USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 LYS NZ :NH3+ -174:sc= 1.85 (180deg=0.853) USER MOD Set 1.2: A 64 TYR OH : rot 12:sc= 1.38 USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.151) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0164 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 26:sc= 0.889 USER MOD Single : A 6 SER OG : rot 150:sc= -0.0638 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.091 USER MOD Single : A 17 HIS : no HD1:sc=-0.00739 X(o=-0.0074,f=-0.3) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.036 X(o=-0.036,f=-0.036) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 49 GLN : amide:sc= 0.311 K(o=0.31,f=-2.1!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 110:sc= -0.867 USER MOD Single : A 70 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.22) USER MOD Single : A 72 SER OG : rot -126:sc= 0.483 USER MOD Single : A 78 SER OG : rot 123:sc= 0.452 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.158 7.039 11.155 1.00 30.32 N ATOM 2 CA MET A 1 -5.760 6.674 9.765 1.00 13.52 C ATOM 3 C MET A 1 -4.515 5.761 9.791 1.00 4.01 C ATOM 4 O MET A 1 -3.611 5.972 10.610 1.00 2.43 O ATOM 5 CB MET A 1 -5.498 7.957 8.935 1.00 15.34 C ATOM 6 CG MET A 1 -5.379 7.704 7.431 1.00 42.43 C ATOM 7 SD MET A 1 -6.850 6.883 6.761 1.00 2.13 S ATOM 8 CE MET A 1 -8.088 8.178 6.903 1.00 21.42 C ATOM 0 H1 MET A 1 -6.352 8.060 11.204 1.00 30.32 H new ATOM 0 H2 MET A 1 -7.014 6.511 11.421 1.00 30.32 H new ATOM 0 H3 MET A 1 -5.387 6.801 11.811 1.00 30.32 H new ATOM 0 HA MET A 1 -6.572 6.123 9.291 1.00 13.52 H new ATOM 0 HB2 MET A 1 -6.307 8.665 9.112 1.00 15.34 H new ATOM 0 HB3 MET A 1 -4.580 8.427 9.289 1.00 15.34 H new ATOM 0 HG2 MET A 1 -5.226 8.652 6.915 1.00 42.43 H new ATOM 0 HG3 MET A 1 -4.500 7.090 7.235 1.00 42.43 H new ATOM 0 HE1 MET A 1 -8.997 7.871 6.385 1.00 21.42 H new ATOM 0 HE2 MET A 1 -8.312 8.353 7.955 1.00 21.42 H new ATOM 0 HE3 MET A 1 -7.707 9.096 6.455 1.00 21.42 H new ATOM 18 N THR A 2 -4.482 4.741 8.905 1.00 12.32 N ATOM 19 CA THR A 2 -3.359 3.773 8.815 1.00 23.12 C ATOM 20 C THR A 2 -2.038 4.453 8.361 1.00 34.11 C ATOM 21 O THR A 2 -1.791 4.634 7.171 1.00 45.41 O ATOM 22 CB THR A 2 -3.703 2.580 7.839 1.00 12.35 C ATOM 23 OG1 THR A 2 -4.339 3.087 6.664 1.00 12.14 O ATOM 24 CG2 THR A 2 -4.608 1.504 8.465 1.00 41.32 C ATOM 0 H THR A 2 -5.229 4.563 8.233 1.00 12.32 H new ATOM 0 HA THR A 2 -3.213 3.378 9.820 1.00 23.12 H new ATOM 0 HB THR A 2 -2.753 2.101 7.603 1.00 12.35 H new ATOM 0 HG1 THR A 2 -4.062 4.015 6.517 1.00 12.14 H new ATOM 0 HG21 THR A 2 -4.799 0.719 7.734 1.00 41.32 H new ATOM 0 HG22 THR A 2 -4.114 1.075 9.337 1.00 41.32 H new ATOM 0 HG23 THR A 2 -5.553 1.955 8.769 1.00 41.32 H new ATOM 32 N ARG A 3 -1.220 4.876 9.337 1.00 34.35 N ATOM 33 CA ARG A 3 0.153 5.370 9.088 1.00 32.51 C ATOM 34 C ARG A 3 1.168 4.205 9.175 1.00 63.05 C ATOM 35 O ARG A 3 1.163 3.436 10.140 1.00 62.54 O ATOM 36 CB ARG A 3 0.529 6.491 10.100 1.00 62.14 C ATOM 37 CG ARG A 3 0.012 7.903 9.734 1.00 33.34 C ATOM 38 CD ARG A 3 0.461 8.974 10.757 1.00 5.31 C ATOM 39 NE ARG A 3 0.534 10.330 10.166 1.00 71.03 N ATOM 40 CZ ARG A 3 1.622 11.079 10.106 1.00 24.25 C ATOM 41 NH1 ARG A 3 2.781 10.619 10.483 1.00 30.23 N ATOM 42 NH2 ARG A 3 1.547 12.283 9.632 1.00 31.22 N ATOM 0 H ARG A 3 -1.486 4.887 10.322 1.00 34.35 H new ATOM 0 HA ARG A 3 0.188 5.791 8.083 1.00 32.51 H new ATOM 0 HB2 ARG A 3 0.138 6.220 11.081 1.00 62.14 H new ATOM 0 HB3 ARG A 3 1.615 6.530 10.189 1.00 62.14 H new ATOM 0 HG2 ARG A 3 0.375 8.175 8.743 1.00 33.34 H new ATOM 0 HG3 ARG A 3 -1.077 7.887 9.682 1.00 33.34 H new ATOM 0 HD2 ARG A 3 -0.235 8.984 11.596 1.00 5.31 H new ATOM 0 HD3 ARG A 3 1.438 8.703 11.157 1.00 5.31 H new ATOM 0 HE ARG A 3 -0.324 10.717 9.774 1.00 71.03 H new ATOM 0 HH11 ARG A 3 2.862 9.664 10.833 1.00 30.23 H new ATOM 0 HH12 ARG A 3 3.608 11.214 10.428 1.00 30.23 H new ATOM 0 HH21 ARG A 3 0.652 12.648 9.308 1.00 31.22 H new ATOM 0 HH22 ARG A 3 2.383 12.865 9.584 1.00 31.22 H new ATOM 56 N VAL A 4 2.026 4.080 8.148 1.00 24.22 N ATOM 57 CA VAL A 4 3.066 3.029 8.059 1.00 53.03 C ATOM 58 C VAL A 4 4.436 3.666 7.691 1.00 25.01 C ATOM 59 O VAL A 4 4.503 4.571 6.857 1.00 23.13 O ATOM 60 CB VAL A 4 2.657 1.919 7.004 1.00 14.23 C ATOM 61 CG1 VAL A 4 3.807 0.907 6.748 1.00 63.32 C ATOM 62 CG2 VAL A 4 1.361 1.178 7.446 1.00 32.10 C ATOM 0 H VAL A 4 2.021 4.710 7.346 1.00 24.22 H new ATOM 0 HA VAL A 4 3.157 2.545 9.032 1.00 53.03 H new ATOM 0 HB VAL A 4 2.458 2.431 6.063 1.00 14.23 H new ATOM 0 HG11 VAL A 4 3.483 0.165 6.019 1.00 63.32 H new ATOM 0 HG12 VAL A 4 4.679 1.436 6.364 1.00 63.32 H new ATOM 0 HG13 VAL A 4 4.068 0.409 7.682 1.00 63.32 H new ATOM 0 HG21 VAL A 4 1.103 0.422 6.704 1.00 32.10 H new ATOM 0 HG22 VAL A 4 1.527 0.698 8.411 1.00 32.10 H new ATOM 0 HG23 VAL A 4 0.544 1.894 7.533 1.00 32.10 H new ATOM 72 N ARG A 5 5.526 3.206 8.338 1.00 51.54 N ATOM 73 CA ARG A 5 6.899 3.706 8.075 1.00 11.33 C ATOM 74 C ARG A 5 7.727 2.656 7.282 1.00 21.54 C ATOM 75 O ARG A 5 7.773 1.482 7.654 1.00 22.33 O ATOM 76 CB ARG A 5 7.584 4.068 9.423 1.00 43.15 C ATOM 77 CG ARG A 5 8.992 4.693 9.288 1.00 71.42 C ATOM 78 CD ARG A 5 9.552 5.219 10.630 1.00 64.44 C ATOM 79 NE ARG A 5 9.693 4.166 11.651 1.00 41.24 N ATOM 80 CZ ARG A 5 10.108 4.353 12.888 1.00 55.52 C ATOM 81 NH1 ARG A 5 10.456 5.531 13.320 1.00 54.23 N ATOM 82 NH2 ARG A 5 10.175 3.345 13.694 1.00 45.51 N ATOM 0 H ARG A 5 5.485 2.481 9.055 1.00 51.54 H new ATOM 0 HA ARG A 5 6.843 4.604 7.460 1.00 11.33 H new ATOM 0 HB2 ARG A 5 6.943 4.764 9.964 1.00 43.15 H new ATOM 0 HB3 ARG A 5 7.659 3.166 10.030 1.00 43.15 H new ATOM 0 HG2 ARG A 5 9.677 3.948 8.882 1.00 71.42 H new ATOM 0 HG3 ARG A 5 8.952 5.513 8.571 1.00 71.42 H new ATOM 0 HD2 ARG A 5 10.524 5.680 10.455 1.00 64.44 H new ATOM 0 HD3 ARG A 5 8.893 6.000 11.011 1.00 64.44 H new ATOM 0 HE ARG A 5 9.449 3.214 11.378 1.00 41.24 H new ATOM 0 HH11 ARG A 5 10.411 6.337 12.696 1.00 54.23 H new ATOM 0 HH12 ARG A 5 10.774 5.648 14.282 1.00 54.23 H new ATOM 0 HH21 ARG A 5 9.908 2.415 13.371 1.00 45.51 H new ATOM 0 HH22 ARG A 5 10.495 3.479 14.653 1.00 45.51 H new ATOM 96 N SER A 6 8.378 3.096 6.184 1.00 30.20 N ATOM 97 CA SER A 6 9.162 2.209 5.278 1.00 41.30 C ATOM 98 C SER A 6 10.684 2.528 5.339 1.00 14.23 C ATOM 99 O SER A 6 11.097 3.535 5.946 1.00 51.33 O ATOM 100 CB SER A 6 8.627 2.350 3.837 1.00 23.42 C ATOM 101 OG SER A 6 9.298 1.492 2.928 1.00 33.04 O ATOM 0 H SER A 6 8.379 4.074 5.895 1.00 30.20 H new ATOM 0 HA SER A 6 9.040 1.178 5.610 1.00 41.30 H new ATOM 0 HB2 SER A 6 7.560 2.127 3.824 1.00 23.42 H new ATOM 0 HB3 SER A 6 8.740 3.383 3.509 1.00 23.42 H new ATOM 0 HG SER A 6 8.687 1.239 2.205 1.00 33.04 H new ATOM 107 N THR A 7 11.514 1.676 4.691 1.00 44.35 N ATOM 108 CA THR A 7 13.002 1.733 4.795 1.00 62.13 C ATOM 109 C THR A 7 13.711 1.951 3.426 1.00 3.45 C ATOM 110 O THR A 7 13.339 1.339 2.424 1.00 21.43 O ATOM 111 CB THR A 7 13.566 0.430 5.457 1.00 52.41 C ATOM 112 OG1 THR A 7 13.018 -0.746 4.831 1.00 40.14 O ATOM 113 CG2 THR A 7 13.274 0.405 6.957 1.00 33.50 C ATOM 0 H THR A 7 11.178 0.930 4.082 1.00 44.35 H new ATOM 0 HA THR A 7 13.217 2.600 5.420 1.00 62.13 H new ATOM 0 HB THR A 7 14.646 0.431 5.313 1.00 52.41 H new ATOM 0 HG1 THR A 7 13.386 -1.547 5.260 1.00 40.14 H new ATOM 0 HG21 THR A 7 13.677 -0.510 7.391 1.00 33.50 H new ATOM 0 HG22 THR A 7 13.740 1.268 7.433 1.00 33.50 H new ATOM 0 HG23 THR A 7 12.197 0.440 7.119 1.00 33.50 H new ATOM 121 N PRO A 8 14.776 2.829 3.380 1.00 14.42 N ATOM 122 CA PRO A 8 15.537 3.132 2.144 1.00 74.51 C ATOM 123 C PRO A 8 16.543 2.008 1.767 1.00 15.42 C ATOM 124 O PRO A 8 17.691 1.972 2.229 1.00 50.23 O ATOM 125 CB PRO A 8 16.225 4.464 2.517 1.00 40.14 C ATOM 126 CG PRO A 8 16.530 4.307 3.969 1.00 51.43 C ATOM 127 CD PRO A 8 15.320 3.601 4.533 1.00 61.20 C ATOM 0 HA PRO A 8 14.916 3.202 1.251 1.00 74.51 H new ATOM 0 HB2 PRO A 8 17.131 4.625 1.932 1.00 40.14 H new ATOM 0 HB3 PRO A 8 15.572 5.317 2.335 1.00 40.14 H new ATOM 0 HG2 PRO A 8 17.438 3.724 4.123 1.00 51.43 H new ATOM 0 HG3 PRO A 8 16.686 5.273 4.449 1.00 51.43 H new ATOM 0 HD2 PRO A 8 15.592 2.944 5.359 1.00 61.20 H new ATOM 0 HD3 PRO A 8 14.588 4.311 4.918 1.00 61.20 H new ATOM 135 N GLY A 9 16.064 1.066 0.952 1.00 33.23 N ATOM 136 CA GLY A 9 16.835 -0.123 0.550 1.00 71.21 C ATOM 137 C GLY A 9 16.120 -1.423 0.908 1.00 62.03 C ATOM 138 O GLY A 9 16.499 -2.499 0.435 1.00 15.21 O ATOM 0 H GLY A 9 15.128 1.102 0.548 1.00 33.23 H new ATOM 0 HA2 GLY A 9 17.012 -0.092 -0.525 1.00 71.21 H new ATOM 0 HA3 GLY A 9 17.811 -0.102 1.035 1.00 71.21 H new ATOM 142 N GLY A 10 15.080 -1.317 1.760 1.00 63.12 N ATOM 143 CA GLY A 10 14.279 -2.472 2.168 1.00 61.33 C ATOM 144 C GLY A 10 13.046 -2.685 