USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1008 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: B 85 THR OG1 : rot -91:sc= 1.19 USER MOD Set 1.2: B 117 ASN : amide:sc= -8.45! C(o=-7.3!,f=-12!) USER MOD Set 2.1: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 49 GLN : amide:sc= -4.13! C(o=-7.2!,f=-12!) USER MOD Set 3.2: A 50 MET CE :methyl 143:sc= -3.1 (180deg=-2.72!) USER MOD Set 4.1: A 33 LYS NZ :NH3+ -127:sc= -4.28! (180deg=-4.37!) USER MOD Set 4.2: B 101 HIS : no HD1:sc= -4.21! C(o=-8.5!,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.33 (180deg=1.04) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= -3.77! (180deg=-4.44!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= -0.825! (180deg=-0.968!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -1.91! K(o=-1.9!,f=0.22) USER MOD Single : A 41 GLN : amide:sc= -0.0637 K(o=-0.064,f=-3.6!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -2.53! C(o=-2.5!,f=-5!) USER MOD Single : A 55 THR OG1 : rot -43:sc= 0.591 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -139:sc= 0.686 USER MOD Single : A 68 HIS : no HD1:sc= -0.607 K(o=-0.61,f=-1.5) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0 USER MOD Single : B 99 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.0081) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 108 GLN : amide:sc= -1.75! C(o=-1.7!,f=-5.8!) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 113 CYS SG : rot 180:sc= -0.232 USER MOD Single : B 118 GLN : amide:sc= -10.3! C(o=-10!,f=-13!) USER MOD Single : B 120 SER OG : rot 66:sc= 0.881 USER MOD Single : B 125 SER OG : rot 157:sc= 1.16 USER MOD Single : B 127 ASN : amide:sc= -0.205 K(o=-0.2,f=0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.643 5.296 14.009 1.00 0.00 N ATOM 2 CA MET A 1 -11.887 3.931 13.471 1.00 0.00 C ATOM 3 C MET A 1 -10.669 3.419 12.711 1.00 0.00 C ATOM 4 O MET A 1 -9.922 4.203 12.119 1.00 0.00 O ATOM 5 CB MET A 1 -13.110 3.932 12.547 1.00 0.00 C ATOM 6 CG MET A 1 -14.440 4.013 13.284 1.00 0.00 C ATOM 7 SD MET A 1 -14.657 5.571 14.165 1.00 0.00 S ATOM 8 CE MET A 1 -16.270 5.321 14.903 1.00 0.00 C ATOM 0 H1 MET A 1 -12.550 5.736 14.263 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.040 5.233 14.854 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.168 5.874 13.287 1.00 0.00 H new ATOM 0 HA MET A 1 -12.075 3.267 14.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.034 4.776 11.861 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.096 3.026 11.941 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.254 3.888 12.570 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.508 3.188 13.993 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.545 6.202 15.483 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.008 5.158 14.118 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.239 4.451 15.558 1.00 0.00 H new ATOM 20 N LEU A 2 -10.480 2.096 12.735 1.00 0.00 N ATOM 21 CA LEU A 2 -9.356 1.452 12.055 1.00 0.00 C ATOM 22 C LEU A 2 -9.839 0.307 11.171 1.00 0.00 C ATOM 23 O LEU A 2 -10.808 -0.381 11.507 1.00 0.00 O ATOM 24 CB LEU A 2 -8.338 0.926 13.078 1.00 0.00 C ATOM 25 CG LEU A 2 -7.582 2.000 13.874 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.360 2.402 15.121 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.194 1.502 14.248 1.00 0.00 C ATOM 0 H LEU A 2 -11.098 1.447 13.223 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.873 2.199 11.425 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.859 0.277 13.782 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.609 0.308 12.554 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.477 2.882 13.243 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.804 3.164 15.667 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.332 2.801 14.831 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.502 1.529 15.758 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.670 2.274 14.812 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.282 0.603 14.859 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.634 1.271 13.342 1.00 0.00 H new ATOM 39 N ILE A 3 -9.155 0.116 10.038 1.00 0.00 N ATOM 40 CA ILE A 3 -9.495 -0.946 9.082 1.00 0.00 C ATOM 41 C ILE A 3 -8.239 -1.506 8.411 1.00 0.00 C ATOM 42 O ILE A 3 -7.228 -0.808 8.291 1.00 0.00 O ATOM 43 CB ILE A 3 -10.504 -0.474 7.991 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.147 0.920 7.432 1.00 0.00 C ATOM 45 CG2 ILE A 3 -11.919 -0.475 8.559 1.00 0.00 C ATOM 46 CD1 ILE A 3 -10.356 1.052 5.937 1.00 0.00 C ATOM 0 H ILE A 3 -8.357 0.687 9.758 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.978 -1.732 9.663 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.446 -1.176 7.159 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.751 1.671 7.941 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.105 1.138 7.664 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.619 -0.144 7.792 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.182 -1.483 8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.969 0.202 9.412 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.084 2.058 5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.731 0.326 5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.403 0.867 5.698 1.00 0.00 H new ATOM 58 N LYS A 4 -8.320 -2.768 7.976 1.00 0.00 N ATOM 59 CA LYS A 4 -7.195 -3.437 7.317 1.00 0.00 C ATOM 60 C LYS A 4 -7.578 -3.892 5.913 1.00 0.00 C ATOM 61 O LYS A 4 -8.584 -4.585 5.730 1.00 0.00 O ATOM 62 CB LYS A 4 -6.726 -4.642 8.143 1.00 0.00 C ATOM 63 CG LYS A 4 -6.050 -4.270 9.461 1.00 0.00 C ATOM 64 CD LYS A 4 -5.675 -5.504 10.277 1.00 0.00 C ATOM 65 CE LYS A 4 -6.782 -5.903 11.248 1.00 0.00 C ATOM 66 NZ LYS A 4 -6.413 -7.103 12.049 1.00 0.00 N1+ ATOM 0 H LYS A 4 -9.155 -3.347 8.069 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.379 -2.719 7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.584 -5.280 8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.031 -5.231 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.154 -3.684 9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.718 -3.637 10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.466 -6.335 9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.758 -5.307 10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.994 -5.070 11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.697 -6.105 10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.191 -7.341 12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.235 -7.905 11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.554 -6.902 12.600 1.00 0.00 H new ATOM 80 N VAL A 5 -6.768 -3.492 4.924 1.00 0.00 N ATOM 81 CA VAL A 5 -7.009 -3.862 3.524 1.00 0.00 C ATOM 82 C VAL A 5 -6.101 -5.032 3.125 1.00 0.00 C ATOM 83 O VAL A 5 -4.989 -5.170 3.642 1.00 0.00 O ATOM 84 CB VAL A 5 -6.783 -2.666 2.545 1.00 0.00 C ATOM 85 CG1 VAL A 5 -7.382 -2.950 1.168 1.00 0.00 C ATOM 86 CG2 VAL A 5 -7.364 -1.369 3.100 1.00 0.00 C ATOM 0 H VAL A 5 -5.941 -2.913 5.068 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.055 -4.158 3.446 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.705 -2.547 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.207 -2.097 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.913 -3.837 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.455 -3.118 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.188 -0.559 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.436 -1.488 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.884 -1.132 4.049 1.00 0.00 H new ATOM 96 N LYS A 6 -6.595 -5.868 2.205 1.00 0.00 N ATOM 97 CA LYS A 6 -5.850 -7.030 1.723 1.00 0.00 C ATOM 98 C LYS A 6 -5.501 -6.883 0.245 1.00 0.00 C ATOM 99 O LYS A 6 -6.379 -6.646 -0.593 1.00 0.00 O ATOM 100 CB LYS A 6 -6.656 -8.314 1.948 1.00 0.00 C ATOM 101 CG LYS A 6 -6.588 -8.835 3.374 1.00 0.00 C ATOM 102 CD LYS A 6 -7.487 -10.044 3.571 1.00 0.00 C ATOM 103 CE LYS A 6 -7.358 -10.610 4.976 1.00 0.00 C ATOM 104 NZ LYS A 6 -8.266 -11.770 5.194 1.00 0.00 N1+ ATOM 0 H LYS A 6 -7.515 -5.757 1.778 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.921 -7.091 2.290 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.698 -8.129 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.290 -9.086 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.559 -9.103 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.883 -8.045 4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.523 -9.763 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.230 -10.813 2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.327 -10.919 5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.584 -9.830 5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.147 -12.126 6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.252 -11.470 5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.034 -12.525 4.517 1.00 0.00 H new ATOM 118 N THR A 7 -4.205 -7.024 -0.054 1.00 0.00 N ATOM 119 CA THR A 7 -3.696 -6.919 -1.423 1.00 0.00 C ATOM 120 C THR A 7 -3.594 -8.300 -2.076 1.00 0.00 C ATOM 121 O THR A 7 -3.505 -9.320 -1.383 1.00 0.00 O ATOM 122 CB THR A 7 -2.307 -6.236 -1.466 1.00 0.00 C ATOM 123 OG1 THR A 7 -2.043 -5.546 -0.235 1.00 0.00 O ATOM 124 CG2 THR A 7 -2.229 -5.245 -2.616 1.00 0.00 C ATOM 0 H THR A 7 -3.484 -7.213 0.643 1.00 0.00 H new ATOM 0 HA THR A 7 -4.406 -6.305 -1.977 1.00 0.00 H new ATOM 0 HB THR A 7 -1.560 -7.016 -1.611 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.826 -6.197 0.465 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.245 -4.777 -2.627 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.393 -5.768 -3.558 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.994 -4.479 -2.488 1.00 0.00 H new ATOM 132 N LEU A 8 -3.585 -8.318 -3.419 1.00 0.00 N ATOM 133 CA LEU A 8 -3.505 -9.565 -4.202 1.00 0.00 C ATOM 134 C LEU A 8 -2.126 -10.243 -4.101 1.00 0.00 C ATOM 135 O LEU A 8 -1.953 -11.373 -4.571 1.00 0.00 O ATOM 136 CB LEU A 8 -3.837 -9.282 -5.675 1.00 0.00 C ATOM 137 CG LEU A 8 -5.289 -8.876 -5.962 1.00 0.00 C ATOM 138 CD1 LEU A 8 -5.357 -7.977 -7.186 1.00 0.00 C ATOM 139 CD2 LEU A 8 -6.165 -10.108 -6.165 1.00 0.00 C ATOM 0 H LEU A 8 -3.633 -7.475 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.236 -10.254 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.180 -8.489 -6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.606 -10.173 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.664 -8.324 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.394 -7.698 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.766 -7.078 -7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.960 -8.509 -8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.190 -9.796 -6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.789 -10.687 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.143 -10.722 -5.265 1.00 0.00 H new ATOM 151 N THR A 9 -1.161 -9.550 -3.483 1.00 0.00 N ATOM 152 CA THR A 9 0.198 -10.077 -3.311 1.00 0.00 C ATOM 153 C THR A 9 0.340 -10.835 -1.981 1.00 0.00 C ATOM 154 O THR A 9 1.324 -11.555 -1.778 1.00 0.00 O ATOM 155 CB THR A 9 1.258 -8.946 -3.369 1.00 0.00 C ATOM 156 OG1 THR A 9 0.794 -7.870 -4.197 1.00 0.00 O ATOM 157 CG2 THR A 9 2.585 -9.460 -3.921 1.00 0.00 C ATOM 0 H THR A 9 -1.298 -8.618 -3.092 1.00 0.00 H new ATOM 0 HA THR A 9 0.372 -10.768 -4.136 1.00 0.00 H new ATOM 0 HB THR A 9 1.413 -8.589 -2.351 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.471 -7.162 -4.224 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.308 -8.644 -3.949 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.962 -10.256 -3.279 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.434 -9.847 -4.929 1.00 0.00 H new ATOM 165 N GLY A 10 -0.646 -10.667 -1.085 1.00 0.00 N ATOM 166 CA GLY A 10 -0.619 -11.335 0.212 1.00 0.00 C ATOM 167 C GLY A 10 -0.040 -10.459 1.310 1.00 0.00 C ATOM 168 O GLY A 10 0.767 -10.924 2.120 1.00 0.00 O ATOM 0 H GLY A 10 -1.464 -10.077 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.632 -11.631 0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.030 -12.249 0.133 1.00 0.00 H new ATOM 172 N LYS A 11 -0.459 -9.189 1.327 1.00 0.00 N ATOM 173 CA LYS A 11 0.006 -8.216 2.316 1.00 0.00 C ATOM 174 C LYS A 11 -1.166 -7.409 2.868 1.00 0.00 C ATOM 175 O LYS A 11 -1.937 -6.822 2.102 1.00 0.00 O ATOM 176 CB LYS A 11 1.031 -7.273 1.685 1.00 0.00 C ATOM 177 CG LYS A 11 2.400 -7.356 2.336 1.00 0.00 C ATOM 178 CD LYS A 11 3.467 -6.712 1.469 1.00 0.00 C ATOM 179 CE LYS A 11 4.855 -6.969 2.023 1.00 0.00 C ATOM 180 NZ LYS A 11 5.906 -6.290 1.219 1.00 0.00 N1+ ATOM 0 H LYS A 11 -1.128 -8.810 0.657 1.00 0.00 H new ATOM 0 HA LYS A 11 0.475 -8.759 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.125 -7.506 0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.664 -6.249 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.373 -6.863 3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.656 -8.400 2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.400 -7.104 0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.290 -5.638 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.905 -6.620 3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.047 -8.042 2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.787 -6.242 1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.074 -6.826 0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.593 -5.327 0.981 1.00 0.00 H new ATOM 194 N GLU A 12 -1.297 -7.394 4.198 1.00 0.00 N ATOM 195 CA GLU A 12 -2.364 -6.644 4.865 1.00 0.00 C ATOM 196 C GLU A 12 -1.907 -5.210 5.149 1.00 0.00 C ATOM 197 O GLU A 12 -1.024 -4.989 5.983 1.00 0.00 O ATOM 198 CB GLU A 12 -2.786 -7.340 6.170 1.00 0.00 C ATOM 199 CG GLU A 12 -3.637 -8.583 5.959 1.00 0.00 C ATOM 200 CD GLU A 12 -3.974 -9.287 7.259 1.00 0.00 C ATOM 201 OE1 GLU A 12 -3.193 -10.167 7.678 1.00 0.00 O1- ATOM 202 OE2 GLU A 12 -5.019 -8.957 7.859 1.00 0.00 O ATOM 0 H GLU A 12 -0.676 -7.894 4.834 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.228 -6.612 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.892 -7.615 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.341 -6.632 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.560 -8.305 5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.108 -9.274 5.303 1.00 0.00 H new ATOM 209 N ILE A 13 -2.547 -4.242 4.472 1.00 0.00 N ATOM 210 CA ILE A 13 -2.219 -2.814 4.619 1.00 0.00 C ATOM 211 C ILE A 13 -3.023 -2.245 5.805 1.00 0.00 C ATOM 212 O ILE A 13 -4.188 -2.613 5.997 1.00 0.00 O ATOM 213 CB ILE A 13 -2.599 -2.022 3.330 1.00 0.00 C ATOM 214 CG1 ILE A 13 -1.805 -2.548 2.116 1.00 0.00 C ATOM 215 CG2 ILE A 13 -2.385 -0.515 3.509 1.00 0.00 C ATOM 216 CD1 ILE A 13 -2.525 -2.375 0.788 1.00 0.00 C ATOM 0 H ILE A 13 -3.302 -4.426 3.811 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.147 -2.713 4.789 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.661 -2.181 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.847 -2.030 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.589 -3.606 2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.660 0.003 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.006 -0.154 4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.337 -0.321 3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.904 -2.768 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.471 -2.916 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.717 -1.316 0.614 1.00 0.00 H new ATOM 228 N GLU A 14 -2.401 -1.353 6.580 1.00 0.00 N ATOM 229 CA GLU A 14 -3.053 -0.756 7.748 1.00 0.00 C ATOM 230 C GLU A 14 -3.374 0.724 7.534 1.00 0.00 C ATOM 231 O GLU A 14 -2.494 1.513 7.180 1.00 0.00 O ATOM 232 CB GLU A 14 -2.159 -0.928 8.980 1.00 0.00 C ATOM 233 CG GLU A 14 -2.263 -2.301 9.623 1.00 0.00 C ATOM 234 CD GLU A 14 -1.366 -2.446 10.837 1.00 0.00 C ATOM 235 OE1 GLU A 14 -1.825 -2.128 11.954 1.00 0.00 O ATOM 236 OE2 GLU A 14 -0.206 -2.877 10.671 1.00 0.00 O1- ATOM 0 H GLU A 14 -1.447 -1.028 6.420 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.000 -1.274 7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.123 -0.748 8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.422 -0.170 9.718 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.297 -2.484 9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.001 -3.063 8.889 1.00 0.00 H new ATOM 243 N ILE A 15 -4.650 1.085 7.752 1.00 0.00 N ATOM 244 CA ILE A 15 -5.115 2.475 7.604 1.00 0.00 C ATOM 245 C ILE A 15 -6.276 2.790 8.534 1.00 0.00 C ATOM 246 O ILE A 15 -6.942 1.883 9.044 1.00 0.00 O ATOM 247 CB ILE A 15 -5.551 2.853 6.162 1.00 0.00 C ATOM 248 CG1 ILE A 15 -6.076 1.650 5.356 1.00 0.00 C ATOM 249 CG2 ILE A 15 -4.399 3.528 5.456 1.00 0.00 C ATOM 250 CD1 ILE A 15 -7.178 2.013 4.375 1.00 0.00 C ATOM 0 H ILE A 15 -5.380 0.431 8.032 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.238 3.068 7.864 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.391 3.543 6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.248 1.199 4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.450 0.895 6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.700 3.796 4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.116 4.429 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.549 2.847 5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.500 1.118 3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.023 2.436 4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.802 2.745 3.660 1.00 0.00 H new ATOM 262 N ASP A 16 -6.508 4.093 8.742 1.00 0.00 N ATOM 263 CA ASP A 16 -7.596 4.557 9.587 1.00 0.00 C ATOM 264 C ASP A 16 -8.422 5.639 8.886 1.00 0.00 C ATOM 265 O ASP A 16 -7.882 6.669 8.470 1.00 0.00 O ATOM 266 CB ASP A 16 -7.069 5.059 10.948 1.00 0.00 C ATOM 267 CG ASP A 16 -5.970 6.109 10.834 1.00 0.00 C ATOM 268 OD1 ASP A 16 -4.782 5.724 10.788 1.00 0.00 O1- ATOM 269 OD2 ASP A 16 -6.300 7.313 10.792 1.00 0.00 O ATOM 0 H ASP A 16 -5.949 4.841 8.331 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.252 3.707 9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.900 5.477 11.517 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.689 4.209 11.516 1.00 0.00 H new ATOM 274 N ILE A 17 -9.732 5.389 8.761 1.00 0.00 N ATOM 275 CA ILE A 17 -10.657 6.329 8.108 1.00 0.00 C ATOM 276 C ILE A 17 -12.038 6.323 8.780 1.00 0.00 C ATOM 277 O ILE A 17 -12.346 5.428 9.574 1.00 0.00 O ATOM 278 CB ILE A 17 -10.811 6.045 6.577 1.00 0.00 C ATOM 279 CG1 ILE A 17 -10.980 4.541 6.265 1.00 0.00 C ATOM 280 CG2 ILE A 17 -9.617 6.604 5.818 1.00 0.00 C ATOM 281 CD1 ILE A 17 -12.419 4.064 6.292 1.00 0.00 C ATOM 0 H ILE A 17 -10.179 4.539 9.105 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.214 7.318 8.225 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.723 6.545 6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.558 4.335 5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.403 3.963 6.987 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.735 6.401 4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.556 7.681 5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.703 6.132 6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.454 2.999 6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.841 4.236 7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.998 4.613 5.550 1.00 0.00 H new ATOM 293 N GLU A 18 -12.860 7.330 8.448 1.00 0.00 N ATOM 294 CA GLU A 18 -14.211 7.459 9.004 1.00 0.00 C ATOM 295 C GLU A 18 -15.259 6.856 8.053 1.00 0.00 C ATOM 296 O GLU A 18 -15.046 6.845 6.837 1.00 0.00 O ATOM 297 CB GLU A 18 -14.539 8.930 9.278 1.00 0.00 C ATOM 298 CG GLU A 18 -13.841 9.498 10.505 1.00 0.00 C ATOM 299 CD GLU A 18 -14.187 10.954 10.751 1.00 0.00 C ATOM 300 OE1 GLU A 18 -15.175 11.215 11.468 1.00 0.00 O1- ATOM 301 OE2 GLU A 18 -13.469 11.831 10.226 1.00 0.00 O ATOM 0 H GLU A 18 -12.608 8.070 7.793 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.241 6.907 9.944 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.261 9.523 8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.617 9.035 9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.117 8.910 11.380 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.762 9.400 10.383 1.00 0.00 H new ATOM 308 N PRO A 19 -16.413 6.343 8.588 1.00 0.00 N ATOM 309 CA PRO A 19 -17.481 5.734 7.758 1.00 0.00 C ATOM 310 C PRO A 19 -18.240 6.733 6.865 1.00 0.00 C ATOM 311 O PRO A 19 -18.891 6.327 5.896 1.00 0.00 O ATOM 312 CB PRO A 19 -18.434 5.119 8.794 1.00 0.00 C ATOM 313 CG PRO A 19 -18.205 5.891 10.049 1.00 0.00 C ATOM 314 CD PRO A 19 -16.757 6.294 10.034 1.00 0.00 C ATOM 0 HA PRO A 19 -17.056 5.022 7.051 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -19.471 5.197 8.469 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.224 4.059 8.941 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.853 6.767 10.091 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.431 5.285 10.926 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.607 7.261 10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.137 5.574 10.568 1.00 0.00 H new ATOM 322 N THR A 20 -18.145 8.028 7.196 1.00 0.00 N ATOM 323 CA THR A 20 -18.831 9.089 6.438 1.00 0.00 C ATOM 324 C THR A 20 -17.999 9.596 5.256 1.00 0.00 C ATOM 325 O THR A 20 -18.477 10.410 4.459 1.00 0.00 O ATOM 326 CB THR A 20 -19.188 10.285 7.347 1.00 0.00 C ATOM 327 OG1 THR A 20 -18.031 10.716 8.074 1.00 0.00 O ATOM 328 CG2 THR A 20 -20.296 9.918 8.321 1.00 0.00 C ATOM 0 H THR A 20 -17.598 8.369 7.986 1.00 0.00 H new ATOM 0 HA THR A 20 -19.743 8.637 6.049 1.00 0.00 H new ATOM 0 HB THR A 20 -19.540 11.098 6.711 1.00 0.00 H new ATOM 0 HG1 THR A 20 -18.268 11.476 8.646 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.528 10.778 8.949 1.00 0.00 H new ATOM 0 HG22 THR A 20 -21.186 9.624 7.765 1.00 0.00 H new ATOM 0 HG23 THR A 20 -19.969 9.088 8.948 1.00 0.00 H new ATOM 336 N ASP A 21 -16.760 9.105 5.147 1.00 0.00 N ATOM 337 CA ASP A 21 -15.853 9.495 4.063 1.00 0.00 C ATOM 338 C ASP A 21 -16.110 8.671 2.799 1.00 0.00 C ATOM 339 O ASP A 21 -16.578 7.531 2.877 1.00 0.00 O ATOM 340 CB ASP A 21 -14.396 9.337 4.503 1.00 0.00 C ATOM 341 CG ASP A 21 -13.948 10.450 5.429 1.00 0.00 C ATOM 342 OD1 ASP A 21 -14.325 10.421 6.618 1.00 0.00 O1- ATOM 343 OD2 ASP A 21 -13.222 11.353 4.964 1.00 0.00 O ATOM 0 H ASP A 21 -16.361 8.432 5.801 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.044 10.543 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.273 8.378 5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.753 9.320 3.623 1.00 0.00 H new ATOM 348 N LYS A 22 -15.796 9.266 1.641 1.00 0.00 N ATOM 349 CA LYS A 22 -15.983 8.616 0.338 1.00 0.00 C ATOM 350 C LYS A 22 -14.867 7.613 0.055 1.00 0.00 C ATOM 351 O LYS A 22 -13.731 7.797 0.502 1.00 0.00 O ATOM 352 CB LYS A 22 -16.031 9.667 -0.778 1.00 0.00 C ATOM 353 CG LYS A 22 -17.330 10.464 -0.822 1.00 0.00 C ATOM 354 CD LYS A 22 -18.250 9.967 -1.928 1.00 0.00 C ATOM 355 CE LYS A 22 -19.603 10.664 -1.894 1.00 0.00 C ATOM 356 NZ LYS A 22 -19.521 12.076 -2.366 1.00 0.00 N1+ ATOM 0 H LYS A 22 -15.407 10.207 1.581 1.00 0.00 H new ATOM 0 HA LYS A 22 -16.930 8.077 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.197 10.357 -0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.889 9.170 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.839 10.386 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.106 11.519 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.779 10.136 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.393 8.891 -1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.309 10.115 -2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.994 10.645 -0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.465 12.511 -2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.868 12.608 -1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.173 12.095 -3.346 1.00 0.00 H new ATOM 370 N VAL A 23 -15.203 6.559 -0.708 1.00 0.00 N ATOM 371 CA VAL A 23 -14.243 5.495 -1.064 1.00 0.00 C ATOM 372 C VAL A 23 -13.028 6.070 -1.810 1.00 0.00 C ATOM 373 O VAL A 23 -11.896 5.661 -1.550 1.00 0.00 O ATOM 374 CB VAL A 23 -14.897 4.366 -1.921 1.00 0.00 C ATOM 375 CG1 VAL A 23 -14.012 3.122 -1.963 1.00 0.00 C ATOM 376 CG2 VAL A 23 -16.277 3.989 -1.392 1.00 0.00 C ATOM 0 H VAL A 23 -16.137 6.419 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.912 5.055 -0.123 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.006 4.760 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.494 2.353 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.047 3.377 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.863 2.747 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.702 3.200 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.189 3.634 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -16.928 4.863 -1.419 1.00 0.00 H new ATOM 386 N GLU A 24 -13.277 7.037 -2.713 1.00 0.00 N ATOM 387 CA GLU A 24 -12.206 7.687 -3.498 1.00 0.00 C ATOM 388 C GLU A 24 -11.167 8.373 -2.592 1.00 0.00 C ATOM 389 O GLU A 24 -9.990 8.480 -2.957 1.00 0.00 O ATOM 390 CB GLU A 24 -12.786 8.694 -4.517 1.00 0.00 C ATOM 391 CG GLU A 24 -13.793 9.695 -3.950 1.00 0.00 C ATOM 392 CD GLU A 24 -14.211 10.740 -4.967 1.00 0.00 C ATOM 393 OE1 GLU A 24 -15.200 10.501 -5.691 1.00 0.00 O1- ATOM 394 OE2 GLU A 24 -13.549 11.796 -5.039 1.00 0.00 O ATOM 0 H GLU A 24 -14.213 7.387 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.696 6.898 -4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.961 9.248 -4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.267 8.136 -5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.676 9.159 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.358 10.191 -3.082 1.00 0.00 H new ATOM 401 N ARG A 25 -11.614 8.816 -1.403 1.00 0.00 N ATOM 402 CA ARG A 25 -10.733 9.468 -0.427 1.00 0.00 C ATOM 403 C ARG A 25 -9.847 8.422 0.257 1.00 0.00 C ATOM 404 O ARG A 25 -8.649 8.650 0.477 1.00 0.00 O ATOM 405 CB ARG A 25 -11.562 10.241 0.614 1.00 0.00 C ATOM 406 CG ARG A 25 -10.855 11.459 1.206 1.00 0.00 C ATOM 407 CD ARG A 25 -11.066 12.707 0.359 1.00 0.00 C ATOM 408 NE ARG A 25 -10.409 13.884 0.938 1.00 0.00 N ATOM 409 CZ ARG A 25 -10.615 15.148 0.540 1.00 0.00 C ATOM 410 NH1 ARG A 25 -11.464 15.429 -0.447 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 -9.965 16.137 1.136 1.00 0.00 N ATOM 0 H ARG A 25 -12.584 8.732 -1.098 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.094 10.180 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.493 10.567 0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.830 9.562 1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.226 11.639 2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.788 11.254 1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.679 12.533 -0.645 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.134 12.901 0.259 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.747 13.730 1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.970 14.677 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.608 16.397 -0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.312 15.935 1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.118 17.100 0.838 1.00 0.00 H new ATOM 425 N ILE A 26 -10.451 7.263 0.568 1.00 0.00 N ATOM 426 CA ILE A 26 -9.734 6.138 1.185 1.00 0.00 C ATOM 427 C ILE A 26 -8.677 5.615 0.198 1.00 0.00 C ATOM 428 O ILE A 26 -7.583 5.214 0.601 1.00 0.00 O ATOM 429 CB ILE A 26 -10.708 4.986 1.603 1.00 0.00 C ATOM 430 CG1 ILE A 26 -11.849 5.535 2.487 1.00 0.00 C ATOM 431 CG2 ILE A 26 -9.953 3.876 2.349 1.00 0.00 C ATOM 432 CD1 ILE A 26 -13.141 4.735 2.425 1.00 0.00 C ATOM 0 H ILE A 26 -11.441 7.082 0.400 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.250 6.494 2.095 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.138 4.563 0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.506 5.566 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.059 6.562 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.650 3.087 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.179 3.464 1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.493 4.289 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.885 5.194 3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.513 4.724 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.952 3.713 2.753 1.00 0.00 H new ATOM 444 N LYS A 27 -9.020 5.669 -1.104 1.00 0.00 N ATOM 445 CA LYS A 27 -8.122 5.238 -2.192 1.00 0.00 C ATOM 446 C LYS A 27 -6.950 6.209 -2.321 1.00 0.00 C ATOM 447 O LYS A 27 -5.830 5.802 -2.640 1.00 0.00 O ATOM 448 CB LYS A 27 -8.874 5.148 -3.527 1.00 0.00 C ATOM 449 CG LYS A 27 -10.134 4.306 -3.469 1.00 0.00 C ATOM 450 CD LYS A 27 -10.628 3.932 -4.854 1.00 0.00 C ATOM 451 CE LYS A 27 -11.662 2.828 -4.773 1.00 0.00 C ATOM 452 NZ LYS A 27 -12.105 2.374 -6.121 1.00 0.00 N1+ ATOM 0 H LYS A 27 -9.924 6.011 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.744 4.246 -1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.136 6.154 -3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.206 4.733 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.939 3.400 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.914 4.855 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.060 4.807 -5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.789 3.607 -5.469 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.246 1.982 -4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.525 3.181 -4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.720 1.542 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.631 3.139 -6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.274 