USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 733 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 Single : A 3 THR OG1 : rot 180:sc= -0.953 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 119:sc= 0.549 USER MOD Single : A 10 GLN : amide:sc= -0.229 K(o=-0.23,f=-5.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.301 K(o=-0.3,f=0.38) USER MOD Single : A 38 ASN : amide:sc= -2.66 K(o=-2.7,f=-6.2!) USER MOD Single : A 39 MET CE :methyl 175:sc= -1.42 (180deg=-1.48) USER MOD Single : A 43 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.071) USER MOD Single : A 45 SER OG : rot -170:sc= -0.475 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 0:sc= -2.91! USER MOD Single : A 55 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-3.2) USER MOD Single : A 63 SER OG : rot -150:sc= 1.12 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00916 USER MOD Single : A 70 LYS NZ :NH3+ -110:sc= 0.78 (180deg=-0.0562) USER MOD Single : A 73 CYS SG : rot 45:sc= 0.315 USER MOD Single : A 75 ASN : amide:sc= -2.51 K(o=-2.5,f=-11!) USER MOD Single : A 77 LYS NZ :NH3+ -143:sc= 2.06 (180deg=-0.139) USER MOD Single : A 80 LYS NZ :NH3+ 171:sc= 0.837 (180deg=0.655) USER MOD Single : A 82 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.0051) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.669 K(o=-0.67,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 5.267 -3.282 -4.021 1.00 0.00 N ATOM 28 CA THR A 3 6.293 -2.979 -5.010 1.00 0.00 C ATOM 29 C THR A 3 7.675 -2.928 -4.371 1.00 0.00 C ATOM 30 O THR A 3 7.839 -2.523 -3.220 1.00 0.00 O ATOM 31 CB THR A 3 6.015 -1.637 -5.714 1.00 0.00 C ATOM 32 OG1 THR A 3 7.188 -1.196 -6.408 1.00 0.00 O ATOM 33 CG2 THR A 3 5.586 -0.578 -4.710 1.00 0.00 C ATOM 0 HA THR A 3 6.267 -3.781 -5.748 1.00 0.00 H new ATOM 0 HB THR A 3 5.205 -1.787 -6.428 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.003 -0.343 -6.854 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.395 0.361 -5.230 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.677 -0.903 -4.204 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.378 -0.431 -3.975 1.00 0.00 H new ATOM 41 N PRO A 4 8.696 -3.347 -5.133 1.00 0.00 N ATOM 42 CA PRO A 4 10.084 -3.357 -4.662 1.00 0.00 C ATOM 43 C PRO A 4 10.653 -1.952 -4.502 1.00 0.00 C ATOM 44 O PRO A 4 10.616 -1.377 -3.413 1.00 0.00 O ATOM 45 CB PRO A 4 10.828 -4.113 -5.766 1.00 0.00 C ATOM 46 CG PRO A 4 10.000 -3.911 -6.987 1.00 0.00 C ATOM 47 CD PRO A 4 8.575 -3.843 -6.515 1.00 0.00 C ATOM 0 HA PRO A 4 10.176 -3.814 -3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.837 -3.723 -5.903 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.926 -5.171 -5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.284 -2.994 -7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.139 -4.730 -7.692 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.979 -3.171 -7.132 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.093 -4.820 -6.550 1.00 0.00 H new ATOM 55 N ARG A 5 11.177 -1.403 -5.593 1.00 0.00 N ATOM 56 CA ARG A 5 11.754 -0.064 -5.573 1.00 0.00 C ATOM 57 C ARG A 5 11.099 0.826 -6.624 1.00 0.00 C ATOM 58 O ARG A 5 10.595 0.341 -7.637 1.00 0.00 O ATOM 59 CB ARG A 5 13.263 -0.132 -5.815 1.00 0.00 C ATOM 60 CG ARG A 5 14.076 -0.325 -4.546 1.00 0.00 C ATOM 61 CD ARG A 5 14.342 -1.797 -4.273 1.00 0.00 C ATOM 62 NE ARG A 5 15.592 -2.249 -4.876 1.00 0.00 N ATOM 63 CZ ARG A 5 16.793 -1.879 -4.443 1.00 0.00 C ATOM 64 NH1 ARG A 5 16.904 -1.057 -3.409 1.00 0.00 N ATOM 65 NH2 ARG A 5 17.885 -2.333 -5.044 1.00 0.00 N ATOM 0 H ARG A 5 11.214 -1.865 -6.502 1.00 0.00 H new ATOM 0 HA ARG A 5 11.570 0.369 -4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.476 -0.952 -6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.585 0.786 -6.306 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.023 0.207 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.543 0.112 -3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.377 -1.965 -3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.516 -2.393 -4.662 1.00 0.00 H new ATOM 0 HE ARG A 5 15.541 -2.883 -5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.067 -0.707 -2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.827 -0.775 -3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.803 -2.967 -5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 5 18.806 -2.048 -4.711 1.00 0.00 H new ATOM 79 N PHE A 6 11.109 2.132 -6.376 1.00 0.00 N ATOM 80 CA PHE A 6 10.514 3.090 -7.301 1.00 0.00 C ATOM 81 C PHE A 6 11.007 4.505 -7.010 1.00 0.00 C ATOM 82 O PHE A 6 11.144 4.900 -5.852 1.00 0.00 O ATOM 83 CB PHE A 6 8.987 3.041 -7.208 1.00 0.00 C ATOM 84 CG PHE A 6 8.447 3.594 -5.921 1.00 0.00 C ATOM 85 CD1 PHE A 6 8.231 4.954 -5.772 1.00 0.00 C ATOM 86 CD2 PHE A 6 8.154 2.753 -4.859 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.735 5.466 -4.588 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.656 3.259 -3.673 1.00 0.00 C ATOM 89 CZ PHE A 6 7.446 4.617 -3.538 1.00 0.00 C ATOM 0 H PHE A 6 11.522 2.551 -5.543 1.00 0.00 H new ATOM 0 HA PHE A 6 10.818 2.818 -8.312 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.562 3.601 -8.041 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.657 2.008 -7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.453 5.622 -6.591 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.317 1.690 -4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.574 6.529 -4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.431 2.593 -2.853 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.056 5.015 -2.613 1.00 0.00 H new ATOM 99 N SER A 7 11.272 5.262 -8.069 1.00 0.00 N ATOM 100 CA SER A 7 11.754 6.631 -7.928 1.00 0.00 C ATOM 101 C SER A 7 10.849 7.605 -8.676 1.00 0.00 C ATOM 102 O SER A 7 10.403 7.325 -9.790 1.00 0.00 O ATOM 103 CB SER A 7 13.187 6.746 -8.450 1.00 0.00 C ATOM 104 OG SER A 7 14.117 6.253 -7.501 1.00 0.00 O ATOM 0 H SER A 7 11.161 4.951 -9.034 1.00 0.00 H new ATOM 0 HA SER A 7 11.739 6.888 -6.869 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.284 6.189 -9.382 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.412 7.788 -8.677 1.00 0.00 H new ATOM 0 HG SER A 7 15.025 6.336 -7.859 1.00 0.00 H new ATOM 110 N ILE A 8 10.582 8.750 -8.057 1.00 0.00 N ATOM 111 CA ILE A 8 9.731 9.766 -8.663 1.00 0.00 C ATOM 112 C ILE A 8 10.537 11.005 -9.038 1.00 0.00 C ATOM 113 O ILE A 8 11.447 11.410 -8.315 1.00 0.00 O ATOM 114 CB ILE A 8 8.586 10.178 -7.720 1.00 0.00 C ATOM 115 CG1 ILE A 8 7.965 8.942 -7.065 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.531 10.968 -8.480 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.833 9.266 -6.115 1.00 0.00 C ATOM 0 H ILE A 8 10.943 8.997 -7.136 1.00 0.00 H new ATOM 0 HA ILE A 8 9.306 9.325 -9.565 1.00 0.00 H new ATOM 0 HB ILE A 8 8.994 10.816 -6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.595 8.275 -7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.740 8.400 -6.523 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.728 11.252 -7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.983 11.865 -8.903 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.125 10.353 -9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.441 8.343 -5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.202 9.908 -5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.040 9.781 -6.657 1.00 0.00 H new ATOM 129 N THR A 9 10.195 11.606 -10.174 1.00 0.00 N ATOM 130 CA THR A 9 10.885 12.799 -10.645 1.00 0.00 C ATOM 131 C THR A 9 9.897 13.914 -10.969 1.00 0.00 C ATOM 132 O THR A 9 8.780 13.655 -11.416 1.00 0.00 O ATOM 133 CB THR A 9 11.733 12.501 -11.896 1.00 0.00 C ATOM 134 OG1 THR A 9 12.219 11.155 -11.849 1.00 0.00 O ATOM 135 CG2 THR A 9 12.905 13.466 -11.998 1.00 0.00 C ATOM 0 H THR A 9 9.444 11.285 -10.785 1.00 0.00 H new ATOM 0 HA THR A 9 11.542 13.123 -9.838 1.00 0.00 H new ATOM 0 HB THR A 9 11.101 12.628 -12.775 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.868 10.654 -12.614 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.489 13.236 -12.889 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.531 14.488 -12.063 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.536 13.367 -11.115 1.00 0.00 H new ATOM 143 N GLN A 10 10.316 15.155 -10.742 1.00 0.00 N ATOM 144 CA GLN A 10 9.466 16.309 -11.010 1.00 0.00 C ATOM 145 C GLN A 10 10.058 17.175 -12.117 1.00 0.00 C ATOM 146 O GLN A 10 11.276 17.327 -12.215 1.00 0.00 O ATOM 147 CB GLN A 10 9.282 17.140 -9.739 1.00 0.00 C ATOM 148 CG GLN A 10 10.554 17.830 -9.274 1.00 0.00 C ATOM 149 CD GLN A 10 10.712 17.811 -7.766 1.00 0.00 C ATOM 150 OE1 GLN A 10 10.790 18.859 -7.125 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.759 16.615 -7.191 1.00 0.00 N ATOM 0 H GLN A 10 11.238 15.387 -10.373 1.00 0.00 H new ATOM 0 HA GLN A 10 8.494 15.944 -11.340 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.514 17.893 -9.915 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.917 16.493 -8.941 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.415 17.343 -9.732 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.550 18.863 -9.622 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.691 15.772 -7.761 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.863 16.539 -6.179 1.00 0.00 H new ATOM 160 N ASP A 11 9.189 17.740 -12.948 1.00 0.00 N ATOM 161 CA ASP A 11 9.626 18.592 -14.048 1.00 0.00 C ATOM 162 C ASP A 11 8.880 19.923 -14.034 1.00 0.00 C ATOM 163 O ASP A 11 7.990 20.137 -13.211 1.00 0.00 O ATOM 164 CB ASP A 11 9.408 17.885 -15.386 1.00 0.00 C ATOM 165 CG ASP A 11 9.703 16.400 -15.311 1.00 0.00 C ATOM 166 OD1 ASP A 11 10.732 16.028 -14.708 1.00 0.00 O ATOM 167 OD2 ASP A 11 8.905 15.608 -15.855 1.00 0.00 O ATOM 0 H ASP A 11 8.178 17.623 -12.881 1.00 0.00 H new ATOM 0 HA ASP A 11 10.690 18.791 -13.920 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.377 18.032 -15.707 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.046 18.341 -16.143 1.00 0.00 H new ATOM 172 N GLU A 12 9.250 20.812 -14.950 1.00 0.00 N ATOM 173 CA GLU A 12 8.616 22.123 -15.041 1.00 0.00 C ATOM 174 C GLU A 12 7.445 22.094 -16.018 1.00 0.00 C ATOM 175 O GLU A 12 7.011 23.134 -16.513 1.00 0.00 O ATOM 176 CB GLU A 12 9.635 23.177 -15.479 1.00 0.00 C ATOM 177 CG GLU A 12 10.066 23.041 -16.929 1.00 0.00 C ATOM 178 CD GLU A 12 11.165 24.016 -17.305 1.00 0.00 C ATOM 179 OE1 GLU A 12 11.506 24.877 -16.467 1.00 0.00 O ATOM 180 OE2 GLU A 12 11.683 23.919 -18.437 1.00 0.00 O ATOM 0 H GLU A 12 9.984 20.649 -15.639 1.00 0.00 H new ATOM 0 HA GLU A 12 8.236 22.384 -14.053 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.208 24.168 -15.327 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.515 23.108 -14.839 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.412 22.023 -17.107 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.205 23.203 -17.577 1.00 0.00 H new ATOM 187 N GLU A 13 6.939 20.895 -16.292 1.00 0.00 N ATOM 188 CA GLU A 13 5.820 20.731 -17.211 1.00 0.00 C ATOM 189 C GLU A 13 4.894 19.611 -16.746 1.00 0.00 C ATOM 190 O GLU A 13 3.670 19.729 -16.823 1.00 0.00 O ATOM 191 CB GLU A 13 6.330 20.433 -18.623 1.00 0.00 C ATOM 192 CG GLU A 13 7.651 19.683 -18.647 1.00 0.00 C ATOM 193 CD GLU A 13 8.025 19.204 -20.036 1.00 0.00 C ATOM 194 OE1 GLU A 13 7.150 19.229 -20.927 1.00 0.00 O ATOM 195 OE2 GLU A 13 9.191 18.805 -20.233 1.00 0.00 O ATOM 0 H GLU A 13 7.287 20.024 -15.891 1.00 0.00 H new ATOM 0 HA GLU A 13 5.255 21.663 -17.226 