1.289 1.00 13.41 C ATOM 145 O GLY A 10 13.123 -2.566 0.060 1.00 61.03 O ATOM 0 H GLY A 10 14.780 -0.435 2.176 1.00 63.12 H new ATOM 0 HA2 GLY A 10 14.900 -3.367 2.136 1.00 61.33 H new ATOM 0 HA3 GLY A 10 13.962 -2.340 3.203 1.00 61.33 H new ATOM 149 N ASP A 11 11.906 -2.997 1.920 1.00 53.14 N ATOM 150 CA ASP A 11 10.640 -3.267 1.215 1.00 64.22 C ATOM 151 C ASP A 11 9.422 -2.864 2.081 1.00 71.40 C ATOM 152 O ASP A 11 9.478 -2.896 3.317 1.00 42.33 O ATOM 153 CB ASP A 11 10.560 -4.765 0.805 1.00 62.13 C ATOM 154 CG ASP A 11 10.666 -5.734 1.997 1.00 61.31 C ATOM 155 OD1 ASP A 11 11.797 -6.067 2.416 1.00 12.33 O ATOM 156 OD2 ASP A 11 9.619 -6.170 2.522 1.00 71.21 O ATOM 0 H ASP A 11 11.833 -3.070 2.935 1.00 53.14 H new ATOM 0 HA ASP A 11 10.616 -2.660 0.310 1.00 64.22 H new ATOM 0 HB2 ASP A 11 9.618 -4.942 0.286 1.00 62.13 H new ATOM 0 HB3 ASP A 11 11.360 -4.983 0.097 1.00 62.13 H new ATOM 161 N LEU A 12 8.330 -2.483 1.407 1.00 21.45 N ATOM 162 CA LEU A 12 7.050 -2.145 2.055 1.00 54.50 C ATOM 163 C LEU A 12 6.165 -3.408 2.218 1.00 73.34 C ATOM 164 O LEU A 12 6.248 -4.337 1.411 1.00 25.51 O ATOM 165 CB LEU A 12 6.311 -1.075 1.199 1.00 54.12 C ATOM 166 CG LEU A 12 4.966 -0.536 1.775 1.00 22.32 C ATOM 167 CD1 LEU A 12 5.178 0.145 3.143 1.00 74.34 C ATOM 168 CD2 LEU A 12 4.269 0.410 0.772 1.00 11.31 C ATOM 0 H LEU A 12 8.306 -2.399 0.391 1.00 21.45 H new ATOM 0 HA LEU A 12 7.249 -1.744 3.049 1.00 54.50 H new ATOM 0 HB2 LEU A 12 6.984 -0.230 1.053 1.00 54.12 H new ATOM 0 HB3 LEU A 12 6.115 -1.500 0.215 1.00 54.12 H new ATOM 0 HG LEU A 12 4.305 -1.388 1.934 1.00 22.32 H new ATOM 0 HD11 LEU A 12 4.223 0.511 3.519 1.00 74.34 H new ATOM 0 HD12 LEU A 12 5.594 -0.575 3.847 1.00 74.34 H new ATOM 0 HD13 LEU A 12 5.868 0.982 3.030 1.00 74.34 H new ATOM 0 HD21 LEU A 12 3.334 0.770 1.201 1.00 11.31 H new ATOM 0 HD22 LEU A 12 4.920 1.257 0.558 1.00 11.31 H new ATOM 0 HD23 LEU A 12 4.060 -0.129 -0.152 1.00 11.31 H new ATOM 180 N GLU A 13 5.348 -3.442 3.292 1.00 74.52 N ATOM 181 CA GLU A 13 4.297 -4.471 3.488 1.00 1.23 C ATOM 182 C GLU A 13 3.069 -3.847 4.187 1.00 1.14 C ATOM 183 O GLU A 13 3.129 -3.487 5.367 1.00 23.04 O ATOM 184 CB GLU A 13 4.826 -5.673 4.322 1.00 33.44 C ATOM 185 CG GLU A 13 3.823 -6.842 4.471 1.00 32.12 C ATOM 186 CD GLU A 13 4.365 -8.007 5.318 1.00 62.50 C ATOM 187 OE1 GLU A 13 4.380 -7.892 6.561 1.00 11.42 O ATOM 188 OE2 GLU A 13 4.785 -9.036 4.750 1.00 35.34 O ATOM 0 H GLU A 13 5.396 -2.759 4.048 1.00 74.52 H new ATOM 0 HA GLU A 13 4.006 -4.843 2.506 1.00 1.23 H new ATOM 0 HB2 GLU A 13 5.737 -6.049 3.856 1.00 33.44 H new ATOM 0 HB3 GLU A 13 5.100 -5.317 5.315 1.00 33.44 H new ATOM 0 HG2 GLU A 13 2.905 -6.468 4.925 1.00 32.12 H new ATOM 0 HG3 GLU A 13 3.560 -7.214 3.481 1.00 32.12 H new ATOM 195 N LEU A 14 1.961 -3.703 3.444 1.00 11.42 N ATOM 196 CA LEU A 14 0.694 -3.173 3.982 1.00 52.55 C ATOM 197 C LEU A 14 -0.315 -4.323 4.138 1.00 14.54 C ATOM 198 O LEU A 14 -0.920 -4.750 3.160 1.00 32.32 O ATOM 199 CB LEU A 14 0.124 -2.092 3.012 1.00 73.24 C ATOM 200 CG LEU A 14 1.074 -0.898 2.694 1.00 40.44 C ATOM 201 CD1 LEU A 14 0.447 0.088 1.689 1.00 1.01 C ATOM 202 CD2 LEU A 14 1.501 -0.179 3.983 1.00 34.41 C ATOM 0 H LEU A 14 1.916 -3.949 2.455 1.00 11.42 H new ATOM 0 HA LEU A 14 0.873 -2.717 4.956 1.00 52.55 H new ATOM 0 HB2 LEU A 14 -0.145 -2.578 2.074 1.00 73.24 H new ATOM 0 HB3 LEU A 14 -0.796 -1.695 3.441 1.00 73.24 H new ATOM 0 HG LEU A 14 1.966 -1.311 2.222 1.00 40.44 H new ATOM 0 HD11 LEU A 14 1.144 0.904 1.497 1.00 1.01 H new ATOM 0 HD12 LEU A 14 0.231 -0.432 0.756 1.00 1.01 H new ATOM 0 HD13 LEU A 14 -0.478 0.490 2.103 1.00 1.01 H new ATOM 0 HD21 LEU A 14 2.163 0.650 3.735 1.00 34.41 H new ATOM 0 HD22 LEU A 14 0.618 0.203 4.496 1.00 34.41 H new ATOM 0 HD23 LEU A 14 2.025 -0.879 4.634 1.00 34.41 H new ATOM 214 N VAL A 15 -0.496 -4.816 5.377 1.00 70.31 N ATOM 215 CA VAL A 15 -1.508 -5.849 5.687 1.00 64.11 C ATOM 216 C VAL A 15 -2.757 -5.159 6.269 1.00 21.21 C ATOM 217 O VAL A 15 -2.709 -4.561 7.351 1.00 22.35 O ATOM 218 CB VAL A 15 -0.961 -6.932 6.682 1.00 32.44 C ATOM 219 CG1 VAL A 15 -2.032 -8.017 6.979 1.00 31.33 C ATOM 220 CG2 VAL A 15 0.352 -7.561 6.143 1.00 30.22 C ATOM 0 H VAL A 15 0.048 -4.515 6.186 1.00 70.31 H new ATOM 0 HA VAL A 15 -1.763 -6.373 4.766 1.00 64.11 H new ATOM 0 HB VAL A 15 -0.731 -6.438 7.626 1.00 32.44 H new ATOM 0 HG11 VAL A 15 -1.622 -8.753 7.671 1.00 31.33 H new ATOM 0 HG12 VAL A 15 -2.910 -7.549 7.424 1.00 31.33 H new ATOM 0 HG13 VAL A 15 -2.316 -8.512 6.050 1.00 31.33 H new ATOM 0 HG21 VAL A 15 0.714 -8.309 6.849 1.00 30.22 H new ATOM 0 HG22 VAL A 15 0.160 -8.034 5.180 1.00 30.22 H new ATOM 0 HG23 VAL A 15 1.105 -6.783 6.022 1.00 30.22 H new ATOM 230 N VAL A 16 -3.866 -5.245 5.531 1.00 75.01 N ATOM 231 CA VAL A 16 -5.066 -4.425 5.773 1.00 43.53 C ATOM 232 C VAL A 16 -6.174 -5.235 6.473 1.00 11.12 C ATOM 233 O VAL A 16 -6.407 -6.406 6.151 1.00 4.13 O ATOM 234 CB VAL A 16 -5.615 -3.835 4.427 1.00 12.23 C ATOM 235 CG1 VAL A 16 -6.647 -2.724 4.677 1.00 14.10 C ATOM 236 CG2 VAL A 16 -4.463 -3.324 3.544 1.00 52.34 C ATOM 0 H VAL A 16 -3.962 -5.887 4.744 1.00 75.01 H new ATOM 0 HA VAL A 16 -4.771 -3.607 6.431 1.00 43.53 H new ATOM 0 HB VAL A 16 -6.122 -4.641 3.897 1.00 12.23 H new ATOM 0 HG11 VAL A 16 -7.005 -2.339 3.722 1.00 14.10 H new ATOM 0 HG12 VAL A 16 -7.486 -3.128 5.244 1.00 14.10 H new ATOM 0 HG13 VAL A 16 -6.182 -1.916 5.243 1.00 14.10 H new ATOM 0 HG21 VAL A 16 -4.868 -2.919 2.616 1.00 52.34 H new ATOM 0 HG22 VAL A 16 -3.918 -2.543 4.073 1.00 52.34 H new ATOM 0 HG23 VAL A 16 -3.786 -4.148 3.316 1.00 52.34 H new ATOM 246 N HIS A 17 -6.848 -4.593 7.446 1.00 11.22 N ATOM 247 CA HIS A 17 -7.972 -5.195 8.196 1.00 53.44 C ATOM 248 C HIS A 17 -9.176 -4.221 8.265 1.00 15.30 C ATOM 249 O HIS A 17 -9.944 -4.239 9.237 1.00 13.54 O ATOM 250 CB HIS A 17 -7.494 -5.605 9.616 1.00 53.25 C ATOM 251 CG HIS A 17 -6.373 -6.613 9.612 1.00 13.43 C ATOM 252 ND1 HIS A 17 -6.571 -7.950 9.344 1.00 53.33 N ATOM 253 CD2 HIS A 17 -5.033 -6.465 9.783 1.00 33.12 C ATOM 254 CE1 HIS A 17 -5.414 -8.577 9.356 1.00 63.13 C ATOM 255 NE2 HIS A 17 -4.465 -7.705 9.617 1.00 31.41 N ATOM 0 H HIS A 17 -6.630 -3.640 7.736 1.00 11.22 H new ATOM 0 HA HIS A 17 -8.309 -6.089 7.672 1.00 53.44 H new ATOM 0 HB2 HIS A 17 -7.167 -4.713 10.151 1.00 53.25 H new ATOM 0 HB3 HIS A 17 -8.338 -6.016 10.169 1.00 53.25 H new ATOM 0 HD2 HIS A 17 -4.512 -5.546 10.007 1.00 33.12 H new ATOM 0 HE1 HIS A 17 -5.268 -9.633 9.181 1.00 63.13 H new ATOM 0 HE2 HIS A 17 -3.469 -7.915 9.685 1.00 31.41 H new ATOM 264 N LEU A 18 -9.323 -3.365 7.223 1.00 12.20 N ATOM 265 CA LEU A 18 -10.522 -2.499 7.036 1.00 51.31 C ATOM 266 C LEU A 18 -11.860 -3.297 7.028 1.00 72.44 C ATOM 267 O LEU A 18 -11.884 -4.501 6.752 1.00 64.12 O ATOM 268 CB LEU A 18 -10.377 -1.611 5.750 1.00 54.12 C ATOM 269 CG LEU A 18 -10.046 -2.286 4.357 1.00 24.14 C ATOM 270 CD1 LEU A 18 -11.124 -3.238 3.817 1.00 61.01 C ATOM 271 CD2 LEU A 18 -9.718 -1.208 3.298 1.00 64.34 C ATOM 0 H LEU A 18 -8.621 -3.253 6.492 1.00 12.20 H new ATOM 0 HA LEU A 18 -10.569 -1.843 7.905 1.00 51.31 H new ATOM 0 HB2 LEU A 18 -11.309 -1.059 5.630 1.00 54.12 H new ATOM 0 HB3 LEU A 18 -9.596 -0.877 5.949 1.00 54.12 H new ATOM 0 HG LEU A 18 -9.176 -2.913 4.552 1.00 24.14 H new ATOM 0 HD11 LEU A 18 -10.801 -3.647 2.860 1.00 61.01 H new ATOM 0 HD12 LEU A 18 -11.279 -4.051 4.526 1.00 61.01 H new ATOM 0 HD13 LEU A 18 -12.057 -2.692 3.682 1.00 61.01 H new ATOM 0 HD21 LEU A 18 -9.493 -1.689 2.346 1.00 64.34 H new ATOM 0 HD22 LEU A 18 -10.575 -0.545 3.176 1.00 64.34 H new ATOM 0 HD23 LEU A 18 -8.855 -0.628 3.624 1.00 64.34 H new ATOM 283 N SER A 19 -12.978 -2.594 7.305 1.00 52.52 N ATOM 284 CA SER A 19 -14.339 -3.198 7.314 1.00 22.35 C ATOM 285 C SER A 19 -15.007 -3.090 5.918 1.00 73.24 C ATOM 286 O SER A 19 -16.171 -2.689 5.795 1.00 1.52 O ATOM 287 CB SER A 19 -15.209 -2.523 8.409 1.00 63.43 C ATOM 288 OG SER A 19 -14.661 -2.735 9.707 1.00 23.33 O ATOM 0 H SER A 19 -12.970 -1.599 7.528 1.00 52.52 H new ATOM 0 HA SER A 19 -14.249 -4.259 7.548 1.00 22.35 H new ATOM 0 HB2 SER A 19 -15.280 -1.453 8.212 1.00 63.43 H new ATOM 0 HB3 SER A 19 -16.222 -2.923 8.370 1.00 63.43 H new ATOM 0 HG SER A 19 -15.228 -2.298 10.377 1.00 23.33 H new ATOM 294 N GLY A 20 -14.257 -3.475 4.872 1.00 60.43 N ATOM 295 CA GLY A 20 -14.750 -3.443 3.488 1.00 30.42 C ATOM 296 C GLY A 20 -15.602 -4.671 3.134 1.00 1.55 C ATOM 297 O GLY A 20 -15.152 -5.800 3.366 1.00 73.03 O ATOM 0 H GLY A 20 -13.299 -3.814 4.962 1.00 60.43 H new ATOM 0 HA2 GLY A 20 -15.342 -2.540 3.338 1.00 30.42 H new ATOM 0 HA3 GLY A 20 -13.902 -3.385 2.806 1.00 30.42 H new ATOM 301 N PRO A 21 -16.844 -4.493 2.580 1.00 63.23 N ATOM 302 CA PRO A 21 -17.741 -5.627 2.217 1.00 