USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 731 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 55 TYR OH : rot 67:sc= 0.852 USER MOD Set 1.2: A 69 THR OG1 : rot -86:sc= 0.0851 USER MOD Set 1.3: A 80 TYR OH : rot -41:sc= 0.488 USER MOD Set 2.1: A 26 THR OG1 : rot -38:sc= 1.29 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 0.904 K(o=2.2,f=-5.4!) USER MOD Single : A 12 MET CE :methyl 171:sc= -0.45 (180deg=-0.596) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.476 K(o=-0.48,f=-3.4!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 36:sc= 0.733 USER MOD Single : A 29 CYS SG : rot -90:sc= 0.0923 USER MOD Single : A 34 ASN : amide:sc= -0.0376 K(o=-0.038,f=-1.9!) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= 0.772 (180deg=0.409) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 1.86 (180deg=1.83) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.442 USER MOD Single : A 54 HIS : no HD1:sc= -0.0449 K(o=-0.045,f=-1.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.14) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 65 CYS SG : rot -170:sc= 0.392 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc=-0.00937 USER MOD Single : A 73 THR OG1 : rot -52:sc= 0.787 USER MOD Single : A 79 ASN : amide:sc= -0.0166 K(o=-0.017,f=-1.7) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 171:sc= 0 (180deg=-0.105) USER MOD Single : A 86 ASN : amide:sc= -0.58! C(o=-0.58!,f=-11!) USER MOD Single : A 88 GLN : amide:sc= -0.0911 X(o=-0.091,f=-0.15) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot -110:sc= -0.0911 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 157:sc= 0 (180deg=-0.665) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.627 9.871 4.172 1.00 0.00 N ATOM 67 CA ALA A 7 -3.005 10.108 3.767 1.00 0.00 C ATOM 68 C ALA A 7 -3.671 11.146 4.666 1.00 0.00 C ATOM 69 O ALA A 7 -3.398 11.211 5.863 1.00 0.00 O ATOM 70 CB ALA A 7 -3.797 8.810 3.781 1.00 0.00 C ATOM 0 HA ALA A 7 -2.993 10.498 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.825 9.007 3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.343 8.099 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.792 8.391 4.787 1.00 0.00 H new ATOM 76 N PRO A 8 -4.544 11.956 4.076 1.00 0.00 N ATOM 77 CA PRO A 8 -5.234 13.005 4.818 1.00 0.00 C ATOM 78 C PRO A 8 -5.979 12.433 6.019 1.00 0.00 C ATOM 79 O PRO A 8 -6.708 11.445 5.897 1.00 0.00 O ATOM 80 CB PRO A 8 -6.188 13.624 3.790 1.00 0.00 C ATOM 81 CG PRO A 8 -5.540 13.356 2.474 1.00 0.00 C ATOM 82 CD PRO A 8 -4.889 12.007 2.617 1.00 0.00 C ATOM 0 HA PRO A 8 -4.551 13.744 5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.178 13.172 3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.316 14.693 3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.274 13.355 1.668 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.804 14.124 2.235 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.564 11.200 2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.003 11.917 1.989 1.00 0.00 H new ATOM 90 N PHE A 9 -5.790 13.052 7.178 1.00 0.00 N ATOM 91 CA PHE A 9 -6.568 12.714 8.362 1.00 0.00 C ATOM 92 C PHE A 9 -6.628 13.889 9.332 1.00 0.00 C ATOM 93 O PHE A 9 -5.599 14.408 9.760 1.00 0.00 O ATOM 94 CB PHE A 9 -5.976 11.486 9.058 1.00 0.00 C ATOM 95 CG PHE A 9 -6.694 11.100 10.319 1.00 0.00 C ATOM 96 CD1 PHE A 9 -7.880 10.383 10.269 1.00 0.00 C ATOM 97 CD2 PHE A 9 -6.185 11.452 11.560 1.00 0.00 C ATOM 98 CE1 PHE A 9 -8.541 10.027 11.429 1.00 0.00 C ATOM 99 CE2 PHE A 9 -6.842 11.098 12.721 1.00 0.00 C ATOM 100 CZ PHE A 9 -8.023 10.384 12.655 1.00 0.00 C ATOM 0 H PHE A 9 -5.103 13.792 7.323 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.584 12.483 8.042 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.996 10.643 8.367 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.930 11.682 9.292 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.292 10.099 9.312 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.262 12.010 11.619 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.464 9.469 11.375 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.433 11.379 13.680 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.539 10.106 13.562 1.00 0.00 H new ATOM 110 N PHE A 10 -7.843 14.300 9.677 1.00 0.00 N ATOM 111 CA PHE A 10 -8.045 15.464 10.535 1.00 0.00 C ATOM 112 C PHE A 10 -7.598 15.175 11.964 1.00 0.00 C ATOM 113 O PHE A 10 -8.381 14.693 12.782 1.00 0.00 O ATOM 114 CB PHE A 10 -9.513 15.892 10.519 1.00 0.00 C ATOM 115 CG PHE A 10 -9.950 16.506 9.219 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.336 17.650 8.733 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.978 15.940 8.480 1.00 0.00 C ATOM 118 CE1 PHE A 10 -9.737 18.216 7.539 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.381 16.504 7.284 1.00 0.00 C ATOM 120 CZ PHE A 10 -10.761 17.641 6.813 1.00 0.00 C ATOM 0 H PHE A 10 -8.705 13.845 9.376 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.436 16.279 10.144 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -10.138 15.024 10.728 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.682 16.608 11.324 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.534 18.104 9.295 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.469 15.049 8.843 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.250 19.108 7.173 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.183 16.053 6.718 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.075 18.081 5.878 1.00 0.00 H new ATOM 130 N GLU A 11 -6.338 15.479 12.256 1.00 0.00 N ATOM 131 CA GLU A 11 -5.815 15.350 13.608 1.00 0.00 C ATOM 132 C GLU A 11 -6.547 16.275 14.572 1.00 0.00 C ATOM 133 O GLU A 11 -6.522 16.074 15.785 1.00 0.00 O ATOM 134 CB GLU A 11 -4.313 15.648 13.632 1.00 0.00 C ATOM 135 CG GLU A 11 -3.953 17.089 13.303 1.00 0.00 C ATOM 136 CD GLU A 11 -2.463 17.290 13.285 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.836 17.031 14.283 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.937 17.593 12.240 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.660 15.817 11.572 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.978 14.322 13.932 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.923 15.405 14.620 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.813 14.990 12.921 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.370 17.358 12.332 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.403 17.755 14.039 1.00 0.00 H new ATOM 145 N MET A 12 -7.197 17.296 14.024 1.00 0.00 N ATOM 146 CA MET A 12 -8.069 18.164 14.809 1.00 0.00 C ATOM 147 C MET A 12 -9.354 18.478 14.056 1.00 0.00 C ATOM 148 O MET A 12 -9.351 19.246 13.095 1.00 0.00 O ATOM 149 CB MET A 12 -7.342 19.455 15.174 1.00 0.00 C ATOM 150 CG MET A 12 -8.152 20.412 16.037 1.00 0.00 C ATOM 151 SD MET A 12 -7.258 21.933 16.416 1.00 0.00 S ATOM 152 CE MET A 12 -7.362 22.786 14.845 1.00 0.00 C ATOM 0 H MET A 12 -7.136 17.544 13.036 1.00 0.00 H new ATOM 0 HA MET A 12 -8.334 17.636 15.725 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.421 19.203 15.699 1.00 0.00 H new ATOM 0 HB3 MET A 12 -7.055 19.968 14.256 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.081 20.660 15.524 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.425 19.914 16.967 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.997 23.807 14.960 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.753 22.264 14.107 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.399 22.807 14.510 1.00 0.00 H new ATOM 162 N LYS A 13 -10.457 17.878 14.502 1.00 0.00 N ATOM 163 CA LYS A 13 -11.729 18.002 13.801 1.00 0.00 C ATOM 164 C LYS A 13 -12.553 19.162 14.352 1.00 0.00 C ATOM 165 O LYS A 13 -12.175 19.784 15.347 1.00 0.00 O ATOM 166 CB LYS A 13 -12.523 16.698 13.901 1.00 0.00 C ATOM 167 CG LYS A 13 -11.881 15.514 13.188 1.00 0.00 C ATOM 168 CD LYS A 13 -12.775 14.286 13.241 1.00 0.00 C ATOM 169 CE LYS A 13 -12.138 13.105 12.524 1.00 0.00 C ATOM 170 NZ LYS A 13 -13.010 11.900 12.550 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.493 17.303 15.344 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.514 18.207 12.752 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.653 16.446 14.953 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.518 16.860 13.487 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.682 15.777 12.149 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.920 15.287 13.649 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.970 14.021 14.280 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.738 14.515 12.784 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.929 13.379 11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.182 12.870 12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.538 11.119 12.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.189 11.622 13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.913 12.115 12.081 1.00 0.00 H new ATOM 184 N LEU A 14 -13.675 19.447 13.701 1.00 0.00 N ATOM 185 CA LEU A 14 -14.523 20.565 14.091 1.00 0.00 C ATOM 186 C LEU A 14 -15.432 20.187 15.252 1.00 0.00 C ATOM 187 O LEU A 14 -15.771 19.019 15.435 1.00 0.00 O ATOM 188 CB LEU A 14 -15.355 21.042 12.894 1.00 0.00 C ATOM 189 CG LEU A 14 -14.547 21.635 11.732 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.461 21.896 10.542 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.872 22.921 12.186 1.00 0.00 C ATOM 0 H LEU A 14 -14.018 18.918 12.899 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.879 21.380 14.421 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.938 20.201 12.518 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.066 21.792 13.241 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.779 20.926 11.423 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.879 22.317 9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.916 20.959 10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.242 22.599 10.831 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.298 23.342 11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.630 23.637 12.503 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.204 22.706 13.020 1.00 0.00 H new ATOM 203 N LYS A 15 -15.824 21.185 16.038 1.00 0.00 N ATOM 204 CA LYS A 15 -16.733 20.966 17.158 1.00 0.00 C ATOM 205 C LYS A 15 -18.129 21.495 16.847 1.00 0.00 C ATOM 206 O LYS A 15 -18.313 22.259 15.900 1.00 0.00 O ATOM 207 CB LYS A 15 -16.191 21.627 18.426 1.00 0.00 C ATOM 208 CG LYS A 15 -14.840 21.095 18.885 1.00 0.00 C ATOM 209 CD LYS A 15 -14.389 21.766 20.174 1.00 0.00 C ATOM 210 CE LYS A 15 -13.073 21.187 20.669 1.00 0.00 C ATOM 211 NZ LYS A 15 -12.635 21.813 21.946 1.00 0.00 N1+ ATOM 0 H LYS A 15 -15.526 22.153 15.920 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.805 19.891 17.323 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.106 22.700 18.254 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.914 21.490 19.230 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.904 20.018 19.037 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.097 21.264 18.106 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.278 22.838 20.009 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.155 21.639 20.939 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.180 20.112 20.810 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.304 21.334 19.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.734 21.390 22.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.508 22.836 21.