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.580 19.848 -19.155 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.445 21.372 -19.164 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.440 20.332 -18.266 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.590 18.827 -17.975 1.00 0.00 H new ATOM 202 N PHE A 14 5.486 18.523 -16.265 1.00 0.00 N ATOM 203 CA PHE A 14 4.715 17.380 -15.788 1.00 0.00 C ATOM 204 C PHE A 14 5.534 16.540 -14.813 1.00 0.00 C ATOM 205 O PHE A 14 6.694 16.848 -14.535 1.00 0.00 O ATOM 206 CB PHE A 14 4.262 16.517 -16.967 1.00 0.00 C ATOM 207 CG PHE A 14 5.399 15.887 -17.721 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.206 16.651 -18.549 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.661 14.532 -17.601 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.252 16.074 -19.244 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.706 13.949 -18.293 1.00 0.00 C ATOM 212 CZ PHE A 14 7.503 14.722 -19.114 1.00 0.00 C ATOM 0 H PHE A 14 6.497 18.408 -16.195 1.00 0.00 H new ATOM 0 HA PHE A 14 3.837 17.758 -15.265 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.601 15.732 -16.599 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.678 17.131 -17.653 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.015 17.709 -18.652 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.041 13.924 -16.959 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.872 16.680 -19.888 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.899 12.891 -18.192 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.322 14.270 -19.654 1.00 0.00 H new ATOM 222 N ILE A 15 4.923 15.479 -14.297 1.00 0.00 N ATOM 223 CA ILE A 15 5.595 14.595 -13.353 1.00 0.00 C ATOM 224 C ILE A 15 5.971 13.272 -14.012 1.00 0.00 C ATOM 225 O ILE A 15 5.218 12.735 -14.826 1.00 0.00 O ATOM 226 CB ILE A 15 4.714 14.310 -12.123 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.822 15.457 -11.115 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.114 12.992 -11.478 1.00 0.00 C ATOM 229 CD1 ILE A 15 6.149 15.502 -10.392 1.00 0.00 C ATOM 0 H ILE A 15 3.964 15.211 -14.517 1.00 0.00 H new ATOM 0 HA ILE A 15 6.501 15.108 -13.030 1.00 0.00 H new ATOM 0 HB ILE A 15 3.676 14.232 -12.448 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.668 16.403 -11.635 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.021 15.362 -10.382 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.482 12.805 -10.610 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.991 12.183 -12.198 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.156 13.042 -11.164 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.155 16.339 -9.694 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.296 14.571 -9.844 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.954 15.628 -11.116 1.00 0.00 H new ATOM 241 N PHE A 16 7.139 12.750 -13.654 1.00 0.00 N ATOM 242 CA PHE A 16 7.615 11.488 -14.210 1.00 0.00 C ATOM 243 C PHE A 16 7.888 10.475 -13.102 1.00 0.00 C ATOM 244 O PHE A 16 8.855 10.605 -12.350 1.00 0.00 O ATOM 245 CB PHE A 16 8.884 11.715 -15.033 1.00 0.00 C ATOM 246 CG PHE A 16 9.701 10.471 -15.231 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.195 9.402 -15.953 1.00 0.00 C ATOM 248 CD2 PHE A 16 10.975 10.370 -14.696 1.00 0.00 C ATOM 249 CE1 PHE A 16 9.944 8.255 -16.137 1.00 0.00 C ATOM 250 CE2 PHE A 16 11.729 9.226 -14.878 1.00 0.00 C ATOM 251 CZ PHE A 16 11.212 8.166 -15.599 1.00 0.00 C ATOM 0 H PHE A 16 7.774 13.181 -12.982 1.00 0.00 H new ATOM 0 HA PHE A 16 6.836 11.089 -14.860 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.608 12.118 -16.008 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.498 12.468 -14.539 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.204 9.466 -16.377 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.384 11.194 -14.130 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.537 7.429 -16.701 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.721 9.160 -14.457 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.799 7.270 -15.741 1.00 0.00 H new ATOM 261 N LEU A 17 7.030 9.465 -13.007 1.00 0.00 N ATOM 262 CA LEU A 17 7.177 8.429 -11.991 1.00 0.00 C ATOM 263 C LEU A 17 7.840 7.185 -12.574 1.00 0.00 C ATOM 264 O LEU A 17 7.366 6.619 -13.559 1.00 0.00 O ATOM 265 CB LEU A 17 5.812 8.065 -11.404 1.00 0.00 C ATOM 266 CG LEU A 17 5.698 6.672 -10.783 1.00 0.00 C ATOM 267 CD1 LEU A 17 6.648 6.534 -9.604 1.00 0.00 C ATOM 268 CD2 LEU A 17 4.265 6.397 -10.351 1.00 0.00 C ATOM 0 H LEU A 17 6.225 9.342 -13.621 1.00 0.00 H new ATOM 0 HA LEU A 17 7.814 8.820 -11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.558 8.802 -10.642 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.065 8.151 -12.193 1.00 0.00 H new ATOM 0 HG LEU A 17 5.977 5.935 -11.536 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.553 5.537 -9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.673 6.687 -9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.400 7.279 -8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.202 5.402 -9.911 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.958 7.139 -9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.607 6.453 -11.218 1.00 0.00 H new ATOM 280 N LYS A 18 8.939 6.763 -11.958 1.00 0.00 N ATOM 281 CA LYS A 18 9.667 5.585 -12.413 1.00 0.00 C ATOM 282 C LYS A 18 9.505 4.432 -11.427 1.00 0.00 C ATOM 283 O LYS A 18 9.574 4.627 -10.213 1.00 0.00 O ATOM 284 CB LYS A 18 11.151 5.913 -12.590 1.00 0.00 C ATOM 285 CG LYS A 18 11.979 4.740 -13.084 1.00 0.00 C ATOM 286 CD LYS A 18 13.444 4.895 -12.711 1.00 0.00 C ATOM 287 CE LYS A 18 13.992 6.244 -13.152 1.00 0.00 C ATOM 288 NZ LYS A 18 15.477 6.233 -13.251 1.00 0.00 N ATOM 0 H LYS A 18 9.345 7.220 -11.142 1.00 0.00 H new ATOM 0 HA LYS A 18 9.252 5.281 -13.374 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.250 6.739 -13.294 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.555 6.256 -11.637 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.590 3.815 -12.659 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.885 4.658 -14.167 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.559 4.789 -11.632 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.025 4.097 -13.173 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.565 6.511 -14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.681 7.012 -12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.812 7.170 -13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.885 6.003 -12.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.773 5.518 -13.946 1.00 0.00 H new ATOM 302 N ILE A 19 9.292 3.232 -11.957 1.00 0.00 N ATOM 303 CA ILE A 19 9.123 2.048 -11.123 1.00 0.00 C ATOM 304 C ILE A 19 10.062 0.929 -11.561 1.00 0.00 C ATOM 305 O ILE A 19 10.245 0.689 -12.754 1.00 0.00 O ATOM 306 CB ILE A 19 7.673 1.532 -11.165 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.695 2.667 -10.854 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.491 0.385 -10.183 1.00 0.00 C ATOM 309 CD1 ILE A 19 5.947 3.170 -12.068 1.00 0.00 C ATOM 0 H ILE A 19 9.232 3.054 -12.960 1.00 0.00 H new ATOM 0 HA ILE A 19 9.365 2.344 -10.102 1.00 0.00 H new ATOM 0 HB ILE A 19 7.463 1.162 -12.169 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.976 2.322 -10.111 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.243 3.496 -10.406 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.461 0.031 -10.224 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.166 -0.430 -10.446 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.716 0.731 -9.174 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.272 3.973 -11.773 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.658 3.546 -12.804 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.371 2.354 -12.504 1.00 0.00 H new ATOM 321 N PHE A 20 10.654 0.246 -10.587 1.00 0.00 N ATOM 322 CA PHE A 20 11.574 -0.849 -10.871 1.00 0.00 C ATOM 323 C PHE A 20 10.881 -2.198 -10.705 1.00 0.00 C ATOM 324 O PHE A 20 10.219 -2.448 -9.698 1.00 0.00 O ATOM 325 CB PHE A 20 12.792 -0.772 -9.948 1.00 0.00 C ATOM 326 CG PHE A 20 13.587 0.492 -10.109 1.00 0.00 C ATOM 327 CD1 PHE A 20 14.519 0.616 -11.127 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.402 1.557 -9.242 1.00 0.00 C ATOM 329 CE1 PHE A 20 15.252 1.778 -11.276 1.00 0.00 C ATOM 330 CE2 PHE A 20 14.132 2.722 -9.387 1.00 0.00 C ATOM 331 CZ PHE A 20 15.057 2.833 -10.406 1.00 0.00 C ATOM 0 H PHE A 20 10.513 0.432 -9.594 1.00 0.00 H new ATOM 0 HA PHE A 20 11.904 -0.754 -11.906 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.459 -0.853 -8.913 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.440 -1.627 -10.143 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.674 -0.205 -11.812 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.679 1.476 -8.444 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.977 1.861 -12.072 1.00 0.00 H new ATOM 0 HE2 PHE A 20 13.979 3.544 -8.704 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.627 3.743 -10.523 1.00 0.00 H new ATOM 341 N ILE A 21 11.038 -3.063 -11.701 1.00 0.00 N ATOM 342 CA ILE A 21 10.428 -4.387 -11.666 1.00 0.00 C ATOM 343 C ILE A 21 11.254 -5.394 -12.460 1.00 0.00 C ATOM 344 O ILE A 21 12.083 -5.017 -13.288 1.00 0.00 O ATOM 345 CB ILE A 21 8.994 -4.361 -12.226 1.00 0.00 C ATOM 346 CG1 ILE A 21 8.988 -3.797 -13.648 1.00 0.00 C ATOM 347 CG2 ILE A 21 8.087 -3.539 -11.321 1.00 0.00 C ATOM 348 CD1 ILE A 21 7.803 -4.249 -14.472 1.00 0.00 C ATOM 0 H ILE A 21 11.582 -2.871 -12.542 1.00 0.00 H new ATOM 0 HA ILE A 21 10.395 -4.692 -10.620 1.00 0.00 H new ATOM 0 HB ILE A 21 8.614 -5.382 -12.259 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.992 -2.708 -13.598 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.907 -4.096 -14.153 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.077 -3.530 -11.730 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.071 -3.980 -10.324 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.463 -2.518 -11.260 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.864 -3.811 -15.468 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.809 -5.336 -14.553 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.880 -3.926 -13.990 1.00 0.00 H new ATOM 492 N LEU A 31 -2.781 -3.752 -16.402 1.00 0.00 N ATOM 493 CA LEU A 31 -2.083 -2.475 -16.511 1.00 0.00 C ATOM 494 C LEU A 31 -3.066 -1.338 -16.770 1.00 0.00 C ATOM 495 O LEU A 31 -3.704 -1.284 -17.821 1.00 0.00 O ATOM 496 CB LEU A 31 -1.046 -2.533 -17.634 1.00 0.00 C ATOM 497 CG LEU A 31 -0.317 -3.866 -17.806 1.00 0.00 C ATOM 498 CD1 LEU A 31 0.767 -3.749 -18.867 1.00 0.00 C ATOM 499 CD2 LEU A 31 0.278 -4.324 -16.482 1.00 0.00 C ATOM 0 HA LEU A 31 -1.576 -2.284 -15.565 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.543 -2.290 -18.573 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.303 -1.756 -17.456 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.040 -4.613 -18.135 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.275 -4.707 -18.975 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.316 -3.468 -19.819 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.488 -2.988 -18.568 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.793 -5.274 -16.624 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.987 -3.577 -16.124 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.519 -4.449 -15.749 1.00 0.00 H new ATOM 511 N GLU A 32 -3.181 -0.431 -15.805 1.00 0.00 N ATOM 