USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 604 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 7 SER OG : rot 27:sc= 0.215 USER MOD Single : A 11 ASN : amide:sc=-0.00134 X(o=-0.0013,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.435 X(o=-0.44,f=-0.44) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 130:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc=-0.00444 USER MOD Single : A 31 HIS : no HD1:sc= -0.257 X(o=-0.26,f=0.0012) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.925 USER MOD Single : A 40 MET CE :methyl 164:sc= -0.224 (180deg=-0.743) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -57:sc= 0.892 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00519 USER MOD Single : A 49 THR OG1 : rot -93:sc= 1.27 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 55 HIS : no HD1:sc= -0.0245 X(o=-0.025,f=-0.009) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.25) USER MOD Single : A 64 GLN : amide:sc= -0.779 K(o=-0.78,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.375 K(o=-0.37,f=-1.1) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 163:sc= -1.08 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0234) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 61:sc= 0.709 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 -17.638 35.538 -11.617 1.00 0.00 N ATOM 2 CA SER A 7 -17.991 34.420 -10.781 1.00 0.00 C ATOM 3 C SER A 7 -17.668 33.134 -11.517 1.00 0.00 C ATOM 4 O SER A 7 -17.935 33.025 -12.717 1.00 0.00 O ATOM 5 CB SER A 7 -19.472 34.510 -10.457 1.00 0.00 C ATOM 6 OG SER A 7 -19.770 35.792 -9.911 1.00 0.00 O ATOM 0 HA SER A 7 -17.426 34.433 -9.849 1.00 0.00 H new ATOM 0 HB2 SER A 7 -20.062 34.343 -11.358 1.00 0.00 H new ATOM 0 HB3 SER A 7 -19.746 33.730 -9.747 1.00 0.00 H new ATOM 0 HG SER A 7 -19.123 36.448 -10.245 1.00 0.00 H new ATOM 12 N GLY A 8 -17.094 32.175 -10.826 1.00 0.00 N ATOM 13 CA GLY A 8 -16.736 30.944 -11.475 1.00 0.00 C ATOM 14 C GLY A 8 -15.392 30.435 -11.053 1.00 0.00 C ATOM 15 O GLY A 8 -14.910 29.420 -11.569 1.00 0.00 O ATOM 0 H GLY A 8 -16.870 32.225 -9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -17.491 30.189 -11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -16.740 31.093 -12.555 1.00 0.00 H new ATOM 19 N ARG A 9 -14.771 31.118 -10.117 1.00 0.00 N ATOM 20 CA ARG A 9 -13.502 30.683 -9.592 1.00 0.00 C ATOM 21 C ARG A 9 -13.702 29.657 -8.511 1.00 0.00 C ATOM 22 O ARG A 9 -13.550 29.922 -7.320 1.00 0.00 O ATOM 23 CB ARG A 9 -12.637 31.833 -9.107 1.00 0.00 C ATOM 24 CG ARG A 9 -12.081 32.696 -10.214 1.00 0.00 C ATOM 25 CD ARG A 9 -11.218 33.792 -9.646 1.00 0.00 C ATOM 26 NE ARG A 9 -10.498 34.523 -10.683 1.00 0.00 N ATOM 27 CZ ARG A 9 -9.691 35.553 -10.453 1.00 0.00 C ATOM 28 NH1 ARG A 9 -9.599 36.068 -9.226 1.00 0.00 N1+ ATOM 29 NH2 ARG A 9 -8.988 36.070 -11.445 1.00 0.00 N ATOM 0 H ARG A 9 -15.128 31.980 -9.704 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.958 30.222 -10.416 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.225 32.458 -8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.809 31.430 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.497 32.084 -10.901 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.898 33.130 -10.790 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.841 34.486 -9.081 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.503 33.362 -8.945 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.623 34.223 -11.650 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.148 35.671 -8.464 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.979 36.859 -9.050 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.066 35.678 -12.384 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.367 36.861 -11.272 1.00 0.00 H new ATOM 43 N GLU A 10 -14.127 28.521 -8.939 1.00 0.00 N ATOM 44 CA GLU A 10 -14.356 27.396 -8.117 1.00 0.00 C ATOM 45 C GLU A 10 -13.590 26.232 -8.706 1.00 0.00 C ATOM 46 O GLU A 10 -13.980 25.068 -8.625 1.00 0.00 O ATOM 47 CB GLU A 10 -15.842 27.162 -8.014 1.00 0.00 C ATOM 48 CG GLU A 10 -16.538 27.011 -9.327 1.00 0.00 C ATOM 49 CD GLU A 10 -18.028 26.956 -9.170 1.00 0.00 C ATOM 50 OE1 GLU A 10 -18.556 25.956 -8.650 1.00 0.00 O1- ATOM 51 OE2 GLU A 10 -18.707 27.945 -9.515 1.00 0.00 O ATOM 0 H GLU A 10 -14.333 28.347 -9.923 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.998 27.540 -7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.015 26.265 -7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.291 27.994 -7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.272 27.845 -9.976 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.191 26.102 -9.819 1.00 0.00 H new ATOM 58 N ASN A 11 -12.445 26.597 -9.244 1.00 0.00 N ATOM 59 CA ASN A 11 -11.508 25.693 -9.888 1.00 0.00 C ATOM 60 C ASN A 11 -10.940 24.754 -8.843 1.00 0.00 C ATOM 61 O ASN A 11 -10.766 23.564 -9.080 1.00 0.00 O ATOM 62 CB ASN A 11 -10.384 26.507 -10.541 1.00 0.00 C ATOM 63 CG ASN A 11 -9.381 25.660 -11.292 1.00 0.00 C ATOM 64 OD1 ASN A 11 -9.550 25.398 -12.481 1.00 0.00 O ATOM 65 ND2 ASN A 11 -8.314 25.267 -10.640 1.00 0.00 N ATOM 0 H ASN A 11 -12.127 27.566 -9.246 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.013 25.111 -10.659 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.823 27.231 -11.228 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.863 27.075 -9.770 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.594 24.727 -11.119 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.204 25.501 -9.653 1.00 0.00 H new ATOM 72 N LEU A 12 -10.649 25.309 -7.705 1.00 0.00 N ATOM 73 CA LEU A 12 -10.235 24.584 -6.572 1.00 0.00 C ATOM 74 C LEU A 12 -10.983 25.216 -5.414 1.00 0.00 C ATOM 75 O LEU A 12 -10.523 26.187 -4.811 1.00 0.00 O ATOM 76 CB LEU A 12 -8.707 24.695 -6.394 1.00 0.00 C ATOM 77 CG LEU A 12 -8.029 23.613 -5.575 1.00 0.00 C ATOM 78 CD1 LEU A 12 -6.518 23.749 -5.660 1.00 0.00 C ATOM 79 CD2 LEU A 12 -8.477 23.589 -4.115 1.00 0.00 C ATOM 0 H LEU A 12 -10.700 26.316 -7.549 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.451 23.518 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.251 24.707 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.489 25.657 -5.931 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.336 22.662 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.048 22.965 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.202 23.656 -6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.218 24.724 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.954 22.792 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.246 24.546 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.551 23.411 -4.067 1.00 0.00 H new ATOM 91 N TYR A 13 -12.180 24.750 -5.201 1.00 0.00 N ATOM 92 CA TYR A 13 -13.029 25.285 -4.168 1.00 0.00 C ATOM 93 C TYR A 13 -13.296 24.198 -3.167 1.00 0.00 C ATOM 94 O TYR A 13 -13.706 23.091 -3.535 1.00 0.00 O ATOM 95 CB TYR A 13 -14.338 25.793 -4.794 1.00 0.00 C ATOM 96 CG TYR A 13 -15.272 26.544 -3.861 1.00 0.00 C ATOM 97 CD1 TYR A 13 -14.995 27.849 -3.475 1.00 0.00 C ATOM 98 CD2 TYR A 13 -16.446 25.960 -3.397 1.00 0.00 C ATOM 99 CE1 TYR A 13 -15.857 28.551 -2.652 1.00 0.00 C ATOM 100 CE2 TYR A 13 -17.311 26.653 -2.570 1.00 0.00 C ATOM 101 CZ TYR A 13 -17.011 27.949 -2.202 1.00 0.00 C ATOM 102 OH TYR A 13 -17.880 28.650 -1.383 1.00 0.00 O ATOM 0 H TYR A 13 -12.598 23.989 -5.737 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.547 26.124 -3.666 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -14.089 26.446 -5.630 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.876 24.939 -5.206 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.090 28.324 -3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.686 24.948 -3.688 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.626 29.566 -2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -18.216 26.183 -2.214 1.00 0.00 H new ATOM 0 HH TYR A 13 -18.646 28.082 -1.156 1.00 0.00 H new ATOM 112 N PHE A 14 -13.049 24.476 -1.928 1.00 0.00 N ATOM 113 CA PHE A 14 -13.228 23.498 -0.913 1.00 0.00 C ATOM 114 C PHE A 14 -14.558 23.714 -0.226 1.00 0.00 C ATOM 115 O PHE A 14 -14.753 24.689 0.510 1.00 0.00 O ATOM 116 CB PHE A 14 -12.073 23.535 0.084 1.00 0.00 C ATOM 117 CG PHE A 14 -11.970 22.309 0.952 1.00 0.00 C ATOM 118 CD1 PHE A 14 -12.642 22.221 2.155 1.00 0.00 C ATOM 119 CD2 PHE A 14 -11.186 21.238 0.550 1.00 0.00 C ATOM 120 CE1 PHE A 14 -12.537 21.095 2.939 1.00 0.00 C ATOM 121 CE2 PHE A 14 -11.077 20.109 1.331 1.00 0.00 C ATOM 122 CZ PHE A 14 -11.754 20.037 2.526 1.00 0.00 C ATOM 0 H PHE A 14 -12.720 25.382 -1.596 1.00 0.00 H new ATOM 0 HA PHE A 14 -13.232 22.508 -1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.139 23.659 -0.463 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -12.187 24.411 0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -13.257 23.045 2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -10.654 21.290 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.068 21.040 3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.462 19.283 1.006 1.00 0.00 H new ATOM 0 HZ PHE A 14 -11.673 19.153 3.141 1.00 0.00 H new ATOM 132 N GLN A 15 -15.471 22.833 -0.502 1.00 0.00 N ATOM 133 CA GLN A 15 -16.761 22.854 0.091 1.00 0.00 C ATOM 134 C GLN A 15 -17.053 21.444 0.505 1.00 0.00 C ATOM 135 O GLN A 15 -17.309 20.568 -0.327 1.00 0.00 O ATOM 136 CB GLN A 15 -17.816 23.347 -0.895 1.00 0.00 C ATOM 137 CG GLN A 15 -19.093 23.921 -0.252 1.00 0.00 C ATOM 138 CD GLN A 15 -19.836 22.964 0.676 1.00 0.00 C ATOM 139 OE1 GLN A 15 -19.588 22.931 1.889 1.00 0.00 O ATOM 140 NE2 GLN A 15 -20.728 22.189 0.132 1.00 0.00 N ATOM 0 H GLN A 15 -15.331 22.066 -1.160 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.785 23.537 0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -17.370 24.114 -1.527 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -18.096 22.520 -1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -18.827 