USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 918 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 LYS NZ :NH3+ 142:sc= 1.19 (180deg=0.597) USER MOD Set 1.2: A 116 THR OG1 : rot 180:sc= 0.889 USER MOD Set 2.1: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 94 THR OG1 : rot 172:sc= 0.829 USER MOD Set 2.3: A 97 THR OG1 : rot -68:sc= 1.02 USER MOD Set 3.1: A 27 CYS SG : rot -53:sc= -0.0902 USER MOD Set 3.2: A 28 SER OG : rot 180:sc= 0.694 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0 (180deg=-0.178) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0945 USER MOD Single : A 13 GLN : amide:sc= -0.0161 K(o=-0.016,f=-5!) USER MOD Single : A 17 ASN : amide:sc= -0.728 K(o=-0.73,f=-1.2) USER MOD Single : A 19 SER OG : rot 9:sc= 1.19 USER MOD Single : A 22 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.09) USER MOD Single : A 24 LYS NZ :NH3+ 146:sc= 0.00596 (180deg=-1.25!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.476 K(o=0.48,f=-0.08) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0039 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.257 K(o=0.26,f=-5.2!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -107:sc= -1.73 (180deg=-5.66!) USER MOD Single : A 40 THR OG1 : rot -115:sc= 1.56 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0484 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 22:sc= 0.393 USER MOD Single : A 59 ASN : amide:sc= 1.1 K(o=1.1,f=-0.058) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= 0.218 K(o=0.22,f=-3.1!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.27) USER MOD Single : A 83 LYS NZ :NH3+ -130:sc= 0.97 (180deg=-0.000232) USER MOD Single : A 88 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.56) USER MOD Single : A 90 ASN : amide:sc= 0.497 K(o=0.5,f=-0.74) USER MOD Single : A 91 GLN : amide:sc=-0.00491 X(o=-0.0049,f=0.22) USER MOD Single : A 95 LYS NZ :NH3+ 175:sc= -0.121 (180deg=-0.154) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.323 K(o=0.32,f=-3.3!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot 130:sc= 0.671 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc=0.000664 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.545 -15.904 5.469 1.00 0.00 N ATOM 2 CA MET A 1 -11.483 -16.913 5.278 1.00 0.00 C ATOM 3 C MET A 1 -11.372 -17.339 3.813 1.00 0.00 C ATOM 4 O MET A 1 -10.611 -16.719 3.072 1.00 0.00 O ATOM 5 CB MET A 1 -11.605 -18.089 6.264 1.00 0.00 C ATOM 6 CG MET A 1 -10.906 -17.726 7.577 1.00 0.00 C ATOM 7 SD MET A 1 -10.310 -19.153 8.523 1.00 0.00 S ATOM 8 CE MET A 1 -8.953 -18.369 9.421 1.00 0.00 C ATOM 0 H1 MET A 1 -12.781 -15.835 6.480 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.211 -14.980 5.128 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.391 -16.185 4.934 1.00 0.00 H new ATOM 0 HA MET A 1 -10.532 -16.442 5.524 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.655 -18.316 6.449 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.156 -18.985 5.836 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.062 -17.072 7.357 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.597 -17.156 8.198 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.466 -19.106 10.060 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.229 -17.970 8.711 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.344 -17.558 10.035 1.00 0.00 H new ATOM 18 N TYR A 2 -12.097 -18.378 3.373 1.00 0.00 N ATOM 19 CA TYR A 2 -12.057 -18.851 1.988 1.00 0.00 C ATOM 20 C TYR A 2 -12.649 -17.779 1.077 1.00 0.00 C ATOM 21 O TYR A 2 -11.960 -17.150 0.269 1.00 0.00 O ATOM 22 CB TYR A 2 -12.784 -20.191 1.783 1.00 0.00 C ATOM 23 CG TYR A 2 -13.769 -20.566 2.860 1.00 0.00 C ATOM 24 CD1 TYR A 2 -13.263 -21.051 4.069 1.00 0.00 C ATOM 25 CD2 TYR A 2 -15.152 -20.428 2.670 1.00 0.00 C ATOM 26 CE1 TYR A 2 -14.147 -21.440 5.093 1.00 0.00 C ATOM 27 CE2 TYR A 2 -16.038 -20.821 3.686 1.00 0.00 C ATOM 28 CZ TYR A 2 -15.542 -21.343 4.900 1.00 0.00 C ATOM 29 OH TYR A 2 -16.395 -21.725 5.887 1.00 0.00 O ATOM 0 H TYR A 2 -12.727 -18.912 3.971 1.00 0.00 H new ATOM 0 HA TYR A 2 -11.013 -19.033 1.734 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -13.311 -20.157 0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -12.037 -20.981 1.706 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.196 -21.127 4.217 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -15.534 -20.021 1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -13.757 -21.813 6.028 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -17.103 -20.723 3.538 1.00 0.00 H new ATOM 0 HH TYR A 2 -17.319 -21.592 5.590 1.00 0.00 H new ATOM 39 N THR A 3 -13.960 -17.646 1.249 1.00 0.00 N ATOM 40 CA THR A 3 -14.913 -16.809 0.548 1.00 0.00 C ATOM 41 C THR A 3 -15.980 -16.337 1.554 1.00 0.00 C ATOM 42 O THR A 3 -16.943 -15.672 1.183 1.00 0.00 O ATOM 43 CB THR A 3 -15.457 -17.644 -0.636 1.00 0.00 C ATOM 44 OG1 THR A 3 -14.379 -17.965 -1.495 1.00 0.00 O ATOM 45 CG2 THR A 3 -16.519 -16.982 -1.510 1.00 0.00 C ATOM 0 H THR A 3 -14.430 -18.191 1.972 1.00 0.00 H new ATOM 0 HA THR A 3 -14.480 -15.900 0.131 1.00 0.00 H new ATOM 0 HB THR A 3 -15.936 -18.500 -0.161 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.709 -18.496 -2.250 1.00 0.00 H new ATOM 0 HG21 THR A 3 -16.817 -17.668 -2.303 1.00 0.00 H new ATOM 0 HG22 THR A 3 -17.387 -16.732 -0.901 1.00 0.00 H new ATOM 0 HG23 THR A 3 -16.112 -16.073 -1.952 1.00 0.00 H new ATOM 53 N GLU A 4 -15.789 -16.660 2.837 1.00 0.00 N ATOM 54 CA GLU A 4 -16.579 -16.193 3.964 1.00 0.00 C ATOM 55 C GLU A 4 -16.159 -14.743 4.241 1.00 0.00 C ATOM 56 O GLU A 4 -15.379 -14.510 5.169 1.00 0.00 O ATOM 57 CB GLU A 4 -16.347 -17.126 5.168 1.00 0.00 C ATOM 58 CG GLU A 4 -17.202 -16.769 6.405 1.00 0.00 C ATOM 59 CD GLU A 4 -16.353 -16.654 7.682 1.00 0.00 C ATOM 60 OE1 GLU A 4 -15.587 -17.582 7.994 1.00 0.00 O ATOM 61 OE2 GLU A 4 -16.433 -15.612 8.397 1.00 0.00 O ATOM 0 H GLU A 4 -15.038 -17.287 3.125 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.649 -16.213 3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.566 -18.151 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.293 -17.093 5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.719 -15.826 6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.969 -17.531 6.547 1.00 0.00 H new ATOM 68 N GLN A 5 -16.654 -13.840 3.393 1.00 0.00 N ATOM 69 CA GLN A 5 -16.552 -12.381 3.345 1.00 0.00 C ATOM 70 C GLN A 5 -15.105 -11.858 3.375 1.00 0.00 C ATOM 71 O GLN A 5 -14.315 -12.223 4.234 1.00 0.00 O ATOM 72 CB GLN A 5 -17.472 -11.763 4.409 1.00 0.00 C ATOM 73 CG GLN A 5 -17.880 -10.308 4.124 1.00 0.00 C ATOM 74 CD GLN A 5 -19.152 -9.926 4.870 1.00 0.00 C ATOM 75 OE1 GLN A 5 -20.218 -10.474 4.577 1.00 0.00 O ATOM 76 NE2 GLN A 5 -19.100 -8.990 5.793 1.00 0.00 N ATOM 0 H GLN A 5 -17.219 -14.166 2.609 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.908 -12.047 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.373 -12.371 4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -16.970 -11.805 5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.071 -9.639 4.417 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.032 -10.175 3.053 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.210 -8.548 6.022 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.950 -8.706 6.280 1.00 0.00 H new ATOM 85 N PRO A 6 -14.692 -10.978 2.434 1.00 0.00 N ATOM 86 CA PRO A 6 -13.376 -10.372 2.503 1.00 0.00 C ATOM 87 C PRO A 6 -13.231 -9.539 3.770 1.00 0.00 C ATOM 88 O PRO A 6 -14.218 -9.089 4.352 1.00 0.00 O ATOM 89 CB PRO A 6 -13.244 -9.546 1.221 1.00 0.00 C ATOM 90 CG PRO A 6 -14.686 -9.138 0.928 1.00 0.00 C ATOM 91 CD PRO A 6 -15.488 -10.351 1.404 1.00 0.00 C ATOM 0 HA PRO A 6 -12.575 -11.109 2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.600 -8.678 1.364 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.816 -10.130 0.406 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.967 -8.232 1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.843 -8.941 -0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.460 -10.047 1.793 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.675 -11.041 0.582 1.00 0.00 H new ATOM 99 N ILE A 7 -11.982 -9.393 4.206 1.00 0.00 N ATOM 100 CA ILE A 7 -11.615 -8.744 5.451 1.00 0.00 C ATOM 101 C ILE A 7 -11.944 -7.269 5.319 1.00 0.00 C ATOM 102 O ILE A 7 -11.101 -6.543 4.824 1.00 0.00 O ATOM 103 CB ILE A 7 -10.131 -9.016 5.790 1.00 0.00 C ATOM 104 CG1 ILE A 7 -9.846 -10.533 5.882 1.00 0.00 C ATOM 105 CG2 ILE A 7 -9.774 -8.325 7.116 1.00 0.00 C ATOM 106 CD1 ILE A 7 -8.357 -10.867 6.016 1.00 0.00 C ATOM 0 H ILE A 7 -11.176 -9.736 3.682 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.181 -9.148 6.290 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.512 -8.611 4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.381 -10.944 6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.242 -11.024 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.728 -8.516 7.356 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.934 -7.251 7.021 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.406 -8.717 7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.231 -11.948 6.075 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.819 -10.486 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.960 -10.405 6.920 1.00 0.00 H new ATOM 118 N ASP A 8 -13.158 -6.865 5.702 1.00 0.00 N ATOM 119 CA ASP A 8 -13.794 -5.543 5.578 1.00 0.00 C ATOM 120 C ASP A 8 -13.230 -4.692 4.439 1.00 0.00 C ATOM 121 O ASP A 8 -12.903 -3.514 4.589 1.00 0.00 O ATOM 122 CB ASP A 8 -13.887 -4.836 6.946 1.00 0.00 C ATOM 123 CG ASP A 8 -15.351 -4.530 7.246 1.00 0.00 C ATOM 124 OD1 ASP A 8 -16.082 -5.506 7.535 1.00 0.00 O ATOM 125 OD2 ASP A 8 -15.791 -3.359 7.165 1.00 0.00 O ATOM 0 H ASP A 8 -13.790 -7.524 6.156 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.825 -5.705 5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.467 -5.470 7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.304 -3.915 6.935 1.00 0.00 H new ATOM 130 N LEU A 9 -13.025 -5.363 3.305 1.00 0.00 N ATOM 131 CA LEU A 9 -12.133 -4.903 2.263 1.00 0.00 C ATOM 132 C LEU A 9 -12.976 -4.204 1.226 1.00 0.00 C ATOM 133 O LEU A 9 -13.931 -4.769 0.688 1.00 0.00 O ATOM 134 CB LEU A 9 -11.350 -6.066 1.651 1.00 0.00 C ATOM 135 CG LEU A 9 -9.902 -5.673 1.322 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.300 -6.813 0.532 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.738 -4.447 0.428 1.00 0.00 C ATOM 0 H LEU A 9 -13.483 -6.249 3.091 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.392 -4.217 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.349 -6.907 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.850 -6.402 0.743 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.433 -5.452 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.268 -6.574 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.324 -7.723 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.874 -6.965 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.678 -4.259 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.231 -4.625 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.188 -3.580 0.913 1.00 0.00 H new ATOM 149 N VAL A 10 -12.627 -2.961 0.959 1.00 0.00 N ATOM 150 CA VAL A 10 -13.541 -2.003 0.361 1.00 0.00 C ATOM 151 C VAL A 10 -12.795 -1.172 -0.675 1.00 0.00 C ATOM 152 O VAL A 10 -11.753 -0.597 -0.357 1.00 0.00 O ATOM 153 CB VAL A 10 -14.310 -1.209 1.435 1.00 0.00 C ATOM 154 CG1 VAL A 10 -15.356 -2.118 2.096 1.00 0.00 C ATOM 155 CG2 VAL A 10 -13.458 -0.583 2.540 1.00 0.00 C ATOM 0 H VAL A 10 -11.699 -2.584 1.151 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.332 -2.515 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.757 -0.377 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.899 -1.555 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.055 -2.477 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.857 -2.968 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.103 -0.050 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.918 -1.367 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.746 0.114 2.099 1.00 0.00 H new ATOM 165 N PRO A 11 -13.241 -1.157 -1.944 1.00 0.00 N ATOM 166 CA PRO A 11 -12.560 -0.384 -2.960 1.00 0.00 C ATOM 167 C PRO A 11 -12.627 1.112 -2.638 1.00 0.00 C ATOM 168 O PRO A 11 -13.490 1.583 -1.882 1.00 0.00 O ATOM 169 CB PRO A 11 -13.218 -0.708 -4.294 1.00 0.00 C ATOM 170 CG PRO A 11 -14.404 -1.618 -3.974 1.00 0.00 C ATOM 171 CD PRO A 11 -14.492 -1.691 -2.453 1.00 0.00 C ATOM 0 HA PRO A 11 -11.501 -0.641 -3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.549 0.201 -4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.516 -1.204 -4.964 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.325 -1.219 -4.398 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.260 -2.610 -4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.339 -1.113 -2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.639 -2.719 -2.121 1.00 0.00 H new ATOM 179 N THR A 12 -11.714 1.860 -3.248 1.00 0.00 N ATOM 180 CA THR A 12 -11.714 3.308 -3.223 1.00 0.00 C ATOM 181 C THR A 12 -11.142 3.825 -4.551 1.00 0.00 C ATOM 182 O THR A 12 -11.027 3.067 -5.525 1.00 0.00 O ATOM 183 CB THR A 12 -11.053 3.795 -1.914 1.00 0.00 C ATOM 184 OG1 THR A 12 -11.314 5.159 -1.699 1.00 0.00 O ATOM 185 CG2 THR A 12 -9.552 3.538 -1.795 1.00 0.00 C ATOM 0 H THR A 12 -10.941 1.464 -3.782 1.00 0.00 H new ATOM 0 HA THR A 12 -12.713 3.742 -3.179 1.00 0.00 H new ATOM 0 HB THR A 12 -11.517 3.183 -1.140 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.888 5.446 -0.864 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.192 3.919 -0.839 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.361 2.467 -1.854 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.031 4.045 -2.607 1.00 0.00 H new ATOM 193 N GLN A 13 -10.872 5.124 -4.634 1.00 0.00 N ATOM 194 CA GLN A 13 -10.475 5.843 -5.835 1.00 0.00 C ATOM 195 C GLN A 13 -9.384 6.845 -5.448 1.00 0.00 C ATOM 196 O GLN A 13 -9.385 7.317 -4.312 1.00 0.00 O ATOM 197 CB GLN A 13 -11.695 6.521 -6.488 1.00 0.00 C ATOM 198 CG GLN A 13 -12.597 7.377 -5.581 1.00 0.00 C ATOM 199 CD GLN A 13 -13.833 6.632 -5.059 1.00 0.00 C ATOM 200 OE1 GLN A 13 -13.783 5.457 -4.702 1.00 0.00 O ATOM 201 NE2 GLN A 13 -14.986 7.279 -5.005 1.00 0.00 N ATOM 0 H GLN A 13 -10.928 5.735 -3.819 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.073 5.158 -6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.335 7.154 -7.299 