512 CA GLU A 32 -4.086 0.706 -15.930 1.00 0.00 C ATOM 513 C GLU A 32 -3.921 1.664 -14.754 1.00 0.00 C ATOM 514 O GLU A 32 -4.658 1.586 -13.770 1.00 0.00 O ATOM 515 CB GLU A 32 -5.536 0.225 -16.012 1.00 0.00 C ATOM 516 CG GLU A 32 -6.498 1.281 -16.531 1.00 0.00 C ATOM 517 CD GLU A 32 -6.935 2.253 -15.452 1.00 0.00 C ATOM 518 OE1 GLU A 32 -7.474 1.793 -14.424 1.00 0.00 O ATOM 519 OE2 GLU A 32 -6.738 3.472 -15.636 1.00 0.00 O ATOM 0 H GLU A 32 -2.659 -0.461 -14.929 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.836 1.239 -16.847 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.584 -0.649 -16.661 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.861 -0.095 -15.022 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.022 1.833 -17.341 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.377 0.792 -16.951 1.00 0.00 H new ATOM 526 N ILE A 33 -2.951 2.565 -14.863 1.00 0.00 N ATOM 527 CA ILE A 33 -2.690 3.537 -13.809 1.00 0.00 C ATOM 528 C ILE A 33 -3.681 4.695 -13.872 1.00 0.00 C ATOM 529 O ILE A 33 -3.917 5.266 -14.937 1.00 0.00 O ATOM 530 CB ILE A 33 -1.258 4.097 -13.901 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.237 2.961 -13.806 1.00 0.00 C ATOM 532 CG2 ILE A 33 -1.020 5.124 -12.805 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.197 3.429 -13.916 1.00 0.00 C ATOM 0 H ILE A 33 -2.333 2.642 -15.671 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.806 3.013 -12.861 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.137 4.590 -14.866 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.370 2.442 -12.857 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.436 2.237 -14.596 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.004 5.511 -12.883 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.730 5.944 -12.914 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.156 4.654 -11.831 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.866 2.572 -13.840 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.346 3.922 -14.877 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.414 4.131 -13.110 1.00 0.00 H new ATOM 545 N ILE A 34 -4.257 5.037 -12.724 1.00 0.00 N ATOM 546 CA ILE A 34 -5.220 6.128 -12.648 1.00 0.00 C ATOM 547 C ILE A 34 -4.802 7.158 -11.604 1.00 0.00 C ATOM 548 O ILE A 34 -4.364 6.804 -10.509 1.00 0.00 O ATOM 549 CB ILE A 34 -6.630 5.612 -12.308 1.00 0.00 C ATOM 550 CG1 ILE A 34 -7.597 6.785 -12.130 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.592 4.755 -11.052 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.757 7.223 -10.692 1.00 0.00 C ATOM 0 H ILE A 34 -4.073 4.574 -11.834 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.242 6.599 -13.631 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.984 4.996 -13.134 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.244 7.630 -12.721 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.573 6.504 -12.527 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.596 4.398 -10.825 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.932 3.903 -11.213 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.221 5.349 -10.217 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.456 8.058 -10.642 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.140 6.392 -10.099 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.790 7.535 -10.297 1.00 0.00 H new ATOM 564 N ILE A 35 -4.942 8.434 -11.950 1.00 0.00 N ATOM 565 CA ILE A 35 -4.583 9.515 -11.041 1.00 0.00 C ATOM 566 C ILE A 35 -5.817 10.087 -10.351 1.00 0.00 C ATOM 567 O ILE A 35 -6.803 10.425 -11.004 1.00 0.00 O ATOM 568 CB ILE A 35 -3.849 10.650 -11.780 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.581 10.117 -12.449 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.511 11.778 -10.815 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.628 10.165 -13.960 1.00 0.00 C ATOM 0 H ILE A 35 -5.301 8.744 -12.853 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.916 9.089 -10.291 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.507 11.044 -12.554 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.726 10.697 -12.102 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.418 9.087 -12.131 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.993 12.573 -11.351 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.429 12.173 -10.381 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.869 11.397 -10.021 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.696 9.772 -14.366 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.463 9.562 -14.317 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.759 11.196 -14.287 1.00 0.00 H new ATOM 583 N GLN A 36 -5.752 10.193 -9.028 1.00 0.00 N ATOM 584 CA GLN A 36 -6.864 10.726 -8.250 1.00 0.00 C ATOM 585 C GLN A 36 -6.954 12.241 -8.396 1.00 0.00 C ATOM 586 O GLN A 36 -6.241 12.840 -9.200 1.00 0.00 O ATOM 587 CB GLN A 36 -6.708 10.352 -6.775 1.00 0.00 C ATOM 588 CG GLN A 36 -7.954 9.727 -6.170 1.00 0.00 C ATOM 589 CD GLN A 36 -7.710 8.326 -5.645 1.00 0.00 C ATOM 590 OE1 GLN A 36 -7.145 8.144 -4.566 1.00 0.00 O ATOM 591 NE2 GLN A 36 -8.135 7.325 -6.408 1.00 0.00 N ATOM 0 H GLN A 36 -4.942 9.917 -8.473 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.785 10.287 -8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.876 9.656 -6.672 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.448 11.246 -6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.314 10.358 -5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.742 9.696 -6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.599 7.521 -7.295 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.998 6.360 -6.107 1.00 0.00 H new ATOM 600 N GLU A 37 -7.836 12.855 -7.613 1.00 0.00 N ATOM 601 CA GLU A 37 -8.020 14.301 -7.656 1.00 0.00 C ATOM 602 C GLU A 37 -6.684 15.023 -7.507 1.00 0.00 C ATOM 603 O GLU A 37 -6.462 16.070 -8.114 1.00 0.00 O ATOM 604 CB GLU A 37 -8.980 14.749 -6.553 1.00 0.00 C ATOM 605 CG GLU A 37 -8.730 14.072 -5.216 1.00 0.00 C ATOM 606 CD GLU A 37 -9.030 14.978 -4.038 1.00 0.00 C ATOM 607 OE1 GLU A 37 -9.652 16.040 -4.250 1.00 0.00 O ATOM 608 OE2 GLU A 37 -8.643 14.626 -2.904 1.00 0.00 O ATOM 0 H GLU A 37 -8.434 12.374 -6.941 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.447 14.559 -8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.895 15.828 -6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.003 14.545 -6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.346 13.176 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.690 13.749 -5.165 1.00 0.00 H new ATOM 615 N ASN A 38 -5.799 14.456 -6.695 1.00 0.00 N ATOM 616 CA ASN A 38 -4.485 15.046 -6.464 1.00 0.00 C ATOM 617 C ASN A 38 -3.402 13.971 -6.444 1.00 0.00 C ATOM 618 O ASN A 38 -2.393 14.079 -7.140 1.00 0.00 O ATOM 619 CB ASN A 38 -4.475 15.821 -5.145 1.00 0.00 C ATOM 620 CG ASN A 38 -4.984 14.991 -3.983 1.00 0.00 C ATOM 621 OD1 ASN A 38 -6.192 14.863 -3.779 1.00 0.00 O ATOM 622 ND2 ASN A 38 -4.063 14.422 -3.214 1.00 0.00 N ATOM 0 H ASN A 38 -5.967 13.589 -6.186 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.274 15.734 -7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.460 16.156 -4.931 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.091 16.714 -5.247 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.346 13.852 -2.417 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.073 14.555 -3.420 1.00 0.00 H new ATOM 629 N MET A 39 -3.620 12.935 -5.640 1.00 0.00 N ATOM 630 CA MET A 39 -2.663 11.840 -5.531 1.00 0.00 C ATOM 631 C MET A 39 -2.727 10.937 -6.759 1.00 0.00 C ATOM 632 O MET A 39 -3.580 11.117 -7.628 1.00 0.00 O ATOM 633 CB MET A 39 -2.936 11.021 -4.267 1.00 0.00 C ATOM 634 CG MET A 39 -3.809 9.801 -4.510 1.00 0.00 C ATOM 635 SD MET A 39 -4.734 9.306 -3.043 1.00 0.00 S ATOM 636 CE MET A 39 -3.402 9.059 -1.871 1.00 0.00 C ATOM 0 H MET A 39 -4.449 12.831 -5.055 1.00 0.00 H new ATOM 0 HA MET A 39 -1.663 12.269 -5.470 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.986 10.699 -3.841 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.417 11.660 -3.527 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.507 10.014 -5.320 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.183 8.971 -4.838 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.818 8.836 -0.889 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.779 8.227 -2.199 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.797 9.964 -1.811 1.00 0.00 H new ATOM 646 N ILE A 40 -1.820 9.968 -6.823 1.00 0.00 N ATOM 647 CA ILE A 40 -1.775 9.038 -7.944 1.00 0.00 C ATOM 648 C ILE A 40 -1.884 7.595 -7.466 1.00 0.00 C ATOM 649 O ILE A 40 -1.254 7.207 -6.481 1.00 0.00 O ATOM 650 CB ILE A 40 -0.477 9.200 -8.758 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.404 10.602 -9.368 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.398 8.139 -9.845 1.00 0.00 C ATOM 653 CD1 ILE A 40 0.828 10.828 -10.215 1.00 0.00 C ATOM 0 H ILE A 40 -1.107 9.807 -6.112 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.627 9.272 -8.582 1.00 0.00 H new ATOM 0 HB ILE A 40 0.373 9.070 -8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.291 10.770 -9.979 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.424 11.340 -8.566 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.524 8.266 -10.412 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.410 7.149 -9.389 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.252 8.240 -10.515 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.814 11.842 -10.615 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.720 10.692 -9.603 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.840 10.113 -11.038 1.00 0.00 H new ATOM 665 N ILE A 41 -2.686 6.803 -8.170 1.00 0.00 N ATOM 666 CA ILE A 41 -2.876 5.401 -7.818 1.00 0.00 C ATOM 667 C ILE A 41 -2.194 4.484 -8.829 1.00 0.00 C ATOM 668 O ILE A 41 -2.509 4.512 -10.019 1.00 0.00 O ATOM 669 CB ILE A 41 -4.370 5.038 -7.738 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.076 5.916 -6.704 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.539 3.565 -7.395 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.484 5.811 -5.316 1.00 0.00 C ATOM 0 H ILE A 41 -3.215 7.108 -8.987 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.423 5.257 -6.837 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.826 5.219 -8.711 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.032 6.955 -7.031 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.129 5.639 -6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.601 3.323 -7.342 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.066 2.956 -8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.072 3.360 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.035 6.461 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.552 4.780 -4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.438 6.117 -5.342 1.00 0.00 H new ATOM 684 N PHE A 42 -1.260 3.672 -8.346 1.00 0.00 N ATOM 685 CA PHE A 42 -0.534 2.745 -9.207 1.00 0.00 C ATOM 686 C PHE A 42 -1.165 1.356 -9.165 1.00 0.00 C ATOM 687 O PHE A 42 -0.955 0.595 -8.220 1.00 0.00 O ATOM 688 CB PHE A 42 0.933 2.664 -8.782 1.00 0.00 C ATOM 689 CG PHE A 42 1.737 1.684 -9.588 1.00 0.00 C ATOM 690 CD1 PHE A 42 2.232 2.034 -10.835 1.00 0.00 C ATOM 691 CD2 PHE A 42 2.000 0.415 -9.099 1.00 0.00 C ATOM 692 CE1 PHE A 42 2.971 1.134 -11.579 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.739 -0.489 -9.839 1.00 0.00 C ATOM 694 CZ PHE A 