USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 656 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 81 THR OG1 : rot 180:sc=-0.00734 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.425 (180deg=-1.77!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -140:sc= -1.13 USER MOD Single : A 12 SER OG : rot 90:sc= 0.612 USER MOD Single : A 14 LYS NZ :NH3+ -136:sc= -0.176 (180deg=-0.504) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -91:sc= 0.206 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 26 SER OG : rot 150:sc= -0.585 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.063 X(o=0.063,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -3.23! C(o=-3.2!,f=-1.8!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 170:sc= -2.08! USER MOD Single : A 88 CYS SG : rot 180:sc= 0.00187 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.62 USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= -0.0327 (180deg=-0.241) USER MOD Single : A 100 CYS SG : rot 29:sc= 0.0826 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.473 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.814 -1.782 -3.264 1.00 20.45 N ATOM 2 CA MET A 1 0.219 -1.572 -4.271 1.00 41.30 C ATOM 3 C MET A 1 -0.367 -0.930 -5.525 1.00 2.35 C ATOM 4 O MET A 1 -0.472 -1.555 -6.580 1.00 34.02 O ATOM 5 CB MET A 1 0.890 -2.899 -4.630 1.00 1.14 C ATOM 6 CG MET A 1 -0.093 -3.992 -5.018 1.00 1.45 C ATOM 7 SD MET A 1 -0.538 -5.051 -3.628 1.00 1.21 S ATOM 8 CE MET A 1 -0.562 -6.657 -4.421 1.00 14.25 C ATOM 0 H1 MET A 1 -0.570 -1.256 -2.401 1.00 20.45 H new ATOM 0 H2 MET A 1 -1.728 -1.445 -3.628 1.00 20.45 H new ATOM 0 H3 MET A 1 -0.883 -2.796 -3.043 1.00 20.45 H new ATOM 0 HA MET A 1 0.966 -0.897 -3.853 1.00 41.30 H new ATOM 0 HB2 MET A 1 1.583 -2.735 -5.456 1.00 1.14 H new ATOM 0 HB3 MET A 1 1.482 -3.239 -3.780 1.00 1.14 H new ATOM 0 HG2 MET A 1 -0.995 -3.536 -5.426 1.00 1.45 H new ATOM 0 HG3 MET A 1 0.342 -4.602 -5.810 1.00 1.45 H new ATOM 0 HE1 MET A 1 -0.822 -7.421 -3.688 1.00 14.25 H new ATOM 0 HE2 MET A 1 -1.301 -6.656 -5.222 1.00 14.25 H new ATOM 0 HE3 MET A 1 0.423 -6.873 -4.836 1.00 14.25 H new ATOM 18 N PRO A 2 -0.758 0.348 -5.409 1.00 2.13 N ATOM 19 CA PRO A 2 -1.340 1.102 -6.523 1.00 44.12 C ATOM 20 C PRO A 2 -0.316 1.411 -7.611 1.00 13.34 C ATOM 21 O PRO A 2 0.784 0.857 -7.618 1.00 73.11 O ATOM 22 CB PRO A 2 -1.825 2.395 -5.862 1.00 65.31 C ATOM 23 CG PRO A 2 -0.963 2.550 -4.656 1.00 74.34 C ATOM 24 CD PRO A 2 -0.662 1.155 -4.181 1.00 4.40 C ATOM 0 HA PRO A 2 -2.129 0.543 -7.026 1.00 44.12 H new ATOM 0 HB2 PRO A 2 -1.722 3.246 -6.535 1.00 65.31 H