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.311 5.744 -6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.012 7.731 -4.732 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.922 8.258 -6.134 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.038 8.254 -5.299 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.823 6.802 -4.669 1.00 0.00 H new ATOM 210 N PRO A 14 -8.440 7.181 -6.346 1.00 0.00 N ATOM 211 CA PRO A 14 -7.493 8.248 -6.068 1.00 0.00 C ATOM 212 C PRO A 14 -8.234 9.576 -6.145 1.00 0.00 C ATOM 213 O PRO A 14 -9.188 9.761 -6.915 1.00 0.00 O ATOM 214 CB PRO A 14 -6.415 8.136 -7.150 1.00 0.00 C ATOM 215 CG PRO A 14 -7.195 7.586 -8.350 1.00 0.00 C ATOM 216 CD PRO A 14 -8.352 6.775 -7.745 1.00 0.00 C ATOM 0 HA PRO A 14 -7.040 8.180 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.961 9.102 -7.371 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.609 7.466 -6.850 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.568 8.393 -8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.561 6.959 -8.977 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.286 6.977 -8.269 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.164 5.705 -7.829 1.00 0.00 H new ATOM 224 N LEU A 15 -7.728 10.504 -5.351 1.00 0.00 N ATOM 225 CA LEU A 15 -8.168 11.877 -5.277 1.00 0.00 C ATOM 226 C LEU A 15 -7.916 12.536 -6.630 1.00 0.00 C ATOM 227 O LEU A 15 -7.007 12.131 -7.368 1.00 0.00 O ATOM 228 CB LEU A 15 -7.345 12.576 -4.195 1.00 0.00 C ATOM 229 CG LEU A 15 -7.657 12.238 -2.725 1.00 0.00 C ATOM 230 CD1 LEU A 15 -8.762 13.162 -2.198 1.00 0.00 C ATOM 231 CD2 LEU A 15 -7.991 10.775 -2.404 1.00 0.00 C ATOM 0 H LEU A 15 -6.960 10.305 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.229 11.942 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.294 12.350 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.466 13.651 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.712 12.407 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.977 12.916 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.432 14.199 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.664 13.029 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.190 10.673 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.873 10.471 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.148 10.141 -2.678 1.00 0.00 H new ATOM 243 N PRO A 16 -8.676 13.586 -6.952 1.00 0.00 N ATOM 244 CA PRO A 16 -8.400 14.410 -8.111 1.00 0.00 C ATOM 245 C PRO A 16 -7.061 15.101 -7.877 1.00 0.00 C ATOM 246 O PRO A 16 -6.779 15.518 -6.757 1.00 0.00 O ATOM 247 CB PRO A 16 -9.552 15.410 -8.152 1.00 0.00 C ATOM 248 CG PRO A 16 -9.937 15.570 -6.682 1.00 0.00 C ATOM 249 CD PRO A 16 -9.698 14.186 -6.110 1.00 0.00 C ATOM 0 HA PRO A 16 -8.332 13.863 -9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.245 16.359 -8.592 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.386 15.038 -8.747 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.325 16.323 -6.185 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.976 15.879 -6.569 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.368 14.242 -5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.613 13.594 -6.122 1.00 0.00 H new ATOM 257 N ASN A 17 -6.254 15.268 -8.927 1.00 0.00 N ATOM 258 CA ASN A 17 -5.024 16.067 -8.898 1.00 0.00 C ATOM 259 C ASN A 17 -4.064 15.726 -7.739 1.00 0.00 C ATOM 260 O ASN A 17 -3.209 16.539 -7.397 1.00 0.00 O ATOM 261 CB ASN A 17 -5.324 17.574 -9.091 1.00 0.00 C ATOM 262 CG ASN A 17 -6.542 18.123 -8.363 1.00 0.00 C ATOM 263 OD1 ASN A 17 -7.626 18.177 -8.937 1.00 0.00 O ATOM 264 ND2 ASN A 17 -6.406 18.545 -7.124 1.00 0.00 N ATOM 0 H ASN A 17 -6.439 14.845 -9.837 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.437 15.770 -9.767 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.450 18.140 -8.768 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.450 17.763 -10.157 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.209 18.925 -6.624 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.497 18.492 -6.664 1.00 0.00 H new ATOM 271 N ALA A 18 -4.152 14.515 -7.174 1.00 0.00 N ATOM 272 CA ALA A 18 -3.276 13.995 -6.126 1.00 0.00 C ATOM 273 C ALA A 18 -1.805 14.163 -6.495 1.00 0.00 C ATOM 274 O ALA A 18 -1.455 14.033 -7.671 1.00 0.00 O ATOM 275 CB ALA A 18 -3.576 12.509 -5.949 1.00 0.00 C ATOM 0 H ALA A 18 -4.869 13.844 -7.450 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.460 14.549 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.933 12.098 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.620 12.380 -5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.390 11.986 -6.887 1.00 0.00 H new ATOM 281 N SER A 19 -0.939 14.356 -5.503 1.00 0.00 N ATOM 282 CA SER A 19 0.466 14.662 -5.700 1.00 0.00 C ATOM 283 C SER A 19 1.236 13.974 -4.588 1.00 0.00 C ATOM 284 O SER A 19 0.856 14.056 -3.420 1.00 0.00 O ATOM 285 CB SER A 19 0.709 16.182 -5.729 1.00 0.00 C ATOM 286 OG SER A 19 0.057 16.927 -4.710 1.00 0.00 O ATOM 0 H SER A 19 -1.206 14.302 -4.520 1.00 0.00 H new ATOM 0 HA SER A 19 0.810 14.294 -6.667 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.782 16.362 -5.656 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.387 16.565 -6.697 1.00 0.00 H new ATOM 0 HG SER A 19 -0.339 16.312 -4.057 1.00 0.00 H new ATOM 292 N PHE A 20 2.279 13.235 -4.941 1.00 0.00 N ATOM 293 CA PHE A 20 3.158 12.650 -3.955 1.00 0.00 C ATOM 294 C PHE A 20 3.789 13.780 -3.134 1.00 0.00 C ATOM 295 O PHE A 20 3.784 14.949 -3.529 1.00 0.00 O ATOM 296 CB PHE A 20 4.193 11.769 -4.666 1.00 0.00 C ATOM 297 CG PHE A 20 5.169 11.032 -3.775 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.751 10.378 -2.598 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.528 11.026 -4.125 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.702 9.772 -1.759 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.475 10.437 -3.279 1.00 0.00 C ATOM 302 CZ PHE A 20 7.066 9.823 -2.085 1.00 0.00 C ATOM 0 H PHE A 20 2.532 13.030 -5.908 1.00 0.00 H new ATOM 0 HA PHE A 20 2.616 12.006 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.660 11.035 -5.271 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.762 12.396 -5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.702 10.343 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.845 11.479 -5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.382 9.265 -0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.521 10.455 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.799 9.391 -1.419 1.00 0.00 H new ATOM 312 N ASP A 21 4.306 13.433 -1.970 1.00 0.00 N ATOM 313 CA ASP A 21 4.895 14.333 -0.998 1.00 0.00 C ATOM 314 C ASP A 21 6.028 13.540 -0.354 1.00 0.00 C ATOM 315 O ASP A 21 5.945 12.315 -0.335 1.00 0.00 O ATOM 316 CB ASP A 21 3.808 14.739 0.013 1.00 0.00 C ATOM 317 CG ASP A 21 4.365 15.288 1.330 1.00 0.00 C ATOM 318 OD1 ASP A 21 5.109 16.295 1.296 1.00 0.00 O ATOM 319 OD2 ASP A 21 4.031 14.729 2.401 1.00 0.00 O ATOM 0 H ASP A 21 4.327 12.461 -1.661 1.00 0.00 H new ATOM 0 HA ASP A 21 5.284 15.256 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.165 15.493 -0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.182 13.873 0.227 1.00 0.00 H new ATOM 324 N ASN A 22 7.055 14.202 0.179 1.00 0.00 N ATOM 325 CA ASN A 22 8.336 13.646 0.631 1.00 0.00 C ATOM 326 C ASN A 22 8.234 12.496 1.650 1.00 0.00 C ATOM 327 O ASN A 22 9.274 11.989 2.074 1.00 0.00 O ATOM 328 CB ASN A 22 9.185 14.781 1.255 1.00 0.00 C ATOM 329 CG ASN A 22 10.298 15.337 0.385 1.00 0.00 C ATOM 330 OD1 ASN A 22 10.354 16.530 0.092 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.276 14.527 0.043 1.00 0.00 N ATOM 0 H ASN A 22 7.013 15.212 0.317 1.00 0.00 H new ATOM 0 HA ASN A 22 8.796 13.217 -0.259 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.518 15.600 1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.625 14.411 2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.083 14.888 -0.466 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.228 13.538 0.287 1.00 0.00 H new ATOM 338 N PHE A 23 7.041 12.111 2.114 1.00 0.00 N ATOM 339 CA PHE A 23 6.856 11.067 3.106 1.00 0.00 C ATOM 340 C PHE A 23 7.481 9.762 2.623 1.00 0.00 C ATOM 341 O PHE A 23 7.507 9.453 1.426 1.00 0.00 O ATOM 342 CB PHE A 23 5.370 10.865 3.456 1.00 0.00 C ATOM 343 CG PHE A 23 4.507 10.199 2.397 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.468 8.793 2.280 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.706 10.987 1.549 1.00 0.00 C ATOM 346 CE1 PHE A 23 3.664 8.194 1.297 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.882 10.385 0.583 1.00 0.00 C ATOM 348 CZ PHE A 23 2.871 8.986 0.453 1.00 0.00 C ATOM 0 H PHE A 23 6.165 12.529 1.800 1.00 0.00 H new ATOM 0 HA PHE A 23 7.361 11.383 4.019 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.312 10.269 4.367 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.938 11.839 3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.056 8.179 2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.725 12.063 1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.656 7.119 1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.260 10.994 -0.056 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.251 8.519 -0.298 1.00 0.00 H new ATOM 358 N LYS A 24 7.934 8.950 3.573 1.00 0.00 N ATOM 359 CA LYS A 24 8.524 7.658 3.268 1.00 0.00 C ATOM 360 C LYS A 24 7.848 6.557 4.048 1.00 0.00 C ATOM 361 O LYS A 24 7.410 6.732 5.183 1.00 0.00 O ATOM 362 CB LYS A 24 10.017 7.706 3.547 1.00 0.00 C ATOM 363 CG LYS A 24 10.760 6.496 2.974 1.00 0.00 C ATOM 364 CD LYS A 24 12.061 6.212 3.702 1.00 0.00 C ATOM 365 CE LYS A 24 11.631 5.602 5.017 1.00 0.00 C ATOM 366 NZ LYS A 24 12.228 4.270 5.247 1.00 0.00 N ATOM 0 H LYS A 24 7.901 9.170 4.568 1.00 0.00 H new ATOM 0 HA LYS A 24 8.375 7.436 2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.434 8.619 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.181 7.752 4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.116 5.618 3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.969 6.669 1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.693 5.528 3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.637 7.124 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.913 6.268 5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.544 5.517 5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.409 4.142 6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.572 3.534 4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.123 4.196 4.723 1.00 0.00 H new ATOM 380 N LEU A 25 7.834 5.388 3.437 1.00 0.00 N ATOM 381 CA LEU A 25 7.297 4.172 4.008 1.00 0.00 C ATOM 382 C LEU A 25 8.401 3.438 4.759 1.00 0.00 C ATOM 383 O LEU A 25 9.549 3.405 4.296 1.00 0.00 O ATOM 384 CB LEU A 25 6.662 3.342 2.882 1.00 0.00 C ATOM 385 CG LEU A 25 5.650 4.171 2.056 1.00 0.00 C ATOM 386 CD1 LEU A 25 4.964 3.257 1.048 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.663 4.886 2.978 1.00 0.00 C ATOM 0 H LEU A 25 8.209 5.256 2.498 1.00 0.00 H new ATOM 0 HA LEU A 25 6.514 4.380 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.444 2.964 2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.158 2.475 3.310 1.00 0.00 H new ATOM 0 HG LEU A 25 6.167 4.952 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.249 3.834 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.711 2.822 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.441 2.460 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.959 5.464 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.118 4.150 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.207 5.555 3.645 1.00 0.00 H new ATOM 399 N THR A 26 8.067 2.850 5.904 1.00 0.00 N ATOM 400 CA THR A 26 8.977 2.137 6.783 1.00 0.00 C ATOM 401 C THR A 26 8.381 0.761 7.084 1.00 0.00 C ATOM 402 O THR A 26 7.160 0.587 7.073 1.00 0.00 O ATOM 403 CB THR A 26 9.264 2.961 8.061 1.00 0.00 C ATOM 404 OG1 THR A 26 8.167 3.029 8.937 1.00 0.00 O ATOM 405 CG2 THR A 26 9.660 4.412 7.775 1.00 0.00 C ATOM 0 H THR A 26 7.110 2.860 6.257 1.00 0.00 H new ATOM 0 HA THR A 26 9.942 1.993 6.298 1.00 0.00 H new ATOM 0 HB THR A 26 10.092 2.418 8.517 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.410 3.560 9.724 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.846 4.930 8.716 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.564 4.429 7.166 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.852 4.911 7.240 1.00 0.00 H new ATOM 413 N CYS A 27 9.221 -0.246 7.328 1.00 0.00 N ATOM 414 CA CYS A 27 8.815 -1.540 7.861 1.00 0.00 C ATOM 415 C CYS A 27 10.074 -2.296 8.257 1.00 0.00 C ATOM 416 O CYS A 27 11.178 -1.960 7.821 1.00 0.00 O ATOM 417 CB CYS A 27 7.966 -2.283 6.820 1.00 0.00 C ATOM 418 SG CYS A 27 7.121 -3.745 7.501 1.00 0.00 S ATOM 0 H CYS A 27 10.224 -0.179 7.155 1.00 0.00 H new ATOM 0 HA CYS A 27 8.189 -1.435 8.747 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.223 -1.599 6.411 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.605 -2.592 5.993 1.00 0.00 H new ATOM 0 HG CYS A 27 7.988 -4.510 8.095 1.00 0.00 H new ATOM 424 N SER A 28 9.873 -3.341 9.056 1.00 0.00 N ATOM 425 CA SER A 28 10.806 -4.430 9.310 1.00 0.00 C ATOM 426 C SER A 28 11.431 -4.897 7.999 1.00 0.00 C ATOM 427 O SER A 28 12.627 -4.719 7.765 1.00 0.00 O ATOM 428 CB SER A 28 10.021 -5.535 10.030 1.00 0.00 C ATOM 429 OG SER A 28 8.788 -5.767 9.362 1.00 0.00 O ATOM 0 H SER A 28 9.001 -3.455 9.573 1.00 0.00 H new ATOM 0 HA SER A 28 11.637 -4.118 9.942 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.609 -6.453 10.056 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.835 -5.246 11.064 1.00 0.00 H new ATOM 0 HG SER A 28 8.293 -6.474 9.826 1.00 0.00 H new ATOM 435 N ASN A 29 10.598 -5.450 7.121 1.00 0.00 N ATOM 436 CA ASN A 29 10.957 -5.820 5.784 1.00 0.00 C ATOM 437 C ASN A 29 11.247 -4.559 4.989 1.00 0.00 C ATOM 438 O ASN A 29 10.310 -3.880 4.552 1.00 0.00 O ATOM 439 CB ASN A 29 9.813 -6.654 5.200 1.00 0.00 C ATOM 440 CG ASN A 29 10.283 -8.074 5.059 1.00 0.00 C ATOM 441 OD1 ASN A 29 10.783 -8.717 5.978 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.243 -8.568 3.858 1.00 0.00 N ATOM 0 H ASN A 29 9.624 -5.654 7.344 1.00 0.00 H new ATOM 0 HA ASN A 29 11.860 -6.429 5.752 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.939 -6.607 5.850 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.511 -6.257 4.231 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.628 -9.495 3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.826 -8.029 3.099 1.00 0.00 H new ATOM 