2.124 -6.694 1.00 0.00 H new ATOM 466 N GLU A 28 -7.227 7.505 -2.069 1.00 0.00 N ATOM 467 CA GLU A 28 -6.196 8.555 -2.095 1.00 0.00 C ATOM 468 C GLU A 28 -5.141 8.270 -1.021 1.00 0.00 C ATOM 469 O GLU A 28 -3.939 8.458 -1.248 1.00 0.00 O ATOM 470 CB GLU A 28 -6.822 9.940 -1.869 1.00 0.00 C ATOM 471 CG GLU A 28 -7.637 10.461 -3.049 1.00 0.00 C ATOM 472 CD GLU A 28 -6.774 11.044 -4.157 1.00 0.00 C ATOM 473 OE1 GLU A 28 -6.379 10.281 -5.065 1.00 0.00 O ATOM 474 OE2 GLU A 28 -6.495 12.260 -4.114 1.00 0.00 O1- ATOM 0 H GLU A 28 -8.161 7.847 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.721 8.553 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.465 9.896 -0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.028 10.653 -1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.239 9.648 -3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.330 11.225 -2.696 1.00 0.00 H new ATOM 481 N ARG A 29 -5.614 7.795 0.150 1.00 0.00 N ATOM 482 CA ARG A 29 -4.734 7.418 1.270 1.00 0.00 C ATOM 483 C ARG A 29 -3.879 6.210 0.873 1.00 0.00 C ATOM 484 O ARG A 29 -2.689 6.134 1.205 1.00 0.00 O ATOM 485 CB ARG A 29 -5.553 7.071 2.529 1.00 0.00 C ATOM 486 CG ARG A 29 -6.373 8.225 3.106 1.00 0.00 C ATOM 487 CD ARG A 29 -5.521 9.177 3.939 1.00 0.00 C ATOM 488 NE ARG A 29 -6.318 10.261 4.524 1.00 0.00 N ATOM 489 CZ ARG A 29 -5.908 11.060 5.519 1.00 0.00 C ATOM 490 NH1 ARG A 29 -4.700 10.917 6.064 1.00 0.00 N1+ ATOM 491 NH2 ARG A 29 -6.714 12.010 5.971 1.00 0.00 N ATOM 0 H ARG A 29 -6.607 7.664 0.343 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.093 8.270 1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.228 6.250 2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.871 6.709 3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.842 8.778 2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.177 7.824 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.028 8.619 4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.736 9.602 3.314 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.252 10.418 4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.070 10.190 5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.405 11.535 6.820 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.641 12.130 5.562 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.408 12.621 6.728 1.00 0.00 H new ATOM 505 N VAL A 30 -4.508 5.275 0.136 1.00 0.00 N ATOM 506 CA VAL A 30 -3.839 4.061 -0.355 1.00 0.00 C ATOM 507 C VAL A 30 -2.764 4.438 -1.392 1.00 0.00 C ATOM 508 O VAL A 30 -1.644 3.927 -1.340 1.00 0.00 O ATOM 509 CB VAL A 30 -4.856 3.045 -0.974 1.00 0.00 C ATOM 510 CG1 VAL A 30 -4.193 1.710 -1.297 1.00 0.00 C ATOM 511 CG2 VAL A 30 -6.041 2.803 -0.045 1.00 0.00 C ATOM 0 H VAL A 30 -5.490 5.342 -0.133 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.367 3.572 0.497 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.215 3.494 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.931 1.031 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.387 1.868 -2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.787 1.275 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.726 2.093 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.684 2.399 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.561 3.744 0.135 1.00 0.00 H new ATOM 521 N GLU A 31 -3.119 5.363 -2.309 1.00 0.00 N ATOM 522 CA GLU A 31 -2.202 5.851 -3.359 1.00 0.00 C ATOM 523 C GLU A 31 -0.911 6.417 -2.740 1.00 0.00 C ATOM 524 O GLU A 31 0.187 6.164 -3.237 1.00 0.00 O ATOM 525 CB GLU A 31 -2.906 6.931 -4.206 1.00 0.00 C ATOM 526 CG GLU A 31 -2.076 7.458 -5.380 1.00 0.00 C ATOM 527 CD GLU A 31 -2.652 8.717 -6.005 1.00 0.00 C ATOM 528 OE1 GLU A 31 -2.847 9.714 -5.274 1.00 0.00 O ATOM 529 OE2 GLU A 31 -2.892 8.713 -7.230 1.00 0.00 O1- ATOM 0 H GLU A 31 -4.045 5.790 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.931 5.012 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.839 6.521 -4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.169 7.768 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.062 7.662 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.004 6.682 -6.142 1.00 0.00 H new ATOM 536 N GLU A 32 -1.075 7.177 -1.652 1.00 0.00 N ATOM 537 CA GLU A 32 0.051 7.790 -0.930 1.00 0.00 C ATOM 538 C GLU A 32 0.911 6.743 -0.215 1.00 0.00 C ATOM 539 O GLU A 32 2.108 6.957 0.001 1.00 0.00 O ATOM 540 CB GLU A 32 -0.461 8.811 0.092 1.00 0.00 C ATOM 541 CG GLU A 32 -1.150 10.011 -0.535 1.00 0.00 C ATOM 542 CD GLU A 32 -1.254 11.189 0.414 1.00 0.00 C ATOM 543 OE1 GLU A 32 -0.322 12.019 0.435 1.00 0.00 O1- ATOM 544 OE2 GLU A 32 -2.269 11.282 1.136 1.00 0.00 O ATOM 0 H GLU A 32 -1.987 7.385 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 32 0.672 8.291 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.157 8.316 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.377 9.159 0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.601 10.315 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.150 9.722 -0.860 1.00 0.00 H new ATOM 551 N LYS A 33 0.284 5.615 0.146 1.00 0.00 N ATOM 552 CA LYS A 33 0.966 4.526 0.859 1.00 0.00 C ATOM 553 C LYS A 33 1.823 3.643 -0.068 1.00 0.00 C ATOM 554 O LYS A 33 3.005 3.424 0.210 1.00 0.00 O ATOM 555 CB LYS A 33 -0.063 3.653 1.584 1.00 0.00 C ATOM 556 CG LYS A 33 0.171 3.514 3.079 1.00 0.00 C ATOM 557 CD LYS A 33 -0.259 2.141 3.560 1.00 0.00 C ATOM 558 CE LYS A 33 -0.340 2.063 5.075 1.00 0.00 C ATOM 559 NZ LYS A 33 -0.215 0.663 5.565 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.701 5.432 -0.046 1.00 0.00 H new ATOM 0 HA LYS A 33 1.642 4.995 1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.056 4.073 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.060 2.660 1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.226 3.670 3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.386 4.284 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.232 1.896 3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.446 1.393 3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.450 2.673 5.513 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.289 2.482 5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.017 0.441 6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.216 0.010 4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.675 0.558 6.093 1.00 0.00 H new ATOM 573 N GLU A 34 1.223 3.145 -1.162 1.00 0.00 N ATOM 574 CA GLU A 34 1.928 2.260 -2.102 1.00 0.00 C ATOM 575 C GLU A 34 2.460 3.002 -3.331 1.00 0.00 C ATOM 576 O GLU A 34 3.526 2.652 -3.847 1.00 0.00 O ATOM 577 CB GLU A 34 1.007 1.119 -2.543 1.00 0.00 C ATOM 578 CG GLU A 34 1.379 -0.230 -1.947 1.00 0.00 C ATOM 579 CD GLU A 34 0.359 -1.306 -2.261 1.00 0.00 C ATOM 580 OE1 GLU A 34 0.488 -1.956 -3.320 1.00 0.00 O1- ATOM 581 OE2 GLU A 34 -0.570 -1.499 -1.449 1.00 0.00 O ATOM 0 H GLU A 34 0.255 3.340 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 34 2.791 1.859 -1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.018 1.361 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.029 1.045 -3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.353 -0.536 -2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.477 -0.131 -0.866 1.00 0.00 H new ATOM 588 N GLY A 35 1.720 4.014 -3.798 1.00 0.00 N ATOM 589 CA GLY A 35 2.139 4.778 -4.969 1.00 0.00 C ATOM 590 C GLY A 35 1.470 4.308 -6.250 1.00 0.00 C ATOM 591 O GLY A 35 2.120 4.230 -7.298 1.00 0.00 O ATOM 0 H GLY A 35 0.838 4.317 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.910 5.832 -4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.221 4.700 -5.080 1.00 0.00 H new ATOM 595 N ILE A 36 0.172 3.995 -6.162 1.00 0.00 N ATOM 596 CA ILE A 36 -0.601 3.528 -7.319 1.00 0.00 C ATOM 597 C ILE A 36 -1.869 4.391 -7.482 1.00 0.00 C ATOM 598 O ILE A 36 -2.551 4.658 -6.489 1.00 0.00 O ATOM 599 CB ILE A 36 -1.006 2.021 -7.191 1.00 0.00 C ATOM 600 CG1 ILE A 36 0.186 1.166 -6.721 1.00 0.00 C ATOM 601 CG2 ILE A 36 -1.539 1.476 -8.524 1.00 0.00 C ATOM 602 CD1 ILE A 36 -0.217 -0.091 -5.974 1.00 0.00 C ATOM 0 H ILE A 36 -0.367 4.057 -5.298 1.00 0.00 H new ATOM 0 HA ILE A 36 0.036 3.626 -8.198 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.799 1.960 -6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.784 0.886 -7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.823 1.771 -6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.812 0.428 -8.405 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.416 2.048 -8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.767 1.565 -9.288 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.677 -0.639 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.789 0.181 -5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.829 -0.719 -6.622 1.00 0.00 H new ATOM 614 N PRO A 37 -2.215 4.836 -8.735 1.00 0.00 N ATOM 615 CA PRO A 37 -3.416 5.672 -8.998 1.00 0.00 C ATOM 616 C PRO A 37 -4.735 5.036 -8.499 1.00 0.00 C ATOM 617 O PRO A 37 -4.931 3.831 -8.674 1.00 0.00 O ATOM 618 CB PRO A 37 -3.444 5.793 -10.534 1.00 0.00 C ATOM 619 CG PRO A 37 -2.540 4.715 -11.027 1.00 0.00 C ATOM 620 CD PRO A 37 -1.470 4.591 -9.993 1.00 0.00 C ATOM 0 HA PRO A 37 -3.349 6.623 -8.470 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.455 5.666 -10.921 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.099 6.775 -10.858 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.079 3.776 -11.149 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.119 4.970 -12.000 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.006 3.605 -10.005 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.674 5.320 -10.143 1.00 0.00 H new ATOM 628 N PRO A 38 -5.665 5.833 -7.869 1.00 0.00 N ATOM 629 CA PRO A 38 -6.963 5.313 -7.365 1.00 0.00 C ATOM 630 C PRO A 38 -7.825 4.648 -8.446 1.00 0.00 C ATOM 631 O PRO A 38 -8.569 3.709 -8.157 1.00 0.00 O ATOM 632 CB PRO A 38 -7.677 6.564 -6.838 1.00 0.00 C ATOM 633 CG PRO A 38 -6.595 7.537 -6.549 1.00 0.00 C ATOM 634 CD PRO A 38 -5.526 7.283 -7.571 1.00 0.00 C ATOM 0 HA PRO A 38 -6.799 4.534 -6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.375 6.959 -7.576 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.254 6.339 -5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.963 8.561 -6.616 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.209 7.402 -5.539 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.672 7.892 -8.463 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.535 7.519 -7.182 1.00 0.00 H new ATOM 642 N GLN A 39 -7.701 5.134 -9.694 1.00 0.00 N ATOM 643 CA GLN A 39 -8.470 4.607 -10.841 1.00 0.00 C ATOM 644 C GLN A 39 -8.216 3.111 -11.076 1.00 0.00 C ATOM 645 O GLN A 39 -9.100 2.397 -11.558 1.00 0.00 O ATOM 646 CB GLN A 39 -8.131 5.391 -12.113 1.00 0.00 C ATOM 647 CG GLN A 39 -8.720 6.795 -12.147 1.00 0.00 C ATOM 648 CD GLN A 39 -8.366 7.544 -13.417 1.00 0.00 C ATOM 649 OE1 GLN A 39 -9.091 7.482 -14.410 1.00 0.00 O ATOM 650 NE2 GLN A 39 -7.246 8.257 -13.390 1.00 0.00 N ATOM 0 H GLN A 39 -7.070 5.898 -9.937 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.526 4.730 -10.600 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.047 5.460 -12.208 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.492 4.835 -12.978 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.804 6.733 -12.056 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.360 7.357 -11.285 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.676 8.279 -12.544 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.956 8.782 -14.215 1.00 0.00 H new ATOM 659 N GLN A 40 -7.006 2.657 -10.731 1.00 0.00 N ATOM 660 CA GLN A 40 -6.622 1.252 -10.889 1.00 0.00 C ATOM 661 C GLN A 40 -6.826 0.460 -9.587 1.00 0.00 C ATOM 662 O GLN A 40 -6.636 -0.762 -9.563 1.00 0.00 O ATOM 663 CB GLN A 40 -5.159 1.149 -11.343 1.00 0.00 C ATOM 664 CG GLN A 40 -4.933 1.579 -12.785 1.00 0.00 C ATOM 665 CD GLN A 40 -3.546 1.228 -13.289 1.00 0.00 C ATOM 666 OE1 GLN A 40 -3.323 0.140 -13.821 1.00 0.00 O ATOM 667 NE2 GLN A 40 -2.605 2.151 -13.127 1.00 0.00 N ATOM 0 H GLN A 40 -6.273 3.247 -10.338 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.268 0.816 -11.651 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.541 1.764 -10.689 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.823 0.119 -11.224 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -5.678 1.104 -13.423 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.083 2.655 -12.867 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.833 3.039 -12.681 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.654 1.972 -13.449 1.00 0.00 H new ATOM 676 N GLN A 41 -7.228 1.164 -8.516 1.00 0.00 N ATOM 677 CA GLN A 41 -7.454 0.540 -7.209 1.00 0.00 C ATOM 678 C GLN A 41 -8.930 0.573 -6.828 1.00 0.00 C ATOM 679 O GLN A 41 -9.593 1.601 -6.987 1.00 0.00 O ATOM 680 CB GLN A 41 -6.644 1.251 -6.120 1.00 0.00 C ATOM 681 CG GLN A 41 -5.142 1.038 -6.218 1.00 0.00 C ATOM 682 CD GLN A 41 -4.423 1.412 -4.938 1.00 0.00 C ATOM 683 OE1 GLN A 41 -4.151 0.556 -4.097 1.00 0.00 O ATOM 684 NE2 GLN A 41 -4.124 2.697 -4.777 1.00 0.00 N ATOM 0 H GLN A 41 -7.403 2.169 -8.534 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.129 -0.498 -7.288 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.852 2.320 -6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.986 0.904 -5.145 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.940 -0.007 -6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.746 1.632 -7.041 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.369 3.372 -5.501 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.650 3.008 -3.929 1.00 0.00 H new ATOM 693 N ARG A 42 -9.431 -0.560 -6.327 1.00 0.00 N ATOM 694 CA ARG A 42 -10.829 -0.670 -5.901 1.00 0.00 C ATOM 695 C ARG A 42 -10.928 -1.341 -4.530 1.00 0.00 C ATOM 696 O ARG A 42 -10.251 -2.339 -4.274 1.00 0.00 O ATOM 697 CB ARG A 42 -11.638 -1.468 -6.927 1.00 0.00 C ATOM 698 CG ARG A 42 -13.077 -0.996 -7.087 1.00 0.00 C ATOM 699 CD ARG A 42 -13.862 -1.924 -8.000 1.00 0.00 C ATOM 700 NE ARG A 42 -15.273 -1.535 -8.104 1.00 0.00 N ATOM 701 CZ ARG A 42 -16.223 -2.272 -8.700 1.00 0.00 C ATOM 702 NH1 ARG A 42 -15.937 -3.446 -9.258 1.00 0.00 N1+ ATOM 703 NH2 ARG A 42 -17.471 -1.824 -8.736 1.00 0.00 N ATOM 0 H ARG A 42 -8.888 -1.415 -6.206 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.240 0.337 -5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.138 -1.409 -7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.642 -2.518 -6.634 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.558 -0.950 -6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.088 0.015 -7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.412 -1.921 -8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.795 -2.944 -7.623 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.551 -0.643 -7.695 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.981 -3.801 -9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.674 -3.991 -9.706 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.703 -0.925 -8.313 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -18.199 -2.378 -9.187 1.00 0.00 H new ATOM 717 N LEU A 43 -11.784 -0.784 -3.661 1.00 0.00 N ATOM 718 CA LEU A 43 -12.007 -1.323 -2.314 1.00 0.00 C ATOM 719 C LEU A 43 -13.148 -2.338 -2.358 1.00 0.00 C ATOM 720 O LEU A 43 -14.292 -2.002 -2.702 1.00 0.00 O ATOM 721 CB LEU A 43 -12.307 -0.178 -1.337 1.00 0.00 C ATOM 722 CG LEU A 43 -11.626 -0.252 0.042 1.00 0.00 C ATOM 723 CD1 LEU A 43 -10.112 -0.069 -0.062 1.00 0.00 C ATOM 724 CD2 LEU A 43 -12.213 0.806 0.960 1.00 0.00 C ATOM 0 H LEU A 43 -12.337 0.047 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.110 -1.832 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.016 0.759 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.385 -0.136 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.812 -1.244 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.669 -0.128 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.693 -0.853 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.892 0.905 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.729 0.751 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.049 1.794 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.283 0.634 1.076 1.00 0.00 H new ATOM 736 N ILE A 44 -12.825 -3.594 -2.038 1.00 0.00 N ATOM 737 CA ILE A 44 -13.802 -4.666 -2.126 1.00 0.00 C ATOM 738 C ILE A 44 -13.872 -5.624 -0.934 1.00 0.00 C ATOM 739 O ILE A 44 -12.901 -5.814 -0.217 1.00 0.00 O ATOM 740 CB ILE A 44 -13.536 -5.421 -3.442 1.00 0.00 C ATOM 741 CG1 ILE A 44 -14.293 -4.661 -4.549 1.00 0.00 C ATOM 742 CG2 ILE A 44 -13.896 -6.907 -3.363 1.00 0.00 C ATOM 743 CD1 ILE A 44 -14.567 -5.423 -5.807 1.00 0.00 C ATOM 0 H ILE A 44 -11.901 -3.885 -1.719 1.00 0.00 H new ATOM 0 HA ILE A 44 -14.787 -4.200 -2.107 1.00 0.00 H new ATOM 0 HB ILE A 44 -12.469 -5.436 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.245 -4.320 -4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.720 -3.770 -4.806 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -13.686 -7.384 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -13.303 -7.384 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -14.955 -7.013 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.103 -4.785 -6.509 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.624 -5.741 -6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.173 -6.299 -5.577 1.00 0.00 H new ATOM 755 N TYR A 45 -15.073 -6.214 -0.744 1.00 0.00 N ATOM 756 CA TYR A 45 -15.305 -7.208 0.308 1.00 0.00 C ATOM 757 C TYR A 45 -15.696 -8.529 -0.350 1.00 0.00 C ATOM 758 O TYR A 45 -16.582 -8.546 -1.209 1.00 0.00 O ATOM 759 CB TYR A 45 -16.418 -6.759 1.269 1.00 0.00 C ATOM 760 CG TYR A 45 -16.222 -7.176 2.720 1.00 0.00 C ATOM 761 CD1 TYR A 45 -16.195 -8.520 3.092 1.00 0.00 C ATOM 762 CD2 TYR A 45 -16.078 -6.220 3.723 1.00 0.00 C ATOM 763 CE1 TYR A 45 -16.030 -8.894 4.412 1.00 0.00 C ATOM 764 CE2 TYR A 45 -15.910 -6.590 5.045 1.00 0.00 C ATOM 765 CZ TYR A 45 -15.887 -7.926 5.384 1.00 0.00 C ATOM 766 OH TYR A 45 -15.721 -8.296 6.698 1.00 0.00 O ATOM 0 H TYR A 45 -15.895 -6.012 -1.313 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.391 -7.325 0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.498 -5.673 1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.367 -7.162 0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.305 -9.282 2.335 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.098 -5.172 3.464 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -16.013 -9.940 4.681 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -15.797 -5.835 5.809 1.00 0.00 H new ATOM 0 HH TYR A 45 -15.634 -7.494 7.255 1.00 0.00 H new ATOM 776 N SER A 46 -15.020 -9.633 0.043 1.00 0.00 N ATOM 777 CA SER A 46 -15.270 -10.999 -0.502 1.00 0.00 C ATOM 778 C SER A 46 -14.696 -11.168 -1.917 1.00 0.00 C ATOM 779 O SER A 46 -13.974 -12.130 -2.195 1.00 0.00 O ATOM 780 CB SER A 46 -16.774 -11.340 -0.529 1.00 0.00 C ATOM 781 OG SER A 46 -17.346 -11.242 0.765 1.00 0.00 O ATOM 0 H SER A 46 -14.283 -9.608 0.748 1.00 0.00 H new ATOM 0 HA SER A 46 -14.760 -11.687 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.291 -10.664 -1.210 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.914 -12.350 -0.916 1.00 0.00 H new ATOM 0 HG SER A 46 -18.300 -11.462 0.718 1.00 0.00 H new ATOM 787 N GLY A 47 -15.035 -10.216 -2.786 1.00 0.00 N ATOM 788 CA GLY A 47 -14.601 -10.227 -4.177 1.00 0.00 C ATOM 789 C GLY A 47 -15.368 -9.200 -4.992 1.00 0.00 C ATOM 790 O GLY A 47 -15.106 -9.007 -6.182 1.00 0.00 O ATOM 0 H GLY A 47 -15.619 -9.416 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.533 -10.016 -4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.751 -11.220 -4.601 1.00 0.00 H new ATOM 794 N LYS A 48 -16.324 -8.545 -4.314 1.00 0.00 N ATOM 795 CA LYS A 48 -17.168 -7.506 -4.900 1.00 0.00 C ATOM 796 C LYS A 48 -17.437 -6.404 -3.889 1.00 0.00 C ATOM 797 O LYS A 48 -17.698 -6.723 -2.723 1.00 0.00 O ATOM 798 CB LYS A 48 -18.514 -8.086 -5.284 1.00 0.00 C ATOM 799 CG LYS A 48 -18.490 -8.994 -6.505 1.00 0.00 C ATOM 800 CD LYS A 48 -19.880 -9.506 -6.844 1.00 0.00 C ATOM 801 CE LYS A 48 -19.861 -10.396 -8.076 1.00 0.00 C ATOM 802 NZ LYS A 48 -21.221 -10.891 -8.426 1.00 0.00 N1+ ATOM 0 H LYS A 48 -16.530 -8.729 -3.332 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.645 -7.111 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.907 -8.649 -4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -19.208 -7.266 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.084 -8.449 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.825 -9.838 -6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.280 -10.064 -5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -20.548 -8.662 -7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.449 -9.840 -8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.200 -11.245 -7.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.164 -11.494 -9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.604 -11.443 -7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -21.846 -10.082 -8.619 1.00 0.00 H new ATOM 816 N GLN A 49 -17.383 -5.106 -4.293 1.00 0.00 N ATOM 817 CA GLN A 49 -17.704 -4.034 -3.333 1.00 0.00 C ATOM 818 C GLN A 49 -17.736 -2.586 -3.850 1.00 0.00 C ATOM 819 O GLN A 49 -18.267 -2.276 -4.919 1.00 0.00 O ATOM 820 CB GLN A 49 -16.832 -4.102 -2.084 1.00 0.00 C ATOM 821 CG GLN A 49 -17.627 -4.200 -0.796 1.00 0.00 C ATOM 822 CD GLN A 49 -16.889 -3.645 0.417 1.00 0.00 C ATOM 823 OE1 GLN A 49 -15.661 -3.702 0.506 1.00 0.00 O ATOM 824 NE2 GLN A 49 -17.644 -3.103 1.365 1.00 0.00 N ATOM 0 H GLN A 49 -17.132 -4.794 -5.231 1.00 0.00 H new ATOM 0 HA GLN A 49 -18.745 -4.264 -3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.170 -4.964 -2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.198 -3.216 -2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.567 -3.662 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.879 -5.244 -0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.658 -3.074 1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.210 -2.715 2.203 1.00 0.00 H new ATOM 833 N MET A 50 -17.130 -1.730 -3.015 1.00 0.00 N ATOM 834 CA MET A 50 -17.093 -0.267 -3.116 1.00 0.00 C ATOM 835 C MET A 50 -16.703 0.319 -4.473 1.00 0.00 C ATOM 836 O MET A 50 -15.973 -0.284 -5.264 1.00 0.00 O ATOM 837 CB MET A 50 -16.148 0.272 -2.027 1.00 0.00 C ATOM 838 CG MET A 50 -15.981 -0.674 -0.835 1.00 0.00 C ATOM 839 SD MET A 50 -15.443 0.160 0.664 1.00 0.00 S ATOM 840 CE MET A 50 -16.959 0.124 1.611 1.00 0.00 C ATOM 0 H MET A 50 -16.620 -2.065 -2.198 1.00 0.00 H new ATOM 0 HA MET A 50 -18.125 0.056 -2.980 1.00 0.00 H new ATOM 0 HB2 MET A 50 -15.170 0.462 -2.469 1.00 0.00 H new ATOM 0 HB3 MET A 50 -16.528 1.229 -1.670 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.929 -1.176 -0.643 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.257 -1.447 -1.092 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.727 -0.037 2.664 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.482 1.073 1.496 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.594 -0.686 1.251 1.00 0.00 H new ATOM 850 N ASN A 51 -17.236 1.529 -4.690 1.00 0.00 N ATOM 851 CA ASN A 51 -17.006 2.333 -5.885 1.00 0.00 C ATOM 852 C ASN A 51 -16.705 3.773 -5.463 1.00 0.00 C ATOM 853 O ASN A 51 -17.034 4.171 -4.341 1.00 0.00 O ATOM 854 CB ASN A 51 -18.238 2.293 -6.796 1.00 0.00 C ATOM 855 CG ASN A 51 -18.331 1.004 -7.586 1.00 0.00 C ATOM 856 OD1 ASN A 51 -17.858 0.921 -8.719 1.00 0.00 O ATOM 857 ND2 ASN A 51 -18.941 -0.013 -6.988 1.00 0.00 N ATOM 0 H ASN A 51 -17.855 1.982 -4.018 1.00 0.00 H new ATOM 0 HA ASN A 51 -16.159 1.930 -6.440 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -19.137 2.411 -6.192 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -18.204 3.137 -7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -19.032 -0.908 -7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.319 0.101 -6.047 1.00 0.00 H new ATOM 864 N ASP A 52 -16.102 4.563 -6.365 1.00 0.00 N ATOM 865 CA ASP A 52 -15.749 5.970 -6.071 1.00 0.00 C ATOM 866 C ASP A 52 -16.986 6.862 -5.848 1.00 0.00 C ATOM 867 O ASP A 52 -16.856 8.014 -5.423 1.00 0.00 O ATOM 868 CB ASP A 52 -14.889 6.547 -7.201 1.00 0.00 C ATOM 869 CG ASP A 52 -13.508 5.919 -7.266 1.00 0.00 C ATOM 870 OD1 ASP A 52 -13.354 4.898 -7.968 1.00 0.00 O ATOM 871 OD2 ASP A 52 -12.583 6.449 -6.615 1.00 0.00 O1- ATOM 0 H ASP A 52 -15.847 4.257 -7.304 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.184 5.965 -5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.398 6.395 -8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.788 7.623 -7.062 1.00 0.00 H new ATOM 876 N GLU A 53 -18.174 6.316 -6.132 1.00 0.00 N ATOM 877 CA GLU A 53 -19.435 7.044 -5.955 1.00 0.00 C ATOM 878 C GLU A 53 -20.153 6.610 -4.668 1.00 0.00 C ATOM 879 O GLU A 53 -21.167 7.204 -4.286 1.00 0.00 O ATOM 880 CB GLU A 53 -20.352 6.824 -7.165 1.00 0.00 C ATOM 881 CG GLU A 53 -19.911 7.571 -8.416 1.00 0.00 C ATOM 882 CD GLU A 53 -20.840 7.337 -9.592 1.00 0.00 C ATOM 883 OE1 GLU A 53 -21.809 8.109 -9.744 1.00 0.00 O1- ATOM 884 OE2 GLU A 53 -20.596 6.383 -10.359 1.00 0.00 O ATOM 0 H GLU A 53 -18.288 5.367 -6.487 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.199 8.105 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.395 5.758 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -21.363 7.137 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -19.865 8.638 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.903 7.257 -8.686 1.00 0.00 H new ATOM 891 N LYS A 54 -19.612 5.578 -4.004 1.00 0.00 N ATOM 892 CA LYS A 54 -20.190 5.045 -2.763 1.00 0.00 C ATOM 893 C LYS A 54 -19.356 5.472 -1.545 1.00 0.00 C ATOM 894 O LYS A 54 -18.353 6.177 -1.692 1.00 0.00 O ATOM 895 CB LYS A 54 -20.274 3.506 -2.844 1.00 0.00 C ATOM 896 CG LYS A 54 -21.205 2.977 -3.936 1.00 0.00 C ATOM 897 CD LYS A 54 -22.656 2.915 -3.470 1.00 0.00 C ATOM 898 CE LYS A 54 -23.578 2.386 -4.560 1.00 0.00 C ATOM 899 NZ LYS A 54 -23.415 0.920 -4.774 1.00 0.00 N1+ ATOM 0 H LYS A 54 -18.768 5.093 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.194 5.451 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -19.273 3.109 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -20.610 3.122 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -21.134 3.618 -4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -20.879 1.982 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -22.728 2.275 -2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -22.984 3.910 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -24.613 2.599 -4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -23.374 2.912 -5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -24.062 0.605 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -22.434 0.717 -5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -23.635 0.414 -3.892 1.00 0.00 H new ATOM 913 N THR A 55 -19.789 5.055 -0.342 1.00 0.00 N ATOM 914 CA THR A 55 -19.080 5.376 0.902 1.00 0.00 C ATOM 915 C THR A 55 -19.004 4.156 1.817 1.00 0.00 C ATOM 916 O THR A 55 -19.797 3.218 1.681 1.00 0.00 O ATOM 917 CB THR A 55 -19.751 6.535 1.677 1.00 0.00 C ATOM 918 OG1 THR A 55 -21.148 6.273 1.851 1.00 0.00 O ATOM 919 CG2 THR A 55 -19.567 7.871 0.966 1.00 0.00 C ATOM 0 H THR A 55 -20.630 4.493 -0.209 1.00 0.00 H new ATOM 0 HA THR A 55 -18.077 5.687 0.610 1.00 0.00 H new ATOM 0 HB THR A 55 -19.266 6.599 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.520 5.917 1.017 1.00 0.00 H new ATOM 0 HG21 THR A 55 -20.052 8.659 1.541 1.00 0.00 H new ATOM 0 HG22 THR A 55 -18.503 8.091 0.874 1.00 0.00 H new ATOM 0 HG23 THR A 55 -20.014 7.819 -0.027 1.00 0.00 H new ATOM 927 N ALA A 56 -18.051 4.188 2.764 1.00 0.00 N ATOM 928 CA ALA A 56 -17.839 3.095 3.727 1.00 0.00 C ATOM 929 C ALA A 56 -19.093 2.796 4.556 1.00 0.00 C ATOM 930 O ALA A 56 -19.349 1.639 4.905 1.00 0.00 O ATOM 931 CB ALA A 56 -16.670 3.431 4.637 1.00 0.00 C ATOM 0 H ALA A 56 -17.408 4.970 2.883 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.613 2.194 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.517 2.619 5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.769 3.563 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.884 4.352 5.179 1.00 0.00 H new ATOM 937 N ALA A 57 -19.878 3.845 4.850 1.00 0.00 N ATOM 938 CA ALA A 57 -21.122 3.708 5.623 1.00 0.00 C ATOM 939 C ALA A 57 -22.159 2.863 4.876 1.00 0.00 C ATOM 940 O ALA A 57 -22.921 2.113 5.496 1.00 0.00 O ATOM 941 CB ALA A 57 -21.693 5.081 5.946 1.00 0.00 C ATOM 0 H ALA A 57 -19.671 4.801 4.562 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.882 3.192 6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.614 4.967 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -20.969 5.647 6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -21.906 5.614 5.019 1.00 0.00 H new ATOM 947 N ASP A 58 -22.147 2.960 3.531 1.00 0.00 N ATOM 948 CA ASP A 58 -23.073 2.211 2.670 1.00 0.00 C ATOM 949 C ASP A 58 -22.832 0.697 2.745 1.00 0.00 C ATOM 950 O ASP A 58 -23.677 -0.095 2.317 1.00 0.00 O ATOM 951 CB ASP A 58 -22.943 2.682 1.221 1.00 0.00 C ATOM 952 CG ASP A 58 -23.760 3.929 0.941 1.00 0.00 C ATOM 953 OD1 ASP A 58 -25.005 3.849 0.997 1.00 0.00 O1- ATOM 954 OD2 ASP A 58 -23.155 4.986 0.667 1.00 0.00 O ATOM 0 H ASP A 58 -21.498 3.557 3.018 1.00 0.00 H new ATOM 0 HA ASP A 58 -24.082 2.406 3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.894 2.881 1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.264 1.883 0.552 1.00 0.00 H new ATOM 959 N TYR A 59 -21.672 0.312 