24.816 0.311 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -19.772 24.234 -1.045 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.907 22.243 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -21.249 21.528 0.708 1.00 0.00 H new ATOM 149 N GLY A 16 -16.902 21.212 1.743 1.00 0.00 N ATOM 150 CA GLY A 16 -17.175 19.932 2.306 1.00 0.00 C ATOM 151 C GLY A 16 -16.634 19.861 3.689 1.00 0.00 C ATOM 152 O GLY A 16 -15.625 20.487 3.988 1.00 0.00 O ATOM 0 H GLY A 16 -16.581 21.907 2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.250 19.752 2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.727 19.152 1.691 1.00 0.00 H new ATOM 156 N HIS A 17 -17.274 19.109 4.535 1.00 0.00 N ATOM 157 CA HIS A 17 -16.849 18.999 5.923 1.00 0.00 C ATOM 158 C HIS A 17 -15.983 17.768 6.076 1.00 0.00 C ATOM 159 O HIS A 17 -15.647 17.336 7.172 1.00 0.00 O ATOM 160 CB HIS A 17 -18.066 18.930 6.849 1.00 0.00 C ATOM 161 CG HIS A 17 -18.946 20.153 6.791 1.00 0.00 C ATOM 162 ND1 HIS A 17 -18.949 21.155 7.739 1.00 0.00 N ATOM 163 CD2 HIS A 17 -19.865 20.518 5.863 1.00 0.00 C ATOM 164 CE1 HIS A 17 -19.839 22.073 7.371 1.00 0.00 C ATOM 165 NE2 HIS A 17 -20.431 21.732 6.231 1.00 0.00 N ATOM 0 H HIS A 17 -18.098 18.555 4.299 1.00 0.00 H new ATOM 0 HA HIS A 17 -16.270 19.880 6.201 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -18.660 18.054 6.588 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -17.723 18.789 7.874 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -20.117 19.954 4.977 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -20.052 22.975 7.925 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -21.151 22.253 5.731 1.00 0.00 H new ATOM 173 N MET A 18 -15.609 17.244 4.948 1.00 0.00 N ATOM 174 CA MET A 18 -14.803 16.075 4.824 1.00 0.00 C ATOM 175 C MET A 18 -13.602 16.442 4.016 1.00 0.00 C ATOM 176 O MET A 18 -13.473 17.603 3.589 1.00 0.00 O ATOM 177 CB MET A 18 -15.553 14.994 4.033 1.00 0.00 C ATOM 178 CG MET A 18 -16.834 14.482 4.653 1.00 0.00 C ATOM 179 SD MET A 18 -18.228 15.640 4.518 1.00 0.00 S ATOM 180 CE MET A 18 -19.529 14.691 5.302 1.00 0.00 C ATOM 0 H MET A 18 -15.873 17.643 4.047 1.00 0.00 H new ATOM 0 HA MET A 18 -14.547 15.705 5.817 1.00 0.00 H new ATOM 0 HB2 MET A 18 -15.785 15.391 3.045 1.00 0.00 H new ATOM 0 HB3 MET A 18 -14.881 14.148 3.887 1.00 0.00 H new ATOM 0 HG2 MET A 18 -17.107 13.541 4.175 1.00 0.00 H new ATOM 0 HG3 MET A 18 -16.655 14.264 5.706 1.00 0.00 H new ATOM 0 HE1 MET A 18 -20.454 15.268 5.298 1.00 0.00 H new ATOM 0 HE2 MET A 18 -19.680 13.760 4.756 1.00 0.00 H new ATOM 0 HE3 MET A 18 -19.246 14.466 6.330 1.00 0.00 H new ATOM 190 N ALA A 19 -12.731 15.492 3.792 1.00 0.00 N ATOM 191 CA ALA A 19 -11.682 15.645 2.839 1.00 0.00 C ATOM 192 C ALA A 19 -12.340 15.450 1.488 1.00 0.00 C ATOM 193 O ALA A 19 -12.482 14.314 1.011 1.00 0.00 O ATOM 194 CB ALA A 19 -10.569 14.629 3.065 1.00 0.00 C ATOM 0 H ALA A 19 -12.736 14.591 4.271 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.206 16.622 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.786 14.775 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.151 14.764 4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.973 13.621 2.974 1.00 0.00 H new ATOM 200 N ALA A 20 -12.860 16.562 0.987 1.00 0.00 N ATOM 201 CA ALA A 20 -13.689 16.683 -0.206 1.00 0.00 C ATOM 202 C ALA A 20 -13.458 15.637 -1.295 1.00 0.00 C ATOM 203 O ALA A 20 -12.411 15.617 -1.972 1.00 0.00 O ATOM 204 CB ALA A 20 -13.586 18.081 -0.770 1.00 0.00 C ATOM 0 H ALA A 20 -12.703 17.466 1.433 1.00 0.00 H new ATOM 0 HA ALA A 20 -14.703 16.480 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.209 18.161 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.925 18.800 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.549 18.292 -1.032 1.00 0.00 H new ATOM 210 N PRO A 21 -14.415 14.713 -1.423 1.00 0.00 N ATOM 211 CA PRO A 21 -14.437 13.740 -2.497 1.00 0.00 C ATOM 212 C PRO A 21 -14.785 14.431 -3.812 1.00 0.00 C ATOM 213 O PRO A 21 -15.460 15.468 -3.814 1.00 0.00 O ATOM 214 CB PRO A 21 -15.567 12.770 -2.100 1.00 0.00 C ATOM 215 CG PRO A 21 -15.911 13.098 -0.693 1.00 0.00 C ATOM 216 CD PRO A 21 -15.547 14.532 -0.501 1.00 0.00 C ATOM 0 HA PRO A 21 -13.479 13.239 -2.635 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.432 12.891 -2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -15.242 11.734 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.972 12.937 -0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.363 12.461 0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.377 15.195 -0.746 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -15.265 14.742 0.531 1.00 0.00 H new ATOM 224 N ALA A 22 -14.326 13.881 -4.910 1.00 0.00 N ATOM 225 CA ALA A 22 -14.606 14.448 -6.208 1.00 0.00 C ATOM 226 C ALA A 22 -16.062 14.220 -6.555 1.00 0.00 C ATOM 227 O ALA A 22 -16.593 13.103 -6.399 1.00 0.00 O ATOM 228 CB ALA A 22 -13.701 13.847 -7.263 1.00 0.00 C ATOM 0 H ALA A 22 -13.754 13.037 -4.931 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.412 15.520 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.930 14.289 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.661 14.049 -7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.860 12.770 -7.308 1.00 0.00 H new ATOM 234 N ARG A 23 -16.705 15.258 -6.982 1.00 0.00 N ATOM 235 CA ARG A 23 -18.109 15.232 -7.310 1.00 0.00 C ATOM 236 C ARG A 23 -18.263 15.056 -8.790 1.00 0.00 C ATOM 237 O ARG A 23 -19.012 14.194 -9.269 1.00 0.00 O ATOM 238 CB ARG A 23 -18.736 16.532 -6.855 1.00 0.00 C ATOM 239 CG ARG A 23 -18.734 16.691 -5.353 1.00 0.00 C ATOM 240 CD ARG A 23 -18.359 18.094 -4.942 1.00 0.00 C ATOM 241 NE ARG A 23 -16.938 18.396 -5.190 1.00 0.00 N ATOM 242 CZ ARG A 23 -16.109 18.935 -4.276 1.00 0.00 C ATOM 243 NH1 ARG A 23 -16.573 19.308 -3.082 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -14.841 19.126 -4.565 1.00 0.00 N ATOM 0 H ARG A 23 -16.268 16.170 -7.118 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.607 14.403 -6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.197 17.366 -7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.762 16.582 -7.219 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.721 16.448 -4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.032 15.983 -4.913 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.979 18.806 -5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.576 18.228 -3.882 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.558 18.183 -6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.560 19.185 -2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.940 19.716 -2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.483 18.866 -5.484 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.216 19.535 -3.870 1.00 0.00 H new ATOM 258 N PHE A 24 -17.543 15.842 -9.513 1.00 0.00 N ATOM 259 CA PHE A 24 -17.539 15.750 -10.935 1.00 0.00 C ATOM 260 C PHE A 24 -16.117 15.565 -11.378 1.00 0.00 C ATOM 261 O PHE A 24 -15.208 15.537 -10.562 1.00 0.00 O ATOM 262 CB PHE A 24 -18.113 17.027 -11.607 1.00 0.00 C ATOM 263 CG PHE A 24 -19.529 17.377 -11.253 1.00 0.00 C ATOM 264 CD1 PHE A 24 -20.583 16.874 -11.989 1.00 0.00 C ATOM 265 CD2 PHE A 24 -19.802 18.233 -10.200 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.882 17.216 -11.682 1.00 0.00 C ATOM 267 CE2 PHE A 24 -21.098 18.576 -9.885 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.140 18.068 -10.626 1.00 0.00 C ATOM 0 H PHE A 24 -16.937 16.570 -9.135 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.170 14.912 -11.231 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.475 17.870 -11.344 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.049 16.904 -12.688 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -20.387 16.205 -12.814 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.987 18.637 -9.617 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.698 16.818 -12.267 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -21.296 19.242 -9.058 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.158 18.335 -10.382 1.00 0.00 H new ATOM 278 N CYS A 25 -15.938 15.389 -12.621 1.00 0.00 N ATOM 279 CA CYS A 25 -14.651 15.395 -13.201 1.00 0.00 C ATOM 280 C CYS A 25 -14.755 16.289 -14.389 1.00 0.00 C ATOM 281 O CYS A 25 -15.779 16.277 -15.099 1.00 0.00 O ATOM 282 CB CYS A 25 -14.208 14.009 -13.622 1.00 0.00 C ATOM 283 SG CYS A 25 -12.456 13.907 -14.101 1.00 0.00 S ATOM 0 H CYS A 25 -16.696 15.232 -13.286 1.00 0.00 H new ATOM 0 HA CYS A 25 -13.907 15.740 -12.483 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.391 13.315 -12.801 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -14.823 13.681 -14.460 1.00 0.00 H new ATOM 288 N VAL A 26 -13.770 17.073 -14.585 1.00 0.00 N ATOM 289 CA VAL A 26 -13.774 18.055 -15.622 1.00 0.00 C ATOM 290 C VAL A 26 -12.805 17.635 -16.686 1.00 0.00 C ATOM 291 O VAL A 26 -11.639 17.374 -16.398 1.00 0.00 O ATOM 292 CB VAL A 26 -13.339 19.437 -15.094 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.751 20.518 -16.053 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.874 19.715 -13.704 1.00 0.00 C ATOM 0 H VAL A 26 -12.917 17.060 -14.026 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.789 18.133 -16.013 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.252 19.429 -15.018 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.437 21.487 -15.666 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.281 20.344 -17.021 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.835 20.508 -16.169 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.541 20.700 -13.376 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.964 19.688 -13.721 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.503 18.958 -13.013 1.00 0.00 H new ATOM 304 N TYR A 27 -13.282 17.546 -17.884 1.00 0.00 N ATOM 305 CA TYR A 27 -12.463 17.171 -18.995 1.00 0.00 C ATOM 306 C TYR A 27 -12.137 