new ATOM 0 HB3 PRO A 2 -2.878 2.330 -5.590 1.00 65.31 H new ATOM 0 HG2 PRO A 2 -0.046 3.086 -4.898 1.00 74.34 H new ATOM 0 HG3 PRO A 2 -1.473 3.124 -3.883 1.00 74.34 H new ATOM 0 HD2 PRO A 2 0.329 1.088 -3.733 1.00 4.40 H new ATOM 0 HD3 PRO A 2 -1.376 0.825 -3.426 1.00 4.40 H new ATOM 32 N LEU A 3 -0.684 2.299 -8.527 1.00 53.43 N ATOM 33 CA LEU A 3 0.202 2.683 -9.620 1.00 45.32 C ATOM 34 C LEU A 3 0.267 4.201 -9.762 1.00 23.34 C ATOM 35 O LEU A 3 -0.701 4.903 -9.470 1.00 75.23 O ATOM 36 CB LEU A 3 -0.273 2.057 -10.933 1.00 5.25 C ATOM 37 CG LEU A 3 0.225 2.726 -12.214 1.00 40.32 C ATOM 38 CD1 LEU A 3 1.724 2.526 -12.374 1.00 20.41 C ATOM 39 CD2 LEU A 3 -0.520 2.181 -13.424 1.00 42.42 C ATOM 0 H LEU A 3 -1.590 2.767 -8.535 1.00 53.43 H new ATOM 0 HA LEU A 3 1.202 2.315 -9.390 1.00 45.32 H new ATOM 0 HB2 LEU A 3 0.038 1.012 -10.948 1.00 5.25 H new ATOM 0 HB3 LEU A 3 -1.363 2.065 -10.943 1.00 5.25 H new ATOM 0 HG LEU A 3 0.028 3.796 -12.142 1.00 40.32 H new ATOM 0 HD11 LEU A 3 2.060 3.009 -13.292 1.00 20.41 H new ATOM 0 HD12 LEU A 3 2.243 2.965 -11.522 1.00 20.41 H new ATOM 0 HD13 LEU A 3 1.946 1.460 -12.423 1.00 20.41 H new ATOM 0 HD21 LEU A 3 -0.153 2.668 -14.327 1.00 42.42 H new ATOM 0 HD22 LEU A 3 -0.355 1.106 -13.499 1.00 42.42 H new ATOM 0 HD23 LEU A 3 -1.586 2.378 -13.314 1.00 42.42 H new ATOM 51 N ILE A 4 1.414 4.699 -10.212 1.00 55.31 N ATOM 52 CA ILE A 4 1.603 6.133 -10.395 1.00 72.13 C ATOM 53 C ILE A 4 1.848 6.472 -11.862 1.00 21.03 C ATOM 54 O ILE A 4 2.667 5.839 -12.529 1.00 30.11 O ATOM 55 CB ILE A 4 2.782 6.657 -9.555 1.00 0.03 C ATOM 56 CG1 ILE A 4 2.556 6.350 -8.073 1.00 3.33 C ATOM 57 CG2 ILE A 4 2.963 8.152 -9.770 1.00 52.12 C ATOM 58 CD1 ILE A 4 1.235 6.863 -7.544 1.00 71.11 C ATOM 0 H ILE A 4 2.226 4.131 -10.456 1.00 55.31 H new ATOM 0 HA ILE A 4 0.686 6.618 -10.061 1.00 72.13 H new ATOM 0 HB ILE A 4 3.692 6.151 -9.877 1.00 0.03 H new ATOM 0 HG12 ILE A 4 2.604 5.272 -7.922 1.00 3.33 H new ATOM 0 HG13 ILE A 4 3.366 6.790 -7.492 1.00 3.33 H new ATOM 0 HG21 ILE A 4 3.800 8.507 -9.169 1.00 52.12 H new ATOM 0 HG22 ILE A 4 3.164 8.346 -10.824 1.00 52.12 H new ATOM 0 HG23 ILE A 4 2.055 8.675 -9.471 1.00 52.12 H new ATOM 0 HD11 ILE A 4 1.143 6.610 -6.488 1.00 71.11 H new ATOM 0 HD12 ILE A 4 1.191 7.946 -7.663 1.00 71.11 H new ATOM 0 HD13 ILE A 4 0.417 6.404 -8.100 1.00 71.11 H new ATOM 70 N THR A 5 1.134 7.477 -12.359 1.00 12.35 N ATOM 71 CA THR A 5 1.274 7.902 -13.746 1.00 32.04 C ATOM 72 C THR A 5 2.217 9.094 -13.863 1.00 62.53 C ATOM 73 O THR A 5 1.855 10.221 -13.527 1.00 35.13 O ATOM 74 CB THR A 5 -0.089 8.278 -14.358 1.00 64.12 