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.357 21.651 22.677 1.00 0.00 H new ATOM 225 N HIS A 16 -19.103 21.083 17.651 1.00 0.00 N ATOM 226 CA HIS A 16 -20.466 21.584 17.518 1.00 0.00 C ATOM 227 C HIS A 16 -20.674 22.838 18.355 1.00 0.00 C ATOM 228 O HIS A 16 -20.699 22.776 19.587 1.00 0.00 O ATOM 229 CB HIS A 16 -21.482 20.511 17.925 1.00 0.00 C ATOM 230 CG HIS A 16 -22.907 20.943 17.771 1.00 0.00 C ATOM 231 ND1 HIS A 16 -23.961 20.232 18.306 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.453 22.010 17.143 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.095 20.845 18.014 1.00 0.00 C ATOM 234 NE2 HIS A 16 -24.813 21.926 17.310 1.00 0.00 N ATOM 0 H HIS A 16 -18.974 20.404 18.401 1.00 0.00 H new ATOM 0 HA HIS A 16 -20.622 21.838 16.470 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.315 19.618 17.323 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.306 20.232 18.964 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -23.878 19.369 18.843 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -22.919 22.783 16.610 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.083 20.518 18.302 1.00 0.00 H new ATOM 242 N TYR A 17 -20.825 23.976 17.687 1.00 0.00 N ATOM 243 CA TYR A 17 -20.935 25.258 18.369 1.00 0.00 C ATOM 244 C TYR A 17 -22.391 25.691 18.500 1.00 0.00 C ATOM 245 O TYR A 17 -23.206 25.426 17.616 1.00 0.00 O ATOM 246 CB TYR A 17 -20.134 26.330 17.626 1.00 0.00 C ATOM 247 CG TYR A 17 -18.641 26.086 17.622 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.837 26.584 18.637 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.040 25.361 16.604 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.473 26.364 18.639 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.677 25.135 16.596 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.897 25.639 17.615 1.00 0.00 C ATOM 253 OH TYR A 17 -14.538 25.418 17.611 1.00 0.00 O ATOM 0 H TYR A 17 -20.874 24.036 16.670 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.524 25.138 19.371 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.486 26.384 16.596 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -20.333 27.300 18.082 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -18.285 27.153 19.439 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.648 24.966 15.803 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.861 26.757 19.437 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.225 24.567 15.796 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.295 24.890 16.822 1.00 0.00 H new ATOM 263 N LYS A 18 -22.708 26.356 19.604 1.00 0.00 N ATOM 264 CA LYS A 18 -24.039 26.916 19.806 1.00 0.00 C ATOM 265 C LYS A 18 -24.000 28.438 19.824 1.00 0.00 C ATOM 266 O LYS A 18 -23.781 29.051 20.870 1.00 0.00 O ATOM 267 CB LYS A 18 -24.648 26.390 21.107 1.00 0.00 C ATOM 268 CG LYS A 18 -24.891 24.886 21.124 1.00 0.00 C ATOM 269 CD LYS A 18 -25.604 24.456 22.397 1.00 0.00 C ATOM 270 CE LYS A 18 -25.848 22.954 22.415 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.676 22.538 23.580 1.00 0.00 N1+ ATOM 0 H LYS A 18 -22.060 26.521 20.375 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.663 26.602 18.970 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.987 26.649 21.934 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.594 26.901 21.284 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.487 24.602 20.257 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.939 24.361 21.042 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.007 24.740 23.264 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.555 24.982 22.479 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.345 22.656 21.492 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -24.892 22.432 22.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -26.819 21.508 23.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.190 22.799 24.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.599 23.016 23.539 1.00 0.00 H new ATOM 285 N ILE A 19 -24.215 29.043 18.661 1.00 0.00 N ATOM 286 CA ILE A 19 -23.956 30.469 18.480 1.00 0.00 C ATOM 287 C ILE A 19 -25.254 31.245 18.324 1.00 0.00 C ATOM 288 O ILE A 19 -26.187 30.792 17.663 1.00 0.00 O ATOM 289 CB ILE A 19 -23.062 30.726 17.252 1.00 0.00 C ATOM 290 CG1 ILE A 19 -21.784 29.888 17.336 1.00 0.00 C ATOM 291 CG2 ILE A 19 -22.726 32.205 17.141 1.00 0.00 C ATOM 292 CD1 ILE A 19 -20.944 30.177 18.560 1.00 0.00 C ATOM 0 H ILE A 19 -24.568 28.570 17.829 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.436 30.814 19.374 1.00 0.00 H new ATOM 0 HB ILE A 19 -23.609 30.429 16.357 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.052 28.832 17.332 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -21.184 30.068 16.444 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -22.094 32.370 16.268 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -23.646 32.780 17.037 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -22.197 32.526 18.038 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -20.056 29.545 18.549 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -20.644 31.225 18.556 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -21.526 29.970 19.458 1.00 0.00 H new ATOM 304 N PHE A 20 -25.308 32.425 18.939 1.00 0.00 N ATOM 305 CA PHE A 20 -26.486 33.279 18.854 1.00 0.00 C ATOM 306 C PHE A 20 -26.611 33.913 17.478 1.00 0.00 C ATOM 307 O PHE A 20 -25.611 34.214 16.830 1.00 0.00 O ATOM 308 CB PHE A 20 -26.437 34.365 19.931 1.00 0.00 C ATOM 309 CG PHE A 20 -26.783 33.872 21.307 1.00 0.00 C ATOM 310 CD1 PHE A 20 -28.091 33.552 21.636 1.00 0.00 C ATOM 311 CD2 PHE A 20 -25.800 33.724 22.274 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.411 33.099 22.901 1.00 0.00 C ATOM 313 CE2 PHE A 20 -26.117 33.270 23.541 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.422 32.958 23.854 1.00 0.00 C ATOM 0 H PHE A 20 -24.549 32.809 19.501 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.363 32.653 19.019 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.437 34.798 19.951 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.125 35.165 19.658 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -28.869 33.658 20.895 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -24.775 33.966 22.035 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.435 32.855 23.145 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.342 33.160 24.285 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.671 32.604 24.843 1.00 0.00 H new ATOM 324 N GLU A 21 -27.850 34.113 17.035 1.00 0.00 N ATOM 325 CA GLU A 21 -28.108 34.732 15.740 1.00 0.00 C ATOM 326 C GLU A 21 -27.416 36.084 15.626 1.00 0.00 C ATOM 327 O GLU A 21 -27.667 36.989 16.420 1.00 0.00 O ATOM 328 CB GLU A 21 -29.613 34.892 15.514 1.00 0.00 C ATOM 329 CG GLU A 21 -29.989 35.433 14.141 1.00 0.00 C ATOM 330 CD GLU A 21 -31.479 35.578 14.000 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.183 35.187 14.900 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.909 36.181 13.045 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.689 33.855 17.554 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.701 34.076 14.971 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.094 33.924 15.654 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -30.014 35.560 16.276 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.511 36.400 13.986 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.612 34.763 13.368 1.00 0.00 H new ATOM 339 N GLY A 22 -26.540 36.213 14.635 1.00 0.00 N ATOM 340 CA GLY A 22 -25.857 37.473 14.376 1.00 0.00 C ATOM 341 C GLY A 22 -24.503 37.522 15.072 1.00 0.00 C ATOM 342 O GLY A 22 -23.687 38.404 14.805 1.00 0.00 O ATOM 0 H GLY A 22 -26.287 35.458 13.998 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.721 37.601 13.302 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.475 38.302 14.720 1.00 0.00 H new ATOM 346 N MET A 23 -24.269 36.568 15.966 1.00 0.00 N ATOM 347 CA MET A 23 -23.036 36.528 16.739 1.00 0.00 C ATOM 348 C MET A 23 -21.894 35.935 15.927 1.00 0.00 C ATOM 349 O MET A 23 -22.066 34.931 15.234 1.00 0.00 O ATOM 350 CB MET A 23 -23.245 35.726 18.022 1.00 0.00 C ATOM 351 CG MET A 23 -22.010 35.618 18.905 1.00 0.00 C ATOM 352 SD MET A 23 -22.326 34.717 20.435 1.00 0.00 S ATOM 353 CE MET A 23 -20.655 34.338 20.956 1.00 0.00 C ATOM 0 H MET A 23 -24.920 35.810 16.173 1.00 0.00 H new ATOM 0 HA MET A 23 -22.767 37.552 16.998 1.00 0.00 H new ATOM 0 HB2 MET A 23 -24.048 36.187 18.597 1.00 0.00 H new ATOM 0 HB3 MET A 23 -23.577 34.722 17.758 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.215 35.118 18.351 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.651 36.619 19.145 1.00 0.00 H new ATOM 0 HE1 MET A 23 -20.683 33.780 21.892 1.00 0.00 H new ATOM 0 HE2 MET A 23 -20.163 33.738 20.191 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.101 35.265 21.103 1.00 0.00 H new ATOM 363 N PRO A 24 -20.726 36.559 16.020 1.00 0.00 N ATOM 364 CA PRO A 24 -19.534 36.055 15.342 1.00 0.00 C ATOM 365 C PRO A 24 -19.024 34.778 16.000 1.00 0.00 C ATOM 366 O PRO A 24 -19.171 34.589 17.205 1.00 0.00 O ATOM 367 CB PRO A 24 -18.525 37.203 15.456 1.00 0.00 C ATOM 368 CG PRO A 24 -18.924 37.924 16.697 1.00 0.00 C ATOM 369 CD PRO A 24 -20.424 37.836 16.748 1.00 0.00 C ATOM 0 HA PRO A 24 -19.723 35.781 14.304 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.503 36.829 15.525 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.567 37.857 14.585 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.474 37.467 17.578 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.592 38.962 16.672 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.790 37.809 17.774 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.893 38.694 16.265 1.00 0.00 H new ATOM 377 N VAL A 25 -18.423 33.905 15.197 1.00 0.00 N ATOM 378 CA VAL A 25 -17.831 32.676 15.709 1.00 0.00 C ATOM 379 C VAL A 25 -16.627 32.258 14.874 1.00 0.00 C ATOM 380 O VAL A 25 -16.674 32.277 13.644 1.00 0.00 O ATOM 381 CB VAL A 25 -18.852 31.523 15.732 1.00 0.00 C ATOM 382 CG1 VAL A 25 -19.388 31.257 14.333 1.00 0.00 C ATOM 383 CG2 VAL A 25 -18.221 30.263 16.307 1.00 0.00 C ATOM 0 H VAL A 25 -18.334 34.027 14.188 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.509 32.883 16.730 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.685 31.815 16.371 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.108 30.439 14.369 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.877 32.155 13.954 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.564 30.986 13.673 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -18.957 29.459 16.316 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.370 29.969 15.693 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.884 30.457 17.325 1.00 0.00 H new ATOM 393 N THR A 26 -15.547 31.878 15.551 1.00 0.00 N ATOM 394 CA THR A 26 -14.344 31.406 14.872 1.00 0.00 C ATOM 395 C THR A 26 -14.099 29.927 15.151 1.00 0.00 C ATOM 396 O THR A 26 -14.122 29.492 16.303 1.00 0.00 O ATOM 397 CB THR A 26 -13.103 32.211 15.299 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.310 33.601 15.013 1.00 0.00 O ATOM 399 CG2 THR A 26 -11.870 31.723 14.554 1.00 0.00 C ATOM 0 H THR A 26 -15.480 31.888 16.569 1.00 0.00 H new ATOM 0 HA THR A 26 -14.509 31.549 13.804 1.00 0.00 H new ATOM 0 HB THR A 26 -12.948 32.072 16.369 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.786 33.692 14.161 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.002 32.303 14.868 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.703 30.669 14.778 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.020 31.847 13.482 1.00 0.00 H new ATOM 407 N PHE A 27 -13.865 29.164 14.092 1.00 0.00 N ATOM 408 CA PHE A 27 -13.572 27.740 14.224 1.00 0.00 C ATOM 409 C PHE A 27 -12.605 27.275 13.141 1.00 0.00 C ATOM 410 O PHE A 27 -12.545 27.857 12.059 1.00 0.00 O ATOM 411 CB PHE A 27 -14.862 26.920 14.166 1.00 0.00 C ATOM 412 CG PHE A 27 -15.731 27.242 12.983 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.629 28.299 13.031 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.651 26.490 11.821 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.430 