18.376 -19.826 1.00 0.00 C ATOM 307 O TYR A 27 -12.998 19.247 -20.044 1.00 0.00 O ATOM 308 CB TYR A 27 -13.124 16.092 -19.848 1.00 0.00 C ATOM 309 CG TYR A 27 -13.288 14.764 -19.132 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.342 14.546 -18.257 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.383 13.730 -19.330 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.486 13.342 -17.603 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.527 12.524 -18.678 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.580 12.336 -17.816 1.00 0.00 C ATOM 315 OH TYR A 27 -13.731 11.134 -17.164 1.00 0.00 O ATOM 0 H TYR A 27 -14.256 17.732 -18.123 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.538 16.750 -18.600 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.104 16.445 -20.169 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.529 15.938 -20.749 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.062 15.333 -18.086 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.553 13.873 -20.006 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.312 13.191 -16.923 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.814 11.730 -18.844 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.673 10.401 -17.812 1.00 0.00 H new ATOM 325 N TYR A 28 -10.914 18.444 -20.260 1.00 0.00 N ATOM 326 CA TYR A 28 -10.435 19.531 -21.067 1.00 0.00 C ATOM 327 C TYR A 28 -9.685 18.992 -22.275 1.00 0.00 C ATOM 328 O TYR A 28 -9.168 17.865 -22.250 1.00 0.00 O ATOM 329 CB TYR A 28 -9.464 20.427 -20.286 1.00 0.00 C ATOM 330 CG TYR A 28 -9.986 21.069 -19.019 1.00 0.00 C ATOM 331 CD1 TYR A 28 -10.585 22.319 -19.047 1.00 0.00 C ATOM 332 CD2 TYR A 28 -9.837 20.442 -17.788 1.00 0.00 C ATOM 333 CE1 TYR A 28 -11.024 22.926 -17.891 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.279 21.039 -16.629 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.870 22.283 -16.684 1.00 0.00 C ATOM 336 OH TYR A 28 -11.310 22.885 -15.521 1.00 0.00 O ATOM 0 H TYR A 28 -10.208 17.735 -20.061 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.306 20.111 -21.371 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.588 19.832 -20.028 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.125 21.220 -20.952 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.710 22.826 -19.992 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.367 19.471 -17.740 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -11.486 23.901 -17.932 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.163 20.535 -15.681 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.127 22.297 -14.759 1.00 0.00 H new ATOM 346 N ASP A 29 -9.657 19.784 -23.316 1.00 0.00 N ATOM 347 CA ASP A 29 -8.888 19.517 -24.514 1.00 0.00 C ATOM 348 C ASP A 29 -7.519 20.090 -24.293 1.00 0.00 C ATOM 349 O ASP A 29 -7.369 21.324 -24.156 1.00 0.00 O ATOM 350 CB ASP A 29 -9.523 20.208 -25.738 1.00 0.00 C ATOM 351 CG ASP A 29 -8.740 20.008 -27.038 1.00 0.00 C ATOM 352 OD1 ASP A 29 -7.669 20.613 -27.219 1.00 0.00 O ATOM 353 OD2 ASP A 29 -9.208 19.285 -27.930 1.00 0.00 O1- ATOM 0 H ASP A 29 -10.182 20.658 -23.359 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.856 18.444 -24.705 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.536 19.828 -25.873 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.608 21.276 -25.537 1.00 0.00 H new ATOM 358 N GLY A 30 -6.555 19.240 -24.192 1.00 0.00 N ATOM 359 CA GLY A 30 -5.213 19.658 -23.976 1.00 0.00 C ATOM 360 C GLY A 30 -4.774 19.281 -22.608 1.00 0.00 C ATOM 361 O GLY A 30 -5.528 19.400 -21.648 1.00 0.00 O ATOM 0 H GLY A 30 -6.677 18.229 -24.257 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.557 19.199 -24.716 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.135 20.737 -24.107 1.00 0.00 H new ATOM 365 N HIS A 31 -3.561 18.859 -22.507 1.00 0.00 N ATOM 366 CA HIS A 31 -3.038 18.372 -21.244 1.00 0.00 C ATOM 367 C HIS A 31 -2.259 19.467 -20.529 1.00 0.00 C ATOM 368 O HIS A 31 -1.704 19.257 -19.451 1.00 0.00 O ATOM 369 CB HIS A 31 -2.177 17.096 -21.438 1.00 0.00 C ATOM 370 CG HIS A 31 -0.885 17.287 -22.200 1.00 0.00 C ATOM 371 ND1 HIS A 31 0.361 17.079 -21.653 1.00 0.00 N ATOM 372 CD2 HIS A 31 -0.669 17.651 -23.486 1.00 0.00 C ATOM 373 CE1 HIS A 31 1.274 17.321 -22.594 1.00 0.00 C ATOM 374 NE2 HIS A 31 0.699 17.672 -23.733 1.00 0.00 N ATOM 0 H HIS A 31 -2.896 18.835 -23.280 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.883 18.094 -20.615 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.941 16.686 -20.456 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.778 16.350 -21.959 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.438 17.888 -24.206 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.341 17.241 -22.446 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.163 17.909 -24.610 1.00 0.00 H new ATOM 382 N LEU A 32 -2.221 20.628 -21.126 1.00 0.00 N ATOM 383 CA LEU A 32 -1.535 21.733 -20.548 1.00 0.00 C ATOM 384 C LEU A 32 -2.553 22.583 -19.805 1.00 0.00 C ATOM 385 O LEU A 32 -3.463 23.137 -20.422 1.00 0.00 O ATOM 386 CB LEU A 32 -0.846 22.563 -21.631 1.00 0.00 C ATOM 387 CG LEU A 32 0.051 23.691 -21.127 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.289 23.139 -20.431 1.00 0.00 C ATOM 389 CD2 LEU A 32 0.441 24.607 -22.257 1.00 0.00 C ATOM 0 H LEU A 32 -2.665 20.826 -22.023 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.767 21.376 -19.862 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.246 21.895 -22.249 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.612 22.993 -22.276 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.516 24.268 -20.397 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.909 23.965 -20.083 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.986 22.528 -19.580 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.858 22.528 -21.132 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.080 25.404 -21.876 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.981 24.040 -23.015 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.456 25.041 -22.699 1.00 0.00 H new ATOM 401 N PRO A 33 -2.407 22.726 -18.476 1.00 0.00 N ATOM 402 CA PRO A 33 -3.372 23.458 -17.630 1.00 0.00 C ATOM 403 C PRO A 33 -3.400 24.964 -17.912 1.00 0.00 C ATOM 404 O PRO A 33 -4.220 25.694 -17.372 1.00 0.00 O ATOM 405 CB PRO A 33 -2.883 23.182 -16.206 1.00 0.00 C ATOM 406 CG PRO A 33 -1.448 22.852 -16.350 1.00 0.00 C ATOM 407 CD PRO A 33 -1.296 22.180 -17.682 1.00 0.00 C ATOM 0 HA PRO A 33 -4.394 23.129 -17.816 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.025 24.052 -15.565 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.434 22.358 -15.753 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.836 23.752 -16.298 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.118 22.196 -15.545 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.331 22.405 -18.136 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.362 21.096 -17.593 1.00 0.00 H new ATOM 415 N ALA A 34 -2.510 25.407 -18.749 1.00 0.00 N ATOM 416 CA ALA A 34 -2.451 26.790 -19.129 1.00 0.00 C ATOM 417 C ALA A 34 -3.504 27.121 -20.189 1.00 0.00 C ATOM 418 O ALA A 34 -4.403 27.919 -19.957 1.00 0.00 O ATOM 419 CB ALA A 34 -1.065 27.137 -19.645 1.00 0.00 C ATOM 0 H ALA A 34 -1.802 24.820 -19.190 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.662 27.389 -18.243 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.035 28.189 -19.929 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.329 26.952 -18.863 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.835 26.520 -20.513 1.00 0.00 H new ATOM 425 N THR A 35 -3.411 26.472 -21.324 1.00 0.00 N ATOM 426 CA THR A 35 -4.224 26.804 -22.475 1.00 0.00 C ATOM 427 C THR A 35 -5.283 25.737 -22.826 1.00 0.00 C ATOM 428 O THR A 35 -5.848 25.763 -23.923 1.00 0.00 O ATOM 429 CB THR A 35 -3.276 26.999 -23.657 1.00 0.00 C ATOM 430 OG1 THR A 35 -2.290 25.953 -23.605 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.579 28.350 -23.580 1.00 0.00 C ATOM 0 H THR A 35 -2.768 25.696 -21.479 1.00 0.00 H new ATOM 0 HA THR A 35 -4.789 27.706 -22.240 1.00 0.00 H new ATOM 0 HB THR A 35 -3.842 26.964 -24.588 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.667 26.053 -24.355 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.910 28.463 -24.433 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.324 29.145 -23.595 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.003 28.410 -22.657 1.00 0.00 H new ATOM 439 N ARG A 36 -5.570 24.827 -21.909 1.00 0.00 N ATOM 440 CA ARG A 36 -6.550 23.764 -22.167 1.00 0.00 C ATOM 441 C ARG A 36 -7.986 24.339 -22.335 1.00 0.00 C ATOM 442 O ARG A 36 -8.338 25.386 -21.738 1.00 0.00 O ATOM 443 CB ARG A 36 -6.496 22.682 -21.065 1.00 0.00 C ATOM 444 CG ARG A 36 -7.172 23.024 -19.734 1.00 0.00 C ATOM 445 CD ARG A 36 -6.693 24.317 -19.109 1.00 0.00 C ATOM 446 NE ARG A 36 -7.363 24.554 -17.848 1.00 0.00 N ATOM 447 CZ ARG A 36 -8.273 25.508 -17.609 1.00 0.00 C ATOM 448 NH1 ARG A 36 -8.554 26.423 -18.534 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -8.879 25.557 -16.434 1.00 0.00 N ATOM 0 H ARG A 36 -5.145 24.796 -20.982 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.283 23.289 -23.111 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.955 21.774 -21.456 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.450 22.450 -20.866 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.249 23.087 -19.892 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.000 22.208 -19.032 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.615 24.273 -18.951 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.882 25.148 -19.789 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.120 23.939 -17.071 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.075 26.402 -19.434 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.248 27.145 -18.343 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.653 24.870 -15.714 