53.14 C ATOM 303 C PRO A 21 -17.197 -6.510 1.056 1.00 44.32 C ATOM 304 O PRO A 21 -17.445 -6.225 -0.124 1.00 1.14 O ATOM 305 CB PRO A 21 -19.081 -4.927 1.834 1.00 74.15 C ATOM 306 CG PRO A 21 -18.957 -3.528 2.370 1.00 3.12 C ATOM 307 CD PRO A 21 -17.490 -3.192 2.292 1.00 31.02 C ATOM 0 HA PRO A 21 -17.842 -6.334 3.040 1.00 53.14 H new ATOM 0 HB2 PRO A 21 -19.230 -4.924 0.754 1.00 74.15 H new ATOM 0 HB3 PRO A 21 -19.935 -5.443 2.272 1.00 74.15 H new ATOM 0 HG2 PRO A 21 -19.551 -2.829 1.781 1.00 3.12 H new ATOM 0 HG3 PRO A 21 -19.319 -3.468 3.396 1.00 3.12 H new ATOM 0 HD2 PRO A 21 -17.213 -2.811 1.309 1.00 31.02 H new ATOM 0 HD3 PRO A 21 -17.209 -2.430 3.020 1.00 31.02 H new ATOM 315 N GLY A 22 -16.417 -7.556 1.423 1.00 40.14 N ATOM 316 CA GLY A 22 -15.921 -8.573 0.474 1.00 54.41 C ATOM 317 C GLY A 22 -14.920 -8.038 -0.562 1.00 51.44 C ATOM 318 O GLY A 22 -13.699 -8.136 -0.381 1.00 75.51 O ATOM 0 H GLY A 22 -16.117 -7.715 2.385 1.00 40.14 H new ATOM 0 HA2 GLY A 22 -15.448 -9.378 1.037 1.00 54.41 H new ATOM 0 HA3 GLY A 22 -16.771 -9.008 -0.051 1.00 54.41 H new ATOM 322 N GLY A 23 -15.457 -7.468 -1.654 1.00 53.33 N ATOM 323 CA GLY A 23 -14.647 -6.916 -2.745 1.00 72.34 C ATOM 324 C GLY A 23 -15.490 -6.304 -3.879 1.00 54.43 C ATOM 325 O GLY A 23 -16.712 -6.180 -3.734 1.00 21.32 O ATOM 0 H GLY A 23 -16.462 -7.379 -1.802 1.00 53.33 H new ATOM 0 HA2 GLY A 23 -13.981 -6.152 -2.343 1.00 72.34 H new ATOM 0 HA3 GLY A 23 -14.016 -7.705 -3.155 1.00 72.34 H new ATOM 329 N PRO A 24 -14.870 -5.867 -5.026 1.00 21.02 N ATOM 330 CA PRO A 24 -13.391 -5.851 -5.227 1.00 60.14 C ATOM 331 C PRO A 24 -12.696 -4.649 -4.513 1.00 51.41 C ATOM 332 O PRO A 24 -12.935 -3.481 -4.847 1.00 51.53 O ATOM 333 CB PRO A 24 -13.261 -5.760 -6.770 1.00 64.42 C ATOM 334 CG PRO A 24 -14.478 -4.991 -7.204 1.00 65.42 C ATOM 335 CD PRO A 24 -15.590 -5.380 -6.239 1.00 62.51 C ATOM 0 HA PRO A 24 -12.898 -6.723 -4.797 1.00 60.14 H new ATOM 0 HB2 PRO A 24 -12.343 -5.249 -7.062 1.00 64.42 H new ATOM 0 HB3 PRO A 24 -13.233 -6.750 -7.225 1.00 64.42 H new ATOM 0 HG2 PRO A 24 -14.292 -3.917 -7.172 1.00 65.42 H new ATOM 0 HG3 PRO A 24 -14.749 -5.237 -8.231 1.00 65.42 H new ATOM 0 HD2 PRO A 24 -16.231 -4.530 -6.007 1.00 62.51 H new ATOM 0 HD3 PRO A 24 -16.230 -6.156 -6.660 1.00 62.51 H new ATOM 343 N VAL A 25 -11.858 -4.959 -3.502 1.00 13.22 N ATOM 344 CA VAL A 25 -11.058 -3.947 -2.791 1.00 31.10 C ATOM 345 C VAL A 25 -9.836 -3.552 -3.662 1.00 71.14 C ATOM 346 O VAL A 25 -9.006 -4.398 -4.015 1.00 1.44 O ATOM 347 CB VAL A 25 -10.586 -4.446 -1.372 1.00 12.22 C ATOM 348 CG1 VAL A 25 -9.812 -3.331 -0.614 1.00 45.04 C ATOM 349 CG2 VAL A 25 -11.785 -4.958 -0.529 1.00 23.03 C ATOM 0 H VAL A 25 -11.719 -5.910 -3.160 1.00 13.22 H new ATOM 0 HA VAL A 25 -11.691 -3.075 -2.624 1.00 31.10 H new ATOM 0 HB VAL A 25 -9.904 -5.282 -1.527 1.00 12.22 H new ATOM 0 HG11 VAL A 25 -9.499 -3.704 0.361 1.00 45.04 H new ATOM 0 HG12 VAL A 25 -8.934 -3.041 -1.191 1.00 45.04 H new ATOM 0 HG13 VAL A 25 -10.460 -2.465 -0.480 1.00 45.04 H new ATOM 0 HG21 VAL A 25 -11.428 -5.295 0.444 1.00 23.03 H new ATOM 0 HG22 VAL A 25 -12.504 -4.151 -0.392 1.00 23.03 H new ATOM 0 HG23 VAL A 25 -12.266 -5.788 -1.047 1.00 23.03 H new ATOM 359 N ARG A 26 -9.748 -2.258 -3.992 1.00 45.31 N ATOM 360 CA ARG A 26 -8.754 -1.704 -4.925 1.00 64.41 C ATOM 361 C ARG A 26 -7.529 -1.156 -4.163 1.00 62.03 C ATOM 362 O ARG A 26 -7.569 -0.966 -2.947 1.00 72.04 O ATOM 363 CB ARG A 26 -9.417 -0.545 -5.727 1.00 42.41 C ATOM 364 CG ARG A 26 -10.746 -0.914 -6.432 1.00 41.45 C ATOM 365 CD ARG A 26 -11.481 0.327 -6.982 1.00 73.32 C ATOM 366 NE ARG A 26 -12.754 -0.027 -7.644 1.00 41.41 N ATOM 367 CZ ARG A 26 -13.928 0.522 -7.409 1.00 1.23 C ATOM 368 NH1 ARG A 26 -14.092 1.404 -6.466 1.00 43.12 N ATOM 369 NH2 ARG A 26 -14.955 0.153 -8.106 1.00 63.40 N ATOM 0 H ARG A 26 -10.377 -1.551 -3.612 1.00 45.31 H new ATOM 0 HA ARG A 26 -8.418 -2.495 -5.596 1.00 64.41 H new ATOM 0 HB2 ARG A 26 -9.602 0.287 -5.048 1.00 42.41 H new ATOM 0 HB3 ARG A 26 -8.710 -0.192 -6.478 1.00 42.41 H new ATOM 0 HG2 ARG A 26 -10.541 -1.605 -7.250 1.00 41.45 H new ATOM 0 HG3 ARG A 26 -11.395 -1.436 -5.729 1.00 41.45 H new ATOM 0 HD2 ARG A 26 -11.679 1.022 -6.166 1.00 73.32 H new ATOM 0 HD3 ARG A 26 -10.836 0.845 -7.692 1.00 73.32 H new ATOM 0 HE ARG A 26 -12.720 -0.765 -8.348 1.00 41.41 H new ATOM 0 HH11 ARG A 26 -13.300 1.686 -5.888 1.00 43.12 H new ATOM 0 HH12 ARG A 26 -15.012 1.814 -6.305 1.00 43.12 H new ATOM 0 HH21 ARG A 26 -14.851 -0.558 -8.830 1.00 63.40 H new ATOM 0 HH22 ARG A 26 -15.868 0.573 -7.931 1.00 63.40 H new ATOM 383 N TRP A 27 -6.443 -0.918 -4.903 1.00 64.40 N ATOM 384 CA TRP A 27 -5.200 -0.320 -4.378 1.00 51.52 C ATOM 385 C TRP A 27 -4.783 0.864 -5.247 1.00 44.44 C ATOM 386 O TRP A 27 -4.732 0.735 -6.458 1.00 72.40 O ATOM 387 CB TRP A 27 -4.059 -1.370 -4.339 1.00 24.22 C ATOM 388 CG TRP A 27 -4.089 -2.231 -3.113 1.00 55.12 C ATOM 389 CD1 TRP A 27 -4.564 -3.509 -2.979 1.00 32.14 C ATOM 390 CD2 TRP A 27 -3.630 -1.830 -1.824 1.00 22.11 C ATOM 391 NE1 TRP A 27 -4.382 -3.936 -1.690 1.00 45.41 N ATOM 392 CE2 TRP A 27 -3.817 -2.916 -0.962 1.00 54.40 C ATOM 393 CE3 TRP A 27 -3.057 -0.649 -1.329 1.00 14.40 C ATOM 394 CZ2 TRP A 27 -3.445 -2.861 0.369 1.00 51.33 C ATOM 395 CZ3 TRP A 27 -2.704 -0.590 0.000 1.00 23.22 C ATOM 396 CH2 TRP A 27 -2.898 -1.691 0.838 1.00 4.40 C ATOM 0 H TRP A 27 -6.396 -1.136 -5.898 1.00 64.40 H new ATOM 0 HA TRP A 27 -5.388 0.026 -3.362 1.00 51.52 H new ATOM 0 HB2 TRP A 27 -4.128 -2.005 -5.222 1.00 24.22 H new ATOM 0 HB3 TRP A 27 -3.099 -0.856 -4.390 1.00 24.22 H new ATOM 0 HD1 TRP A 27 -5.014 -4.091 -3.770 1.00 32.14 H new ATOM 0 HE1 TRP A 27 -4.626 -4.859 -1.330 1.00 45.41 H new ATOM 0 HE3 TRP A 27 -2.896 0.198 -1.979 1.00 14.40 H new ATOM 0 HZ2 TRP A 27 -3.580 -3.712 1.020 1.00 51.33 H new ATOM 0 HZ3 TRP A 27 -2.273 0.316 0.399 1.00 23.22 H new ATOM 0 HH2 TRP A 27 -2.612 -1.621 1.877 1.00 4.40 H new ATOM 407 N TYR A 28 -4.486 2.005 -4.610 1.00 12.44 N ATOM 408 CA TYR A 28 -3.993 3.226 -5.293 1.00 0.12 C ATOM 409 C TYR A 28 -2.644 3.675 -4.704 1.00 62.23 C ATOM 410 O TYR A 28 -2.240 3.220 -3.639 1.00 70.42 O ATOM 411 CB TYR A 28 -5.029 4.375 -5.192 1.00 41.02 C ATOM 412 CG TYR A 28 -6.373 4.082 -5.885 1.00 64.31 C ATOM 413 CD1 TYR A 28 -6.580 4.407 -7.225 1.00 75.33 C ATOM 414 CD2 TYR A 28 -7.429 3.481 -5.196 1.00 63.22 C ATOM 415 CE1 TYR A 28 -7.780 4.142 -7.853 1.00 51.03 C ATOM 416 CE2 TYR A 28 -8.628 3.214 -5.824 1.00 2.14 C ATOM 417 CZ TYR A 28 -8.800 3.548 -7.145 1.00 75.40 C ATOM 418 OH TYR A 28 -10.003 3.292 -7.759 1.00 12.23 O ATOM 0 H TYR A 28 -4.579 2.115 -3.600 1.00 12.44 H new ATOM 0 HA TYR A 28 -3.849 2.983 -6.346 1.00 0.12 H new ATOM 0 HB2 TYR A 28 -5.216 4.588 -4.139 1.00 41.02 H new ATOM 0 HB3 TYR A 28 -4.598 5.276 -5.628 1.00 41.02 H new ATOM 0 HD1 TYR A 28 -5.784 4.876 -7.784 1.00 75.33 H new ATOM 0 HD2 TYR A 28 -7.305 3.221 -4.155 1.00 63.22 H new ATOM 0 HE1 TYR A 28 -7.918 4.399 -8.893 1.00 51.03 H new ATOM 0 HE2 TYR A 28 -9.431 2.743 -5.277 1.00 2.14 H new ATOM 0 HH TYR A 28 -9.855 3.128 -8.714 1.00 12.23 H new ATOM 428 N LYS A 29 -1.958 4.557 -5.438 1.00 65.13 N ATOM 429 CA LYS A 29 -0.704 5.197 -4.986 1.00 31.03 C ATOM 430 C LYS A 29 -0.518 6.550 -5.693 1.00 32.31 C ATOM 431 O LYS A 29 -0.570 6.622 -6.926 1.00 54.51 O ATOM 432 CB LYS A 29 0.515 4.271 -5.234 1.00 23.11 C ATOM 433 CG LYS A 29 1.919 4.929 -5.122 1.00 70.02 C ATOM 434 CD LYS A 29 2.179 5.662 -3.780 1.00 53.22 C ATOM 435 CE LYS A 29 3.591 6.273 -3.710 1.00 23.41 C ATOM 436 NZ LYS A 29 4.652 5.236 -3.794 1.00 3.44 N ATOM 0 H LYS A 29 -2.253 4.853 -6.368 1.00 65.13 H new ATOM 0 HA LYS A 29 -0.772 5.371 -3.912 1.00 31.03 H new ATOM 0 HB2 LYS A 29 0.467 3.446 -4.523 1.00 23.11 H new ATOM 0 HB3 LYS A 29 0.419 3.839 -6.230 1.00 23.11 H new ATOM 0 HG2 LYS A 29 2.679 4.159 -5.254 1.00 70.02 H new ATOM 0 HG3 LYS A 29 2.040 5.640 -5.939 1.00 70.02 H new ATOM 0 HD2 LYS A 29 1.438 6.451 -3.650 1.00 53.22 H new ATOM 0 HD3 LYS A 29 2.047 4.962 -2.955 1.00 53.22 H new ATOM 0 HE2 LYS A 29 3.717 6.987 -4.523 1.00 23.41 H new ATOM 0 HE3 LYS A 29 3.700 6.828 -2.778 1.00 23.41 H new ATOM 0 HZ1 LYS A 29 5.581 5.677 -3.641 1.00 3.44 H new ATOM 0 HZ2 LYS A 29 4.488 4.512 -3.065 1.00 3.44 H new ATOM 0 HZ3 LYS A 29 4.630 4.792 -4.734 1.00 3.44 H new ATOM 450 N ASP A 30 -0.330 7.619 -4.877 1.00 65.54 N ATOM 451 CA ASP A 30 -0.030 8.991 -5.356 1.00 42.40 C ATOM 452 C ASP A 30 -1.205 9.564 -6.211 1.00 21.04 C ATOM 453 O ASP A 30 -1.053 10.555 -6.932 1.00 15.40 O ATOM 454 CB ASP A 30 1.333 8.979 -6.126 1.00 71.20 C ATOM 455 CG ASP A 30 1.908 10.377 -6.440 1.00 54.23 C ATOM 456 OD1 ASP A 30 2.419 11.041 -5.513 1.00 51.34 O ATOM 457 OD2 ASP A 30 1.873 10.811 -7.614 