USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=32 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 93 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.204 USER MOD Set 1.3: A 96 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 97 THR OG1 : rot 70:sc= -0.205 USER MOD Set 2.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0.00181 USER MOD Set 3.1: A 26 THR OG1 : rot -53:sc= 0.59 USER MOD Set 3.2: A 51 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 24 LYS NZ :NH3+ -133:sc= -0.154 (180deg=0) USER MOD Set 4.2: A 37 ASN : amide:sc= 0.416 K(o=0.26,f=-2.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0436 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc=-0.00231 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 5 GLN : amide:sc= -0.055 K(o=-0.055,f=-1.1) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 17 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.28) USER MOD Single : A 19 SER OG : rot 16:sc= 0.763 USER MOD Single : A 22 ASN : amide:sc= 0.0165 X(o=0.016,f=0) USER MOD Single : A 27 CYS SG : rot -11:sc= -1.8 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 29 ASN : amide:sc= 0.386 K(o=0.39,f=-8.6!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 39 MET CE :methyl -128:sc= -0.883 (180deg=-4.94!) USER MOD Single : A 40 THR OG1 : rot -90:sc= 1.57 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 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0578 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= 0.478 K(o=0.48,f=-7.9!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 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=-0.00373 X(o=-0.0037,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= 1.95 (180deg=1.82) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 90 ASN : amide:sc= 0.721 K(o=0.72,f=-0.91) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0.013) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 1.16 K(o=1.2,f=-2.5!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot 136:sc= 0.748 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 39:sc= 0.151 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 96:sc= 0.00471 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.313 -22.906 -3.732 1.00 0.00 N ATOM 2 CA MET A 1 -15.700 -22.498 -3.983 1.00 0.00 C ATOM 3 C MET A 1 -16.124 -21.673 -2.779 1.00 0.00 C ATOM 4 O MET A 1 -15.896 -22.126 -1.659 1.00 0.00 O ATOM 5 CB MET A 1 -16.587 -23.728 -4.225 1.00 0.00 C ATOM 6 CG MET A 1 -17.995 -23.364 -4.709 1.00 0.00 C ATOM 7 SD MET A 1 -19.131 -22.777 -3.427 1.00 0.00 S ATOM 8 CE MET A 1 -20.544 -22.326 -4.464 1.00 0.00 C ATOM 0 H1 MET A 1 -14.160 -23.865 -4.105 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.665 -22.243 -4.204 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.129 -22.899 -2.708 1.00 0.00 H new ATOM 0 HA MET A 1 -15.799 -21.897 -4.887 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.110 -24.373 -4.963 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.663 -24.302 -3.301 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.909 -22.593 -5.475 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.434 -24.240 -5.186 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.348 -21.940 -3.836 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.242 -21.560 -5.178 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.895 -23.206 -5.003 1.00 0.00 H new ATOM 18 N TYR A 2 -16.684 -20.476 -2.998 1.00 0.00 N ATOM 19 CA TYR A 2 -16.895 -19.427 -1.996 1.00 0.00 C ATOM 20 C TYR A 2 -15.555 -18.927 -1.416 1.00 0.00 C ATOM 21 O TYR A 2 -14.477 -19.453 -1.728 1.00 0.00 O ATOM 22 CB TYR A 2 -17.933 -19.908 -0.962 1.00 0.00 C ATOM 23 CG TYR A 2 -18.345 -18.914 0.101 1.00 0.00 C ATOM 24 CD1 TYR A 2 -19.270 -17.896 -0.193 1.00 0.00 C ATOM 25 CD2 TYR A 2 -17.844 -19.048 1.408 1.00 0.00 C ATOM 26 CE1 TYR A 2 -19.749 -17.051 0.824 1.00 0.00 C ATOM 27 CE2 TYR A 2 -18.289 -18.185 2.420 1.00 0.00 C ATOM 28 CZ TYR A 2 -19.263 -17.198 2.143 1.00 0.00 C ATOM 29 OH TYR A 2 -19.677 -16.365 3.136 1.00 0.00 O ATOM 0 H TYR A 2 -17.017 -20.202 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 2 -17.324 -18.536 -2.455 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -18.828 -20.222 -1.499 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -17.533 -20.792 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -19.615 -17.762 -1.208 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -17.117 -19.815 1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -20.485 -16.293 0.598 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -17.885 -18.275 3.418 1.00 0.00 H new ATOM 0 HH TYR A 2 -19.239 -16.615 3.976 1.00 0.00 H new ATOM 39 N THR A 3 -15.572 -17.795 -0.710 1.00 0.00 N ATOM 40 CA THR A 3 -14.388 -17.047 -0.271 1.00 0.00 C ATOM 41 C THR A 3 -14.702 -16.234 1.007 1.00 0.00 C ATOM 42 O THR A 3 -13.990 -15.282 1.311 1.00 0.00 O ATOM 43 CB THR A 3 -13.890 -16.176 -1.454 1.00 0.00 C ATOM 44 OG1 THR A 3 -13.778 -16.970 -2.625 1.00 0.00 O ATOM 45 CG2 THR A 3 -12.502 -15.549 -1.288 1.00 0.00 C ATOM 0 H THR A 3 -16.444 -17.355 -0.416 1.00 0.00 H new ATOM 0 HA THR A 3 -13.580 -17.724 0.005 1.00 0.00 H new ATOM 0 HB THR A 3 -14.633 -15.380 -1.505 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.465 -16.414 -3.369 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.259 -14.963 -2.175 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.498 -14.900 -0.412 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.760 -16.337 -1.159 1.00 0.00 H new ATOM 53 N GLU A 4 -15.761 -16.571 1.759 1.00 0.00 N ATOM 54 CA GLU A 4 -16.218 -15.792 2.921 1.00 0.00 C ATOM 55 C GLU A 4 -16.584 -14.381 2.453 1.00 0.00 C ATOM 56 O GLU A 4 -16.858 -14.161 1.266 1.00 0.00 O ATOM 57 CB GLU A 4 -15.215 -15.981 4.080 1.00 0.00 C ATOM 58 CG GLU A 4 -15.743 -15.793 5.510 1.00 0.00 C ATOM 59 CD GLU A 4 -15.312 -14.476 6.163 1.00 0.00 C ATOM 60 OE1 GLU A 4 -14.189 -14.395 6.719 1.00 0.00 O ATOM 61 OE2 GLU A 4 -16.129 -13.533 6.156 1.00 0.00 O ATOM 0 H GLU A 4 -16.329 -17.398 1.577 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.150 -16.141 3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.798 -16.985 4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.392 -15.282 3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.832 -15.840 5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.397 -16.623 6.126 1.00 0.00 H new ATOM 68 N GLN A 5 -16.727 -13.435 3.361 1.00 0.00 N ATOM 69 CA GLN A 5 -16.544 -12.034 3.014 1.00 0.00 C ATOM 70 C GLN A 5 -15.045 -11.722 3.156 1.00 0.00 C ATOM 71 O GLN A 5 -14.339 -12.414 3.900 1.00 0.00 O ATOM 72 CB GLN A 5 -17.437 -11.179 3.927 1.00 0.00 C ATOM 73 CG GLN A 5 -18.918 -11.318 3.517 1.00 0.00 C ATOM 74 CD GLN A 5 -19.919 -11.468 4.665 1.00 0.00 C ATOM 75 OE1 GLN A 5 -19.604 -11.398 5.847 1.00 0.00 O ATOM 76 NE2 GLN A 5 -21.177 -11.701 4.328 1.00 0.00 N ATOM 0 H GLN A 5 -16.967 -13.606 4.337 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.841 -11.808 1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -17.310 -11.489 4.964 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.133 -10.134 3.867 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.196 -10.442 2.930 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.014 -12.184 2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -21.439 -11.759 3.344 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.885 -11.822 5.052 1.00 0.00 H new ATOM 85 N PRO A 6 -14.516 -10.700 2.467 1.00 0.00 N ATOM 86 CA PRO A 6 -13.171 -10.222 2.738 1.00 0.00 C ATOM 87 C PRO A 6 -13.124 -9.544 4.095 1.00 0.00 C ATOM 88 O PRO A 6 -14.152 -9.359 4.756 1.00 0.00 O ATOM 89 CB PRO A 6 -12.842 -9.297 1.565 1.00 0.00 C ATOM 90 CG PRO A 6 -14.204 -8.695 1.222 1.00 0.00 C ATOM 91 CD PRO A 6 -15.171 -9.854 1.477 1.00 0.00 C ATOM 0 HA PRO A 6 -12.425 -11.014 2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.119 -8.531 1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.418 -9.845 0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.433 -7.834 1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.246 -8.356 0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.130 -9.490 1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.371 -10.407 0.559 1.00 0.00 H new ATOM 99 N ILE A 7 -11.912 -9.195 4.510 1.00 0.00 N ATOM 100 CA ILE A 7 -11.619 -8.516 5.751 1.00 0.00 C ATOM 101 C ILE A 7 -12.135 -7.084 5.618 1.00 0.00 C ATOM 102 O ILE A 7 -11.380 -6.172 5.286 1.00 0.00 O ATOM 103 CB ILE A 7 -10.103 -8.621 6.048 1.00 0.00 C ATOM 104 CG1 ILE A 7 -9.644 -10.079 6.298 1.00 0.00 C ATOM 105 CG2 ILE A 7 -9.669 -7.790 7.262 1.00 0.00 C ATOM 106 CD1 ILE A 7 -8.133 -10.236 6.077 1.00 0.00 C ATOM 0 H ILE A 7 -11.075 -9.390 3.961 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.117 -8.970 6.608 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.630 -8.229 5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.897 -10.372 7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.183 -10.751 5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.596 -7.906 7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.898 -6.739 7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.203 -8.133 8.148 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.844 -11.271 6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.886 -9.967 5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.595 -9.582 6.763 1.00 0.00 H new ATOM 118 N ASP A 8 -13.441 -6.913 5.828 1.00 0.00 N ATOM 119 CA ASP A 8 -14.203 -5.666 5.764 1.00 0.00 C ATOM 120 C ASP A 8 -13.905 -4.833 4.507 1.00 0.00 C ATOM 121 O ASP A 8 -14.057 -3.608 4.506 1.00 0.00 O ATOM 122 CB ASP A 8 -14.026 -4.911 7.095 1.00 0.00 C ATOM 123 CG ASP A 8 -15.301 -4.951 7.929 1.00 0.00 C ATOM 124 OD1 ASP A 8 -16.331 -4.413 7.459 1.00 0.00 O ATOM 125 OD2 ASP A 8 -15.244 -5.549 9.031 1.00 0.00 O ATOM 0 H ASP A 8 -14.039 -7.704 6.066 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.262 -5.895 5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.206 -5.353 7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.753 -3.875 6.894 1.00 0.00 H new ATOM 130 N LEU A 9 -13.404 -5.479 3.449 1.00 0.00 N ATOM 131 CA LEU A 9 -12.531 -4.820 2.505 1.00 0.00 C ATOM 132 C LEU A 9 -13.351 -4.224 1.382 1.00 0.00 C ATOM 133 O LEU A 9 -14.148 -4.899 0.723 1.00 0.00 O ATOM 134 CB LEU A 9 -11.427 -5.773 2.018 1.00 0.00 C ATOM 135 CG LEU A 9 -10.109 -4.997 1.850 1.00 0.00 C ATOM 136 CD1 LEU A 9 -8.911 -5.922 1.917 1.00 0.00 C ATOM 137 CD2 LEU A 9 -10.003 -4.287 0.509 1.00 0.00 C ATOM 0 H LEU A 9 -13.595 -6.458 3.235 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.013 -3.996 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.293 -6.585 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.717 -6.226 1.070 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.113 -4.272 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.996 -5.342 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.894 -6.427 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.979 -6.664 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.052 -3.758 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.060 -5.020 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.821 -3.574 0.409 1.00 0.00 H new ATOM 149 N VAL A 10 -13.115 -2.941 1.166 1.00 0.00 N ATOM 150 CA VAL A 10 -13.929 -2.073 0.332 1.00 0.00 C ATOM 151 C VAL A 10 -13.038 -1.450 -0.745 1.00 0.00 C ATOM 152 O VAL A 10 -11.932 -1.007 -0.438 1.00 0.00 O ATOM 153 CB VAL A 10 -14.713 -1.052 1.179 1.00 0.00 C ATOM 154 CG1 VAL A 10 -15.982 -1.692 1.757 1.00 0.00 C ATOM 155 CG2 VAL A 10 -13.926 -0.458 2.351 1.00 0.00 C ATOM 0 H VAL A 10 -12.320 -2.457 1.583 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.701 -2.648 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.942 -0.242 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.522 -0.956 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.618 -2.038 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.708 -2.538 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.556 0.249 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.618 -1.257 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.043 0.057 1.973 1.00 0.00 H new ATOM 165 N PRO A 11 -13.443 -1.447 -2.025 1.00 0.00 N ATOM 166 CA PRO A 11 -12.681 -0.768 -3.060 1.00 0.00 C ATOM 167 C PRO A 11 -12.616 0.740 -2.781 1.00 0.00 C ATOM 168 O PRO A 11 -13.433 1.276 -2.029 1.00 0.00 O ATOM 169 CB PRO A 11 -13.392 -1.051 -4.380 1.00 0.00 C ATOM 170 CG PRO A 11 -14.453 -2.104 -4.057 1.00 0.00 C ATOM 171 CD PRO A 11 -14.703 -1.918 -2.563 1.00 0.00 C ATOM 0 HA PRO A 11 -11.652 -1.126 -3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.847 -0.146 -4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.692 -1.417 -5.132 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.362 -1.948 -4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.100 -3.110 -4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.502 -1.198 -2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.006 -2.854 -2.095 1.00 0.00 H new ATOM 179 N THR A 12 -11.697 1.443 -3.438 1.00 0.00 N ATOM 180 CA THR A 12 -11.711 2.896 -3.552 1.00 0.00 C ATOM 181 C THR A 12 -10.860 3.268 -4.770 1.00 0.00 C ATOM 182 O THR A 12 -10.419 2.393 -5.526 1.00 0.00 O ATOM 183 CB THR A 12 -11.274 3.558 -2.218 1.00 0.00 C ATOM 184 OG1 THR A 12 -11.542 4.948 -2.221 1.00 0.00 O ATOM 185 CG2 THR A 12 -9.782 3.358 -1.916 1.00 0.00 C ATOM 0 H THR A 12 -10.907 1.009 -3.915 1.00 0.00 H new ATOM 0 HA THR A 12 -12.715 3.284 -3.721 1.00 0.00 H new ATOM 0 HB THR A 12 -11.858 3.062 -1.443 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.258 5.338 -1.368 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.534 3.842 -0.971 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.565 2.292 -1.846 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.187 3.797 -2.716 1.00 0.00 H new ATOM 193 N GLN A 13 -10.692 4.562 -5.002 1.00 0.00 N ATOM 194 CA GLN A 13 -9.878 5.136 -6.058 1.00 0.00 C ATOM 195 C GLN A 13 -9.259 6.432 -5.527 1.00 0.00 C ATOM 196 O GLN A 13 -9.796 6.992 -4.567 1.00 0.00 O ATOM 197 CB GLN A 13 -10.720 5.348 -7.320 1.00 0.00 C ATOM 198 CG GLN A 13 -11.915 6.291 -7.150 1.00 0.00 C ATOM 199 CD GLN A 13 -12.379 6.854 -8.491 1.00 0.00 C ATOM 200 OE1 GLN A 13 -12.231 6.227 -9.543 1.00 0.00 O ATOM 201 NE2 GLN A 13 -12.905 8.063 -8.497 1.00 0.00 N ATOM 0 H GLN A 13 -11.144 5.274 -4.428 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.071 4.462 -6.344 