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.572 26.281 -16.248 1.00 0.00 H new ATOM 463 N VAL A 37 -8.785 23.676 -23.141 1.00 0.00 N ATOM 464 CA VAL A 37 -10.147 24.120 -23.445 1.00 0.00 C ATOM 465 C VAL A 37 -11.154 23.238 -22.714 1.00 0.00 C ATOM 466 O VAL A 37 -11.059 22.035 -22.782 1.00 0.00 O ATOM 467 CB VAL A 37 -10.434 24.031 -24.977 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.818 24.574 -25.317 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.362 24.749 -25.786 1.00 0.00 C ATOM 0 H VAL A 37 -8.518 22.811 -23.610 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.242 25.156 -23.120 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.410 22.975 -25.248 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.985 24.497 -26.391 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.576 23.995 -24.789 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.884 25.619 -25.014 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.592 24.668 -26.848 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.334 25.801 -25.500 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.392 24.293 -25.589 1.00 0.00 H new ATOM 479 N LEU A 38 -12.087 23.842 -22.012 1.00 0.00 N ATOM 480 CA LEU A 38 -13.131 23.109 -21.284 1.00 0.00 C ATOM 481 C LEU A 38 -13.979 22.245 -22.244 1.00 0.00 C ATOM 482 O LEU A 38 -14.463 22.731 -23.272 1.00 0.00 O ATOM 483 CB LEU A 38 -14.003 24.131 -20.477 1.00 0.00 C ATOM 484 CG LEU A 38 -15.182 23.609 -19.600 1.00 0.00 C ATOM 485 CD1 LEU A 38 -16.417 23.250 -20.423 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.742 22.416 -18.777 1.00 0.00 C ATOM 0 H LEU A 38 -12.154 24.856 -21.922 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.670 22.417 -20.580 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.332 24.689 -19.824 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.417 24.843 -21.191 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.465 24.427 -18.937 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.205 22.893 -19.760 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.766 24.133 -20.959 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.163 22.468 -21.138 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.577 22.064 -18.171 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.414 21.617 -19.441 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.918 22.707 -18.126 1.00 0.00 H new ATOM 498 N LEU A 39 -14.124 20.966 -21.916 1.00 0.00 N ATOM 499 CA LEU A 39 -14.941 20.074 -22.707 1.00 0.00 C ATOM 500 C LEU A 39 -16.241 19.733 -21.998 1.00 0.00 C ATOM 501 O LEU A 39 -17.311 20.092 -22.476 1.00 0.00 O ATOM 502 CB LEU A 39 -14.193 18.789 -23.060 1.00 0.00 C ATOM 503 CG LEU A 39 -12.986 18.930 -23.980 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.319 17.585 -24.161 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.398 19.503 -25.331 1.00 0.00 C ATOM 0 H LEU A 39 -13.683 20.530 -21.106 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.176 20.603 -23.631 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.861 18.323 -22.132 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.899 18.102 -23.527 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.278 19.621 -23.521 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.457 17.692 -24.820 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.991 17.208 -23.192 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.028 16.884 -24.602 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.520 19.594 -25.970 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.123 18.839 -25.802 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.847 20.486 -25.188 1.00 0.00 H new ATOM 517 N MET A 40 -16.161 19.082 -20.840 1.00 0.00 N ATOM 518 CA MET A 40 -17.365 18.645 -20.142 1.00 0.00 C ATOM 519 C MET A 40 -17.112 18.325 -18.716 1.00 0.00 C ATOM 520 O MET A 40 -15.963 18.188 -18.278 1.00 0.00 O ATOM 521 CB MET A 40 -18.004 17.417 -20.803 1.00 0.00 C ATOM 522 CG MET A 40 -19.315 17.719 -21.484 1.00 0.00 C ATOM 523 SD MET A 40 -20.059 16.294 -22.302 1.00 0.00 S ATOM 524 CE MET A 40 -20.451 15.256 -20.892 1.00 0.00 C ATOM 0 H MET A 40 -15.286 18.848 -20.371 1.00 0.00 H new ATOM 0 HA MET A 40 -18.049 19.491 -20.203 1.00 0.00 H new ATOM 0 HB2 MET A 40 -17.309 17.004 -21.535 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.164 16.648 -20.047 1.00 0.00 H new ATOM 0 HG2 MET A 40 -20.016 18.108 -20.745 1.00 0.00 H new ATOM 0 HG3 MET A 40 -19.158 18.507 -22.220 1.00 0.00 H new ATOM 0 HE1 MET A 40 -21.158 14.484 -21.194 1.00 0.00 H new ATOM 0 HE2 MET A 40 -19.540 14.788 -20.520 1.00 0.00 H new ATOM 0 HE3 MET A 40 -20.894 15.865 -20.104 1.00 0.00 H new ATOM 534 N TYR A 41 -18.192 18.211 -18.015 1.00 0.00 N ATOM 535 CA TYR A 41 -18.231 17.829 -16.632 1.00 0.00 C ATOM 536 C TYR A 41 -18.979 16.509 -16.525 1.00 0.00 C ATOM 537 O TYR A 41 -20.048 16.347 -17.117 1.00 0.00 O ATOM 538 CB TYR A 41 -18.946 18.901 -15.801 1.00 0.00 C ATOM 539 CG TYR A 41 -18.220 20.224 -15.713 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.281 21.149 -16.750 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.474 20.551 -14.593 1.00 0.00 C ATOM 542 CE1 TYR A 41 -17.618 22.348 -16.672 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.810 21.756 -14.509 1.00 0.00 C ATOM 544 CZ TYR A 41 -16.883 22.646 -15.552 1.00 0.00 C ATOM 545 OH TYR A 41 -16.211 23.844 -15.479 1.00 0.00 O ATOM 0 H TYR A 41 -19.118 18.389 -18.405 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.216 17.723 -16.249 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.934 19.073 -16.228 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.097 18.518 -14.792 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.860 20.920 -17.632 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.412 19.851 -13.773 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.674 23.053 -17.488 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.235 21.999 -13.627 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.739 23.903 -14.622 1.00 0.00 H new ATOM 555 N VAL A 42 -18.410 15.567 -15.830 1.00 0.00 N ATOM 556 CA VAL A 42 -19.020 14.255 -15.665 1.00 0.00 C ATOM 557 C VAL A 42 -19.132 13.944 -14.191 1.00 0.00 C ATOM 558 O VAL A 42 -18.191 14.175 -13.452 1.00 0.00 O ATOM 559 CB VAL A 42 -18.156 13.153 -16.346 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.795 11.772 -16.219 1.00 0.00 C ATOM 561 CG2 VAL A 42 -17.901 13.491 -17.803 1.00 0.00 C ATOM 0 H VAL A 42 -17.512 15.674 -15.358 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.005 14.269 -16.131 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.200 13.122 -15.824 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.161 11.032 -16.707 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.905 11.517 -15.165 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.776 11.780 -16.694 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.296 12.707 -18.258 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.852 13.567 -18.331 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.372 14.442 -17.869 1.00 0.00 H new ATOM 571 N ARG A 43 -20.272 13.444 -13.765 1.00 0.00 N ATOM 572 CA ARG A 43 -20.474 13.058 -12.392 1.00 0.00 C ATOM 573 C ARG A 43 -19.624 11.827 -12.092 1.00 0.00 C ATOM 574 O ARG A 43 -19.592 10.871 -12.886 1.00 0.00 O ATOM 575 CB ARG A 43 -21.963 12.746 -12.143 1.00 0.00 C ATOM 576 CG ARG A 43 -22.304 12.341 -10.709 1.00 0.00 C ATOM 577 CD ARG A 43 -22.055 13.481 -9.739 1.00 0.00 C ATOM 578 NE ARG A 43 -22.292 13.102 -8.336 1.00 0.00 N ATOM 579 CZ ARG A 43 -22.294 13.961 -7.297 1.00 0.00 C ATOM 580 NH1 ARG A 43 -22.305 15.283 -7.522 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -22.375 13.497 -6.049 1.00 0.00 N ATOM 0 H ARG A 43 -21.084 13.295 -14.365 1.00 0.00 H new ATOM 0 HA ARG A 43 -20.178 13.876 -11.735 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.552 13.624 -12.407 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.268 11.943 -12.814 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.349 12.036 -10.654 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -21.704 11.478 -10.420 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -21.027 13.826 -9.848 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -22.702 14.319 -9.998 1.00 0.00 H new ATOM 0 HE ARG A 43 -22.468 12.117 -8.136 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -22.312 15.638 -8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -22.307 15.934 -6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -22.435 12.493 -5.881 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -22.377 14.146 -5.263 1.00 0.00 H new ATOM 595 N ILE A 44 -18.920 11.866 -10.999 1.00 0.00 N ATOM 596 CA ILE A 44 -18.115 10.735 -10.575 1.00 0.00 C ATOM 597 C ILE A 44 -19.013 9.538 -10.313 1.00 0.00 C ATOM 598 O ILE A 44 -19.923 9.586 -9.479 1.00 0.00 O ATOM 599 CB ILE A 44 -17.243 11.063 -9.328 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.204 12.138 -9.680 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.554 9.811 -8.770 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.163 11.713 -10.706 1.00 0.00 C ATOM 0 H ILE A 44 -18.881 12.671 -10.374 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.422 10.496 -11.382 1.00 0.00 H new ATOM 0 HB ILE A 44 -17.903 11.445 -8.549 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -16.726 13.017 -10.057 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -15.691 12.439 -8.767 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.955 10.082 -7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.308 9.080 -8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -15.908 9.380 -9.535 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.474 12.538 -10.889 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.608 10.854 -10.327 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.660 11.442 -11.638 1.00 