1.00 64.34 O ATOM 0 H ASP A 30 -0.383 7.551 -3.861 1.00 65.54 H new ATOM 0 HA ASP A 30 0.070 9.663 -4.504 1.00 42.40 H new ATOM 0 HB2 ASP A 30 2.063 8.425 -5.536 1.00 71.20 H new ATOM 0 HB3 ASP A 30 1.201 8.436 -7.062 1.00 71.20 H new ATOM 462 N GLY A 31 -2.392 8.935 -6.088 1.00 72.24 N ATOM 463 CA GLY A 31 -3.579 9.313 -6.862 1.00 61.45 C ATOM 464 C GLY A 31 -4.134 8.194 -7.749 1.00 41.31 C ATOM 465 O GLY A 31 -5.352 8.127 -7.964 1.00 44.15 O ATOM 0 H GLY A 31 -2.548 8.154 -5.450 1.00 72.24 H new ATOM 0 HA2 GLY A 31 -4.360 9.636 -6.174 1.00 61.45 H new ATOM 0 HA3 GLY A 31 -3.332 10.170 -7.489 1.00 61.45 H new ATOM 469 N GLU A 32 -3.263 7.291 -8.255 1.00 44.12 N ATOM 470 CA GLU A 32 -3.661 6.293 -9.289 1.00 23.12 C ATOM 471 C GLU A 32 -3.234 4.853 -8.921 1.00 33.51 C ATOM 472 O GLU A 32 -2.181 4.634 -8.319 1.00 40.31 O ATOM 473 CB GLU A 32 -3.097 6.709 -10.674 1.00 51.44 C ATOM 474 CG GLU A 32 -3.600 5.848 -11.856 1.00 54.31 C ATOM 475 CD GLU A 32 -3.343 6.486 -13.228 1.00 74.21 C ATOM 476 OE1 GLU A 32 -2.258 6.276 -13.801 1.00 32.44 O ATOM 477 OE2 GLU A 32 -4.238 7.204 -13.742 1.00 52.14 O ATOM 0 H GLU A 32 -2.286 7.228 -7.970 1.00 44.12 H new ATOM 0 HA GLU A 32 -4.750 6.286 -9.336 1.00 23.12 H new ATOM 0 HB2 GLU A 32 -3.360 7.750 -10.862 1.00 51.44 H new ATOM 0 HB3 GLU A 32 -2.009 6.656 -10.640 1.00 51.44 H new ATOM 0 HG2 GLU A 32 -3.112 4.874 -11.820 1.00 54.31 H new ATOM 0 HG3 GLU A 32 -4.670 5.674 -11.739 1.00 54.31 H new ATOM 484 N ARG A 33 -4.070 3.882 -9.345 1.00 35.32 N ATOM 485 CA ARG A 33 -4.024 2.473 -8.887 1.00 34.01 C ATOM 486 C ARG A 33 -2.709 1.715 -9.209 1.00 11.12 C ATOM 487 O ARG A 33 -2.002 2.040 -10.169 1.00 25.22 O ATOM 488 CB ARG A 33 -5.253 1.668 -9.432 1.00 13.32 C ATOM 489 CG ARG A 33 -5.151 1.176 -10.895 1.00 23.43 C ATOM 490 CD ARG A 33 -5.279 2.295 -11.940 1.00 62.55 C ATOM 491 NE ARG A 33 -5.191 1.783 -13.317 1.00 54.35 N ATOM 492 CZ ARG A 33 -5.348 2.503 -14.404 1.00 73.21 C ATOM 493 NH1 ARG A 33 -5.646 3.764 -14.347 1.00 33.12 N ATOM 494 NH2 ARG A 33 -5.210 1.948 -15.559 1.00 74.32 N ATOM 0 H ARG A 33 -4.809 4.056 -10.026 1.00 35.32 H new ATOM 0 HA ARG A 33 -4.064 2.538 -7.800 1.00 34.01 H new ATOM 0 HB2 ARG A 33 -5.408 0.802 -8.789 1.00 13.32 H new ATOM 0 HB3 ARG A 33 -6.140 2.294 -9.342 1.00 13.32 H new ATOM 0 HG2 ARG A 33 -4.194 0.672 -11.032 1.00 23.43 H new ATOM 0 HG3 ARG A 33 -5.930 0.435 -11.074 1.00 23.43 H new ATOM 0 HD2 ARG A 33 -6.231 2.808 -11.805 1.00 62.55 H new ATOM 0 HD3 ARG A 33 -4.493 3.033 -11.778 1.00 62.55 H new ATOM 0 HE ARG A 33 -4.992 0.790 -13.437 1.00 54.35 H new ATOM 0 HH11 ARG A 33 -5.764 4.220 -13.442 1.00 33.12 H new ATOM 0 HH12 ARG A 33 -5.762 4.300 -15.207 1.00 33.12 H new ATOM 0 HH21 ARG A 33 -4.980 0.956 -15.624 1.00 74.32 H new ATOM 0 HH22 ARG A 33 -5.330 2.500 -16.408 1.00 74.32 H new ATOM 508 N LEU A 34 -2.396 0.699 -8.368 1.00 2.04 N ATOM 509 CA LEU A 34 -1.277 -0.249 -8.600 1.00 50.43 C ATOM 510 C LEU A 34 -1.791 -1.590 -9.176 1.00 62.03 C ATOM 511 O LEU A 34 -2.951 -1.973 -8.976 1.00 50.24 O ATOM 512 CB LEU A 34 -0.489 -0.526 -7.281 1.00 10.03 C ATOM 513 CG LEU A 34 0.180 0.704 -6.598 1.00 63.21 C ATOM 514 CD1 LEU A 34 1.046 0.282 -5.397 1.00 15.41 C ATOM 515 CD2 LEU A 34 1.004 1.528 -7.614 1.00 73.32 C ATOM 0 H LEU A 34 -2.913 0.513 -7.508 1.00 2.04 H new ATOM 0 HA LEU A 34 -0.608 0.218 -9.323 1.00 50.43 H new ATOM 0 HB2 LEU A 34 -1.172 -0.983 -6.565 1.00 10.03 H new ATOM 0 HB3 LEU A 34 0.287 -1.261 -7.495 1.00 10.03 H new ATOM 0 HG LEU A 34 -0.619 1.341 -6.219 1.00 63.21 H new ATOM 0 HD11 LEU A 34 1.497 1.166 -4.945 1.00 15.41 H new ATOM 0 HD12 LEU A 34 0.423 -0.225 -4.660 1.00 15.41 H new ATOM 0 HD13 LEU A 34 1.832 -0.394 -5.735 1.00 15.41 H new ATOM 0 HD21 LEU A 34 1.459 2.380 -7.108 1.00 73.32 H new ATOM 0 HD22 LEU A 34 1.786 0.901 -8.042 1.00 73.32 H new ATOM 0 HD23 LEU A 34 0.349 1.885 -8.409 1.00 73.32 H new ATOM 527 N ALA A 35 -0.899 -2.288 -9.891 1.00 21.31 N ATOM 528 CA ALA A 35 -1.123 -3.656 -10.398 1.00 2.42 C ATOM 529 C ALA A 35 0.080 -4.539 -10.010 1.00 64.35 C ATOM 530 O ALA A 35 1.201 -4.033 -9.912 1.00 32.31 O ATOM 531 CB ALA A 35 -1.325 -3.636 -11.925 1.00 14.25 C ATOM 0 H ALA A 35 0.017 -1.914 -10.140 1.00 21.31 H new ATOM 0 HA ALA A 35 -2.027 -4.070 -9.951 1.00 2.42 H new ATOM 0 HB1 ALA A 35 -1.489 -4.652 -12.284 1.00 14.25 H new ATOM 0 HB2 ALA A 35 -2.191 -3.021 -12.169 1.00 14.25 H new ATOM 0 HB3 ALA A 35 -0.438 -3.221 -12.404 1.00 14.25 H new ATOM 537 N SER A 36 -0.167 -5.848 -9.779 1.00 20.11 N ATOM 538 CA SER A 36 0.887 -6.825 -9.410 1.00 2.12 C ATOM 539 C SER A 36 1.985 -6.889 -10.505 1.00 21.44 C ATOM 540 O SER A 36 1.820 -7.550 -11.538 1.00 23.43 O ATOM 541 CB SER A 36 0.274 -8.229 -9.160 1.00 61.22 C ATOM 542 OG SER A 36 1.262 -9.174 -8.760 1.00 54.53 O ATOM 0 H SER A 36 -1.099 -6.258 -9.842 1.00 20.11 H new ATOM 0 HA SER A 36 1.352 -6.489 -8.483 1.00 2.12 H new ATOM 0 HB2 SER A 36 -0.494 -8.158 -8.390 1.00 61.22 H new ATOM 0 HB3 SER A 36 -0.217 -8.578 -10.068 1.00 61.22 H new ATOM 0 HG SER A 36 0.839 -10.045 -8.610 1.00 54.53 H new ATOM 548 N GLN A 37 3.088 -6.150 -10.271 1.00 63.01 N ATOM 549 CA GLN A 37 4.164 -5.945 -11.262 1.00 61.32 C ATOM 550 C GLN A 37 5.558 -6.095 -10.598 1.00 4.41 C ATOM 551 O GLN A 37 6.166 -5.102 -10.160 1.00 10.30 O ATOM 552 CB GLN A 37 3.987 -4.544 -11.936 1.00 12.10 C ATOM 553 CG GLN A 37 4.942 -4.239 -13.110 1.00 11.15 C ATOM 554 CD GLN A 37 4.846 -5.257 -14.252 1.00 2.20 C ATOM 555 OE1 GLN A 37 5.595 -6.232 -14.308 1.00 63.21 O ATOM 556 NE2 GLN A 37 3.907 -5.057 -15.157 1.00 51.21 N ATOM 0 H GLN A 37 3.258 -5.676 -9.384 1.00 63.01 H new ATOM 0 HA GLN A 37 4.098 -6.710 -12.036 1.00 61.32 H new ATOM 0 HB2 GLN A 37 2.961 -4.462 -12.296 1.00 12.10 H new ATOM 0 HB3 GLN A 37 4.121 -3.776 -11.174 1.00 12.10 H new ATOM 0 HG2 GLN A 37 4.721 -3.245 -13.499 1.00 11.15 H new ATOM 0 HG3 GLN A 37 5.967 -4.216 -12.739 1.00 11.15 H new ATOM 0 HE21 GLN A 37 3.299 -4.241 -15.089 1.00 51.21 H new ATOM 0 HE22 GLN A 37 3.790 -5.718 -15.925 1.00 51.21 H new ATOM 565 N GLY A 38 6.017 -7.363 -10.496 1.00 44.00 N ATOM 566 CA GLY A 38 7.345 -7.715 -9.951 1.00 61.12 C ATOM 567 C GLY A 38 7.584 -7.246 -8.507 1.00 54.21 C ATOM 568 O GLY A 38 7.318 -7.979 -7.547 1.00 43.32 O ATOM 0 H GLY A 38 5.473 -8.174 -10.791 1.00 44.00 H new ATOM 0 HA2 GLY A 38 7.466 -8.797 -9.993 1.00 61.12 H new ATOM 0 HA3 GLY A 38 8.113 -7.283 -10.592 1.00 61.12 H new ATOM 572 N ARG A 39 8.097 -6.007 -8.377 1.00 53.54 N ATOM 573 CA ARG A 39 8.297 -5.319 -7.080 1.00 32.24 C ATOM 574 C ARG A 39 6.952 -5.129 -6.340 1.00 61.41 C ATOM 575 O ARG A 39 6.858 -5.354 -5.128 1.00 0.02 O ATOM 576 CB ARG A 39 8.969 -3.943 -7.332 1.00 33.21 C ATOM 577 CG ARG A 39 10.347 -4.024 -8.034 1.00 11.23 C ATOM 578 CD ARG A 39 10.848 -2.652 -8.526 1.00 63.14 C ATOM 579 NE ARG A 39 9.925 -2.062 -9.523 1.00 72.33 N ATOM 580 CZ ARG A 39 10.027 -2.187 -10.836 1.00 51.40 C ATOM 581 NH1 ARG A 39 11.013 -2.835 -11.384 1.00 52.22 N ATOM 582 NH2 ARG A 39 9.127 -1.661 -11.600 1.00 11.51 N ATOM 0 H ARG A 39 8.389 -5.446 -9.178 1.00 53.54 H new ATOM 0 HA ARG A 39 8.941 -5.933 -6.450 1.00 32.24 H new ATOM 0 HB2 ARG A 39 8.301 -3.332 -7.939 1.00 33.21 H new ATOM 0 HB3 ARG A 39 9.091 -3.431 -6.377 1.00 33.21 H new ATOM 0 HG2 ARG A 39 11.077 -4.446 -7.344 1.00 11.23 H new ATOM 0 HG3 ARG A 39 10.278 -4.706 -8.882 1.00 11.23 H new ATOM 0 HD2 ARG A 39 10.950 -1.975 -7.678 1.00 63.14 H new ATOM 0 HD3 ARG A 39 11.839 -2.762 -8.967 1.00 63.14 H new ATOM 0 HE ARG A 39 9.143 -1.512 -9.166 1.00 72.33 H new ATOM 0 HH11 ARG A 39 11.731 -3.261 -10.798 1.00 52.22 H new ATOM 0 HH12 ARG A 39 11.068 -2.917 -12.399 1.00 52.22 H new ATOM 0 HH21 ARG A 39 8.343 -1.153 -11.190 1.00 11.51 H new ATOM 0 HH22 ARG A 39 9.200 -1.754 -12.613 1.00 11.51 H new ATOM 596 N VAL A 40 5.919 -4.712 -7.098 1.00 50.15 N ATOM 597 CA VAL A 40 4.549 -4.546 -6.581 1.00 14.24 C ATOM 598 C VAL A 40 3.861 -5.934 -6.468 1.00 63.22 C ATOM 599 O VAL A 40 3.502 -6.542 -7.473 1.00 52.12 O ATOM 600 CB VAL A 40 3.709 -3.576 -7.496 1.00 13.54 C ATOM 601 CG1 VAL A 40 2.277 -3.362 -6.949 1.00 64.32 C ATOM 602 CG2 VAL A 40 4.443 -2.225 -7.676 1.00 11.45 C ATOM 0 H VAL A 40 6.013 -4.481 -8.087 1.00 50.15 H new ATOM 0 HA VAL A 40 4.602 -4.095 -5.590 1.00 14.24 H new ATOM 0 HB VAL A 40 3.611 -4.049 -8.473 1.00 13.54 H new ATOM 0 HG11 VAL A 40 1.732 -2.687 -7.609 1.00 64.32 H new ATOM 0 HG12 VAL A 40 1.759 -4.320 -6.901 1.00 64.32 H new ATOM 0 HG13 VAL A 40 2.330 -2.928 -5.950 1.00 64.32 H new ATOM 0 HG21 VAL A 40 3.847 -1.569 -8.311 1.00 11.45 H new ATOM 0 HG22 VAL A 40 4.586 -1.756 -6.702 1.00 11.45 H new ATOM 0 HG23 VAL A 40 5.413 -2.397 -8.142 1.00 11.45 H new ATOM 612 N GLN A 41 3.738 -6.442 -5.230 1.00 31.00 N