3.294 1.00 0.00 N ATOM 960 CA TYR A 59 -21.307 -1.092 3.447 1.00 0.00 C ATOM 961 C TYR A 59 -21.135 -1.456 4.933 1.00 0.00 C ATOM 962 O TYR A 59 -20.497 -2.459 5.271 1.00 0.00 O ATOM 963 CB TYR A 59 -20.035 -1.391 2.642 1.00 0.00 C ATOM 964 CG TYR A 59 -20.259 -1.401 1.144 1.00 0.00 C ATOM 965 CD1 TYR A 59 -20.149 -0.235 0.397 1.00 0.00 C ATOM 966 CD2 TYR A 59 -20.581 -2.578 0.478 1.00 0.00 C ATOM 967 CE1 TYR A 59 -20.356 -0.241 -0.969 1.00 0.00 C ATOM 968 CE2 TYR A 59 -20.788 -2.592 -0.887 1.00 0.00 C ATOM 969 CZ TYR A 59 -20.674 -1.421 -1.607 1.00 0.00 C ATOM 970 OH TYR A 59 -20.879 -1.430 -2.967 1.00 0.00 O ATOM 0 H TYR A 59 -20.969 0.964 3.641 1.00 0.00 H new ATOM 0 HA TYR A 59 -22.113 -1.712 3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -19.278 -0.645 2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -19.639 -2.359 2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -19.898 0.691 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -20.671 -3.497 1.038 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -20.269 0.675 -1.535 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.038 -3.515 -1.389 1.00 0.00 H new ATOM 0 HH TYR A 59 -21.093 -2.340 -3.259 1.00 0.00 H new ATOM 980 N LYS A 60 -21.739 -0.620 5.817 1.00 0.00 N ATOM 981 CA LYS A 60 -21.734 -0.796 7.298 1.00 0.00 C ATOM 982 C LYS A 60 -20.359 -1.176 7.903 1.00 0.00 C ATOM 983 O LYS A 60 -20.293 -1.904 8.905 1.00 0.00 O ATOM 984 CB LYS A 60 -22.842 -1.801 7.757 1.00 0.00 C ATOM 985 CG LYS A 60 -22.874 -3.164 7.040 1.00 0.00 C ATOM 986 CD LYS A 60 -21.765 -4.100 7.514 1.00 0.00 C ATOM 987 CE LYS A 60 -21.796 -5.424 6.768 1.00 0.00 C ATOM 988 NZ LYS A 60 -20.716 -6.343 7.221 1.00 0.00 N1+ ATOM 0 H LYS A 60 -22.252 0.209 5.518 1.00 0.00 H new ATOM 0 HA LYS A 60 -21.960 0.193 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -22.719 -1.980 8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -23.812 -1.323 7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -23.841 -3.637 7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -22.779 -3.008 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.797 -3.622 7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.873 -4.281 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -22.765 -5.901 6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -21.691 -5.240 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -20.772 -7.234 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -19.790 -5.899 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -20.830 -6.539 8.236 1.00 0.00 H new ATOM 1002 N ILE A 61 -19.267 -0.652 7.327 1.00 0.00 N ATOM 1003 CA ILE A 61 -17.907 -0.945 7.825 1.00 0.00 C ATOM 1004 C ILE A 61 -17.731 -0.398 9.250 1.00 0.00 C ATOM 1005 O ILE A 61 -18.290 0.647 9.594 1.00 0.00 O ATOM 1006 CB ILE A 61 -16.786 -0.346 6.919 1.00 0.00 C ATOM 1007 CG1 ILE A 61 -17.125 -0.420 5.404 1.00 0.00 C ATOM 1008 CG2 ILE A 61 -15.427 -1.008 7.198 1.00 0.00 C ATOM 1009 CD1 ILE A 61 -17.422 -1.810 4.846 1.00 0.00 C ATOM 0 H ILE A 61 -19.294 -0.027 6.521 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.806 -2.030 7.813 1.00 0.00 H new ATOM 0 HB ILE A 61 -16.722 0.710 7.180 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -17.989 0.217 5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -16.290 0.002 4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.668 -0.568 6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -15.152 -0.848 8.240 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -15.496 -2.078 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.644 -1.735 3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -16.554 -2.453 4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -18.280 -2.235 5.367 1.00 0.00 H new ATOM 1021 N LEU A 62 -16.951 -1.119 10.060 1.00 0.00 N ATOM 1022 CA LEU A 62 -16.705 -0.730 11.450 1.00 0.00 C ATOM 1023 C LEU A 62 -15.217 -0.832 11.800 1.00 0.00 C ATOM 1024 O LEU A 62 -14.447 -1.499 11.097 1.00 0.00 O ATOM 1025 CB LEU A 62 -17.536 -1.614 12.397 1.00 0.00 C ATOM 1026 CG LEU A 62 -17.928 -0.970 13.735 1.00 0.00 C ATOM 1027 CD1 LEU A 62 -19.205 -0.150 13.592 1.00 0.00 C ATOM 1028 CD2 LEU A 62 -18.096 -2.035 14.807 1.00 0.00 C ATOM 0 H LEU A 62 -16.478 -1.977 9.776 1.00 0.00 H new ATOM 0 HA LEU A 62 -17.007 0.310 11.571 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -18.447 -1.914 11.879 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.972 -2.524 12.604 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.126 -0.296 14.036 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -19.461 0.295 14.553 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -19.050 0.639 12.856 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -20.018 -0.797 13.264 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -18.374 -1.562 15.749 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.877 -2.733 14.507 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.157 -2.574 14.935 1.00 0.00 H new ATOM 1040 N GLY A 63 -14.828 -0.169 12.907 1.00 0.00 N ATOM 1041 CA GLY A 63 -13.440 -0.178 13.370 1.00 0.00 C ATOM 1042 C GLY A 63 -12.951 -1.571 13.727 1.00 0.00 C ATOM 1043 O GLY A 63 -13.117 -2.025 14.862 1.00 0.00 O ATOM 0 H GLY A 63 -15.461 0.377 13.492 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.799 0.240 12.593 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.348 0.470 14.242 1.00 0.00 H new ATOM 1047 N GLY A 64 -12.346 -2.233 12.740 1.00 0.00 N ATOM 1048 CA GLY A 64 -11.844 -3.586 12.920 1.00 0.00 C ATOM 1049 C GLY A 64 -12.285 -4.524 11.807 1.00 0.00 C ATOM 1050 O GLY A 64 -12.057 -5.734 11.889 1.00 0.00 O ATOM 0 H GLY A 64 -12.194 -1.849 11.807 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.755 -3.563 12.962 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.192 -3.975 13.877 1.00 0.00 H new ATOM 1054 N SER A 65 -12.921 -3.959 10.761 1.00 0.00 N ATOM 1055 CA SER A 65 -13.397 -4.737 9.610 1.00 0.00 C ATOM 1056 C SER A 65 -12.247 -5.101 8.669 1.00 0.00 C ATOM 1057 O SER A 65 -11.204 -4.435 8.663 1.00 0.00 O ATOM 1058 CB SER A 65 -14.467 -3.946 8.852 1.00 0.00 C ATOM 1059 OG SER A 65 -15.581 -3.667 9.682 1.00 0.00 O ATOM 0 H SER A 65 -13.116 -2.960 10.694 1.00 0.00 H new ATOM 0 HA SER A 65 -13.830 -5.665 9.984 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.041 -3.012 8.484 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.793 -4.513 7.980 1.00 0.00 H new ATOM 0 HG SER A 65 -16.408 -3.787 9.170 1.00 0.00 H new ATOM 1065 N VAL A 66 -12.453 -6.157 7.878 1.00 0.00 N ATOM 1066 CA VAL A 66 -11.438 -6.634 6.938 1.00 0.00 C ATOM 1067 C VAL A 66 -11.871 -6.312 5.507 1.00 0.00 C ATOM 1068 O VAL A 66 -12.919 -6.778 5.048 1.00 0.00 O ATOM 1069 CB VAL A 66 -11.178 -8.167 7.088 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -9.957 -8.613 6.284 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -10.998 -8.559 8.554 1.00 0.00 C ATOM 0 H VAL A 66 -13.317 -6.699 7.871 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.504 -6.121 7.166 1.00 0.00 H new ATOM 0 HB VAL A 66 -12.058 -8.675 6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.808 -9.685 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.116 -8.393 5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.074 -8.079 6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.819 -9.632 8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.148 -8.021 8.973 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.899 -8.304 9.112 1.00 0.00 H new ATOM 1081 N LEU A 67 -11.052 -5.517 4.818 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.337 -5.116 3.443 1.00 0.00 C ATOM 1083 C LEU A 67 -10.303 -5.682 2.472 1.00 0.00 C ATOM 1084 O LEU A 67 -9.191 -6.036 2.868 1.00 0.00 O ATOM 1085 CB LEU A 67 -11.374 -3.579 3.320 1.00 0.00 C ATOM 1086 CG LEU A 67 -12.414 -2.839 4.183 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -12.140 -1.346 4.163 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.836 -3.111 3.701 1.00 0.00 C ATOM 0 H LEU A 67 -10.183 -5.137 5.193 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.315 -5.521 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.386 -3.194 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.557 -3.326 2.276 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.326 -3.212 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.880 -0.832 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.143 -1.154 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.199 -0.979 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.543 -2.573 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -13.941 -2.774 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.041 -4.180 3.756 1.00 0.00 H new ATOM 1100 N HIS A 68 -10.700 -5.766 1.201 1.00 0.00 N ATOM 1101 CA HIS A 68 -9.850 -6.255 0.122 1.00 0.00 C ATOM 1102 C HIS A 68 -9.698 -5.162 -0.930 1.00 0.00 C ATOM 1103 O HIS A 68 -10.425 -4.165 -0.895 1.00 0.00 O ATOM 1104 CB HIS A 68 -10.461 -7.512 -0.513 1.00 0.00 C ATOM 1105 CG HIS A 68 -10.189 -8.772 0.250 1.00 0.00 C ATOM 1106 ND1 HIS A 68 -9.259 -9.709 -0.152 1.00 0.00 N ATOM 1107 CD2 HIS A 68 -10.735 -9.253 1.393 1.00 0.00 C ATOM 1108 CE1 HIS A 68 -9.247 -10.712 0.709 1.00 0.00 C ATOM 1109 NE2 HIS A 68 -10.132 -10.458 1.654 1.00 0.00 N ATOM 0 H HIS A 68 -11.633 -5.492 0.892 1.00 0.00 H new ATOM 0 HA HIS A 68 -8.871 -6.514 0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -11.539 -7.376 -0.598 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -10.072 -7.621 -1.525 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -11.501 -8.777 1.987 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.620 -11.589 0.649 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -10.336 -11.061 2.451 1.00 0.00 H new ATOM 1118 N LEU A 69 -8.747 -5.333 -1.849 1.00 0.00 N ATOM 1119 CA LEU A 69 -8.524 -4.349 -2.907 1.00 0.00 C ATOM 1120 C LEU A 69 -8.184 -5.034 -4.227 1.00 0.00 C ATOM 1121 O LEU A 69 -7.166 -5.730 -4.323 1.00 0.00 O ATOM 1122 CB LEU A 69 -7.396 -3.377 -2.500 1.00 0.00 C ATOM 1123 CG LEU A 69 -7.313 -2.066 -3.298 1.00 0.00 C ATOM 1124 CD1 LEU A 69 -6.891 -0.919 -2.393 1.00 0.00 C ATOM 1125 CD2 LEU A 69 -6.339 -2.208 -4.459 1.00 0.00 C ATOM 0 H LEU A 69 -8.123 -6.139 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.445 -3.783 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.520 -3.130 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.443 -3.898 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.302 -1.846 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.837 0.002 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.620 -0.800 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.913 -1.135 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.293 -1.270 -5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.348 -2.451 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.677 -3.004 -5.122 1.00 0.00 H new ATOM 1137 N VAL A 70 -9.043 -4.846 -5.243 1.00 0.00 N ATOM 1138 CA VAL A 70 -8.771 -5.420 -6.565 1.00 0.00 C ATOM 1139 C VAL A 70 -8.117 -4.374 -7.471 1.00 0.00 C ATOM 1140 O VAL A 70 -8.537 -3.210 -7.499 1.00 0.00 O ATOM 1141 CB VAL A 70 -10.024 -6.027 -7.261 1.00 0.00 C ATOM 1142 CG1 VAL A 70 -10.421 -7.331 -6.590 1.00 0.00 C ATOM 1143 CG2 VAL A 70 -11.207 -5.061 -7.296 1.00 0.00 C ATOM 0 H VAL A 70 -9.911 -4.314 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.087 -6.252 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.748 -6.223 -8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.299 -7.744 -7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.597 -8.041 -6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.652 -7.145 -5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.052 -5.538 -7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.489 -4.794 -6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.926 -4.161 -7.843 1.00 0.00 H new ATOM 1153 N LEU A 71 -7.079 -4.811 -8.184 1.00 0.00 N ATOM 1154 CA LEU A 71 -6.317 -3.944 -9.080 1.00 0.00 C ATOM 1155 C LEU A 71 -6.685 -4.200 -10.537 1.00 0.00 C ATOM 1156 O LEU A 71 -6.929 -5.344 -10.931 1.00 0.00 O ATOM 1157 CB LEU A 71 -4.803 -4.180 -8.864 1.00 0.00 C ATOM 1158 CG LEU A 71 -3.852 -2.956 -8.959 1.00 0.00 C ATOM 1159 CD1 LEU A 71 -3.785 -2.397 -10.378 1.00 0.00 C ATOM 1160 CD2 LEU A 71 -4.238 -1.858 -7.968 1.00 0.00 C ATOM 0 H LEU A 71 -6.744 -5.774 -8.156 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.562 -2.907 -8.850 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.672 -4.628 -7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.472 -4.917 -9.596 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.858 -3.315 -8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.109 -1.542 -10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.418 -3.168 -11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.780 -2.081 -10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.548 -1.020 -8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.253 -1.519 -8.177 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.189 -2.251 -6.952 1.00 0.00 H new ATOM 1172 N ALA A 72 -6.721 -3.121 -11.327 1.00 0.00 N ATOM 1173 CA ALA A 72 -7.051 -3.203 -12.750 1.00 0.00 C ATOM 1174 C ALA A 72 -5.789 -3.337 -13.604 1.00 0.00 C ATOM 1175 O ALA A 72 -4.896 -2.485 -13.545 1.00 0.00 O ATOM 1176 CB ALA A 72 -7.856 -1.984 -13.175 1.00 0.00 C ATOM 0 H ALA A 72 -6.524 -2.175 -11.000 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.656 -4.096 -12.907 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.095 -2.058 -14.236 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.779 -1.938 -12.597 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.271 -1.082 -12.997 1.00 0.00 H new ATOM 1275 N ARG B 80 18.463 2.997 -9.413 1.00 0.00 N ATOM 1276 CA ARG B 80 18.817 2.468 -8.097 1.00 0.00 C ATOM 1277 C ARG B 80 18.347 3.399 -6.983 1.00 0.00 C ATOM 1278 O ARG B 80 18.713 4.579 -6.948 1.00 0.00 O ATOM 1279 CB ARG B 80 20.336 2.251 -8.004 1.00 0.00 C ATOM 1280 CG ARG B 80 20.801 0.848 -8.395 1.00 0.00 C ATOM 1281 CD ARG B 80 20.720 0.607 -9.903 1.00 0.00 C ATOM 1282 NE ARG B 80 21.074 -0.772 -10.272 1.00 0.00 N ATOM 1283 CZ ARG B 80 20.226 -1.817 -10.254 1.00 0.00 C ATOM 1284 NH1 ARG B 80 18.957 -1.666 -9.875 1.00 0.00 N1+ ATOM 1285 NH2 ARG B 80 20.655 -3.016 -10.620 1.00 0.00 N ATOM 0 HA ARG B 80 18.312 1.510 -7.971 1.00 0.00 H new ATOM 0 HB2 ARG B 80 20.834 2.977 -8.646 1.00 0.00 H new ATOM 0 HB3 ARG B 80 20.658 2.455 -6.983 1.00 0.00 H new ATOM 0 HG2 ARG B 80 21.828 0.702 -8.061 1.00 0.00 H new ATOM 0 HG3 ARG B 80 20.190 0.108 -7.878 1.00 0.00 H new ATOM 0 HD2 ARG B 80 19.709 0.824 -10.249 1.00 0.00 H new ATOM 0 HD3 ARG B 80 21.388 1.300 -10.415 1.00 0.00 H new ATOM 0 HE ARG B 80 22.035 -0.950 -10.564 1.00 0.00 H new ATOM 0 HH11 ARG B 80 18.615 -0.747 -9.593 1.00 0.00 H new ATOM 0 HH12 ARG B 80 18.328 -2.469 -9.867 1.00 0.00 H new ATOM 0 HH21 ARG B 80 21.624 -3.143 -10.913 1.00 0.00 H new ATOM 0 HH22 ARG B 80 20.017 -3.812 -10.608 1.00 0.00 H new ATOM 1299 N LYS B 81 17.526 2.852 -6.083 1.00 0.00 N ATOM 1300 CA LYS B 81 16.989 3.607 -4.945 1.00 0.00 C ATOM 1301 C LYS B 81 17.685 3.187 -3.638 1.00 0.00 C ATOM 1302 O LYS B 81 17.198 3.473 -2.540 1.00 0.00 O ATOM 1303 CB LYS B 81 15.465 3.395 -4.837 1.00 0.00 C ATOM 1304 CG LYS B 81 14.663 3.933 -6.023 1.00 0.00 C ATOM 1305 CD LYS B 81 14.270 5.393 -5.834 1.00 0.00 C ATOM 1306 CE LYS B 81 13.426 5.893 -6.998 1.00 0.00 C ATOM 1307 NZ LYS B 81 12.911 7.271 -6.764 1.00 0.00 N1+ ATOM 0 H LYS B 81 17.216 1.881 -6.120 1.00 0.00 H new ATOM 0 HA LYS B 81 17.184 4.667 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS B 81 15.266 2.328 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS B 81 15.108 3.875 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS B 81 15.252 3.832 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS B 81 13.764 3.330 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS B 81 13.713 5.505 -4.904 1.00 0.00 H new ATOM 0 HD3 LYS B 81 15.168 6.005 -5.743 1.00 0.00 H new ATOM 0 HE2 LYS B 81 14.022 5.879 -7.910 1.00 0.00 H new ATOM 0 HE3 LYS B 81 12.587 5.215 -7.