 81 -5.209 6.576 6.151 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.590 3.699 6.694 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.640 3.664 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.651 6.298 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.280 5.471 3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.348 3.475 3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.866 2.664 4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.541 4.254 4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.889 7.305 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.641 5.733 2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.018 6.572 4.422 1.00 0.00 H new ATOM 1122 N ARG A 82 -3.594 3.463 8.194 1.00 0.00 N ATOM 1123 CA ARG A 82 -2.683 3.477 9.331 1.00 0.00 C ATOM 1124 C ARG A 82 -1.811 2.245 9.560 1.00 0.00 C ATOM 1125 O ARG A 82 -0.805 2.339 10.260 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.456 3.874 10.575 1.00 0.00 C ATOM 1127 CG ARG A 82 -2.601 4.749 11.482 1.00 0.00 C ATOM 1128 CD ARG A 82 -3.544 5.448 12.451 1.00 0.00 C ATOM 1129 NE ARG A 82 -2.815 6.372 13.318 1.00 0.00 N ATOM 1130 CZ ARG A 82 -3.415 7.355 13.998 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -4.748 7.446 14.016 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -2.696 8.286 14.622 1.00 0.00 N ATOM 0 H ARG A 82 -4.097 2.584 8.071 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.928 4.221 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.361 4.411 10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.771 2.981 11.114 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.872 4.146 12.022 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.041 5.478 10.897 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.306 5.992 11.893 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.062 4.706 13.059 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.805 6.262 13.408 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.313 6.764 13.510 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.201 8.198 14.536 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.677 8.254 14.584 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.164 9.031 15.138 1.00 0.00 H new ATOM 1146 N SER A 83 -2.154 1.085 9.008 1.00 0.00 N ATOM 1147 CA SER A 83 -1.204 -0.025 8.933 1.00 0.00 C ATOM 1148 C SER A 83 -1.406 -0.748 7.607 1.00 0.00 C ATOM 1149 O SER A 83 -2.466 -0.581 7.008 1.00 0.00 O ATOM 1150 CB SER A 83 -1.374 -0.989 10.109 1.00 0.00 C ATOM 1151 OG SER A 83 -1.728 -0.340 11.327 1.00 0.00 O ATOM 0 H SER A 83 -3.072 0.888 8.609 1.00 0.00 H new ATOM 0 HA SER A 83 -0.189 0.368 8.990 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.142 -1.722 9.860 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.444 -1.539 10.256 1.00 0.00 H new ATOM 0 HG SER A 83 -2.671 -0.074 11.294 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.450 -1.568 7.166 1.00 0.00 N ATOM 1158 CA TYR A 84 -0.638 -2.415 5.993 1.00 0.00 C ATOM 1159 C TYR A 84 0.233 -3.662 6.017 1.00 0.00 C ATOM 1160 O TYR A 84 1.223 -3.701 6.740 1.00 0.00 O ATOM 1161 CB TYR A 84 -0.453 -1.636 4.681 1.00 0.00 C ATOM 1162 CG TYR A 84 0.937 -1.595 4.058 1.00 0.00 C ATOM 1163 CD1 TYR A 84 2.084 -1.326 4.830 1.00 0.00 C ATOM 1164 CD2 TYR A 84 1.068 -1.753 2.666 1.00 0.00 C ATOM 1165 CE1 TYR A 84 3.325 -1.108 4.203 1.00 0.00 C ATOM 1166 CE2 TYR A 84 2.317 -1.581 2.047 1.00 0.00 C ATOM 1167 CZ TYR A 84 3.422 -1.165 2.804 1.00 0.00 C ATOM 1168 OH TYR A 84 4.566 -0.807 2.160 1.00 0.00 O ATOM 0 H TYR A 84 0.465 -1.661 7.608 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.674 -2.752 6.036 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.136 -2.058 3.944 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.770 -0.608 4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.011 -1.287 5.907 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.204 -2.008 2.071 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.202 -0.897 4.798 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.426 -1.769 0.989 1.00 0.00 H new ATOM 0 HH TYR A 84 4.444 -0.913 1.193 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.125 -4.663 5.216 1.00 0.00 N ATOM 1179 CA ARG A 85 0.675 -5.856 4.973 1.00 0.00 C ATOM 1180 C ARG A 85 0.352 -6.342 3.561 1.00 0.00 C ATOM 1181 O ARG A 85 -0.816 -6.467 3.204 1.00 0.00 O ATOM 1182 CB ARG A 85 0.344 -6.915 6.034 1.00 0.00 C ATOM 1183 CG