ATOM 613 CA GLN A 41 3.159 -7.774 -4.931 1.00 24.31 C ATOM 614 C GLN A 41 1.787 -7.620 -4.234 1.00 4.02 C ATOM 615 O GLN A 41 1.699 -7.029 -3.152 1.00 33.34 O ATOM 616 CB GLN A 41 4.146 -8.569 -4.029 1.00 30.25 C ATOM 617 CG GLN A 41 5.553 -8.751 -4.644 1.00 51.33 C ATOM 618 CD GLN A 41 6.539 -9.517 -3.754 1.00 43.45 C ATOM 619 OE1 GLN A 41 6.155 -10.369 -2.960 1.00 72.34 O ATOM 620 NE2 GLN A 41 7.825 -9.236 -3.899 1.00 75.33 N ATOM 0 H GLN A 41 4.039 -5.938 -4.396 1.00 31.00 H new ATOM 0 HA GLN A 41 3.004 -8.320 -5.861 1.00 24.31 H new ATOM 0 HB2 GLN A 41 4.243 -8.055 -3.073 1.00 30.25 H new ATOM 0 HB3 GLN A 41 3.722 -9.551 -3.821 1.00 30.25 H new ATOM 0 HG2 GLN A 41 5.456 -9.277 -5.594 1.00 51.33 H new ATOM 0 HG3 GLN A 41 5.970 -7.768 -4.865 1.00 51.33 H new ATOM 0 HE21 GLN A 41 8.119 -8.523 -4.566 1.00 75.33 H new ATOM 0 HE22 GLN A 41 8.521 -9.733 -3.343 1.00 75.33 H new ATOM 629 N LEU A 42 0.720 -8.148 -4.866 1.00 63.32 N ATOM 630 CA LEU A 42 -0.666 -8.070 -4.338 1.00 12.43 C ATOM 631 C LEU A 42 -1.173 -9.443 -3.834 1.00 45.44 C ATOM 632 O LEU A 42 -0.956 -10.472 -4.479 1.00 3.43 O ATOM 633 CB LEU A 42 -1.619 -7.500 -5.430 1.00 0.53 C ATOM 634 CG LEU A 42 -1.449 -5.977 -5.733 1.00 21.42 C ATOM 635 CD1 LEU A 42 -2.344 -5.517 -6.901 1.00 15.52 C ATOM 636 CD2 LEU A 42 -1.723 -5.135 -4.470 1.00 24.22 C ATOM 0 H LEU A 42 0.790 -8.641 -5.756 1.00 63.32 H new ATOM 0 HA LEU A 42 -0.659 -7.397 -3.480 1.00 12.43 H new ATOM 0 HB2 LEU A 42 -1.462 -8.057 -6.353 1.00 0.53 H new ATOM 0 HB3 LEU A 42 -2.649 -7.680 -5.121 1.00 0.53 H new ATOM 0 HG LEU A 42 -0.414 -5.821 -6.038 1.00 21.42 H new ATOM 0 HD11 LEU A 42 -2.194 -4.452 -7.077 1.00 15.52 H new ATOM 0 HD12 LEU A 42 -2.083 -6.074 -7.801 1.00 15.52 H new ATOM 0 HD13 LEU A 42 -3.389 -5.700 -6.652 1.00 15.52 H new ATOM 0 HD21 LEU A 42 -1.599 -4.078 -4.704 1.00 24.22 H new ATOM 0 HD22 LEU A 42 -2.742 -5.314 -4.128 1.00 24.22 H new ATOM 0 HD23 LEU A 42 -1.022 -5.418 -3.685 1.00 24.22 H new ATOM 648 N GLU A 43 -1.850 -9.422 -2.670 1.00 44.15 N ATOM 649 CA GLU A 43 -2.496 -10.606 -2.051 1.00 40.23 C ATOM 650 C GLU A 43 -3.926 -10.232 -1.599 1.00 61.15 C ATOM 651 O GLU A 43 -4.109 -9.557 -0.581 1.00 74.20 O ATOM 652 CB GLU A 43 -1.655 -11.112 -0.840 1.00 3.11 C ATOM 653 CG GLU A 43 -2.211 -12.353 -0.098 1.00 11.33 C ATOM 654 CD GLU A 43 -2.341 -13.600 -0.991 1.00 44.43 C ATOM 655 OE1 GLU A 43 -1.301 -14.161 -1.402 1.00 60.00 O ATOM 656 OE2 GLU A 43 -3.480 -14.033 -1.287 1.00 24.11 O ATOM 0 H GLU A 43 -1.968 -8.571 -2.121 1.00 44.15 H new ATOM 0 HA GLU A 43 -2.552 -11.410 -2.785 1.00 40.23 H new ATOM 0 HB2 GLU A 43 -0.650 -11.344 -1.193 1.00 3.11 H new ATOM 0 HB3 GLU A 43 -1.561 -10.297 -0.123 1.00 3.11 H new ATOM 0 HG2 GLU A 43 -1.558 -12.586 0.743 1.00 11.33 H new ATOM 0 HG3 GLU A 43 -3.189 -12.110 0.316 1.00 11.33 H new ATOM 663 N GLN A 44 -4.933 -10.646 -2.385 1.00 52.23 N ATOM 664 CA GLN A 44 -6.355 -10.344 -2.099 1.00 42.42 C ATOM 665 C GLN A 44 -7.079 -11.568 -1.479 1.00 12.35 C ATOM 666 O GLN A 44 -7.411 -12.541 -2.171 1.00 2.42 O ATOM 667 CB GLN A 44 -7.079 -9.838 -3.389 1.00 31.40 C ATOM 668 CG GLN A 44 -6.921 -10.737 -4.639 1.00 62.41 C ATOM 669 CD GLN A 44 -7.681 -10.226 -5.872 1.00 65.22 C ATOM 670 OE1 GLN A 44 -7.896 -9.027 -6.040 1.00 24.33 O ATOM 671 NE2 GLN A 44 -8.064 -11.128 -6.757 1.00 31.14 N ATOM 0 H GLN A 44 -4.792 -11.196 -3.232 1.00 52.23 H new ATOM 0 HA GLN A 44 -6.391 -9.544 -1.360 1.00 42.42 H new ATOM 0 HB2 GLN A 44 -8.142 -9.733 -3.171 1.00 31.40 H new ATOM 0 HB3 GLN A 44 -6.703 -8.843 -3.629 1.00 31.40 H new ATOM 0 HG2 GLN A 44 -5.862 -10.818 -4.885 1.00 62.41 H new ATOM 0 HG3 GLN A 44 -7.271 -11.741 -4.399 1.00 62.41 H new ATOM 0 HE21 GLN A 44 -7.873 -12.116 -6.593 1.00 31.14 H new ATOM 0 HE22 GLN A 44 -8.551 -10.836 -7.605 1.00 31.14 H new ATOM 680 N ALA A 45 -7.310 -11.512 -0.156 1.00 24.22 N ATOM 681 CA ALA A 45 -7.984 -12.591 0.606 1.00 74.32 C ATOM 682 C ALA A 45 -9.157 -12.010 1.441 1.00 75.24 C ATOM 683 O ALA A 45 -9.046 -11.826 2.658 1.00 74.22 O ATOM 684 CB ALA A 45 -6.946 -13.326 1.486 1.00 54.41 C ATOM 0 H ALA A 45 -7.036 -10.717 0.422 1.00 24.22 H new ATOM 0 HA ALA A 45 -8.414 -13.319 -0.082 1.00 74.32 H new ATOM 0 HB1 ALA A 45 -7.441 -14.119 2.046 1.00 54.41 H new ATOM 0 HB2 ALA A 45 -6.172 -13.758 0.852 1.00 54.41 H new ATOM 0 HB3 ALA A 45 -6.493 -12.619 2.181 1.00 54.41 H new ATOM 690 N GLY A 46 -10.275 -11.696 0.749 1.00 64.31 N ATOM 691 CA GLY A 46 -11.448 -11.052 1.379 1.00 2.24 C ATOM 692 C GLY A 46 -11.186 -9.589 1.768 1.00 24.33 C ATOM 693 O GLY A 46 -10.925 -8.750 0.893 1.00 41.32 O ATOM 0 H GLY A 46 -10.389 -11.879 -0.248 1.00 64.31 H new ATOM 0 HA2 GLY A 46 -12.293 -11.095 0.692 1.00 2.24 H new ATOM 0 HA3 GLY A 46 -11.732 -11.615 2.268 1.00 2.24 H new ATOM 697 N ALA A 47 -11.251 -9.288 3.081 1.00 52.44 N ATOM 698 CA ALA A 47 -10.894 -7.955 3.635 1.00 41.43 C ATOM 699 C ALA A 47 -9.368 -7.855 3.915 1.00 63.14 C ATOM 700 O ALA A 47 -8.809 -6.753 4.000 1.00 45.54 O ATOM 701 CB ALA A 47 -11.707 -7.685 4.914 1.00 54.24 C ATOM 0 H ALA A 47 -11.551 -9.957 3.790 1.00 52.44 H new ATOM 0 HA ALA A 47 -11.141 -7.194 2.895 1.00 41.43 H new ATOM 0 HB1 ALA A 47 -11.441 -6.707 5.315 1.00 54.24 H new ATOM 0 HB2 ALA A 47 -12.771 -7.703 4.679 1.00 54.24 H new ATOM 0 HB3 ALA A 47 -11.486 -8.453 5.655 1.00 54.24 H new ATOM 707 N ARG A 48 -8.709 -9.027 4.073 1.00 55.11 N ATOM 708 CA ARG A 48 -7.240 -9.130 4.231 1.00 54.11 C ATOM 709 C ARG A 48 -6.537 -8.849 2.880 1.00 3.13 C ATOM 710 O ARG A 48 -6.366 -9.747 2.045 1.00 40.14 O ATOM 711 CB ARG A 48 -6.849 -10.534 4.780 1.00 20.24 C ATOM 712 CG ARG A 48 -5.324 -10.796 4.926 1.00 54.03 C ATOM 713 CD ARG A 48 -5.022 -12.244 5.370 1.00 21.14 C ATOM 714 NE ARG A 48 -3.571 -12.537 5.413 1.00 51.25 N ATOM 715 CZ ARG A 48 -3.021 -13.720 5.192 1.00 72.52 C ATOM 716 NH1 ARG A 48 -3.740 -14.746 4.841 1.00 42.30 N ATOM 717 NH2 ARG A 48 -1.741 -13.862 5.312 1.00 73.51 N ATOM 0 H ARG A 48 -9.183 -9.930 4.094 1.00 55.11 H new ATOM 0 HA ARG A 48 -6.910 -8.382 4.952 1.00 54.11 H new ATOM 0 HB2 ARG A 48 -7.317 -10.667 5.755 1.00 20.24 H new ATOM 0 HB3 ARG A 48 -7.268 -11.293 4.119 1.00 20.24 H new ATOM 0 HG2 ARG A 48 -4.830 -10.599 3.974 1.00 54.03 H new ATOM 0 HG3 ARG A 48 -4.905 -10.100 5.653 1.00 54.03 H new ATOM 0 HD2 ARG A 48 -5.452 -12.414 6.357 1.00 21.14 H new ATOM 0 HD3 ARG A 48 -5.509 -12.939 4.686 1.00 21.14 H new ATOM 0 HE ARG A 48 -2.944 -11.763 5.631 1.00 51.25 H new ATOM 0 HH11 ARG A 48 -4.749 -14.648 4.731 1.00 42.30 H new ATOM 0 HH12 ARG A 48 -3.294 -15.649 4.676 1.00 42.30 H new ATOM 0 HH21 ARG A 48 -1.162 -13.065 5.576 1.00 73.51 H new ATOM 0 HH22 ARG A 48 -1.311 -14.771 5.143 1.00 73.51 H new ATOM 731 N GLN A 49 -6.202 -7.576 2.654 1.00 4.05 N ATOM 732 CA GLN A 49 -5.469 -7.124 1.454 1.00 21.11 C ATOM 733 C GLN A 49 -3.995 -6.861 1.804 1.00 14.00 C ATOM 734 O GLN A 49 -3.700 -6.344 2.876 1.00 14.24 O ATOM 735 CB GLN A 49 -6.136 -5.841 0.901 1.00 34.23 C ATOM 736 CG GLN A 49 -7.593 -6.041 0.435 1.00 54.51 C ATOM 737 CD GLN A 49 -7.731 -6.936 -0.804 1.00 0.45 C ATOM 738 OE1 GLN A 49 -6.857 -6.968 -1.666 1.00 0.32 O ATOM 739 NE2 GLN A 49 -8.828 -7.672 -0.902 1.00 24.00 N ATOM 0 H GLN A 49 -6.430 -6.820 3.299 1.00 4.05 H new ATOM 0 HA GLN A 49 -5.504 -7.900 0.690 1.00 21.11 H new ATOM 0 HB2 GLN A 49 -6.115 -5.072 1.673 1.00 34.23 H new ATOM 0 HB3 GLN A 49 -5.546 -5.469 0.064 1.00 34.23 H new ATOM 0 HG2 GLN A 49 -8.169 -6.476 1.252 1.00 54.51 H new ATOM 0 HG3 GLN A 49 -8.032 -5.067 0.219 1.00 54.51 H new ATOM 0 HE21 GLN A 49 -9.539 -7.627 -0.172 1.00 24.00 H new ATOM 0 HE22 GLN A 49 -8.962 -8.284 -1.707 1.00 24.00 H new ATOM 748 N VAL A 50 -3.066 -7.256 0.921 1.00 12.44 N ATOM 749 CA VAL A 50 -1.622 -6.983 1.107 1.00 54.35 C ATOM 750 C VAL A 50 -1.022 -6.341 -0.160 1.00 53.30 C ATOM 751 O VAL A 50 -1.160 -6.872 -1.263 1.00 3.13 O ATOM 752 CB VAL A 50 -0.804 -8.273 1.505 1.00 2.11 C ATOM 753 CG1 VAL A 50 0.712 -7.968 1.657 1.00 10.13 C ATOM 754 CG2 VAL A 50 -1.354 -8.917 2.802 1.00 23.12 C ATOM 0 H VAL A 50 -3.284 -7.768 0.066 1.00 12.44 H new ATOM 0 HA VAL A 50 -1.541 -6.283 1.939 1.00 54.35 H new ATOM 0 HB VAL A 50 -0.926 -8.986 0.690 1.00 2.11 H new ATOM 0 HG11 VAL A 50 1.241 -8.881 1.931 1.00 10.13 H new ATOM 0 HG12 VAL A 50 1.104 -7.592 0.712 1.00 10.13 H new ATOM 0 HG13 VAL A 50 0.856 -7.218 2.434 1.00 10.13 H new ATOM 0 HG21 VAL A 50 -0.767 -9.802 3.046 1.00 23.12 H new ATOM 0 HG22 VAL A 50 -1.287 -8.200 3.621 1.00 23.12 H new ATOM 0 HG23 VAL A 50 -2.396 -9.202 2.653 1.00 23.12 H new ATOM 764 N LEU A 51 -0.392 -5.171 0.021 1.00 42.40 N ATOM 765 CA LEU A 51 0.423 -4.499 -1.015 1.00 75.11 C ATOM 766 C LEU A 51 1.877 -4.412 -0.518 1.00 15.31 C ATOM 767 O LEU A 51 2.146 -3.853 0.548 1.00 