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 12.342 7.572 -7.581 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 12.320 7.280 -5.908 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 13.711 7.924 -6.640 1.00 0.00 H new ATOM 1321 N THR B 82 18.853 2.532 -3.783 1.00 0.00 N ATOM 1322 CA THR B 82 19.667 2.035 -2.651 1.00 0.00 C ATOM 1323 C THR B 82 19.963 3.110 -1.602 1.00 0.00 C ATOM 1324 O THR B 82 19.913 2.845 -0.397 1.00 0.00 O ATOM 1325 CB THR B 82 21.022 1.475 -3.137 1.00 0.00 C ATOM 1326 OG1 THR B 82 21.645 2.401 -4.037 1.00 0.00 O ATOM 1327 CG2 THR B 82 20.855 0.132 -3.825 1.00 0.00 C ATOM 0 H THR B 82 19.263 2.330 -4.695 1.00 0.00 H new ATOM 0 HA THR B 82 19.063 1.251 -2.194 1.00 0.00 H new ATOM 0 HB THR B 82 21.654 1.333 -2.260 1.00 0.00 H new ATOM 0 HG1 THR B 82 22.504 2.037 -4.338 1.00 0.00 H new ATOM 0 HG21 THR B 82 21.828 -0.232 -4.154 1.00 0.00 H new ATOM 0 HG22 THR B 82 20.417 -0.582 -3.128 1.00 0.00 H new ATOM 0 HG23 THR B 82 20.199 0.245 -4.688 1.00 0.00 H new ATOM 1335 N ARG B 83 20.271 4.319 -2.082 1.00 0.00 N ATOM 1336 CA ARG B 83 20.619 5.451 -1.220 1.00 0.00 C ATOM 1337 C ARG B 83 19.445 5.969 -0.382 1.00 0.00 C ATOM 1338 O ARG B 83 19.626 6.249 0.807 1.00 0.00 O ATOM 1339 CB ARG B 83 21.194 6.596 -2.061 1.00 0.00 C ATOM 1340 CG ARG B 83 22.624 6.356 -2.527 1.00 0.00 C ATOM 1341 CD ARG B 83 23.177 7.559 -3.273 1.00 0.00 C ATOM 1342 NE ARG B 83 24.572 7.357 -3.680 1.00 0.00 N ATOM 1343 CZ ARG B 83 25.426 8.343 -3.996 1.00 0.00 C ATOM 1344 NH1 ARG B 83 25.048 9.620 -3.959 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 83 26.667 8.043 -4.352 1.00 0.00 N ATOM 0 H ARG B 83 20.286 4.539 -3.078 1.00 0.00 H new ATOM 0 HA ARG B 83 21.366 5.080 -0.518 1.00 0.00 H new ATOM 0 HB2 ARG B 83 20.558 6.749 -2.933 1.00 0.00 H new ATOM 0 HB3 ARG B 83 21.161 7.516 -1.477 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.256 6.138 -1.666 1.00 0.00 H new ATOM 0 HG3 ARG B 83 22.654 5.480 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG B 83 22.566 7.752 -4.155 1.00 0.00 H new ATOM 0 HD3 ARG B 83 23.108 8.443 -2.638 1.00 0.00 H new ATOM 0 HE ARG B 83 24.918 6.398 -3.726 1.00 0.00 H new ATOM 0 HH11 ARG B 83 24.095 9.862 -3.687 1.00 0.00 H new ATOM 0 HH12 ARG B 83 25.711 10.355 -4.203 1.00 0.00 H new ATOM 0 HH21 ARG B 83 26.967 7.069 -4.384 1.00 0.00 H new ATOM 0 HH22 ARG B 83 27.322 8.787 -4.594 1.00 0.00 H new ATOM 1359 N GLU B 84 18.237 6.065 -0.977 1.00 0.00 N ATOM 1360 CA GLU B 84 17.093 6.594 -0.276 1.00 0.00 C ATOM 1361 C GLU B 84 16.586 5.564 0.700 1.00 0.00 C ATOM 1362 O GLU B 84 16.468 5.829 1.866 1.00 0.00 O ATOM 1363 CB GLU B 84 15.991 7.011 -1.262 1.00 0.00 C ATOM 1364 CG GLU B 84 16.320 8.266 -2.058 1.00 0.00 C ATOM 1365 CD GLU B 84 15.220 8.646 -3.029 1.00 0.00 C ATOM 1366 OE1 GLU B 84 15.127 8.012 -4.100 1.00 0.00 O ATOM 1367 OE2 GLU B 84 14.450 9.581 -2.718 1.00 0.00 O1- ATOM 0 H GLU B 84 18.049 5.779 -1.938 1.00 0.00 H new ATOM 0 HA GLU B 84 17.391 7.486 0.274 1.00 0.00 H new ATOM 0 HB2 GLU B 84 15.808 6.190 -1.955 1.00 0.00 H new ATOM 0 HB3 GLU B 84 15.066 7.175 -0.710 1.00 0.00 H new ATOM 0 HG2 GLU B 84 16.494 9.093 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU B 84 17.248 8.110 -2.609 1.00 0.00 H new ATOM 1374 N THR B 85 16.399 4.354 0.193 1.00 0.00 N ATOM 1375 CA THR B 85 15.852 3.223 0.944 1.00 0.00 C ATOM 1376 C THR B 85 16.538 2.921 2.287 1.00 0.00 C ATOM 1377 O THR B 85 15.881 2.939 3.331 1.00 0.00 O ATOM 1378 CB THR B 85 15.844 1.988 0.046 1.00 0.00 C ATOM 1379 OG1 THR B 85 17.155 1.748 -0.484 1.00 0.00 O ATOM 1380 CG2 THR B 85 14.849 2.213 -1.089 1.00 0.00 C ATOM 0 H THR B 85 16.627 4.122 -0.774 1.00 0.00 H new ATOM 0 HA THR B 85 14.840 3.512 1.227 1.00 0.00 H new ATOM 0 HB THR B 85 15.548 1.115 0.627 1.00 0.00 H new ATOM 0 HG1 THR B 85 17.253 2.217 -1.339 1.00 0.00 H new ATOM 0 HG21 THR B 85 14.834 1.338 -1.738 1.00 0.00 H new ATOM 0 HG22 THR B 85 13.854 2.375 -0.674 1.00 0.00 H new ATOM 0 HG23 THR B 85 15.148 3.088 -1.667 1.00 0.00 H new ATOM 1388 N GLU B 86 17.840 2.668 2.293 1.00 0.00 N ATOM 1389 CA GLU B 86 18.526 2.367 3.552 1.00 0.00 C ATOM 1390 C GLU B 86 18.653 3.629 4.439 1.00 0.00 C ATOM 1391 O GLU B 86 18.441 3.556 5.656 1.00 0.00 O ATOM 1392 CB GLU B 86 19.861 1.651 3.272 1.00 0.00 C ATOM 1393 CG GLU B 86 20.692 1.293 4.508 1.00 0.00 C ATOM 1394 CD GLU B 86 21.653 2.395 4.910 1.00 0.00 C ATOM 1395 OE1 GLU B 86 22.761 2.456 4.335 1.00 0.00 O ATOM 1396 OE2 GLU B 86 21.299 3.196 5.800 1.00 0.00 O1- ATOM 0 H GLU B 86 18.435 2.663 1.464 1.00 0.00 H new ATOM 0 HA GLU B 86 17.925 1.671 4.138 1.00 0.00 H new ATOM 0 HB2 GLU B 86 19.652 0.735 2.719 1.00 0.00 H new ATOM 0 HB3 GLU B 86 20.464 2.286 2.622 1.00 0.00 H new ATOM 0 HG2 GLU B 86 20.022 1.080 5.341 1.00 0.00 H new ATOM 0 HG3 GLU B 86 21.255 0.381 4.310 1.00 0.00 H new ATOM 1403 N ARG B 87 18.968 4.778 3.820 1.00 0.00 N ATOM 1404 CA ARG B 87 19.093 6.062 4.540 1.00 0.00 C ATOM 1405 C ARG B 87 17.721 6.607 4.986 1.00 0.00 C ATOM 1406 O ARG B 87 17.592 7.165 6.076 1.00 0.00 O ATOM 1407 CB ARG B 87 19.808 7.111 3.680 1.00 0.00 C ATOM 1408 CG ARG B 87 21.290 6.824 3.454 1.00 0.00 C ATOM 1409 CD ARG B 87 22.037 8.050 2.942 1.00 0.00 C ATOM 1410 NE ARG B 87 21.644 8.421 1.574 1.00 0.00 N ATOM 1411 CZ ARG B 87 21.959 9.580 0.978 1.00 0.00 C ATOM 1412 NH1 ARG B 87 22.675 10.508 1.610 1.00 0.00 N1+ ATOM 1413 NH2 ARG B 87 21.547 9.812 -0.261 1.00 0.00 N ATOM 0 H ARG B 87 19.142 4.847 2.817 1.00 0.00 H new ATOM 0 HA ARG B 87 19.689 5.864 5.431 1.00 0.00 H new ATOM 0 HB2 ARG B 87 19.309 7.174 2.713 1.00 0.00 H new ATOM 0 HB3 ARG B 87 19.706 8.086 4.156 1.00 0.00 H new ATOM 0 HG2 ARG B 87 21.741 6.488 4.388 1.00 0.00 H new ATOM 0 HG3 ARG B 87 21.396 6.009 2.738 1.00 0.00 H new ATOM 0 HD2 ARG B 87 21.850 8.890 3.610 1.00 0.00 H new ATOM 0 HD3 ARG B 87 23.109 7.855 2.968 1.00 0.00 H new ATOM 0 HE ARG B 87 21.093 7.749 1.041 1.00 0.00 H new ATOM 0 HH11 ARG B 87 22.994 10.343 2.565 1.00 0.00 H new ATOM 0 HH12 ARG B 87 22.904 11.383 1.139 1.00 0.00 H new ATOM 0 HH21 ARG B 87 20.994 9.111 -0.754 1.00 0.00 H new ATOM 0 HH22 ARG B 87 21.783 10.691 -0.721 1.00 0.00 H new ATOM 1427 N LEU B 88 16.718 6.437 4.108 1.00 0.00 N ATOM 1428 CA LEU B 88 15.328 6.913 4.301 1.00 0.00 C ATOM 1429 C LEU B 88 14.748 6.497 5.643 1.00 0.00 C ATOM 1430 O LEU B 88 14.339 7.341 6.447 1.00 0.00 O ATOM 1431 CB LEU B 88 14.478 6.445 3.068 1.00 0.00 C ATOM 1432 CG LEU B 88 13.391 5.306 3.132 1.00 0.00 C ATOM 1433 CD1 LEU B 88 12.983 4.974 1.729 1.00 0.00 C ATOM 1434 CD2 LEU B 88 13.772 3.973 3.798 1.00 0.00 C ATOM 0 H LEU B 88 16.850 5.953 3.220 1.00 0.00 H new ATOM 0 HA LEU B 88 15.310 8.002 4.341 1.00 0.00 H new ATOM 0 HB2 LEU B 88 13.968 7.333 2.695 1.00 0.00 H new ATOM 0 HB3 LEU B 88 15.192 6.142 2.302 1.00 0.00 H new ATOM 0 HG LEU B 88 12.614 5.733 3.767 1.00 0.00 H new ATOM 0 HD11 LEU B 88 12.230 4.186 1.746 1.00 0.00 H new ATOM 0 HD12 LEU B 88 12.569 5.862 1.251 1.00 0.00 H new ATOM 0 HD13 LEU B 88 13.853 4.632 1.168 1.00 0.00 H new ATOM 0 HD21 LEU B 88 12.921 3.293 3.764 1.00 0.00 H new ATOM 0 HD22 LEU B 88 14.613 3.528 3.267 1.00 0.00 H new ATOM 0 HD23 LEU B 88 14.052 4.152 4.836 1.00 0.00 H new ATOM 1446 N ARG B 89 14.722 5.201 5.857 1.00 0.00 N ATOM 1447 CA ARG B 89 14.234 4.626 7.117 1.00 0.00 C ATOM 1448 C ARG B 89 15.132 5.043 8.299 1.00 0.00 C ATOM 1449 O ARG B 89 14.626 5.358 9.380 1.00 0.00 O ATOM 1450 CB ARG B 89 14.101 3.093 6.993 1.00 0.00 C ATOM 1451 CG ARG B 89 14.042 2.316 8.323 1.00 0.00 C ATOM 1452 CD ARG B 89 12.810 2.669 9.161 1.00 0.00 C ATOM 1453 NE ARG B 89 12.490 1.622 10.136 1.00 0.00 N ATOM 1454 CZ ARG B 89 11.338 1.542 10.820 1.00 0.00 C ATOM 1455 NH1 ARG B 89 10.373 2.443 10.651 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 89 11.156 0.548 11.679 1.00 0.00 N ATOM 0 H ARG B 89 15.034 4.509 5.175 1.00 0.00 H new ATOM 0 HA ARG B 89 13.240 5.023 7.323 1.00 0.00 H new ATOM 0 HB2 ARG B 89 13.199 2.870 6.423 1.00 0.00 H new ATOM 0 HB3 ARG B 89 14.945 2.720 6.413 1.00 0.00 H new ATOM 0 HG2 ARG B 89 14.039 1.246 8.114 1.00 0.00 H new ATOM 0 HG3 ARG B 89 14.942 2.526 8.901 1.00 0.00 H new ATOM 0 HD2 ARG B 89 12.984 3.610 9.683 1.00 0.00 H new ATOM 0 HD3 ARG B 89 11.956 2.824 8.502 1.00 0.00 H new ATOM 0 HE ARG B 89 13.193 0.903 10.307 1.00 0.00 H new ATOM 0 HH11 ARG B 89 10.502 3.211 9.992 1.00 0.00 H new ATOM 0 HH12 ARG B 89 9.504 2.365 11.180 1.00 0.00 H new ATOM 0 HH21 ARG B 89 11.889 -0.148 11.816 1.00 0.00 H new ATOM 0 HH22 ARG B 89 10.283 0.480 12.203 1.00 0.00 H new ATOM 1470 N ARG B 90 16.459 5.039 8.079 1.00 0.00 N ATOM 1471 CA ARG B 90 17.434 5.439 9.110 1.00 0.00 C ATOM 1472 C ARG B 90 17.194 6.894 9.563 1.00 0.00 C ATOM 1473 O ARG B 90 17.275 7.202 10.755 1.00 0.00 O ATOM 1474 CB ARG B 90 18.866 5.275 8.573 1.00 0.00 C ATOM 1475 CG ARG B 90 19.915 4.989 9.647 1.00 0.00 C ATOM 1476 CD ARG B 90 20.026 3.501 9.953 1.00 0.00 C ATOM 1477 NE ARG B 90 21.037 3.225 10.978 1.00 0.00 N ATOM 1478 CZ ARG B 90 21.555 2.015 11.234 1.00 0.00 C ATOM 1479 NH1 ARG B 90 21.169 0.940 10.547 1.00 0.00 N1+ ATOM 1480 NH2 ARG B 90 22.467 1.881 12.186 1.00 0.00 N ATOM 0 H ARG B 90 16.882 4.762 7.193 1.00 0.00 H new ATOM 0 HA ARG B 90 17.303 4.790 9.976 1.00 0.00 H new ATOM 0 HB2 ARG B 90 18.877 4.463 7.846 1.00 0.00 H new ATOM 0 HB3 ARG B 90 19.147 6.183 8.040 1.00 0.00 H new ATOM 0 HG2 ARG B 90 20.884 5.365 9.317 1.00 0.00 H new ATOM 0 HG3 ARG B 90 19.657 5.529 10.558 1.00 0.00 H new ATOM 0 HD2 ARG B 90 19.059 3.127 10.288 1.00 0.00 H new ATOM 0 HD3 ARG B 90 20.278 2.961 9.040 1.00 0.00 H new ATOM 0 HE ARG B 90 21.371 4.010 11.537 1.00 0.00 H new ATOM 0 HH11 ARG B 90 20.468 1.029 9.812 1.00 0.00 H new ATOM 0 HH12 ARG B 90 21.575 0.028 10.757 1.00 0.00 H new ATOM 0 HH21 ARG B 90 22.771 2.696 12.719 1.00 0.00 H new ATOM 0 HH22 ARG B 90 22.865 0.963 12.386 1.00 0.00 H new ATOM 1549 N GLU B 94 11.228 8.911 5.071 1.00 0.00 N ATOM 1550 CA GLU B 94 10.946 7.523 4.672 1.00 0.00 C ATOM 1551 C GLU B 94 10.447 7.473 3.205 1.00 0.00 C ATOM 1552 O GLU B 94 9.233 7.442 2.961 1.00 0.00 O ATOM 1553 CB GLU B 94 9.890 6.975 5.644 1.00 0.00 C ATOM 1554 CG GLU B 94 10.476 6.374 6.911 1.00 0.00 C ATOM 1555 CD GLU B 94 9.410 5.884 7.872 1.00 0.00 C ATOM 1556 OE1 GLU B 94 8.938 6.693 8.698 1.00 0.00 O1- ATOM 1557 OE2 GLU B 94 9.046 4.692 7.797 1.00 0.00 O ATOM 0 HA GLU B 94 11.847 6.912 4.719 1.00 0.00 H new ATOM 0 HB2 GLU B 94 9.208 7.780 5.917 1.00 0.00 H new ATOM 0 HB3 GLU B 94 9.298 6.216 5.133 1.00 0.00 H new ATOM 0 HG2 GLU B 94 11.130 5.543 6.646 1.00 0.00 H new ATOM 0 HG3 GLU B 94 11.094 7.120 7.410 1.00 0.00 H new ATOM 1564 N VAL B 95 11.383 7.484 2.221 1.00 0.00 N ATOM 1565 CA VAL B 95 10.963 7.571 0.798 1.00 0.00 C ATOM 1566 C VAL B 95 10.412 6.259 0.097 1.00 0.00 C ATOM 1567 O VAL B 95 9.193 6.050 0.115 1.00 0.00 O ATOM 1568 CB VAL B 95 12.214 8.141 0.015 1.00 0.00 C ATOM 1569 CG1 VAL B 95 12.060 8.062 -1.507 1.00 0.00 C ATOM 1570 CG2 VAL B 95 12.467 9.591 0.414 1.00 0.00 C ATOM 0 H VAL B 95 12.390 7.436 2.375 1.00 0.00 H new ATOM 0 HA VAL B 95 10.080 8.210 0.773 1.00 0.00 H new ATOM 0 HB VAL B 95 13.060 7.512 0.292 1.00 0.00 H new ATOM 0 HG11 VAL B 95 12.951 8.469 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL B 95 11.931 7.022 -1.806 1.00 0.00 H new ATOM 0 HG13 VAL B 95 11.188 8.639 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL B 95 13.330 9.973 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL B 95 11.591 10.193 0.173 1.00 0.00 H new ATOM 0 HG23 VAL B 95 12.661 9.645 1.485 1.00 0.00 H new ATOM 1580 N PHE B 96 11.290 5.324 -0.390 1.00 0.00 N ATOM 1581 CA PHE B 96 10.841 4.078 -1.051 1.00 0.00 C ATOM 1582 C PHE B 96 10.539 2.992 -0.056 1.00 0.00 C ATOM 1583 O PHE B 96 9.419 2.521 0.076 1.00 0.00 O ATOM 1584 CB PHE B 96 11.831 3.583 -2.114 1.00 0.00 C ATOM 1585 CG PHE B 96 11.265 3.610 -3.513 1.00 0.00 C ATOM 1586 CD1 PHE B 96 11.135 4.804 -4.211 1.00 0.00 C ATOM 1587 CD2 PHE B 96 10.853 2.436 -4.126 1.00 0.00 C ATOM 1588 CE1 PHE B 96 10.606 4.822 -5.487 1.00 0.00 C ATOM 1589 CE2 PHE B 96 10.326 2.450 -5.402 1.00 0.00 C ATOM 1590 CZ PHE B 96 10.202 3.644 -6.084 1.00 0.00 C ATOM 0 H PHE B 96 12.304 5.420 -0.332 1.00 0.00 H new ATOM 0 HA PHE B 96 9.914 4.330 -1.566 1.00 0.00 H new ATOM 0 HB2 PHE B 96 12.729 4.200 -2.080 1.00 0.00 H new ATOM 0 HB3 PHE B 96 12.135 2.565 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE B 96 11.451 5.729 -3.751 1.00 0.00 H new ATOM 0 HD2 PHE B 96 10.946 1.498 -3.598 1.00 0.00 H new ATOM 0 HE1 PHE B 96 10.508 5.757 -6.018 1.00 0.00 H new ATOM 0 HE2 PHE B 96 10.011 1.527 -5.866 1.00 0.00 H new ATOM 0 HZ PHE B 96 9.790 3.657 -7.082 1.00 0.00 H new ATOM 1600 N TRP B 97 11.622 2.608 0.626 1.00 0.00 N ATOM 1601 CA TRP B 97 11.635 1.600 1.656 1.00 0.00 C ATOM 1602 C TRP B 97 10.846 2.117 2.871 1.00 0.00 C ATOM 1603 O TRP B 97 10.109 1.384 3.475 1.00 0.00 O ATOM 1604 CB TRP B 97 13.126 1.195 1.965 1.00 0.00 C ATOM 1605 CG TRP B 97 13.317 0.057 2.957 1.00 0.00 C ATOM 1606 CD1 TRP B 97 13.923 -1.121 2.679 1.00 0.00 C ATOM 1607 CD2 TRP B 97 12.945 -0.022 4.356 1.00 0.00 C ATOM 1608 NE1 TRP B 97 13.902 -1.954 3.775 1.00 0.00 N ATOM 1609 CE2 TRP B 97 13.328 -1.299 4.816 1.00 0.00 C ATOM 1610 CE3 TRP B 97 12.322 0.833 5.260 1.00 0.00 C ATOM 1611 CZ2 TRP B 97 13.109 -1.729 6.119 1.00 0.00 C ATOM 1612 CZ3 TRP B 97 12.110 0.402 6.556 1.00 0.00 C ATOM 1613 CH2 TRP B 97 12.501 -0.866 6.975 1.00 0.00 C ATOM 0 H TRP B 97 12.542 3.015 0.459 1.00 0.00 H new ATOM 0 HA TRP B 97 11.136 0.685 1.337 1.00 