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.076 5.740 -8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.086 4.380 -7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.737 5.756 -6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.641 7.110 -6.485 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.023 8.572 -7.621 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.194 8.489 -9.378 1.00 0.00 H new ATOM 210 N PRO A 14 -8.191 6.958 -6.145 1.00 0.00 N ATOM 211 CA PRO A 14 -7.644 8.244 -5.752 1.00 0.00 C ATOM 212 C PRO A 14 -8.599 9.375 -6.138 1.00 0.00 C ATOM 213 O PRO A 14 -9.503 9.211 -6.968 1.00 0.00 O ATOM 214 CB PRO A 14 -6.287 8.344 -6.451 1.00 0.00 C ATOM 215 CG PRO A 14 -6.446 7.462 -7.686 1.00 0.00 C ATOM 216 CD PRO A 14 -7.424 6.380 -7.234 1.00 0.00 C ATOM 0 HA PRO A 14 -7.518 8.333 -4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.052 9.373 -6.722 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.480 7.991 -5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.836 8.026 -8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.493 7.035 -7.999 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.077 6.078 -8.053 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.892 5.487 -6.905 1.00 0.00 H new ATOM 224 N LEU A 15 -8.365 10.531 -5.532 1.00 0.00 N ATOM 225 CA LEU A 15 -9.072 11.787 -5.729 1.00 0.00 C ATOM 226 C LEU A 15 -8.225 12.697 -6.628 1.00 0.00 C ATOM 227 O LEU A 15 -7.038 12.434 -6.845 1.00 0.00 O ATOM 228 CB LEU A 15 -9.399 12.350 -4.336 1.00 0.00 C ATOM 229 CG LEU A 15 -8.194 12.959 -3.596 1.00 0.00 C ATOM 230 CD1 LEU A 15 -8.526 14.384 -3.165 1.00 0.00 C ATOM 231 CD2 LEU A 15 -7.778 12.086 -2.410 1.00 0.00 C ATOM 0 H LEU A 15 -7.622 10.621 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.021 11.677 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.170 13.113 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.819 11.552 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.340 12.996 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.672 14.814 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.753 14.987 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.390 14.371 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.925 12.540 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.610 12.002 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.502 11.094 -2.768 1.00 0.00 H new ATOM 243 N PRO A 16 -8.825 13.753 -7.185 1.00 0.00 N ATOM 244 CA PRO A 16 -8.171 14.624 -8.135 1.00 0.00 C ATOM 245 C PRO A 16 -7.232 15.569 -7.395 1.00 0.00 C ATOM 246 O PRO A 16 -7.387 15.821 -6.198 1.00 0.00 O ATOM 247 CB PRO A 16 -9.313 15.360 -8.832 1.00 0.00 C ATOM 248 CG PRO A 16 -10.427 15.408 -7.786 1.00 0.00 C ATOM 249 CD PRO A 16 -10.130 14.264 -6.833 1.00 0.00 C ATOM 0 HA PRO A 16 -7.553 14.096 -8.861 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.012 16.362 -9.138 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.634 14.835 -9.731 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.434 16.364 -7.263 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.407 15.290 -8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.144 14.609 -5.799 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.886 13.484 -6.919 1.00 0.00 H new ATOM 257 N ASN A 17 -6.266 16.130 -8.124 1.00 0.00 N ATOM 258 CA ASN A 17 -5.207 17.030 -7.648 1.00 0.00 C ATOM 259 C ASN A 17 -4.209 16.336 -6.723 1.00 0.00 C ATOM 260 O ASN A 17 -3.118 16.867 -6.532 1.00 0.00 O ATOM 261 CB ASN A 17 -5.677 18.339 -6.963 1.00 0.00 C ATOM 262 CG ASN A 17 -7.111 18.766 -7.087 1.00 0.00 C ATOM 263 OD1 ASN A 17 -7.740 19.179 -6.118 1.00 0.00 O ATOM 264 ND2 ASN A 17 -7.651 18.685 -8.277 1.00 0.00 N ATOM 0 H ASN A 17 -6.195 15.959 -9.127 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.728 17.318 -8.584 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.454 18.249 -5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.060 19.150 -7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.620 18.970 -8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.102 18.337 -9.063 1.00 0.00 H new ATOM 271 N ALA A 18 -4.572 15.203 -6.114 1.00 0.00 N ATOM 272 CA ALA A 18 -3.709 14.479 -5.194 1.00 0.00 C ATOM 273 C ALA A 18 -2.415 14.101 -5.910 1.00 0.00 C ATOM 274 O ALA A 18 -2.439 13.555 -7.019 1.00 0.00 O ATOM 275 CB ALA A 18 -4.426 13.263 -4.608 1.00 0.00 C ATOM 0 H ALA A 18 -5.482 14.764 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.457 15.120 -4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.757 12.741 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.315 13.590 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.719 12.590 -5.414 1.00 0.00 H new ATOM 281 N SER A 19 -1.295 14.392 -5.260 1.00 0.00 N ATOM 282 CA SER A 19 0.048 14.403 -5.796 1.00 0.00 C ATOM 283 C SER A 19 0.986 13.998 -4.669 1.00 0.00 C ATOM 284 O SER A 19 0.715 14.260 -3.494 1.00 0.00 O ATOM 285 CB SER A 19 0.379 15.804 -6.333 1.00 0.00 C ATOM 286 OG SER A 19 -0.160 16.850 -5.538 1.00 0.00 O ATOM 0 H SER A 19 -1.310 14.644 -4.272 1.00 0.00 H new ATOM 0 HA SER A 19 0.154 13.707 -6.628 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.462 15.919 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.003 15.896 -7.350 1.00 0.00 H new ATOM 0 HG SER A 19 -0.430 16.493 -4.666 1.00 0.00 H new ATOM 292 N PHE A 20 2.047 13.286 -5.026 1.00 0.00 N ATOM 293 CA PHE A 20 2.941 12.670 -4.080 1.00 0.00 C ATOM 294 C PHE A 20 3.629 13.746 -3.250 1.00 0.00 C ATOM 295 O PHE A 20 4.400 14.552 -3.779 1.00 0.00 O ATOM 296 CB PHE A 20 3.953 11.784 -4.825 1.00 0.00 C ATOM 297 CG PHE A 20 5.048 11.176 -3.971 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.763 10.652 -2.695 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.369 11.136 -4.458 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.800 10.144 -1.896 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.401 10.614 -3.662 1.00 0.00 C ATOM 302 CZ PHE A 20 7.120 10.145 -2.368 1.00 0.00 C ATOM 0 H PHE A 20 2.307 13.123 -5.999 1.00 0.00 H new ATOM 0 HA PHE A 20 2.381 12.031 -3.397 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.409 10.976 -5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.419 12.378 -5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.746 10.641 -2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.589 11.508 -5.448 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.580 9.751 -0.914 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.410 10.573 -4.044 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.920 9.786 -1.738 1.00 0.00 H new ATOM 312 N ASP A 21 3.293 13.787 -1.965 1.00 0.00 N ATOM 313 CA ASP A 21 3.958 14.614 -0.974 1.00 0.00 C ATOM 314 C ASP A 21 5.069 13.799 -0.320 1.00 0.00 C ATOM 315 O ASP A 21 5.008 12.574 -0.371 1.00 0.00 O ATOM 316 CB ASP A 21 2.927 15.044 0.071 1.00 0.00 C ATOM 317 CG ASP A 21 3.351 16.327 0.754 1.00 0.00 C ATOM 318 OD1 ASP A 21 3.183 17.388 0.115 1.00 0.00 O ATOM 319 OD2 ASP A 21 3.823 16.269 1.910 1.00 0.00 O ATOM 0 H ASP A 21 2.531 13.231 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 21 4.393 15.500 -1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.957 15.185 -0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.805 14.255 0.813 1.00 0.00 H new ATOM 324 N ASN A 22 6.051 14.444 0.314 1.00 0.00 N ATOM 325 CA ASN A 22 7.331 13.873 0.757 1.00 0.00 C ATOM 326 C ASN A 22 7.226 12.865 1.915 1.00 0.00 C ATOM 327 O ASN A 22 8.167 12.719 2.704 1.00 0.00 O ATOM 328 CB ASN A 22 8.332 15.008 1.088 1.00 0.00 C ATOM 329 CG ASN A 22 9.339 15.230 -0.024 1.00 0.00 C ATOM 330 OD1 ASN A 22 8.979 15.636 -1.126 1.00 0.00 O ATOM 331 ND2 ASN A 22 10.609 14.956 0.231 1.00 0.00 N ATOM 0 H ASN A 22 5.973 15.434 0.546 1.00 0.00 H new ATOM 0 HA ASN A 22 7.701 13.284 -0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.783 15.932 1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.860 14.766 2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.314 15.081 -0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.883 14.620 1.154 1.00 0.00 H new ATOM 338 N PHE A 23 6.110 12.156 2.080 1.00 0.00 N ATOM 339 CA PHE A 23 6.139 10.976 2.918 1.00 0.00 C ATOM 340 C PHE A 23 7.154 9.995 2.345 1.00 0.00 C ATOM 341 O PHE A 23 7.270 9.804 1.134 1.00 0.00 O ATOM 342 CB PHE A 23 4.756 10.334 3.100 1.00 0.00 C ATOM 343 CG PHE A 23 4.110 9.701 1.879 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.579 8.474 1.367 1.00 0.00 C ATOM 345 CD2 PHE A 23 2.976 10.298 1.301 1.00 0.00 C ATOM 346 CE1 PHE A 23 3.936 7.865 0.276 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.287 9.648 0.265 1.00 0.00 C ATOM 348 CZ PHE A 23 2.741 8.408 -0.220 1.00 0.00 C ATOM 0 H PHE A 23 5.207 12.374 1.658 1.00 0.00 H new ATOM 0 HA PHE A 23 6.444 11.272 3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.840 9.568 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.078 11.098 3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.438 7.999 1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.634 11.259 1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.360 6.982 -0.179 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.405 10.102 -0.162 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.173 7.877 -0.970 1.00 0.00 H new ATOM 358 N LYS A 24 7.843 9.314 3.244 1.00 0.00 N ATOM 359 CA LYS A 24 8.434 8.023 2.982 1.00 0.00 C ATOM 360 C LYS A 24 7.484 7.020 3.599 1.00 0.00 C ATOM 361 O LYS A 24 6.739 7.340 4.537 1.00 0.00 O ATOM 362 CB LYS A 24 9.810 7.994 3.636 1.00 0.00 C ATOM 363 CG LYS A 24 10.673 6.775 3.351 1.00 0.00 C ATOM 364 CD LYS A 24 12.066 6.879 3.984 1.00 0.00 C ATOM 365 CE LYS A 24 12.607 5.476 4.261 1.00 0.00 C ATOM 366 NZ LYS A 24 12.926 4.728 3.023 1.00 0.00 N ATOM 0 H LYS A 24 8.008 9.653 4.192 1.00 0.00 H new ATOM 0 HA LYS A 24 8.573 7.802 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.357 8.881 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.676 8.072 4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.172 5.883 3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.776 6.651 2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.741 7.415 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.014 7.450 4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.504 5.552 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.872 4.916 4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.529 3.769 3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.515 5.221 2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.958 4.669 2.909 1.00 0.00 H new ATOM 380 N LEU A 25 7.562 5.796 3.112 1.00 0.00 N ATOM 381 CA LEU A 25 6.971 4.661 3.802 1.00 0.00 C ATOM 382 C LEU A 25 8.101 3.758 4.278 1.00 0.00 C ATOM 383 O LEU A 25 9.200 3.737 3.722 1.00 0.00 O ATOM 384 CB LEU A 25 5.875 3.964 2.967 1.00 0.00 C ATOM 385 CG LEU A 25 6.129 3.759 1.462 1.00 0.00 C ATOM 386 CD1 LEU A 25 7.241 2.746 1.196 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.870 3.237 0.775 1.00 0.00 C ATOM 0 H LEU A 25 8.031 5.560 2.237 1.00 0.00 H new ATOM 0 HA LEU A 25 6.421 4.992 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.690 2.985 3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.957 4.541 3.074 1.00 0.00 H new ATOM 0 HG LEU A 25 6.421 4.732 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.383 2.636 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.168 3.096 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.966 1.783 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.067 3.098 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.582 2.284 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.061 3.956 0.903 1.00 0.00 H new ATOM 399 N THR A 26 7.847 3.024 5.336 1.00 0.00 N ATOM 400 CA THR A 26 8.749 2.100 5.974 1.00 0.00 C ATOM 401 C THR A 26 7.901 0.853 6.230 1.00 0.00 C ATOM 402 O THR A 26 6.671 0.888 6.129 1.00 0.00 O ATOM 403 CB THR A 26 9.386 2.766 7.215 1.00 0.00 C ATOM 404 OG1 THR A 26 8.469 2.997 8.251 1.00 0.00 O ATOM 405 CG2 THR A 26 10.078 4.095 6.879 1.00 0.00 C ATOM 0 H THR A 26 6.942 3.061 5.804 1.00 0.00 H new ATOM 0 HA THR A 26 9.615 1.810 5.380 1.00 0.00 H new ATOM 0 HB THR A 26 10.128 2.044 7.556 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.703 3.499 7.904 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.508 4.521 7.786 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.869 3.919 6.150 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.349 4.790 6.463 1.00 0.00 H new ATOM 413 N CYS A 27 8.508 -0.298 6.474 1.00 0.00 N ATOM 414 CA CYS A 27 7.793 -1.552 6.647 1.00 0.00 C ATOM 415 C CYS A 27 8.793 -2.523 7.270 1.00 0.00 C ATOM 416 O CYS A 27 9.994 -2.359 7.053 1.00 0.00 O ATOM 417 CB CYS A 27 7.375 -2.133 5.283 1.00 0.00 C ATOM 418 SG CYS A 27 6.634 -1.075 3.992 1.00 0.00 S ATOM 0 H CYS A 27 9.520 -0.388 6.558 1.00 0.00 H new ATOM 0 HA CYS A 27 6.901 -1.399 7.255 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.262 -2.593 4.847 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.665 -2.936 5.483 1.00 0.00 H new ATOM 0 HG CYS A 27 6.327 0.081 4.502 1.00 0.00 H new ATOM 424 N SER A 28 8.324 -3.579 7.935 1.00 0.00 N ATOM 425 CA SER A 28 9.182 -4.618 8.505 1.00 0.00 C ATOM 426 C SER A 28 10.157 -5.175 7.464 1.00 0.00 C ATOM 427 O SER A 28 11.377 -5.087 7.629 1.00 0.00 O ATOM 428 CB SER A 28 8.309 -5.726 9.102 1.00 0.00 C ATOM 429 OG SER A 28 7.139 -5.207 9.717 1.00 0.00 O ATOM 0 H SER A 28 7.329 -3.739 8.095 1.00 0.00 H new ATOM 0 HA SER A 28 9.788 -4.178 9.297 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.026 -6.427 8.317 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.887 -6.287 9.837 1.00 0.00 H new ATOM 0 HG SER A 28 6.608 -5.944 10.084 1.00 0.00 H new ATOM 435 N ASN A 29 9.618 -5.714 6.367 1.00 0.00 N ATOM 436 CA ASN A 29 10.435 -6.230 5.280 1.00 0.00 C ATOM 437 C ASN A 29 11.083 -5.045 4.567 1.00 0.00 C ATOM 438 O ASN A 29 10.391 -4.188 4.011 1.00 0.00 O ATOM 439 CB ASN A 29 9.615 -7.092 4.314 1.00 0.00 C ATOM 440 CG ASN A 29 10.500 -7.627 3.189 1.00 0.00 C ATOM 441 OD1 ASN A 29 11.063 -6.878 2.407 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.670 -8.925 3.074 1.00 0.00 N ATOM 0 H ASN A 29 8.613 -5.802 6.214 1.00 0.00 H new ATOM 0 HA ASN A 29 11.209 -6.884 5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.162 -7.923 4.854 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.800 -6.503 3.894 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.268 -9.298 2.336 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.204 -9.560 3.722 1.00 0.00 H new ATOM 449 N THR A 30 12.409 -5.009 4.608 1.00 0.00 N ATOM 450 CA THR A 30 13.247 -3.983 4.013 1.00 0.00 C ATOM 451 C THR A 30 12.985 -3.800 2.516 1.00 0.00 C ATOM 452 O THR A 30 12.731 -2.671 2.092 1.00 0.00 O ATOM 453 CB THR A 30 14.713 -4.341 4.296 1.00 0.00 C ATOM 454 OG1 THR A 30 14.943 -5.733 4.162 1.00 0.00 O ATOM 455 CG2 THR A 30 15.095 -3.938 5.717 1.00 0.00 C ATOM 0 H THR A 30 12.953 -5.731 5.081 1.00 0.00 H new ATOM 0 HA THR A 30 13.005 -3.021 4.464 1.00 0.00 H new ATOM 0 HB THR A 30 15.318 -3.800 3.568 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.885 -5.928 4.347 1.00 0.00 H new ATOM 0 HG21 THR A 30 16.137 -4.199 5.901 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.963 -2.863 5.838 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.458 -4.464 6.428 1.00 0.00 H new ATOM 463 N LYS A 31 13.039 -4.873 1.714 1.00 0.00 N ATOM 464 CA LYS A 31 12.795 -4.811 0.272 1.00 0.00 C ATOM 465 C LYS A 31 11.397 -4.278 -0.003 1.00 0.00 C ATOM 466 O LYS A 31 11.260 -3.446 -0.887 1.00 0.00 O ATOM 467 CB LYS A 31 13.013 -6.183 -0.396 1.00 0.00 C ATOM 468 CG LYS A 31 12.527 -6.271 -1.863 1.00 0.00 C ATOM 469 CD LYS A 31 13.193 -5.299 -2.851 1.00 0.00 C ATOM 470 CE LYS A 31 14.680 -5.588 -3.061 1.00 0.00 C ATOM 471 NZ LYS A 31 15.266 -4.686 -4.074 1.00 0.00 N ATOM 0 H LYS A 31 13.254 -5.811 2.052 1.00 0.00 H new ATOM 0 HA LYS A 31 13.517 -4.123 -0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.076 -6.423 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.497 -6.944 0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.690 -7.288 -2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.451 -6.096 -1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.678 -5.355 -3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.075 -4.279 -2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.212 -5.472 -2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.810 -6.624 -3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.275 -4.907 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.773 -4.816 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.163 -3.699 -3.762 1.00 0.00 H new ATOM 485 N PHE A 32 10.375 -4.731 0.719 1.00 0.00 N ATOM 486 CA PHE A 32 8.999 -4.298 0.510 1.00 0.00 C ATOM 487 C PHE A 32 8.914 -2.773 0.563 1.00 0.00 C ATOM 488 O PHE A 32 8.444 -2.144 -0.384 1.00 0.00 O ATOM 489 CB PHE A 32 8.113 -4.938 1.584 1.00 0.00 C ATOM 490 CG PHE A 32 6.623 -4.891 1.310 1.00 0.00 C ATOM 491 CD1 PHE A 32 6.099 -5.648 0.252 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.751 -4.139 2.117 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.718 -5.660 -0.003 1.00 0.00 C ATOM 494 CE2 PHE A 32 4.368 -4.142 1.856 1.00 0.00 C ATOM 495 CZ PHE A 32 3.846 -4.911 0.803 1.00 0.00 C ATOM 0 H PHE A 32 10.481 -5.413 1.470 1.00 0.00 H new ATOM 0 HA PHE A 32 8.652 -4.615 -0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.411 -5.980 1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.306 -4.441 2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.763 -6.227 -0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.143 -3.558 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.326 -6.247 -0.821 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.705 -3.550 2.469 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.783 -4.926 0.615 1.00 0.00 H new ATOM 505 N ALA A 33 9.419 -2.185 1.651 1.00 0.00 N ATOM 506 CA ALA A 33 9.422 -0.746 1.860 1.00 0.00 C ATOM 507 C ALA A 33 10.298 -0.018 0.833 1.00 0.00 C ATOM 508 O ALA A 33 10.023 1.124 0.471 1.00 0.00 O ATOM 509 CB ALA A 33 9.930 -0.481 3.280 1.00 0.00 C ATOM 0 H ALA A 33 9.842 -2.708 2.418 1.00 0.00 H new ATOM 0 HA ALA A 33 8.410 -0.362 1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.944 0.593 3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.270 -0.966 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.939 -0.881 3.386 1.00 0.00 H new ATOM 515 N ASP A 34 11.376 -0.654 0.389 1.00 0.00 N ATOM 516 CA ASP A 34 12.359 -0.073 -0.527 1.00 0.00 C ATOM 517 C ASP A 34 11.785 0.000 -1.940 1.00 0.00 C ATOM 518 O ASP A 34 11.773 1.081 -2.526 1.00 0.00 O ATOM 519 CB ASP A 34 13.643 -0.916 -0.488 1.00 0.00 C ATOM 520 CG ASP A 34 14.828 -0.281 -1.202 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.805 -0.105 -2.434 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.879 -0.077 -0.547 1.00 0.00 O ATOM 0 H ASP A 34 11.599 -1.612 0.661 1.00 0.00 H new ATOM 0 HA ASP A 34 12.599 0.944 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.914 -1.097 0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.440 -1.888 -0.938 1.00 0.00 H new ATOM 527 N ASP A 35 11.254 -1.117 -2.443 1.00 0.00 N ATOM 528 CA ASP A 35 10.647 -1.282 -3.764 1.00 0.00 C ATOM 529 C ASP A 35 9.404 -0.395 -3.898 1.00 0.00 C ATOM 530 O ASP A 35 9.202 0.253 -4.925 1.00 0.00 O ATOM 531 CB ASP A 35 10.378 -2.769 -4.042 1.00 0.00 C ATOM 532 CG ASP A 35 10.465 -3.128 -5.533 1.00 0.00 C ATOM 533 OD1 ASP A 35 9.883 -2.429 -6.392 1.00 0.00 O ATOM 534 OD2 ASP A 35 11.153 -4.113 -5.895 1.00 0.00 O ATOM 0 H ASP A 35 11.236 -1.983 -1.905 1.00 0.00 H new ATOM 0 HA ASP A 35 11.341 -0.946 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.096 -3.372 -3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.387 -3.029 -3.669 1.00 0.00 H new ATOM 539 N LEU A 36 8.617 -0.276 -2.821 1.00 0.00 N ATOM 540 CA LEU A 36 7.503 0.667 -2.723 1.00 0.00 C ATOM 541 C LEU A 36 7.977 2.116 -2.829 1.00 0.00 C ATOM 542 O LEU A 36 7.434 2.885 -3.626 1.00 0.00 O ATOM 543 CB LEU A 36 6.749 0.476 -1.398 1.00 0.00 C ATOM 544 CG LEU A 36 5.709 -0.653 -1.393 1.00 0.00 C ATOM 545 CD1 LEU A 36 5.144 -0.822 0.024 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.570 -0.325 -2.366 1.00 0.00 C ATOM 0 H LEU A 36 8.741 -0.842 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 36 6.834 0.461 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.476 0.281 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.248 1.411 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 36 6.188 -1.580 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.405 -1.624 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.953 -1.070 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.672 0.108 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.838 -1.132 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.089 0.605 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.972 -0.214 -3.373 1.00 0.00 H new ATOM 558 N ASN A 37 8.986 2.507 -2.041 1.00 0.00 N ATOM 559 CA ASN A 37 9.531 3.865 -2.069 1.00 0.00 C ATOM 560 C ASN A 37 10.097 4.190 -3.459 1.00 0.00 C ATOM 561 O ASN A 37 10.069 5.342 -3.901 1.00 0.00 O ATOM 562 CB ASN A 37 10.639 3.998 -1.011 1.00 0.00 C ATOM 563 CG ASN A 37 10.169 4.412 0.372 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.418 5.359 0.568 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.645 3.712 1.387 1.00 0.00 N ATOM 0 H ASN A 37 9.445 1.892 -1.369 1.00 0.00 H new ATOM 0 HA ASN A 37 8.729 4.569 -1.847 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.158 3.043 -0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.368 4.728 -1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.387 3.959 2.342 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.270 2.925 1.215 1.00 0.00 H new ATOM 572 N GLN A 38 10.609 3.172 -4.151 1.00 0.00 N ATOM 573 CA GLN A 38 11.180 3.254 -5.479 1.00 0.00 C ATOM 574 C GLN A 38 10.103 3.649 -6.482 1.00 0.00 C ATOM 575 O GLN A 38 10.356 4.516 -7.317 1.00 0.00 O ATOM 576 CB GLN A 38 11.810 1.896 -5.832 1.00 0.00 C ATOM 577 CG GLN A 38 13.327 1.960 -6.025 1.00 0.00 C ATOM 578 CD GLN A 38 13.692 2.315 -7.462 1.00 0.00 C ATOM 579 OE1 GLN A 38 13.113 3.218 -8.057 1.00 0.00 O ATOM 580 NE2 GLN A 38 14.612 1.595 -8.076 1.00 0.00 N ATOM 0 H GLN A 38 10.634 2.224 -3.774 1.00 0.00 H new ATOM 0 HA GLN A 38 11.957 4.018 -5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.582 1.182 -5.041 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.351 1.518 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.750 2.701 -5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.769 0.999 -5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.090 0.845 -7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.845 1.788 -9.050 1.00 0.00 H new ATOM 589 N MET A 39 8.908 3.058 -6.389 1.00 0.00 N ATOM 590 CA MET A 39 7.844 3.300 -7.346 1.00 0.00 C ATOM 591 C MET A 39 7.509 4.781 -7.402 1.00 0.00 C ATOM 592 O MET A 39 7.504 5.386 -8.475 1.00 0.00 O ATOM 593 CB MET A 39 6.600 2.496 -6.964 1.00 0.00 C ATOM 594 CG MET A 39 6.829 1.004 -7.171 1.00 0.00 C ATOM 595 SD MET A 39 5.885 -0.122 -6.106 1.00 0.00 S ATOM 596 CE MET A 39 4.210 0.542 -6.237 1.00 0.00 C ATOM 0 H MET A 39 8.660 2.402 -5.648 1.00 0.00 H new ATOM 0 HA MET A 39 8.184 2.981 -8.331 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.345 2.687 -5.922 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.752 2.824 -7.565 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.597 0.765 -8.209 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.890 0.799 -7.026 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.804 0.706 -5.239 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.235 1.488 -6.778 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.579 -0.166 -6.773 1.00 0.00 H new ATOM 606 N THR A 40 7.199 5.361 -6.246 1.00 0.00 N ATOM 607 CA THR A 40 6.791 6.744 -6.166 1.00 0.00 C ATOM 608 C THR A 40 7.923 7.709 -6.544 1.00 0.00 C ATOM 609 O THR A 40 7.627 8.718 -7.184 1.00 0.00 O ATOM 610 CB THR A 40 6.174 6.978 -4.787 1.00 0.00 C ATOM 611 OG1 THR A 40 5.543 8.233 -4.728 1.00 0.00 O ATOM 612 CG2 THR A 40 7.113 6.771 -3.598 1.00 0.00 C ATOM 0 H THR A 40 7.226 4.881 -5.347 1.00 0.00 H new ATOM 0 HA THR A 40 6.026 6.962 -6.911 1.00 0.00 H new ATOM 0 HB THR A 40 5.430 6.188 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.187 8.909 -4.429 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.573 6.963 -2.671 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.480 5.745 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.956 7.458 -3.676 1.00 0.00 H new ATOM 620 N GLY A 41 9.186 7.404 -6.220 1.00 0.00 N ATOM 621 CA GLY A 41 10.315 8.302 -6.466 1.00 0.00 C ATOM 622 C GLY A 41 10.897 8.919 -5.194 1.00 0.00 C ATOM 623 O GLY A 41 11.668 9.874 -5.280 1.00 0.00 O ATOM 0 H GLY A 41 9.452 6.524 -5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.100 7.751 -6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.993 9.102 -7.133 1.00 0.00 H new ATOM 627 N PHE A 42 10.526 8.394 -4.021 1.00 0.00 N ATOM 628 CA PHE A 42 10.729 8.995 -2.707 1.00 0.00 C ATOM 629 C PHE A 42 12.160 9.546 -2.497 1.00 0.00 C ATOM 630 O PHE A 42 13.156 8.935 -2.906 1.00 0.00 O ATOM 631 CB PHE A 42 10.311 7.966 -1.636 1.00 0.00 C ATOM 632 CG PHE A 42 11.042 8.186 -0.343 1.00 0.00 C ATOM 633 CD1 PHE A 42 10.739 9.308 0.447 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.192 7.421 -0.082 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.675 9.761 1.380 1.00 0.00 C ATOM 636 CE2 PHE A 42 13.077 7.823 0.920 1.00 0.00 C ATOM 637 CZ PHE A 42 12.853 9.035 1.595 1.00 0.00 C ATOM 0 H PHE A 42 10.052 7.492 -3.965 1.00 0.00 H new ATOM 0 HA PHE A 42 10.099 9.880 -2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.237 8.035 -1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.511 6.959 -2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.792 9.815 0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.390 6.527 -0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.490 10.669 1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.927 7.207 1.174 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.595 9.409 2.285 1.00 0.00 H new ATOM 647 N THR A 43 12.271 10.687 -1.807 1.00 0.00 N ATOM 648 CA THR A 43 13.482 11.454 -1.572 1.00 0.00 C ATOM 649 C THR A 43 13.431 12.040 -0.163 1.00 0.00 C ATOM 650 O THR A 43 12.419 12.603 0.258 1.00 0.00 O ATOM 651 CB THR A 43 13.538 12.583 -2.622 1.00 0.00 C ATOM 652 OG1 THR A 43 13.153 12.168 -3.923 1.00 0.00 O ATOM 653 CG2 THR A 43 14.939 13.150 -2.740 1.00 0.00 C ATOM 0 H THR A 43 11.457 11.121 -1.372 1.00 0.00 H new ATOM 0 HA THR A 43 14.369 10.827 -1.658 1.00 0.00 H new ATOM 0 HB THR A 43 12.830 13.329 -2.261 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.209 12.928 -4.539 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.949 13.944 -3.487 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.250 13.554 -1.777 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.627 12.360 -3.041 1.00 0.00 H new ATOM 661 N LYS A 44 14.525 11.908 0.588 1.00 0.00 N ATOM 662 CA LYS A 44 14.676 12.559 1.873 1.00 0.00 C ATOM 663 C LYS A 44 14.965 14.053 1.689 1.00 0.00 C ATOM 664 O LYS A 44 15.388 14.473 0.608 1.00 0.00 O ATOM 665 CB LYS A 44 15.788 11.875 2.692 1.00 0.00 C ATOM 666 CG LYS A 44 15.240 10.866 3.712 1.00 0.00 C ATOM 667 CD LYS A 44 15.995 10.856 5.046 1.00 0.00 C ATOM 668 CE LYS A 44 15.470 9.725 5.938 1.00 0.00 C ATOM 669 NZ LYS A 44 16.207 9.624 7.214 1.00 0.00 N ATOM 0 H LYS A 44 15.329 11.343 0.314 1.00 0.00 H new ATOM 0 HA LYS A 44 13.741 12.465 2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.471 11.364 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.368 12.635 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.190 11.090 3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.279 9.867 3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.062 10.724 4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.872 11.815 5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.413 9.890 6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.546 8.779 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.815 8.845 7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.212 9.439 7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.114 10.516 7.740 1.00 0.00 H new ATOM 683 N PRO A 45 14.845 14.839 2.766 1.00 0.00 N ATOM 684 CA PRO A 45 14.277 14.403 4.030 1.00 0.00 C ATOM 685 C PRO A 45 12.796 14.089 3.844 1.00 0.00 C ATOM 686 O PRO A 45 12.088 14.813 3.140 1.00 0.00 O ATOM 687 CB PRO A 45 14.463 15.551 5.005 1.00 0.00 C ATOM 688 CG PRO A 45 15.507 16.452 4.345 1.00 0.00 C ATOM 689 CD PRO A 45 15.296 16.212 2.854 1.00 0.00 C ATOM 0 HA PRO A 45 14.762 13.500 4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.527 16.085 5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 45 14.804 15.194 5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.357 17.499 4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.518 16.188 4.655 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.557 