449 N THR A 30 12.530 -4.229 4.825 1.00 0.00 N ATOM 450 CA THR A 30 12.935 -3.062 4.061 1.00 0.00 C ATOM 451 C THR A 30 12.465 -3.206 2.621 1.00 0.00 C ATOM 452 O THR A 30 11.735 -2.335 2.176 1.00 0.00 O ATOM 453 CB THR A 30 14.446 -2.809 4.153 1.00 0.00 C ATOM 454 OG1 THR A 30 15.147 -4.012 3.940 1.00 0.00 O ATOM 455 CG2 THR A 30 14.826 -2.252 5.525 1.00 0.00 C ATOM 0 H THR A 30 13.306 -4.762 5.217 1.00 0.00 H new ATOM 0 HA THR A 30 12.459 -2.182 4.494 1.00 0.00 H new ATOM 0 HB THR A 30 14.712 -2.079 3.388 1.00 0.00 H new ATOM 0 HG1 THR A 30 16.111 -3.844 3.998 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.902 -2.082 5.563 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.303 -1.310 5.693 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.544 -2.966 6.299 1.00 0.00 H new ATOM 463 N LYS A 31 12.807 -4.303 1.923 1.00 0.00 N ATOM 464 CA LYS A 31 12.565 -4.479 0.482 1.00 0.00 C ATOM 465 C LYS A 31 11.165 -4.047 0.084 1.00 0.00 C ATOM 466 O LYS A 31 11.034 -3.303 -0.882 1.00 0.00 O ATOM 467 CB LYS A 31 12.815 -5.926 0.022 1.00 0.00 C ATOM 468 CG LYS A 31 12.360 -6.229 -1.433 1.00 0.00 C ATOM 469 CD LYS A 31 13.081 -5.404 -2.511 1.00 0.00 C ATOM 470 CE LYS A 31 14.534 -5.830 -2.741 1.00 0.00 C ATOM 471 NZ LYS A 31 14.637 -7.062 -3.553 1.00 0.00 N ATOM 0 H LYS A 31 13.267 -5.105 2.353 1.00 0.00 H new ATOM 0 HA LYS A 31 13.283 -3.832 -0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.880 -6.142 0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.296 -6.604 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.519 -7.288 -1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.288 -6.047 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.533 -5.490 -3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.061 -4.352 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.072 -5.023 -3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.020 -5.990 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.639 -7.310 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.147 -7.840 -3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.198 -6.903 -4.482 1.00 0.00 H new ATOM 485 N PHE A 32 10.133 -4.528 0.784 1.00 0.00 N ATOM 486 CA PHE A 32 8.779 -4.116 0.449 1.00 0.00 C ATOM 487 C PHE A 32 8.644 -2.592 0.505 1.00 0.00 C ATOM 488 O PHE A 32 8.320 -1.986 -0.514 1.00 0.00 O ATOM 489 CB PHE A 32 7.773 -4.766 1.389 1.00 0.00 C ATOM 490 CG PHE A 32 6.326 -4.523 1.016 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.906 -4.816 -0.289 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.372 -4.125 1.973 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.554 -4.720 -0.631 1.00 0.00 C ATOM 494 CE2 PHE A 32 4.017 -4.008 1.620 1.00 0.00 C ATOM 495 CZ PHE A 32 3.602 -4.317 0.316 1.00 0.00 C ATOM 0 H PHE A 32 10.210 -5.183 1.562 1.00 0.00 H new ATOM 0 HA PHE A 32 8.569 -4.444 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.955 -5.840 1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.943 -4.393 2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.629 -5.117 -1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.684 -3.909 2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.239 -4.959 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.295 -3.680 2.353 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.559 -4.245 0.044 1.00 0.00 H new ATOM 505 N ALA A 33 8.913 -1.969 1.661 1.00 0.00 N ATOM 506 CA ALA A 33 8.754 -0.524 1.808 1.00 0.00 C ATOM 507 C ALA A 33 9.639 0.227 0.801 1.00 0.00 C ATOM 508 O ALA A 33 9.250 1.243 0.244 1.00 0.00 O ATOM 509 CB ALA A 33 9.099 -0.119 3.247 1.00 0.00 C ATOM 0 H ALA A 33 9.240 -2.445 2.502 1.00 0.00 H new ATOM 0 HA ALA A 33 7.718 -0.255 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.981 0.959 3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.431 -0.631 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.130 -0.396 3.466 1.00 0.00 H new ATOM 515 N ASP A 34 10.848 -0.274 0.589 1.00 0.00 N ATOM 516 CA ASP A 34 11.931 0.278 -0.219 1.00 0.00 C ATOM 517 C ASP A 34 11.573 0.294 -1.705 1.00 0.00 C ATOM 518 O ASP A 34 11.887 1.259 -2.400 1.00 0.00 O ATOM 519 CB ASP A 34 13.172 -0.596 0.031 1.00 0.00 C ATOM 520 CG ASP A 34 14.370 -0.203 -0.821 1.00 0.00 C ATOM 521 OD1 ASP A 34 15.072 0.748 -0.406 1.00 0.00 O ATOM 522 OD2 ASP A 34 14.652 -0.912 -1.819 1.00 0.00 O ATOM 0 H ASP A 34 11.122 -1.158 1.017 1.00 0.00 H new ATOM 0 HA ASP A 34 12.119 1.314 0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.447 -0.531 1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.920 -1.638 -0.168 1.00 0.00 H new ATOM 527 N ASP A 35 10.910 -0.757 -2.190 1.00 0.00 N ATOM 528 CA ASP A 35 10.423 -0.853 -3.562 1.00 0.00 C ATOM 529 C ASP A 35 9.166 -0.012 -3.767 1.00 0.00 C ATOM 530 O ASP A 35 9.052 0.686 -4.773 1.00 0.00 O ATOM 531 CB ASP A 35 10.194 -2.304 -3.961 1.00 0.00 C ATOM 532 CG ASP A 35 10.333 -2.438 -5.480 1.00 0.00 C ATOM 533 OD1 ASP A 35 11.490 -2.337 -5.946 1.00 0.00 O ATOM 534 OD2 ASP A 35 9.342 -2.684 -6.205 1.00 0.00 O ATOM 0 H ASP A 35 10.694 -1.580 -1.627 1.00 0.00 H new ATOM 0 HA ASP A 35 11.194 -0.448 -4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.915 -2.949 -3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.203 -2.628 -3.645 1.00 0.00 H new ATOM 539 N LEU A 36 8.271 0.015 -2.772 1.00 0.00 N ATOM 540 CA LEU A 36 7.120 0.917 -2.802 1.00 0.00 C ATOM 541 C LEU A 36 7.580 2.374 -2.877 1.00 0.00 C ATOM 542 O LEU A 36 7.057 3.129 -3.695 1.00 0.00 O ATOM 543 CB LEU A 36 6.205 0.716 -1.582 1.00 0.00 C ATOM 544 CG LEU A 36 5.434 -0.615 -1.529 1.00 0.00 C ATOM 545 CD1 LEU A 36 4.539 -0.631 -0.284 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.586 -0.857 -2.778 1.00 0.00 C ATOM 0 H LEU A 36 8.323 -0.575 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 36 6.544 0.677 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.812 0.798 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.483 1.532 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 36 6.169 -1.418 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.991 -1.572 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.156 -0.530 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.833 0.198 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.065 -1.810 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.857 -0.054 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.231 -0.880 -3.657 1.00 0.00 H new ATOM 558 N ASN A 37 8.590 2.751 -2.083 1.00 0.00 N ATOM 559 CA ASN A 37 9.161 4.092 -2.081 1.00 0.00 C ATOM 560 C ASN A 37 9.744 4.453 -3.456 1.00 0.00 C ATOM 561 O ASN A 37 9.645 5.604 -3.892 1.00 0.00 O ATOM 562 CB ASN A 37 10.237 4.180 -0.987 1.00 0.00 C ATOM 563 CG ASN A 37 9.674 4.466 0.401 1.00 0.00 C ATOM 564 OD1 ASN A 37 8.964 5.443 0.626 1.00 0.00 O ATOM 565 ND2 ASN A 37 9.999 3.631 1.374 1.00 0.00 N ATOM 0 H ASN A 37 9.035 2.120 -1.417 1.00 0.00 H new ATOM 0 HA ASN A 37 8.371 4.813 -1.869 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.792 3.242 -0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.948 4.963 -1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.660 3.795 2.322 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.589 2.823 1.177 1.00 0.00 H new ATOM 572 N GLN A 38 10.322 3.477 -4.161 1.00 0.00 N ATOM 573 CA GLN A 38 10.870 3.625 -5.502 1.00 0.00 C ATOM 574 C GLN A 38 9.763 3.955 -6.502 1.00 0.00 C ATOM 575 O GLN A 38 9.925 4.862 -7.322 1.00 0.00 O ATOM 576 CB GLN A 38 11.570 2.307 -5.880 1.00 0.00 C ATOM 577 CG GLN A 38 13.089 2.386 -5.782 1.00 0.00 C ATOM 578 CD GLN A 38 13.745 2.709 -7.114 1.00 0.00 C ATOM 579 OE1 GLN A 38 13.902 3.876 -7.465 1.00 0.00 O ATOM 580 NE2 GLN A 38 14.139 1.704 -7.876 1.00 0.00 N ATOM 0 H GLN A 38 10.422 2.530 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 38 11.586 4.447 -5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.211 1.512 -5.227 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.291 2.034 -6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.363 3.148 -5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.475 1.436 -5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.999 0.743 -7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.583 1.889 -8.775 1.00 0.00 H new ATOM 589 N MET A 39 8.633 3.252 -6.407 1.00 0.00 N ATOM 590 CA MET A 39 7.513 3.383 -7.328 1.00 0.00 C ATOM 591 C MET A 39 6.863 4.770 -7.295 1.00 0.00 C ATOM 592 O MET A 39 6.138 5.096 -8.238 1.00 0.00 O ATOM 593 CB MET A 39 6.460 2.320 -6.991 1.00 0.00 C ATOM 594 CG MET A 39 6.940 0.897 -7.295 1.00 0.00 C ATOM 595 SD MET A 39 6.051 -0.463 -6.471 1.00 0.00 S ATOM 596 CE MET A 39 4.345 0.145 -6.400 1.00 0.00 C ATOM 0 H MET A 39 8.472 2.563 -5.672 1.00 0.00 H new ATOM 0 HA MET A 39 7.906 3.242 -8.335 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.200 2.394 -5.935 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.551 2.522 -7.558 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.878 0.740 -8.372 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.993 0.828 -7.023 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.100 0.424 -5.375 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.242 1.016 -7.047 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.665 -0.638 -6.735 1.00 0.00 H new ATOM 606 N THR A 40 7.092 5.568 -6.247 1.00 0.00 N ATOM 607 CA THR A 40 6.446 6.863 -6.066 1.00 0.00 C ATOM 608 C THR A 40 7.422 8.028 -6.256 1.00 0.00 C ATOM 609 O THR A 40 6.957 9.105 -6.630 1.00 0.00 O ATOM 610 CB THR A 40 5.701 6.877 -4.719 1.00 0.00 C ATOM 611 OG1 THR A 40 4.926 8.042 -4.541 1.00 0.00 O ATOM 612 CG2 THR A 40 6.612 6.646 -3.512 1.00 0.00 C ATOM 0 H THR A 40 7.738 5.327 -5.496 1.00 0.00 H new ATOM 0 HA THR A 40 5.702 7.011 -6.849 1.00 0.00 H new ATOM 0 HB THR A 40 5.023 6.025 -4.770 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.285 8.563 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.018 6.669 -2.598 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.099 5.675 -3.604 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.369 7.429 -3.473 1.00 0.00 H new ATOM 620 N GLY A 41 8.736 7.840 -6.076 1.00 0.00 N ATOM 621 CA GLY A 41 9.725 8.894 -6.314 1.00 0.00 C ATOM 622 C GLY A 41 10.553 9.299 -5.097 1.00 0.00 C ATOM 623 O GLY A 41 11.307 10.273 -5.191 1.00 0.00 O ATOM 0 H GLY A 41 9.140 6.957 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.403 8.562 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.208 9.776 -6.691 1.00 0.00 H new ATOM 627 N PHE A 42 10.407 8.598 -3.965 1.00 0.00 N ATOM 628 CA PHE A 42 10.889 9.056 -2.670 1.00 0.00 C ATOM 629 C PHE A 42 12.367 9.446 -2.706 1.00 0.00 C ATOM 630 O PHE A 42 13.229 8.646 -3.095 1.00 0.00 O ATOM 631 CB PHE A 42 10.643 7.998 -1.588 1.00 0.00 C ATOM 632 CG PHE A 42 11.431 8.280 -0.323 1.00 0.00 C ATOM 633 CD1 PHE A 42 11.267 9.501 0.359 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.403 7.362 0.121 1.00 0.00 C ATOM 635 CE1 PHE A 42 12.122 9.828 1.418 1.00 0.00 C ATOM 636 CE2 PHE A 42 13.178 7.649 1.255 1.00 0.00 C ATOM 637 CZ PHE A 42 13.070 8.900 1.876 1.00 0.00 C ATOM 0 H PHE A 42 9.945 7.689 -3.930 1.00 0.00 H new ATOM 0 HA PHE A 42 10.321 9.953 -2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.580 7.963 -1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.917 7.016 -1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.483 10.184 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.552 6.435 -0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.052 10.799 1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.857 6.907 1.648 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.715 9.150 2.705 1.00 0.00 H new ATOM 647 N THR A 43 12.656 10.649 -2.214 1.00 0.00 N ATOM 648 CA THR A 43 13.986 11.125 -1.913 1.00 0.00 C ATOM 649 C THR A 43 13.936 11.775 -0.529 1.00 0.00 C ATOM 650 O THR A 43 12.952 12.411 -0.162 1.00 0.00 O ATOM 651 CB THR A 43 14.397 12.077 -3.046 1.00 0.00 C ATOM 652 OG1 THR A 43 14.196 11.473 -4.316 1.00 0.00 O ATOM 653 CG2 THR A 43 15.870 12.449 -2.951 1.00 0.00 C ATOM 0 H THR A 43 11.934 11.340 -2.009 1.00 0.00 H new ATOM 0 HA THR A 43 14.740 10.339 -1.867 1.00 0.00 H new ATOM 0 HB THR A 43 13.776 12.967 -2.942 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.463 12.098 -5.022 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.128 13.124 -3.767 1.00 0.00 H new ATOM 0 HG22 THR A 43 16.060 12.943 -1.998 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.478 11.547 -3.019 1.00 0.00 H new ATOM 661 N LYS A 44 14.971 11.579 0.283 1.00 0.00 N ATOM 662 CA LYS A 44 15.139 12.242 1.569 1.00 0.00 C ATOM 663 C LYS A 44 15.380 13.752 1.423 1.00 0.00 C ATOM 664 O LYS A 44 15.775 14.207 0.348 1.00 0.00 O ATOM 665 CB LYS A 44 16.326 11.596 2.304 1.00 0.00 C ATOM 666 CG LYS A 44 15.919 10.568 3.367 1.00 0.00 C ATOM 667 CD LYS A 44 16.855 10.702 4.572 1.00 0.00 C ATOM 668 CE LYS A 44 16.725 9.572 5.595 1.00 0.00 C ATOM 669 NZ LYS A 44 15.905 9.950 6.759 1.00 0.00 N ATOM 0 H LYS A 44 15.733 10.939 0.058 1.00 0.00 H new ATOM 0 HA LYS A 44 14.216 12.120 2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.972 11.110 1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.916 12.380 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.886 10.731 3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.975 9.560 2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.885 10.738 4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.656 11.652 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.284 8.700 5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.718 9.279 5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.850 9.149 7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.338 10.765 7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.948 10.203 6.442 1.00 0.00 H new ATOM 683 N PRO A 45 15.265 14.505 2.531 1.00 0.00 N ATOM 684 CA PRO A 45 14.797 14.012 3.817 1.00 0.00 C ATOM 685 C PRO A 45 13.314 13.691 3.751 1.00 0.00 C ATOM 686 O PRO A 45 12.542 14.473 3.200 1.00 0.00 O ATOM 687 CB PRO A 45 15.031 15.132 4.818 1.00 0.00 C ATOM 688 CG PRO A 45 16.056 16.029 4.139 1.00 0.00 C ATOM 689 CD PRO A 45 15.689 15.884 2.666 1.00 0.00 C ATOM 0 HA PRO A 45 15.325 13.101 4.101 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.109 15.672 5.034 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.405 14.747 5.767 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.980 17.062 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 45 17.077 15.703 4.338 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.892 16.573 