0.00 H new ATOM 0 HB2 TRP B 97 13.608 0.918 1.027 1.00 0.00 H new ATOM 0 HB3 TRP B 97 13.649 2.073 2.345 1.00 0.00 H new ATOM 0 HD1 TRP B 97 14.364 -1.373 1.726 1.00 0.00 H new ATOM 0 HE1 TRP B 97 14.260 -2.909 3.801 1.00 0.00 H new ATOM 0 HE3 TRP B 97 12.008 1.820 4.953 1.00 0.00 H new ATOM 0 HZ2 TRP B 97 13.411 -2.715 6.440 1.00 0.00 H new ATOM 0 HZ3 TRP B 97 11.629 1.065 7.260 1.00 0.00 H new ATOM 0 HH2 TRP B 97 12.319 -1.169 7.996 1.00 0.00 H new ATOM 1624 N GLY B 98 10.978 3.399 3.181 1.00 0.00 N ATOM 1625 CA GLY B 98 10.333 3.999 4.345 1.00 0.00 C ATOM 1626 C GLY B 98 8.804 4.118 4.340 1.00 0.00 C ATOM 1627 O GLY B 98 8.190 3.803 5.361 1.00 0.00 O ATOM 0 H GLY B 98 11.535 4.055 2.633 1.00 0.00 H new ATOM 0 HA2 GLY B 98 10.620 3.418 5.222 1.00 0.00 H new ATOM 0 HA3 GLY B 98 10.745 4.999 4.476 1.00 0.00 H new ATOM 1631 N GLN B 99 8.181 4.584 3.228 1.00 0.00 N ATOM 1632 CA GLN B 99 6.701 4.796 3.172 1.00 0.00 C ATOM 1633 C GLN B 99 5.833 3.620 3.712 1.00 0.00 C ATOM 1634 O GLN B 99 5.375 2.761 2.957 1.00 0.00 O ATOM 1635 CB GLN B 99 6.273 5.164 1.745 1.00 0.00 C ATOM 1636 CG GLN B 99 6.537 6.620 1.374 1.00 0.00 C ATOM 1637 CD GLN B 99 5.510 7.580 1.950 1.00 0.00 C ATOM 1638 OE1 GLN B 99 5.669 8.083 3.063 1.00 0.00 O ATOM 1639 NE2 GLN B 99 4.452 7.839 1.191 1.00 0.00 N ATOM 0 H GLN B 99 8.669 4.820 2.364 1.00 0.00 H new ATOM 0 HA GLN B 99 6.508 5.621 3.858 1.00 0.00 H new ATOM 0 HB2 GLN B 99 6.799 4.519 1.041 1.00 0.00 H new ATOM 0 HB3 GLN B 99 5.209 4.958 1.631 1.00 0.00 H new ATOM 0 HG2 GLN B 99 7.528 6.904 1.727 1.00 0.00 H new ATOM 0 HG3 GLN B 99 6.546 6.716 0.288 1.00 0.00 H new ATOM 0 HE21 GLN B 99 4.362 7.399 0.275 1.00 0.00 H new ATOM 0 HE22 GLN B 99 3.730 8.478 1.524 1.00 0.00 H new ATOM 1648 N ASP B 100 5.596 3.640 5.046 1.00 0.00 N ATOM 1649 CA ASP B 100 4.777 2.637 5.794 1.00 0.00 C ATOM 1650 C ASP B 100 4.950 1.171 5.315 1.00 0.00 C ATOM 1651 O ASP B 100 5.877 0.490 5.745 1.00 0.00 O ATOM 1652 CB ASP B 100 3.290 3.050 5.788 1.00 0.00 C ATOM 1653 CG ASP B 100 3.032 4.312 6.592 1.00 0.00 C ATOM 1654 OD1 ASP B 100 2.863 4.206 7.826 1.00 0.00 O ATOM 1655 OD2 ASP B 100 2.999 5.404 5.989 1.00 0.00 O1- ATOM 0 H ASP B 100 5.975 4.368 5.652 1.00 0.00 H new ATOM 0 HA ASP B 100 5.159 2.645 6.815 1.00 0.00 H new ATOM 0 HB2 ASP B 100 2.964 3.206 4.760 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.689 2.236 6.193 1.00 0.00 H new ATOM 1660 N HIS B 101 4.040 0.700 4.437 1.00 0.00 N ATOM 1661 CA HIS B 101 4.063 -0.673 3.879 1.00 0.00 C ATOM 1662 C HIS B 101 5.285 -0.905 2.995 1.00 0.00 C ATOM 1663 O HIS B 101 5.866 -1.994 2.971 1.00 0.00 O ATOM 1664 CB HIS B 101 2.778 -0.972 3.113 1.00 0.00 C ATOM 1665 CG HIS B 101 1.956 -2.031 3.776 1.00 0.00 C ATOM 1666 ND1 HIS B 101 1.727 -3.268 3.215 1.00 0.00 N ATOM 1667 CD2 HIS B 101 1.337 -2.046 4.982 1.00 0.00 C ATOM 1668 CE1 HIS B 101 1.006 -3.997 4.045 1.00 0.00 C ATOM 1669 NE2 HIS B 101 0.758 -3.276 5.124 1.00 0.00 N ATOM 0 H HIS B 101 3.263 1.263 4.092 1.00 0.00 H new ATOM 0 HA HIS B 101 4.131 -1.363 4.720 1.00 0.00 H new ATOM 0 HB2 HIS B 101 2.189 -0.059 3.026 1.00 0.00 H new ATOM 0 HB3 HIS B 101 3.027 -1.289 2.100 1.00 0.00 H new ATOM 0 HD2 HIS B 101 1.307 -1.237 5.697 1.00 0.00 H new ATOM 0 HE1 HIS B 101 0.675 -5.010 3.872 1.00 0.00 H new ATOM 0 HE2 HIS B 101 0.221 -3.587 5.933 1.00 0.00 H new ATOM 1678 N LYS B 102 5.639 0.153 2.276 1.00 0.00 N ATOM 1679 CA LYS B 102 6.772 0.217 1.346 1.00 0.00 C ATOM 1680 C LYS B 102 8.089 -0.350 1.932 1.00 0.00 C ATOM 1681 O LYS B 102 8.928 -0.875 1.198 1.00 0.00 O ATOM 1682 CB LYS B 102 6.988 1.650 0.863 1.00 0.00 C ATOM 1683 CG LYS B 102 5.868 2.185 -0.026 1.00 0.00 C ATOM 1684 CD LYS B 102 6.412 2.981 -1.204 1.00 0.00 C ATOM 1685 CE LYS B 102 5.361 3.925 -1.764 1.00 0.00 C ATOM 1686 NZ LYS B 102 5.864 4.688 -2.939 1.00 0.00 N1+ ATOM 0 H LYS B 102 5.124 1.032 2.324 1.00 0.00 H new ATOM 0 HA LYS B 102 6.507 -0.422 0.504 1.00 0.00 H new ATOM 0 HB2 LYS B 102 7.092 2.302 1.730 1.00 0.00 H new ATOM 0 HB3 LYS B 102 7.928 1.699 0.313 1.00 0.00 H new ATOM 0 HG2 LYS B 102 5.269 1.353 -0.395 1.00 0.00 H new ATOM 0 HG3 LYS B 102 5.206 2.817 0.565 1.00 0.00 H new ATOM 0 HD2 LYS B 102 7.285 3.552 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS B 102 6.744 2.297 -1.986 1.00 0.00 H new ATOM 0 HE2 LYS B 102 4.479 3.354 -2.053 1.00 0.00 H new ATOM 0 HE3 LYS B 102 5.049 4.622 -0.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 5.115 5.319 -3.289 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 6.690 5.253 -2.658 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 6.138 4.025 -3.692 1.00 0.00 H new ATOM 1700 N VAL B 103 8.242 -0.214 3.259 1.00 0.00 N ATOM 1701 CA VAL B 103 9.466 -0.574 4.026 1.00 0.00 C ATOM 1702 C VAL B 103 10.021 -1.940 3.631 1.00 0.00 C ATOM 1703 O VAL B 103 11.148 -2.032 3.171 1.00 0.00 O ATOM 1704 CB VAL B 103 9.196 -0.524 5.584 1.00 0.00 C ATOM 1705 CG1 VAL B 103 8.870 0.892 6.044 1.00 0.00 C ATOM 1706 CG2 VAL B 103 8.076 -1.469 6.039 1.00 0.00 C ATOM 0 H VAL B 103 7.502 0.159 3.853 1.00 0.00 H new ATOM 0 HA VAL B 103 10.220 0.171 3.773 1.00 0.00 H new ATOM 0 HB VAL B 103 10.123 -0.862 6.047 1.00 0.00 H new ATOM 0 HG11 VAL B 103 8.690 0.893 7.119 1.00 0.00 H new ATOM 0 HG12 VAL B 103 9.708 1.551 5.816 1.00 0.00 H new ATOM 0 HG13 VAL B 103 7.979 1.247 5.526 1.00 0.00 H new ATOM 0 HG21 VAL B 103 7.944 -1.384 7.118 1.00 0.00 H new ATOM 0 HG22 VAL B 103 7.147 -1.200 5.537 1.00 0.00 H new ATOM 0 HG23 VAL B 103 8.341 -2.496 5.786 1.00 0.00 H new ATOM 1716 N ASP B 104 9.269 -2.974 3.878 1.00 0.00 N ATOM 1717 CA ASP B 104 9.589 -4.322 3.450 1.00 0.00 C ATOM 1718 C ASP B 104 9.258 -4.525 1.957 1.00 0.00 C ATOM 1719 O ASP B 104 9.887 -5.332 1.269 1.00 0.00 O ATOM 1720 CB ASP B 104 9.018 -5.390 4.376 1.00 0.00 C ATOM 1721 CG ASP B 104 7.502 -5.330 4.559 1.00 0.00 C ATOM 1722 OD1 ASP B 104 7.001 -4.289 5.033 1.00 0.00 O ATOM 1723 OD2 ASP B 104 6.818 -6.328 4.233 1.00 0.00 O1- ATOM 0 H ASP B 104 8.392 -2.910 4.395 1.00 0.00 H new ATOM 0 HA ASP B 104 10.668 -4.452 3.537 1.00 0.00 H new ATOM 0 HB2 ASP B 104 9.285 -6.372 3.985 1.00 0.00 H new ATOM 0 HB3 ASP B 104 9.493 -5.297 5.353 1.00 0.00 H new ATOM 1728 N PHE B 105 8.236 -3.756 1.495 1.00 0.00 N ATOM 1729 CA PHE B 105 7.615 -3.901 0.158 1.00 0.00 C ATOM 1730 C PHE B 105 8.627 -3.909 -0.951 1.00 0.00 C ATOM 1731 O PHE B 105 8.464 -4.668 -1.913 1.00 0.00 O ATOM 1732 CB PHE B 105 6.553 -2.788 -0.136 1.00 0.00 C ATOM 1733 CG PHE B 105 6.840 -2.011 -1.445 1.00 0.00 C ATOM 1734 CD1 PHE B 105 7.683 -0.892 -1.463 1.00 0.00 C ATOM 1735 CD2 PHE B 105 6.306 -2.435 -2.661 1.00 0.00 C ATOM 1736 CE1 PHE B 105 7.966 -0.226 -2.642 1.00 0.00 C ATOM 1737 CE2 PHE B 105 6.595 -1.766 -3.843 1.00 0.00 C ATOM 1738 CZ PHE B 105 7.422 -0.663 -3.830 1.00 0.00 C ATOM 0 H PHE B 105 7.818 -3.010 2.051 1.00 0.00 H new ATOM 0 HA PHE B 105 7.115 -4.869 0.187 1.00 0.00 H new ATOM 0 HB2 PHE B 105 5.565 -3.244 -0.199 1.00 0.00 H new ATOM 0 HB3 PHE B 105 6.528 -2.087 0.698 1.00 0.00 H new ATOM 0 HD1 PHE B 105 8.120 -0.543 -0.539 1.00 0.00 H new ATOM 0 HD2 PHE B 105 5.657 -3.298 -2.684 1.00 0.00 H new ATOM 0 HE1 PHE B 105 8.614 0.638 -2.631 1.00 0.00 H new ATOM 0 HE2 PHE B 105 6.171 -2.111 -4.775 1.00 0.00 H new ATOM 0 HZ PHE B 105 7.643 -0.142 -4.750 1.00 0.00 H new ATOM 1748 N ILE B 106 9.658 -3.055 -0.842 1.00 0.00 N ATOM 1749 CA ILE B 106 10.639 -2.983 -1.929 1.00 0.00 C ATOM 1750 C ILE B 106 11.078 -4.400 -2.365 1.00 0.00 C ATOM 1751 O ILE B 106 10.746 -4.808 -3.480 1.00 0.00 O ATOM 1752 CB ILE B 106 11.927 -2.090 -1.659 1.00 0.00 C ATOM 1753 CG1 ILE B 106 12.166 -1.637 -0.207 1.00 0.00 C ATOM 1754 CG2 ILE B 106 11.834 -0.803 -2.471 1.00 0.00 C ATOM 1755 CD1 ILE B 106 11.534 -2.471 0.856 1.00 0.00 C ATOM 0 H ILE B 106 9.828 -2.434 -0.051 1.00 0.00 H new ATOM 0 HA ILE B 106 10.101 -2.471 -2.727 1.00 0.00 H new ATOM 0 HB ILE B 106 12.748 -2.752 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE B 106 13.241 -1.612 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE B 106 11.801 -0.615 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE B 106 12.717 -0.191 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE B 106 11.777 -1.046 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE B 106 10.942 -0.251 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE B 106 11.772 -2.055 1.835 1.00 0.00 H new ATOM 0 HD12 ILE B 106 10.453 -2.478 0.718 1.00 0.00 H new ATOM 0 HD13 ILE B 106 11.915 -3.490 0.793 1.00 0.00 H new ATOM 1767 N LEU B 107 11.709 -5.186 -1.501 1.00 0.00 N ATOM 1768 CA LEU B 107 12.132 -6.542 -1.898 1.00 0.00 C ATOM 1769 C LEU B 107 10.954 -7.525 -2.017 1.00 0.00 C ATOM 1770 O LEU B 107 10.923 -8.335 -2.947 1.00 0.00 O ATOM 1771 CB LEU B 107 13.217 -7.065 -0.950 1.00 0.00 C ATOM 1772 CG LEU B 107 13.673 -8.529 -1.148 1.00 0.00 C ATOM 1773 CD1 LEU B 107 15.161 -8.673 -0.888 1.00 0.00 C ATOM 1774 CD2 LEU B 107 12.900 -9.466 -0.228 1.00 0.00 C ATOM 0 H LEU B 107 11.939 -4.926 -0.542 1.00 0.00 H new ATOM 0 HA LEU B 107 12.557 -6.467 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU B 107 14.091 -6.421 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU B 107 12.854 -6.958 0.072 1.00 0.00 H new ATOM 0 HG LEU B 107 13.468 -8.801 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU B 107 15.457 -9.712 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU B 107 15.714 -8.038 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU B 107 15.382 -8.373 0.136 1.00 0.00 H new ATOM 0 HD21 LEU B 107 13.238 -10.490 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU B 107 13.073 -9.182 0.810 1.00 0.00 H new ATOM 0 HD23 LEU B 107 11.835 -9.397 -0.450 1.00 0.00 H new ATOM 1786 N GLN B 108 10.006 -7.457 -1.073 1.00 0.00 N ATOM 1787 CA GLN B 108 8.844 -8.362 -1.064 1.00 0.00 C ATOM 1788 C GLN B 108 7.827 -8.029 -2.175 1.00 0.00 C ATOM 1789 O GLN B 108 6.688 -7.624 -1.906 1.00 0.00 O ATOM 1790 CB GLN B 108 8.175 -8.349 0.319 1.00 0.00 C ATOM 1791 CG GLN B 108 8.936 -9.139 1.373 1.00 0.00 C ATOM 1792 CD GLN B 108 8.223 -9.166 2.711 1.00 0.00 C ATOM 1793 OE1 GLN B 108 8.443 -8.305 3.562 1.00 0.00 O ATOM 1794 NE2 GLN B 108 7.363 -10.159 2.903 1.00 0.00 N ATOM 0 H GLN B 108 10.019 -6.786 -0.305 1.00 0.00 H new ATOM 0 HA GLN B 108 9.210 -9.367 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN B 108 8.073 -7.317 0.654 1.00 0.00 H new ATOM 0 HB3 GLN B 108 7.168 -8.756 0.230 1.00 0.00 H new ATOM 0 HG2 GLN B 108 9.080 -10.161 1.022 1.00 0.00 H new ATOM 0 HG3 GLN B 108 9.927 -8.704 1.503 1.00 0.00 H new ATOM 0 HE21 GLN B 108 7.211 -10.851 2.170 1.00 0.00 H new ATOM 0 HE22 GLN B 108 6.854 -10.229 3.784 1.00 0.00 H new ATOM 1803 N ARG B 109 8.269 -8.197 -3.435 1.00 0.00 N ATOM 1804 CA ARG B 109 7.428 -7.953 -4.614 1.00 0.00 C ATOM 1805 C ARG B 109 7.924 -8.796 -5.809 1.00 0.00 C ATOM 1806 O ARG B 109 7.485 -9.937 -5.974 1.00 0.00 O ATOM 1807 CB ARG B 109 7.366 -6.444 -4.958 1.00 0.00 C ATOM 1808 CG ARG B 109 6.173 -6.056 -5.827 1.00 0.00 C ATOM 1809 CD ARG B 109 5.888 -4.566 -5.752 1.00 0.00 C ATOM 1810 NE ARG B 109 4.833 -4.162 -6.687 1.00 0.00 N ATOM 1811 CZ ARG B 109 3.893 -3.239 -6.429 1.00 0.00 C ATOM 1812 NH1 ARG B 109 3.854 -2.606 -5.258 1.00 0.00 N1+ ATOM 1813 NH2 ARG B 109 2.986 -2.953 -7.352 1.00 0.00 N ATOM 0 H ARG B 109 9.215 -8.504 -3.660 1.00 0.00 H new ATOM 0 HA ARG B 109 6.410 -8.266 -4.384 1.00 0.00 H new ATOM 0 HB2 ARG B 109 7.329 -5.871 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG B 109 8.285 -6.161 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG B 109 6.369 -6.338 -6.862 1.00 0.00 H new ATOM 0 HG3 ARG B 109 5.292 -6.612 -5.506 1.00 0.00 H new ATOM 0 HD2 ARG B 109 5.592 -4.304 -4.736 1.00 0.00 H new ATOM 0 HD3 ARG B 109 6.800 -4.011 -5.972 1.00 0.00 H new ATOM 0 HE ARG B 109 4.812 -4.616 -7.600 1.00 0.00 H new ATOM 0 HH11 ARG B 109 4.546 -2.820 -4.539 1.00 0.00 H new ATOM 0 HH12 ARG B 109 3.132 -1.908 -5.080 1.00 0.00 H new ATOM 0 HH21 ARG B 109 3.005 -3.433 -8.252 1.00 0.00 H new ATOM 0 HH22 ARG B 109 2.269 -2.253 -7.163 1.00 0.00 H new ATOM 1827 N GLU B 110 8.838 -8.236 -6.636 1.00 0.00 N ATOM 1828 CA GLU B 110 9.381 -8.944 -7.814 1.00 0.00 C ATOM 1829 C GLU B 110 10.689 -8.310 -8.349 1.00 0.00 C ATOM 1830 O GLU B 110 11.648 -9.048 -8.587 1.00 0.00 O ATOM 1831 CB GLU B 110 8.345 -9.014 -8.951 1.00 0.00 C ATOM 1832 CG GLU B 110 7.587 -10.332 -9.005 1.00 0.00 C ATOM 1833 CD GLU B 110 6.583 -10.381 -10.139 1.00 0.00 C ATOM 1834 OE1 GLU B 110 6.963 -10.807 -11.250 1.00 0.00 O ATOM 1835 OE2 GLU B 110 5.416 -9.995 -9.916 1.00 0.00 O1- ATOM 0 H GLU B 110 9.213 -7.296 -6.507 1.00 0.00 H new ATOM 0 HA GLU B 110 9.615 -9.952 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU B 110 7.631 -8.199 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU B 110 8.852 -8.857 -9.903 1.00 0.00 H new ATOM 0 HG2 GLU B 110 8.297 -11.151 -9.118 1.00 0.00 H new ATOM 0 HG3 GLU B 110 7.069 -10.488 -8.059 1.00 0.00 H new ATOM 1842 N PRO B 111 10.774 -6.945 -8.555 1.00 0.00 N ATOM 1843 CA PRO B 111 11.999 -6.294 -9.096 1.00 0.00 C ATOM 1844 C PRO B 111 13.235 -6.442 -8.201 1.00 0.00 C ATOM 1845 O PRO B 111 13.120 -6.519 -6.977 1.00 0.00 O ATOM 1846 CB PRO B 111 11.611 -4.811 -9.206 1.00 0.00 C ATOM 1847 CG PRO B 111 10.125 -4.793 -9.183 1.00 0.00 C ATOM 1848 CD PRO B 111 9.721 -5.932 -8.296 1.00 0.00 C ATOM 0 HA PRO B 111 12.289 -6.758 -10.039 1.00 0.00 H new ATOM 0 HB2 PRO B 111 12.024 -4.234 -8.379 1.00 0.00 H new ATOM 0 HB3 PRO B 111 11.996 -4.371 -10.126 1.00 0.00 H new ATOM 0 HG2 PRO B 111 9.751 -3.845 -8.798 1.00 0.00 H new ATOM 0 HG3 PRO B 111 9.716 -4.913 -10.186 1.00 0.00 H new ATOM 0 HD2 PRO B 111 9.694 -5.637 -7.247 1.00 0.00 H new ATOM 0 HD3 PRO B 111 8.729 -6.307 -8.547 1.00 0.00 H new ATOM 1856 N TYR B 112 14.415 -6.469 -8.845 1.00 0.00 N ATOM 1857 CA TYR B 112 15.711 -6.604 -8.151 1.00 0.00 C ATOM 1858 C TYR B 112 16.102 -5.318 -7.399 1.00 0.00 C ATOM 1859 O TYR B 112 16.613 -5.372 -6.275 1.00 0.00 O ATOM 1860 CB TYR B 112 16.822 -7.006 -9.144 1.00 0.00 C ATOM 1861 CG TYR B 112 16.943 -6.115 -10.372 1.00 0.00 C ATOM 1862 CD1 TYR B 112 17.763 -4.994 -10.361 1.00 0.00 C ATOM 1863 CD2 TYR B 112 16.238 -6.402 -11.533 1.00 0.00 C ATOM 1864 CE1 TYR B 112 17.876 -4.183 -11.475 1.00 0.00 C ATOM 1865 CE2 TYR B 112 16.346 -5.596 -12.651 1.00 0.00 C ATOM 1866 CZ TYR B 112 17.166 -4.489 -12.617 1.00 0.00 C ATOM 1867 OH TYR B 112 17.278 -3.684 -13.725 1.00 0.00 O ATOM 0 H TYR B 112 14.499 -6.398 -9.859 1.00 0.00 H new ATOM 0 HA TYR B 112 15.597 -7.394 -7.409 1.00 0.00 H new ATOM 0 HB2 TYR B 112 17.776 -7.004 -8.618 1.00 0.00 H new ATOM 0 HB3 TYR B 112 16.641 -8.029 -9.473 1.00 0.00 H new ATOM 0 HD1 TYR B 112 18.321 -4.752 -9.468 1.00 0.00 H new ATOM 0 HD2 TYR B 112 15.595 -7.269 -11.563 1.00 0.00 H new ATOM 0 HE1 TYR B 112 18.517 -3.314 -11.451 1.00 0.00 H new