71.22 O ATOM 768 CB LEU A 51 -0.180 -3.092 -1.338 1.00 13.23 C ATOM 769 CG LEU A 51 0.551 -2.151 -2.370 1.00 32.53 C ATOM 770 CD1 LEU A 51 1.722 -1.376 -1.736 1.00 53.45 C ATOM 771 CD2 LEU A 51 1.009 -2.923 -3.616 1.00 51.10 C ATOM 0 H LEU A 51 -0.431 -4.655 0.900 1.00 42.40 H new ATOM 0 HA LEU A 51 0.413 -5.070 -1.944 1.00 75.11 H new ATOM 0 HB2 LEU A 51 -1.196 -3.248 -1.701 1.00 13.23 H new ATOM 0 HB3 LEU A 51 -0.258 -2.547 -0.397 1.00 13.23 H new ATOM 0 HG LEU A 51 -0.185 -1.412 -2.686 1.00 32.53 H new ATOM 0 HD11 LEU A 51 2.190 -0.743 -2.490 1.00 53.45 H new ATOM 0 HD12 LEU A 51 1.349 -0.755 -0.922 1.00 53.45 H new ATOM 0 HD13 LEU A 51 2.457 -2.081 -1.347 1.00 53.45 H new ATOM 0 HD21 LEU A 51 1.508 -2.241 -4.304 1.00 51.10 H new ATOM 0 HD22 LEU A 51 1.701 -3.712 -3.321 1.00 51.10 H new ATOM 0 HD23 LEU A 51 0.143 -3.365 -4.109 1.00 51.10 H new ATOM 783 N ARG A 52 2.802 -4.969 -1.300 1.00 41.22 N ATOM 784 CA ARG A 52 4.246 -4.918 -1.014 1.00 71.23 C ATOM 785 C ARG A 52 4.984 -4.203 -2.160 1.00 35.40 C ATOM 786 O ARG A 52 4.700 -4.453 -3.324 1.00 14.32 O ATOM 787 CB ARG A 52 4.813 -6.353 -0.837 1.00 74.31 C ATOM 788 CG ARG A 52 4.085 -7.207 0.235 1.00 2.25 C ATOM 789 CD ARG A 52 4.769 -8.578 0.509 1.00 14.43 C ATOM 790 NE ARG A 52 5.484 -8.633 1.804 1.00 73.25 N ATOM 791 CZ ARG A 52 6.647 -8.081 2.083 1.00 52.44 C ATOM 792 NH1 ARG A 52 7.281 -7.345 1.230 1.00 65.43 N ATOM 793 NH2 ARG A 52 7.158 -8.259 3.247 1.00 71.44 N ATOM 0 H ARG A 52 2.574 -5.473 -2.157 1.00 41.22 H new ATOM 0 HA ARG A 52 4.398 -4.363 -0.088 1.00 71.23 H new ATOM 0 HB2 ARG A 52 4.759 -6.872 -1.794 1.00 74.31 H new ATOM 0 HB3 ARG A 52 5.868 -6.283 -0.572 1.00 74.31 H new ATOM 0 HG2 ARG A 52 4.036 -6.642 1.166 1.00 2.25 H new ATOM 0 HG3 ARG A 52 3.058 -7.381 -0.087 1.00 2.25 H new ATOM 0 HD2 ARG A 52 4.013 -9.363 0.487 1.00 14.43 H new ATOM 0 HD3 ARG A 52 5.473 -8.791 -0.295 1.00 14.43 H new ATOM 0 HE ARG A 52 5.030 -9.151 2.557 1.00 73.25 H new ATOM 0 HH11 ARG A 52 6.882 -7.176 0.307 1.00 65.43 H new ATOM 0 HH12 ARG A 52 8.180 -6.933 1.480 1.00 65.43 H new ATOM 0 HH21 ARG A 52 6.664 -8.821 3.940 1.00 71.44 H new ATOM 0 HH22 ARG A 52 8.058 -7.838 3.479 1.00 71.44 H new ATOM 807 N VAL A 53 5.908 -3.285 -1.832 1.00 14.20 N ATOM 808 CA VAL A 53 6.818 -2.670 -2.829 1.00 0.14 C ATOM 809 C VAL A 53 8.275 -3.057 -2.490 1.00 40.14 C ATOM 810 O VAL A 53 8.898 -2.486 -1.587 1.00 4.21 O ATOM 811 CB VAL A 53 6.652 -1.107 -2.901 1.00 0.31 C ATOM 812 CG1 VAL A 53 7.597 -0.476 -3.962 1.00 63.43 C ATOM 813 CG2 VAL A 53 5.174 -0.710 -3.167 1.00 3.00 C ATOM 0 H VAL A 53 6.050 -2.947 -0.880 1.00 14.20 H new ATOM 0 HA VAL A 53 6.557 -3.053 -3.816 1.00 0.14 H new ATOM 0 HB VAL A 53 6.939 -0.707 -1.928 1.00 0.31 H new ATOM 0 HG11 VAL A 53 7.452 0.604 -3.981 1.00 63.43 H new ATOM 0 HG12 VAL A 53 8.633 -0.699 -3.705 1.00 63.43 H new ATOM 0 HG13 VAL A 53 7.369 -0.890 -4.944 1.00 63.43 H new ATOM 0 HG21 VAL A 53 5.091 0.376 -3.211 1.00 3.00 H new ATOM 0 HG22 VAL A 53 4.847 -1.138 -4.115 1.00 3.00 H new ATOM 0 HG23 VAL A 53 4.545 -1.089 -2.362 1.00 3.00 H new ATOM 823 N GLN A 54 8.781 -4.082 -3.192 1.00 34.31 N ATOM 824 CA GLN A 54 10.135 -4.627 -2.975 1.00 42.41 C ATOM 825 C GLN A 54 11.208 -3.703 -3.602 1.00 41.33 C ATOM 826 O GLN A 54 11.244 -3.533 -4.824 1.00 63.32 O ATOM 827 CB GLN A 54 10.213 -6.063 -3.565 1.00 33.41 C ATOM 828 CG GLN A 54 11.537 -6.801 -3.295 1.00 14.52 C ATOM 829 CD GLN A 54 11.588 -8.187 -3.942 1.00 31.34 C ATOM 830 OE1 GLN A 54 12.036 -8.335 -5.070 1.00 55.23 O ATOM 831 NE2 GLN A 54 11.106 -9.201 -3.248 1.00 61.43 N ATOM 0 H GLN A 54 8.263 -4.560 -3.929 1.00 34.31 H new ATOM 0 HA GLN A 54 10.336 -4.675 -1.905 1.00 42.41 H new ATOM 0 HB2 GLN A 54 9.394 -6.654 -3.155 1.00 33.41 H new ATOM 0 HB3 GLN A 54 10.058 -6.007 -4.642 1.00 33.41 H new ATOM 0 HG2 GLN A 54 12.365 -6.200 -3.670 1.00 14.52 H new ATOM 0 HG3 GLN A 54 11.678 -6.902 -2.219 1.00 14.52 H new ATOM 0 HE21 GLN A 54 10.739 -9.048 -2.309 1.00 61.43 H new ATOM 0 HE22 GLN A 54 11.101 -10.138 -3.651 1.00 61.43 H new ATOM 840 N GLY A 55 12.068 -3.113 -2.758 1.00 34.32 N ATOM 841 CA GLY A 55 13.111 -2.180 -3.218 1.00 21.25 C ATOM 842 C GLY A 55 12.713 -0.708 -3.060 1.00 75.21 C ATOM 843 O GLY A 55 12.783 0.076 -4.017 1.00 31.25 O ATOM 0 H GLY A 55 12.062 -3.266 -1.749 1.00 34.32 H new ATOM 0 HA2 GLY A 55 14.028 -2.364 -2.658 1.00 21.25 H new ATOM 0 HA3 GLY A 55 13.332 -2.380 -4.266 1.00 21.25 H new ATOM 847 N ALA A 56 12.303 -0.342 -1.835 1.00 72.10 N ATOM 848 CA ALA A 56 11.942 1.051 -1.470 1.00 22.23 C ATOM 849 C ALA A 56 13.201 1.955 -1.324 1.00 45.53 C ATOM 850 O ALA A 56 14.310 1.449 -1.166 1.00 31.11 O ATOM 851 CB ALA A 56 11.134 1.047 -0.159 1.00 61.41 C ATOM 0 H ALA A 56 12.210 -1.001 -1.062 1.00 72.10 H new ATOM 0 HA ALA A 56 11.335 1.466 -2.275 1.00 22.23 H new ATOM 0 HB1 ALA A 56 10.869 2.070 0.108 1.00 61.41 H new ATOM 0 HB2 ALA A 56 10.225 0.460 -0.293 1.00 61.41 H new ATOM 0 HB3 ALA A 56 11.735 0.608 0.637 1.00 61.41 H new ATOM 857 N ARG A 57 13.009 3.294 -1.390 1.00 22.31 N ATOM 858 CA ARG A 57 14.097 4.283 -1.145 1.00 22.34 C ATOM 859 C ARG A 57 13.533 5.715 -0.967 1.00 22.44 C ATOM 860 O ARG A 57 13.817 6.389 0.030 1.00 73.33 O ATOM 861 CB ARG A 57 15.171 4.283 -2.274 1.00 4.51 C ATOM 862 CG ARG A 57 16.392 5.187 -1.974 1.00 2.23 C ATOM 863 CD ARG A 57 17.363 5.340 -3.156 1.00 54.33 C ATOM 864 NE ARG A 57 17.959 4.061 -3.574 1.00 72.10 N ATOM 865 CZ ARG A 57 18.959 3.926 -4.422 1.00 50.34 C ATOM 866 NH1 ARG A 57 19.567 4.957 -4.927 1.00 73.21 N ATOM 867 NH2 ARG A 57 19.359 2.743 -4.742 1.00 71.31 N ATOM 0 H ARG A 57 12.109 3.720 -1.611 1.00 22.31 H new ATOM 0 HA ARG A 57 14.581 3.971 -0.219 1.00 22.34 H new ATOM 0 HB2 ARG A 57 15.517 3.262 -2.434 1.00 4.51 H new ATOM 0 HB3 ARG A 57 14.707 4.611 -3.204 1.00 4.51 H new ATOM 0 HG2 ARG A 57 16.036 6.174 -1.679 1.00 2.23 H new ATOM 0 HG3 ARG A 57 16.934 4.776 -1.122 1.00 2.23 H new ATOM 0 HD2 ARG A 57 16.834 5.782 -4.000 1.00 54.33 H new ATOM 0 HD3 ARG A 57 18.158 6.033 -2.880 1.00 54.33 H new ATOM 0 HE ARG A 57 17.566 3.209 -3.175 1.00 72.10 H new ATOM 0 HH11 ARG A 57 19.273 5.899 -4.669 1.00 73.21 H new ATOM 0 HH12 ARG A 57 20.338 4.824 -5.581 1.00 73.21 H new ATOM 0 HH21 ARG A 57 18.903 1.924 -4.340 1.00 71.31 H new ATOM 0 HH22 ARG A 57 20.132 2.626 -5.397 1.00 71.31 H new ATOM 881 N SER A 58 12.759 6.186 -1.962 1.00 31.02 N ATOM 882 CA SER A 58 12.123 7.533 -1.923 1.00 24.10 C ATOM 883 C SER A 58 10.766 7.536 -2.658 1.00 2.13 C ATOM 884 O SER A 58 9.764 8.039 -2.130 1.00 0.03 O ATOM 885 CB SER A 58 13.063 8.603 -2.539 1.00 74.22 C ATOM 886 OG SER A 58 12.488 9.906 -2.501 1.00 35.24 O ATOM 0 H SER A 58 12.553 5.658 -2.810 1.00 31.02 H new ATOM 0 HA SER A 58 11.945 7.780 -0.876 1.00 24.10 H new ATOM 0 HB2 SER A 58 14.009 8.609 -1.998 1.00 74.22 H new ATOM 0 HB3 SER A 58 13.288 8.336 -3.572 1.00 74.22 H new ATOM 0 HG SER A 58 13.111 10.550 -2.897 1.00 35.24 H new ATOM 892 N GLY A 59 10.741 6.960 -3.880 1.00 2.31 N ATOM 893 CA GLY A 59 9.512 6.894 -4.703 1.00 42.23 C ATOM 894 C GLY A 59 8.367 6.064 -4.089 1.00 13.41 C ATOM 895 O GLY A 59 7.218 6.171 -4.526 1.00 32.31 O ATOM 0 H GLY A 59 11.557 6.534 -4.319 1.00 2.31 H new ATOM 0 HA2 GLY A 59 9.153 7.908 -4.878 1.00 42.23 H new ATOM 0 HA3 GLY A 59 9.765 6.474 -5.676 1.00 42.23 H new ATOM 899 N ASP A 60 8.701 5.222 -3.097 1.00 21.35 N ATOM 900 CA ASP A 60 7.721 4.430 -2.316 1.00 40.34 C ATOM 901 C ASP A 60 6.895 5.318 -1.333 1.00 53.14 C ATOM 902 O ASP A 60 5.738 5.011 -1.031 1.00 51.53 O ATOM 903 CB ASP A 60 8.485 3.319 -1.552 1.00 72.02 C ATOM 904 CG ASP A 60 7.593 2.453 -0.641 1.00 13.14 C ATOM 905 OD1 ASP A 60 6.838 1.631 -1.164 1.00 34.15 O ATOM 906 OD2 ASP A 60 7.635 2.613 0.593 1.00 20.14 O ATOM 0 H ASP A 60 9.667 5.067 -2.808 1.00 21.35 H new ATOM 0 HA ASP A 60 7.001 3.985 -3.003 1.00 40.34 H new ATOM 0 HB2 ASP A 60 8.983 2.673 -2.275 1.00 72.02 H new ATOM 0 HB3 ASP A 60 9.265 3.780 -0.946 1.00 72.02 H new ATOM 911 N ALA A 61 7.484 6.442 -0.889 1.00 33.45 N ATOM 912 CA ALA A 61 6.880 7.324 0.131 1.00 42.32 C ATOM 913 C ALA A 61 5.694 8.122 -0.443 1.00 43.43 C ATOM 914 O ALA A 61 5.881 9.092 -1.190 1.00 44.41 O ATOM 915 CB ALA A 61 7.938 8.271 0.718 1.00 72.30 C ATOM 0 H ALA A 61 8.391 6.766 -1.225 1.00 33.45 H new ATOM 0 HA ALA A 61 6.495 6.692 0.931 1.00 42.32 H new ATOM 0 HB1 ALA A 61 7.476 8.913 1.467 1.00 72.30 H new ATOM 0 HB2 ALA A 61 8.733 7.686 1.182 1.00 72.30 H new ATOM 0 HB3 ALA A 61 8.357 8.886 -0.078 1.00 72.30 H new ATOM 921 N GLY A 62 4.478 7.690 -0.095 1.00 73.40 N ATOM 922 CA GLY A 62 3.262 8.336 -0.570 1.00 74.25 C ATOM 923 C GLY A 62 1.983 7.731 0.003 1.00 10.14 C ATOM 924 O GLY A 62 2.031 6.866 0.883 1.00 13.13 O ATOM 0 H GLY A 62 4.315 