0.00 H new ATOM 614 N GLY A 45 -18.789 8.517 -11.076 1.00 0.00 N ATOM 615 CA GLY A 45 -19.553 7.320 -10.984 1.00 0.00 C ATOM 616 C GLY A 45 -20.333 7.069 -12.251 1.00 0.00 C ATOM 617 O GLY A 45 -20.863 5.975 -12.457 1.00 0.00 O ATOM 0 H GLY A 45 -18.060 8.493 -11.789 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.890 6.477 -10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.239 7.388 -10.140 1.00 0.00 H new ATOM 621 N THR A 46 -20.385 8.057 -13.123 1.00 0.00 N ATOM 622 CA THR A 46 -21.168 7.937 -14.322 1.00 0.00 C ATOM 623 C THR A 46 -20.306 7.928 -15.570 1.00 0.00 C ATOM 624 O THR A 46 -19.087 8.245 -15.539 1.00 0.00 O ATOM 625 CB THR A 46 -22.241 9.069 -14.436 1.00 0.00 C ATOM 626 OG1 THR A 46 -21.617 10.364 -14.479 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.210 9.019 -13.263 1.00 0.00 C ATOM 0 H THR A 46 -19.894 8.945 -13.018 1.00 0.00 H new ATOM 0 HA THR A 46 -21.679 6.977 -14.249 1.00 0.00 H new ATOM 0 HB THR A 46 -22.792 8.905 -15.362 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.056 10.483 -13.685 1.00 0.00 H new ATOM 0 HG21 THR A 46 -23.946 9.816 -13.365 1.00 0.00 H new ATOM 0 HG22 THR A 46 -23.718 8.055 -13.252 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.660 9.150 -12.331 1.00 0.00 H new ATOM 635 N THR A 47 -20.919 7.519 -16.631 1.00 0.00 N ATOM 636 CA THR A 47 -20.336 7.555 -17.921 1.00 0.00 C ATOM 637 C THR A 47 -20.864 8.769 -18.651 1.00 0.00 C ATOM 638 O THR A 47 -21.949 9.279 -18.319 1.00 0.00 O ATOM 639 CB THR A 47 -20.680 6.285 -18.716 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.104 6.075 -18.707 1.00 0.00 O ATOM 641 CG2 THR A 47 -19.996 5.065 -18.127 1.00 0.00 C ATOM 0 H THR A 47 -21.866 7.141 -16.619 1.00 0.00 H new ATOM 0 HA THR A 47 -19.252 7.608 -17.823 1.00 0.00 H new ATOM 0 HB THR A 47 -20.327 6.424 -19.738 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.319 5.266 -19.216 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.259 4.183 -18.711 1.00 0.00 H new ATOM 0 HG22 THR A 47 -18.916 5.207 -18.150 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.322 4.928 -17.096 1.00 0.00 H new ATOM 649 N ALA A 48 -20.126 9.230 -19.605 1.00 0.00 N ATOM 650 CA ALA A 48 -20.519 10.411 -20.369 1.00 0.00 C ATOM 651 C ALA A 48 -19.853 10.452 -21.712 1.00 0.00 C ATOM 652 O ALA A 48 -18.755 9.926 -21.887 1.00 0.00 O ATOM 653 CB ALA A 48 -20.217 11.677 -19.607 1.00 0.00 C ATOM 0 H ALA A 48 -19.238 8.817 -19.891 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.596 10.343 -20.526 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.520 12.540 -20.200 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.765 11.674 -18.665 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.147 11.734 -19.405 1.00 0.00 H new ATOM 659 N THR A 49 -20.501 11.090 -22.637 1.00 0.00 N ATOM 660 CA THR A 49 -20.016 11.197 -23.972 1.00 0.00 C ATOM 661 C THR A 49 -19.335 12.549 -24.167 1.00 0.00 C ATOM 662 O THR A 49 -20.000 13.587 -24.243 1.00 0.00 O ATOM 663 CB THR A 49 -21.187 11.105 -24.954 1.00 0.00 C ATOM 664 OG1 THR A 49 -22.109 10.106 -24.498 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.687 10.723 -26.339 1.00 0.00 C ATOM 0 H THR A 49 -21.394 11.557 -22.480 1.00 0.00 H new ATOM 0 HA THR A 49 -19.307 10.389 -24.153 1.00 0.00 H new ATOM 0 HB THR A 49 -21.680 12.076 -25.008 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.890 9.245 -24.912 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.531 10.661 -27.026 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.985 11.478 -26.693 1.00 0.00 H new ATOM 0 HG23 THR A 49 -20.187 9.756 -26.291 1.00 0.00 H new ATOM 673 N ILE A 50 -18.035 12.548 -24.225 1.00 0.00 N ATOM 674 CA ILE A 50 -17.294 13.766 -24.457 1.00 0.00 C ATOM 675 C ILE A 50 -17.047 13.829 -25.949 1.00 0.00 C ATOM 676 O ILE A 50 -16.856 12.806 -26.582 1.00 0.00 O ATOM 677 CB ILE A 50 -15.903 13.720 -23.771 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.990 13.164 -22.339 1.00 0.00 C ATOM 679 CG2 ILE A 50 -15.253 15.109 -23.771 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.812 13.997 -21.377 1.00 0.00 C ATOM 0 H ILE A 50 -17.458 11.714 -24.115 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.853 14.616 -24.065 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.277 13.041 -24.349 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.413 12.160 -22.380 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.980 13.068 -21.941 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.279 15.055 -23.285 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.128 15.452 -24.798 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.890 15.809 -23.230 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.813 13.524 -20.395 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.380 14.994 -21.298 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.835 14.073 -21.744 1.00 0.00 H new ATOM 692 N THR A 51 -17.083 14.975 -26.500 1.00 0.00 N ATOM 693 CA THR A 51 -16.827 15.142 -27.901 1.00 0.00 C ATOM 694 C THR A 51 -15.690 16.130 -28.076 1.00 0.00 C ATOM 695 O THR A 51 -15.815 17.319 -27.710 1.00 0.00 O ATOM 696 CB THR A 51 -18.081 15.639 -28.639 1.00 0.00 C ATOM 697 OG1 THR A 51 -19.197 14.791 -28.302 1.00 0.00 O ATOM 698 CG2 THR A 51 -17.867 15.610 -30.148 1.00 0.00 C ATOM 0 H THR A 51 -17.291 15.841 -26.003 1.00 0.00 H new ATOM 0 HA THR A 51 -16.553 14.178 -28.330 1.00 0.00 H new ATOM 0 HB THR A 51 -18.282 16.666 -28.334 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.999 15.105 -28.769 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.767 15.966 -30.650 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.027 16.254 -30.409 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.654 14.589 -30.466 1.00 0.00 H new ATOM 706 N ALA A 52 -14.580 15.647 -28.575 1.00 0.00 N ATOM 707 CA ALA A 52 -13.425 16.468 -28.759 1.00 0.00 C ATOM 708 C ALA A 52 -12.644 16.025 -29.969 1.00 0.00 C ATOM 709 O ALA A 52 -12.467 14.827 -30.197 1.00 0.00 O ATOM 710 CB ALA A 52 -12.553 16.420 -27.527 1.00 0.00 C ATOM 0 H ALA A 52 -14.458 14.676 -28.862 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.753 17.495 -28.920 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.676 17.049 -27.678 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.117 16.783 -26.668 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.236 15.393 -27.345 1.00 0.00 H new ATOM 716 N ARG A 53 -12.239 16.998 -30.771 1.00 0.00 N ATOM 717 CA ARG A 53 -11.394 16.809 -31.954 1.00 0.00 C ATOM 718 C ARG A 53 -12.011 15.882 -32.997 1.00 0.00 C ATOM 719 O ARG A 53 -11.318 15.287 -33.827 1.00 0.00 O ATOM 720 CB ARG A 53 -9.992 16.378 -31.551 1.00 0.00 C ATOM 721 CG ARG A 53 -9.313 17.411 -30.677 1.00 0.00 C ATOM 722 CD ARG A 53 -7.916 17.015 -30.318 1.00 0.00 C ATOM 723 NE ARG A 53 -7.348 17.940 -29.327 1.00 0.00 N ATOM 724 CZ ARG A 53 -6.049 18.099 -29.051 1.00 0.00 C ATOM 725 NH1 ARG A 53 -5.137 17.324 -29.623 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -5.676 19.030 -28.177 1.00 0.00 N ATOM 0 H ARG A 53 -12.494 17.974 -30.617 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.319 17.778 -32.448 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.043 15.429 -31.018 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.393 16.209 -32.446 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.295 18.369 -31.196 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.894 17.553 -29.766 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.912 16.001 -29.919 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.294 17.008 -31.213 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.006 18.514 -28.800 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.424 16.599 -30.280 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.149 17.454 -29.406 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.378 19.615 -27.724 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.688 19.159 -27.960 1.00 0.00 H new ATOM 740 N GLY A 54 -13.316 15.832 -32.987 1.00 0.00 N ATOM 741 CA GLY A 54 -14.055 15.028 -33.921 1.00 0.00 C ATOM 742 C GLY A 54 -14.286 13.624 -33.416 1.00 0.00 C ATOM 743 O GLY A 54 -14.721 12.751 -34.169 1.00 0.00 O ATOM 0 H GLY A 54 -13.898 16.350 -32.328 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.016 15.501 -34.123 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.515 14.987 -34.867 1.00 0.00 H new ATOM 747 N HIS A 55 -13.987 13.382 -32.165 1.00 0.00 N ATOM 748 CA HIS A 55 -14.181 12.064 -31.596 1.00 0.00 C ATOM 749 C HIS A 55 -15.105 12.138 -30.397 1.00 0.00 C ATOM 750 O HIS A 55 -14.981 13.040 -29.561 1.00 0.00 O ATOM 751 CB HIS A 55 -12.845 11.443 -31.156 1.00 0.00 C ATOM 752 CG HIS A 55 -11.825 11.234 -32.241 1.00 0.00 C ATOM 753 ND1 HIS A 55 -11.456 9.999 -32.733 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.068 12.138 -32.906 1.00 0.00 C ATOM 755 CE1 HIS A 55 -10.510 10.189 -33.657 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.235 11.478 -33.803 1.00 0.00 N ATOM 0 H HIS A 55 -13.609 14.075 -31.519 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.625 11.437 -32.369 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.405 12.082 -30.390 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.051 10.480 -30.689 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.105 13.208 -32.762 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.032 9.396 -34.213 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.556 11.897 -34.439 1.00 0.00 H new ATOM 764 N GLU A 56 -16.039 11.222 -30.326 1.00 0.00 N ATOM 765 CA GLU A 56 -16.899 11.107 -29.181 1.00 0.00 C ATOM 766 C GLU A 56 -16.390 9.982 -28.306 1.00 0.00 C ATOM 767 O GLU A 56 -16.424 8.800 -28.700 1.00 0.00 O ATOM 768 CB GLU A 56 -18.338 10.815 -29.578 1.00 0.00 C ATOM 769 CG GLU A 56 -19.060 11.953 -30.262 1.00 0.00 C ATOM 770 CD GLU A 56 -20.481 11.584 -30.587 1.00 0.00 C ATOM 771 OE1 GLU A 56 -21.374 11.740 -29.720 1.00 0.00 O