16.899 2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.219 16.363 2.294 1.00 0.00 H new ATOM 697 N ALA A 46 12.351 12.959 4.394 1.00 0.00 N ATOM 698 CA ALA A 46 10.953 12.612 4.320 1.00 0.00 C ATOM 699 C ALA A 46 10.213 13.451 5.357 1.00 0.00 C ATOM 700 O ALA A 46 10.638 13.488 6.515 1.00 0.00 O ATOM 701 CB ALA A 46 10.775 11.126 4.600 1.00 0.00 C ATOM 0 H ALA A 46 12.937 12.285 4.886 1.00 0.00 H new ATOM 0 HA ALA A 46 10.554 12.813 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.717 10.869 4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.329 10.548 3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.151 10.896 5.597 1.00 0.00 H new ATOM 707 N SER A 47 9.117 14.085 4.966 1.00 0.00 N ATOM 708 CA SER A 47 8.301 14.895 5.859 1.00 0.00 C ATOM 709 C SER A 47 7.646 14.008 6.935 1.00 0.00 C ATOM 710 O SER A 47 7.437 14.447 8.075 1.00 0.00 O ATOM 711 CB SER A 47 7.284 15.665 5.008 1.00 0.00 C ATOM 712 OG SER A 47 6.877 16.881 5.607 1.00 0.00 O ATOM 0 H SER A 47 8.765 14.051 4.009 1.00 0.00 H new ATOM 0 HA SER A 47 8.909 15.620 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.719 15.874 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.409 15.037 4.839 1.00 0.00 H new ATOM 0 HG SER A 47 6.231 17.333 5.024 1.00 0.00 H new ATOM 718 N ARG A 48 7.400 12.730 6.619 1.00 0.00 N ATOM 719 CA ARG A 48 7.032 11.696 7.581 1.00 0.00 C ATOM 720 C ARG A 48 7.585 10.345 7.146 1.00 0.00 C ATOM 721 O ARG A 48 7.898 10.164 5.971 1.00 0.00 O ATOM 722 CB ARG A 48 5.511 11.690 7.779 1.00 0.00 C ATOM 723 CG ARG A 48 4.705 11.228 6.560 1.00 0.00 C ATOM 724 CD ARG A 48 3.998 9.888 6.777 1.00 0.00 C ATOM 725 NE ARG A 48 3.108 9.878 7.956 1.00 0.00 N ATOM 726 CZ ARG A 48 2.047 10.666 8.189 1.00 0.00 C ATOM 727 NH1 ARG A 48 1.578 11.507 7.272 1.00 0.00 N ATOM 728 NH2 ARG A 48 1.454 10.589 9.370 1.00 0.00 N ATOM 0 H ARG A 48 7.454 12.383 5.661 1.00 0.00 H new ATOM 0 HA ARG A 48 7.480 11.913 8.551 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.271 11.042 8.622 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.190 12.696 8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.963 11.987 6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.372 11.145 5.702 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.415 9.645 5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.747 9.104 6.890 1.00 0.00 H new ATOM 0 HE ARG A 48 3.326 9.191 8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.027 11.567 6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.769 12.092 7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.806 9.942 10.076 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.646 11.176 9.574 1.00 0.00 H new ATOM 742 N GLU A 49 7.658 9.386 8.066 1.00 0.00 N ATOM 743 CA GLU A 49 7.952 7.984 7.791 1.00 0.00 C ATOM 744 C GLU A 49 6.799 7.189 8.407 1.00 0.00 C ATOM 745 O GLU A 49 6.762 6.960 9.615 1.00 0.00 O ATOM 746 CB GLU A 49 9.357 7.542 8.274 1.00 0.00 C ATOM 747 CG GLU A 49 10.473 8.379 7.628 1.00 0.00 C ATOM 748 CD GLU A 49 11.901 7.802 7.524 1.00 0.00 C ATOM 749 OE1 GLU A 49 12.181 6.604 7.733 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.818 8.594 7.211 1.00 0.00 O ATOM 0 H GLU A 49 7.509 9.572 9.058 1.00 0.00 H new ATOM 0 HA GLU A 49 8.010 7.798 6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.414 7.635 9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.508 6.489 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.149 8.629 6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.540 9.315 8.182 1.00 0.00 H new ATOM 757 N LEU A 50 5.806 6.865 7.577 1.00 0.00 N ATOM 758 CA LEU A 50 4.727 5.933 7.906 1.00 0.00 C ATOM 759 C LEU A 50 5.295 4.519 7.848 1.00 0.00 C ATOM 760 O LEU A 50 6.136 4.285 6.990 1.00 0.00 O ATOM 761 CB LEU A 50 3.494 6.264 7.057 1.00 0.00 C ATOM 762 CG LEU A 50 3.423 5.786 5.614 1.00 0.00 C ATOM 763 CD1 LEU A 50 3.332 4.272 5.659 1.00 0.00 C ATOM 764 CD2 LEU A 50 2.186 6.446 4.981 1.00 0.00 C ATOM 0 H LEU A 50 5.728 7.252 6.637 1.00 0.00 H new ATOM 0 HA LEU A 50 4.346 6.026 8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.624 5.863 7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.387 7.349 7.047 1.00 0.00 H new ATOM 0 HG LEU A 50 4.291 6.056 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.279 3.880 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.214 3.869 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.438 3.977 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.096 6.130 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.293 6.147 5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.291 7.530 5.022 1.00 0.00 H new ATOM 776 N SER A 51 4.832 3.580 8.683 1.00 0.00 N ATOM 777 CA SER A 51 5.285 2.188 8.633 1.00 0.00 C ATOM 778 C SER A 51 4.137 1.268 8.228 1.00 0.00 C ATOM 779 O SER A 51 2.981 1.564 8.548 1.00 0.00 O ATOM 780 CB SER A 51 5.882 1.774 9.982 1.00 0.00 C ATOM 781 OG SER A 51 6.526 0.505 9.918 1.00 0.00 O ATOM 0 H SER A 51 4.137 3.764 9.407 1.00 0.00 H new ATOM 0 HA SER A 51 6.066 2.098 7.878 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.599 2.528 10.307 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.092 1.741 10.732 1.00 0.00 H new ATOM 0 HG SER A 51 6.894 0.280 10.798 1.00 0.00 H new ATOM 787 N VAL A 52 4.448 0.116 7.614 1.00 0.00 N ATOM 788 CA VAL A 52 3.447 -0.895 7.308 1.00 0.00 C ATOM 789 C VAL A 52 3.630 -2.070 8.269 1.00 0.00 C ATOM 790 O VAL A 52 4.763 -2.365 8.668 1.00 0.00 O ATOM 791 CB VAL A 52 3.655 -1.304 5.841 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.843 -2.524 5.394 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.380 -0.153 4.858 1.00 0.00 C ATOM 0 H VAL A 52 5.393 -0.131 7.322 1.00 0.00 H new ATOM 0 HA VAL A 52 2.428 -0.528 7.433 1.00 0.00 H new ATOM 0 HB VAL A 52 4.710 -1.576 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.054 -2.738 4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.117 -3.386 6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.780 -2.317 5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.543 -0.499 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.348 0.181 4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.054 0.677 5.071 1.00 0.00 H new ATOM 803 N THR A 53 2.546 -2.787 8.575 1.00 0.00 N ATOM 804 CA THR A 53 2.585 -4.116 9.177 1.00 0.00 C ATOM 805 C THR A 53 1.701 -5.051 8.340 1.00 0.00 C ATOM 806 O THR A 53 0.704 -4.620 7.756 1.00 0.00 O ATOM 807 CB THR A 53 2.184 -4.054 10.668 1.00 0.00 C ATOM 808 OG1 THR A 53 0.914 -3.474 10.878 1.00 0.00 O ATOM 809 CG2 THR A 53 3.151 -3.247 11.540 1.00 0.00 C ATOM 0 H THR A 53 1.598 -2.450 8.406 1.00 0.00 H new ATOM 0 HA THR A 53 3.598 -4.517 9.169 1.00 0.00 H new ATOM 0 HB THR A 53 2.194 -5.105 10.957 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.714 -3.463 11.837 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.800 -3.251 12.572 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.144 -3.695 11.492 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.198 -2.220 11.177 1.00 0.00 H new ATOM 817 N PHE A 54 2.094 -6.324 8.245 1.00 0.00 N ATOM 818 CA PHE A 54 1.320 -7.357 7.570 1.00 0.00 C ATOM 819 C PHE A 54 0.252 -7.828 8.542 1.00 0.00 C ATOM 820 O PHE A 54 0.607 -8.175 9.674 1.00 0.00 O ATOM 821 CB PHE A 54 2.231 -8.536 7.184 1.00 0.00 C ATOM 822 CG PHE A 54 3.411 -8.161 6.309 1.00 0.00 C ATOM 823 CD1 PHE A 54 3.186 -7.509 5.087 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.728 -8.453 6.712 1.00 0.00 C ATOM 825 CE1 PHE A 54 4.269 -7.110 4.284 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.816 -8.047 5.916 1.00 0.00 C ATOM 827 CZ PHE A 54 5.585 -7.371 4.702 1.00 0.00 C ATOM 0 H PHE A 54 2.970 -6.665 8.641 1.00 0.00 H new ATOM 0 HA PHE A 54 0.870 -6.964 6.658 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.605 -9.003 8.095 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.633 -9.285 6.664 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.175 -7.313 4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.904 -8.989 7.633 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.090 -6.604 3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.827 -8.254 6.236 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.419 -7.054 4.093 1.00 0.00 H new ATOM 837 N PHE A 55 -1.010 -7.901 8.106 1.00 0.00 N ATOM 838 CA PHE A 55 -2.086 -8.433 8.927 1.00 0.00 C ATOM 839 C PHE A 55 -1.681 -9.790 9.530 1.00 0.00 C ATOM 840 O PHE A 55 -0.945 -10.547 8.883 1.00 0.00 O ATOM 841 CB PHE A 55 -3.369 -8.591 8.083 1.00 0.00 C ATOM 842 CG PHE A 55 -4.632 -7.940 8.624 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.667 -6.591 9.028 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.801 -8.715 8.738 1.00 0.00 C ATOM 845 CE1 PHE A 55 -5.869 -6.017 9.477 1.00 0.00 C ATOM 846 CE2 PHE A 55 -6.990 -8.148 9.221 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.033 -6.793 9.581 1.00 0.00 C ATOM 0 H PHE A 55 -1.306 -7.594 7.180 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.280 -7.734 9.740 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.175 -8.183 7.091 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.563 -9.656 7.957 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.767 -5.995 8.993 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.783 -9.756 8.451 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.897 -4.971 9.744 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.876 -8.758 9.316 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.953 -6.352 9.935 1.00 0.00 H new ATOM 857 N PRO A 56 -2.247 -10.164 10.686 1.00 0.00 N ATOM 858 CA PRO A 56 -3.173 -9.357 11.464 1.00 0.00 C ATOM 859 C PRO A 56 -2.516 -8.204 12.234 1.00 0.00 C ATOM 860 O PRO A 56 -3.234 -7.472 12.917 1.00 0.00 O ATOM 861 CB PRO A 56 -3.853 -10.348 12.409 1.00 0.00 C ATOM 862 CG PRO A 56 -2.740 -11.356 12.685 1.00 0.00 C ATOM 863 CD PRO A 56 -1.984 -11.424 11.360 1.00 0.00 C ATOM 0 HA PRO A 56 -3.874 -8.847 10.803 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.199 -9.865 13.323 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.722 -10.818 11.948 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.094 -11.028 13.499 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.141 -12.329 12.969 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.916 -11.562 11.527 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.325 -12.267 10.759 1.00 0.00 H new ATOM 871 N ASP A 57 -1.196 -8.004 12.148 1.00 0.00 N ATOM 872 CA ASP A 57 -0.570 -6.838 12.742 1.00 0.00 C ATOM 873 C ASP A 57 -1.015 -5.616 11.960 1.00 0.00 C ATOM 874 O ASP A 57 -0.849 -5.554 10.739 1.00 0.00 O ATOM 875 CB ASP A 57 0.954 -6.894 12.682 1.00 0.00 C ATOM 876 CG ASP A 57 1.621 -7.920 13.572 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.971 -8.439 14.510 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.822 -8.187 13.323 1.00 0.00 O ATOM 0 H ASP A 57 -0.551 -8.636 11.674 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.868 -6.800 13.790 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.249 -7.091 11.651 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.343 -5.910 12.942 1.00 0.00 H new ATOM 883 N LEU A 58 -1.566 -4.630 12.655 1.00 0.00 N ATOM 884 CA LEU A 58 -2.154 -3.439 12.048 1.00 0.00 C ATOM 885 C LEU A 58 -1.830 -2.186 12.859 1.00 0.00 C ATOM 886 O LEU A 58 -2.507 -1.172 12.699 1.00 0.00 O ATOM 887 CB LEU A 58 -3.651 -3.684 11.787 1.00 0.00 C ATOM 888 CG LEU A 58 -4.497 -4.022 13.033 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.146 -2.775 13.622 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.589 -5.032 12.670 1.00 0.00 C ATOM 0 H LEU A 58 -1.619 -4.633 13.674 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.705 -3.245 11.074 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.070 -2.795 11.315 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.748 -4.500 11.071 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.827 -4.450 13.779 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.734 -3.050 14.498 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.372 -2.065 13.913 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.797 -2.317 12.877 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.180 -5.263 13.556 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.237 -4.608 11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.129 -5.945 12.292 1.00 0.00 H new ATOM 902 N ASN A 59 -0.785 -2.224 13.703 1.00 0.00 N ATOM 903 CA ASN A 59 -0.306 -1.028 14.404 1.00 0.00 C ATOM 904 C ASN A 59 0.096 0.027 13.391 1.00 0.00 C ATOM 905 O ASN A 59 -0.290 1.188 13.520 1.00 0.00 O ATOM 906 CB ASN A 59 0.899 -1.305 15.317 1.00 0.00 C ATOM 907 CG ASN A 59 0.444 -1.758 16.686 1.00 0.00 C ATOM 908 OD1 ASN A 59 0.431 -1.006 17.651 1.00 0.00 O ATOM 909 ND2 ASN A 59 0.038 -3.002 16.764 1.00 0.00 N ATOM 0 H ASN A 59 -0.258 -3.072 13.914 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.129 -0.686 15.032 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.533 -2.070 14.868 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.505 -0.404 15.410 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.303 -3.372 17.651 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.063 -3.600 15.938 1.00 0.00 H new ATOM 916 N GLY A 60 0.889 -0.405 12.408 1.00 0.00 N ATOM 917 CA GLY A 60 1.438 0.458 11.366 1.00 0.00 C ATOM 918 C GLY A 60 0.367 1.351 10.735 1.00 0.00 C ATOM 919 O GLY A 60 -0.798 0.952 10.609 1.00 0.00 O ATOM 0 H GLY A 60 1.171 -1.381 12.314 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.226 1.081 11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.899 -0.156 10.593 1.00 0.00 H new ATOM 923 N ASP A 61 0.793 2.532 10.291 1.00 0.00 N ATOM 924 CA ASP A 61 -0.030 3.566 9.667 1.00 0.00 C ATOM 925 C ASP A 61 -0.825 2.996 8.491 1.00 0.00 C ATOM 926 O ASP A 61 -1.988 3.354 8.292 1.00 0.00 O ATOM 927 CB ASP A 61 0.887 4.689 9.147 1.00 0.00 C ATOM 928 CG ASP A 61 0.839 6.002 9.921 1.00 0.00 C ATOM 929 OD1 ASP A 61 0.461 6.047 11.106 1.00 0.00 O ATOM 930 OD2 ASP A 61 1.229 7.044 9.327 1.00 0.00 O ATOM 0 H ASP A 61 1.773 2.808 10.361 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.729 3.950 10.410 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.914 4.324 9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.626 4.892 8.108 1.00 0.00 H new ATOM 935 N VAL A 62 -0.205 2.104 7.715 1.00 0.00 N ATOM 936 CA VAL A 62 -0.738 1.609 6.455 1.00 0.00 C ATOM 937 C VAL A 62 -0.694 0.092 6.482 1.00 0.00 C ATOM 938 O VAL A 62 0.378 -0.500 6.496 1.00 0.00 O ATOM 939 CB