6.891 0.518 1.00 73.40 H new ATOM 0 HA2 GLY A 62 3.299 9.395 -0.314 1.00 74.25 H new ATOM 0 HA3 GLY A 62 3.228 8.272 -1.658 1.00 74.25 H new ATOM 928 N GLU A 63 0.831 8.196 -0.502 1.00 65.22 N ATOM 929 CA GLU A 63 -0.487 7.760 -0.013 1.00 31.22 C ATOM 930 C GLU A 63 -0.972 6.542 -0.819 1.00 13.04 C ATOM 931 O GLU A 63 -1.162 6.630 -2.035 1.00 51.22 O ATOM 932 CB GLU A 63 -1.541 8.898 -0.113 1.00 70.33 C ATOM 933 CG GLU A 63 -1.087 10.312 0.361 1.00 3.35 C ATOM 934 CD GLU A 63 -0.182 11.080 -0.634 1.00 72.21 C ATOM 935 OE1 GLU A 63 -0.235 10.798 -1.855 1.00 11.41 O ATOM 936 OE2 GLU A 63 0.566 11.985 -0.202 1.00 1.51 O ATOM 0 H GLU A 63 0.785 8.881 -1.256 1.00 65.22 H new ATOM 0 HA GLU A 63 -0.375 7.490 1.037 1.00 31.22 H new ATOM 0 HB2 GLU A 63 -1.863 8.974 -1.151 1.00 70.33 H new ATOM 0 HB3 GLU A 63 -2.414 8.607 0.471 1.00 70.33 H new ATOM 0 HG2 GLU A 63 -1.974 10.914 0.560 1.00 3.35 H new ATOM 0 HG3 GLU A 63 -0.554 10.208 1.306 1.00 3.35 H new ATOM 943 N TYR A 64 -1.141 5.411 -0.132 1.00 51.14 N ATOM 944 CA TYR A 64 -1.689 4.173 -0.711 1.00 52.51 C ATOM 945 C TYR A 64 -3.164 3.988 -0.297 1.00 33.34 C ATOM 946 O TYR A 64 -3.451 3.620 0.840 1.00 20.13 O ATOM 947 CB TYR A 64 -0.844 2.960 -0.255 1.00 25.55 C ATOM 948 CG TYR A 64 0.586 2.936 -0.816 1.00 72.35 C ATOM 949 CD1 TYR A 64 1.603 3.730 -0.275 1.00 70.05 C ATOM 950 CD2 TYR A 64 0.919 2.104 -1.886 1.00 45.11 C ATOM 951 CE1 TYR A 64 2.884 3.689 -0.782 1.00 54.10 C ATOM 952 CE2 TYR A 64 2.202 2.067 -2.390 1.00 73.32 C ATOM 953 CZ TYR A 64 3.178 2.852 -1.833 1.00 61.02 C ATOM 954 OH TYR A 64 4.451 2.816 -2.344 1.00 31.53 O ATOM 0 H TYR A 64 -0.900 5.323 0.855 1.00 51.14 H new ATOM 0 HA TYR A 64 -1.646 4.245 -1.798 1.00 52.51 H new ATOM 0 HB2 TYR A 64 -0.794 2.956 0.834 1.00 25.55 H new ATOM 0 HB3 TYR A 64 -1.354 2.044 -0.554 1.00 25.55 H new ATOM 0 HD1 TYR A 64 1.381 4.386 0.554 1.00 70.05 H new ATOM 0 HD2 TYR A 64 0.158 1.478 -2.327 1.00 45.11 H new ATOM 0 HE1 TYR A 64 3.655 4.313 -0.355 1.00 54.10 H new ATOM 0 HE2 TYR A 64 2.438 1.420 -3.222 1.00 73.32 H new ATOM 0 HH TYR A 64 5.060 3.290 -1.739 1.00 31.53 H new ATOM 964 N LEU A 65 -4.098 4.208 -1.228 1.00 64.42 N ATOM 965 CA LEU A 65 -5.541 4.135 -0.922 1.00 3.44 C ATOM 966 C LEU A 65 -6.072 2.713 -1.191 1.00 72.03 C ATOM 967 O LEU A 65 -6.262 2.312 -2.346 1.00 33.04 O ATOM 968 CB LEU A 65 -6.325 5.190 -1.751 1.00 1.52 C ATOM 969 CG LEU A 65 -7.882 5.166 -1.612 1.00 22.33 C ATOM 970 CD1 LEU A 65 -8.331 5.446 -0.165 1.00 62.23 C ATOM 971 CD2 LEU A 65 -8.536 6.142 -2.613 1.00 53.33 C ATOM 0 H LEU A 65 -3.887 4.438 -2.199 1.00 64.42 H new ATOM 0 HA LEU A 65 -5.689 4.359 0.134 1.00 3.44 H new ATOM 0 HB2 LEU A 65 -5.972 6.181 -1.465 1.00 1.52 H new ATOM 0 HB3 LEU A 65 -6.074 5.053 -2.803 1.00 1.52 H new ATOM 0 HG LEU A 65 -8.223 4.160 -1.857 1.00 22.33 H new ATOM 0 HD11 LEU A 65 -9.419 5.421 -0.110 1.00 62.23 H new ATOM 0 HD12 LEU A 65 -7.917 4.687 0.498 1.00 62.23 H new ATOM 0 HD13 LEU A 65 -7.975 6.429 0.143 1.00 62.23 H new ATOM 0 HD21 LEU A 65 -9.619 6.109 -2.499 1.00 53.33 H new ATOM 0 HD22 LEU A 65 -8.181 7.154 -2.419 1.00 53.33 H new ATOM 0 HD23 LEU A 65 -8.270 5.853 -3.630 1.00 53.33 H new ATOM 983 N CYS A 66 -6.255 1.936 -0.107 1.00 73.23 N ATOM 984 CA CYS A 66 -6.939 0.632 -0.169 1.00 64.25 C ATOM 985 C CYS A 66 -8.464 0.872 -0.204 1.00 3.23 C ATOM 986 O CYS A 66 -9.129 0.931 0.833 1.00 42.33 O ATOM 987 CB CYS A 66 -6.529 -0.251 1.037 1.00 1.41 C ATOM 988 SG CYS A 66 -7.117 -1.957 0.959 1.00 23.44 S ATOM 0 H CYS A 66 -5.936 2.192 0.828 1.00 73.23 H new ATOM 0 HA CYS A 66 -6.645 0.099 -1.073 1.00 64.25 H new ATOM 0 HB2 CYS A 66 -5.442 -0.259 1.111 1.00 1.41 H new ATOM 0 HB3 CYS A 66 -6.907 0.208 1.951 1.00 1.41 H new ATOM 0 HG CYS A 66 -6.112 -2.753 0.744 1.00 23.44 H new ATOM 994 N ASP A 67 -8.990 1.060 -1.422 1.00 63.21 N ATOM 995 CA ASP A 67 -10.394 1.442 -1.658 1.00 23.21 C ATOM 996 C ASP A 67 -11.342 0.241 -1.459 1.00 21.30 C ATOM 997 O ASP A 67 -11.126 -0.812 -2.028 1.00 31.12 O ATOM 998 CB ASP A 67 -10.517 2.018 -3.084 1.00 65.53 C ATOM 999 CG ASP A 67 -11.925 2.523 -3.441 1.00 12.44 C ATOM 1000 OD1 ASP A 67 -12.752 1.734 -3.943 1.00 42.22 O ATOM 1001 OD2 ASP A 67 -12.210 3.721 -3.227 1.00 2.33 O ATOM 0 H ASP A 67 -8.450 0.951 -2.281 1.00 63.21 H new ATOM 0 HA ASP A 67 -10.689 2.200 -0.933 1.00 23.21 H new ATOM 0 HB2 ASP A 67 -9.810 2.840 -3.194 1.00 65.53 H new ATOM 0 HB3 ASP A 67 -10.226 1.250 -3.800 1.00 65.53 H new ATOM 1006 N ALA A 68 -12.410 0.421 -0.682 1.00 41.00 N ATOM 1007 CA ALA A 68 -13.357 -0.672 -0.353 1.00 34.12 C ATOM 1008 C ALA A 68 -14.809 -0.240 -0.667 1.00 61.33 C ATOM 1009 O ALA A 68 -15.141 0.928 -0.443 1.00 43.34 O ATOM 1010 CB ALA A 68 -13.191 -1.064 1.122 1.00 44.11 C ATOM 0 H ALA A 68 -12.652 1.318 -0.260 1.00 41.00 H new ATOM 0 HA ALA A 68 -13.137 -1.545 -0.968 1.00 34.12 H new ATOM 0 HB1 ALA A 68 -13.886 -1.867 1.365 1.00 44.11 H new ATOM 0 HB2 ALA A 68 -12.170 -1.403 1.296 1.00 44.11 H new ATOM 0 HB3 ALA A 68 -13.399 -0.200 1.754 1.00 44.11 H new ATOM 1016 N PRO A 69 -15.705 -1.185 -1.165 1.00 22.25 N ATOM 1017 CA PRO A 69 -17.104 -0.865 -1.634 1.00 73.44 C ATOM 1018 C PRO A 69 -17.929 0.048 -0.678 1.00 65.22 C ATOM 1019 O PRO A 69 -18.801 0.813 -1.119 1.00 2.31 O ATOM 1020 CB PRO A 69 -17.756 -2.265 -1.755 1.00 22.32 C ATOM 1021 CG PRO A 69 -16.614 -3.181 -2.079 1.00 44.11 C ATOM 1022 CD PRO A 69 -15.422 -2.647 -1.311 1.00 55.04 C ATOM 0 HA PRO A 69 -17.078 -0.287 -2.558 1.00 73.44 H new ATOM 0 HB2 PRO A 69 -18.248 -2.556 -0.827 1.00 22.32 H new ATOM 0 HB3 PRO A 69 -18.515 -2.284 -2.537 1.00 22.32 H new ATOM 0 HG2 PRO A 69 -16.840 -4.206 -1.786 1.00 44.11 H new ATOM 0 HG3 PRO A 69 -16.415 -3.193 -3.151 1.00 44.11 H new ATOM 0 HD2 PRO A 69 -15.324 -3.133 -0.340 1.00 55.04 H new ATOM 0 HD3 PRO A 69 -14.491 -2.821 -1.850 1.00 55.04 H new ATOM 1030 N GLN A 70 -17.631 -0.045 0.631 1.00 70.40 N ATOM 1031 CA GLN A 70 -18.223 0.823 1.668 1.00 74.11 C ATOM 1032 C GLN A 70 -17.231 0.959 2.860 1.00 4.32 C ATOM 1033 O GLN A 70 -17.471 0.431 3.956 1.00 61.23 O ATOM 1034 CB GLN A 70 -19.621 0.278 2.111 1.00 73.22 C ATOM 1035 CG GLN A 70 -20.389 1.161 3.124 1.00 42.44 C ATOM 1036 CD GLN A 70 -20.719 2.572 2.617 1.00 23.34 C ATOM 1037 OE1 GLN A 70 -20.929 2.795 1.426 1.00 22.33 O ATOM 1038 NE2 GLN A 70 -20.770 3.534 3.516 1.00 2.23 N ATOM 0 H GLN A 70 -16.970 -0.727 1.002 1.00 70.40 H new ATOM 0 HA GLN A 70 -18.393 1.820 1.261 1.00 74.11 H new ATOM 0 HB2 GLN A 70 -20.240 0.151 1.223 1.00 73.22 H new ATOM 0 HB3 GLN A 70 -19.484 -0.711 2.548 1.00 73.22 H new ATOM 0 HG2 GLN A 70 -21.318 0.659 3.393 1.00 42.44 H new ATOM 0 HG3 GLN A 70 -19.797 1.245 4.035 1.00 42.44 H new ATOM 0 HE21 GLN A 70 -20.592 3.324 4.498 1.00 2.23 H new ATOM 0 HE22 GLN A 70 -20.987 4.489 3.230 1.00 2.23 H new ATOM 1047 N ASP A 71 -16.081 1.623 2.591 1.00 12.12 N ATOM 1048 CA ASP A 71 -15.070 1.978 3.618 1.00 31.24 C ATOM 1049 C ASP A 71 -13.967 2.899 3.011 1.00 71.13 C ATOM 1050 O ASP A 71 -14.019 4.119 3.179 1.00 12.22 O ATOM 1051 CB ASP A 71 -14.430 0.715 4.277 1.00 45.33 C ATOM 1052 CG ASP A 71 -13.449 1.074 5.412 1.00 65.41 C ATOM 1053 OD1 ASP A 71 -13.910 1.396 6.529 1.00 54.42 O ATOM 1054 OD2 ASP A 71 -12.217 1.064 5.191 1.00 21.32 O ATOM 0 H ASP A 71 -15.827 1.929 1.652 1.00 12.12 H new ATOM 0 HA ASP A 71 -15.590 2.524 4.405 1.00 31.24 H new ATOM 0 HB2 ASP A 71 -15.220 0.076 4.672 1.00 45.33 H new ATOM 0 HB3 ASP A 71 -13.904 0.139 3.516 1.00 45.33 H new ATOM 1059 N SER A 72 -12.991 2.277 2.292 1.00 25.12 N ATOM 1060 CA SER A 72 -11.787 2.951 1.716 1.00 0.42 C ATOM 1061 C SER A 72 -10.832 3.503 2.811 1.00 10.25 C ATOM 1062 O SER A 72 -11.118 4.521 3.451 1.00 23.42 O ATOM 1063 CB SER A 72 -12.166 4.058 0.701 1.00 71.11 C ATOM 1064 OG SER A 72 -12.968 3.533 -0.347 1.00 53.12 O ATOM 0 H SER A 72 -13.017 1.277 2.092 1.00 25.12 H new ATOM 0 HA SER A 72 -11.243 2.178 1.173 1.00 0.42 H new ATOM 0 HB2 SER A 72 -12.705 4.856 1.212 1.00 71.11 H new ATOM 0 HB3 SER A 72 -11.261 4.500 0.285 1.00 71.11 H new ATOM 0 HG SER A 72 -12.567 3.761 -1.212 1.00 53.12 H new ATOM 1070 N ARG A 73 -9.688 2.817 2.999 1.00 72.41 N ATOM 1071 CA ARG A 73 -8.681 3.161 4.027 1.00 63.15 C ATOM 1072 C ARG A 73 -7.421 3.785 3.380 1.00 62.34 C ATOM 1073 O ARG A 73 -6.914 3.275 2.374 1.00 41.42 O ATOM 1074 CB ARG A 73 -8.299 1.880 4.817 1.00 20.10 C ATOM 1075 CG ARG A 73 -7.621 2.109 6.192 1.00 42.43 C ATOM 1076 CD ARG A 73 -8.621 2.501 7.311 1.00 61.44 C ATOM 1077 NE ARG A 73 -9.113 3.900 7.225 1.00 3.42 N ATOM 1078 CZ ARG A 73 -10.353 4.280 6.933 1.00 14.20 C ATOM 1079 NH1 ARG A 73 -11.233 3.451 6.457 1.00 4.15 N ATOM 1080 NH2 ARG A 73 -10.692 5.517 7.086 1.00 11.22 N ATOM 0 H ARG A 73 -9.433 2.003 2.439 1.00 72.41 H new ATOM 0 HA