ATOM 772 OE2 GLU A 56 -20.732 11.114 -31.708 1.00 0.00 O1- ATOM 0 H GLU A 56 -16.222 10.538 -31.060 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.887 12.058 -28.648 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.347 9.950 -30.241 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.896 10.537 -28.684 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.049 12.832 -29.618 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.534 12.222 -31.178 1.00 0.00 H new ATOM 779 N PHE A 57 -15.928 10.331 -27.155 1.00 0.00 N ATOM 780 CA PHE A 57 -15.387 9.396 -26.234 1.00 0.00 C ATOM 781 C PHE A 57 -16.401 9.137 -25.171 1.00 0.00 C ATOM 782 O PHE A 57 -16.772 10.058 -24.429 1.00 0.00 O ATOM 783 CB PHE A 57 -14.129 9.958 -25.579 1.00 0.00 C ATOM 784 CG PHE A 57 -13.079 10.400 -26.540 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.242 9.483 -27.152 1.00 0.00 C ATOM 786 CD2 PHE A 57 -12.928 11.742 -26.830 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.274 9.901 -28.038 1.00 0.00 C ATOM 788 CE2 PHE A 57 -11.968 12.164 -27.708 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.138 11.245 -28.316 1.00 0.00 C ATOM 0 H PHE A 57 -15.916 11.295 -26.822 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.133 8.478 -26.764 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.408 10.804 -24.951 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.706 9.198 -24.922 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.349 8.431 -26.933 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.575 12.466 -26.358 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.625 9.180 -28.513 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.860 13.216 -27.925 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.381 11.578 -29.010 1.00 0.00 H new ATOM 799 N GLU A 58 -16.891 7.939 -25.112 1.00 0.00 N ATOM 800 CA GLU A 58 -17.780 7.592 -24.058 1.00 0.00 C ATOM 801 C GLU A 58 -16.871 7.167 -22.922 1.00 0.00 C ATOM 802 O GLU A 58 -16.232 6.108 -22.971 1.00 0.00 O ATOM 803 CB GLU A 58 -18.676 6.450 -24.495 1.00 0.00 C ATOM 804 CG GLU A 58 -19.891 6.205 -23.609 1.00 0.00 C ATOM 805 CD GLU A 58 -20.916 7.294 -23.716 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.332 7.611 -24.846 1.00 0.00 O ATOM 807 OE2 GLU A 58 -21.368 7.816 -22.689 1.00 0.00 O1- ATOM 0 H GLU A 58 -16.691 7.192 -25.777 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.438 8.411 -23.767 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.020 6.647 -25.510 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.082 5.537 -24.531 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.348 5.254 -23.882 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.567 6.117 -22.572 1.00 0.00 H new ATOM 814 N VAL A 59 -16.786 7.993 -21.947 1.00 0.00 N ATOM 815 CA VAL A 59 -15.853 7.815 -20.884 1.00 0.00 C ATOM 816 C VAL A 59 -16.573 7.298 -19.675 1.00 0.00 C ATOM 817 O VAL A 59 -17.775 7.521 -19.513 1.00 0.00 O ATOM 818 CB VAL A 59 -15.144 9.171 -20.503 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.442 9.799 -21.693 1.00 0.00 C ATOM 820 CG2 VAL A 59 -16.116 10.177 -19.884 1.00 0.00 C ATOM 0 H VAL A 59 -17.368 8.826 -21.858 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.095 7.107 -21.219 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.394 8.916 -19.754 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.967 10.731 -21.385 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.684 9.113 -22.072 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.170 10.005 -22.478 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.582 11.095 -19.638 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.911 10.399 -20.595 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.548 9.755 -18.977 1.00 0.00 H new ATOM 830 N GLU A 60 -15.864 6.617 -18.861 1.00 0.00 N ATOM 831 CA GLU A 60 -16.380 6.146 -17.621 1.00 0.00 C ATOM 832 C GLU A 60 -15.576 6.767 -16.492 1.00 0.00 C ATOM 833 O GLU A 60 -14.414 6.410 -16.268 1.00 0.00 O ATOM 834 CB GLU A 60 -16.341 4.607 -17.578 1.00 0.00 C ATOM 835 CG GLU A 60 -16.779 3.999 -16.260 1.00 0.00 C ATOM 836 CD GLU A 60 -16.858 2.490 -16.302 1.00 0.00 C ATOM 837 OE1 GLU A 60 -15.832 1.815 -16.575 1.00 0.00 O ATOM 838 OE2 GLU A 60 -17.945 1.934 -16.016 1.00 0.00 O1- ATOM 0 H GLU A 60 -14.891 6.363 -19.033 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.423 6.441 -17.507 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.979 4.219 -18.372 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.325 4.277 -17.795 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.081 4.299 -15.478 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.755 4.401 -15.987 1.00 0.00 H new ATOM 845 N ALA A 61 -16.169 7.726 -15.805 1.00 0.00 N ATOM 846 CA ALA A 61 -15.485 8.358 -14.696 1.00 0.00 C ATOM 847 C ALA A 61 -15.843 7.604 -13.447 1.00 0.00 C ATOM 848 O ALA A 61 -16.731 7.988 -12.715 1.00 0.00 O ATOM 849 CB ALA A 61 -15.841 9.839 -14.580 1.00 0.00 C ATOM 0 H ALA A 61 -17.108 8.079 -15.992 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.408 8.322 -14.858 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.307 10.276 -13.736 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.555 10.355 -15.497 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.915 9.944 -14.424 1.00 0.00 H new ATOM 855 N LYS A 62 -15.191 6.489 -13.260 1.00 0.00 N ATOM 856 CA LYS A 62 -15.545 5.551 -12.218 1.00 0.00 C ATOM 857 C LYS A 62 -14.939 5.848 -10.849 1.00 0.00 C ATOM 858 O LYS A 62 -15.453 5.382 -9.839 1.00 0.00 O ATOM 859 CB LYS A 62 -15.266 4.122 -12.691 1.00 0.00 C ATOM 860 CG LYS A 62 -13.817 3.843 -13.080 1.00 0.00 C ATOM 861 CD LYS A 62 -13.725 2.684 -14.076 1.00 0.00 C ATOM 862 CE LYS A 62 -14.376 1.406 -13.563 1.00 0.00 C ATOM 863 NZ LYS A 62 -14.475 0.390 -14.629 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.394 6.200 -13.827 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.615 5.668 -12.046 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.553 3.431 -11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.904 3.908 -13.548 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.376 4.738 -13.518 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.237 3.606 -12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.201 2.977 -15.012 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.677 2.487 -14.300 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.795 1.008 -12.731 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.371 1.631 -13.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.998 -0.436 -14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.977 0.792 -15.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.520 0.097 -14.919 1.00 0.00 H new ATOM 877 N ASP A 63 -13.876 6.621 -10.791 1.00 0.00 N ATOM 878 CA ASP A 63 -13.251 6.885 -9.519 1.00 0.00 C ATOM 879 C ASP A 63 -12.898 8.354 -9.405 1.00 0.00 C ATOM 880 O ASP A 63 -12.704 9.023 -10.424 1.00 0.00 O ATOM 881 CB ASP A 63 -12.005 6.011 -9.343 1.00 0.00 C ATOM 882 CG ASP A 63 -11.376 6.172 -7.983 1.00 0.00 C ATOM 883 OD1 ASP A 63 -11.814 5.506 -7.025 1.00 0.00 O ATOM 884 OD2 ASP A 63 -10.449 6.963 -7.850 1.00 0.00 O1- ATOM 0 H ASP A 63 -13.435 7.069 -11.595 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.954 6.637 -8.724 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.274 4.966 -9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.274 6.266 -10.110 1.00 0.00 H new ATOM 889 N GLN A 64 -12.796 8.841 -8.168 1.00 0.00 N ATOM 890 CA GLN A 64 -12.486 10.242 -7.851 1.00 0.00 C ATOM 891 C GLN A 64 -11.101 10.654 -8.355 1.00 0.00 C ATOM 892 O GLN A 64 -10.778 11.831 -8.405 1.00 0.00 O ATOM 893 CB GLN A 64 -12.571 10.469 -6.346 1.00 0.00 C ATOM 894 CG GLN A 64 -11.585 9.647 -5.532 1.00 0.00 C ATOM 895 CD GLN A 64 -11.671 9.906 -4.037 1.00 0.00 C ATOM 896 OE1 GLN A 64 -10.672 9.797 -3.325 1.00 0.00 O ATOM 897 NE2 GLN A 64 -12.841 10.235 -3.544 1.00 0.00 N ATOM 0 H GLN A 64 -12.929 8.263 -7.338 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.224 10.861 -8.362 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.402 11.526 -6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -13.582 10.237 -6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.764 8.588 -5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.573 9.865 -5.873 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.649 10.317 -4.161 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.942 10.409 -2.544 1.00 0.00 H new ATOM 906 N ASN A 65 -10.297 9.677 -8.717 1.00 0.00 N ATOM 907 CA ASN A 65 -8.962 9.906 -9.284 1.00 0.00 C ATOM 908 C ASN A 65 -9.092 10.471 -10.698 1.00 0.00 C ATOM 909 O ASN A 65 -8.133 11.011 -11.260 1.00 0.00 O ATOM 910 CB ASN A 65 -8.193 8.557 -9.316 1.00 0.00 C ATOM 911 CG ASN A 65 -6.847 8.594 -10.045 1.00 0.00 C ATOM 912 OD1 ASN A 65 -6.779 8.372 -11.254 1.00 0.00 O ATOM 913 ND2 ASN A 65 -5.783 8.832 -9.325 1.00 0.00 N ATOM 0 H ASN A 65 -10.542 8.691 -8.630 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.416 10.623 -8.671 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.024 8.228 -8.291 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.826 7.807 -9.791 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.862 8.838 -9.763 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.874 9.012 -8.325 1.00 0.00 H new ATOM 920 N CYS A 66 -10.313 10.365 -11.245 1.00 0.00 N ATOM 921 CA CYS A 66 -10.600 10.693 -12.631 1.00 0.00 C ATOM 922 C CYS A 66 -9.914 9.708 -13.517 1.00 0.00 C ATOM 923 O CYS A 66 -9.463 10.026 -14.612 1.00 0.00 O ATOM 924 CB CYS A 66 -10.270 12.145 -12.997 1.00 0.00 C ATOM 925 SG CYS A 66 -11.503 13.338 -12.397 1.00 0.00 S ATOM 0 H CYS A 66 -11.130 10.045 -10.724 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.677 10.618 -12.781 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.295 12.403 -12.585 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -10.190 12.230 -14.081 1.00 0.00 H new ATOM 930 N LYS A 67 -9.832 8.484 -12.993 1.00 0.00 N ATOM 931 CA LYS A 67 -9.324 7.360 -13.680 1.00 0.00 C ATOM 932 C LYS A 67 -10.259 7.077 -14.844 1.00 0.00 C ATOM 933 O LYS A 67 -11.281 6.396 -14.695 1.00 0.00 O ATOM 934 CB LYS A 67 -9.280 6.174 -12.709 1.00 0.00 C ATOM 935 CG LYS A 67 -8.358 5.019 -13.055 1.00 0.00 C ATOM 936 CD LYS A 67 -6.945 5.508 -13.193 1.00 0.00 C ATOM 937 CE LYS A 67 -6.630 5.801 -14.640 1.00 0.00 C ATOM 938 NZ LYS A 67 -5.355 6.516 -14.814 1.00 0.00 N1+ ATOM 0 H LYS A 67 -10.136 8.271 -12.043 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.316 7.534 -14.057 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.991 6.553 -11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.292 5.780 -12.613 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.412 4.256 -12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.681 4.552 -13.985 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.804 6.408 -12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.254 4.758 -12.808 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.594 4.864 -15.196 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.436 6.396 -15.