ARG A 85 1.299 -8.111 6.084 1.00 0.00 C ATOM 1184 CD ARG A 85 1.194 -9.051 4.890 1.00 0.00 C ATOM 1185 NE ARG A 85 1.408 -10.458 5.271 1.00 0.00 N ATOM 1186 CZ ARG A 85 2.467 -11.244 5.021 1.00 0.00 C ATOM 1187 NH1 ARG A 85 3.533 -10.763 4.375 1.00 0.00 N ATOM 1188 NH2 ARG A 85 2.449 -12.510 5.423 1.00 0.00 N ATOM 0 H ARG A 85 -1.007 -4.664 4.704 1.00 0.00 H new ATOM 0 HA ARG A 85 1.743 -5.649 5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.337 -6.435 7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.665 -7.284 5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.322 -7.741 6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.105 -8.677 6.995 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.211 -8.946 4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.929 -8.764 4.138 1.00 0.00 H new ATOM 0 HE ARG A 85 0.649 -10.893 5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.547 -9.791 4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.333 -11.368 4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.635 -12.877 5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.249 -13.115 5.238 1.00 0.00 H new ATOM 1202 N ARG A 86 1.371 -6.583 2.738 1.00 0.00 N ATOM 1203 CA ARG A 86 1.193 -7.057 1.370 1.00 0.00 C ATOM 1204 C ARG A 86 0.411 -8.374 1.265 1.00 0.00 C ATOM 1205 O ARG A 86 0.634 -9.280 2.067 1.00 0.00 O ATOM 1206 CB ARG A 86 2.571 -7.275 0.764 1.00 0.00 C ATOM 1207 CG ARG A 86 3.349 -5.973 0.585 1.00 0.00 C ATOM 1208 CD ARG A 86 2.746 -5.063 -0.487 1.00 0.00 C ATOM 1209 NE ARG A 86 2.494 -5.802 -1.731 1.00 0.00 N ATOM 1210 CZ ARG A 86 3.458 -6.134 -2.601 1.00 0.00 C ATOM 1211 NH1 ARG A 86 4.697 -5.680 -2.408 1.00 0.00 N ATOM 1212 NH2 ARG A 86 3.167 -6.916 -3.637 1.00 0.00 N ATOM 0 H ARG A 86 2.347 -6.454 3.004 1.00 0.00 H new ATOM 0 HA ARG A 86 0.612 -6.300 0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.142 -7.950 1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.464 -7.766 -0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.377 -5.439 1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.380 -6.205 0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.813 -4.634 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.423 -4.232 -0.685 1.00 0.00 H new ATOM 0 HE ARG A 86 1.535 -6.077 -1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.903 -5.086 -1.605 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.438 -5.926 -3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.215 -7.259 -3.765 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.896 -7.173 -4.303 1.00 0.00 H new ATOM 1226 N VAL A 87 -0.434 -8.519 0.238 1.00 0.00 N ATOM 1227 CA VAL A 87 -1.127 -9.772 -0.047 1.00 0.00 C ATOM 1228 C VAL A 87 -0.921 -10.261 -1.479 1.00 0.00 C ATOM 1229 O VAL A 87 -1.335 -11.382 -1.763 1.00 0.00 O ATOM 1230 CB VAL A 87 -2.605 -9.730 0.373 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -2.732 -9.587 1.892 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -3.408 -8.632 -0.327 1.00 0.00 C ATOM 0 H VAL A 87 -0.654 -7.768 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.656 -10.528 0.581 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.034 -10.681 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.786 -9.559 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.252 -10.436 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.249 -8.664 2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.442 -8.661 0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.975 -7.659 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.380 -8.792 -1.405 1.00 0.00 H new ATOM 1242 N GLU A 88 -0.209 -9.486 -2.306 1.00 0.00 N ATOM 1243 CA GLU A 88 0.144 -9.796 -3.687 1.00 0.00 C ATOM 1244 C GLU A 88 -0.980 -9.283 -4.572 1.00 0.00 C ATOM 1245 CB GLU A 88 0.346 -11.288 -3.969 1.00 0.00 C ATOM 1246 CG GLU A 88 1.251 -11.592 -5.167 1.00 0.00 C ATOM 1247 CD GLU A 88 2.715 -11.396 -4.843 1.00 0.00 C ATOM 1248 OE1 GLU A 88 3.284 -12.294 -4.188 1.00 0.00 O ATOM 1249 OE2 GLU A 88 3.278 -10.369 -5.269 1.00 0.00 O ATOM 0 H GLU A 88 0.153 -8.580 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 88 1.102 -9.318 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.769 -11.758 -3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.628 -11.748 -4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 88 1.087 -12.619 -5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.976 -10.946 -6.001 1.00 0.00 H new