2.386 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.541 16.102 2.022 1.00 0.00 H new ATOM 697 N ALA A 46 12.914 12.532 4.283 1.00 0.00 N ATOM 698 CA ALA A 46 11.500 12.241 4.301 1.00 0.00 C ATOM 699 C ALA A 46 10.863 13.089 5.403 1.00 0.00 C ATOM 700 O ALA A 46 11.279 12.946 6.559 1.00 0.00 O ATOM 701 CB ALA A 46 11.206 10.760 4.528 1.00 0.00 C ATOM 0 H ALA A 46 13.523 11.820 4.685 1.00 0.00 H new ATOM 0 HA ALA A 46 11.078 12.485 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.128 10.600 4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.657 10.173 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.623 10.449 5.486 1.00 0.00 H new ATOM 707 N SER A 47 9.894 13.952 5.103 1.00 0.00 N ATOM 708 CA SER A 47 9.361 14.867 6.115 1.00 0.00 C ATOM 709 C SER A 47 8.631 14.100 7.221 1.00 0.00 C ATOM 710 O SER A 47 8.739 14.452 8.396 1.00 0.00 O ATOM 711 CB SER A 47 8.440 15.938 5.511 1.00 0.00 C ATOM 712 OG SER A 47 8.566 16.030 4.104 1.00 0.00 O ATOM 0 H SER A 47 9.466 14.038 4.181 1.00 0.00 H new ATOM 0 HA SER A 47 10.217 15.382 6.550 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.405 15.709 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.671 16.905 5.957 1.00 0.00 H new ATOM 0 HG SER A 47 7.960 16.722 3.766 1.00 0.00 H new ATOM 718 N ARG A 48 7.929 13.023 6.860 1.00 0.00 N ATOM 719 CA ARG A 48 7.244 12.124 7.781 1.00 0.00 C ATOM 720 C ARG A 48 7.430 10.678 7.322 1.00 0.00 C ATOM 721 O ARG A 48 7.867 10.415 6.196 1.00 0.00 O ATOM 722 CB ARG A 48 5.760 12.526 7.927 1.00 0.00 C ATOM 723 CG ARG A 48 5.003 12.768 6.602 1.00 0.00 C ATOM 724 CD ARG A 48 3.654 12.049 6.438 1.00 0.00 C ATOM 725 NE ARG A 48 2.779 12.148 7.616 1.00 0.00 N ATOM 726 CZ ARG A 48 2.033 13.186 8.014 1.00 0.00 C ATOM 727 NH1 ARG A 48 1.981 14.315 7.307 1.00 0.00 N ATOM 728 NH2 ARG A 48 1.351 13.080 9.148 1.00 0.00 N ATOM 0 H ARG A 48 7.821 12.747 5.884 1.00 0.00 H new ATOM 0 HA ARG A 48 7.683 12.206 8.775 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.243 11.744 8.483 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.705 13.434 8.528 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.833 13.840 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.652 12.467 5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.134 12.465 5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.838 10.997 6.222 1.00 0.00 H new ATOM 0 HE ARG A 48 2.735 11.318 8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.517 14.401 6.443 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.406 15.093 7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.402 12.221 9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.776 13.858 9.472 1.00 0.00 H new ATOM 742 N GLU A 49 7.099 9.732 8.196 1.00 0.00 N ATOM 743 CA GLU A 49 7.378 8.308 8.033 1.00 0.00 C ATOM 744 C GLU A 49 6.122 7.511 8.408 1.00 0.00 C ATOM 745 O GLU A 49 5.459 7.843 9.394 1.00 0.00 O ATOM 746 CB GLU A 49 8.586 7.923 8.908 1.00 0.00 C ATOM 747 CG GLU A 49 9.925 8.227 8.206 1.00 0.00 C ATOM 748 CD GLU A 49 11.152 8.015 9.102 1.00 0.00 C ATOM 749 OE1 GLU A 49 11.067 8.063 10.352 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.265 7.803 8.557 1.00 0.00 O ATOM 0 H GLU A 49 6.612 9.943 9.067 1.00 0.00 H new ATOM 0 HA GLU A 49 7.631 8.078 6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.539 8.467 9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.536 6.861 9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.016 7.592 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.916 9.259 7.856 1.00 0.00 H new ATOM 757 N LEU A 50 5.764 6.494 7.619 1.00 0.00 N ATOM 758 CA LEU A 50 4.537 5.712 7.752 1.00 0.00 C ATOM 759 C LEU A 50 4.919 4.247 7.724 1.00 0.00 C ATOM 760 O LEU A 50 5.566 3.810 6.774 1.00 0.00 O ATOM 761 CB LEU A 50 3.565 6.010 6.599 1.00 0.00 C ATOM 762 CG LEU A 50 3.056 7.456 6.559 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.465 7.751 5.179 1.00 0.00 C ATOM 764 CD2 LEU A 50 1.995 7.701 7.628 1.00 0.00 C ATOM 0 H LEU A 50 6.345 6.183 6.841 1.00 0.00 H new ATOM 0 HA LEU A 50 4.038 5.971 8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.061 5.786 5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.710 5.338 6.678 1.00 0.00 H new ATOM 0 HG LEU A 50 3.899 8.119 6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.103 8.779 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.233 7.615 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.637 7.069 4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.655 8.735 7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.150 7.032 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.421 7.511 8.613 1.00 0.00 H new ATOM 776 N SER A 51 4.495 3.472 8.711 1.00 0.00 N ATOM 777 CA SER A 51 4.886 2.075 8.853 1.00 0.00 C ATOM 778 C SER A 51 3.888 1.093 8.233 1.00 0.00 C ATOM 779 O SER A 51 2.746 1.480 7.947 1.00 0.00 O ATOM 780 CB SER A 51 5.162 1.798 10.325 1.00 0.00 C ATOM 781 OG SER A 51 4.027 1.928 11.161 1.00 0.00 O ATOM 0 H SER A 51 3.864 3.797 9.443 1.00 0.00 H new ATOM 0 HA SER A 51 5.798 1.908 8.280 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.560 0.788 10.425 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.936 2.482 10.673 1.00 0.00 H new ATOM 0 HG SER A 51 4.280 1.734 12.088 1.00 0.00 H new ATOM 787 N VAL A 52 4.315 -0.160 8.012 1.00 0.00 N ATOM 788 CA VAL A 52 3.474 -1.223 7.464 1.00 0.00 C ATOM 789 C VAL A 52 3.282 -2.332 8.509 1.00 0.00 C ATOM 790 O VAL A 52 4.185 -2.622 9.299 1.00 0.00 O ATOM 791 CB VAL A 52 4.135 -1.743 6.172 1.00 0.00 C ATOM 792 CG1 VAL A 52 3.406 -2.943 5.543 1.00 0.00 C ATOM 793 CG2 VAL A 52 4.248 -0.631 5.124 1.00 0.00 C ATOM 0 H VAL A 52 5.268 -0.462 8.213 1.00 0.00 H new ATOM 0 HA VAL A 52 2.481 -0.847 7.219 1.00 0.00 H new ATOM 0 HB VAL A 52 5.125 -2.081 6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.929 -3.253 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.387 -3.770 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.385 -2.657 5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.718 -1.026 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.253 -0.258 4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.854 0.183 5.522 1.00 0.00 H new ATOM 803 N THR A 53 2.141 -3.016 8.466 1.00 0.00 N ATOM 804 CA THR A 53 1.816 -4.225 9.219 1.00 0.00 C ATOM 805 C THR A 53 1.061 -5.182 8.292 1.00 0.00 C ATOM 806 O THR A 53 0.231 -4.743 7.494 1.00 0.00 O ATOM 807 CB THR A 53 1.037 -3.844 10.480 1.00 0.00 C ATOM 808 OG1 THR A 53 0.028 -2.875 10.269 1.00 0.00 O ATOM 809 CG2 THR A 53 1.988 -3.310 11.557 1.00 0.00 C ATOM 0 H THR A 53 1.370 -2.722 7.866 1.00 0.00 H new ATOM 0 HA THR A 53 2.712 -4.744 9.560 1.00 0.00 H new ATOM 0 HB THR A 53 0.548 -4.765 10.798 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.229 -2.871 9.323 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.417 -3.044 12.447 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.718 -4.078 11.811 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.505 -2.428 11.180 1.00 0.00 H new ATOM 817 N PHE A 54 1.401 -6.471 8.353 1.00 0.00 N ATOM 818 CA PHE A 54 0.958 -7.514 7.434 1.00 0.00 C ATOM 819 C PHE A 54 -0.076 -8.392 8.118 1.00 0.00 C ATOM 820 O PHE A 54 0.268 -9.021 9.122 1.00 0.00 O ATOM 821 CB PHE A 54 2.164 -8.376 7.049 1.00 0.00 C ATOM 822 CG PHE A 54 3.210 -7.650 6.238 1.00 0.00 C ATOM 823 CD1 PHE A 54 2.897 -7.272 4.924 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.486 -7.377 6.770 1.00 0.00 C ATOM 825 CE1 PHE A 54 3.880 -6.694 4.111 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.476 -6.820 5.943 1.00 0.00 C ATOM 827 CZ PHE A 54 5.178 -6.502 4.607 1.00 0.00 C ATOM 0 H PHE A 54 2.021 -6.830 9.079 1.00 0.00 H new ATOM 0 HA PHE A 54 0.519 -7.058 6.547 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.627 -8.760 7.958 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.814 -9.238 6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.900 -7.426 4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.701 -7.594 7.806 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.639 -6.396 3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.466 -6.636 6.334 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.949 -6.109 3.961 1.00 0.00 H new ATOM 837 N PHE A 55 -1.316 -8.439 7.605 1.00 0.00 N ATOM 838 CA PHE A 55 -2.402 -9.063 8.342 1.00 0.00 C ATOM 839 C PHE A 55 -2.038 -10.515 8.722 1.00 0.00 C ATOM 840 O PHE A 55 -1.402 -11.202 7.917 1.00 0.00 O ATOM 841 CB PHE A 55 -3.712 -9.017 7.526 1.00 0.00 C ATOM 842 CG PHE A 55 -4.885 -8.360 8.235 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.939 -6.960 8.389 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.938 -9.147 8.739 1.00 0.00 C ATOM 845 CE1 PHE A 55 -6.038 -6.355 9.022 1.00 0.00 C ATOM 846 CE2 PHE A 55 -7.026 -8.542 9.390 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.083 -7.146 9.528 1.00 0.00 C ATOM 0 H PHE A 55 -1.579 -8.056 6.697 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.559 -8.502 9.263 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.524 -8.483 6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.992 -10.036 7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.130 -6.348 8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.909 -10.221 8.625 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.079 -5.280 9.120 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.823 -9.154 9.786 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.925 -6.683 10.020 1.00 0.00 H new ATOM 857 N PRO A 56 -2.594 -11.056 9.817 1.00 0.00 N ATOM 858 CA PRO A 56 -3.194 -10.304 10.905 1.00 0.00 C ATOM 859 C PRO A 56 -2.127 -9.548 11.720 1.00 0.00 C ATOM 860 O PRO A 56 -1.404 -10.129 12.528 1.00 0.00 O ATOM 861 CB PRO A 56 -3.940 -11.354 11.731 1.00 0.00 C ATOM 862 CG PRO A 56 -3.107 -12.626 11.554 1.00 0.00 C ATOM 863 CD PRO A 56 -2.439 -12.455 10.188 1.00 0.00 C ATOM 0 HA PRO A 56 -3.870 -9.524 10.555 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.007 -11.063 12.779 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.960 -11.492 11.373 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.367 -12.731 12.348 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.733 -13.518 11.582 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.385 -12.728 10.236 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.903 -13.105 9.447 1.00 0.00 H new ATOM 871 N ASP A 57 -2.041 -8.242 11.497 1.00 0.00 N ATOM 872 CA ASP A 57 -1.207 -7.235 12.134 1.00 0.00 C ATOM 873 C ASP A 57 -1.775 -5.927 11.595 1.00 0.00 C ATOM 874 O ASP A 57 -1.916 -5.800 10.377 1.00 0.00 O ATOM 875 CB ASP A 57 0.256 -7.319 11.683 1.00 0.00 C ATOM 876 CG ASP A 57 1.170 -6.399 12.471 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.677 -5.585 13.281 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.388 -6.506 12.209 1.00 0.00 O ATOM 0 H ASP A 57 -2.626 -7.815 10.778 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.215 -7.346 13.218 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.605 -8.346 11.788 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.320 -7.067 10.624 1.00 0.00 H new ATOM 883 N LEU A 58 -2.204 -5.005 12.452 1.00 0.00 N ATOM 884 CA LEU A 58 -2.864 -3.776 12.041 1.00 0.00 C ATOM 885 C LEU A 58 -2.566 -2.687 13.070 1.00 0.00 C ATOM 886 O LEU A 58 -3.478 -2.053 13.607 1.00 0.00 O ATOM 887 CB LEU A 58 -4.363 -4.031 11.801 1.00 0.00 C ATOM 888 CG LEU A 58 -5.082 -4.823 12.915 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.539 -4.383 12.970 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.045 -6.346 12.683 1.00 0.00 C ATOM 0 H LEU A 58 -2.100 -5.094 13.463 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.476 -3.421 11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.864 -3.070 11.679 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.477 -4.571 10.861 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.560 -4.614 13.849 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.057 -4.936 13.754 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.589 -3.316 13.186 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.016 -4.582 12.010 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.565 -6.851 13.497 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.534 -6.582 11.738 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.009 -6.684 12.650 1.00 0.00 H new ATOM 902 N ASN A 59 -1.276 -2.510 13.366 1.00 0.00 N ATOM 903 CA ASN A 59 -0.729 -1.528 14.293 1.00 0.00 C ATOM 904 C ASN A 59 0.088 -0.461 13.564 1.00 0.00 C ATOM 905 O ASN A 59 0.484 0.527 14.186 1.00 0.00 O ATOM 906 CB ASN A 59 0.205 -2.234 15.279 1.00 0.00 C ATOM 907 CG ASN A 59 -0.478 -3.340 16.056 1.00 0.00 C ATOM 908 OD1 ASN A 59 -1.033 -3.132 17.133 1.00 0.00 O ATOM 909 ND2 ASN A 59 -0.454 -4.547 15.534 1.00 0.00 N ATOM 0 H ASN A 59 -0.548 -3.083 12.939 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.566 -1.052 14.803 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.052 -2.651 14.733 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.606 -1.501 15.979 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.899 -5.323 16.024 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.010 -4.707 14.640 1.00 0.00 H new ATOM 916 N GLY A 60 0.386 -0.684 12.283 1.00 0.00 N ATOM 917 CA GLY A 60 1.083 0.253 11.412 1.00 0.00 C ATOM 918 C GLY A 60 0.140 1.329 10.894 1.00 0.00 C ATOM 919 O GLY A 60 -1.083 1.152 10.908 1.00 0.00 O ATOM 0 H GLY A 60 0.138 -1.553 11.811 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.905 0.718 11.957 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.522 -0.285 10.572 1.00 0.00 H new ATOM 923 N ASP A 61 0.715 2.441 10.427 1.00 0.00 N ATOM 924 CA ASP A 61 -0.081 3.575 9.949 1.00 0.00 C ATOM 925 C ASP A 61 -0.793 3.200 8.654 1.00 0.00 C ATOM 926 O ASP A 61 -1.920 3.640 8.414 1.00 0.00 O ATOM 927 CB ASP A 61 0.745 4.860 9.765 1.00 0.00 C ATOM 928 CG ASP A 61 0.578 5.805 10.961 1.00 0.00 C ATOM 929 OD1 ASP A 61 -0.522 6.391 11.134 1.00 0.00 O ATOM 930 OD2 ASP A 61 1.546 5.953 11.738 1.00 0.00 O ATOM 0 H ASP A 61 1.724 2.580 10.370 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.817 3.797 10.721 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.798 4.604 9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.434 5.367 8.852 1.00 0.00 H new ATOM 935 N VAL A 62 -0.165 2.338 7.857 1.00 0.00 N ATOM 936 CA VAL A 62 -0.740 1.704 6.686 1.00 0.00 C ATOM 937 C VAL A 62 -0.656 0.204 6.965 1.00 0.00 C ATOM 938 O VAL A 62 0.239 -0.262 7.671 1.00 0.00 O ATOM 939 CB VAL A 62 0.028 