42 3.226 -0.129 -11.080 1.00 0.00 C ATOM 0 H PHE A 42 -0.988 3.637 -7.364 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.589 3.119 -10.229 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.384 3.652 -8.871 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.983 2.385 -7.730 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.038 3.021 -11.229 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.623 0.128 -8.128 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.349 1.418 -12.550 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.935 -1.476 -9.447 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.805 -0.833 -11.659 1.00 0.00 H new ATOM 704 N HIS A 43 -1.940 1.033 -10.196 1.00 0.00 N ATOM 705 CA HIS A 43 -2.602 -0.264 -10.278 1.00 0.00 C ATOM 706 C HIS A 43 -1.827 -1.213 -11.187 1.00 0.00 C ATOM 707 O HIS A 43 -2.015 -2.430 -11.137 1.00 0.00 O ATOM 708 CB HIS A 43 -4.031 -0.099 -10.794 1.00 0.00 C ATOM 709 CG HIS A 43 -5.013 -1.027 -10.146 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.377 -0.912 -10.309 1.00 0.00 N ATOM 711 CD2 HIS A 43 -4.821 -2.091 -9.332 1.00 0.00 C ATOM 712 CE1 HIS A 43 -6.982 -1.864 -9.622 1.00 0.00 C ATOM 713 NE2 HIS A 43 -6.060 -2.593 -9.020 1.00 0.00 N ATOM 0 H HIS A 43 -2.125 1.651 -10.986 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.633 -0.692 -9.276 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.352 0.929 -10.628 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.041 -0.267 -11.871 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.870 -2.474 -8.991 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.049 -2.020 -9.563 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.239 -3.398 -8.420 1.00 0.00 H new ATOM 721 N LEU A 44 -0.956 -0.650 -12.017 1.00 0.00 N ATOM 722 CA LEU A 44 -0.152 -1.446 -12.938 1.00 0.00 C ATOM 723 C LEU A 44 0.645 -2.508 -12.188 1.00 0.00 C ATOM 724 O LEU A 44 0.880 -2.388 -10.985 1.00 0.00 O ATOM 725 CB LEU A 44 0.797 -0.544 -13.729 1.00 0.00 C ATOM 726 CG LEU A 44 1.106 -0.985 -15.160 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.267 0.224 -16.068 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.358 -1.850 -15.193 1.00 0.00 C ATOM 0 H LEU A 44 -0.788 0.355 -12.071 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.828 -1.947 -13.630 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.369 0.458 -13.763 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.737 -0.471 -13.182 1.00 0.00 H new ATOM 0 HG LEU A 44 0.268 -1.579 -15.526 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.487 -0.109 -17.082 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.344 0.804 -16.068 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.086 0.845 -15.705 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.563 -2.155 -16.219 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.204 -1.281 -14.808 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.205 -2.735 -14.575 1.00 0.00 H new ATOM 740 N SER A 45 1.060 -3.547 -12.906 1.00 0.00 N ATOM 741 CA SER A 45 1.829 -4.632 -12.307 1.00 0.00 C ATOM 742 C SER A 45 1.007 -5.363 -11.251 1.00 0.00 C ATOM 743 O SER A 45 -0.036 -4.888 -10.801 1.00 0.00 O ATOM 744 CB SER A 45 3.115 -4.088 -11.682 1.00 0.00 C ATOM 745 OG SER A 45 4.258 -4.561 -12.373 1.00 0.00 O ATOM 0 H SER A 45 0.877 -3.660 -13.903 1.00 0.00 H new ATOM 0 HA SER A 45 2.087 -5.340 -13.095 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.100 -2.998 -11.701 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.169 -4.387 -10.635 1.00 0.00 H new ATOM 0 HG SER A 45 5.065 -4.332 -11.866 1.00 0.00 H new ATOM 751 N PRO A 46 1.485 -6.549 -10.846 1.00 0.00 N ATOM 752 CA PRO A 46 0.811 -7.373 -9.839 1.00 0.00 C ATOM 753 C PRO A 46 0.882 -6.758 -8.445 1.00 0.00 C ATOM 754 O PRO A 46 0.259 -7.252 -7.505 1.00 0.00 O ATOM 755 CB PRO A 46 1.587 -8.692 -9.881 1.00 0.00 C ATOM 756 CG PRO A 46 2.938 -8.320 -10.388 1.00 0.00 C ATOM 757 CD PRO A 46 2.723 -7.177 -11.340 1.00 0.00 C ATOM 0 HA PRO A 46 -0.253 -7.482 -10.048 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.647 -9.148 -8.893 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.103 -9.415 -10.537 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.595 -8.027 -9.569 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.412 -9.163 -10.891 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.561 -6.480 -11.326 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.615 -7.525 -12.367 1.00 0.00 H new ATOM 765 N TYR A 47 1.644 -5.677 -8.319 1.00 0.00 N ATOM 766 CA TYR A 47 1.798 -4.996 -7.039 1.00 0.00 C ATOM 767 C TYR A 47 1.133 -3.623 -7.069 1.00 0.00 C ATOM 768 O TYR A 47 1.375 -2.823 -7.974 1.00 0.00 O ATOM 769 CB TYR A 47 3.280 -4.849 -6.690 1.00 0.00 C ATOM 770 CG TYR A 47 4.102 -6.077 -7.012 1.00 0.00 C ATOM 771 CD1 TYR A 47 3.714 -7.334 -6.566 1.00 0.00 C ATOM 772 CD2 TYR A 47 5.266 -5.979 -7.764 1.00 0.00 C ATOM 773 CE1 TYR A 47 4.463 -8.458 -6.858 1.00 0.00 C ATOM 774 CE2 TYR A 47 6.020 -7.098 -8.062 1.00 0.00 C ATOM 775 CZ TYR A 47 5.615 -8.335 -7.606 1.00 0.00 C ATOM 776 OH TYR A 47 6.362 -9.452 -7.900 1.00 0.00 O ATOM 0 H TYR A 47 2.164 -5.254 -9.087 1.00 0.00 H new ATOM 0 HA TYR A 47 1.310 -5.600 -6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.689 -3.996 -7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.374 -4.627 -5.627 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.812 -7.435 -5.981 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.587 -5.012 -8.122 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.148 -9.428 -6.502 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.922 -7.004 -8.649 1.00 0.00 H new ATOM 0 HH TYR A 47 7.141 -9.193 -8.435 1.00 0.00 H new ATOM 786 N TYR A 48 0.294 -3.357 -6.074 1.00 0.00 N ATOM 787 CA TYR A 48 -0.408 -2.082 -5.986 1.00 0.00 C ATOM 788 C TYR A 48 0.371 -1.089 -5.130 1.00 0.00 C ATOM 789 O TYR A 48 0.791 -1.407 -4.016 1.00 0.00 O ATOM 790 CB TYR A 48 -1.808 -2.286 -5.405 1.00 0.00 C ATOM 791 CG TYR A 48 -2.576 -0.998 -5.209 1.00 0.00 C ATOM 792 CD1 TYR A 48 -2.403 -0.231 -4.064 1.00 0.00 C ATOM 793 CD2 TYR A 48 -3.475 -0.550 -6.169 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.103 0.946 -3.881 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.178 0.627 -5.995 1.00 0.00 C ATOM 796 CZ TYR A 48 -3.989 1.371 -4.849 1.00 0.00 C ATOM 797 OH TYR A 48 -4.688 2.542 -4.671 1.00 0.00 O ATOM 0 H TYR A 48 0.083 -4.007 -5.317 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.496 -1.674 -6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.375 -2.940 -6.067 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.723 -2.798 -4.447 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.710 -0.560 -3.304 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.627 -1.131 -7.066 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.957 1.530 -2.985 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.871 0.962 -6.752 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.440 2.943 -3.812 1.00 0.00 H new ATOM 807 N LEU A 49 0.561 0.115 -5.657 1.00 0.00 N ATOM 808 CA LEU A 49 1.289 1.158 -4.942 1.00 0.00 C ATOM 809 C LEU A 49 0.490 2.457 -4.912 1.00 0.00 C ATOM 810 O LEU A 49 -0.238 2.772 -5.853 1.00 0.00 O ATOM 811 CB LEU A 49 2.650 1.398 -5.598 1.00 0.00 C ATOM 812 CG LEU A 49 3.551 2.428 -4.916 1.00 0.00 C ATOM 813 CD1 LEU A 49 4.001 1.925 -3.553 1.00 0.00 C ATOM 814 CD2 LEU A 49 4.753 2.748 -5.792 1.00 0.00 C ATOM 0 H LEU A 49 0.221 0.394 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 49 1.441 0.823 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.184 0.448 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.484 1.715 -6.628 1.00 0.00 H new ATOM 0 HG LEU A 49 2.978 3.344 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.641 2.671 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.128 1.748 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.556 0.995 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.383 3.483 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.327 1.838 -5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.411 3.153 -6.745 1.00 0.00 H new ATOM 826 N ARG A 50 0.634 3.208 -3.825 1.00 0.00 N ATOM 827 CA ARG A 50 -0.074 4.474 -3.672 1.00 0.00 C ATOM 828 C ARG A 50 0.909 5.629 -3.501 1.00 0.00 C ATOM 829 O ARG A 50 1.846 5.547 -2.705 1.00 0.00 O ATOM 830 CB ARG A 50 -1.020 4.413 -2.472 1.00 0.00 C ATOM 831 CG ARG A 50 -2.012 5.563 -2.419 1.00 0.00 C ATOM 832 CD ARG A 50 -3.350 5.118 -1.850 1.00 0.00 C ATOM 833 NE ARG A 50 -3.936 6.128 -0.974 1.00 0.00 N ATOM 834 CZ ARG A 50 -5.222 6.160 -0.645 1.00 0.00 C ATOM 835 NH1 ARG A 50 -6.053 5.241 -1.117 1.00 0.00 N ATOM 836 NH2 ARG A 50 -5.680 7.111 0.159 1.00 0.00 N ATOM 0 H ARG A 50 1.234 2.962 -3.038 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.657 4.647 -4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.569 3.472 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.430 4.410 -1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.605 6.368 -1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.157 5.966 -3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.038 4.904 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.217 4.190 -1.294 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.323 6.849 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.705 4.507 -1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.040 5.268 -0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.044 7.819 0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.668 7.134 0.411 1.00 0.00 H new ATOM 850 N LEU A 51 0.689 6.702 -4.251 1.00 0.00 N ATOM 851 CA LEU A 51 1.556 7.874 -4.183 1.00 0.00 C ATOM 852 C LEU A 51 0.767 9.110 -3.763 1.00 0.00 C ATOM 853 O LEU A 51 -0.124 9.564 -4.481 1.00 0.00 O ATOM 854 CB LEU A 51 2.225 8.117 -5.537 1.00 0.00 C ATOM 855 CG LEU A 51 3.153 7.010 -6.036 1.00 0.00 C ATOM 856 CD1 LEU A 51 3.781 7.398 -7.365 1.00 0.00 C ATOM 857 CD2 LEU A 51 4.230 6.711 -5.003 1.00 0.00 C ATOM 0 H LEU A 51 -0.082 6.786 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 51 2.325 7.684 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.445 8.273 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.797 9.043 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 51 2.561 6.107 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.438 6.597 -7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.997 7.561 -8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.359 8.314 -7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.882 5.920 -5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.818 7.610 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.762 6.388 -4.073 1.00 0.00 H new ATOM 869 N ARG A 52 1.103 9.651 -2.596 1.00 0.00 N ATOM 870 CA ARG A 52 0.427 10.836 -2.081 1.00 0.00 C ATOM 871 C ARG A 52 1.361 12.042 -2.092 1.00 0.00 C ATOM 872 O ARG A 52 2.241 12.167 -1.239 1.00 0.00 O ATOM 873 CB ARG A 52 -0.081 10.582 -0.661 1.00 0.00 C ATOM 874 CG ARG A 52 -1.219 11.501 -0.247 1.00 0.00 C ATOM 875 CD ARG A 52 -0.699 12.782 0.385 1.00 0.00 C ATOM 876 NE ARG A 52 -0.136 12.548 1.712 1.00 0.00 N ATOM 877 CZ ARG A 52 0.061 13.510 2.607 1.00 0.00 C ATOM 878 NH1 ARG A 52 -0.258 14.764 2.319 1.00 0.00 N ATOM 879 NH2 ARG A 52 0.579 13.218 3.793 1.00 0.00 N ATOM 0 H ARG A 52 1.839 9.288 -1.990 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.422 11.051 -2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.415 