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.190 6.690 -15.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.394 7.424 -14.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.579 5.940 -14.431 1.00 0.00 H new ATOM 952 N VAL A 68 -9.958 7.686 -15.944 1.00 0.00 N ATOM 953 CA VAL A 68 -10.782 7.616 -17.090 1.00 0.00 C ATOM 954 C VAL A 68 -10.412 6.477 -18.016 1.00 0.00 C ATOM 955 O VAL A 68 -9.323 6.440 -18.622 1.00 0.00 O ATOM 956 CB VAL A 68 -10.874 8.986 -17.842 1.00 0.00 C ATOM 957 CG1 VAL A 68 -9.497 9.552 -18.181 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.731 8.857 -19.093 1.00 0.00 C ATOM 0 H VAL A 68 -9.119 8.253 -16.066 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.784 7.392 -16.724 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.352 9.694 -17.165 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.612 10.503 -18.702 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.931 9.708 -17.262 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.963 8.850 -18.821 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.782 9.820 -19.600 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.290 8.118 -19.762 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.736 8.540 -18.814 1.00 0.00 H new ATOM 968 N ILE A 69 -11.284 5.527 -18.047 1.00 0.00 N ATOM 969 CA ILE A 69 -11.239 4.447 -18.970 1.00 0.00 C ATOM 970 C ILE A 69 -12.524 4.572 -19.730 1.00 0.00 C ATOM 971 O ILE A 69 -13.539 4.961 -19.147 1.00 0.00 O ATOM 972 CB ILE A 69 -11.149 3.026 -18.292 1.00 0.00 C ATOM 973 CG1 ILE A 69 -9.857 2.854 -17.480 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.233 1.912 -19.329 1.00 0.00 C ATOM 975 CD1 ILE A 69 -9.863 3.485 -16.104 1.00 0.00 C ATOM 0 H ILE A 69 -12.076 5.481 -17.406 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.342 4.509 -19.586 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.000 2.958 -17.614 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.656 1.788 -17.371 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.031 3.277 -18.051 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.168 0.945 -18.830 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.181 1.982 -19.862 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.410 2.011 -20.037 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.905 3.305 -15.617 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.027 4.559 -16.197 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.662 3.047 -15.506 1.00 0.00 H new ATOM 987 N LEU A 70 -12.500 4.352 -21.002 1.00 0.00 N ATOM 988 CA LEU A 70 -13.702 4.496 -21.761 1.00 0.00 C ATOM 989 C LEU A 70 -14.557 3.278 -21.588 1.00 0.00 C ATOM 990 O LEU A 70 -14.100 2.234 -21.109 1.00 0.00 O ATOM 991 CB LEU A 70 -13.416 4.707 -23.232 1.00 0.00 C ATOM 992 CG LEU A 70 -12.386 5.758 -23.563 1.00 0.00 C ATOM 993 CD1 LEU A 70 -12.115 5.828 -25.053 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.764 7.113 -23.027 1.00 0.00 C ATOM 0 H LEU A 70 -11.675 4.075 -21.534 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.225 5.378 -21.391 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.088 3.759 -23.657 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.349 4.973 -23.728 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.465 5.454 -23.066 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.368 6.597 -25.251 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.745 4.864 -25.401 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.037 6.074 -25.579 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.992 7.837 -23.290 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.715 7.423 -23.460 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.859 7.062 -21.942 1.00 0.00 H new ATOM 1006 N THR A 71 -15.738 3.381 -22.061 1.00 0.00 N ATOM 1007 CA THR A 71 -16.747 2.331 -21.924 1.00 0.00 C ATOM 1008 C THR A 71 -16.368 1.085 -22.703 1.00 0.00 C ATOM 1009 O THR A 71 -16.775 -0.025 -22.369 1.00 0.00 O ATOM 1010 CB THR A 71 -18.084 2.842 -22.414 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.860 3.517 -23.658 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.696 3.790 -21.397 1.00 0.00 C ATOM 0 H THR A 71 -16.067 4.202 -22.569 1.00 0.00 H new ATOM 0 HA THR A 71 -16.810 2.065 -20.869 1.00 0.00 H new ATOM 0 HB THR A 71 -18.780 2.015 -22.551 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.711 3.619 -24.133 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.657 4.148 -21.766 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.842 3.266 -20.453 1.00 0.00 H new ATOM 0 HG23 THR A 71 -18.028 4.638 -21.242 1.00 0.00 H new ATOM 1020 N ASN A 72 -15.568 1.281 -23.727 1.00 0.00 N ATOM 1021 CA ASN A 72 -15.108 0.194 -24.559 1.00 0.00 C ATOM 1022 C ASN A 72 -13.891 -0.480 -23.939 1.00 0.00 C ATOM 1023 O ASN A 72 -13.325 -1.397 -24.518 1.00 0.00 O ATOM 1024 CB ASN A 72 -14.774 0.675 -25.984 1.00 0.00 C ATOM 1025 CG ASN A 72 -15.961 1.297 -26.706 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -16.770 0.597 -27.329 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -16.034 2.606 -26.715 1.00 0.00 N ATOM 0 H ASN A 72 -15.219 2.198 -24.006 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.920 -0.530 -24.627 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.966 1.405 -25.933 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.405 -0.169 -26.567 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.771 3.072 -27.244 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.354 3.158 -26.193 1.00 0.00 H new ATOM 1034 N GLY A 73 -13.472 0.004 -22.771 1.00 0.00 N ATOM 1035 CA GLY A 73 -12.352 -0.584 -22.073 1.00 0.00 C ATOM 1036 C GLY A 73 -11.069 -0.082 -22.636 1.00 0.00 C ATOM 1037 O GLY A 73 -10.014 -0.697 -22.485 1.00 0.00 O ATOM 0 H GLY A 73 -13.897 0.801 -22.296 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.410 -0.343 -21.011 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.393 -1.670 -22.156 1.00 0.00 H new ATOM 1041 N LYS A 74 -11.155 1.049 -23.275 1.00 0.00 N ATOM 1042 CA LYS A 74 -10.050 1.617 -23.946 1.00 0.00 C ATOM 1043 C LYS A 74 -9.492 2.764 -23.148 1.00 0.00 C ATOM 1044 O LYS A 74 -10.208 3.384 -22.342 1.00 0.00 O ATOM 1045 CB LYS A 74 -10.462 2.052 -25.357 1.00 0.00 C ATOM 1046 CG LYS A 74 -11.052 0.917 -26.206 1.00 0.00 C ATOM 1047 CD LYS A 74 -10.046 -0.207 -26.443 1.00 0.00 C ATOM 1048 CE LYS A 74 -10.701 -1.431 -27.080 1.00 0.00 C ATOM 1049 NZ LYS A 74 -11.360 -1.136 -28.368 1.00 0.00 N1+ ATOM 0 H LYS A 74 -12.011 1.600 -23.338 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.262 0.871 -24.045 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.195 2.855 -25.280 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.592 2.462 -25.870 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.934 0.514 -25.709 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.381 1.316 -27.165 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.244 0.153 -27.088 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.589 -0.491 -25.495 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.944 -2.200 -27.235 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.437 -1.842 -26.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.696 -2.022 -28.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.168 -0.501 -28.