2.140 5.416 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.654 1.763 4.085 1.00 0.00 C ATOM 941 CG2 VAL A 62 0.278 3.661 5.366 1.00 0.00 C ATOM 0 H VAL A 62 0.801 2.054 8.022 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.775 1.991 6.502 1.00 0.00 H new ATOM 0 HB VAL A 62 0.963 1.586 5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.042 2.109 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.766 0.680 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.636 2.232 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.820 3.911 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.677 4.187 5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.867 3.962 6.232 1.00 0.00 H new ATOM 951 N VAL A 63 -1.588 -0.570 6.423 1.00 0.00 N ATOM 952 CA VAL A 63 -1.675 -2.001 6.679 1.00 0.00 C ATOM 953 C VAL A 63 -1.576 -2.709 5.314 1.00 0.00 C ATOM 954 O VAL A 63 -1.484 -2.048 4.272 1.00 0.00 O ATOM 955 CB VAL A 63 -2.939 -2.273 7.537 1.00 0.00 C ATOM 956 CG1 VAL A 63 -2.938 -3.679 8.152 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.087 -1.300 8.728 1.00 0.00 C ATOM 0 H VAL A 63 -2.308 -0.220 5.791 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.862 -2.411 7.278 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.760 -2.146 6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.844 -3.818 8.742 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.905 -4.424 7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.065 -3.795 8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.990 -1.544 9.287 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.220 -1.391 9.382 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.156 -0.278 8.356 1.00 0.00 H new ATOM 967 N ALA A 64 -1.501 -4.038 5.291 1.00 0.00 N ATOM 968 CA ALA A 64 -1.403 -4.851 4.092 1.00 0.00 C ATOM 969 C ALA A 64 -2.327 -6.057 4.216 1.00 0.00 C ATOM 970 O ALA A 64 -2.417 -6.674 5.281 1.00 0.00 O ATOM 971 CB ALA A 64 0.049 -5.287 3.902 1.00 0.00 C ATOM 0 H ALA A 64 -1.508 -4.596 6.145 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.711 -4.275 3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.131 -5.898 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.683 -4.406 3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.370 -5.868 4.766 1.00 0.00 H new ATOM 977 N ILE A 65 -2.961 -6.414 3.101 1.00 0.00 N ATOM 978 CA ILE A 65 -3.777 -7.598 2.917 1.00 0.00 C ATOM 979 C ILE A 65 -2.999 -8.485 1.947 1.00 0.00 C ATOM 980 O ILE A 65 -2.270 -8.001 1.079 1.00 0.00 O ATOM 981 CB ILE A 65 -5.187 -7.215 2.406 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.931 -6.303 3.402 1.00 0.00 C ATOM 983 CG2 ILE A 65 -6.075 -8.434 2.098 1.00 0.00 C ATOM 984 CD1 ILE A 65 -6.318 -6.962 4.740 1.00 0.00 C ATOM 0 H ILE A 65 -2.912 -5.846 2.255 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.956 -8.135 3.848 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.009 -6.677 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.305 -5.436 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.838 -5.934 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.049 -8.095 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.602 -9.044 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.204 -9.028 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.836 -6.236 5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.974 -7.811 4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.418 -7.305 5.250 1.00 0.00 H new ATOM 996 N ASP A 66 -3.089 -9.793 2.128 1.00 0.00 N ATOM 997 CA ASP A 66 -2.434 -10.730 1.231 1.00 0.00 C ATOM 998 C ASP A 66 -3.189 -10.727 -0.094 1.00 0.00 C ATOM 999 O ASP A 66 -4.410 -10.535 -0.136 1.00 0.00 O ATOM 1000 CB ASP A 66 -2.398 -12.094 1.914 1.00 0.00 C ATOM 1001 CG ASP A 66 -1.782 -13.226 1.087 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -2.374 -13.626 0.066 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -0.785 -13.818 1.551 1.00 0.00 O ATOM 0 H ASP A 66 -3.610 -10.230 2.889 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.403 -10.454 1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.839 -12.001 2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.417 -12.375 2.181 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.460 -10.976 -1.179 1.00 0.00 N ATOM 1009 CA TYR A 67 -2.967 -11.144 -2.536 1.00 0.00 C ATOM 1010 C TYR A 67 -4.202 -12.065 -2.639 1.00 0.00 C ATOM 1011 O TYR A 67 -4.970 -11.938 -3.588 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.775 -11.631 -3.383 1.00 0.00 C ATOM 1013 CG TYR A 67 -2.110 -12.248 -4.724 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.589 -13.572 -4.781 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -1.966 -11.495 -5.903 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -3.017 -14.112 -6.002 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.389 -12.034 -7.133 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.955 -13.327 -7.174 1.00 0.00 C ATOM 1019 OH TYR A 67 -3.477 -13.804 -8.334 1.00 0.00 O ATOM 0 H TYR A 67 -1.446 -11.071 -1.131 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.350 -10.194 -2.910 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.108 -10.785 -3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.218 -12.364 -2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.626 -14.171 -3.883 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.532 -10.507 -5.865 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.392 -15.124 -6.046 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.281 -11.461 -8.042 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.354 -13.141 -9.045 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.470 -12.930 -1.655 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.636 -13.807 -1.538 1.00 0.00 C ATOM 1031 C ARG A 68 -6.987 -13.128 -1.741 1.00 0.00 C ATOM 1032 O ARG A 68 -7.976 -13.848 -1.919 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.609 -14.492 -0.159 1.00 0.00 C ATOM 1034 CG ARG A 68 -5.808 -13.579 1.064 1.00 0.00 C ATOM 1035 CD ARG A 68 -5.515 -14.339 2.370 1.00 0.00 C ATOM 1036 NE ARG A 68 -5.559 -13.456 3.548 1.00 0.00 N ATOM 1037 CZ ARG A 68 -5.526 -13.821 4.839 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -5.424 -15.090 5.214 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -5.589 -12.875 5.764 1.00 0.00 N ATOM 0 H ARG A 68 -3.833 -13.042 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.551 -14.524 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.384 -15.258 -0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.653 -15.004 -0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.151 -12.713 0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.831 -13.202 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.242 -15.142 2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.532 -14.806 2.304 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.622 -12.455 3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.368 -15.827 4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.402 -15.329 6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.661 -11.896 5.488 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.566 -13.126 6.752 1.00 0.00 H new ATOM 1053 N HIS A 69 -7.068 -11.801 -1.663 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.292 -11.029 -1.843 1.00 0.00 C ATOM 1055 C HIS A 69 -8.155 -9.990 -2.965 1.00 0.00 C ATOM 1056 O HIS A 69 -8.986 -9.088 -3.028 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.712 -10.420 -0.484 1.00 0.00 C ATOM 1058 CG HIS A 69 -9.339 -11.405 0.479 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -9.558 -12.754 0.274 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.822 -11.098 1.721 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -10.153 -13.247 1.373 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -10.347 -12.270 2.278 1.00 0.00 N ATOM 0 H HIS A 69 -6.256 -11.216 -1.466 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.094 -11.689 -2.174 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.835 -9.978 -0.012 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.418 -9.610 -0.666 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -9.312 -13.282 -0.563 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.802 -10.125 2.189 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.435 -14.280 1.511 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.141 -10.067 -3.838 1.00 0.00 N ATOM 1071 CA TYR A 70 -6.922 -9.159 -4.969 1.00 0.00 C ATOM 1072 C TYR A 70 -8.000 -9.346 -6.051 1.00 0.00 C ATOM 1073 O TYR A 70 -7.733 -9.759 -7.181 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.500 -9.332 -5.528 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.079 -8.435 -6.690 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -5.870 -7.360 -7.154 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -3.865 -8.718 -7.339 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -5.438 -6.591 -8.251 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -3.436 -7.967 -8.446 1.00 0.00 C ATOM 1080 CZ TYR A 70 -4.230 -6.897 -8.911 1.00 0.00 C ATOM 1081 OH TYR A 70 -3.836 -6.157 -9.987 1.00 0.00 O ATOM 0 H TYR A 70 -6.425 -10.791 -3.772 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.012 -8.133 -4.613 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.797 -9.173 -4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.389 -10.368 -5.847 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -6.806 -7.128 -6.667 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.249 -9.529 -6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.037 -5.759 -8.590 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.505 -8.207 -8.938 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.981 -6.499 -10.324 1.00 0.00 H new ATOM 1091 N SER A 71 -9.235 -8.992 -5.721 1.00 0.00 N ATOM 1092 CA SER A 71 -10.385 -9.094 -6.582 1.00 0.00 C ATOM 1093 C SER A 71 -10.499 -7.861 -7.457 1.00 0.00 C ATOM 1094 O SER A 71 -10.154 -6.761 -7.019 1.00 0.00 O ATOM 1095 CB SER A 71 -11.620 -9.248 -5.688 1.00 0.00 C ATOM 1096 OG SER A 71 -12.732 -9.813 -6.360 1.00 0.00 O ATOM 0 H SER A 71 -9.463 -8.610 -4.803 1.00 0.00 H new ATOM 0 HA SER A 71 -10.294 -9.954 -7.245 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.365 -9.874 -4.833 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.900 -8.270 -5.296 1.00 0.00 H new ATOM 0 HG SER A 71 -13.486 -9.887 -5.739 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.028 -8.027 -8.667 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.171 -6.997 -9.690 1.00 0.00 C ATOM 1104 C ALA A 72 -12.130 -5.857 -9.310 1.00 0.00 C ATOM 1105 O ALA A 72 -12.197 -4.874 -10.047 1.00 0.00 O ATOM 1106 CB ALA A 72 -11.622 -7.693 -10.974 1.00 0.00 C ATOM 0 H ALA A 72 -11.387 -8.931 -8.975 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.207 -6.504 -9.817 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.741 -6.954 -11.766 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.874 -8.427 -11.272 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.574 -8.195 -10.801 1.00 0.00 H new ATOM 1112 N SER A 73 -12.839 -5.922 -8.182 1.00 0.00 N ATOM 1113 CA SER A 73 -13.527 -4.772 -7.602 1.00 0.00 C ATOM 1114 C SER A 73 -12.516 -3.709 -7.185 1.00 0.00 C ATOM 1115 O SER A 73 -12.738 -2.509 -7.335 1.00 0.00 O ATOM 1116 CB SER A 73 -14.306 -5.212 -6.362 1.00 0.00 C ATOM 1117 OG SER A 73 -14.923 -6.466 -6.569 1.00 0.00 O ATOM 0 H SER A 73 -12.952 -6.781 -7.643 1.00 0.00 H new ATOM 0 HA SER A 73 -14.206 -4.361 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.632 -5.271 -5.507 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.063 -4.466 -6.120 1.00 0.00 H new ATOM 0 HG SER A 73 -15.413 -6.727 -5.762 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.373 -4.152 -6.669 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.320 -3.314 -6.123 1.00 0.00 C ATOM 1125 C PHE A 74 -9.371 -2.829 -7.228 1.00 0.00 C ATOM 1126 O PHE A 74 -8.200 -2.559 -6.968 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.605 -4.146 -5.052 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.524 -4.822 -4.037 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.496 -4.081 -3.336 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.410 -6.203 -3.787 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.310 -4.709 -2.377 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.251 -6.836 -2.855 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.198 -6.087 -2.142 1.00 0.00 C ATOM 0 H PHE A 74 -11.150 -5.146 -6.620 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.726 -2.407 -5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.010 -4.913 -5.547 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.910 -3.500 -4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.616 -3.027 -3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.668 -6.782 -4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.027 -4.126 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.168 -7.900 -2.688 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.837 -6.568 -1.416 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.818 -2.791 -8.490 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.972 -2.593 -9.663 1.00 0.00 C ATOM 1145 C LYS A 75 -8.271 -1.236 -9.604 1.00 0.00 C ATOM 1146 O LYS A 75 -7.128 -1.130 -10.051 1.00 0.00 O ATOM 1147 CB LYS A 75 -9.843 -2.853 -10.917 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.744 -1.840 -12.064 1.00 0.00 C ATOM 1149 CD LYS A 75 -8.763 -2.238 -13.172 1.00 0.00 C ATOM 1150 CE LYS A 75 -7.353 -2.574 -12.685 1.00 0.00 C ATOM 1151 NZ LYS A 75 -6.577 -3.299 -13.712 1.00 0.00 N ATOM 0 H LYS A 75 -10.805 -2.900 -8.724 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.144 -3.301 -9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.582 -3.835 -11.311 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.885 -2.903 -10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.733 -1.706 -12.501 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.442 -0.875 -11.656 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.165 -3.101 -13.702 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.699 -1.423 -13.893 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.832 -1.655 -12.417 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.415 -3.180 -11.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.627 -3.509 -13.