VAL A 62 0.055 2.200 5.278 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.445 1.622 3.941 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.049 3.734 5.257 1.00 0.00 C ATOM 0 H VAL A 62 0.701 1.700 7.955 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.774 1.921 6.321 1.00 0.00 H new ATOM 0 HB VAL A 62 1.101 1.926 5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.129 2.053 3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.319 0.539 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.500 1.864 3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.521 4.126 4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.094 4.026 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.352 4.139 6.186 1.00 0.00 H new ATOM 951 N VAL A 63 -1.861 -0.538 6.497 1.00 0.00 N ATOM 952 CA VAL A 63 -1.944 -1.976 6.694 1.00 0.00 C ATOM 953 C VAL A 63 -1.566 -2.695 5.394 1.00 0.00 C ATOM 954 O VAL A 63 -1.771 -2.168 4.302 1.00 0.00 O ATOM 955 CB VAL A 63 -3.352 -2.294 7.234 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.525 -3.777 7.561 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.630 -1.482 8.517 1.00 0.00 C ATOM 0 H VAL A 63 -2.762 -0.075 6.375 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.232 -2.342 7.433 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.055 -2.024 6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.533 -3.951 7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.367 -4.369 6.660 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.798 -4.070 8.319 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.628 -1.717 8.887 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.892 -1.738 9.277 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.567 -0.417 8.294 1.00 0.00 H new ATOM 967 N ALA A 64 -1.052 -3.922 5.477 1.00 0.00 N ATOM 968 CA ALA A 64 -0.806 -4.773 4.321 1.00 0.00 C ATOM 969 C ALA A 64 -1.654 -6.030 4.446 1.00 0.00 C ATOM 970 O ALA A 64 -1.616 -6.703 5.479 1.00 0.00 O ATOM 971 CB ALA A 64 0.688 -5.077 4.216 1.00 0.00 C ATOM 0 H ALA A 64 -0.792 -4.356 6.363 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.093 -4.269 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.870 -5.714 3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.242 -4.145 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.019 -5.589 5.119 1.00 0.00 H new ATOM 977 N ILE A 65 -2.419 -6.328 3.397 1.00 0.00 N ATOM 978 CA ILE A 65 -3.314 -7.466 3.298 1.00 0.00 C ATOM 979 C ILE A 65 -2.700 -8.435 2.271 1.00 0.00 C ATOM 980 O ILE A 65 -1.994 -8.020 1.346 1.00 0.00 O ATOM 981 CB ILE A 65 -4.743 -6.988 2.943 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.318 -6.002 3.994 1.00 0.00 C ATOM 983 CG2 ILE A 65 -5.728 -8.159 2.769 1.00 0.00 C ATOM 984 CD1 ILE A 65 -5.594 -6.583 5.389 1.00 0.00 C ATOM 0 H ILE A 65 -2.428 -5.751 2.556 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.420 -7.996 4.245 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.639 -6.468 1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.621 -5.170 4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.249 -5.590 3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.716 -7.770 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.382 -8.809 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.785 -8.728 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.993 -5.802 6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.319 -7.393 5.309 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.666 -6.967 5.813 1.00 0.00 H new ATOM 996 N ASP A 66 -2.958 -9.730 2.420 1.00 0.00 N ATOM 997 CA ASP A 66 -2.543 -10.753 1.463 1.00 0.00 C ATOM 998 C ASP A 66 -3.319 -10.593 0.152 1.00 0.00 C ATOM 999 O ASP A 66 -4.549 -10.462 0.140 1.00 0.00 O ATOM 1000 CB ASP A 66 -2.763 -12.139 2.084 1.00 0.00 C ATOM 1001 CG ASP A 66 -2.332 -13.335 1.219 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -2.090 -13.213 0.004 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -2.211 -14.446 1.779 1.00 0.00 O ATOM 0 H ASP A 66 -3.468 -10.105 3.220 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.484 -10.641 1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.221 -12.184 3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.822 -12.247 2.319 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.589 -10.659 -0.959 1.00 0.00 N ATOM 1009 CA TYR A 67 -3.055 -10.793 -2.331 1.00 0.00 C ATOM 1010 C TYR A 67 -4.176 -11.830 -2.537 1.00 0.00 C ATOM 1011 O TYR A 67 -4.927 -11.699 -3.504 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.810 -11.144 -3.158 1.00 0.00 C ATOM 1013 CG TYR A 67 -2.044 -11.605 -4.581 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.218 -12.976 -4.855 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -2.033 -10.678 -5.636 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.376 -13.425 -6.177 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.189 -11.116 -6.960 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.358 -12.489 -7.233 1.00 0.00 C ATOM 1019 OH TYR A 67 -2.490 -12.889 -8.524 1.00 0.00 O ATOM 0 H TYR A 67 -1.571 -10.616 -0.915 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.521 -9.858 -2.643 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.163 -10.267 -3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.263 -11.927 -2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.230 -13.687 -4.043 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.904 -9.626 -5.428 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.510 -14.477 -6.383 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.180 -10.402 -7.770 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.455 -12.107 -9.114 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.383 -12.806 -1.644 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.535 -13.717 -1.665 1.00 0.00 C ATOM 1031 C ARG A 68 -6.891 -13.005 -1.688 1.00 0.00 C ATOM 1032 O ARG A 68 -7.898 -13.629 -2.029 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.445 -14.674 -0.464 1.00 0.00 C ATOM 1034 CG ARG A 68 -5.872 -14.068 0.883 1.00 0.00 C ATOM 1035 CD ARG A 68 -5.537 -15.005 2.051 1.00 0.00 C ATOM 1036 NE ARG A 68 -5.952 -14.410 3.330 1.00 0.00 N ATOM 1037 CZ ARG A 68 -5.532 -14.720 4.559 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -4.539 -15.586 4.747 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -6.144 -14.174 5.602 1.00 0.00 N ATOM 0 H ARG A 68 -3.742 -12.988 -0.872 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.484 -14.273 -2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.067 -15.546 -0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.418 -15.028 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.371 -13.111 1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.944 -13.869 0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.038 -15.963 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.466 -15.205 2.068 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.648 -13.667 3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.086 -16.024 3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.231 -15.811 5.693 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.921 -13.530 5.457 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.837 -14.399 6.548 1.00 0.00 H new ATOM 1053 N HIS A 69 -6.943 -11.737 -1.279 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.136 -10.904 -1.326 1.00 0.00 C ATOM 1055 C HIS A 69 -8.200 -10.031 -2.579 1.00 0.00 C ATOM 1056 O HIS A 69 -9.215 -9.367 -2.772 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.146 -9.999 -0.091 1.00 0.00 C ATOM 1058 CG HIS A 69 -8.844 -10.539 1.117 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -9.200 -11.844 1.397 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.170 -9.771 2.195 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -9.732 -11.857 2.630 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -9.718 -10.619 3.145 1.00 0.00 N ATOM 0 H HIS A 69 -6.132 -11.251 -0.896 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.001 -11.566 -1.347 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.114 -9.778 0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.614 -9.053 -0.363 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -9.081 -12.649 0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.028 -8.705 2.291 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.114 -12.734 3.132 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.155 -9.959 -3.409 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.157 -9.110 -4.592 1.00 0.00 C ATOM 1072 C TYR A 70 -8.152 -9.650 -5.617 1.00 0.00 C ATOM 1073 O TYR A 70 -7.803 -10.487 -6.453 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.757 -8.960 -5.201 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.681 -8.116 -6.472 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.622 -7.105 -6.766 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.637 -8.358 -7.381 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -6.471 -6.296 -7.909 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -4.476 -7.560 -8.526 1.00 0.00 C ATOM 1080 CZ TYR A 70 -5.379 -6.506 -8.783 1.00 0.00 C ATOM 1081 OH TYR A 70 -5.201 -5.736 -9.891 1.00 0.00 O ATOM 0 H TYR A 70 -6.292 -10.486 -3.276 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.469 -8.111 -4.288 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.099 -8.518 -4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.367 -9.954 -5.421 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.465 -6.951 -6.109 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.948 -9.169 -7.197 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.188 -5.516 -8.118 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.662 -7.753 -9.209 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.396 -6.029 -10.367 1.00 0.00 H new ATOM 1091 N SER A 71 -9.380 -9.150 -5.542 1.00 0.00 N ATOM 1092 CA SER A 71 -10.428 -9.388 -6.505 1.00 0.00 C ATOM 1093 C SER A 71 -10.394 -8.298 -7.571 1.00 0.00 C ATOM 1094 O SER A 71 -9.904 -7.186 -7.348 1.00 0.00 O ATOM 1095 CB SER A 71 -11.763 -9.442 -5.739 1.00 0.00 C ATOM 1096 OG SER A 71 -12.884 -9.628 -6.581 1.00 0.00 O ATOM 0 H SER A 71 -9.676 -8.545 -4.776 1.00 0.00 H new ATOM 0 HA SER A 71 -10.295 -10.335 -7.027 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.724 -10.254 -5.012 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.889 -8.517 -5.177 1.00 0.00 H new ATOM 0 HG SER A 71 -13.700 -9.656 -6.038 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.008 -8.594 -8.715 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.310 -7.648 -9.774 1.00 0.00 C ATOM 1104 C ALA A 72 -12.129 -6.458 -9.272 1.00 0.00 C ATOM 1105 O ALA A 72 -12.029 -5.391 -9.875 1.00 0.00 O ATOM 1106 CB ALA A 72 -12.049 -8.378 -10.899 1.00 0.00 C ATOM 0 H ALA A 72 -11.319 -9.541 -8.933 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.370 -7.242 -10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.280 -7.675 -11.699 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.419 -9.177 -11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.975 -8.802 -10.511 1.00 0.00 H new ATOM 1112 N SER A 73 -12.871 -6.602 -8.165 1.00 0.00 N ATOM 1113 CA SER A 73 -13.578 -5.499 -7.522 1.00 0.00 C ATOM 1114 C SER A 73 -12.624 -4.419 -6.998 1.00 0.00 C ATOM 1115 O SER A 73 -13.065 -3.294 -6.780 1.00 0.00 O ATOM 1116 CB SER A 73 -14.436 -6.014 -6.358 1.00 0.00 C ATOM 1117 OG SER A 73 -15.128 -7.190 -6.741 1.00 0.00 O ATOM 0 H SER A 73 -12.995 -7.497 -7.691 1.00 0.00 H new ATOM 0 HA SER A 73 -14.213 -5.051 -8.286 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.804 -6.221 -5.495 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.148 -5.247 -6.055 1.00 0.00 H new ATOM 0 HG SER A 73 -15.670 -7.510 -5.990 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.344 -4.736 -6.789 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.325 -3.871 -6.196 1.00 0.00 C ATOM 1125 C PHE A 74 -9.324 -3.387 -7.260 1.00 0.00 C ATOM 1126 O PHE A 74 -8.200 -2.998 -6.939 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.634 -4.646 -5.059 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.533 -5.152 -3.932 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.593 -4.370 -3.430 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.278 -6.407 -3.348 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.390 -4.846 -2.373 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.087 -6.886 -2.302 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.145 -6.109 -1.820 1.00 0.00 C ATOM 0 H PHE A 74 -10.972 -5.651 -7.043 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.787 -2.974 -5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.119 -5.502 -5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.870 -4.002 -4.623 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.794 -3.400 -3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.454 -7.007 -3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.193 -4.236 -1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.891 -7.856 -1.870 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.772 -6.482 -1.023 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.682 -3.434 -8.550 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.802 -3.130 -9.669 1.00 0.00 C ATOM 1145 C LYS A 75 -8.271 -1.697 -9.588 1.00 0.00 C ATOM 1146 O LYS A 75 -7.107 -1.468 -9.917 1.00 0.00 O ATOM 1147 CB LYS A 75 -9.579 -3.463 -10.964 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.427 -2.477 -12.121 1.00 0.00 C ATOM 1149 CD LYS A 75 -8.048 -2.561 -12.778 1.00 0.00 C ATOM 1150 CE LYS A 75 -7.686 -1.190 -13.331 1.00 0.00 C ATOM 1151 NZ LYS A 75 -6.309 -1.166 -13.871 1.00 0.00 N ATOM 0 H LYS A 75 -10.623 -3.694 -8.845 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.898 -3.739 -9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.261 -4.447 -11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.638 -3.539 -10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.196 -2.676 -12.868 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.592 -1.463 -11.756 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.302 -2.884 -12.051 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.055 -3.301 -13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.390 -0.917 -14.117 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.781 -0.443 -12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.097 -0.217 -14.