ARG A 73 -9.108 3.898 4.707 1.00 63.15 H new ATOM 0 HB2 ARG A 73 -9.202 1.290 4.973 1.00 20.10 H new ATOM 0 HB3 ARG A 73 -7.630 1.281 4.199 1.00 20.10 H new ATOM 0 HG2 ARG A 73 -7.095 1.201 6.486 1.00 42.43 H new ATOM 0 HG3 ARG A 73 -6.871 2.894 6.093 1.00 42.43 H new ATOM 0 HD2 ARG A 73 -9.475 1.824 7.273 1.00 61.44 H new ATOM 0 HD3 ARG A 73 -8.141 2.355 8.279 1.00 61.44 H new ATOM 0 HE ARG A 73 -8.435 4.640 7.407 1.00 3.42 H new ATOM 0 HH11 ARG A 73 -10.981 2.476 6.297 1.00 4.15 H new ATOM 0 HH12 ARG A 73 -12.176 3.775 6.244 1.00 4.15 H new ATOM 0 HH21 ARG A 73 -10.010 6.194 7.429 1.00 11.22 H new ATOM 0 HH22 ARG A 73 -11.641 5.817 6.864 1.00 11.22 H new ATOM 1094 N ILE A 74 -6.909 4.882 3.969 1.00 0.31 N ATOM 1095 CA ILE A 74 -5.744 5.625 3.421 1.00 34.32 C ATOM 1096 C ILE A 74 -4.446 5.259 4.189 1.00 63.32 C ATOM 1097 O ILE A 74 -4.341 5.498 5.393 1.00 42.12 O ATOM 1098 CB ILE A 74 -5.986 7.180 3.500 1.00 21.44 C ATOM 1099 CG1 ILE A 74 -7.312 7.580 2.773 1.00 30.23 C ATOM 1100 CG2 ILE A 74 -4.778 7.965 2.935 1.00 71.20 C ATOM 1101 CD1 ILE A 74 -7.697 9.052 2.895 1.00 34.33 C ATOM 0 H ILE A 74 -7.283 5.280 4.830 1.00 0.31 H new ATOM 0 HA ILE A 74 -5.629 5.338 2.376 1.00 34.32 H new ATOM 0 HB ILE A 74 -6.089 7.448 4.552 1.00 21.44 H new ATOM 0 HG12 ILE A 74 -7.218 7.331 1.716 1.00 30.23 H new ATOM 0 HG13 ILE A 74 -8.125 6.973 3.172 1.00 30.23 H new ATOM 0 HG21 ILE A 74 -4.975 9.035 3.003 1.00 71.20 H new ATOM 0 HG22 ILE A 74 -3.885 7.723 3.511 1.00 71.20 H new ATOM 0 HG23 ILE A 74 -4.622 7.691 1.892 1.00 71.20 H new ATOM 0 HD11 ILE A 74 -8.629 9.230 2.359 1.00 34.33 H new ATOM 0 HD12 ILE A 74 -7.829 9.308 3.946 1.00 34.33 H new ATOM 0 HD13 ILE A 74 -6.908 9.671 2.467 1.00 34.33 H new ATOM 1113 N PHE A 75 -3.453 4.704 3.479 1.00 24.50 N ATOM 1114 CA PHE A 75 -2.164 4.287 4.074 1.00 72.34 C ATOM 1115 C PHE A 75 -1.077 5.339 3.803 1.00 62.42 C ATOM 1116 O PHE A 75 -0.522 5.410 2.706 1.00 32.12 O ATOM 1117 CB PHE A 75 -1.735 2.892 3.536 1.00 62.05 C ATOM 1118 CG PHE A 75 -2.542 1.738 4.109 1.00 11.14 C ATOM 1119 CD1 PHE A 75 -3.877 1.549 3.753 1.00 2.24 C ATOM 1120 CD2 PHE A 75 -1.975 0.859 5.034 1.00 12.01 C ATOM 1121 CE1 PHE A 75 -4.611 0.520 4.297 1.00 25.12 C ATOM 1122 CE2 PHE A 75 -2.713 -0.168 5.576 1.00 31.52 C ATOM 1123 CZ PHE A 75 -4.029 -0.333 5.211 1.00 61.42 C ATOM 0 H PHE A 75 -3.516 4.529 2.476 1.00 24.50 H new ATOM 0 HA PHE A 75 -2.295 4.206 5.153 1.00 72.34 H new ATOM 0 HB2 PHE A 75 -1.831 2.886 2.450 1.00 62.05 H new ATOM 0 HB3 PHE A 75 -0.681 2.734 3.763 1.00 62.05 H new ATOM 0 HD1 PHE A 75 -4.340 2.218 3.042 1.00 2.24 H new ATOM 0 HD2 PHE A 75 -0.944 0.987 5.328 1.00 12.01 H new ATOM 0 HE1 PHE A 75 -5.642 0.380 4.008 1.00 25.12 H new ATOM 0 HE2 PHE A 75 -2.260 -0.843 6.287 1.00 31.52 H new ATOM 0 HZ PHE A 75 -4.610 -1.135 5.643 1.00 61.42 H new ATOM 1133 N LEU A 76 -0.781 6.155 4.822 1.00 33.11 N ATOM 1134 CA LEU A 76 0.251 7.197 4.739 1.00 63.12 C ATOM 1135 C LEU A 76 1.640 6.562 4.983 1.00 60.05 C ATOM 1136 O LEU A 76 2.059 6.374 6.132 1.00 73.43 O ATOM 1137 CB LEU A 76 -0.062 8.323 5.768 1.00 2.12 C ATOM 1138 CG LEU A 76 -1.474 8.983 5.645 1.00 15.00 C ATOM 1139 CD1 LEU A 76 -1.706 10.038 6.749 1.00 14.24 C ATOM 1140 CD2 LEU A 76 -1.691 9.588 4.239 1.00 54.30 C ATOM 0 H LEU A 76 -1.250 6.112 5.727 1.00 33.11 H new ATOM 0 HA LEU A 76 0.257 7.647 3.746 1.00 63.12 H new ATOM 0 HB2 LEU A 76 0.039 7.910 6.772 1.00 2.12 H new ATOM 0 HB3 LEU A 76 0.693 9.103 5.666 1.00 2.12 H new ATOM 0 HG LEU A 76 -2.214 8.195 5.785 1.00 15.00 H new ATOM 0 HD11 LEU A 76 -2.697 10.475 6.632 1.00 14.24 H new ATOM 0 HD12 LEU A 76 -1.632 9.563 7.727 1.00 14.24 H new ATOM 0 HD13 LEU A 76 -0.952 10.821 6.668 1.00 14.24 H new ATOM 0 HD21 LEU A 76 -2.682 10.039 4.186 1.00 54.30 H new ATOM 0 HD22 LEU A 76 -0.935 10.350 4.050 1.00 54.30 H new ATOM 0 HD23 LEU A 76 -1.609 8.802 3.488 1.00 54.30 H new ATOM 1152 N VAL A 77 2.318 6.186 3.886 1.00 24.24 N ATOM 1153 CA VAL A 77 3.630 5.500 3.926 1.00 4.50 C ATOM 1154 C VAL A 77 4.789 6.496 3.714 1.00 32.34 C ATOM 1155 O VAL A 77 4.851 7.179 2.690 1.00 42.12 O ATOM 1156 CB VAL A 77 3.688 4.357 2.851 1.00 12.23 C ATOM 1157 CG1 VAL A 77 5.094 3.713 2.762 1.00 50.33 C ATOM 1158 CG2 VAL A 77 2.592 3.293 3.133 1.00 22.23 C ATOM 0 H VAL A 77 1.974 6.348 2.940 1.00 24.24 H new ATOM 0 HA VAL A 77 3.744 5.056 4.915 1.00 4.50 H new ATOM 0 HB VAL A 77 3.489 4.806 1.878 1.00 12.23 H new ATOM 0 HG11 VAL A 77 5.087 2.928 2.006 1.00 50.33 H new ATOM 0 HG12 VAL A 77 5.826 4.473 2.489 1.00 50.33 H new ATOM 0 HG13 VAL A 77 5.360 3.284 3.728 1.00 50.33 H new ATOM 0 HG21 VAL A 77 2.645 2.507 2.379 1.00 22.23 H new ATOM 0 HG22 VAL A 77 2.751 2.860 4.121 1.00 22.23 H new ATOM 0 HG23 VAL A 77 1.610 3.764 3.097 1.00 22.23 H new ATOM 1168 N SER A 78 5.702 6.575 4.698 1.00 73.41 N ATOM 1169 CA SER A 78 6.879 7.477 4.651 1.00 14.21 C ATOM 1170 C SER A 78 8.202 6.684 4.769 1.00 61.42 C ATOM 1171 O SER A 78 8.467 6.048 5.794 1.00 62.42 O ATOM 1172 CB SER A 78 6.778 8.535 5.781 1.00 35.51 C ATOM 1173 OG SER A 78 6.687 7.928 7.067 1.00 12.23 O ATOM 0 H SER A 78 5.650 6.018 5.551 1.00 73.41 H new ATOM 0 HA SER A 78 6.883 7.983 3.686 1.00 14.21 H new ATOM 0 HB2 SER A 78 7.651 9.187 5.748 1.00 35.51 H new ATOM 0 HB3 SER A 78 5.904 9.164 5.613 1.00 35.51 H new ATOM 0 HG SER A 78 7.414 8.257 7.636 1.00 12.23 H new ATOM 1179 N VAL A 79 9.035 6.733 3.709 1.00 21.15 N ATOM 1180 CA VAL A 79 10.356 6.073 3.700 1.00 4.34 C ATOM 1181 C VAL A 79 11.391 6.995 4.373 1.00 64.15 C ATOM 1182 O VAL A 79 11.744 8.049 3.823 1.00 23.42 O ATOM 1183 CB VAL A 79 10.844 5.730 2.247 1.00 73.40 C ATOM 1184 CG1 VAL A 79 12.128 4.877 2.284 1.00 61.10 C ATOM 1185 CG2 VAL A 79 9.742 5.029 1.434 1.00 62.44 C ATOM 0 H VAL A 79 8.814 7.226 2.844 1.00 21.15 H new ATOM 0 HA VAL A 79 10.256 5.135 4.247 1.00 4.34 H new ATOM 0 HB VAL A 79 11.075 6.670 1.747 1.00 73.40 H new ATOM 0 HG11 VAL A 79 12.445 4.653 1.266 1.00 61.10 H new ATOM 0 HG12 VAL A 79 12.916 5.428 2.797 1.00 61.10 H new ATOM 0 HG13 VAL A 79 11.931 3.946 2.816 1.00 61.10 H new ATOM 0 HG21 VAL A 79 10.114 4.806 0.434 1.00 62.44 H new ATOM 0 HG22 VAL A 79 9.458 4.101 1.931 1.00 62.44 H new ATOM 0 HG23 VAL A 79 8.873 5.682 1.361 1.00 62.44 H new ATOM 1195 N GLU A 80 11.869 6.600 5.561 1.00 31.31 N ATOM 1196 CA GLU A 80 12.759 7.454 6.375 1.00 33.52 C ATOM 1197 C GLU A 80 13.712 6.632 7.274 1.00 30.31 C ATOM 1198 O GLU A 80 14.897 6.976 7.397 1.00 65.01 O ATOM 1199 CB GLU A 80 11.907 8.433 7.231 1.00 64.14 C ATOM 1200 CG GLU A 80 10.905 7.751 8.186 1.00 31.43 C ATOM 1201 CD GLU A 80 10.120 8.738 9.059 1.00 32.54 C ATOM 1202 OE1 GLU A 80 10.723 9.336 9.975 1.00 31.15 O ATOM 1203 OE2 GLU A 80 8.908 8.929 8.834 1.00 43.30 O ATOM 0 H GLU A 80 11.657 5.696 5.983 1.00 31.31 H new ATOM 0 HA GLU A 80 13.389 8.020 5.689 1.00 33.52 H new ATOM 0 HB2 GLU A 80 12.579 9.059 7.818 1.00 64.14 H new ATOM 0 HB3 GLU A 80 11.357 9.095 6.562 1.00 64.14 H new ATOM 0 HG2 GLU A 80 10.202 7.159 7.600 1.00 31.43 H new ATOM 0 HG3 GLU A 80 11.445 7.058 8.831 1.00 31.43 H new ATOM 1210 N GLU A 81 13.186 5.556 7.894 1.00 43.24 N ATOM 1211 CA GLU A 81 13.925 4.720 8.870 1.00 21.23 C ATOM 1212 C GLU A 81 15.088 3.962 8.171 1.00 34.23 C ATOM 1213 O GLU A 81 14.818 3.021 7.443 1.00 61.05 O ATOM 1214 CB GLU A 81 12.928 3.713 9.529 1.00 73.22 C ATOM 1215 CG GLU A 81 13.546 2.752 10.567 1.00 30.43 C ATOM 1216 CD GLU A 81 14.136 3.465 11.799 1.00 61.02 C ATOM 1217 OE1 GLU A 81 13.374 3.786 12.734 1.00 53.25 O ATOM 1218 OE2 GLU A 81 15.365 3.708 11.846 1.00 71.10 O ATOM 0 H GLU A 81 12.230 5.238 7.732 1.00 43.24 H new ATOM 0 HA GLU A 81 14.360 5.357 9.640 1.00 21.23 H new ATOM 0 HB2 GLU A 81 12.132 4.280 10.012 1.00 73.22 H new ATOM 0 HB3 GLU A 81 12.464 3.120 8.741 1.00 73.22 H new ATOM 0 HG2 GLU A 81 12.782 2.048 10.897 1.00 30.43 H new ATOM 0 HG3 GLU A 81 14.331 2.168 10.086 1.00 30.43 H new ATOM 1225 N PRO A 82 16.392 4.364 8.366 1.00 33.45 N ATOM 1226 CA PRO A 82 17.547 3.787 7.608 1.00 2.52 C ATOM 1227 C PRO A 82 17.706 2.235 7.783 1.00 51.05 C ATOM 1228 O PRO A 82 18.153 1.785 8.864 1.00 39.08 O ATOM 1229 CB PRO A 82 18.779 4.567 8.160 1.00 31.52 C ATOM 1230 CG PRO A 82 18.202 5.796 8.802 1.00 74.41 C ATOM 1231 CD PRO A 82 16.853 5.384 9.340 1.00 11.03 C ATOM 1232 OXT PRO A 82 17.396 1.473 6.835 1.00 39.08 O ATOM 0 HA PRO A 82 17.414 3.901 6.532 1.00 2.52 H new ATOM 0 HB2 PRO A 82 19.335 3.968 8.882 1.00 31.52 H new ATOM 0 HB3 PRO A 82 19.472 4.827 7.360 1.00 31.52 H new ATOM 0 HG2 PRO A 82 18.848 6.159 9.602 1.00 74.41 H new ATOM 0 HG3 PRO A 82 18.104 6.606 8.079 1.00 74.41 H new ATOM 0 HD2 PRO A 82 16.930 4.973 10.346 1.00 11.03 H new ATOM 0 HD3 PRO A 82 16.166 6.229 9.393 1.00 11.03 H new TER 1240 PRO A 82