9.547 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.746 10.704 0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.827 11.745 -1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.868 10.983 0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.062 13.221 -0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.511 13.506 0.458 1.00 0.00 H new ATOM 0 HE ARG A 52 0.120 11.594 1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.656 14.993 1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.106 15.500 3.008 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.826 12.254 4.018 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.730 13.957 4.480 1.00 0.00 H new ATOM 893 N PHE A 53 1.164 12.929 -3.062 1.00 0.00 N ATOM 894 CA PHE A 53 1.990 14.124 -3.185 1.00 0.00 C ATOM 895 C PHE A 53 1.319 15.319 -2.513 1.00 0.00 C ATOM 896 O PHE A 53 0.097 15.378 -2.370 1.00 0.00 O ATOM 897 CB PHE A 53 2.257 14.437 -4.658 1.00 0.00 C ATOM 898 CG PHE A 53 2.892 13.300 -5.406 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.792 12.455 -4.776 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.589 13.075 -6.740 1.00 0.00 C ATOM 901 CE1 PHE A 53 4.378 11.408 -5.462 1.00 0.00 C ATOM 902 CE2 PHE A 53 3.172 12.029 -7.430 1.00 0.00 C ATOM 903 CZ PHE A 53 4.068 11.195 -6.791 1.00 0.00 C ATOM 0 H PHE A 53 0.439 12.842 -3.774 1.00 0.00 H new ATOM 0 HA PHE A 53 2.939 13.932 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.316 14.699 -5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.904 15.312 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.038 12.617 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.890 13.724 -7.246 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.078 10.757 -4.959 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.927 11.864 -8.469 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.525 10.378 -7.329 1.00 0.00 H new ATOM 913 N PRO A 54 2.136 16.296 -2.091 1.00 0.00 N ATOM 914 CA PRO A 54 1.645 17.508 -1.429 1.00 0.00 C ATOM 915 C PRO A 54 0.883 18.422 -2.382 1.00 0.00 C ATOM 916 O PRO A 54 0.246 19.387 -1.957 1.00 0.00 O ATOM 917 CB PRO A 54 2.926 18.190 -0.942 1.00 0.00 C ATOM 918 CG PRO A 54 3.989 17.698 -1.862 1.00 0.00 C ATOM 919 CD PRO A 54 3.602 16.293 -2.230 1.00 0.00 C ATOM 0 HA PRO A 54 0.938 17.279 -0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.837 19.276 -0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.145 17.928 0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.060 18.328 -2.749 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.965 17.719 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.909 16.045 -3.246 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.067 15.562 -1.569 1.00 0.00 H new ATOM 927 N HIS A 55 0.953 18.114 -3.673 1.00 0.00 N ATOM 928 CA HIS A 55 0.269 18.908 -4.687 1.00 0.00 C ATOM 929 C HIS A 55 -0.897 18.131 -5.290 1.00 0.00 C ATOM 930 O HIS A 55 -1.240 17.046 -4.822 1.00 0.00 O ATOM 931 CB HIS A 55 1.247 19.318 -5.789 1.00 0.00 C ATOM 932 CG HIS A 55 2.382 20.164 -5.298 1.00 0.00 C ATOM 933 ND1 HIS A 55 2.329 21.541 -5.253 1.00 0.00 N ATOM 934 CD2 HIS A 55 3.603 19.820 -4.828 1.00 0.00 C ATOM 935 CE1 HIS A 55 3.470 22.008 -4.778 1.00 0.00 C ATOM 936 NE2 HIS A 55 4.261 20.983 -4.511 1.00 0.00 N ATOM 0 H HIS A 55 1.477 17.320 -4.042 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.124 19.805 -4.207 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.650 18.420 -6.258 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.704 19.865 -6.560 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.989 18.817 -4.722 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.715 23.050 -4.633 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.206 21.046 -4.132 1.00 0.00 H new ATOM 944 N GLU A 56 -1.504 18.695 -6.330 1.00 0.00 N ATOM 945 CA GLU A 56 -2.633 18.056 -6.995 1.00 0.00 C ATOM 946 C GLU A 56 -2.380 17.927 -8.494 1.00 0.00 C ATOM 947 O GLU A 56 -2.091 18.912 -9.173 1.00 0.00 O ATOM 948 CB GLU A 56 -3.916 18.852 -6.749 1.00 0.00 C ATOM 949 CG GLU A 56 -3.735 20.355 -6.887 1.00 0.00 C ATOM 950 CD GLU A 56 -3.210 20.998 -5.618 1.00 0.00 C ATOM 951 OE1 GLU A 56 -3.927 20.965 -4.596 1.00 0.00 O ATOM 952 OE2 GLU A 56 -2.083 21.534 -5.648 1.00 0.00 O ATOM 0 H GLU A 56 -1.232 19.593 -6.730 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.749 17.056 -6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.680 18.520 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.286 18.629 -5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.046 20.561 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.690 20.809 -7.152 1.00 0.00 H new ATOM 959 N LEU A 57 -2.490 16.705 -9.003 1.00 0.00 N ATOM 960 CA LEU A 57 -2.273 16.445 -10.422 1.00 0.00 C ATOM 961 C LEU A 57 -3.595 16.181 -11.136 1.00 0.00 C ATOM 962 O LEU A 57 -4.664 16.252 -10.529 1.00 0.00 O ATOM 963 CB LEU A 57 -1.334 15.251 -10.605 1.00 0.00 C ATOM 964 CG LEU A 57 -0.072 15.252 -9.742 1.00 0.00 C ATOM 965 CD1 LEU A 57 0.200 13.860 -9.192 1.00 0.00 C ATOM 966 CD2 LEU A 57 1.121 15.754 -10.542 1.00 0.00 C ATOM 0 H LEU A 57 -2.728 15.879 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.814 17.331 -10.862 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.893 14.339 -10.395 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.034 15.207 -11.652 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.230 15.928 -8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.102 13.880 -8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.644 13.538 -8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.338 13.163 -10.018 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.010 15.748 -9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.282 15.104 -11.402 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.927 16.770 -10.886 1.00 0.00 H new ATOM 978 N ILE A 58 -3.514 15.874 -12.426 1.00 0.00 N ATOM 979 CA ILE A 58 -4.703 15.596 -13.221 1.00 0.00 C ATOM 980 C ILE A 58 -4.423 14.532 -14.277 1.00 0.00 C ATOM 981 O ILE A 58 -3.330 14.476 -14.841 1.00 0.00 O ATOM 982 CB ILE A 58 -5.226 16.867 -13.916 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.429 16.533 -14.800 1.00 0.00 C ATOM 984 CG2 ILE A 58 -4.121 17.514 -14.738 1.00 0.00 C ATOM 985 CD1 ILE A 58 -7.042 17.744 -15.469 1.00 0.00 C ATOM 0 H ILE A 58 -2.637 15.812 -12.943 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.464 15.229 -12.532 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.546 17.575 -13.152 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.120 15.822 -15.566 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.189 16.039 -14.194 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.506 18.411 -15.223 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.291 17.783 -14.084 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.773 16.812 -15.496 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.889 17.432 -16.080 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.382 18.447 -14.708 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.297 18.226 -16.102 1.00 0.00 H new ATOM 997 N ASP A 59 -5.417 13.691 -14.539 1.00 0.00 N ATOM 998 CA ASP A 59 -5.278 12.629 -15.530 1.00 0.00 C ATOM 999 C ASP A 59 -5.944 13.023 -16.845 1.00 0.00 C ATOM 1000 O ASP A 59 -7.171 13.044 -16.949 1.00 0.00 O ATOM 1001 CB ASP A 59 -5.888 11.329 -15.004 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.318 10.398 -16.121 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.542 10.230 -17.085 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.430 9.837 -16.030 1.00 0.00 O ATOM 0 H ASP A 59 -6.327 13.723 -14.080 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.215 12.474 -15.714 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.161 10.820 -14.370 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.749 11.562 -14.378 1.00 0.00 H new ATOM 1009 N ASP A 60 -5.128 13.335 -17.845 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.638 13.728 -19.154 1.00 0.00 C ATOM 1011 C ASP A 60 -5.228 12.719 -20.222 1.00 0.00 C ATOM 1012 O ASP A 60 -4.743 11.633 -19.909 1.00 0.00 O ATOM 1013 CB ASP A 60 -5.126 15.120 -19.527 1.00 0.00 C ATOM 1014 CG ASP A 60 -6.172 15.947 -20.249 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -7.132 15.354 -20.783 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -6.030 17.188 -20.281 1.00 0.00 O ATOM 0 H ASP A 60 -4.110 13.324 -17.775 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.726 13.752 -19.101 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.813 15.643 -18.623 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.244 15.022 -20.160 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.428 13.087 -21.484 1.00 0.00 N ATOM 1022 CA GLU A 61 -5.082 12.212 -22.598 1.00 0.00 C ATOM 1023 C GLU A 61 -3.568 12.062 -22.721 1.00 0.00 C ATOM 1024 O GLU A 61 -3.073 11.057 -23.230 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.659 12.760 -23.905 1.00 0.00 C ATOM 1026 CG GLU A 61 -5.181 14.163 -24.240 1.00 0.00 C ATOM 1027 CD GLU A 61 -6.121 14.891 -25.181 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -7.143 15.426 -24.703 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -5.835 14.924 -26.396 1.00 0.00 O ATOM 0 H GLU A 61 -5.827 13.984 -21.760 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.513 11.230 -22.403 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.390 12.089 -24.721 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.747 12.762 -23.840 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.078 14.737 -23.319 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.191 14.107 -24.693 1.00 0.00 H new ATOM 1036 N ARG A 62 -2.839 13.069 -22.251 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.383 13.051 -22.310 1.00 0.00 C ATOM 1038 C ARG A 62 -0.810 12.076 -21.286 1.00 0.00 C ATOM 1039 O ARG A 62 0.246 11.482 -21.502 1.00 0.00 O ATOM 1040 CB ARG A 62 -0.823 14.453 -22.063 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.443 15.154 -20.865 1.00 0.00 C ATOM 1042 CD ARG A 62 -2.314 16.325 -21.294 1.00 0.00 C ATOM 1043 NE ARG A 62 -1.526 17.527 -21.554 1.00 0.00 N ATOM 1044 CZ ARG A 62 -1.195 17.939 -22.772 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -1.582 17.250 -23.837 1.00 0.00 N ATOM 1046 NH2 ARG A 62 -0.475 19.043 -22.928 1.00 0.00 N ATOM 0 H ARG A 62 -3.233 13.908 -21.825 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.089 12.720 -23.306 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.255 14.384 -21.915 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.984 15.061 -22.953 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.042 14.443 -20.296 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.654 15.509 -20.202 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.869 16.054 -22.192 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.049 16.534 -20.516 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.213 18.080 -20.756 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.136 16.401 -23.722 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.326 17.569 -24.771 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.175 19.576 -22.112 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.221 19.358 -23.864 1.00 0.00 H new ATOM 1060 N SER A 63 -1.513 11.917 -20.169 1.00 0.00 N ATOM 1061 CA SER A 63 -1.073 11.018 -19.109 1.00 0.00 C ATOM 1062 C SER A 63 -1.098 9.567 -19.582 