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.635 -1.403 -13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.225 -1.862 -14.639 1.00 0.00 H new ATOM 1165 N LYS A 76 -9.080 -0.722 -9.180 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.658 0.675 -9.057 1.00 0.00 C ATOM 1167 C LYS A 76 -8.226 0.988 -7.622 1.00 0.00 C ATOM 1168 O LYS A 76 -8.064 2.150 -7.254 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.755 1.592 -9.616 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.944 1.299 -11.111 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.725 2.372 -11.859 1.00 0.00 C ATOM 1172 CE LYS A 76 -11.181 1.773 -13.192 1.00 0.00 C ATOM 1173 NZ LYS A 76 -12.198 2.615 -13.856 1.00 0.00 N ATOM 0 H LYS A 76 -10.055 -0.878 -8.923 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.770 0.863 -9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.690 1.429 -9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.482 2.637 -9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.964 1.187 -11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.460 0.345 -11.221 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.584 2.698 -11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.102 3.250 -12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.320 1.656 -13.851 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.590 0.777 -13.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.480 2.175 -14.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.030 2.706 -13.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.800 3.558 -14.042 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.986 -0.051 -6.825 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.514 0.031 -5.466 1.00 0.00 C ATOM 1189 C GLY A 77 -8.625 -0.305 -4.486 1.00 0.00 C ATOM 1190 O GLY A 77 -9.788 -0.501 -4.867 1.00 0.00 O ATOM 0 H GLY A 77 -8.125 -1.013 -7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.679 -0.655 -5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.139 1.035 -5.267 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.250 -0.418 -3.214 1.00 0.00 N ATOM 1195 CA ALA A 78 -9.119 -0.768 -2.120 1.00 0.00 C ATOM 1196 C ALA A 78 -8.529 -0.257 -0.808 1.00 0.00 C ATOM 1197 O ALA A 78 -7.428 0.305 -0.760 1.00 0.00 O ATOM 1198 CB ALA A 78 -9.280 -2.288 -2.100 1.00 0.00 C ATOM 0 H ALA A 78 -7.287 -0.259 -2.917 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.099 -0.307 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.936 -2.574 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.715 -2.620 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.305 -2.755 -1.966 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.281 -0.449 0.264 1.00 0.00 N ATOM 1205 CA LYS A 79 -8.975 -0.040 1.619 1.00 0.00 C ATOM 1206 C LYS A 79 -9.722 -0.981 2.563 1.00 0.00 C ATOM 1207 O LYS A 79 -10.607 -1.723 2.138 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.398 1.425 1.822 1.00 0.00 C ATOM 1209 CG LYS A 79 -10.756 1.787 1.188 1.00 0.00 C ATOM 1210 CD LYS A 79 -11.491 2.868 1.972 1.00 0.00 C ATOM 1211 CE LYS A 79 -12.972 2.941 1.614 1.00 0.00 C ATOM 1212 NZ LYS A 79 -13.718 3.731 2.620 1.00 0.00 N ATOM 0 H LYS A 79 -10.180 -0.927 0.203 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.906 -0.099 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.442 1.633 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.630 2.074 1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.597 2.128 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.379 0.894 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.387 2.673 3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.025 3.834 1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.091 3.393 0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.387 1.935 1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.723 3.768 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.621 3.284 3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.334 4.697 2.657 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.347 -0.964 3.835 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.081 -1.627 4.901 1.00 0.00 C ATOM 1228 C LEU A 80 -11.011 -0.550 5.483 1.00 0.00 C ATOM 1229 O LEU A 80 -11.191 0.501 4.861 1.00 0.00 O ATOM 1230 CB LEU A 80 -9.071 -2.252 5.892 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.413 -3.673 6.382 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -8.274 -4.208 7.263 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -10.726 -3.737 7.162 1.00 0.00 C ATOM 0 H LEU A 80 -8.510 -0.480 4.159 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.698 -2.467 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.090 -2.277 5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.988 -1.598 6.760 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.534 -4.291 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.521 -5.213 7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.351 -4.239 6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.141 -3.553 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.911 -4.763 7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.660 -3.092 8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.544 -3.401 6.525 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.596 -0.804 6.657 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.700 -0.061 7.265 1.00 0.00 C ATOM 1247 C LEU A 81 -12.582 1.445 7.037 1.00 0.00 C ATOM 1248 O LEU A 81 -13.437 2.044 6.384 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.798 -0.390 8.770 1.00 0.00 C ATOM 1250 CG LEU A 81 -14.260 -0.374 9.254 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -14.911 -1.724 8.950 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -14.338 -0.113 10.757 1.00 0.00 C ATOM 0 H LEU A 81 -11.292 -1.582 7.243 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.620 -0.378 6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.361 -1.371 8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.216 0.334 9.341 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.784 0.427 8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.946 -1.714 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.886 -1.906 7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -14.366 -2.515 9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -15.382 -0.107 11.072 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.803 -0.898 11.291 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.886 0.853 10.983 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.504 2.049 7.542 1.00 0.00 N ATOM 1265 CA HIS A 82 -11.156 3.437 7.243 1.00 0.00 C ATOM 1266 C HIS A 82 -9.642 3.660 7.153 1.00 0.00 C ATOM 1267 O HIS A 82 -9.204 4.793 6.942 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.790 4.379 8.274 1.00 0.00 C ATOM 1269 CG HIS A 82 -11.327 4.116 9.681 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -10.285 4.749 10.313 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -11.841 3.193 10.549 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -10.177 4.226 11.539 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -11.080 3.246 11.723 1.00 0.00 N ATOM 0 H HIS A 82 -10.847 1.587 8.171 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.561 3.666 6.257 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.555 5.410 8.008 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.874 4.278 8.230 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -12.682 2.541 10.363 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.461 4.547 12.281 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -11.188 2.660 12.551 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.831 2.609 7.318 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.400 2.657 7.057 1.00 0.00 C ATOM 1283 C LYS A 83 -7.128 2.215 5.620 1.00 0.00 C ATOM 1284 O LYS A 83 -7.947 1.502 5.027 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.669 1.758 8.062 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.500 2.452 9.420 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.077 2.330 9.992 1.00 0.00 C ATOM 1288 CE LYS A 83 -4.798 1.012 10.719 1.00 0.00 C ATOM 1289 NZ LYS A 83 -3.506 1.059 11.443 1.00 0.00 N ATOM 0 H LYS A 83 -9.158 1.698 7.639 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.031 3.676 7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.226 0.830 8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.690 1.489 7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.753 3.507 9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.208 2.024 10.130 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.361 2.440 9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.904 3.155 10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.604 0.805 11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.785 0.193 10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.415 0.217 12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.724 1.080 10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.470 1.914 12.034 1.00 0.00 H new ATOM 1303 N PRO A 84 -5.989 2.618 5.043 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.566 2.149 3.733 1.00 0.00 C ATOM 1305 C PRO A 84 -5.059 0.706 3.848 1.00 0.00 C ATOM 1306 O PRO A 84 -4.751 0.243 4.951 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.469 3.133 3.318 1.00 0.00 C ATOM 1308 CG PRO A 84 -3.831 3.527 4.650 1.00 0.00 C ATOM 1309 CD PRO A 84 -4.961 3.436 5.668 1.00 0.00 C ATOM 0 HA PRO A 84 -6.363 2.123 2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.746 2.670 2.647 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.880 3.998 2.797 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.011 2.857 4.909 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.418 4.535 4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.615 2.986 6.598 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.345 4.425 5.916 1.00 0.00 H new ATOM 1317 N ILE A 85 -4.948 0.004 2.715 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.333 -1.322 2.650 1.00 0.00 C ATOM 1319 C ILE A 85 -3.394 -1.372 1.454 1.00 0.00 C ATOM 1320 O ILE A 85 -3.637 -0.700 0.450 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.368 -2.473 2.582 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.120 -2.523 1.227 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.337 -2.378 3.740 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -5.698 -3.708 0.354 1.00 0.00 C ATOM 0 H ILE A 85 -5.285 0.343 1.814 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.778 -1.476 3.575 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.814 -3.409 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.192 -2.580 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.940 -1.596 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.058 -3.193 3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.789 -2.448 4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.863 -1.424 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.259 -3.689 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.632 -3.640 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.903 -4.640 0.881 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.432 -2.279 1.488 1.00 0.00 N ATOM 1337 CA VAL A 86 -1.615 -2.682 0.348 1.00 0.00 C ATOM 1338 C VAL A 86 -1.759 -4.185 0.137 1.00 0.00 C ATOM 1339 O VAL A 86 -2.372 -4.866 0.961 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.153 -2.221 0.489 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.072 -0.699 0.439 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.586 -2.731 1.726 1.00 0.00 C ATOM 0 H VAL A 86 -2.186 -2.777 2.344 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.976 -2.180 -0.550 1.00 0.00 H new ATOM 0 HB VAL A 86 0.359 -2.673 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.967 -0.386 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.467 -0.345 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.659 -0.276 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.606 -2.346 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.070 -2.390 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.609 -3.821 1.712 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.224 -4.702 -0.970 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.187 -6.128 -1.254 1.00 0.00 C ATOM 1354 C TRP A 87 0.250 -6.601 -1.079 1.00 0.00 C ATOM 1355 O TRP A 87 1.157 -5.946 -1.601 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.669 -6.410 -2.683 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.050 -5.930 -3.018 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.357 -5.046 -3.990 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.321 -6.286 -2.399 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.717 -4.814 -4.007 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.366 -5.564 -3.052 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.694 -7.141 -1.346 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.713 -5.683 -2.677 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.038 -7.265 -0.965 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.051 -6.552 -1.630 1.00 0.00 C ATOM 0 H TRP A 87 -0.800 -4.131 -1.701 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.850 -6.661 -0.572 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -0.967 -5.951 -3.379 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.629 -7.486 -2.853 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.643 -4.587 -4.657 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.182 -4.169 -4.646 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.937 -7.708 -0.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.477 -5.114 -3.