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.061 -4.188 -13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.496 -2.710 -14.566 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.951 -0.215 -9.080 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.448 1.150 -8.976 1.00 0.00 C ATOM 1167 C LYS A 76 -7.975 1.481 -7.551 1.00 0.00 C ATOM 1168 O LYS A 76 -7.732 2.650 -7.251 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.500 2.125 -9.521 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.784 1.871 -11.012 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.402 3.088 -11.700 1.00 0.00 C ATOM 1172 CE LYS A 76 -10.748 2.802 -13.169 1.00 0.00 C ATOM 1173 NZ LYS A 76 -12.187 2.516 -13.364 1.00 0.00 N ATOM 0 H LYS A 76 -9.894 -0.321 -8.706 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.556 1.255 -9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.423 2.022 -8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.154 3.149 -9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.855 1.604 -11.516 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.457 1.019 -11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.304 3.387 -11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.707 3.926 -11.647 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.465 3.659 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.161 1.953 -13.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.371 2.330 -14.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.454 1.682 -12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.749 3.335 -13.056 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.813 0.478 -6.682 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.362 0.622 -5.303 1.00 0.00 C ATOM 1189 C GLY A 77 -8.435 0.155 -4.322 1.00 0.00 C ATOM 1190 O GLY A 77 -9.594 -0.049 -4.701 1.00 0.00 O ATOM 0 H GLY A 77 -8.001 -0.492 -6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.451 0.043 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.113 1.665 -5.105 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.053 -0.028 -3.056 1.00 0.00 N ATOM 1195 CA ALA A 78 -8.938 -0.423 -1.970 1.00 0.00 C ATOM 1196 C ALA A 78 -8.342 0.013 -0.634 1.00 0.00 C ATOM 1197 O ALA A 78 -7.208 0.487 -0.572 1.00 0.00 O ATOM 1198 CB ALA A 78 -9.128 -1.941 -1.985 1.00 0.00 C ATOM 0 H ALA A 78 -7.087 0.100 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.907 0.059 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.791 -2.233 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.566 -2.243 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.162 -2.430 -1.859 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.100 -0.154 0.439 1.00 0.00 N ATOM 1205 CA LYS A 79 -8.782 0.188 1.822 1.00 0.00 C ATOM 1206 C LYS A 79 -9.608 -0.744 2.729 1.00 0.00 C ATOM 1207 O LYS A 79 -10.386 -1.549 2.218 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.084 1.678 2.074 1.00 0.00 C ATOM 1209 CG LYS A 79 -10.437 2.084 1.466 1.00 0.00 C ATOM 1210 CD LYS A 79 -11.205 3.126 2.266 1.00 0.00 C ATOM 1211 CE LYS A 79 -12.712 2.917 2.065 1.00 0.00 C ATOM 1212 NZ LYS A 79 -13.434 2.931 3.353 1.00 0.00 N ATOM 0 H LYS A 79 -10.030 -0.566 0.361 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.723 0.046 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.091 1.874 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.291 2.290 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.267 2.470 0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.057 1.193 1.365 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.954 3.046 3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.920 4.128 1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.106 3.700 1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.885 1.967 1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.450 2.787 3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.073 2.168 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.288 3.847 3.823 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.428 -0.672 4.047 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.122 -1.483 5.040 1.00 0.00 C ATOM 1228 C LEU A 80 -11.153 -0.590 5.738 1.00 0.00 C ATOM 1229 O LEU A 80 -11.458 0.515 5.278 1.00 0.00 O ATOM 1230 CB LEU A 80 -9.067 -2.082 6.011 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.400 -3.493 6.543 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -9.107 -4.556 5.486 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -8.531 -3.823 7.763 1.00 0.00 C ATOM 0 H LEU A 80 -8.767 -0.019 4.467 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.658 -2.321 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.105 -2.120 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.951 -1.408 6.859 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.458 -3.496 6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.349 -5.541 5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.711 -4.364 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.051 -4.522 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.778 -4.821 8.126 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.479 -3.790 7.480 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.718 -3.093 8.551 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.642 -1.070 6.883 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.567 -0.432 7.816 1.00 0.00 C ATOM 1247 C LEU A 81 -12.356 1.081 7.901 1.00 0.00 C ATOM 1248 O LEU A 81 -13.236 1.857 7.526 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.408 -1.117 9.189 1.00 0.00 C ATOM 1250 CG LEU A 81 -13.563 -0.974 10.203 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -13.914 0.468 10.590 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -14.827 -1.694 9.738 1.00 0.00 C ATOM 0 H LEU A 81 -11.375 -1.999 7.208 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.589 -0.558 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.244 -2.181 9.016 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.503 -0.727 9.655 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.172 -1.451 11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.736 0.463 11.306 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.044 0.946 11.040 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -14.212 1.022 9.699 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -15.613 -1.567 10.482 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -15.156 -1.274 8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.615 -2.756 9.612 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.185 1.473 8.412 1.00 0.00 N ATOM 1265 CA HIS A 82 -10.775 2.868 8.592 1.00 0.00 C ATOM 1266 C HIS A 82 -9.308 3.117 8.206 1.00 0.00 C ATOM 1267 O HIS A 82 -8.804 4.226 8.403 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.051 3.323 10.039 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.136 2.714 11.078 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -9.209 3.387 11.847 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -10.077 1.394 11.433 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -8.609 2.493 12.648 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -9.082 1.256 12.407 1.00 0.00 N ATOM 0 H HIS A 82 -10.476 0.808 8.721 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.375 3.468 7.908 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.962 4.408 10.087 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.082 3.076 10.293 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -10.690 0.600 11.033 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.854 2.732 13.382 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.775 0.389 12.848 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.591 2.105 7.696 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.165 2.175 7.408 1.00 0.00 C ATOM 1283 C LYS A 83 -6.868 1.739 5.976 1.00 0.00 C ATOM 1284 O LYS A 83 -7.606 0.913 5.443 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.409 1.302 8.417 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.547 1.929 9.813 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.435 1.566 10.795 1.00 0.00 C ATOM 1288 CE LYS A 83 -5.658 0.210 11.476 1.00 0.00 C ATOM 1289 NZ LYS A 83 -5.157 0.167 12.868 1.00 0.00 N ATOM 0 H LYS A 83 -9.002 1.199 7.470 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.831 3.208 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.812 0.289 8.416 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.358 1.227 8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.578 3.013 9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.502 1.623 10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.482 1.549 10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.363 2.342 11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.723 -0.020 11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.163 -0.567 10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.562 -0.676 12.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.595 1.021 13.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.962 0.126 13.525 1.00 0.00 H new ATOM 1303 N PRO A 84 -5.801 2.263 5.355 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.410 1.912 3.994 1.00 0.00 C ATOM 1305 C PRO A 84 -4.788 0.506 3.943 1.00 0.00 C ATOM 1306 O PRO A 84 -4.315 -0.009 4.963 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.432 3.017 3.578 1.00 0.00 C ATOM 1308 CG PRO A 84 -3.803 3.455 4.901 1.00 0.00 C ATOM 1309 CD PRO A 84 -4.873 3.211 5.950 1.00 0.00 C ATOM 0 HA PRO A 84 -6.255 1.860 3.308 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.681 2.646 2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.945 3.843 3.085 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -2.901 2.882 5.117 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.513 4.505 4.871 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.439 2.811 6.866 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.379 4.139 6.216 1.00 0.00 H new ATOM 1317 N ILE A 85 -4.786 -0.107 2.753 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.352 -1.484 2.503 1.00 0.00 C ATOM 1319 C ILE A 85 -3.529 -1.554 1.216 1.00 0.00 C ATOM 1320 O ILE A 85 -3.726 -0.756 0.293 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.554 -2.469 2.453 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.334 -2.494 1.111 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.525 -2.209 3.596 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -5.941 -3.663 0.196 1.00 0.00 C ATOM 0 H ILE A 85 -5.100 0.364 1.904 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.722 -1.793 3.337 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.096 -3.453 2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.402 -2.551 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.163 -1.556 0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.355 -2.913 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.009 -2.337 4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.907 -1.191 3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.525 -3.618 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.880 -3.596 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.138 -4.606 0.705 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.700 -2.588 1.109 1.00 0.00 N ATOM 1337 CA VAL A 86 -1.926 -2.940 -0.080 1.00 0.00 C ATOM 1338 C VAL A 86 -2.062 -4.445 -0.314 1.00 0.00 C ATOM 1339 O VAL A 86 -2.519 -5.144 0.593 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.449 -2.520 0.080 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.299 -1.003 0.169 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.248 -3.150 1.288 1.00 0.00 C ATOM 0 H VAL A 86 -2.541 -3.233 1.883 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.310 -2.404 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 86 0.039 -2.895 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.755 -0.748 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.689 -0.545 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.856 -0.632 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.281 -2.806 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.271 -2.857 2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.230 -4.236 1.193 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.649 -4.947 -1.484 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.461 -6.377 -1.716 1.00 0.00 C ATOM 1354 C TRP A 87 -0.016 -6.708 -1.389 1.00 0.00 C ATOM 1355 O TRP A 87 0.885 -6.210 -2.069 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.815 -6.797 -3.153 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.158 -6.318 -3.610 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.400 -5.427 -4.597 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.456 -6.627 -3.036 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.738 -5.102 -4.627 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.437 -5.829 -3.693 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.899 -7.495 -2.020 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.787 -5.862 -3.335 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.258 -7.574 -1.687 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.198 -6.746 -2.329 1.00 0.00 C ATOM 0 H TRP A 87 -1.436 -4.368 -2.296 1.00 0.00 H new ATOM 0 HA TRP A 87 -2.141 -6.937 -1.074 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.053 -6.414 -3.832 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.785 -7.884 -3.221 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.652 -5.027 -5.266 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.154 -4.415 -5.256 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.183 -8.107 -1.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.501 -5.217 -3.