1.00 0.00 C ATOM 1063 O SER A 63 -2.076 9.112 -20.176 1.00 0.00 O ATOM 1064 CB SER A 63 -1.960 11.178 -17.873 1.00 0.00 C ATOM 1065 OG SER A 63 -3.084 10.318 -17.937 1.00 0.00 O ATOM 0 H SER A 63 -2.390 12.400 -19.975 1.00 0.00 H new ATOM 0 HA SER A 63 -0.048 11.280 -18.848 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.381 10.959 -16.976 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.294 12.212 -17.793 1.00 0.00 H new ATOM 0 HG SER A 63 -3.835 10.724 -17.455 1.00 0.00 H new ATOM 1071 N THR A 64 -0.014 8.845 -19.314 1.00 0.00 N ATOM 1072 CA THR A 64 0.091 7.447 -19.712 1.00 0.00 C ATOM 1073 C THR A 64 1.416 6.845 -19.260 1.00 0.00 C ATOM 1074 O THR A 64 2.362 7.566 -18.946 1.00 0.00 O ATOM 1075 CB THR A 64 -0.039 7.287 -21.239 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.183 5.921 -21.608 1.00 0.00 O ATOM 1077 CG2 THR A 64 0.955 8.182 -21.963 1.00 0.00 C ATOM 0 H THR A 64 0.804 9.206 -18.823 1.00 0.00 H new ATOM 0 HA THR A 64 -0.729 6.917 -19.227 1.00 0.00 H new ATOM 0 HB THR A 64 -1.047 7.582 -21.530 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.097 5.827 -22.580 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.845 8.052 -23.040 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.765 9.223 -21.702 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.969 7.913 -21.667 1.00 0.00 H new ATOM 1085 N ALA A 65 1.477 5.517 -19.230 1.00 0.00 N ATOM 1086 CA ALA A 65 2.688 4.818 -18.819 1.00 0.00 C ATOM 1087 C ALA A 65 3.101 3.779 -19.856 1.00 0.00 C ATOM 1088 O ALA A 65 2.254 3.110 -20.447 1.00 0.00 O ATOM 1089 CB ALA A 65 2.483 4.160 -17.462 1.00 0.00 C ATOM 0 H ALA A 65 0.702 4.905 -19.485 1.00 0.00 H new ATOM 0 HA ALA A 65 3.491 5.551 -18.738 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.395 3.642 -17.167 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.243 4.922 -16.721 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.663 3.444 -17.525 1.00 0.00 H new ATOM 1095 N GLN A 66 4.406 3.650 -20.071 1.00 0.00 N ATOM 1096 CA GLN A 66 4.930 2.693 -21.038 1.00 0.00 C ATOM 1097 C GLN A 66 5.915 1.735 -20.377 1.00 0.00 C ATOM 1098 O GLN A 66 6.592 2.093 -19.413 1.00 0.00 O ATOM 1099 CB GLN A 66 5.610 3.426 -22.196 1.00 0.00 C ATOM 1100 CG GLN A 66 4.737 4.492 -22.838 1.00 0.00 C ATOM 1101 CD GLN A 66 5.533 5.466 -23.684 1.00 0.00 C ATOM 1102 OE1 GLN A 66 6.473 5.079 -24.378 1.00 0.00 O ATOM 1103 NE2 GLN A 66 5.160 6.739 -23.630 1.00 0.00 N ATOM 0 H GLN A 66 5.120 4.196 -19.589 1.00 0.00 H new ATOM 0 HA GLN A 66 4.093 2.113 -21.427 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.527 3.890 -21.833 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.899 2.699 -22.955 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.981 4.012 -23.459 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.208 5.041 -22.059 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.375 7.016 -23.041 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.659 7.440 -24.178 1.00 0.00 H new ATOM 1112 N TYR A 67 5.991 0.517 -20.902 1.00 0.00 N ATOM 1113 CA TYR A 67 6.893 -0.493 -20.361 1.00 0.00 C ATOM 1114 C TYR A 67 8.276 -0.384 -20.994 1.00 0.00 C ATOM 1115 O TYR A 67 8.413 -0.387 -22.218 1.00 0.00 O ATOM 1116 CB TYR A 67 6.322 -1.893 -20.594 1.00 0.00 C ATOM 1117 CG TYR A 67 7.314 -3.003 -20.329 1.00 0.00 C ATOM 1118 CD1 TYR A 67 8.187 -2.940 -19.250 1.00 0.00 C ATOM 1119 CD2 TYR A 67 7.378 -4.116 -21.159 1.00 0.00 C ATOM 1120 CE1 TYR A 67 9.095 -3.951 -19.006 1.00 0.00 C ATOM 1121 CE2 TYR A 67 8.282 -5.133 -20.921 1.00 0.00 C ATOM 1122 CZ TYR A 67 9.139 -5.046 -19.844 1.00 0.00 C ATOM 1123 OH TYR A 67 10.041 -6.056 -19.603 1.00 0.00 O ATOM 0 H TYR A 67 5.439 0.205 -21.701 1.00 0.00 H new ATOM 0 HA TYR A 67 6.990 -0.320 -19.289 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.452 -2.033 -19.952 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.973 -1.967 -21.624 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.155 -2.085 -18.591 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.710 -4.187 -22.004 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.767 -3.885 -18.163 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.317 -5.992 -21.575 1.00 0.00 H new ATOM 0 HH TYR A 67 9.941 -6.753 -20.285 1.00 0.00 H new ATOM 1133 N ASP A 68 9.299 -0.289 -20.152 1.00 0.00 N ATOM 1134 CA ASP A 68 10.674 -0.181 -20.628 1.00 0.00 C ATOM 1135 C ASP A 68 11.388 -1.525 -20.535 1.00 0.00 C ATOM 1136 O ASP A 68 11.567 -2.071 -19.446 1.00 0.00 O ATOM 1137 CB ASP A 68 11.434 0.872 -19.820 1.00 0.00 C ATOM 1138 CG ASP A 68 11.376 2.245 -20.460 1.00 0.00 C ATOM 1139 OD1 ASP A 68 10.582 2.426 -21.407 1.00 0.00 O ATOM 1140 OD2 ASP A 68 12.125 3.139 -20.013 1.00 0.00 O ATOM 0 H ASP A 68 9.203 -0.285 -19.137 1.00 0.00 H new ATOM 0 HA ASP A 68 10.648 0.124 -21.674 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.017 0.925 -18.814 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.475 0.566 -19.718 1.00 0.00 H new ATOM 1145 N SER A 69 11.794 -2.055 -21.684 1.00 0.00 N ATOM 1146 CA SER A 69 12.485 -3.338 -21.733 1.00 0.00 C ATOM 1147 C SER A 69 13.993 -3.149 -21.597 1.00 0.00 C ATOM 1148 O SER A 69 14.690 -3.998 -21.040 1.00 0.00 O ATOM 1149 CB SER A 69 12.167 -4.063 -23.042 1.00 0.00 C ATOM 1150 OG SER A 69 12.367 -3.213 -24.158 1.00 0.00 O ATOM 0 H SER A 69 11.656 -1.615 -22.594 1.00 0.00 H new ATOM 0 HA SER A 69 12.135 -3.943 -20.896 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.800 -4.946 -23.135 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.134 -4.411 -23.027 1.00 0.00 H new ATOM 0 HG SER A 69 12.159 -3.701 -24.982 1.00 0.00 H new ATOM 1156 N LYS A 70 14.491 -2.028 -22.109 1.00 0.00 N ATOM 1157 CA LYS A 70 15.915 -1.724 -22.045 1.00 0.00 C ATOM 1158 C LYS A 70 16.419 -1.780 -20.606 1.00 0.00 C ATOM 1159 O LYS A 70 17.579 -2.110 -20.357 1.00 0.00 O ATOM 1160 CB LYS A 70 16.190 -0.341 -22.639 1.00 0.00 C ATOM 1161 CG LYS A 70 15.381 0.770 -21.992 1.00 0.00 C ATOM 1162 CD LYS A 70 16.187 1.501 -20.931 1.00 0.00 C ATOM 1163 CE LYS A 70 15.285 2.256 -19.967 1.00 0.00 C ATOM 1164 NZ LYS A 70 14.926 3.606 -20.484 1.00 0.00 N ATOM 0 H LYS A 70 13.928 -1.315 -22.573 1.00 0.00 H new ATOM 0 HA LYS A 70 16.448 -2.475 -22.628 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.251 -0.114 -22.535 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.972 -0.363 -23.707 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.057 1.477 -22.755 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.481 0.351 -21.542 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.795 0.785 -20.377 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.873 2.199 -21.411 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.376 1.680 -19.794 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.786 2.357 -19.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.402 4.334 -19.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.229 3.690 -21.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.896 3.738 -20.424 1.00 0.00 H new ATOM 1178 N ASP A 71 15.541 -1.456 -19.663 1.00 0.00 N ATOM 1179 CA ASP A 71 15.896 -1.472 -18.249 1.00 0.00 C ATOM 1180 C ASP A 71 14.927 -2.342 -17.455 1.00 0.00 C ATOM 1181 O ASP A 71 15.073 -2.503 -16.244 1.00 0.00 O ATOM 1182 CB ASP A 71 15.903 -0.050 -17.687 1.00 0.00 C ATOM 1183 CG ASP A 71 16.537 0.026 -16.312 1.00 0.00 C ATOM 1184 OD1 ASP A 71 17.146 -0.976 -15.883 1.00 0.00 O ATOM 1185 OD2 ASP A 71 16.425 1.088 -15.665 1.00 0.00 O ATOM 0 H ASP A 71 14.578 -1.179 -19.853 1.00 0.00 H new ATOM 0 HA ASP A 71 16.896 -1.896 -18.156 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.444 0.605 -18.370 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.880 0.321 -17.633 1.00 0.00 H new ATOM 1190 N GLU A 72 13.937 -2.898 -18.146 1.00 0.00 N ATOM 1191 CA GLU A 72 12.942 -3.750 -17.504 1.00 0.00 C ATOM 1192 C GLU A 72 12.172 -2.977 -16.437 1.00 0.00 C ATOM 1193 O GLU A 72 11.680 -3.558 -15.469 1.00 0.00 O ATOM 1194 CB GLU A 72 13.614 -4.973 -16.877 1.00 0.00 C ATOM 1195 CG GLU A 72 14.447 -5.780 -17.859 1.00 0.00 C ATOM 1196 CD GLU A 72 15.635 -6.454 -17.200 1.00 0.00 C ATOM 1197 OE1 GLU A 72 15.680 -6.491 -15.953 1.00 0.00 O ATOM 1198 OE2 GLU A 72 16.519 -6.945 -17.933 1.00 0.00 O ATOM 0 H GLU A 72 13.802 -2.774 -19.149 1.00 0.00 H new ATOM 0 HA GLU A 72 12.238 -4.082 -18.267 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.252 -4.646 -16.056 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.847 -5.618 -16.448 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.818 -6.537 -18.327 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.801 -5.124 -18.654 1.00 0.00 H new ATOM 1205 N CYS A 73 12.072 -1.665 -16.622 1.00 0.00 N ATOM 1206 CA CYS A 73 11.363 -0.812 -15.675 1.00 0.00 C ATOM 1207 C CYS A 73 10.085 -0.257 -16.295 1.00 0.00 C ATOM 1208 O CYS A 73 9.799 -0.495 -17.469 1.00 0.00 O ATOM 1209 CB CYS A 73 12.263 0.338 -15.219 1.00 0.00 C ATOM 1210 SG CYS A 73 13.817 -0.197 -14.465 1.00 0.00 S ATOM 0 H CYS A 73 12.473 -1.169 -17.418 1.00 0.00 H new ATOM 0 HA CYS A 73 11.093 -1.418 -14.810 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.487 0.972 -16.077 1.00 0.00 H new ATOM 0 HB3 CYS A 73 11.716 0.951 -14.503 1.00 0.00 H new ATOM 0 HG CYS A 73 14.344 -1.145 -15.182 1.00 0.00 H new ATOM 1216 N ILE A 74 9.319 0.481 -15.499 1.00 0.00 N ATOM 1217 CA ILE A 74 8.071 1.069 -15.970 1.00 0.00 C ATOM 1218 C ILE A 74 8.087 2.586 -15.820 1.00 0.00 C ATOM 1219 O ILE A 74 8.459 3.113 -14.773 1.00 0.00 O ATOM 1220 CB ILE A 74 6.859 0.502 -15.207 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.866 -1.027 -15.259 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.564 1.050 -15.788 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.572 -1.587 -16.633 1.00 0.00 C ATOM 0 H ILE A 74 9.541 0.686 -14.525 1.00 0.00 H new ATOM 0 HA ILE A 74 7.979 0.812 -17.025 1.00 0.00 H new ATOM 0 HB ILE A 74 6.927 0.812 -14.164 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.840 -1.389 -14.929 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.128 -1.410 -14.554 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.717 0.640 -15.238 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.559 2.137 -15.705 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.487 0.766 -16.838 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.594 -2.676 -16.594 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.586 -1.255 -16.958 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.324 -1.234 -17.338 1.00 0.00 H new ATOM 1235 N ASN A 75 7.679 3.284 -16.876 1.00 0.00 N ATOM 1236 CA ASN A 75 7.645 4.742 -16.861 1.00 0.00 C ATOM 1237 C ASN A 75 6.207 5.252 -16.840 1.00 0.00 C ATOM 1238 O ASN A 75 5.402 4.908 -17.705 1.00 0.00 O ATOM 1239 CB ASN A 75 8.378 5.301 -18.082 1.00 0.00 C ATOM 1240 CG ASN A 75 7.886 4.693 -19.381 1.00 0.00 C ATOM 1241 OD1 ASN A 75 6.809 5.033 -19.870 1.00 0.00 O ATOM 1242 ND2 ASN A 75 8.677 3.788 -19.947 1.00 0.00 N ATOM 0 H ASN A 75 7.368 2.864 -17.752 1.00 0.00 H new ATOM 0 HA ASN A 75 8.146 5.084 -15.956 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.246 6.382 -18.118 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.447 5.113 -17.978 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.400 3.345 -20.823 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.562 3.537 -19.506 1.00 0.00 H new ATOM 1249 N VAL A 76 5.892 6.075 -15.845 1.00 0.00 N ATOM 1250 CA VAL A 76 4.552 6.635 -15.711 