28.595 11.945 1.00 0.00 C ATOM 416 CE2 PHE A 27 -16.451 26.786 10.733 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.341 27.837 10.795 1.00 0.00 C ATOM 0 H PHE A 27 -13.872 29.506 13.131 1.00 0.00 H new ATOM 0 HA PHE A 27 -13.098 27.585 15.193 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.607 25.860 14.141 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.431 27.089 15.080 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.702 28.897 13.927 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.957 25.665 11.765 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -18.126 29.419 11.996 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.379 26.193 9.833 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.967 28.067 9.946 1.00 0.00 H new ATOM 427 N THR A 28 -11.851 26.224 13.441 1.00 0.00 N ATOM 428 CA THR A 28 -10.709 25.841 12.619 1.00 0.00 C ATOM 429 C THR A 28 -10.484 24.335 12.654 1.00 0.00 C ATOM 430 O THR A 28 -10.904 23.656 13.594 1.00 0.00 O ATOM 431 CB THR A 28 -9.421 26.552 13.074 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.347 26.214 12.187 1.00 0.00 O ATOM 433 CG2 THR A 28 -9.055 26.137 14.491 1.00 0.00 C ATOM 0 H THR A 28 -12.010 25.621 14.248 1.00 0.00 H new ATOM 0 HA THR A 28 -10.941 26.147 11.599 1.00 0.00 H new ATOM 0 HB THR A 28 -9.591 27.628 13.055 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.692 26.125 11.274 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.142 26.649 14.796 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.865 26.405 15.169 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.895 25.059 14.525 1.00 0.00 H new ATOM 441 N CYS A 29 -9.819 23.815 11.627 1.00 0.00 N ATOM 442 CA CYS A 29 -9.563 22.384 11.526 1.00 0.00 C ATOM 443 C CYS A 29 -8.165 22.110 10.991 1.00 0.00 C ATOM 444 O CYS A 29 -7.661 22.845 10.138 1.00 0.00 O ATOM 445 CB CYS A 29 -10.623 21.921 10.525 1.00 0.00 C ATOM 446 SG CYS A 29 -10.804 20.125 10.401 1.00 0.00 S ATOM 0 H CYS A 29 -9.448 24.365 10.852 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.614 21.872 12.487 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.584 22.352 10.807 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.373 22.317 9.541 1.00 0.00 H new ATOM 0 HG CYS A 29 -10.007 19.671 9.480 1.00 0.00 H new ATOM 452 N ARG A 30 -7.536 21.054 11.494 1.00 0.00 N ATOM 453 CA ARG A 30 -6.164 20.731 11.128 1.00 0.00 C ATOM 454 C ARG A 30 -6.053 19.298 10.616 1.00 0.00 C ATOM 455 O ARG A 30 -6.626 18.375 11.196 1.00 0.00 O ATOM 456 CB ARG A 30 -5.190 20.995 12.266 1.00 0.00 C ATOM 457 CG ARG A 30 -3.744 20.632 11.968 1.00 0.00 C ATOM 458 CD ARG A 30 -2.791 20.962 13.060 1.00 0.00 C ATOM 459 NE ARG A 30 -1.415 20.573 12.798 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.371 20.871 13.594 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.533 21.591 14.683 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 0.827 20.440 13.241 1.00 0.00 N ATOM 0 H ARG A 30 -7.957 20.405 12.159 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.883 21.398 10.313 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.237 22.052 12.528 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.517 20.435 13.142 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.685 19.563 11.762 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.432 21.149 11.061 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.823 22.036 13.241 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.125 20.475 13.976 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.227 20.036 11.951 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.460 21.933 14.935 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.269 21.808 15.275 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.942 19.897 12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.637 20.650 13.824 1.00 0.00 H new ATOM 476 N VAL A 31 -5.313 19.123 9.528 1.00 0.00 N ATOM 477 CA VAL A 31 -5.185 17.816 8.892 1.00 0.00 C ATOM 478 C VAL A 31 -3.727 17.383 8.814 1.00 0.00 C ATOM 479 O VAL A 31 -2.870 18.130 8.345 1.00 0.00 O ATOM 480 CB VAL A 31 -5.787 17.818 7.474 1.00 0.00 C ATOM 481 CG1 VAL A 31 -5.096 18.855 6.603 1.00 0.00 C ATOM 482 CG2 VAL A 31 -5.675 16.436 6.846 1.00 0.00 C ATOM 0 H VAL A 31 -4.792 19.869 9.067 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.738 17.109 9.510 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.843 18.079 7.549 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.534 18.842 5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.225 19.844 7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.033 18.623 6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.105 16.455 5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.625 16.148 6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.214 15.713 7.458 1.00 0.00 H new ATOM 492 N ALA A 32 -3.453 16.167 9.277 1.00 0.00 N ATOM 493 CA ALA A 32 -2.104 15.615 9.226 1.00 0.00 C ATOM 494 C ALA A 32 -1.839 14.920 7.895 1.00 0.00 C ATOM 495 O ALA A 32 -1.644 13.706 7.847 1.00 0.00 O ATOM 496 CB ALA A 32 -1.882 14.651 10.385 1.00 0.00 C ATOM 0 H ALA A 32 -4.147 15.545 9.692 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.399 16.442 9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.871 14.247 10.334 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.014 15.180 11.329 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.602 13.835 10.323 1.00 0.00 H new ATOM 502 N GLY A 33 -1.839 15.697 6.820 1.00 0.00 N ATOM 503 CA GLY A 33 -1.666 15.152 5.479 1.00 0.00 C ATOM 504 C GLY A 33 -0.275 15.449 4.940 1.00 0.00 C ATOM 505 O GLY A 33 0.385 16.392 5.379 1.00 0.00 O ATOM 0 H GLY A 33 -1.957 16.710 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.829 14.074 5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.416 15.577 4.811 1.00 0.00 H new ATOM 509 N ASN A 34 0.173 14.640 3.977 1.00 0.00 N ATOM 510 CA ASN A 34 1.464 14.854 3.330 1.00 0.00 C ATOM 511 C ASN A 34 1.483 14.249 1.947 1.00 0.00 C ATOM 512 O ASN A 34 1.522 13.026 1.784 1.00 0.00 O ATOM 513 CB ASN A 34 2.594 14.248 4.212 1.00 0.00 C ATOM 514 CG ASN A 34 4.036 14.585 3.820 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.342 14.916 2.684 1.00 0.00 O ATOM 516 ND2 ASN A 34 4.974 14.491 4.725 1.00 0.00 N ATOM 0 H ASN A 34 -0.342 13.831 3.630 1.00 0.00 H new ATOM 0 HA ASN A 34 1.631 15.926 3.223 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.436 14.577 5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.485 13.163 4.205 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.943 14.693 4.478 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.737 14.216 5.678 1.00 0.00 H new ATOM 523 N PRO A 35 1.478 15.109 0.933 1.00 0.00 N ATOM 524 CA PRO A 35 1.653 16.539 1.145 1.00 0.00 C ATOM 525 C PRO A 35 0.390 17.169 1.721 1.00 0.00 C ATOM 526 O PRO A 35 -0.663 16.535 1.770 1.00 0.00 O ATOM 527 CB PRO A 35 1.987 17.087 -0.245 1.00 0.00 C ATOM 528 CG PRO A 35 2.386 15.883 -1.032 1.00 0.00 C ATOM 529 CD PRO A 35 1.562 14.752 -0.475 1.00 0.00 C ATOM 0 HA PRO A 35 2.436 16.765 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.128 17.587 -0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.794 17.818 -0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.191 16.026 -2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.452 15.681 -0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.579 14.695 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.042 13.785 -0.623 1.00 0.00 H new ATOM 537 N LYS A 36 0.506 18.421 2.156 1.00 0.00 N ATOM 538 CA LYS A 36 -0.620 19.130 2.752 1.00 0.00 C ATOM 539 C LYS A 36 -1.788 19.220 1.778 1.00 0.00 C ATOM 540 O LYS A 36 -1.688 19.852 0.728 1.00 0.00 O ATOM 541 CB LYS A 36 -0.197 20.530 3.198 1.00 0.00 C ATOM 542 CG LYS A 36 0.450 20.584 4.575 1.00 0.00 C ATOM 543 CD LYS A 36 1.674 19.682 4.647 1.00 0.00 C ATOM 544 CE LYS A 36 2.135 19.487 6.084 1.00 0.00 C ATOM 545 NZ LYS A 36 1.123 18.760 6.899 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.368 18.964 2.107 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.946 18.566 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.501 20.935 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.073 21.179 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.738 21.610 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.274 20.280 5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.441 18.714 4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.483 20.116 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.073 18.933 6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.335 20.459 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.567 18.410 7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.344 19.405 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.751 17.956 6.354 1.00 0.00 H new ATOM 559 N PRO A 37 -2.900 18.583 2.135 1.00 0.00 N ATOM 560 CA PRO A 37 -4.061 18.520 1.256 1.00 0.00 C ATOM 561 C PRO A 37 -4.585 19.914 0.937 1.00 0.00 C ATOM 562 O PRO A 37 -4.357 20.861 1.684 1.00 0.00 O ATOM 563 CB PRO A 37 -5.081 17.689 2.044 1.00 0.00 C ATOM 564 CG PRO A 37 -4.251 16.870 2.973 1.00 0.00 C ATOM 565 CD PRO A 37 -3.084 17.747 3.347 1.00 0.00 C ATOM 0 HA PRO A 37 -3.834 18.075 0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.777 18.326 2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.677 17.059 1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.821 16.578 3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.914 15.952 2.492 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.299 18.353 4.227 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.193 17.161 3.573 1.00 0.00 H new ATOM 573 N LYS A 38 -5.292 20.033 -0.186 1.00 0.00 N ATOM 574 CA LYS A 38 -5.917 21.293 -0.565 1.00 0.00 C ATOM 575 C LYS A 38 -7.267 21.471 0.120 1.00 0.00 C ATOM 576 O LYS A 38 -8.311 21.182 -0.461 1.00 0.00 O ATOM 577 CB LYS A 38 -6.083 21.371 -2.084 1.00 0.00 C ATOM 578 CG LYS A 38 -4.773 21.430 -2.858 1.00 0.00 C ATOM 579 CD LYS A 38 -5.020 21.531 -4.355 1.00 0.00 C ATOM 580 CE LYS A 38 -3.712 21.616 -5.129 1.00 0.00 C ATOM 581 NZ LYS A 38 -3.937 21.721 -6.596 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.444 19.271 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.262 22.101 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.651 20.503 -2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.675 22.253 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.190 22.288 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.181 20.540 -2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.588 20.663 -4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.628 22.411 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.144 22.481 -4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.108 20.734 -4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.021 21.777 -7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.456 20.884 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.491 22.576 -6.802 1.00 0.00 H new ATOM 595 N ILE A 39 -7.235 21.939 1.363 1.00 0.00 N ATOM 596 CA ILE A 39 -8.438 22.027 2.182 1.00 0.00 C ATOM 597 C ILE A 39 -9.516 22.849 1.486 1.00 0.00 C ATOM 598 O ILE A 39 -9.287 23.994 1.101 1.00 0.00 O ATOM 599 CB ILE A 39 -8.141 22.647 3.559 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.266 21.704 4.391 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.436 22.960 4.292 1.00 0.00 C ATOM 602 CD1 ILE A 39 -6.766 22.315 5.681 1.00 0.00 C ATOM 0 H ILE A 39 -6.386 22.264 1.826 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.797 21.008 2.325 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.597 23.580 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.836 20.804 4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.410 21.393 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.207 