ATOM 0 HE2 TYR B 112 15.791 -5.833 -13.546 1.00 0.00 H new ATOM 0 HH TYR B 112 16.715 -4.038 -14.445 1.00 0.00 H new ATOM 1877 N CYS B 113 15.858 -4.166 -8.047 1.00 0.00 N ATOM 1878 CA CYS B 113 16.159 -2.836 -7.487 1.00 0.00 C ATOM 1879 C CYS B 113 15.536 -2.634 -6.098 1.00 0.00 C ATOM 1880 O CYS B 113 16.158 -2.057 -5.203 1.00 0.00 O ATOM 1881 CB CYS B 113 15.671 -1.743 -8.440 1.00 0.00 C ATOM 1882 SG CYS B 113 13.901 -1.815 -8.804 1.00 0.00 S ATOM 0 H CYS B 113 15.444 -4.131 -8.979 1.00 0.00 H new ATOM 0 HA CYS B 113 17.241 -2.770 -7.373 1.00 0.00 H new ATOM 0 HB2 CYS B 113 15.903 -0.770 -8.008 1.00 0.00 H new ATOM 0 HB3 CYS B 113 16.226 -1.817 -9.375 1.00 0.00 H new ATOM 0 HG CYS B 113 13.585 -0.850 -9.615 1.00 0.00 H new ATOM 1888 N ARG B 114 14.301 -3.119 -5.929 1.00 0.00 N ATOM 1889 CA ARG B 114 13.575 -2.995 -4.682 1.00 0.00 C ATOM 1890 C ARG B 114 14.168 -3.966 -3.665 1.00 0.00 C ATOM 1891 O ARG B 114 14.287 -3.659 -2.477 1.00 0.00 O ATOM 1892 CB ARG B 114 12.069 -3.207 -4.902 1.00 0.00 C ATOM 1893 CG ARG B 114 11.432 -2.223 -5.884 1.00 0.00 C ATOM 1894 CD ARG B 114 9.909 -2.256 -5.827 1.00 0.00 C ATOM 1895 NE ARG B 114 9.308 -1.365 -6.827 1.00 0.00 N ATOM 1896 CZ ARG B 114 8.346 -1.719 -7.691 1.00 0.00 C ATOM 1897 NH1 ARG B 114 7.849 -2.955 -7.703 1.00 0.00 N1+ ATOM 1898 NH2 ARG B 114 7.876 -0.825 -8.549 1.00 0.00 N ATOM 0 H ARG B 114 13.785 -3.608 -6.661 1.00 0.00 H new ATOM 0 HA ARG B 114 13.681 -1.985 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG B 114 11.906 -4.222 -5.265 1.00 0.00 H new ATOM 0 HB3 ARG B 114 11.559 -3.126 -3.942 1.00 0.00 H new ATOM 0 HG2 ARG B 114 11.780 -1.214 -5.662 1.00 0.00 H new ATOM 0 HG3 ARG B 114 11.761 -2.458 -6.896 1.00 0.00 H new ATOM 0 HD2 ARG B 114 9.561 -3.276 -5.992 1.00 0.00 H new ATOM 0 HD3 ARG B 114 9.576 -1.963 -4.831 1.00 0.00 H new ATOM 0 HE ARG B 114 9.648 -0.404 -6.867 1.00 0.00 H new ATOM 0 HH11 ARG B 114 8.200 -3.652 -7.047 1.00 0.00 H new ATOM 0 HH12 ARG B 114 7.117 -3.204 -8.369 1.00 0.00 H new ATOM 0 HH21 ARG B 114 8.246 0.125 -8.549 1.00 0.00 H new ATOM 0 HH22 ARG B 114 7.144 -1.087 -9.209 1.00 0.00 H new ATOM 1912 N ASP B 115 14.527 -5.151 -4.175 1.00 0.00 N ATOM 1913 CA ASP B 115 15.157 -6.222 -3.399 1.00 0.00 C ATOM 1914 C ASP B 115 16.373 -5.737 -2.607 1.00 0.00 C ATOM 1915 O ASP B 115 16.552 -6.124 -1.465 1.00 0.00 O ATOM 1916 CB ASP B 115 15.569 -7.378 -4.311 1.00 0.00 C ATOM 1917 CG ASP B 115 14.489 -8.436 -4.433 1.00 0.00 C ATOM 1918 OD1 ASP B 115 13.406 -8.123 -4.969 1.00 0.00 O1- ATOM 1919 OD2 ASP B 115 14.726 -9.579 -3.987 1.00 0.00 O ATOM 0 H ASP B 115 14.385 -5.395 -5.155 1.00 0.00 H new ATOM 0 HA ASP B 115 14.411 -6.566 -2.683 1.00 0.00 H new ATOM 0 HB2 ASP B 115 15.805 -6.989 -5.301 1.00 0.00 H new ATOM 0 HB3 ASP B 115 16.479 -7.836 -3.923 1.00 0.00 H new ATOM 1924 N ILE B 116 17.155 -4.835 -3.221 1.00 0.00 N ATOM 1925 CA ILE B 116 18.409 -4.337 -2.652 1.00 0.00 C ATOM 1926 C ILE B 116 18.082 -3.345 -1.546 1.00 0.00 C ATOM 1927 O ILE B 116 18.746 -3.285 -0.519 1.00 0.00 O ATOM 1928 CB ILE B 116 19.379 -3.754 -3.746 1.00 0.00 C ATOM 1929 CG1 ILE B 116 20.773 -3.445 -3.167 1.00 0.00 C ATOM 1930 CG2 ILE B 116 18.815 -2.523 -4.446 1.00 0.00 C ATOM 1931 CD1 ILE B 116 21.719 -4.629 -3.176 1.00 0.00 C ATOM 0 H ILE B 116 16.931 -4.431 -4.130 1.00 0.00 H new ATOM 0 HA ILE B 116 18.964 -5.169 -2.217 1.00 0.00 H new ATOM 0 HB ILE B 116 19.479 -4.537 -4.497 1.00 0.00 H new ATOM 0 HG12 ILE B 116 21.220 -2.631 -3.738 1.00 0.00 H new ATOM 0 HG13 ILE B 116 20.660 -3.091 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE B 116 19.529 -2.168 -5.189 1.00 0.00 H new ATOM 0 HG22 ILE B 116 17.878 -2.782 -4.939 1.00 0.00 H new ATOM 0 HG23 ILE B 116 18.634 -1.738 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE B 116 22.678 -4.331 -2.753 1.00 0.00 H new ATOM 0 HD12 ILE B 116 21.295 -5.438 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE B 116 21.865 -4.971 -4.201 1.00 0.00 H new ATOM 1943 N ASN B 117 17.050 -2.548 -1.835 1.00 0.00 N ATOM 1944 CA ASN B 117 16.518 -1.535 -0.933 1.00 0.00 C ATOM 1945 C ASN B 117 16.220 -2.132 0.461 1.00 0.00 C ATOM 1946 O ASN B 117 16.768 -1.664 1.463 1.00 0.00 O ATOM 1947 CB ASN B 117 15.254 -0.963 -1.579 1.00 0.00 C ATOM 1948 CG ASN B 117 15.491 -0.315 -2.947 1.00 0.00 C ATOM 1949 OD1 ASN B 117 14.611 -0.331 -3.806 1.00 0.00 O ATOM 1950 ND2 ASN B 117 16.673 0.266 -3.155 1.00 0.00 N ATOM 0 H ASN B 117 16.553 -2.594 -2.724 1.00 0.00 H new ATOM 0 HA ASN B 117 17.250 -0.742 -0.777 1.00 0.00 H new ATOM 0 HB2 ASN B 117 14.521 -1.762 -1.689 1.00 0.00 H new ATOM 0 HB3 ASN B 117 14.819 -0.222 -0.908 1.00 0.00 H new ATOM 0 HD21 ASN B 117 16.870 0.716 -4.049 1.00 0.00 H new ATOM 0 HD22 ASN B 117 17.380 0.261 -2.420 1.00 0.00 H new ATOM 1957 N GLN B 118 15.350 -3.166 0.513 1.00 0.00 N ATOM 1958 CA GLN B 118 15.031 -3.875 1.771 1.00 0.00 C ATOM 1959 C GLN B 118 16.194 -4.743 2.179 1.00 0.00 C ATOM 1960 O GLN B 118 16.500 -4.875 3.364 1.00 0.00 O ATOM 1961 CB GLN B 118 13.725 -4.672 1.670 1.00 0.00 C ATOM 1962 CG GLN B 118 13.788 -6.120 2.153 1.00 0.00 C ATOM 1963 CD GLN B 118 12.418 -6.655 2.507 1.00 0.00 C ATOM 1964 OE1 GLN B 118 11.759 -7.312 1.702 1.00 0.00 O ATOM 1965 NE2 GLN B 118 11.976 -6.352 3.719 1.00 0.00 N ATOM 0 H GLN B 118 14.856 -3.528 -0.303 1.00 0.00 H new ATOM 0 HA GLN B 118 14.867 -3.131 2.551 1.00 0.00 H new ATOM 0 HB2 GLN B 118 12.959 -4.151 2.244 1.00 0.00 H new ATOM 0 HB3 GLN B 118 13.400 -4.670 0.629 1.00 0.00 H new ATOM 0 HG2 GLN B 118 14.232 -6.743 1.377 1.00 0.00 H new ATOM 0 HG3 GLN B 118 14.440 -6.184 3.024 1.00 0.00 H new ATOM 0 HE21 GLN B 118 12.559 -5.804 4.352 1.00 0.00 H new ATOM 0 HE22 GLN B 118 11.053 -6.666 4.019 1.00 0.00 H new ATOM 1974 N LEU B 119 16.806 -5.366 1.175 1.00 0.00 N ATOM 1975 CA LEU B 119 17.974 -6.200 1.372 1.00 0.00 C ATOM 1976 C LEU B 119 18.979 -5.407 2.202 1.00 0.00 C ATOM 1977 O LEU B 119 19.449 -5.869 3.240 1.00 0.00 O ATOM 1978 CB LEU B 119 18.553 -6.532 0.004 1.00 0.00 C ATOM 1979 CG LEU B 119 19.405 -7.809 -0.080 1.00 0.00 C ATOM 1980 CD1 LEU B 119 18.545 -9.031 -0.361 1.00 0.00 C ATOM 1981 CD2 LEU B 119 20.482 -7.658 -1.144 1.00 0.00 C ATOM 0 H LEU B 119 16.501 -5.303 0.204 1.00 0.00 H new ATOM 0 HA LEU B 119 17.728 -7.127 1.890 1.00 0.00 H new ATOM 0 HB2 LEU B 119 17.729 -6.622 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU B 119 19.164 -5.690 -0.323 1.00 0.00 H new ATOM 0 HG LEU B 119 19.885 -7.956 0.887 1.00 0.00 H new ATOM 0 HD11 LEU B 119 19.178 -9.917 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU B 119 17.815 -9.154 0.439 1.00 0.00 H new ATOM 0 HD13 LEU B 119 18.025 -8.899 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU B 119 21.077 -8.570 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU B 119 20.014 -7.479 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU B 119 21.127 -6.817 -0.892 1.00 0.00 H new ATOM 1993 N SER B 120 19.211 -4.159 1.771 1.00 0.00 N ATOM 1994 CA SER B 120 20.109 -3.252 2.481 1.00 0.00 C ATOM 1995 C SER B 120 19.522 -2.846 3.848 1.00 0.00 C ATOM 1996 O SER B 120 20.114 -3.158 4.881 1.00 0.00 O ATOM 1997 CB SER B 120 20.410 -2.008 1.635 1.00 0.00 C ATOM 1998 OG SER B 120 21.090 -2.355 0.441 1.00 0.00 O ATOM 0 H SER B 120 18.787 -3.759 0.934 1.00 0.00 H new ATOM 0 HA SER B 120 21.045 -3.782 2.658 1.00 0.00 H new ATOM 0 HB2 SER B 120 19.479 -1.496 1.391 1.00 0.00 H new ATOM 0 HB3 SER B 120 21.016 -1.310 2.212 1.00 0.00 H new ATOM 0 HG SER B 120 20.498 -2.889 -0.129 1.00 0.00 H new ATOM 2004 N GLU B 121 18.352 -2.167 3.858 1.00 0.00 N ATOM 2005 CA GLU B 121 17.738 -1.723 5.120 1.00 0.00 C ATOM 2006 C GLU B 121 17.082 -2.844 5.939 1.00 0.00 C ATOM 2007 O GLU B 121 17.549 -3.124 7.047 1.00 0.00 O ATOM 2008 CB GLU B 121 16.726 -0.599 4.884 1.00 0.00 C ATOM 2009 CG GLU B 121 16.835 0.545 5.895 1.00 0.00 C ATOM 2010 CD GLU B 121 16.450 0.157 7.316 1.00 0.00 C ATOM 2011 OE1 GLU B 121 15.325 -0.341 7.521 1.00 0.00 O1- ATOM 2012 OE2 GLU B 121 17.282 0.355 8.226 1.00 0.00 O ATOM 0 H GLU B 121 17.826 -1.920 3.020 1.00 0.00 H new ATOM 0 HA GLU B 121 18.573 -1.353 5.715 1.00 0.00 H new ATOM 0 HB2 GLU B 121 16.866 -0.200 3.880 1.00 0.00 H new ATOM 0 HB3 GLU B 121 15.719 -1.014 4.924 1.00 0.00 H new ATOM 0 HG2 GLU B 121 17.859 0.918 5.896 1.00 0.00 H new ATOM 0 HG3 GLU B 121 16.197 1.366 5.568 1.00 0.00 H new ATOM 2019 N ALA B 122 16.002 -3.488 5.423 1.00 0.00 N ATOM 2020 CA ALA B 122 15.338 -4.565 6.181 1.00 0.00 C ATOM 2021 C ALA B 122 16.249 -5.747 6.586 1.00 0.00 C ATOM 2022 O ALA B 122 16.135 -6.227 7.716 1.00 0.00 O ATOM 2023 CB ALA B 122 14.133 -5.078 5.425 1.00 0.00 C ATOM 0 H ALA B 122 15.588 -3.284 4.513 1.00 0.00 H new ATOM 0 HA ALA B 122 15.036 -4.099 7.119 1.00 0.00 H new ATOM 0 HB1 ALA B 122 13.655 -5.872 5.998 1.00 0.00 H new ATOM 0 HB2 ALA B 122 13.425 -4.263 5.273 1.00 0.00 H new ATOM 0 HB3 ALA B 122 14.449 -5.469 4.458 1.00 0.00 H new ATOM 2029 N LEU B 123 17.149 -6.220 5.695 1.00 0.00 N ATOM 2030 CA LEU B 123 18.009 -7.373 6.024 1.00 0.00 C ATOM 2031 C LEU B 123 19.128 -7.033 7.025 1.00 0.00 C ATOM 2032 O LEU B 123 19.397 -7.823 7.932 1.00 0.00 O ATOM 2033 CB LEU B 123 18.592 -8.003 4.751 1.00 0.00 C ATOM 2034 CG LEU B 123 19.026 -9.473 4.861 1.00 0.00 C ATOM 2035 CD1 LEU B 123 18.763 -10.203 3.554 1.00 0.00 C ATOM 2036 CD2 LEU B 123 20.499 -9.574 5.234 1.00 0.00 C ATOM 0 H LEU B 123 17.296 -5.830 4.764 1.00 0.00 H new ATOM 0 HA LEU B 123 17.365 -8.101 6.518 1.00 0.00 H new ATOM 0 HB2 LEU B 123 17.849 -7.923 3.958 1.00 0.00 H new ATOM 0 HB3 LEU B 123 19.454 -7.413 4.440 1.00 0.00 H new ATOM 0 HG LEU B 123 18.438 -9.944 5.649 1.00 0.00 H new ATOM 0 HD11 LEU B 123 19.076 -11.243 3.649 1.00 0.00 H new ATOM 0 HD12 LEU B 123 17.698 -10.164 3.323 1.00 0.00 H new ATOM 0 HD13 LEU B 123 19.326 -9.726 2.751 1.00 0.00 H new ATOM 0 HD21 LEU B 123 20.785 -10.623 5.306 1.00 0.00 H new ATOM 0 HD22 LEU B 123 21.102 -9.086 4.469 1.00 0.00 H new ATOM 0 HD23 LEU B 123 20.666 -9.085 6.194 1.00 0.00 H new ATOM 2048 N LEU B 124 19.775 -5.863 6.863 1.00 0.00 N ATOM 2049 CA LEU B 124 20.883 -5.460 7.752 1.00 0.00 C ATOM 2050 C LEU B 124 20.410 -5.067 9.158 1.00 0.00 C ATOM 2051 O LEU B 124 21.052 -5.425 10.149 1.00 0.00 O ATOM 2052 CB LEU B 124 21.697 -4.314 7.133 1.00 0.00 C ATOM 2053 CG LEU B 124 22.757 -4.734 6.103 1.00 0.00 C ATOM 2054 CD1 LEU B 124 23.092 -3.572 5.181 1.00 0.00 C ATOM 2055 CD2 LEU B 124 24.026 -5.231 6.793 1.00 0.00 C ATOM 0 H LEU B 124 19.553 -5.186 6.133 1.00 0.00 H new ATOM 0 HA LEU B 124 21.520 -6.338 7.859 1.00 0.00 H new ATOM 0 HB2 LEU B 124 21.007 -3.619 6.655 1.00 0.00 H new ATOM 0 HB3 LEU B 124 22.193 -3.769 7.936 1.00 0.00 H new ATOM 0 HG LEU B 124 22.343 -5.551 5.512 1.00 0.00 H new ATOM 0 HD11 LEU B 124 23.844 -3.887 4.458 1.00 0.00 H new ATOM 0 HD12 LEU B 124 22.192 -3.255 4.654 1.00 0.00 H new ATOM 0 HD13 LEU B 124 23.480 -2.741 5.770 1.00 0.00 H new ATOM 0 HD21 LEU B 124 24.759 -5.522 6.041 1.00 0.00 H new ATOM 0 HD22 LEU B 124 24.438 -4.435 7.413 1.00 0.00 H new ATOM 0 HD23 LEU B 124 23.787 -6.091 7.418 1.00 0.00 H new ATOM 2067 N SER B 125 19.292 -4.332 9.235 1.00 0.00 N ATOM 2068 CA SER B 125 18.739 -3.871 10.519 1.00 0.00 C ATOM 2069 C SER B 125 18.108 -5.009 11.337 1.00 0.00 C ATOM 2070 O SER B 125 18.302 -5.077 12.554 1.00 0.00 O ATOM 2071 CB SER B 125 17.704 -2.770 10.280 1.00 0.00 C ATOM 2072 OG SER B 125 18.302 -1.633 9.683 1.00 0.00 O ATOM 0 H SER B 125 18.750 -4.042 8.421 1.00 0.00 H new ATOM 0 HA SER B 125 19.573 -3.479 11.101 1.00 0.00 H new ATOM 0 HB2 SER B 125 16.909 -3.147 9.637 1.00 0.00 H new ATOM 0 HB3 SER B 125 17.242 -2.488 11.226 1.00 0.00 H new ATOM 0 HG SER B 125 17.617 -1.111 9.215 1.00 0.00 H new ATOM 2078 N LEU B 126 17.357 -5.894 10.661 1.00 0.00 N ATOM 2079 CA LEU B 126 16.686 -7.026 11.320 1.00 0.00 C ATOM 2080 C LEU B 126 17.666 -8.130 11.747 1.00 0.00 C ATOM 2081 O LEU B 126 17.597 -8.613 12.882 1.00 0.00 O ATOM 2082 CB LEU B 126 15.599 -7.610 10.403 1.00 0.00 C ATOM 2083 CG LEU B 126 14.187 -7.029 10.586 1.00 0.00 C ATOM 2084 CD1 LEU B 126 14.040 -5.692 9.865 1.00 0.00 C ATOM 2085 CD2 LEU B 126 13.142 -8.016 10.089 1.00 0.00 C ATOM 0 H LEU B 126 17.199 -5.846 9.654 1.00 0.00 H new ATOM 0 HA LEU B 126 16.228 -6.636 12.229 1.00 0.00 H new ATOM 0 HB2 LEU B 126 15.903 -7.457 9.367 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.552 -8.687 10.566 1.00 0.00 H new ATOM 0 HG LEU B 126 14.031 -6.854 11.651 1.00 0.00 H new ATOM 0 HD11 LEU B 126 13.031 -5.308 10.014 1.00 0.00 H new ATOM 0 HD12 LEU B 126 14.762 -4.981 10.266 1.00 0.00 H new ATOM 0 HD13 LEU B 126 14.222 -5.831 8.799 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.147 -7.592 10.225 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.308 -8.220 9.031 1.00 0.00 H new ATOM 0 HD23 LEU B 126 13.221 -8.945 10.654 1.00 0.00 H new ATOM 2097 N ASN B 127 18.574 -8.521 10.836 1.00 0.00 N ATOM 2098 CA ASN B 127 19.565 -9.577 11.112 1.00 0.00 C ATOM 2099 C ASN B 127 20.665 -9.100 12.074 1.00 0.00 C ATOM 2100 O ASN B 127 20.811 -9.648 13.170 1.00 0.00 O ATOM 2101 CB ASN B 127 20.182 -10.094 9.803 1.00 0.00 C ATOM 2102 CG ASN B 127 19.196 -10.886 8.964 1.00 0.00 C ATOM 2103 OD1 ASN B 127 18.486 -10.328 8.128 1.00 0.00 O ATOM 2104 ND2 ASN B 127 19.148 -12.194 9.185 1.00 0.00 N ATOM 0 H ASN B 127 18.642 -8.121 9.900 1.00 0.00 H new ATOM 0 HA ASN B 127 19.037 -10.395 11.602 1.00 0.00 H new ATOM 0 HB2 ASN B 127 20.551 -9.249 9.222 1.00 0.00 H new ATOM 0 HB3 ASN B 127 21.042 -10.722 10.035 1.00 0.00 H new ATOM 0 HD21 ASN B 127 18.504 -12.778 8.652 1.00 0.00 H new ATOM 0 HD22 ASN B 127 19.755 -12.615 9.888 1.00 0.00 H new ATOM 2111 N PHE B 128 21.432 -8.077 11.655 1.00 0.00 N ATOM 2112 CA PHE B 128 22.521 -7.516 12.470 1.00 0.00 C ATOM 2113 C PHE B 128 21.983 -6.689 13.643 1.00 0.00 C ATOM 2114 O PHE B 128 21.283 -5.682 13.393 1.00 0.00 O ATOM 2115 CB PHE B 128 23.455 -6.666 11.600 1.00 0.00 C ATOM 2116 CG PHE B 128 24.359 -7.476 10.712 1.00 0.00 C ATOM 2117 CD1 PHE B 128 23.939 -7.887 9.456 1.00 0.00 C ATOM 2118 CD2 PHE B 128 25.632 -7.825 11.135 1.00 0.00 C ATOM 2119 CE1 PHE B 128 24.771 -8.630 8.640 1.00 0.00 C ATOM 2120 CE2 PHE B 128 26.468 -8.568 10.323 1.00 0.00 C ATOM 2121 CZ PHE B 128 26.036 -8.971 9.074 1.00 0.00 C ATOM 2122 OXT PHE B 128 22.268 -7.057 14.802 1.00 0.00 O1- ATOM 0 H PHE B 128 21.315 -7.621 10.750 1.00 0.00 H new ATOM 0 HA PHE B 128 23.085 -8.350 12.887 1.00 0.00 H new ATOM 0 HB2 PHE B 128 22.854 -6.000 10.981 1.00 0.00 H new ATOM 0 HB3 PHE B 128 24.065 -6.036 12.247 1.00 0.00 H new ATOM 0 HD1 PHE B 128 22.950 -7.623 9.111 1.00 0.00 H new ATOM 0 HD2 PHE B 128 25.975 -7.513 12.110 1.00 0.00 H new ATOM 0 HE1 PHE B 128 24.432 -8.943 7.664 1.00 0.00 H new ATOM 0 HE2 PHE B 128 27.458 -8.833 10.664 1.00 0.00 H new ATOM 0 HZ PHE B 128 26.687 -9.552 8.438 1.00 0.00 H new