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.586 -8.274 -0.933 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.239 -6.792 -2.045 1.00 0.00 H new ATOM 1376 N HIS A 88 0.213 -7.497 -0.345 1.00 0.00 N ATOM 1377 CA HIS A 88 1.504 -8.101 -0.086 1.00 0.00 C ATOM 1378 C HIS A 88 1.481 -9.544 -0.576 1.00 0.00 C ATOM 1379 O HIS A 88 0.429 -10.185 -0.658 1.00 0.00 O ATOM 1380 CB HIS A 88 1.893 -7.970 1.392 1.00 0.00 C ATOM 1381 CG HIS A 88 1.307 -8.969 2.352 1.00 0.00 C ATOM 1382 ND1 HIS A 88 1.981 -10.067 2.832 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.124 -8.888 3.032 1.00 0.00 C ATOM 1384 CE1 HIS A 88 1.213 -10.656 3.753 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.066 -9.974 3.913 1.00 0.00 N ATOM 0 H HIS A 88 -0.499 -7.733 0.346 1.00 0.00 H new ATOM 0 HA HIS A 88 2.281 -7.572 -0.638 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.979 -8.033 1.462 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.609 -6.973 1.728 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.630 -8.124 2.911 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.477 -11.554 4.293 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.696 -10.203 4.551 1.00 0.00 H new ATOM 1393 N ILE A 89 2.670 -10.051 -0.882 1.00 0.00 N ATOM 1394 CA ILE A 89 2.936 -11.453 -1.152 1.00 0.00 C ATOM 1395 C ILE A 89 4.208 -11.729 -0.377 1.00 0.00 C ATOM 1396 O ILE A 89 5.209 -11.086 -0.667 1.00 0.00 O ATOM 1397 CB ILE A 89 3.120 -11.692 -2.670 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.774 -11.568 -3.409 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.733 -13.076 -2.926 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.885 -11.664 -4.936 1.00 0.00 C ATOM 0 H ILE A 89 3.506 -9.471 -0.951 1.00 0.00 H new ATOM 0 HA ILE A 89 2.122 -12.113 -0.854 1.00 0.00 H new ATOM 0 HB ILE A 89 3.799 -10.930 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.104 -12.351 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.315 -10.614 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.855 -13.227 -3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.705 -13.139 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.074 -13.846 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.894 -11.567 -5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.527 -10.865 -5.305 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.313 -12.629 -5.210 1.00 0.00 H new ATOM 1412 N ASN A 90 4.201 -12.655 0.581 1.00 0.00 N ATOM 1413 CA ASN A 90 5.390 -13.082 1.328 1.00 0.00 C ATOM 1414 C ASN A 90 6.234 -11.948 1.944 1.00 0.00 C ATOM 1415 O ASN A 90 7.431 -12.131 2.165 1.00 0.00 O ATOM 1416 CB ASN A 90 6.218 -14.105 0.513 1.00 0.00 C ATOM 1417 CG ASN A 90 7.054 -13.596 -0.662 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.881 -14.046 -1.796 1.00 0.00 O ATOM 1419 ND2 ASN A 90 8.018 -12.726 -0.439 1.00 0.00 N ATOM 0 H ASN A 90 3.352 -13.142 0.868 1.00 0.00 H new ATOM 0 HA ASN A 90 5.011 -13.591 2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.891 -14.612 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.530 -14.858 0.129 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.621 -12.425 -1.205 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.162 -12.353 0.500 1.00 0.00 H new ATOM 1426 N GLN A 91 5.637 -10.789 2.244 1.00 0.00 N ATOM 1427 CA GLN A 91 6.334 -9.567 2.681 1.00 0.00 C ATOM 1428 C GLN A 91 7.301 -9.022 1.594 1.00 0.00 C ATOM 1429 O GLN A 91 8.354 -8.450 1.883 1.00 0.00 O ATOM 1430 CB GLN A 91 6.978 -9.748 4.071 1.00 0.00 C ATOM 1431 CG GLN A 91 6.037 -10.420 5.091 1.00 0.00 C ATOM 1432 CD GLN A 91 6.627 -10.506 6.494 1.00 0.00 C ATOM 1433 OE1 GLN A 91 5.990 -10.150 7.478 1.00 0.00 O ATOM 1434 NE2 GLN A 91 7.816 -11.054 6.639 1.00 0.00 N ATOM 0 H GLN A 91 4.626 -10.669 2.189 1.00 0.00 H new ATOM 0 HA GLN A 91 5.588 -8.782 2.806 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.883 -10.348 3.970 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.282 -8.774 4.453 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.101 -9.863 5.132 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.795 -11.425 4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.345 -11.350 5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.208 -11.183 7.572 1.00 0.00 H new ATOM 1443 N ALA A 92 6.956 -9.191 0.314 1.00 0.00 N ATOM 1444 CA ALA A 92 7.578 -8.561 -0.841 1.00 0.00 C ATOM 1445 C ALA A 92 6.502 -7.891 -1.703 1.00 0.00 C ATOM 1446 O ALA A 92 5.299 -8.056 -1.467 1.00 0.00 O ATOM 1447 CB ALA A 92 8.312 -9.627 -1.664 1.00 0.00 C ATOM 0 H ALA A 92 6.189 -9.809 0.047 1.00 0.00 H new ATOM 0 HA ALA A 92 8.290 -7.806 -0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.780 -9.160 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.078 -10.098 -1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.601 -10.382 -1.999 1.00 0.00 H new ATOM 1453 N THR A 93 6.948 -7.154 -2.716 1.00 0.00 N ATOM 1454 CA THR A 93 6.171 -6.783 -3.881 1.00 0.00 C ATOM 1455 C THR A 93 6.745 -7.539 -5.077 1.00 0.00 C ATOM 1456 O THR A 93 7.839 -8.104 -5.019 1.00 0.00 O ATOM 1457 CB THR A 93 6.116 -5.249 -4.041 1.00 0.00 C ATOM 1458 OG1 THR A 93 5.386 -4.873 -5.190 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.481 -4.532 -4.019 1.00 0.00 C ATOM 0 H THR A 93 7.899 -6.787 -2.743 1.00 0.00 H new ATOM 0 HA THR A 93 5.125 -7.073 -3.782 1.00 0.00 H new ATOM 0 HB THR A 93 5.596 -4.911 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.369 -3.896 -5.261 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.330 -3.459 -4.139 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.978 -4.725 -3.068 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.101 -4.905 -4.834 1.00 0.00 H new ATOM 1467 N THR A 94 5.958 -7.605 -6.141 1.00 0.00 N ATOM 1468 CA THR A 94 6.201 -8.371 -7.346 1.00 0.00 C ATOM 1469 C THR A 94 5.571 -7.569 -8.484 1.00 0.00 C ATOM 1470 O THR A 94 4.667 -6.772 -8.232 1.00 0.00 O ATOM 1471 CB THR A 94 5.528 -9.755 -7.195 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.125 -9.648 -7.007 1.00 0.00 O ATOM 1473 CG2 THR A 94 6.056 -10.575 -6.017 1.00 0.00 C ATOM 0 H THR A 94 5.078 -7.091 -6.184 1.00 0.00 H new ATOM 0 HA THR A 94 7.261 -8.537 -7.539 1.00 0.00 H new ATOM 0 HB THR A 94 5.770 -10.260 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.721 -10.540 -7.045 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.535 -11.532 -5.977 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.125 -10.748 -6.144 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.885 -10.030 -5.089 1.00 0.00 H new ATOM 1481 N LYS A 95 5.910 -7.815 -9.750 1.00 0.00 N ATOM 1482 CA LYS A 95 5.220 -7.147 -10.856 1.00 0.00 C ATOM 1483 C LYS A 95 3.718 -7.488 -10.889 1.00 0.00 C ATOM 1484 O LYS A 95 2.912 -6.691 -11.380 1.00 0.00 O ATOM 1485 CB LYS A 95 5.975 -7.453 -12.150 1.00 0.00 C ATOM 1486 CG LYS A 95 5.435 -6.720 -13.386 1.00 0.00 C ATOM 1487 CD LYS A 95 4.704 -7.652 -14.360 1.00 0.00 C ATOM 1488 CE LYS A 95 5.647 -8.358 -15.346 1.00 0.00 C ATOM 1489 NZ LYS A 95 6.596 -9.307 -14.731 1.00 0.00 N ATOM 0 H LYS A 95 6.646 -8.461 -10.033 1.00 0.00 H new ATOM 0 HA LYS A 95 5.232 -6.066 -10.717 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.024 -7.190 -12.016 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.937 -8.527 -12.334 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.754 -5.931 -13.066 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.262 -6.236 -13.905 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.155 -8.403 -13.791 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.968 -7.076 -14.921 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.045 -8.894 -16.080 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.214 -7.601 -15.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.131 -9.796 -15.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.255 -8.789 -14.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.072 -10.006 -14.167 1.00 0.00 H new ATOM 1503 N THR A 96 3.311 -8.611 -10.292 1.00 0.00 N ATOM 1504 CA THR A 96 1.911 -8.968 -10.067 1.00 0.00 C ATOM 1505 C THR A 96 1.214 -7.961 -9.132 1.00 0.00 C ATOM 1506 O THR A 96 0.038 -7.641 -9.331 1.00 0.00 O ATOM 1507 CB THR A 96 1.861 -10.397 -9.495 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.776 -11.214 -10.205 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.461 -11.002 -9.591 1.00 0.00 C ATOM 0 H THR A 96 3.963 -9.314 -9.944 1.00 0.00 H new ATOM 0 HA THR A 96 1.369 -8.933 -11.012 1.00 0.00 H new ATOM 0 HB THR A 96 2.130 -10.347 -8.440 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.750 -12.125 -9.844 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.471 -12.010 -9.176 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.241 -10.386 -9.029 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.153 -11.042 -10.636 1.00 0.00 H new ATOM 1517 N THR A 97 1.939 -7.413 -8.153 1.00 0.00 N ATOM 1518 CA THR A 97 1.409 -6.559 -7.089 1.00 0.00 C ATOM 1519 C THR A 97 2.016 -5.148 -7.143 1.00 0.00 C ATOM 1520 O THR A 97 1.834 -4.357 -6.232 1.00 0.00 O ATOM 1521 CB THR A 97 1.591 -7.236 -5.720 1.00 0.00 C ATOM 1522 OG1 THR A 97 2.941 -7.608 -5.496 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.759 -8.495 -5.533 1.00 0.00 C ATOM 0 H THR A 97 2.946 -7.557 -8.078 1.00 0.00 H new ATOM 0 HA THR A 97 0.338 -6.430 -7.246 1.00 0.00 H new ATOM 0 HB THR A 97 1.257 -6.479 -5.010 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.186 -8.333 -6.108 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.945 -8.910 -4.543 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.299 -8.250 -5.631 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.033 -9.228 -6.291 1.00 0.00 H new ATOM 1531 N PHE A 98 2.737 -4.813 -8.208 1.00 0.00 N ATOM 1532 CA PHE A 98 3.274 -3.502 -8.526 1.00 0.00 C ATOM 1533 C PHE A 98 2.114 -2.645 -9.012 1.00 0.00 C ATOM 1534 O PHE A 98 1.686 -1.720 -8.331 1.00 0.00 O ATOM 1535 CB PHE A 98 4.340 -3.698 -9.613 1.00 0.00 C ATOM 1536 CG PHE A 98 4.640 -2.513 -10.509 1.00 0.00 C ATOM 1537 CD1 PHE A 98 4.966 -1.257 -9.971 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.611 -2.688 -11.903 1.00 0.00 C ATOM 1539 CE1 PHE A 98 5.306 -0.189 -10.816 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.982 -1.634 -12.750 1.00 0.00 C ATOM 1541 CZ PHE A 98 5.348 -0.393 -12.203 1.00 0.00 C ATOM 0 H PHE A 98 2.976 -5.503 -8.920 1.00 0.00 H new ATOM 0 HA PHE A 98 3.736 -3.008 -7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.268 -3.997 -9.126 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.029 -4.530 -10.245 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.955 -1.112 -8.901 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.303 -3.635 -12.322 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.533 0.782 -10.401 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.986 -1.776 -13.821 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.664 0.409 -12.854 1.00 0.00 H new ATOM 1551 N LYS A 99 1.573 -3.006 -10.181 1.00 0.00 N ATOM 1552 CA LYS A 99 0.522 -2.313 -10.920 1.00 0.00 C ATOM 1553 C LYS A 99 -0.610 -1.852 -9.981 1.00 0.00 C ATOM 1554 O LYS A 99 -0.972 -0.678 -10.044 1.00 0.00 O ATOM 1555 CB LYS A 99 -0.002 -3.271 -12.008 1.00 0.00 C ATOM 1556 CG LYS A 99 0.827 -3.294 -13.305 1.00 0.00 C ATOM 1557 CD LYS A 99 0.143 -2.665 -14.526 1.00 0.00 C ATOM 1558 CE LYS A 99 0.197 -1.139 -14.457 1.00 0.00 C ATOM 1559 NZ LYS A 99 -0.039 -0.509 -15.770 1.00 0.00 N ATOM 0 H LYS A 99 1.882 -3.849 -10.665 1.00 0.00 H new ATOM 0 HA LYS A 99 0.923 -1.411 -11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.036 -4.280 -11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.027 -2.993 -12.254 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.767 -2.773 -13.126 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.076 -4.329 -13.540 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.631 -3.009 -15.438 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.895 -2.994 -14.576 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.549 -0.783 -13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.171 -0.829 -14.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.007 0.525 -15.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.688 -0.826 -16.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.979 -0.782 -16.122 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.217 -2.717 -9.144 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.262 -2.308 -8.206 1.00 0.00 C ATOM 1575 C PRO A 100 -1.719 -1.498 -7.026 1.00 0.00 C ATOM 1576 O PRO A 100 -2.440 -0.619 -6.555 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.906 -3.609 -7.727 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.759 -4.608 -7.834 1.00 0.00 C ATOM 1579 CD PRO A 100 -1.066 -4.164 -9.104 1.00 0.00 C ATOM 0 HA PRO A 100 -2.976 -1.645 -8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.277 -3.525 -6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.753 -3.896 -8.351 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.096 -4.560 -6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.118 -5.635 -7.904 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.014 -4.449 -9.097 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.517 -4.630 -9.980 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.485 -1.719 -6.551 1.00 0.00 N ATOM 1588 CA ASN A 101 0.033 -0.960 -5.417 1.00 0.00 C ATOM 1589 C ASN A 101 0.139 0.507 -5.787 1.00 0.00 C ATOM 1590 O ASN A 101 -0.084 1.361 -4.940 1.00 0.00 O ATOM 1591 CB ASN A 101 1.433 -1.414 -4.978 1.00 0.00 C ATOM 1592 CG ASN A 101 1.407 -2.044 -3.598 1.00 0.00 C ATOM 1593 OD1 ASN A 101 0.968 -1.433 -2.639 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.807 -3.296 -3.467 1.00 0.00 N ATOM 0 H ASN A 101 0.162 -2.409 -6.933 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.666 -1.129 -4.597 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.827 -2.131 -5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.110 -0.559 -4.976 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.750 -3.757 -2.559 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.173 -3.801 -4.274 1.00 0.00 H new ATOM 1601 N THR A 102 0.469 0.819 -7.048 1.00 0.00 N ATOM 1602 CA THR A 102 0.702 2.206 -7.427 1.00 0.00 C ATOM 1603 C THR A 102 -0.541 3.076 -7.161 1.00 0.00 C ATOM 1604 O THR A 102 -0.425 4.248 -6.812 1.00 0.00 O ATOM 1605 CB THR A 102 1.258 2.319 -8.861 1.00 0.00 C ATOM 1606 OG1 THR A 102 0.277 2.459 -9.870 1.00 0.00 O ATOM 1607 CG2 THR A 102 2.130 1.162 -9.348 1.00 0.00 C ATOM 0 H THR A 102 0.577 0.142 -7.803 1.00 0.00 H new ATOM 0 HA THR A 102 1.485 2.611 -6.786 1.00 0.00 H new ATOM 0 HB THR A 102 1.855 3.222 -8.735 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.714 2.525 -10.745 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.459 1.359 -10.368 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.000 1.064 -8.699 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.554 0.237 -9.325 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.738 2.486 -7.241 1.00 0.00 N ATOM 1616 CA TRP A 103 -2.998 3.120 -6.874 1.00 0.00 C ATOM 1617 C TRP A 103 -3.065 3.417 -5.373 1.00 0.00 C ATOM 1618 O TRP A 103 -3.540 4.483 -4.996 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.151 2.201 -7.291 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.358 2.016 -8.762 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.801 1.048 -9.520 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.219 2.775 -9.663 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.298 1.117 -10.806 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.248 2.110 -10.922 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -5.995 3.947 -9.541 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -6.100 2.518 -11.957 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -6.805 4.403 -10.599 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -6.870 3.681 -11.801 1.00 0.00 C ATOM 0 H TRP A 103 -1.855 1.528 -7.572 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.076 4.076 -7.392 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -3.985 1.221 -6.844 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.073 2.595 -6.863 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -3.075 0.328 -9.173 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.001 0.512 -11.571 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.967 4.506 -8.