23.398 5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.025 23.666 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.006 22.041 4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.154 21.588 6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.168 23.198 5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.615 22.600 6.302 1.00 0.00 H new ATOM 614 N TYR A 40 -10.697 22.258 1.329 1.00 0.00 N ATOM 615 CA TYR A 40 -11.843 22.967 0.777 1.00 0.00 C ATOM 616 C TYR A 40 -12.922 23.176 1.833 1.00 0.00 C ATOM 617 O TYR A 40 -13.130 22.326 2.699 1.00 0.00 O ATOM 618 CB TYR A 40 -12.416 22.203 -0.419 1.00 0.00 C ATOM 619 CG TYR A 40 -11.426 21.993 -1.544 1.00 0.00 C ATOM 620 CD1 TYR A 40 -11.004 23.057 -2.327 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.920 20.732 -1.821 1.00 0.00 C ATOM 622 CE1 TYR A 40 -10.101 22.872 -3.355 1.00 0.00 C ATOM 623 CE2 TYR A 40 -10.017 20.534 -2.847 1.00 0.00 C ATOM 624 CZ TYR A 40 -9.609 21.608 -3.613 1.00 0.00 C ATOM 625 OH TYR A 40 -8.710 21.417 -4.637 1.00 0.00 O ATOM 0 H TYR A 40 -10.884 21.287 1.578 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.502 23.947 0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.776 21.232 -0.079 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.279 22.746 -0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.388 24.047 -2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.238 19.890 -1.224 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.781 23.712 -3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.632 19.545 -3.049 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.463 20.470 -4.683 1.00 0.00 H new ATOM 635 N TRP A 41 -13.606 24.310 1.751 1.00 0.00 N ATOM 636 CA TRP A 41 -14.725 24.595 2.646 1.00 0.00 C ATOM 637 C TRP A 41 -16.015 24.803 1.866 1.00 0.00 C ATOM 638 O TRP A 41 -16.042 25.520 0.867 1.00 0.00 O ATOM 639 CB TRP A 41 -14.420 25.830 3.500 1.00 0.00 C ATOM 640 CG TRP A 41 -13.493 25.552 4.643 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.129 25.569 4.609 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.856 25.224 5.990 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.621 25.267 5.847 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.664 25.053 6.715 1.00 0.00 C ATOM 645 CE3 TRP A 41 -15.080 25.056 6.650 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.654 24.724 8.063 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -15.068 24.729 8.001 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.892 24.568 8.688 1.00 0.00 C ATOM 0 H TRP A 41 -13.407 25.048 1.075 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.860 23.734 3.300 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -13.982 26.601 2.866 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.355 26.232 3.890 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.535 25.788 3.734 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.631 25.211 6.084 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -16.013 25.178 6.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.729 24.594 8.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -16.005 24.599 8.521 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.925 24.315 9.737 1.00 0.00 H new ATOM 659 N PHE A 42 -17.089 24.170 2.331 1.00 0.00 N ATOM 660 CA PHE A 42 -18.418 24.411 1.782 1.00 0.00 C ATOM 661 C PHE A 42 -19.501 24.163 2.824 1.00 0.00 C ATOM 662 O PHE A 42 -19.393 23.242 3.634 1.00 0.00 O ATOM 663 CB PHE A 42 -18.656 23.529 0.555 1.00 0.00 C ATOM 664 CG PHE A 42 -18.431 22.064 0.810 1.00 0.00 C ATOM 665 CD1 PHE A 42 -17.159 21.519 0.729 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.493 21.230 1.129 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.951 20.174 0.962 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.287 19.884 1.363 1.00 0.00 C ATOM 669 CZ PHE A 42 -18.017 19.355 1.279 1.00 0.00 C ATOM 0 H PHE A 42 -17.064 23.486 3.087 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.470 25.458 1.483 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.678 23.675 0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.996 23.854 -0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.321 22.154 0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.491 21.637 1.195 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.955 19.762 0.896 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.122 19.246 1.612 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.856 18.303 1.461 1.00 0.00 H new ATOM 679 N LYS A 43 -20.538 24.987 2.797 1.00 0.00 N ATOM 680 CA LYS A 43 -21.591 24.929 3.809 1.00 0.00 C ATOM 681 C LYS A 43 -22.887 24.388 3.225 1.00 0.00 C ATOM 682 O LYS A 43 -23.542 25.054 2.421 1.00 0.00 O ATOM 683 CB LYS A 43 -21.825 26.313 4.419 1.00 0.00 C ATOM 684 CG LYS A 43 -22.726 26.313 5.648 1.00 0.00 C ATOM 685 CD LYS A 43 -24.180 26.546 5.269 1.00 0.00 C ATOM 686 CE LYS A 43 -25.052 26.734 6.503 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.501 26.647 6.178 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.676 25.705 2.086 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.262 24.248 4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.862 26.746 4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.264 26.962 3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.632 25.361 6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.400 27.089 6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.255 27.427 4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.546 25.700 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.800 25.975 7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -24.839 27.703 6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.057 26.695 7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -26.765 27.438 5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.695 25.747 5.695 1.00 0.00 H new ATOM 701 N ASP A 44 -23.256 23.178 3.629 1.00 0.00 N ATOM 702 CA ASP A 44 -24.418 22.501 3.063 1.00 0.00 C ATOM 703 C ASP A 44 -24.311 22.407 1.546 1.00 0.00 C ATOM 704 O ASP A 44 -25.321 22.451 0.842 1.00 0.00 O ATOM 705 CB ASP A 44 -25.708 23.224 3.456 1.00 0.00 C ATOM 706 CG ASP A 44 -26.087 23.084 4.924 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.488 22.279 5.597 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.855 23.887 5.397 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.767 22.644 4.348 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.445 21.490 3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.603 24.283 3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.525 22.841 2.845 1.00 0.00 H new ATOM 713 N GLY A 45 -23.088 22.283 1.047 1.00 0.00 N ATOM 714 CA GLY A 45 -22.853 22.121 -0.382 1.00 0.00 C ATOM 715 C GLY A 45 -22.560 23.459 -1.047 1.00 0.00 C ATOM 716 O GLY A 45 -22.338 23.527 -2.255 1.00 0.00 O ATOM 0 H GLY A 45 -22.240 22.292 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -22.015 21.442 -0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.726 21.664 -0.847 1.00 0.00 H new ATOM 720 N LYS A 46 -22.557 24.522 -0.248 1.00 0.00 N ATOM 721 CA LYS A 46 -22.314 25.865 -0.763 1.00 0.00 C ATOM 722 C LYS A 46 -20.847 26.248 -0.623 1.00 0.00 C ATOM 723 O LYS A 46 -20.394 26.639 0.455 1.00 0.00 O ATOM 724 CB LYS A 46 -23.195 26.884 -0.039 1.00 0.00 C ATOM 725 CG LYS A 46 -24.692 26.659 -0.214 1.00 0.00 C ATOM 726 CD LYS A 46 -25.500 27.657 0.601 1.00 0.00 C ATOM 727 CE LYS A 46 -26.994 27.463 0.390 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.795 28.511 1.081 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.720 24.479 0.758 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.569 25.868 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.958 26.860 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.945 27.882 -0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.955 26.750 -1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.948 25.645 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.262 27.543 1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.220 28.672 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.215 27.482 -0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.288 26.480 0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.807 28.342 0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.604 28.476 2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.534 29.447 0.712 1.00 0.00 H new ATOM 742 N GLN A 47 -20.102 26.137 -1.720 1.00 0.00 N ATOM 743 CA GLN A 47 -18.674 26.433 -1.712 1.00 0.00 C ATOM 744 C GLN A 47 -18.395 27.794 -1.091 1.00 0.00 C ATOM 745 O GLN A 47 -19.016 28.794 -1.458 1.00 0.00 O ATOM 746 CB GLN A 47 -18.110 26.390 -3.135 1.00 0.00 C ATOM 747 CG GLN A 47 -16.604 26.574 -3.213 1.00 0.00 C ATOM 748 CD GLN A 47 -16.086 26.504 -4.637 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.862 26.406 -5.590 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.767 26.553 -4.788 1.00 0.00 N ATOM 0 H GLN A 47 -20.465 25.844 -2.627 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.183 25.671 -1.107 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.372 25.434 -3.589 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.591 27.168 -3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.335 27.537 -2.778 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.115 25.806 -2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.163 26.634 -3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.359 26.509 -5.722 1.00 0.00 H new ATOM 759 N ILE A 48 -17.462 27.830 -0.147 1.00 0.00 N ATOM 760 CA ILE A 48 -17.134 29.059 0.563 1.00 0.00 C ATOM 761 C ILE A 48 -15.875 29.701 -0.003 1.00 0.00 C ATOM 762 O ILE A 48 -14.816 29.075 -0.052 1.00 0.00 O ATOM 763 CB ILE A 48 -16.938 28.806 2.069 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.228 28.268 2.693 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.496 30.082 2.769 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.064 27.783 4.116 1.00 0.00 C ATOM 0 H ILE A 48 -16.918 27.018 0.145 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.977 29.737 0.425 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.157 28.057 2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -18.985 29.052 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.602 27.447 2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.362 29.886 3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.553 30.424 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.255 30.852 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.021 27.417 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.332 26.976 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.721 28.606 4.744 1.00 0.00 H new ATOM 778 N SER A 49 -15.993 30.955 -0.422 1.00 0.00 N ATOM 779 CA SER A 49 -14.841 31.718 -0.890 1.00 0.00 C ATOM 780 C SER A 49 -14.174 32.467 0.255 1.00 0.00 C ATOM 781 O SER A 49 -14.845 33.099 1.071 1.00 0.00 O ATOM 782 CB SER A 49 -15.261 32.684 -1.979 1.00 0.00 C ATOM 783 OG SER A 49 -14.210 33.521 -2.376 1.00 0.00 O ATOM 0 H SER A 49 -16.875 31.466 -0.448 1.00 0.00 H new ATOM 0 HA SER A 49 -14.114 31.017 -1.300 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.622 32.123 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.093 33.292 -1.623 1.00 0.00 H new ATOM 0 HG SER A 49 -14.522 34.127 -3.080 1.00 0.00 H new ATOM 789 N PRO A 50 -12.848 32.388 0.314 1.00 0.00 N ATOM 790 CA PRO A 50 -12.083 33.095 1.334 1.00 0.00 C ATOM 791 C PRO A 50 -12.400 34.586 1.327 1.00 0.00 C ATOM 792 O PRO A 50 -12.529 35.196 0.265 1.00 0.00 O ATOM 793 CB PRO A 50 -10.623 32.813 0.967 1.00 0.00 C ATOM 794 CG PRO A 50 -10.672 31.531 0.206 1.00 0.00 C ATOM 795 CD PRO A 50 -11.959 31.578 -0.572 1.00 0.00 C ATOM 0 HA PRO A 50 -12.319 32.764 2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.203 