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.681 -0.677 -29.008 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.231 3.018 -23.351 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.528 4.067 -22.672 1.00 0.00 C ATOM 1065 C GLN A 75 -7.958 5.401 -23.230 1.00 0.00 C ATOM 1066 O GLN A 75 -8.374 5.503 -24.392 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.009 3.907 -22.841 1.00 0.00 C ATOM 1068 CG GLN A 75 -5.455 2.588 -22.332 1.00 0.00 C ATOM 1069 CD GLN A 75 -3.957 2.454 -22.545 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -3.497 1.958 -23.579 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -3.188 2.892 -21.587 1.00 0.00 N ATOM 0 H GLN A 75 -7.652 2.492 -24.006 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.765 4.013 -21.610 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.761 4.007 -23.898 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -5.510 4.723 -22.318 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.676 2.493 -21.269 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -5.964 1.767 -22.837 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.601 3.296 -20.746 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.174 2.831 -21.679 1.00 0.00 H new ATOM 1080 N ALA A 76 -7.866 6.388 -22.418 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.218 7.720 -22.782 1.00 0.00 C ATOM 1082 C ALA A 76 -7.016 8.430 -23.397 1.00 0.00 C ATOM 1083 O ALA A 76 -5.867 8.138 -23.036 1.00 0.00 O ATOM 1084 CB ALA A 76 -8.708 8.472 -21.560 1.00 0.00 C ATOM 0 H ALA A 76 -7.536 6.296 -21.457 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.018 7.690 -23.522 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.976 9.490 -21.843 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.582 7.967 -21.149 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.918 8.500 -20.809 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.263 9.304 -24.381 1.00 0.00 N ATOM 1091 CA PRO A 77 -6.230 10.137 -25.010 1.00 0.00 C ATOM 1092 C PRO A 77 -5.373 10.896 -23.987 1.00 0.00 C ATOM 1093 O PRO A 77 -5.866 11.311 -22.923 1.00 0.00 O ATOM 1094 CB PRO A 77 -7.035 11.152 -25.815 1.00 0.00 C ATOM 1095 CG PRO A 77 -8.344 10.511 -26.082 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.581 9.502 -24.996 1.00 0.00 C ATOM 0 HA PRO A 77 -5.539 9.528 -25.592 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.161 12.081 -25.258 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.527 11.405 -26.745 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.140 11.255 -26.094 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.343 10.029 -27.060 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.307 9.865 -24.269 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.974 8.569 -25.400 1.00 0.00 H new ATOM 1104 N ASP A 78 -4.117 11.112 -24.326 1.00 0.00 N ATOM 1105 CA ASP A 78 -3.189 11.827 -23.456 1.00 0.00 C ATOM 1106 C ASP A 78 -3.531 13.297 -23.422 1.00 0.00 C ATOM 1107 O ASP A 78 -3.300 13.984 -22.426 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.731 11.654 -23.909 1.00 0.00 C ATOM 1109 CG ASP A 78 -1.233 10.236 -23.811 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -0.772 9.819 -22.724 1.00 0.00 O1- ATOM 1111 OD2 ASP A 78 -1.288 9.505 -24.817 1.00 0.00 O ATOM 0 H ASP A 78 -3.708 10.801 -25.207 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.288 11.400 -22.458 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.637 11.993 -24.941 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.092 12.297 -23.303 1.00 0.00 H new ATOM 1116 N TRP A 79 -4.109 13.775 -24.513 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.500 15.165 -24.635 1.00 0.00 C ATOM 1118 C TRP A 79 -5.836 15.433 -23.956 1.00 0.00 C ATOM 1119 O TRP A 79 -6.265 16.565 -23.852 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.524 15.607 -26.108 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.398 14.793 -27.010 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -4.989 13.806 -27.831 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.814 14.914 -27.202 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -6.052 13.281 -28.515 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -7.184 13.949 -28.150 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.802 15.740 -26.658 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.493 13.786 -28.569 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -9.098 15.578 -27.076 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.434 14.608 -28.023 1.00 0.00 C ATOM 0 H TRP A 79 -4.319 13.209 -25.335 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.748 15.763 -24.120 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.853 16.645 -26.152 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.505 15.578 -26.495 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.966 13.476 -27.935 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -6.005 12.516 -29.188 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.550 16.490 -25.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.759 13.037 -29.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.871 16.211 -26.666 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.464 14.506 -28.330 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.489 14.394 -23.520 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.728 14.540 -22.822 1.00 0.00 C ATOM 1142 C LEU A 80 -7.389 14.720 -21.364 1.00 0.00 C ATOM 1143 O LEU A 80 -6.819 13.819 -20.736 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.615 13.303 -23.034 1.00 0.00 C ATOM 1145 CG LEU A 80 -9.993 13.330 -22.362 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.843 14.466 -22.906 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.706 11.999 -22.542 1.00 0.00 C ATOM 0 H LEU A 80 -6.178 13.430 -23.638 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.288 15.398 -23.193 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.760 13.166 -24.106 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.075 12.429 -22.671 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.842 13.499 -21.296 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.815 14.462 -22.412 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.344 15.416 -22.717 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.981 14.336 -23.979 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.682 12.040 -22.058 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.837 11.797 -23.605 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.111 11.204 -22.093 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.668 15.867 -20.838 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.326 16.151 -19.477 1.00 0.00 C ATOM 1161 C ALA A 81 -8.527 15.981 -18.612 1.00 0.00 C ATOM 1162 O ALA A 81 -9.617 16.373 -18.991 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.764 17.550 -19.340 1.00 0.00 C ATOM 0 H ALA A 81 -8.134 16.629 -21.330 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.555 15.451 -19.157 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.512 17.740 -18.297 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.867 17.643 -19.952 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.507 18.275 -19.672 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.336 15.381 -17.480 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.400 15.160 -16.541 1.00 0.00 C ATOM 1171 C ALA A 82 -8.957 15.633 -15.177 1.00 0.00 C ATOM 1172 O ALA A 82 -7.847 15.317 -14.741 1.00 0.00 O ATOM 1173 CB ALA A 82 -9.767 13.686 -16.506 1.00 0.00 C ATOM 0 H ALA A 82 -7.430 15.026 -17.175 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.284 15.721 -16.845 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.575 13.529 -15.791 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.093 13.368 -17.497 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.897 13.102 -16.205 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.764 16.428 -14.534 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.452 16.926 -13.207 1.00 0.00 C ATOM 1181 C GLU A 83 -10.649 16.751 -12.303 1.00 0.00 C ATOM 1182 O GLU A 83 -11.767 17.068 -12.701 1.00 0.00 O ATOM 1183 CB GLU A 83 -9.044 18.400 -13.236 1.00 0.00 C ATOM 1184 CG GLU A 83 -7.886 18.703 -14.155 1.00 0.00 C ATOM 1185 CD GLU A 83 -7.385 20.100 -14.007 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -8.129 21.051 -14.278 1.00 0.00 O1- ATOM 1187 OE2 GLU A 83 -6.223 20.277 -13.618 1.00 0.00 O ATOM 0 H GLU A 83 -10.656 16.754 -14.906 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.608 16.351 -12.826 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.903 18.997 -13.543 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.783 18.713 -12.225 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.073 18.006 -13.951 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.194 18.539 -15.188 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.446 16.217 -11.098 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.519 15.998 -10.129 1.00 0.00 C ATOM 1196 C PRO A 84 -12.124 17.313 -9.644 1.00 0.00 C ATOM 1197 O PRO A 84 -11.407 18.238 -9.241 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.798 15.277 -8.986 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.398 15.704 -9.114 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.154 15.748 -10.569 1.00 0.00 C ATOM 0 HA PRO A 84 -12.357 15.438 -10.545 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.212 15.555 -8.017 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.894 14.195 -9.075 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.238 16.680 -8.655 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.723 15.005 -8.620 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.341 16.428 -10.823 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.886 14.768 -10.965 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.415 17.396 -9.703 1.00 0.00 N ATOM 1209 CA TYR A 85 -14.137 18.564 -9.306 1.00 0.00 C ATOM 1210 C TYR A 85 -14.688 18.298 -7.921 1.00 0.00 C ATOM 1211 O TYR A 85 -14.009 18.642 -6.955 1.00 0.00 O ATOM 1212 CB TYR A 85 -15.268 18.829 -10.301 1.00 0.00 C ATOM 1213 CG TYR A 85 -15.974 20.177 -10.197 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -16.999 20.406 -9.282 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -15.638 21.203 -11.062 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -17.660 21.624 -9.248 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -16.278 22.415 -11.025 1.00 0.00 C ATOM 1218 CZ TYR A 85 -17.285 22.625 -10.126 1.00 0.00 C ATOM 1219 OH TYR A 85 -17.947 23.830 -10.133 1.00 0.00 O ATOM 1220 OXT TYR A 85 -15.783 17.680 -7.794 1.00 0.00 O1- ATOM 0 H TYR A 85 -14.010 16.637 -10.036 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.494 19.444 -9.291 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.863 18.735 -11.309 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -16.015 18.044 -10.183 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -17.282 19.626 -8.591 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -14.851 21.045 -11.785 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -18.461 21.790 -8.542 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -15.987 23.202 -11.705 1.00 0.00 H new ATOM 0 HH TYR A 85 -17.855 24.259 -9.257 1.00 0.00 H new TER 1230 TYR A 85