1.00 0.00 C ATOM 1251 C VAL A 76 4.567 8.147 -15.901 1.00 0.00 C ATOM 1252 O VAL A 76 5.342 8.858 -15.259 1.00 0.00 O ATOM 1253 CB VAL A 76 3.942 6.307 -14.335 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.486 6.743 -14.279 1.00 0.00 C ATOM 1255 CG2 VAL A 76 4.075 4.822 -14.034 1.00 0.00 C ATOM 0 H VAL A 76 6.546 6.369 -15.120 1.00 0.00 H new ATOM 0 HA VAL A 76 3.939 6.180 -16.489 1.00 0.00 H new ATOM 0 HB VAL A 76 4.491 6.859 -13.572 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.072 6.503 -13.300 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.421 7.818 -14.447 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.920 6.221 -15.050 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.639 4.608 -13.058 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.552 4.248 -14.799 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.129 4.545 -14.029 1.00 0.00 H new ATOM 1265 N LYS A 77 3.705 8.635 -16.786 1.00 0.00 N ATOM 1266 CA LYS A 77 3.616 10.065 -17.061 1.00 0.00 C ATOM 1267 C LYS A 77 2.296 10.635 -16.553 1.00 0.00 C ATOM 1268 O LYS A 77 1.247 10.001 -16.671 1.00 0.00 O ATOM 1269 CB LYS A 77 3.752 10.326 -18.563 1.00 0.00 C ATOM 1270 CG LYS A 77 4.337 11.688 -18.893 1.00 0.00 C ATOM 1271 CD LYS A 77 3.254 12.748 -19.000 1.00 0.00 C ATOM 1272 CE LYS A 77 3.303 13.462 -20.342 1.00 0.00 C ATOM 1273 NZ LYS A 77 4.628 14.096 -20.585 1.00 0.00 N ATOM 0 H LYS A 77 3.057 8.061 -17.326 1.00 0.00 H new ATOM 0 HA LYS A 77 4.432 10.562 -16.537 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.383 9.553 -19.002 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.770 10.239 -19.029 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.053 11.974 -18.122 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.886 11.631 -19.833 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.276 12.285 -18.869 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.373 13.474 -18.196 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.089 12.751 -21.140 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.524 14.224 -20.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.494 15.002 -21.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.105 14.263 -19.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.212 13.466 -21.171 1.00 0.00 H new ATOM 1287 N VAL A 78 2.354 11.837 -15.988 1.00 0.00 N ATOM 1288 CA VAL A 78 1.162 12.494 -15.464 1.00 0.00 C ATOM 1289 C VAL A 78 1.297 14.011 -15.533 1.00 0.00 C ATOM 1290 O VAL A 78 2.307 14.575 -15.114 1.00 0.00 O ATOM 1291 CB VAL A 78 0.887 12.079 -14.007 1.00 0.00 C ATOM 1292 CG1 VAL A 78 2.123 12.296 -13.147 1.00 0.00 C ATOM 1293 CG2 VAL A 78 -0.301 12.849 -13.450 1.00 0.00 C ATOM 0 H VAL A 78 3.214 12.376 -15.881 1.00 0.00 H new ATOM 0 HA VAL A 78 0.325 12.178 -16.087 1.00 0.00 H new ATOM 0 HB VAL A 78 0.644 11.017 -13.990 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.909 11.997 -12.121 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.946 11.697 -13.536 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.400 13.350 -13.168 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.482 12.544 -12.419 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.088 13.918 -13.480 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.185 12.638 -14.051 1.00 0.00 H new ATOM 1303 N ALA A 79 0.270 14.667 -16.063 1.00 0.00 N ATOM 1304 CA ALA A 79 0.271 16.120 -16.184 1.00 0.00 C ATOM 1305 C ALA A 79 -0.054 16.782 -14.850 1.00 0.00 C ATOM 1306 O ALA A 79 -0.756 16.211 -14.016 1.00 0.00 O ATOM 1307 CB ALA A 79 -0.720 16.562 -17.251 1.00 0.00 C ATOM 0 H ALA A 79 -0.574 14.215 -16.416 1.00 0.00 H new ATOM 0 HA ALA A 79 1.271 16.434 -16.481 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.708 17.649 -17.330 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.441 16.125 -18.210 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.721 16.229 -16.978 1.00 0.00 H new ATOM 1313 N LYS A 80 0.462 17.991 -14.654 1.00 0.00 N ATOM 1314 CA LYS A 80 0.227 18.733 -13.421 1.00 0.00 C ATOM 1315 C LYS A 80 -0.831 19.813 -13.629 1.00 0.00 C ATOM 1316 O LYS A 80 -1.188 20.136 -14.763 1.00 0.00 O ATOM 1317 CB LYS A 80 1.528 19.367 -12.926 1.00 0.00 C ATOM 1318 CG LYS A 80 1.981 20.555 -13.758 1.00 0.00 C ATOM 1319 CD LYS A 80 3.473 20.503 -14.040 1.00 0.00 C ATOM 1320 CE LYS A 80 4.285 20.880 -12.810 1.00 0.00 C ATOM 1321 NZ LYS A 80 4.699 19.681 -12.030 1.00 0.00 N ATOM 0 H LYS A 80 1.046 18.478 -15.334 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.137 18.033 -12.669 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.396 19.687 -11.892 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.314 18.612 -12.928 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.432 20.571 -14.700 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.741 21.480 -13.234 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.748 19.500 -14.366 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.714 21.181 -14.859 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.170 21.438 -13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.696 21.541 -12.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.373 19.964 -11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.863 19.248 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.151 18.992 -12.665 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.327 20.368 -12.529 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.342 21.414 -12.591 1.00 0.00 C ATOM 1337 C LEU A 81 -1.702 22.784 -12.793 1.00 0.00 C ATOM 1338 O LEU A 81 -2.218 23.617 -13.535 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.181 21.414 -11.312 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.072 20.190 -11.094 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -4.920 20.364 -9.843 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -4.954 19.948 -12.310 1.00 0.00 C ATOM 0 H LEU A 81 -1.043 20.111 -11.584 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.989 21.207 -13.443 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.508 21.505 -10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.813 22.302 -11.316 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.432 19.318 -10.956 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.548 19.484 -9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.270 20.487 -8.977 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.551 21.246 -9.951 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.581 19.073 -12.137 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.586 20.819 -12.480 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.328 19.778 -13.186 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.573 23.007 -12.128 1.00 0.00 N ATOM 1355 CA ASN A 82 0.139 24.276 -12.235 1.00 0.00 C ATOM 1356 C ASN A 82 1.568 24.058 -12.722 1.00 0.00 C ATOM 1357 O ASN A 82 2.366 23.391 -12.063 1.00 0.00 O ATOM 1358 CB ASN A 82 0.152 24.993 -10.884 1.00 0.00 C ATOM 1359 CG ASN A 82 -1.131 24.781 -10.104 1.00 0.00 C ATOM 1360 OD1 ASN A 82 -2.033 25.619 -10.131 1.00 0.00 O ATOM 1361 ND2 ASN A 82 -1.219 23.656 -9.403 1.00 0.00 N ATOM 0 H ASN A 82 -0.132 22.326 -11.510 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.383 24.897 -12.963 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.996 24.635 -10.294 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.305 26.060 -11.044 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.059 23.459 -8.858 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.447 22.989 -9.409 1.00 0.00 H new ATOM 1368 N LYS A 83 1.885 24.625 -13.881 1.00 0.00 N ATOM 1369 CA LYS A 83 3.218 24.495 -14.457 1.00 0.00 C ATOM 1370 C LYS A 83 4.266 25.143 -13.557 1.00 0.00 C ATOM 1371 O LYS A 83 3.937 25.945 -12.685 1.00 0.00 O ATOM 1372 CB LYS A 83 3.260 25.134 -15.847 1.00 0.00 C ATOM 1373 CG LYS A 83 4.453 24.700 -16.681 1.00 0.00 C ATOM 1374 CD LYS A 83 4.166 24.815 -18.168 1.00 0.00 C ATOM 1375 CE LYS A 83 4.928 23.767 -18.966 1.00 0.00 C ATOM 1376 NZ LYS A 83 5.302 24.264 -20.319 1.00 0.00 N ATOM 0 H LYS A 83 1.236 25.179 -14.440 1.00 0.00 H new ATOM 0 HA LYS A 83 3.446 23.433 -14.544 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.344 24.883 -16.381 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.279 26.218 -15.739 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.317 25.314 -16.428 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.712 23.669 -16.438 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.096 24.700 -18.343 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.441 25.810 -18.517 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.828 23.481 -18.423 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.316 22.870 -19.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.819 23.521 -20.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.442 24.514 -20.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.907 25.105 -20.225 1.00 0.00 H new ATOM 1390 N ASN A 84 5.528 24.789 -13.776 1.00 0.00 N ATOM 1391 CA ASN A 84 6.623 25.338 -12.985 1.00 0.00 C ATOM 1392 C ASN A 84 6.477 24.955 -11.515 1.00 0.00 C ATOM 1393 O ASN A 84 7.096 25.562 -10.642 1.00 0.00 O ATOM 1394 CB ASN A 84 6.669 26.860 -13.125 1.00 0.00 C ATOM 1395 CG ASN A 84 7.615 27.312 -14.220 1.00 0.00 C ATOM 1396 OD1 ASN A 84 8.402 28.240 -14.032 1.00 0.00 O ATOM 1397 ND2 ASN A 84 7.542 26.656 -15.373 1.00 0.00 N ATOM 0 H ASN A 84 5.818 24.125 -14.494 1.00 0.00 H new ATOM 0 HA ASN A 84 7.556 24.918 -13.361 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.667 27.233 -13.338 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.978 27.300 -12.177 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.154 26.915 -16.147 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.874 25.893 -15.484 1.00 0.00 H new ATOM 1404 N GLU A 85 5.655 23.944 -11.251 1.00 0.00 N ATOM 1405 CA GLU A 85 5.428 23.481 -9.887 1.00 0.00 C ATOM 1406 C GLU A 85 6.307 22.276 -9.568 1.00 0.00 C ATOM 1407 O GLU A 85 6.282 21.270 -10.278 1.00 0.00 O ATOM 1408 CB GLU A 85 3.955 23.119 -9.686 1.00 0.00 C ATOM 1409 CG GLU A 85 3.630 22.648 -8.279 1.00 0.00 C ATOM 1410 CD GLU A 85 2.573 21.561 -8.257 1.00 0.00 C ATOM 1411 OE1 GLU A 85 2.920 20.390 -8.517 1.00 0.00 O ATOM 1412 OE2 GLU A 85 1.398 21.882 -7.980 1.00 0.00 O ATOM 0 H GLU A 85 5.136 23.430 -11.963 1.00 0.00 H new ATOM 0 HA GLU A 85 5.692 24.291 -9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.341 23.989 -9.920 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.682 22.336 -10.394 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.539 22.276 -7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.286 23.496 -7.686 1.00 0.00 H new ATOM 1419 N TYR A 86 7.085 22.385 -8.497 1.00 0.00 N ATOM 1420 CA TYR A 86 7.974 21.306 -8.085 1.00 0.00 C ATOM 1421 C TYR A 86 7.371 20.514 -6.928 1.00 0.00 C ATOM 1422 O TYR A 86 6.280 20.824 -6.450 1.00 0.00 O ATOM 1423 CB TYR A 86 9.337 21.868 -7.677 1.00 0.00 C ATOM 1424 CG TYR A 86 9.341 22.513 -6.309 1.00 0.00 C ATOM 1425 CD1 TYR A 86 8.969 23.842 -6.145 1.00 0.00 C ATOM 1426 CD2 TYR A 86 9.717 21.794 -5.181 1.00 0.00 C ATOM 1427 CE1 TYR A 86 8.972 24.435 -4.898 1.00 0.00 C ATOM 1428 CE2 TYR A 86 9.721 22.379 -3.930 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.349 23.700 -3.793 1.00 0.00 C ATOM 1430 OH TYR A 86 9.352 24.287 -2.549 1.00 0.00 O ATOM 0 H TYR A 86 7.118 23.210 -7.898 1.00 0.00 H new ATOM 0 HA TYR A 86 8.104 20.633 -8.933 