33.617 0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.000 32.723 1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.814 31.436 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.650 30.674 0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.826 32.045 -1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.362 30.581 -0.748 1.00 0.00 H new ATOM 803 N LYS A 51 -12.518 35.167 2.514 1.00 0.00 N ATOM 804 CA LYS A 51 -12.765 36.599 2.645 1.00 0.00 C ATOM 805 C LYS A 51 -14.043 37.006 1.925 1.00 0.00 C ATOM 806 O LYS A 51 -14.034 37.899 1.077 1.00 0.00 O ATOM 807 CB LYS A 51 -11.578 37.397 2.103 1.00 0.00 C ATOM 808 CG LYS A 51 -10.270 37.163 2.848 1.00 0.00 C ATOM 809 CD LYS A 51 -9.142 37.996 2.257 1.00 0.00 C ATOM 810 CE LYS A 51 -7.834 37.762 2.999 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.702 38.501 2.378 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.447 34.669 3.401 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.887 36.821 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.434 37.143 1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.821 38.459 2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.398 37.415 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.007 36.106 2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.015 37.745 1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.405 39.053 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.945 38.075 4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.609 36.696 3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.830 38.314 2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.579 38.185 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.905 39.521 2.391 1.00 0.00 H new ATOM 825 N SER A 52 -15.144 36.345 2.267 1.00 0.00 N ATOM 826 CA SER A 52 -16.438 36.653 1.669 1.00 0.00 C ATOM 827 C SER A 52 -17.227 37.626 2.534 1.00 0.00 C ATOM 828 O SER A 52 -16.663 38.305 3.394 1.00 0.00 O ATOM 829 CB SER A 52 -17.229 35.378 1.452 1.00 0.00 C ATOM 830 OG SER A 52 -18.377 35.595 0.678 1.00 0.00 O ATOM 0 H SER A 52 -15.166 35.593 2.955 1.00 0.00 H new ATOM 0 HA SER A 52 -16.262 37.130 0.705 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.596 34.638 0.962 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.517 34.962 2.417 1.00 0.00 H new ATOM 0 HG SER A 52 -18.857 34.749 0.560 1.00 0.00 H new ATOM 836 N ASP A 53 -18.533 37.695 2.298 1.00 0.00 N ATOM 837 CA ASP A 53 -19.392 38.630 3.012 1.00 0.00 C ATOM 838 C ASP A 53 -19.279 38.443 4.520 1.00 0.00 C ATOM 839 O ASP A 53 -19.172 39.409 5.272 1.00 0.00 O ATOM 840 CB ASP A 53 -20.848 38.466 2.570 1.00 0.00 C ATOM 841 CG ASP A 53 -21.144 38.993 1.172 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.313 39.683 0.631 1.00 0.00 O ATOM 843 OD2 ASP A 53 -22.121 38.577 0.597 1.00 0.00 O1- ATOM 0 H ASP A 53 -19.020 37.113 1.616 1.00 0.00 H new ATOM 0 HA ASP A 53 -19.059 39.639 2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.110 37.409 2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.492 38.981 3.283 1.00 0.00 H new ATOM 848 N HIS A 54 -19.309 37.187 4.958 1.00 0.00 N ATOM 849 CA HIS A 54 -19.221 36.867 6.377 1.00 0.00 C ATOM 850 C HIS A 54 -18.272 35.705 6.622 1.00 0.00 C ATOM 851 O HIS A 54 -17.997 35.344 7.770 1.00 0.00 O ATOM 852 CB HIS A 54 -20.606 36.541 6.947 1.00 0.00 C ATOM 853 CG HIS A 54 -21.570 37.684 6.877 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.493 38.775 7.717 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.633 37.905 6.068 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.467 39.619 7.426 1.00 0.00 C ATOM 857 NE2 HIS A 54 -23.173 39.115 6.431 1.00 0.00 N ATOM 0 H HIS A 54 -19.394 36.374 4.348 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.827 37.745 6.888 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -21.022 35.693 6.404 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.498 36.232 7.987 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.989 37.253 5.285 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.654 40.562 7.919 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.988 39.553 6.001 1.00 0.00 H new ATOM 865 N TYR A 55 -17.773 35.114 5.541 1.00 0.00 N ATOM 866 CA TYR A 55 -16.963 33.905 5.633 1.00 0.00 C ATOM 867 C TYR A 55 -15.505 34.195 5.310 1.00 0.00 C ATOM 868 O TYR A 55 -15.103 34.215 4.145 1.00 0.00 O ATOM 869 CB TYR A 55 -17.505 32.825 4.690 1.00 0.00 C ATOM 870 CG TYR A 55 -18.856 32.276 5.097 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.309 32.397 6.403 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.673 31.642 4.171 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.541 31.897 6.778 1.00 0.00 C ATOM 874 CE2 TYR A 55 -20.906 31.140 4.536 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.337 31.269 5.841 1.00 0.00 C ATOM 876 OH TYR A 55 -22.565 30.773 6.210 1.00 0.00 O ATOM 0 H TYR A 55 -17.916 35.454 4.590 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.020 33.542 6.659 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.580 33.239 3.685 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.789 32.004 4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.689 32.890 7.137 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.339 31.540 3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -20.880 31.997 7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.530 30.649 3.804 1.00 0.00 H new ATOM 0 HH TYR A 55 -23.162 31.515 6.439 1.00 0.00 H new ATOM 886 N THR A 56 -14.709 34.422 6.350 1.00 0.00 N ATOM 887 CA THR A 56 -13.287 34.705 6.182 1.00 0.00 C ATOM 888 C THR A 56 -12.446 33.463 6.434 1.00 0.00 C ATOM 889 O THR A 56 -12.519 32.856 7.502 1.00 0.00 O ATOM 890 CB THR A 56 -12.817 35.829 7.125 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.541 37.032 6.836 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.328 36.083 6.951 1.00 0.00 C ATOM 0 H THR A 56 -15.025 34.416 7.320 1.00 0.00 H new ATOM 0 HA THR A 56 -13.153 35.030 5.150 1.00 0.00 H new ATOM 0 HB THR A 56 -13.005 35.522 8.154 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.243 37.746 7.437 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.014 36.880 7.625 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.774 35.173 7.182 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.127 36.378 5.921 1.00 0.00 H new ATOM 900 N ILE A 57 -11.644 33.084 5.442 1.00 0.00 N ATOM 901 CA ILE A 57 -10.822 31.883 5.536 1.00 0.00 C ATOM 902 C ILE A 57 -9.345 32.236 5.654 1.00 0.00 C ATOM 903 O ILE A 57 -8.795 32.933 4.803 1.00 0.00 O ATOM 904 CB ILE A 57 -11.023 30.964 4.317 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.473 30.477 4.250 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.065 29.785 4.377 1.00 0.00 C ATOM 907 CD1 ILE A 57 -12.795 29.690 2.999 1.00 0.00 C ATOM 0 H ILE A 57 -11.547 33.593 4.563 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.140 31.354 6.434 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.809 31.534 3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.679 29.856 5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.139 31.338 4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.220 29.145 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.038 30.150 4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.249 29.213 5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.839 29.379 3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.623 30.314 2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.155 28.809 2.949 1.00 0.00 H new ATOM 919 N GLN A 58 -8.709 31.751 6.716 1.00 0.00 N ATOM 920 CA GLN A 58 -7.260 31.838 6.847 1.00 0.00 C ATOM 921 C GLN A 58 -6.606 30.482 6.623 1.00 0.00 C ATOM 922 O GLN A 58 -7.098 29.456 7.099 1.00 0.00 O ATOM 923 CB GLN A 58 -6.878 32.374 8.230 1.00 0.00 C ATOM 924 CG GLN A 58 -7.384 33.778 8.515 1.00 0.00 C ATOM 925 CD GLN A 58 -6.741 34.818 7.618 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.517 34.857 7.465 1.00 0.00 O ATOM 927 NE2 GLN A 58 -7.564 35.672 7.020 1.00 0.00 N ATOM 0 H GLN A 58 -9.176 31.293 7.499 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.899 32.527 6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.269 31.698 8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.792 32.365 8.324 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.465 33.806 8.381 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.185 34.028 9.557 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.570 35.604 7.174 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.190 36.396 6.406 1.00 0.00 H new ATOM 936 N ARG A 59 -5.492 30.478 5.896 1.00 0.00 N ATOM 937 CA ARG A 59 -4.854 29.240 5.474 1.00 0.00 C ATOM 938 C ARG A 59 -3.435 29.139 6.014 1.00 0.00 C ATOM 939 O ARG A 59 -2.516 29.782 5.500 1.00 0.00 O ATOM 940 CB ARG A 59 -4.889 29.062 3.963 1.00 0.00 C ATOM 941 CG ARG A 59 -6.244 28.671 3.395 1.00 0.00 C ATOM 942 CD ARG A 59 -6.279 28.560 1.915 1.00 0.00 C ATOM 943 NE ARG A 59 -7.582 28.221 1.367 1.00 0.00 N ATOM 944 CZ ARG A 59 -8.072 26.969 1.277 1.00 0.00 C ATOM 945 NH1 ARG A 59 -7.360 25.934 1.661 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -9.282 26.807 0.769 1.00 0.00 N ATOM 0 H ARG A 59 -5.013 31.324 5.587 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.432 28.421 5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.570 29.993 3.495 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.161 28.300 3.685 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.543 27.716 3.826 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.983 29.408 3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.953 29.507 1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.559 27.803 1.603 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.166 28.985 1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.421 26.071 2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.746 24.993 1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.817 27.618 0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.680 25.871 0.688 1.00 0.00 H new ATOM 960 N ASP A 60 -3.256 28.328 7.050 1.00 0.00 N ATOM 961 CA ASP A 60 -1.923 28.003 7.548 1.00 0.00 C ATOM 962 C ASP A 60 -1.311 26.844 6.770 1.00 0.00 C ATOM 963 O ASP A 60 -1.859 25.746 6.742 1.00 0.00 O ATOM 964 CB ASP A 60 -1.973 27.666 9.040 1.00 0.00 C ATOM 965 CG ASP A 60 -0.615 27.381 9.668 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.347 27.299 8.942 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.523 27.406 10.872 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.017 27.883 7.562 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.293 28.881 7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.438 28.496 9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.615 26.796 9.182 1.00 0.00 H new ATOM 972 N LEU A 61 -0.168 27.098 6.142 1.00 0.00 N ATOM 973 CA LEU A 61 0.416 26.153 5.198 1.00 0.00 C ATOM 974 C LEU A 61 0.954 24.922 5.915 1.00 0.00 C ATOM 975 O LEU A 61 1.365 23.951 5.279 1.00 0.00 O ATOM 976 CB LEU A 61 1.531 26.830 4.391 1.00 0.00 C ATOM 977 CG LEU A 61 1.074 27.973 3.476 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.278 28.621 2.809 1.00 0.00 C ATOM 979 CD2 LEU A 61 0.106 27.433 2.434 1.00 0.00 C ATOM 0 H LEU A 61 0.373 27.953 6.270 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.368 25.828 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.276 27.218 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.027 26.074 3.782 1.00 0.00 H new ATOM 0 HG LEU A 61 0.564 28.732 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.943 29.431 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.946 29.019 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.809 27.877 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.219 28.245 