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.164 1.942 -12.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.378 5.311 -10.485 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.510 4.019 -12.603 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.562 2.523 -4.515 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.448 2.810 -3.091 1.00 0.00 C ATOM 1641 C CYS A 104 -1.509 3.987 -2.858 1.00 0.00 C ATOM 1642 O CYS A 104 -1.822 4.823 -2.020 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.965 1.590 -2.301 1.00 0.00 C ATOM 1644 SG CYS A 104 -2.191 1.925 -0.528 1.00 0.00 S ATOM 0 H CYS A 104 -2.229 1.598 -4.786 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.444 3.068 -2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.526 0.703 -2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.916 1.389 -2.518 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.819 0.930 0.025 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.407 4.104 -3.606 1.00 0.00 N ATOM 1651 CA LEU A 105 0.519 5.217 -3.428 1.00 0.00 C ATOM 1652 C LEU A 105 -0.229 6.488 -3.800 1.00 0.00 C ATOM 1653 O LEU A 105 -0.270 7.419 -3.009 1.00 0.00 O ATOM 1654 CB LEU A 105 1.810 5.019 -4.252 1.00 0.00 C ATOM 1655 CG LEU A 105 2.612 3.782 -3.796 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.717 3.399 -4.784 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.234 3.963 -2.405 1.00 0.00 C ATOM 0 H LEU A 105 -0.139 3.443 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 105 0.853 5.281 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.553 4.914 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.435 5.908 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 105 1.880 2.975 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.249 2.523 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.275 3.172 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.415 4.230 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.787 3.063 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.913 4.816 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.445 4.139 -1.674 1.00 0.00 H new ATOM 1669 N ARG A 106 -0.967 6.491 -4.917 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.848 7.612 -5.262 1.00 0.00 C ATOM 1671 C ARG A 106 -2.918 7.894 -4.204 1.00 0.00 C ATOM 1672 O ARG A 106 -3.425 9.010 -4.162 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.524 7.390 -6.619 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.468 7.386 -7.716 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.070 7.414 -9.123 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.373 8.393 -9.973 1.00 0.00 N ATOM 1677 CZ ARG A 106 -1.420 8.488 -11.305 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -2.105 7.607 -12.029 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -0.793 9.475 -11.933 1.00 0.00 N ATOM 0 H ARG A 106 -0.971 5.730 -5.596 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.198 8.486 -5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.066 6.444 -6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.256 8.176 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.816 8.250 -7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.845 6.498 -7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.002 6.423 -9.572 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.129 7.666 -9.065 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.788 9.076 -9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.604 6.846 -11.568 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.132 7.693 -13.045 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.270 10.169 -11.399 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.834 9.540 -12.950 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.294 6.929 -3.368 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.208 7.128 -2.253 1.00 0.00 C ATOM 1695 C CYS A 107 -3.491 7.799 -1.075 1.00 0.00 C ATOM 1696 O CYS A 107 -4.130 8.540 -0.330 1.00 0.00 O ATOM 1697 CB CYS A 107 -4.784 5.766 -1.830 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.547 5.908 -1.423 1.00 0.00 S ATOM 0 H CYS A 107 -2.963 5.968 -3.451 1.00 0.00 H new ATOM 0 HA CYS A 107 -5.019 7.786 -2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.649 5.044 -2.635 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.237 5.387 -0.967 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.006 4.744 -1.072 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.197 7.529 -0.880 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.359 8.123 0.160 1.00 0.00 C ATOM 1706 C LEU A 108 -0.798 9.483 -0.265 1.00 0.00 C ATOM 1707 O LEU A 108 -0.354 10.243 0.591 1.00 0.00 O ATOM 1708 CB LEU A 108 -0.190 7.181 0.504 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.583 5.809 1.082 1.00 0.00 C ATOM 1710 CD1 LEU A 108 0.693 5.005 1.334 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -1.381 5.916 2.389 1.00 0.00 C ATOM 0 H LEU A 108 -1.688 6.866 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.991 8.272 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.399 7.019 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.458 7.684 1.221 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.229 5.316 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.433 4.029 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.231 4.873 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.326 5.539 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.629 4.917 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.782 6.432 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.299 6.475 2.210 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.812 9.820 -1.559 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.474 11.139 -2.056 1.00 0.00 C ATOM 1725 C TRP A 109 -1.430 12.162 -1.439 1.00 0.00 C ATOM 1726 O TRP A 109 -2.573 11.841 -1.096 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.589 11.125 -3.586 1.00 0.00 C ATOM 1728 CG TRP A 109 0.442 10.369 -4.375 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.412 9.555 -3.897 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.579 10.321 -5.826 1.00 0.00 C ATOM 1731 NE1 TRP A 109 2.101 8.982 -4.947 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.620 9.411 -6.163 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.120 10.914 -6.894 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.946 9.111 -7.494 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 0.219 10.651 -8.233 1.00 0.00 C ATOM 1736 CH2 TRP A 109 1.242 9.736 -8.537 1.00 0.00 C ATOM 0 H TRP A 109 -1.065 9.163 -2.297 1.00 0.00 H new ATOM 0 HA TRP A 109 0.545 11.413 -1.782 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.567 10.717 -3.841 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.576 12.160 -3.929 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.616 9.380 -2.851 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.871 8.322 -4.835 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -0.937 11.587 -6.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.732 8.405 -7.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.308 11.154 -9.030 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.485 9.515 -9.566 1.00 0.00 H new ATOM 1747 N SER A 110 -0.973 13.402 -1.341 1.00 0.00 N ATOM 1748 CA SER A 110 -1.704 14.521 -0.786 1.00 0.00 C ATOM 1749 C SER A 110 -2.239 15.298 -1.986 1.00 0.00 C ATOM 1750 O SER A 110 -1.507 15.520 -2.956 1.00 0.00 O ATOM 1751 CB SER A 110 -0.719 15.327 0.087 1.00 0.00 C ATOM 1752 OG SER A 110 -1.322 15.970 1.195 1.00 0.00 O ATOM 0 H SER A 110 -0.040 13.662 -1.662 1.00 0.00 H new ATOM 0 HA SER A 110 -2.543 14.248 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.061 14.657 0.449 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.231 16.078 -0.534 1.00 0.00 H new ATOM 0 HG SER A 110 -0.639 16.458 1.701 1.00 0.00 H new ATOM 1758 N THR A 111 -3.508 15.701 -1.986 1.00 0.00 N ATOM 1759 CA THR A 111 -3.911 16.744 -2.925 1.00 0.00 C ATOM 1760 C THR A 111 -3.133 18.010 -2.583 1.00 0.00 C ATOM 1761 O THR A 111 -2.955 18.274 -1.394 1.00 0.00 O ATOM 1762 CB THR A 111 -5.414 16.992 -2.842 1.00 0.00 C ATOM 1763 OG1 THR A 111 -5.849 17.096 -1.497 1.00 0.00 O ATOM 1764 CG2 THR A 111 -6.173 15.856 -3.511 1.00 0.00 C ATOM 0 H THR A 111 -4.244 15.342 -1.378 1.00 0.00 H new ATOM 0 HA THR A 111 -3.690 16.435 -3.947 1.00 0.00 H new ATOM 0 HB THR A 111 -5.616 17.933 -3.354 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.816 17.256 -1.477 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.244 16.045 -3.445 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.880 15.790 -4.559 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.939 14.917 -3.009 1.00 0.00 H new ATOM 1772 N LYS A 112 -2.694 18.756 -3.605 1.00 0.00 N ATOM 1773 CA LYS A 112 -1.767 19.877 -3.542 1.00 0.00 C ATOM 1774 C LYS A 112 -1.982 20.674 -2.253 1.00 0.00 C ATOM 1775 O LYS A 112 -2.994 21.369 -2.134 1.00 0.00 O ATOM 1776 CB LYS A 112 -1.845 20.713 -4.824 1.00 0.00 C ATOM 1777 CG LYS A 112 -1.178 22.087 -4.785 1.00 0.00 C ATOM 1778 CD LYS A 112 0.309 22.114 -4.404 1.00 0.00 C ATOM 1779 CE LYS A 112 0.872 23.541 -4.456 1.00 0.00 C ATOM 1780 NZ LYS A 112 0.016 24.500 -3.723 1.00 0.00 N ATOM 0 H LYS A 112 -3.003 18.574 -4.560 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.742 19.510 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.395 20.138 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.896 20.851 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.287 22.548 -5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.723 22.711 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.437 21.706 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.872 21.474 -5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.875 23.551 -4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.964 23.857 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.615 25.192 -3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.604 24.996 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.565 23.987 -3.029 1.00 0.00 H new ATOM 1794 N PRO A 113 -1.062 20.497 -1.288 1.00 0.00 N ATOM 1795 CA PRO A 113 -1.043 21.236 -0.045 1.00 0.00 C ATOM 1796 C PRO A 113 -1.080 22.730 -0.336 1.00 0.00 C ATOM 1797 O PRO A 113 -0.463 23.189 -1.305 1.00 0.00 O ATOM 1798 CB PRO A 113 0.276 20.823 0.628 1.00 0.00 C ATOM 1799 CG PRO A 113 0.487 19.405 0.112 1.00 0.00 C ATOM 1800 CD PRO A 113 0.008 19.516 -1.324 1.00 0.00 C ATOM 0 HA PRO A 113 -1.900 21.025 0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.097 21.482 0.347 1.00 0.00 H new ATOM 0 HB3 PRO A 113 0.202 20.851 1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 113 1.532 19.101 0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -0.090 18.675 0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 113 0.814 19.835 -1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -0.349 18.556 -1.696 1.00 0.00 H new ATOM 1808 N VAL A 114 -1.725 23.509 0.523 1.00 0.00 N ATOM 1809 CA VAL A 114 -1.656 24.960 0.460 1.00 0.00 C ATOM 1810 C VAL A 114 -0.539 25.508 1.357 1.00 0.00 C ATOM 1811 O VAL A 114 -0.369 26.717 1.505 1.00 0.00 O ATOM 1812 CB VAL A 114 -3.054 25.512 0.789 1.00 0.00 C ATOM 1813 CG1 VAL A 114 -4.079 25.061 -0.265 1.00 0.00 C ATOM 1814 CG2 VAL A 114 -3.576 25.103 2.174 1.00 0.00 C ATOM 0 H VAL A 114 -2.308 23.153 1.280 1.00 0.00 H new ATOM 0 HA VAL A 114 -1.385 25.295 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.939 26.596 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.061 25.462 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -3.778 25.428 -1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.126 23.972 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -4.566 25.531 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.637 24.016 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.896 25.471 2.942 1.00 0.00 H new ATOM 1824 N ASP A 115 0.304 24.592 1.811 1.00 0.00 N ATOM 1825 CA ASP A 115 1.654 24.741 2.347 1.00 0.00 C ATOM 1826 C ASP A 115 2.624 25.101 1.217 1.00 0.00 C ATOM 1827 O ASP A 115 3.536 25.906 1.415 1.00 0.00 O ATOM 1828 CB ASP A 115 2.016 23.382 2.945 1.00 0.00 C ATOM 1829 CG ASP A 115 3.426 23.294 3.508 1.00 0.00 C ATOM 1830 OD1 ASP A 115 3.680 23.800 4.621 1.00 0.00 O ATOM 1831 OD2 ASP A 115 4.227 22.512 2.943 1.00 0.00 O ATOM 0 H ASP A 115 0.027 23.610 1.814 1.00 0.00 H new ATOM 0 HA ASP A 115 1.711 25.533 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.307 23.148 3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.897 22.618 2.176 1.00 0.00 H new ATOM 1836 N THR A 116 2.343 24.557 0.026 1.00 0.00 N ATOM 1837 CA THR A 116 2.952 24.852 -1.261 1.00 0.00 C ATOM 1838 C THR A 116 4.477 24.751 -1.201 1.00 0.00 C ATOM 1839 O THR A 116 4.935 23.589 -1.233 1.00 0.00 O ATOM 1840 CB THR A 116 2.392 26.185 -1.771 1.00 0.00 C ATOM 1841 OG1 THR A 116 0.977 26.178 -1.731 1.00 0.00 O ATOM 1842 CG2 THR A 116 2.805 26.480 -3.215 1.00 0.00 C ATOM 0 H THR A 116 1.622 23.840 -0.060 1.00 0.00 H new ATOM 0 HA THR A 116 2.685 24.099 -2.003 1.00 0.00 H new ATOM 0 HB THR A 116 2.802 26.953 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.636 27.037 -2.058 1.00 0.00 H new ATOM 0 HG21 THR A 116 2.382 27.435 -3.527 1.00 0.00 H new ATOM 0 HG22 THR A 116 3.892 26.526 -3.280 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.435 25.689 -3.868 1.00 0.00 H new TER 1850 THR A 116