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.299 -7.919 -0.147 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.083 -6.673 -1.336 1.00 0.00 H new ATOM 1376 N HIS A 88 0.449 -7.740 -0.416 1.00 0.00 N ATOM 1377 CA HIS A 88 1.727 -8.436 -0.365 1.00 0.00 C ATOM 1378 C HIS A 88 1.558 -9.865 -0.873 1.00 0.00 C ATOM 1379 O HIS A 88 0.469 -10.442 -0.807 1.00 0.00 O ATOM 1380 CB HIS A 88 2.303 -8.403 1.061 1.00 0.00 C ATOM 1381 CG HIS A 88 1.613 -9.286 2.080 1.00 0.00 C ATOM 1382 ND1 HIS A 88 1.900 -10.612 2.336 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.698 -8.883 3.017 1.00 0.00 C ATOM 1384 CE1 HIS A 88 1.235 -10.970 3.444 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.479 -9.953 3.891 1.00 0.00 N ATOM 0 H HIS A 88 -0.289 -8.210 0.109 1.00 0.00 H new ATOM 0 HA HIS A 88 2.440 -7.928 -1.014 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.353 -8.691 1.013 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.270 -7.374 1.420 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.229 -7.912 3.071 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.298 -11.941 3.912 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.134 -9.960 4.707 1.00 0.00 H new ATOM 1393 N ILE A 89 2.672 -10.452 -1.305 1.00 0.00 N ATOM 1394 CA ILE A 89 2.853 -11.875 -1.563 1.00 0.00 C ATOM 1395 C ILE A 89 4.156 -12.203 -0.848 1.00 0.00 C ATOM 1396 O ILE A 89 5.164 -11.582 -1.158 1.00 0.00 O ATOM 1397 CB ILE A 89 2.943 -12.155 -3.085 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.574 -11.958 -3.768 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.475 -13.573 -3.370 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.616 -12.079 -5.298 1.00 0.00 C ATOM 0 H ILE A 89 3.519 -9.916 -1.494 1.00 0.00 H new ATOM 0 HA ILE A 89 2.022 -12.486 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 89 3.649 -11.436 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.874 -12.695 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.185 -10.975 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.524 -13.733 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.471 -13.681 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.806 -14.309 -2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.615 -11.928 -5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.289 -11.324 -5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.973 -13.071 -5.575 1.00 0.00 H new ATOM 1412 N ASN A 90 4.159 -13.134 0.107 1.00 0.00 N ATOM 1413 CA ASN A 90 5.356 -13.610 0.811 1.00 0.00 C ATOM 1414 C ASN A 90 6.207 -12.482 1.425 1.00 0.00 C ATOM 1415 O ASN A 90 7.424 -12.606 1.498 1.00 0.00 O ATOM 1416 CB ASN A 90 6.147 -14.629 -0.053 1.00 0.00 C ATOM 1417 CG ASN A 90 6.913 -14.089 -1.267 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.684 -14.511 -2.399 1.00 0.00 O ATOM 1419 ND2 ASN A 90 7.873 -13.205 -1.102 1.00 0.00 N ATOM 0 H ASN A 90 3.305 -13.593 0.423 1.00 0.00 H new ATOM 0 HA ASN A 90 5.017 -14.161 1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.861 -15.136 0.596 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.446 -15.384 -0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.412 -12.882 -1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.078 -12.843 -0.171 1.00 0.00 H new ATOM 1426 N GLN A 91 5.586 -11.383 1.880 1.00 0.00 N ATOM 1427 CA GLN A 91 6.264 -10.177 2.389 1.00 0.00 C ATOM 1428 C GLN A 91 7.061 -9.433 1.298 1.00 0.00 C ATOM 1429 O GLN A 91 7.956 -8.652 1.618 1.00 0.00 O ATOM 1430 CB GLN A 91 7.166 -10.481 3.610 1.00 0.00 C ATOM 1431 CG GLN A 91 6.497 -11.307 4.715 1.00 0.00 C ATOM 1432 CD GLN A 91 7.508 -11.702 5.790 1.00 0.00 C ATOM 1433 OE1 GLN A 91 7.678 -11.017 6.798 1.00 0.00 O ATOM 1434 NE2 GLN A 91 8.198 -12.811 5.613 1.00 0.00 N ATOM 0 H GLN A 91 4.569 -11.305 1.905 1.00 0.00 H new ATOM 0 HA GLN A 91 5.465 -9.512 2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.053 -11.013 3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.506 -9.537 4.037 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.688 -10.732 5.165 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.050 -12.203 4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.052 -13.374 4.775 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.878 -13.106 6.314 1.00 0.00 H new ATOM 1443 N ALA A 92 6.788 -9.681 0.019 1.00 0.00 N ATOM 1444 CA ALA A 92 7.392 -9.036 -1.139 1.00 0.00 C ATOM 1445 C ALA A 92 6.305 -8.296 -1.916 1.00 0.00 C ATOM 1446 O ALA A 92 5.108 -8.539 -1.713 1.00 0.00 O ATOM 1447 CB ALA A 92 8.047 -10.095 -2.036 1.00 0.00 C ATOM 0 H ALA A 92 6.097 -10.381 -0.250 1.00 0.00 H new ATOM 0 HA ALA A 92 8.155 -8.329 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.498 -9.610 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.817 -10.623 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.292 -10.806 -2.371 1.00 0.00 H new ATOM 1453 N THR A 93 6.735 -7.423 -2.826 1.00 0.00 N ATOM 1454 CA THR A 93 5.887 -6.726 -3.770 1.00 0.00 C ATOM 1455 C THR A 93 6.357 -7.184 -5.143 1.00 0.00 C ATOM 1456 O THR A 93 7.369 -6.719 -5.674 1.00 0.00 O ATOM 1457 CB THR A 93 5.871 -5.208 -3.495 1.00 0.00 C ATOM 1458 OG1 THR A 93 4.834 -4.594 -4.232 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.212 -4.451 -3.613 1.00 0.00 C ATOM 0 H THR A 93 7.720 -7.178 -2.923 1.00 0.00 H new ATOM 0 HA THR A 93 4.828 -6.967 -3.684 1.00 0.00 H new ATOM 0 HB THR A 93 5.672 -5.127 -2.426 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.830 -3.631 -4.051 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.054 -3.395 -3.394 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.928 -4.866 -2.903 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.602 -4.557 -4.625 1.00 0.00 H new ATOM 1467 N THR A 94 5.695 -8.211 -5.672 1.00 0.00 N ATOM 1468 CA THR A 94 6.051 -8.756 -6.965 1.00 0.00 C ATOM 1469 C THR A 94 5.579 -7.780 -8.045 1.00 0.00 C ATOM 1470 O THR A 94 4.745 -6.896 -7.810 1.00 0.00 O ATOM 1471 CB THR A 94 5.470 -10.172 -7.150 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.080 -10.138 -7.387 1.00 0.00 O ATOM 1473 CG2 THR A 94 5.738 -11.100 -5.959 1.00 0.00 C ATOM 0 H THR A 94 4.909 -8.678 -5.219 1.00 0.00 H new ATOM 0 HA THR A 94 7.132 -8.867 -7.043 1.00 0.00 H new ATOM 0 HB THR A 94 5.988 -10.575 -8.020 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.745 -11.052 -7.501 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.302 -12.080 -6.156 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.813 -11.204 -5.813 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.289 -10.677 -5.060 1.00 0.00 H new ATOM 1481 N LYS A 95 6.013 -7.993 -9.288 1.00 0.00 N ATOM 1482 CA LYS A 95 5.438 -7.270 -10.418 1.00 0.00 C ATOM 1483 C LYS A 95 3.947 -7.570 -10.611 1.00 0.00 C ATOM 1484 O LYS A 95 3.319 -6.880 -11.411 1.00 0.00 O ATOM 1485 CB LYS A 95 6.260 -7.481 -11.695 1.00 0.00 C ATOM 1486 CG LYS A 95 7.457 -6.518 -11.689 1.00 0.00 C ATOM 1487 CD LYS A 95 8.200 -6.540 -13.023 1.00 0.00 C ATOM 1488 CE LYS A 95 7.365 -5.924 -14.154 1.00 0.00 C ATOM 1489 NZ LYS A 95 7.032 -6.923 -15.186 1.00 0.00 N ATOM 0 H LYS A 95 6.751 -8.652 -9.534 1.00 0.00 H new ATOM 0 HA LYS A 95 5.492 -6.207 -10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.608 -8.512 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.640 -7.305 -12.574 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.110 -5.506 -11.481 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.141 -6.791 -10.886 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.138 -5.993 -12.925 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.456 -7.568 -13.279 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.447 -5.504 -13.743 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.916 -5.101 -14.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.468 -6.473 -15.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.909 -7.305 -15.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.485 -7.696 -14.757 1.00 0.00 H new ATOM 1503 N THR A 96 3.346 -8.514 -9.883 1.00 0.00 N ATOM 1504 CA THR A 96 1.904 -8.715 -9.861 1.00 0.00 C ATOM 1505 C THR A 96 1.222 -7.749 -8.885 1.00 0.00 C ATOM 1506 O THR A 96 0.210 -7.159 -9.265 1.00 0.00 O ATOM 1507 CB THR A 96 1.596 -10.199 -9.593 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.396 -10.998 -10.450 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.132 -10.556 -9.853 1.00 0.00 C ATOM 0 H THR A 96 3.857 -9.165 -9.287 1.00 0.00 H new ATOM 0 HA THR A 96 1.481 -8.475 -10.836 1.00 0.00 H new ATOM 0 HB THR A 96 1.811 -10.385 -8.541 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.207 -11.945 -10.285 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.026 -11.615 -9.648 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.509 -9.960 -9.203 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.114 -10.348 -10.894 1.00 0.00 H new ATOM 1517 N THR A 97 1.777 -7.482 -7.701 1.00 0.00 N ATOM 1518 CA THR A 97 1.159 -6.585 -6.718 1.00 0.00 C ATOM 1519 C THR A 97 1.558 -5.127 -6.945 1.00 0.00 C ATOM 1520 O THR A 97 0.985 -4.234 -6.336 1.00 0.00 O ATOM 1521 CB THR A 97 1.565 -7.025 -5.296 1.00 0.00 C ATOM 1522 OG1 THR A 97 2.968 -7.168 -5.212 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.949 -8.366 -4.894 1.00 0.00 C ATOM 0 H THR A 97 2.665 -7.880 -7.396 1.00 0.00 H new ATOM 0 HA THR A 97 0.077 -6.651 -6.836 1.00 0.00 H new ATOM 0 HB THR A 97 1.198 -6.249 -4.624 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.390 -6.285 -5.260 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.269 -8.625 -3.885 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.138 -8.290 -4.922 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.276 -9.140 -5.589 1.00 0.00 H new ATOM 1531 N PHE A 98 2.520 -4.870 -7.823 1.00 0.00 N ATOM 1532 CA PHE A 98 3.131 -3.577 -8.092 1.00 0.00 C ATOM 1533 C PHE A 98 2.101 -2.585 -8.629 1.00 0.00 C ATOM 1534 O PHE A 98 1.885 -1.529 -8.035 1.00 0.00 O ATOM 1535 CB PHE A 98 4.297 -3.825 -9.057 1.00 0.00 C ATOM 1536 CG PHE A 98 4.562 -2.792 -10.129 1.00 0.00 C ATOM 1537 CD1 PHE A 98 5.131 -1.550 -9.803 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.287 -3.112 -11.472 1.00 0.00 C ATOM 1539 CE1 PHE A 98 5.528 -0.673 -10.828 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.674 -2.231 -12.496 1.00 0.00 C ATOM 1541 CZ PHE A 98 5.331 -1.032 -12.173 1.00 0.00 C ATOM 0 H PHE A 98 2.919 -5.608 -8.403 1.00 0.00 H new ATOM 0 HA PHE A 98 3.513 -3.118 -7.180 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.205 -3.931 -8.464 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.125 -4.782 -9.550 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.263 -1.269 -8.768 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.779 -4.034 -11.715 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.984 0.275 -10.582 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.467 -2.475 -13.528 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.686 -0.384 -12.961 1.00 0.00 H new ATOM 1551 N LYS A 99 1.438 -2.915 -9.742 1.00 0.00 N ATOM 1552 CA LYS A 99 0.494 -2.004 -10.375 1.00 0.00 C ATOM 1553 C LYS A 99 -0.666 -1.708 -9.420 1.00 0.00 C ATOM 1554 O LYS A 99 -1.029 -0.536 -9.326 1.00 0.00 O ATOM 1555 CB LYS A 99 -0.091 -2.606 -11.651 1.00 0.00 C ATOM 1556 CG LYS A 99 0.847 -2.422 -12.854 1.00 0.00 C ATOM 1557 CD LYS A 99 0.088 -2.431 -14.186 1.00 0.00 C ATOM 1558 CE LYS A 99 1.075 -2.282 -15.345 1.00 0.00 C ATOM 1559 NZ LYS A 99 0.674 -1.222 -16.290 1.00 0.00 N ATOM 0 H LYS A 99 1.542 -3.810 -10.220 1.00 0.00 H new ATOM 0 HA LYS A 99 1.038 -1.092 -10.621 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.280 -3.668 -11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.052 -2.139 -11.865 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.386 -1.480 -12.751 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.592 -3.218 -12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.472 -3.361 -14.290 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.638 -1.618 -14.207 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.065 -2.057 -14.949 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.152 -3.230 -15.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.373 -1.159 -17.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.259 -1.448 -16.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.625 -0.311 -15.790 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.300 -2.695 -8.744 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.375 -2.363 -7.823 1.00 0.00 C ATOM 1575 C PRO A 100 -1.844 -1.535 -6.647 1.00 0.00 C ATOM 1576 O PRO A 100 -2.544 -0.640 -6.183 1.00 0.00 O ATOM 1577 CB PRO A 100 -3.021 -3.684 -7.409 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.956 -4.731 -7.677 1.00 0.00 C ATOM 1579 CD PRO A 100 -1.156 -4.150 -8.840 1.00 0.00 C ATOM 0 HA PRO A 100 -3.133 -1.731 -8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.310 -3.672 -6.358 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.925 -3.881 -7.985 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.327 -4.895 -6.802 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.398 -5.693 -7.937 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.108 -4.443 -8.777 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.533 -4.517 -9.795 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.593 -1.744 -6.216 1.00 0.00 N ATOM 1588 CA ASN A 101 -0.002 -0.995 -5.117 1.00 0.00 C ATOM 1589 C ASN A 101 0.082 0.497 -5.418 1.00 0.00 C ATOM 1590 O ASN A 101 -0.039 1.294 -4.486 1.00 0.00 O ATOM 1591 CB ASN A 101 1.383 -1.549 -4.759 1.00 0.00 C ATOM 1592 CG ASN A 101 1.360 -2.378 -3.486 1.00 0.00 C ATOM 1593 OD1 ASN A 101 1.407 -1.813 -2.403 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.338 -3.696 -3.575 1.00 0.00 N ATOM 0 H ASN A 101 0.032 -2.439 -6.625 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.661 -1.118 -4.258 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.751 -2.161 -5.582 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.083 -0.722 -4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.360 -4.265 -2.729 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.299 -4.145 -4.490 1.00 0.00 H new ATOM 1601 N THR A 102 0.246 0.922 -6.678 1.00 0.00 N ATOM 1602 CA THR A 102 0.279 2.361 -6.952 1.00 0.00 C ATOM 1603 C THR A 102 -1.087 3.015 -6.679 1.00 0.00 C ATOM 1604 O THR A 102 -1.139 4.146 -6.217 1.00 0.00 O ATOM 1605 CB THR A 102 0.882 2.718 -8.328 1.00 0.00 C ATOM 1606 OG1 THR A 102 -0.053 3.111 -9.309 1.00 0.00 O ATOM 1607 CG2 THR A 102 1.775 1.645 -8.960 1.00 0.00 C ATOM 0 H THR A 102 0.354 0.317 -7.492 1.00 0.00 H new ATOM 0 HA THR A 102 0.980 2.800 -6.242 1.00 0.00 H new ATOM 0 HB THR A 102 1.497 3.572 -8.045 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.416 3.319 -10.144 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.144 2.000 -9.922 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.618 1.439 -8.301 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.198 0.732 -9.107 1.00 0.00 H new ATOM 1615 N TRP A 103 -2.193 2.292 -6.858 1.00 0.00 N ATOM 1616 CA TRP A 103 -3.552 2.677 -6.480 1.00 0.00 C ATOM 1617 C TRP A 103 -3.773 2.514 -4.962 1.00 0.00 C ATOM 1618 O TRP A 103 -4.908 2.560 -4.489 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.593 1.812 -7.214 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.669 1.803 -8.714 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -4.060 0.912 -9.523 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.554 2.572 -9.581 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.536 1.048 -10.816 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.490 2.041 -10.902 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -6.458 3.626 -9.364 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -6.306 2.521 -11.943 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -7.264 4.129 -10.397 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -7.188 3.584 -11.688 1.00 0.00 C ATOM 0 H TRP A 103 -2.162 1.371 -7.295 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.676 3.723 -6.760 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -4.434 0.782 -6.896 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.574 2.112 -6.846 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -3.312 0.199 -9.209 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.221 0.485 -11.606 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.534 4.060 -8.