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.603 26.667 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.761 26.999 2.933 1.00 0.00 H new ATOM 991 N ASP A 62 0.950 24.966 7.245 1.00 0.00 N ATOM 992 CA ASP A 62 1.361 23.825 8.051 1.00 0.00 C ATOM 993 C ASP A 62 0.343 22.698 7.968 1.00 0.00 C ATOM 994 O ASP A 62 0.631 21.556 8.331 1.00 0.00 O ATOM 995 CB ASP A 62 1.564 24.246 9.509 1.00 0.00 C ATOM 996 CG ASP A 62 2.829 25.056 9.761 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.673 25.088 8.896 1.00 0.00 O ATOM 998 OD2 ASP A 62 2.875 25.759 10.741 1.00 0.00 O1- ATOM 0 H ASP A 62 0.666 25.783 7.786 1.00 0.00 H new ATOM 0 HA ASP A 62 2.307 23.458 7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.702 24.832 9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.590 23.352 10.132 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.856 23.022 7.491 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.906 22.025 7.317 1.00 0.00 C ATOM 1005 C GLY A 63 -3.140 22.382 8.136 1.00 0.00 C ATOM 1006 O GLY A 63 -3.942 21.512 8.479 1.00 0.00 O ATOM 0 H GLY A 63 -1.124 23.968 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.173 21.954 6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.536 21.045 7.619 1.00 0.00 H new ATOM 1010 N THR A 64 -3.287 23.662 8.452 1.00 0.00 N ATOM 1011 CA THR A 64 -4.424 24.137 9.234 1.00 0.00 C ATOM 1012 C THR A 64 -5.167 25.251 8.507 1.00 0.00 C ATOM 1013 O THR A 64 -4.554 26.125 7.898 1.00 0.00 O ATOM 1014 CB THR A 64 -3.985 24.647 10.619 1.00 0.00 C ATOM 1015 OG1 THR A 64 -3.286 23.606 11.315 1.00 0.00 O ATOM 1016 CG2 THR A 64 -5.193 25.076 11.437 1.00 0.00 C ATOM 0 H THR A 64 -2.631 24.393 8.178 1.00 0.00 H new ATOM 0 HA THR A 64 -5.091 23.285 9.365 1.00 0.00 H new ATOM 0 HB THR A 64 -3.329 25.506 10.482 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.006 23.932 12.196 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.863 25.433 12.413 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.720 25.876 10.916 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.863 24.227 11.569 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.493 25.208 8.573 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.323 26.249 7.973 1.00 0.00 C ATOM 1026 C CYS A 65 -8.446 26.668 8.913 1.00 0.00 C ATOM 1027 O CYS A 65 -9.119 25.822 9.507 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.891 25.557 6.734 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.802 26.649 5.615 1.00 0.00 S ATOM 0 H CYS A 65 -7.017 24.465 9.035 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.769 27.161 7.750 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.071 25.096 6.183 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.553 24.752 7.054 1.00 0.00 H new ATOM 0 HG CYS A 65 -9.415 25.936 4.717 1.00 0.00 H new ATOM 1035 N SER A 66 -8.643 27.974 9.047 1.00 0.00 N ATOM 1036 CA SER A 66 -9.626 28.508 9.980 1.00 0.00 C ATOM 1037 C SER A 66 -10.715 29.286 9.249 1.00 0.00 C ATOM 1038 O SER A 66 -10.427 30.126 8.397 1.00 0.00 O ATOM 1039 CB SER A 66 -8.944 29.390 11.008 1.00 0.00 C ATOM 1040 OG SER A 66 -9.864 29.996 11.874 1.00 0.00 O ATOM 0 H SER A 66 -8.134 28.683 8.520 1.00 0.00 H new ATOM 0 HA SER A 66 -10.100 27.670 10.491 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.240 28.793 11.588 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.365 30.160 10.498 1.00 0.00 H new ATOM 0 HG SER A 66 -9.385 30.554 12.522 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.967 28.998 9.587 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.098 29.727 9.026 1.00 0.00 C ATOM 1048 C LEU A 67 -13.792 30.571 10.086 1.00 0.00 C ATOM 1049 O LEU A 67 -14.308 30.044 11.071 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.093 28.750 8.387 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.385 29.387 7.858 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -15.058 30.402 6.771 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.305 28.300 7.321 1.00 0.00 C ATOM 0 H LEU A 67 -12.224 28.264 10.247 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.718 30.400 8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.596 28.237 7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.356 27.991 9.123 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.893 29.907 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.981 30.849 6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.416 31.181 7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.542 29.903 5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.223 28.753 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.805 27.768 6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.547 27.600 8.121 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.799 31.884 9.878 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.507 32.796 10.767 1.00 0.00 C ATOM 1067 C HIS A 68 -15.831 33.246 10.160 1.00 0.00 C ATOM 1068 O HIS A 68 -15.870 33.734 9.030 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.640 34.016 11.092 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.363 35.082 11.857 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.779 34.909 13.160 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.744 36.331 11.501 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.385 36.009 13.574 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.376 36.886 12.586 1.00 0.00 N ATOM 0 H HIS A 68 -13.321 32.340 9.100 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.720 32.256 11.690 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.774 33.692 11.668 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.263 34.441 10.162 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.581 36.803 10.543 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.814 36.164 14.553 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.774 37.824 12.623 1.00 0.00 H new ATOM 1082 N THR A 69 -16.911 33.076 10.916 1.00 0.00 N ATOM 1083 CA THR A 69 -18.210 33.614 10.526 1.00 0.00 C ATOM 1084 C THR A 69 -18.513 34.908 11.269 1.00 0.00 C ATOM 1085 O THR A 69 -18.663 34.913 12.491 1.00 0.00 O ATOM 1086 CB THR A 69 -19.343 32.605 10.791 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.116 31.415 10.024 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.689 33.201 10.409 1.00 0.00 C ATOM 0 H THR A 69 -16.913 32.570 11.802 1.00 0.00 H new ATOM 0 HA THR A 69 -18.159 33.815 9.456 1.00 0.00 H new ATOM 0 HB THR A 69 -19.353 32.364 11.854 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.500 31.524 9.129 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.477 32.474 10.603 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.870 34.099 11.000 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.686 33.458 9.350 1.00 0.00 H new ATOM 1096 N THR A 70 -18.603 36.004 10.525 1.00 0.00 N ATOM 1097 CA THR A 70 -18.798 37.321 11.119 1.00 0.00 C ATOM 1098 C THR A 70 -20.154 37.422 11.805 1.00 0.00 C ATOM 1099 O THR A 70 -20.272 38.000 12.887 1.00 0.00 O ATOM 1100 CB THR A 70 -18.681 38.438 10.066 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.359 38.441 9.512 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.966 39.794 10.695 1.00 0.00 C ATOM 0 H THR A 70 -18.544 36.006 9.507 1.00 0.00 H new ATOM 0 HA THR A 70 -18.010 37.450 11.861 1.00 0.00 H new ATOM 0 HB THR A 70 -19.411 38.252 9.278 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.287 39.151 8.841 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.879 40.572 9.937 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.975 39.799 11.106 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.248 39.983 11.493 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.172 36.853 11.171 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.535 36.924 11.691 1.00 0.00 C ATOM 1112 C ALA A 71 -23.277 35.612 11.479 1.00 0.00 C ATOM 1113 O ALA A 71 -23.941 35.420 10.458 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.290 38.073 11.037 1.00 0.00 C ATOM 0 H ALA A 71 -21.081 36.337 10.296 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.477 37.105 12.764 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.304 38.114 11.434 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.779 39.012 11.249 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.328 37.916 9.959 1.00 0.00 H new ATOM 1120 N SER A 72 -23.160 34.708 12.447 1.00 0.00 N ATOM 1121 CA SER A 72 -23.766 33.387 12.340 1.00 0.00 C ATOM 1122 C SER A 72 -25.266 33.448 12.599 1.00 0.00 C ATOM 1123 O SER A 72 -25.726 33.145 13.699 1.00 0.00 O ATOM 1124 CB SER A 72 -23.101 32.427 13.308 1.00 0.00 C ATOM 1125 OG SER A 72 -23.536 31.107 13.123 1.00 0.00 O ATOM 0 H SER A 72 -22.650 34.868 13.316 1.00 0.00 H new ATOM 0 HA SER A 72 -23.616 33.025 11.323 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.020 32.474 13.179 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.314 32.739 14.331 1.00 0.00 H new ATOM 0 HG SER A 72 -23.083 30.520 13.764 1.00 0.00 H new ATOM 1131 N THR A 73 -26.023 33.839 11.578 1.00 0.00 N ATOM 1132 CA THR A 73 -27.471 33.943 11.696 1.00 0.00 C ATOM 1133 C THR A 73 -28.140 32.597 11.437 1.00 0.00 C ATOM 1134 O THR A 73 -27.477 31.610 11.135 1.00 0.00 O ATOM 1135 CB THR A 73 -28.043 34.985 10.718 1.00 0.00 C ATOM 1136 OG1 THR A 73 -27.825 34.550 9.369 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.374 36.335 10.926 1.00 0.00 C ATOM 0 H THR A 73 -25.656 34.089 10.660 1.00 0.00 H new ATOM 0 HA THR A 73 -27.683 34.262 12.717 1.00 0.00 H new ATOM 0 HB THR A 73 -29.112 35.088 10.905 1.00 0.00 H new ATOM 0 HG1 THR A 73 -26.878 34.329 9.246 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.791 37.059 10.226 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.549 36.674 11.947 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.302 36.240 10.754 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.465 32.570 11.565 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.220 31.329 11.426 1.00 0.00 C ATOM 1147 C LEU A 74 -30.061 30.738 10.029 1.00 0.00 C ATOM 1148 O LEU A 74 -30.174 29.529 9.842 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.701 31.574 11.736 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.014 31.924 13.196 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.481 32.309 13.339 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.679 30.736 14.086 1.00 0.00 C ATOM 0 H LEU A 74 -30.036 33.392 11.764 1.00 0.00 H new ATOM 0 HA LEU A 74 -29.822 30.609 12.141 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.060 32.384 11.100 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.265 30.682 11.464 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.407 32.776 13.504 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.693 32.556 14.379 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.693 33.174 12.711 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.108 31.473 13.029 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -31.901 30.985 15.124 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.275 29.875 13.783 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.620 30.496 13.989 1.00 0.00 H new ATOM 1164 N ASP A 75 -29.793 31.601 9.055 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.537 31.157 7.693 1.00 0.00 C ATOM 1166 C ASP A 75 -28.139 30.564 7.562 1.00 0.00 C ATOM 1167 O ASP A 75 -27.855 29.821 6.621 1.00 0.00 O ATOM 1168 CB ASP A 75 -29.712 32.318 6.710 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.159 32.739 6.485 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.037 32.005 6.872 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.375 33.853 6.073 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.748 32.612 9.185 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.261 30.378 7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.149 33.177 