1.00 0.00 H new ATOM 0 HB2 TYR A 86 10.072 21.063 -7.692 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.654 22.603 -8.417 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.673 24.421 -7.007 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.011 20.760 -5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.681 25.469 -4.788 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.014 21.805 -3.063 1.00 0.00 H new ATOM 0 HH TYR A 86 9.641 23.633 -1.879 1.00 0.00 H new ATOM 1440 N PHE A 87 8.091 19.490 -6.483 1.00 0.00 N ATOM 1441 CA PHE A 87 7.629 18.652 -5.382 1.00 0.00 C ATOM 1442 C PHE A 87 8.735 18.448 -4.352 1.00 0.00 C ATOM 1443 O PHE A 87 9.919 18.555 -4.668 1.00 0.00 O ATOM 1444 CB PHE A 87 7.152 17.297 -5.910 1.00 0.00 C ATOM 1445 CG PHE A 87 5.940 17.390 -6.792 1.00 0.00 C ATOM 1446 CD1 PHE A 87 6.025 17.959 -8.052 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.715 16.908 -6.360 1.00 0.00 C ATOM 1448 CE1 PHE A 87 4.911 18.046 -8.866 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.598 16.991 -7.170 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.696 17.562 -8.424 1.00 0.00 C ATOM 0 H PHE A 87 8.996 19.220 -6.867 1.00 0.00 H new ATOM 0 HA PHE A 87 6.795 19.160 -4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.962 16.828 -6.468 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.928 16.646 -5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.973 18.339 -8.403 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.632 16.463 -5.380 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.991 18.492 -9.846 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.649 16.610 -6.823 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.824 17.630 -9.057 1.00 0.00 H new ATOM 1460 N GLU A 88 8.339 18.155 -3.117 1.00 0.00 N ATOM 1461 CA GLU A 88 9.297 17.938 -2.039 1.00 0.00 C ATOM 1462 C GLU A 88 9.216 16.505 -1.520 1.00 0.00 C ATOM 1463 O GLU A 88 10.237 15.871 -1.254 1.00 0.00 O ATOM 1464 CB GLU A 88 9.043 18.922 -0.896 1.00 0.00 C ATOM 1465 CG GLU A 88 10.245 19.122 0.013 1.00 0.00 C ATOM 1466 CD GLU A 88 10.394 18.012 1.035 1.00 0.00 C ATOM 1467 OE1 GLU A 88 9.393 17.685 1.707 1.00 0.00 O ATOM 1468 OE2 GLU A 88 11.512 17.470 1.163 1.00 0.00 O ATOM 0 H GLU A 88 7.362 18.063 -2.838 1.00 0.00 H new ATOM 0 HA GLU A 88 10.298 18.106 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.751 19.885 -1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.203 18.565 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.149 19.177 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.150 20.077 0.530 1.00 0.00 H new ATOM 1475 N ASP A 89 7.995 16.003 -1.376 1.00 0.00 N ATOM 1476 CA ASP A 89 7.779 14.645 -0.888 1.00 0.00 C ATOM 1477 C ASP A 89 8.429 13.625 -1.817 1.00 0.00 C ATOM 1478 O ASP A 89 8.729 12.501 -1.410 1.00 0.00 O ATOM 1479 CB ASP A 89 6.282 14.358 -0.762 1.00 0.00 C ATOM 1480 CG ASP A 89 5.634 15.143 0.361 1.00 0.00 C ATOM 1481 OD1 ASP A 89 5.736 16.388 0.352 1.00 0.00 O ATOM 1482 OD2 ASP A 89 5.025 14.512 1.250 1.00 0.00 O ATOM 0 H ASP A 89 7.139 16.515 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 89 8.241 14.560 0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.788 14.601 -1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.133 13.292 -0.589 1.00 0.00 H new ATOM 1487 N LEU A 90 8.644 14.022 -3.066 1.00 0.00 N ATOM 1488 CA LEU A 90 9.258 13.142 -4.054 1.00 0.00 C ATOM 1489 C LEU A 90 10.677 12.764 -3.640 1.00 0.00 C ATOM 1490 O LEU A 90 11.214 11.748 -4.081 1.00 0.00 O ATOM 1491 CB LEU A 90 9.278 13.817 -5.426 1.00 0.00 C ATOM 1492 CG LEU A 90 8.058 13.569 -6.314 1.00 0.00 C ATOM 1493 CD1 LEU A 90 6.801 14.122 -5.661 1.00 0.00 C ATOM 1494 CD2 LEU A 90 8.264 14.189 -7.689 1.00 0.00 C ATOM 0 H LEU A 90 8.402 14.948 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 90 8.662 12.232 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.382 14.892 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.166 13.481 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 90 7.935 12.493 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.943 13.936 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.644 13.632 -4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.913 15.195 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.386 14.003 -8.307 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.413 15.264 -7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.141 13.745 -8.161 1.00 0.00 H new ATOM 1506 N ASP A 91 11.278 13.588 -2.789 1.00 0.00 N ATOM 1507 CA ASP A 91 12.634 13.339 -2.312 1.00 0.00 C ATOM 1508 C ASP A 91 12.662 12.160 -1.345 1.00 0.00 C ATOM 1509 O ASP A 91 13.667 11.457 -1.235 1.00 0.00 O ATOM 1510 CB ASP A 91 13.194 14.588 -1.630 1.00 0.00 C ATOM 1511 CG ASP A 91 14.668 14.794 -1.920 1.00 0.00 C ATOM 1512 OD1 ASP A 91 15.432 13.810 -1.835 1.00 0.00 O ATOM 1513 OD2 ASP A 91 15.058 15.939 -2.230 1.00 0.00 O ATOM 0 H ASP A 91 10.848 14.434 -2.415 1.00 0.00 H new ATOM 0 HA ASP A 91 13.257 13.094 -3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.635 15.462 -1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.046 14.508 -0.553 1.00 0.00 H new ATOM 1518 N LEU A 92 11.553 11.950 -0.645 1.00 0.00 N ATOM 1519 CA LEU A 92 11.450 10.856 0.315 1.00 0.00 C ATOM 1520 C LEU A 92 10.462 9.799 -0.168 1.00 0.00 C ATOM 1521 O LEU A 92 9.271 10.059 -0.341 1.00 0.00 O ATOM 1522 CB LEU A 92 11.015 11.389 1.681 1.00 0.00 C ATOM 1523 CG LEU A 92 11.769 12.617 2.193 1.00 0.00 C ATOM 1524 CD1 LEU A 92 13.245 12.523 1.840 1.00 0.00 C ATOM 1525 CD2 LEU A 92 11.163 13.891 1.623 1.00 0.00 C ATOM 0 H LEU A 92 10.712 12.522 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 92 12.433 10.394 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.954 11.633 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.125 10.589 2.413 1.00 0.00 H new ATOM 0 HG LEU A 92 11.677 12.649 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.765 13.406 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.672 11.630 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.357 12.466 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.712 14.755 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.223 13.867 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.119 13.965 1.927 1.00 0.00 H new ATOM 1537 N PRO A 93 10.966 8.575 -0.390 1.00 0.00 N ATOM 1538 CA PRO A 93 10.145 7.453 -0.853 1.00 0.00 C ATOM 1539 C PRO A 93 9.173 6.966 0.216 1.00 0.00 C ATOM 1540 O PRO A 93 8.287 6.155 -0.058 1.00 0.00 O ATOM 1541 CB PRO A 93 11.176 6.368 -1.173 1.00 0.00 C ATOM 1542 CG PRO A 93 12.349 6.694 -0.315 1.00 0.00 C ATOM 1543 CD PRO A 93 12.376 8.194 -0.204 1.00 0.00 C ATOM 0 HA PRO A 93 9.519 7.729 -1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.787 5.374 -0.950 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.444 6.376 -2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.255 6.232 0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.272 6.319 -0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.756 8.518 0.765 1.00 0.00 H new ATOM 0 HD3 PRO A 93 13.017 8.642 -0.964 1.00 0.00 H new ATOM 1551 N THR A 94 9.342 7.466 1.436 1.00 0.00 N ATOM 1552 CA THR A 94 8.480 7.081 2.546 1.00 0.00 C ATOM 1553 C THR A 94 7.339 8.076 2.727 1.00 0.00 C ATOM 1554 O THR A 94 6.351 7.787 3.401 1.00 0.00 O ATOM 1555 CB THR A 94 9.272 6.980 3.863 1.00 0.00 C ATOM 1556 OG1 THR A 94 9.861 8.247 4.179 1.00 0.00 O ATOM 1557 CG2 THR A 94 10.359 5.921 3.761 1.00 0.00 C ATOM 0 H THR A 94 10.069 8.139 1.680 1.00 0.00 H new ATOM 0 HA THR A 94 8.069 6.102 2.302 1.00 0.00 H new ATOM 0 HB THR A 94 8.581 6.693 4.656 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.361 8.175 5.019 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.905 5.868 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.905 4.953 3.550 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.047 6.182 2.957 1.00 0.00 H new ATOM 1565 N LYS A 95 7.482 9.249 2.120 1.00 0.00 N ATOM 1566 CA LYS A 95 6.463 10.288 2.212 1.00 0.00 C ATOM 1567 C LYS A 95 5.232 9.917 1.391 1.00 0.00 C ATOM 1568 O LYS A 95 4.133 10.412 1.643 1.00 0.00 O ATOM 1569 CB LYS A 95 7.025 11.627 1.730 1.00 0.00 C ATOM 1570 CG LYS A 95 7.366 12.585 2.858 1.00 0.00 C ATOM 1571 CD LYS A 95 8.359 11.971 3.831 1.00 0.00 C ATOM 1572 CE LYS A 95 9.269 13.026 4.439 1.00 0.00 C ATOM 1573 NZ LYS A 95 8.593 13.780 5.531 1.00 0.00 N ATOM 0 H LYS A 95 8.294 9.504 1.559 1.00 0.00 H new ATOM 0 HA LYS A 95 6.167 10.380 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.921 11.443 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.298 12.100 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.782 13.503 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.456 12.860 3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.820 11.453 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.961 11.224 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.168 12.549 4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.589 13.721 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.247 14.490 5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.749 14.257 5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.310 13.121 6.284 1.00 0.00 H new ATOM 1587 N LEU A 96 5.423 9.041 0.411 1.00 0.00 N ATOM 1588 CA LEU A 96 4.327 8.601 -0.446 1.00 0.00 C ATOM 1589 C LEU A 96 3.590 7.419 0.175 1.00 0.00 C ATOM 1590 O LEU A 96 2.360 7.402 0.234 1.00 0.00 O ATOM 1591 CB LEU A 96 4.857 8.217 -1.829 1.00 0.00 C ATOM 1592 CG LEU A 96 5.664 9.290 -2.561 1.00 0.00 C ATOM 1593 CD1 LEU A 96 5.040 10.661 -2.352 1.00 0.00 C ATOM 1594 CD2 LEU A 96 7.111 9.283 -2.090 1.00 0.00 C ATOM 0 H LEU A 96 6.326 8.621 0.190 1.00 0.00 H new ATOM 0 HA LEU A 96 3.625 9.429 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.482 7.330 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.010 7.937 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 96 5.649 9.065 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.627 11.412 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.021 10.660 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.024 10.895 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.670 10.053 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.146 9.483 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.555 8.308 -2.292 1.00 0.00 H new ATOM 1606 N LEU A 97 4.350 6.433 0.640 1.00 0.00 N ATOM 1607 CA LEU A 97 3.769 5.247 1.260 1.00 0.00 C ATOM 1608 C LEU A 97 2.957 5.621 2.496 1.00 0.00 C ATOM 1609 O LEU A 97 1.976 4.958 2.830 1.00 0.00 O ATOM 1610 CB LEU A 97 4.870 4.256 1.639 1.00 0.00 C ATOM 1611 CG LEU A 97 5.228 3.212 0.580 1.00 0.00 C ATOM 1612 CD1 LEU A 97 5.511 3.883 -0.755 1.00 0.00 C ATOM 1613 CD2 LEU A 97 6.425 2.387 1.029 1.00 0.00 C ATOM 0 H LEU A 97 5.369 6.431 0.599 1.00 0.00 H new ATOM 0 HA LEU A 97 3.100 4.779 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.770 4.820 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.565 3.734 2.546 1.00 0.00 H new ATOM 0 HG LEU A 97 4.377 2.542 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.764 3.125 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.627 4.430 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.346 4.575 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.666 1.649 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.282 3.043 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.186 1.877 1.962 1.00 0.00 H new