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.255 2.077 -12.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.947 4.941 -10.197 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.805 3.980 -12.481 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.738 2.258 -4.164 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.745 2.663 -2.766 1.00 0.00 C ATOM 1641 C CYS A 104 -1.916 3.928 -2.630 1.00 0.00 C ATOM 1642 O CYS A 104 -2.448 4.870 -2.064 1.00 0.00 O ATOM 1643 CB CYS A 104 -2.263 1.542 -1.843 1.00 0.00 C ATOM 1644 SG CYS A 104 -2.496 2.085 -0.127 1.00 0.00 S ATOM 0 H CYS A 104 -1.891 1.775 -4.462 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.767 2.873 -2.450 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.823 0.626 -2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -1.213 1.318 -2.032 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.998 1.111 0.572 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.698 4.006 -3.192 1.00 0.00 N ATOM 1651 CA LEU A 105 0.197 5.157 -3.028 1.00 0.00 C ATOM 1652 C LEU A 105 -0.566 6.429 -3.385 1.00 0.00 C ATOM 1653 O LEU A 105 -0.537 7.399 -2.634 1.00 0.00 O ATOM 1654 CB LEU A 105 1.444 5.023 -3.935 1.00 0.00 C ATOM 1655 CG LEU A 105 2.397 3.864 -3.595 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.472 3.725 -4.677 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.078 4.055 -2.240 1.00 0.00 C ATOM 0 H LEU A 105 -0.307 3.266 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 105 0.535 5.198 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.109 4.903 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.006 5.956 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 105 1.791 2.960 -3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.139 2.901 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.998 3.525 -5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.045 4.650 -4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.741 3.212 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.658 4.978 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.321 4.112 -1.457 1.00 0.00 H new ATOM 1669 N ARG A 106 -1.332 6.393 -4.481 1.00 0.00 N ATOM 1670 CA ARG A 106 -2.085 7.555 -4.959 1.00 0.00 C ATOM 1671 C ARG A 106 -3.203 8.027 -4.030 1.00 0.00 C ATOM 1672 O ARG A 106 -3.712 9.129 -4.232 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.648 7.218 -6.338 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.507 7.157 -7.348 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.024 7.006 -8.780 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.450 8.034 -9.665 1.00 0.00 N ATOM 1677 CZ ARG A 106 -1.718 8.191 -10.964 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -2.587 7.383 -11.565 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -1.143 9.170 -11.647 1.00 0.00 N ATOM 0 H ARG A 106 -1.446 5.560 -5.059 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.389 8.393 -4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.172 6.263 -6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.376 7.971 -6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.906 8.063 -7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.853 6.319 -7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.772 6.015 -9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.111 7.082 -8.787 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.786 8.686 -9.247 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.048 6.644 -11.034 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.792 7.502 -12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.495 9.805 -11.181 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.348 9.289 -12.639 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.593 7.220 -3.046 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.539 7.573 -2.004 1.00 0.00 C ATOM 1695 C CYS A 107 -3.836 8.226 -0.810 1.00 0.00 C ATOM 1696 O CYS A 107 -4.497 8.957 -0.079 1.00 0.00 O ATOM 1697 CB CYS A 107 -5.313 6.312 -1.574 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.857 6.189 -2.515 1.00 0.00 S ATOM 0 H CYS A 107 -3.242 6.267 -2.954 1.00 0.00 H new ATOM 0 HA CYS A 107 -5.242 8.307 -2.397 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.703 5.425 -1.742 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.529 6.353 -0.506 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.504 5.123 -2.149 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.539 7.990 -0.567 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.818 8.672 0.503 1.00 0.00 C ATOM 1706 C LEU A 108 -1.452 10.106 0.112 1.00 0.00 C ATOM 1707 O LEU A 108 -1.151 10.910 0.995 1.00 0.00 O ATOM 1708 CB LEU A 108 -0.502 7.945 0.784 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.544 6.544 1.390 1.00 0.00 C ATOM 1710 CD1 LEU A 108 -0.956 6.585 2.865 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -1.341 5.493 0.649 1.00 0.00 C ATOM 0 H LEU A 108 -1.972 7.331 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.473 8.678 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.045 7.880 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.086 8.575 1.452 1.00 0.00 H new ATOM 0 HG LEU A 108 0.488 6.209 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.976 5.571 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.238 7.183 3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.947 7.030 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.286 4.547 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.382 5.809 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.930 5.364 -0.352 1.00 0.00 H new ATOM 1723 N TRP A 109 -1.408 10.403 -1.189 1.00 0.00 N ATOM 1724 CA TRP A 109 -1.002 11.668 -1.773 1.00 0.00 C ATOM 1725 C TRP A 109 -1.891 12.824 -1.280 1.00 0.00 C ATOM 1726 O TRP A 109 -2.983 12.601 -0.755 1.00 0.00 O ATOM 1727 CB TRP A 109 -1.053 11.485 -3.297 1.00 0.00 C ATOM 1728 CG TRP A 109 -0.019 10.607 -3.947 1.00 0.00 C ATOM 1729 CD1 TRP A 109 0.921 9.858 -3.331 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.187 10.373 -5.371 1.00 0.00 C ATOM 1731 NE1 TRP A 109 1.685 9.195 -4.267 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.274 9.471 -5.551 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.466 10.814 -6.533 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.713 9.063 -6.822 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 -0.033 10.432 -7.812 1.00 0.00 C ATOM 1736 CH2 TRP A 109 1.056 9.557 -7.963 1.00 0.00 C ATOM 0 H TRP A 109 -1.672 9.720 -1.899 1.00 0.00 H new ATOM 0 HA TRP A 109 0.008 11.940 -1.467 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -2.035 11.085 -3.551 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.984 12.473 -3.753 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.054 9.789 -2.262 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.461 8.575 -4.036 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.324 11.464 -6.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.543 8.380 -6.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.540 10.813 -8.686 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.386 9.266 -8.949 1.00 0.00 H new ATOM 1747 N SER A 110 -1.423 14.059 -1.464 1.00 0.00 N ATOM 1748 CA SER A 110 -2.057 15.290 -1.003 1.00 0.00 C ATOM 1749 C SER A 110 -2.252 16.234 -2.184 1.00 0.00 C ATOM 1750 O SER A 110 -1.451 16.223 -3.117 1.00 0.00 O ATOM 1751 CB SER A 110 -1.152 15.962 0.034 1.00 0.00 C ATOM 1752 OG SER A 110 -1.098 15.215 1.237 1.00 0.00 O ATOM 0 H SER A 110 -0.550 14.234 -1.962 1.00 0.00 H new ATOM 0 HA SER A 110 -3.024 15.059 -0.557 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.147 16.070 -0.374 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.520 16.966 0.244 1.00 0.00 H new ATOM 0 HG SER A 110 -0.511 15.669 1.878 1.00 0.00 H new ATOM 1758 N THR A 111 -3.297 17.056 -2.165 1.00 0.00 N ATOM 1759 CA THR A 111 -3.590 18.009 -3.229 1.00 0.00 C ATOM 1760 C THR A 111 -2.567 19.152 -3.154 1.00 0.00 C ATOM 1761 O THR A 111 -2.638 19.971 -2.234 1.00 0.00 O ATOM 1762 CB THR A 111 -5.069 18.436 -3.117 1.00 0.00 C ATOM 1763 OG1 THR A 111 -5.390 18.944 -1.834 1.00 0.00 O ATOM 1764 CG2 THR A 111 -5.983 17.221 -3.326 1.00 0.00 C ATOM 0 H THR A 111 -3.972 17.079 -1.401 1.00 0.00 H new ATOM 0 HA THR A 111 -3.483 17.579 -4.225 1.00 0.00 H new ATOM 0 HB THR A 111 -5.217 19.207 -3.874 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.644 19.484 -1.500 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.025 17.531 -3.245 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.806 16.798 -4.315 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.768 16.469 -2.566 1.00 0.00 H new ATOM 1772 N LYS A 112 -1.553 19.159 -4.026 1.00 0.00 N ATOM 1773 CA LYS A 112 -0.374 20.015 -3.877 1.00 0.00 C ATOM 1774 C LYS A 112 0.155 20.419 -5.268 1.00 0.00 C ATOM 1775 O LYS A 112 0.927 19.668 -5.867 1.00 0.00 O ATOM 1776 CB LYS A 112 0.678 19.278 -3.028 1.00 0.00 C ATOM 1777 CG LYS A 112 0.951 19.922 -1.661 1.00 0.00 C ATOM 1778 CD LYS A 112 1.970 21.054 -1.825 1.00 0.00 C ATOM 1779 CE LYS A 112 2.206 21.808 -0.517 1.00 0.00 C ATOM 1780 NZ LYS A 112 3.007 23.027 -0.744 1.00 0.00 N ATOM 0 H LYS A 112 -1.528 18.569 -4.857 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.629 20.938 -3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.348 18.251 -2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.612 19.232 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.024 20.311 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.330 19.175 -0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.914 20.642 -2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.618 21.750 -2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.249 22.076 -0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.719 21.159 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.153 23.520 0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.929 22.766 -1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.505 23.655 -1.404 1.00 0.00 H new ATOM 1794 N PRO A 113 -0.267 21.570 -5.813 1.00 0.00 N ATOM 1795 CA PRO A 113 0.001 21.978 -7.186 1.00 0.00 C ATOM 1796 C PRO A 113 1.460 22.389 -7.359 1.00 0.00 C ATOM 1797 O PRO A 113 1.872 23.416 -6.815 1.00 0.00 O ATOM 1798 CB PRO A 113 -0.933 23.163 -7.448 1.00 0.00 C ATOM 1799 CG PRO A 113 -1.142 23.766 -6.064 1.00 0.00 C ATOM 1800 CD PRO A 113 -1.082 22.554 -5.134 1.00 0.00 C ATOM 0 HA PRO A 113 -0.173 21.163 -7.889 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -0.486 23.881 -8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -1.875 22.841 -7.892 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -0.369 24.495 -5.823 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -2.100 24.281 -5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -0.648 22.822 -4.171 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -2.081 22.164 -4.936 1.00 0.00 H new ATOM 1808 N VAL A 114 2.224 21.644 -8.151 1.00 0.00 N ATOM 1809 CA VAL A 114 3.654 21.859 -8.382 1.00 0.00 C ATOM 1810 C VAL A 114 3.923 21.915 -9.896 1.00 0.00 C ATOM 1811 O VAL A 114 4.901 21.382 -10.423 1.00 0.00 O ATOM 1812 CB VAL A 114 4.440 20.838 -7.527 1.00 0.00 C ATOM 1813 CG1 VAL A 114 4.112 19.379 -7.868 1.00 0.00 C ATOM 1814 CG2 VAL A 114 5.959 21.055 -7.499 1.00 0.00 C ATOM 0 H VAL A 114 1.855 20.846 -8.669 1.00 0.00 H new ATOM 0 HA VAL A 114 4.022 22.826 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 114 4.083 21.038 -6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 114 4.698 18.716 -7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 114 3.050 19.196 -7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.354 19.186 -8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 114 6.424 20.292 -6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 114 6.355 20.986 -8.512 1.00 0.00 H new ATOM 0 HG23 VAL A 114 6.178 22.041 -7.090 1.00 0.00 H new ATOM 1824 N ASP A 115 3.021 22.578 -10.621 1.00 0.00 N ATOM 1825 CA ASP A 115 3.178 23.006 -12.014 1.00 0.00 C ATOM 1826 C ASP A 115 4.203 24.127 -12.183 1.00 0.00 C ATOM 1827 O ASP A 115 4.622 24.408 -13.306 1.00 0.00 O ATOM 1828 CB ASP A 115 1.841 23.546 -12.536 1.00 0.00 C ATOM 1829 CG ASP A 115 1.327 24.727 -11.715 1.00 0.00 C ATOM 1830 OD1 ASP A 115 0.789 24.472 -10.606 1.00 0.00 O ATOM 1831 OD2 ASP A 115 1.411 25.891 -12.153 1.00 0.00 O ATOM 0 H ASP A 115 2.116 22.845 -10.234 1.00 0.00 H new ATOM 0 HA ASP A 115 3.518 22.130 -12.566 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.958 23.853 -13.575 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.100 22.747 -12.521 1.00 0.00 H new ATOM 1836 N THR A 116 4.577 24.802 -11.102 1.00 0.00 N ATOM 1837 CA THR A 116 5.474 25.944 -11.008 1.00 0.00 C ATOM 1838 C THR A 116 5.976 25.922 -9.552 1.00 0.00 C ATOM 1839 O THR A 116 5.654 24.950 -8.825 1.00 0.00 O ATOM 1840 CB THR A 116 4.677 27.202 -11.422 1.00 0.00 C ATOM 1841 OG1 THR A 116 4.287 27.091 -12.778 1.00 0.00 O ATOM 1842 CG2 THR A 116 5.450 28.521 -11.322 1.00 0.00 C ATOM 0 H THR A 116 4.225 24.536 -10.182 1.00 0.00 H new ATOM 0 HA THR A 116 6.342 25.928 -11.668 1.00 0.00 H new ATOM 0 HB THR A 116 3.843 27.237 -10.722 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.375 26.735 -12.828 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.807 29.344 -11.633 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.768 28.679 -10.292 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.326 28.480 -11.970 1.00 0.00 H new TER 1850 THR A 116