7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.275 32.036 5.752 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.270 30.894 8.510 1.00 0.00 N ATOM 1177 CA ASP A 76 -25.908 30.377 8.516 1.00 0.00 C ATOM 1178 C ASP A 76 -25.805 29.096 9.332 1.00 0.00 C ATOM 1179 O ASP A 76 -24.767 28.433 9.336 1.00 0.00 O ATOM 1180 CB ASP A 76 -24.940 31.428 9.063 1.00 0.00 C ATOM 1181 CG ASP A 76 -24.843 32.696 8.223 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.600 32.585 7.044 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.166 33.744 8.729 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.486 31.519 9.286 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.636 30.145 7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.250 31.699 10.072 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -23.948 30.983 9.143 1.00 0.00 H new ATOM 1188 N ASP A 77 -26.886 28.749 10.020 1.00 0.00 N ATOM 1189 CA ASP A 77 -26.988 27.457 10.687 1.00 0.00 C ATOM 1190 C ASP A 77 -26.974 26.314 9.681 1.00 0.00 C ATOM 1191 O ASP A 77 -27.748 26.306 8.723 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.261 27.392 11.538 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.422 26.101 12.330 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.807 25.125 11.969 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.030 26.139 13.371 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.706 29.346 10.131 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.120 27.349 11.337 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.263 28.233 12.232 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.126 27.515 10.886 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.089 25.349 9.901 1.00 0.00 N ATOM 1201 CA GLY A 78 -25.941 24.218 8.993 1.00 0.00 C ATOM 1202 C GLY A 78 -24.560 23.586 9.116 1.00 0.00 C ATOM 1203 O GLY A 78 -23.868 23.776 10.115 1.00 0.00 O ATOM 0 H GLY A 78 -25.460 25.327 10.704 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.705 23.472 9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.102 24.549 7.967 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.167 22.833 8.094 1.00 0.00 N ATOM 1208 CA ASN A 79 -22.960 22.022 8.161 1.00 0.00 C ATOM 1209 C ASN A 79 -21.829 22.650 7.357 1.00 0.00 C ATOM 1210 O ASN A 79 -21.844 22.626 6.124 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.218 20.603 7.688 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.275 19.884 8.480 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.136 19.674 9.690 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.290 19.434 7.788 1.00 0.00 N ATOM 0 H ASN A 79 -24.669 22.769 7.208 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.657 21.981 9.207 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.516 20.627 6.640 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.288 20.037 7.742 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -26.014 18.881 8.246 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.357 19.636 6.790 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.849 23.210 8.058 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.653 23.742 7.414 1.00 0.00 C ATOM 1223 C TYR A 80 -18.663 22.633 7.087 1.00 0.00 C ATOM 1224 O TYR A 80 -17.601 22.534 7.701 1.00 0.00 O ATOM 1225 CB TYR A 80 -18.987 24.792 8.306 1.00 0.00 C ATOM 1226 CG TYR A 80 -19.828 26.032 8.520 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -20.799 26.074 9.509 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.640 27.162 7.735 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.565 27.205 9.709 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.403 28.298 7.924 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.365 28.315 8.914 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.128 29.445 9.111 1.00 0.00 O ATOM 0 H TYR A 80 -20.859 23.307 9.073 1.00 0.00 H new ATOM 0 HA TYR A 80 -19.960 24.212 6.480 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.764 24.344 9.274 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.035 25.082 7.862 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -20.959 25.207 10.133 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.884 27.153 6.963 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.317 27.221 10.484 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.248 29.167 7.302 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.058 29.186 9.280 1.00 0.00 H new ATOM 1242 N THR A 81 -19.018 21.794 6.117 1.00 0.00 N ATOM 1243 CA THR A 81 -18.247 20.591 5.822 1.00 0.00 C ATOM 1244 C THR A 81 -16.886 20.943 5.236 1.00 0.00 C ATOM 1245 O THR A 81 -16.788 21.729 4.293 1.00 0.00 O ATOM 1246 CB THR A 81 -18.992 19.666 4.842 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.263 19.303 5.397 1.00 0.00 O ATOM 1248 CG2 THR A 81 -18.181 18.406 4.577 1.00 0.00 C ATOM 0 H THR A 81 -19.836 21.926 5.522 1.00 0.00 H new ATOM 0 HA THR A 81 -18.110 20.066 6.767 1.00 0.00 H new ATOM 0 HB THR A 81 -19.136 20.198 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.737 18.716 4.772 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.723 17.764 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.218 18.677 4.145 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.021 17.873 5.514 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.835 20.354 5.797 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.483 20.564 5.299 1.00 0.00 C ATOM 1258 C ILE A 82 -13.924 19.290 4.679 1.00 0.00 C ATOM 1259 O ILE A 82 -14.129 18.191 5.195 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.537 21.040 6.417 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -12.085 21.019 5.932 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.700 20.175 7.656 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -11.094 21.541 6.947 1.00 0.00 C ATOM 0 H ILE A 82 -15.895 19.726 6.599 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.544 21.340 4.536 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.798 22.065 6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.815 19.997 5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -12.007 21.615 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -13.024 20.525 8.436 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.728 20.239 8.012 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.465 19.139 7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.088 21.494 6.530 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.337 22.574 7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.142 20.931 7.849 1.00 0.00 H new ATOM 1275 N MET A 83 -13.214 19.443 3.562 1.00 0.00 N ATOM 1276 CA MET A 83 -12.625 18.307 2.868 1.00 0.00 C ATOM 1277 C MET A 83 -11.153 18.549 2.563 1.00 0.00 C ATOM 1278 O MET A 83 -10.798 19.524 1.897 1.00 0.00 O ATOM 1279 CB MET A 83 -13.391 18.022 1.578 1.00 0.00 C ATOM 1280 CG MET A 83 -12.836 16.867 0.757 1.00 0.00 C ATOM 1281 SD MET A 83 -13.850 16.488 -0.686 1.00 0.00 S ATOM 1282 CE MET A 83 -13.481 17.890 -1.736 1.00 0.00 C ATOM 0 H MET A 83 -13.035 20.345 3.121 1.00 0.00 H new ATOM 0 HA MET A 83 -12.695 17.439 3.523 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.430 17.808 1.827 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.390 18.922 0.963 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.825 17.111 0.431 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.763 15.981 1.387 1.00 0.00 H new ATOM 0 HE1 MET A 83 -13.904 17.724 -2.727 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.913 18.792 -1.303 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.401 18.008 -1.818 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.296 17.659 3.052 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.862 17.772 2.828 1.00 0.00 C ATOM 1294 C ALA A 84 -8.381 16.739 1.814 1.00 0.00 C ATOM 1295 O ALA A 84 -8.053 15.608 2.172 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.105 17.622 4.141 1.00 0.00 C ATOM 0 H ALA A 84 -10.572 16.849 3.608 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.662 18.763 2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.034 17.709 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.418 18.404 4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.320 16.646 4.575 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.340 17.137 0.545 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.022 16.214 -0.537 1.00 0.00 C ATOM 1304 C ALA A 85 -6.591 16.405 -1.023 1.00 0.00 C ATOM 1305 O ALA A 85 -6.160 17.526 -1.289 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.006 16.389 -1.686 1.00 0.00 C ATOM 0 H ALA A 85 -8.523 18.094 0.242 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.109 15.198 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.757 15.694 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.017 16.188 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.949 17.411 -2.061 1.00 0.00 H new ATOM 1312 N ASN A 86 -5.861 15.300 -1.135 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.529 15.321 -1.733 1.00 0.00 C ATOM 1314 C ASN A 86 -4.286 14.077 -2.576 1.00 0.00 C ATOM 1315 O ASN A 86 -5.153 13.209 -2.687 1.00 0.00 O ATOM 1316 CB ASN A 86 -3.447 15.459 -0.677 1.00 0.00 C ATOM 1317 CG ASN A 86 -3.162 14.182 0.066 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -3.781 13.142 -0.185 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -2.284 14.277 1.031 1.00 0.00 N ATOM 0 H ASN A 86 -6.168 14.380 -0.820 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.482 16.195 -2.383 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.529 15.805 -1.153 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.745 16.226 0.038 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.083 13.468 1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.801 15.160 1.196 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.098 13.993 -3.170 1.00 0.00 N ATOM 1327 CA PRO A 87 -2.776 12.909 -4.088 1.00 0.00 C ATOM 1328 C PRO A 87 -2.913 11.553 -3.410 1.00 0.00 C ATOM 1329 O PRO A 87 -3.147 10.538 -4.066 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.334 13.196 -4.516 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.191 14.674 -4.374 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.010 15.038 -3.164 1.00 0.00 C ATOM 0 HA PRO A 87 -3.452 12.865 -4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.620 12.666 -3.886 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.153 12.876 -5.542 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.147 14.957 -4.242 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.552 15.191 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.419 15.001 -2.249 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.417 16.046 -3.240 1.00 0.00 H new ATOM 1340 N GLN A 88 -2.774 11.541 -2.089 1.00 0.00 N ATOM 1341 CA GLN A 88 -2.674 10.294 -1.338 1.00 0.00 C ATOM 1342 C GLN A 88 -4.042 9.834 -0.850 1.00 0.00 C ATOM 1343 O GLN A 88 -4.174 8.754 -0.276 1.00 0.00 O ATOM 1344 CB GLN A 88 -1.729 10.460 -0.145 1.00 0.00 C ATOM 1345 CG GLN A 88 -0.320 10.884 -0.522 1.00 0.00 C ATOM 1346 CD GLN A 88 0.349 9.900 -1.463 1.00 0.00 C ATOM 1347 OE1 GLN A 88 0.316 8.688 -1.242 1.00 0.00 O ATOM 1348 NE2 GLN A 88 0.965 10.419 -2.520 1.00 0.00 N ATOM 0 H GLN A 88 -2.728 12.383 -1.515 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.273 9.535 -2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.149 11.200 0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.679 9.517 0.399 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.353 11.867 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.281 10.983 0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.967 11.429 -2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.435 9.808 -3.187 1.00 0.00 H new ATOM 1357 N GLY A 89 -5.055 10.662 -1.083 1.00 0.00 N ATOM 1358 CA GLY A 89 -6.412 10.350 -0.653 1.00 0.00 C ATOM 1359 C GLY A 89 -7.164 11.610 -0.238 1.00 0.00 C ATOM 1360 O GLY A 89 -6.765 12.722 -0.590 1.00 0.00 O ATOM 0 H GLY A 89 -4.961 11.555 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.948 9.854 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.380 9.651 0.183 1.00 0.00 H new ATOM 1364 N ARG A 90 -8.246 11.427 0.508 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.037 12.553 0.992 1.00 0.00 C ATOM 1366 C ARG A 90 -9.725 12.218 2.311 1.00 0.00 C ATOM 1367 O ARG A 90 -9.890 11.044 2.655 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.035 13.043 -0.048 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.121 12.043 -0.412 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.078 12.527 -1.440 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.168 11.609 -1.729 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.120 11.819 -2.658 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.144 12.928 -3.364 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.045 10.890 -2.826 1.00 0.00 N ATOM 0 H ARG A 90 -8.596 10.512 0.791 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.345 13.375 1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.508 13.952 0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.491 13.313 -0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.650 11.128 -0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.675 11.782 0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.498 13.477 -1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.532 12.724 -2.362 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.215 10.744 -1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.435 13.645 -3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.872 13.071 -4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.025 10.042 -2.259 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.779 11.021 -3.522 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.121 13.250 3.044 1.00 0.00 N ATOM 1389 CA VAL A 91 -10.860 13.066 4.288 1.00 0.00 C ATOM 1390 C VAL A 91 -11.850 14.204 4.512 1.00 0.00 C ATOM 1391 O VAL A 91 -11.529 15.369 4.289 1.00 0.00 O ATOM 1392 CB VAL A 91 -9.915 12.974 5.501 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.126 14.267 5.660 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -10.699 12.672 6.768 1.00 0.00 C ATOM 0 H VAL A 91 -9.943 14.224 2.799 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.404 12.126 4.194 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.213 12.158 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.463 14.185 6.521 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.534 14.445 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.815 15.098 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.014 12.611 7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.424 13.466 6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.221 11.722 6.655 1.00 0.00 H new ATOM 1404 N SER A 92 -13.053 13.855 4.957 1.00 0.00 N ATOM 1405 CA SER A 92 -14.126 14.828 5.105 1.00 0.00 C ATOM 1406 C SER A 92 -14.673 14.840 6.525 1.00 0.00 C ATOM 1407 O SER A 92 -14.826 13.792 7.151 1.00 0.00 O ATOM 1408 CB SER A 92 -15.236 14.535 4.115 1.00 0.00 C ATOM 1409 OG SER A 92 -16.346 15.369 4.305 1.00 0.00 O ATOM 0 H SER A 92 -13.308 12.903 5.221 1.00 0.00 H new ATOM 0 HA SER A 92 -13.715 15.816 4.898 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.858 14.660 3.100 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.544 13.494 4.214 1.00 0.00 H new ATOM 0 HG SER A 92 -17.037 15.149 3.646 1.00 0.00 H new ATOM 1415 N CYS A 93 -14.965 16.032 7.031 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.553 16.181 8.360 1.00 0.00 C ATOM 1417 C CYS A 93 -16.691 17.191 8.350 1.00 0.00 C ATOM 1418 O CYS A 93 -16.571 18.272 7.771 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.382 16.701 9.193 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.791 17.069 10.916 1.00 0.00 S ATOM 0 H CYS A 93 -14.804 16.912 6.541 1.00 0.00 H new ATOM 0 HA CYS A 93 -15.985 15.255 8.741 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.582 15.961 9.173 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.992 17.605 8.724 1.00 0.00 H new ATOM 0 HG CYS A 93 -14.760 18.355 11.104 1.00 0.00 H new ATOM 1426 N THR A 94 -17.797 16.835 8.995 1.00 0.00 N ATOM 1427 CA THR A 94 -18.988 17.676 8.990 1.00 0.00 C ATOM 1428 C THR A 94 -18.909 18.751 10.066 1.00 0.00 C ATOM 1429 O THR A 94 -18.850 18.445 11.260 1.00 0.00 O ATOM 1430 CB THR A 94 -20.267 16.844 9.203 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.388 15.872 8.156 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.494 17.743 9.199 1.00 0.00 C ATOM 0 H THR A 94 -17.893 15.970 9.527 1.00 0.00 H new ATOM 0 HA THR A 94 -19.033 18.151 8.010 1.00 0.00 H new ATOM 0 HB THR A 94 -20.200 16.342 10.168 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.201 15.342 8.294 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.388 17.139 9.351 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.411 18.476 10.002 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.563 18.260 8.242 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.901 20.011 9.642 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.776 21.131 10.566 1.00 0.00 C ATOM 1442 C GLY A 95 -20.142 21.617 11.031 1.00 0.00 C ATOM 1443 O GLY A 95 -20.499 22.778 10.827 1.00 0.00 O ATOM 0 H GLY A 95 -18.980 20.281 8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -18.182 20.830 11.428 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.242 21.948 10.081 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.902 20.725 11.657 1.00 0.00 N ATOM 1448 CA ARG A 96 -22.240 21.059 12.135 1.00 0.00 C ATOM 1449 C ARG A 96 -22.196 22.193 13.148 1.00 0.00 C ATOM 1450 O ARG A 96 -21.719 22.020 14.269 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.969 19.845 12.692 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.472 20.018 12.843 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.885 20.738 14.076 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.322 20.813 14.278 1.00 0.00 N ATOM 1455 CZ ARG A 96 -27.126 21.743 13.725 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.634 22.699 12.968 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.420 21.683 13.984 1.00 0.00 N ATOM 0 H ARG A 96 -20.615 19.765 11.846 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.811 21.403 11.273 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.779 18.993 12.039 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -22.546 19.600 13.666 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.852 20.559 11.976 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.941 19.034 12.836 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.435 20.244 14.937 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.482 21.750 14.042 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.753 20.112 14.881 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.630 22.744 12.792 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -27.256 23.395 12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.786 20.947 14.588 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -29.053 22.373 13.580 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.696 23.357 12.747 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.824 24.489 13.657 1.00 0.00 C ATOM 1473 C LEU A 97 -24.277 24.929 13.787 1.00 0.00 C ATOM 1474 O LEU A 97 -24.973 25.114 12.783 1.00 0.00 O ATOM 1475 CB LEU A 97 -21.954 25.657 13.177 1.00 0.00 C ATOM 1476 CG LEU A 97 -20.555 25.730 13.804 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -19.570 24.912 12.980 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -20.111 27.182 13.891 1.00 0.00 C ATOM 0 H LEU A 97 -23.019 23.541 11.797 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.479 24.172 14.641 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.846 25.588 12.095 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.478 26.590 13.387 1.00 0.00 H new ATOM 0 HG LEU A 97 -20.586 25.313 14.811 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -18.580 24.970 13.433 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -19.895 23.872 12.951 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -19.528 25.307 11.965 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -19.117 27.233 14.336 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.083 27.614 12.891 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -20.814 27.741 14.508 1.00 0.00 H new ATOM 1490 N MET A 98 -24.734 25.097 15.022 1.00 0.00 N ATOM 1491 CA MET A 98 -26.134 25.407 15.289 1.00 0.00 C ATOM 1492 C MET A 98 -26.297 26.841 15.777 1.00 0.00 C ATOM 1493 O MET A 98 -25.489 27.337 16.562 1.00 0.00 O ATOM 1494 CB MET A 98 -26.702 24.432 16.319 1.00 0.00 C ATOM 1495 CG MET A 98 -28.187 24.610 16.602 1.00 0.00 C ATOM 1496 SD MET A 98 -28.510 25.857 17.864 1.00 0.00 S ATOM 1497 CE MET A 98 -28.354 24.878 19.355 1.00 0.00 C ATOM 0 H MET A 98 -24.153 25.024 15.857 1.00 0.00 H new ATOM 0 HA MET A 98 -26.687 25.303 14.356 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.531 23.414 15.970 1.00 0.00 H new ATOM 0 HB3 MET A 98 -26.151 24.546 17.252 1.00 0.00 H new ATOM 0 HG2 MET A 98 -28.697 24.891 15.681 1.00 0.00 H new ATOM 0 HG3 MET A 98 -28.609 23.657 16.922 1.00 0.00 H new ATOM 0 HE1 MET A 98 -28.119 25.531 20.196 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.293 24.359 19.550 1.00 0.00 H new ATOM 0 HE3 MET A 98 -27.555 24.147 19.228 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.348 27.503 15.308 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.601 28.894 15.665 1.00 0.00 C ATOM 1509 C VAL A 99 -28.905 29.036 16.438 1.00 0.00 C ATOM 1510 O VAL A 99 -29.937 28.502 16.038 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.654 29.798 14.419 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -27.962 31.235 14.816 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.341 29.729 13.654 1.00 0.00 C ATOM 0 H VAL A 99 -28.040 27.098 14.678 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.771 29.211 16.297 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.452 29.440 13.768 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -27.996 31.860 13.923 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -28.926 31.274 15.323 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.185 31.602 15.487 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.397 30.374 12.777 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.527 30.062 14.298 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.157 28.702 13.338 1.00 0.00 H new ATOM 1523 N GLN A 100 -28.850 29.762 17.551 1.00 0.00 N ATOM 1524 CA GLN A 100 -30.036 30.019 18.357 1.00 0.00 C ATOM 1525 C GLN A 100 -30.488 31.467 18.228 1.00 0.00 C ATOM 1526 O GLN A 100 -29.690 32.396 18.377 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.766 29.693 19.828 1.00 0.00 C ATOM 1528 CG GLN A 100 -30.975 29.846 20.733 1.00 0.00 C ATOM 1529 CD GLN A 100 -30.682 29.445 22.166 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -29.560 29.054 22.498 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -31.692 29.536 23.023 1.00 0.00 N ATOM 0 H GLN A 100 -27.995 30.183 17.914 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.832 29.374 17.986 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -29.400 28.669 19.900 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -28.970 30.342 20.192 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -31.313 30.882 20.711 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -31.792 29.236 20.348 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -32.603 29.865 22.704 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -31.557 29.277 24.000 1.00 0.00 H new