C ATOM 75 OG1 THR A 5 -1.013 7.196 -14.197 1.00 52.44 O ATOM 76 CG2 THR A 5 0.056 8.613 -15.835 1.00 61.21 C ATOM 0 H THR A 5 0.452 8.012 -11.821 1.00 12.35 H new ATOM 0 HA THR A 5 1.690 7.058 -14.295 1.00 32.04 H new ATOM 0 HB THR A 5 -0.467 9.158 -13.837 1.00 64.12 H new ATOM 0 HG1 THR A 5 -1.877 7.443 -14.587 1.00 52.44 H new ATOM 0 HG21 THR A 5 -0.919 8.875 -16.246 1.00 61.21 H new ATOM 0 HG22 THR A 5 0.738 9.455 -15.952 1.00 61.21 H new ATOM 0 HG23 THR A 5 0.453 7.748 -16.367 1.00 61.21 H new ATOM 84 N PHE A 6 3.429 8.837 -14.344 1.00 5.34 N ATOM 85 CA PHE A 6 4.426 9.890 -14.506 1.00 32.35 C ATOM 86 C PHE A 6 4.397 10.453 -15.924 1.00 32.45 C ATOM 87 O PHE A 6 4.727 9.758 -16.885 1.00 74.12 O ATOM 88 CB PHE A 6 5.823 9.352 -14.187 1.00 15.45 C ATOM 89 CG PHE A 6 5.896 8.610 -12.883 1.00 10.22 C ATOM 90 CD1 PHE A 6 6.192 9.279 -11.706 1.00 22.43 C ATOM 91 CD2 PHE A 6 5.668 7.244 -12.834 1.00 42.41 C ATOM 92 CE1 PHE A 6 6.261 8.598 -10.505 1.00 22.20 C ATOM 93 CE2 PHE A 6 5.735 6.558 -11.636 1.00 43.31 C ATOM 94 CZ PHE A 6 6.031 7.236 -10.470 1.00 3.32 C ATOM 0 H PHE A 6 3.745 7.910 -14.628 1.00 5.34 H new ATOM 0 HA PHE A 6 4.186 10.694 -13.810 1.00 32.35 H new ATOM 0 HB2 PHE A 6 6.141 8.689 -14.992 1.00 15.45 H new ATOM 0 HB3 PHE A 6 6.527 10.184 -14.163 1.00 15.45 H new ATOM 0 HD1 PHE A 6 6.371 10.344 -11.727 1.00 22.43 H new ATOM 0 HD2 PHE A 6 5.435 6.709 -13.743 1.00 42.41 H new ATOM 0 HE1 PHE A 6 6.495 9.130 -9.595 1.00 22.20 H new ATOM 0 HE2 PHE A 6 5.556 5.493 -11.612 1.00 43.31 H new ATOM 0 HZ PHE A 6 6.083 6.703 -9.532 1.00 3.32 H new ATOM 104 N ILE A 7 4.000 11.715 -16.044 1.00 75.34 N ATOM 105 CA ILE A 7 3.928 12.371 -17.344 1.00 13.32 C ATOM 106 C ILE A 7 5.240 13.073 -17.678 1.00 55.14 C ATOM 107 O ILE A 7 5.883 13.656 -16.806 1.00 43.43 O ATOM 108 CB ILE A 7 2.782 13.399 -17.393 1.00 33.03 C ATOM 109 CG1 ILE A 7 1.503 12.798 -16.806 1.00 71.30 C ATOM 110 CG2 ILE A 7 2.548 13.864 -18.822 1.00 74.44 C ATOM 111 CD1 ILE A 7 1.304 13.114 -15.340 1.00 54.03 C ATOM 0 H ILE A 7 3.724 12.303 -15.258 1.00 75.34 H new ATOM 0 HA ILE A 7 3.737 11.591 -18.081 1.00 13.32 H new ATOM 0 HB ILE A 7 3.064 14.264 -16.792 1.00 33.03 H new ATOM 0 HG12 ILE A 7 0.646 13.168 -17.369 1.00 71.30 H new ATOM 0 HG13 ILE A 7 1.527 11.716 -16.936 1.00 71.30 H new ATOM 0 HG21 ILE A 7 1.735 14.590 -18.840 1.00 74.44 H new ATOM 0 HG22 ILE A 7 3.457 14.327 -19.207 1.00 74.44 H new ATOM 0 HG23 ILE A 7 2.284 13.009 -19.444 1.00 74.44 H new ATOM 0 HD11 ILE A 7 0.378 12.656 -14.992 1.00 54.03 H new ATOM 0 HD12 ILE A 7 2.142 12.720 -14.766 1.00 54.03 H new ATOM 0 HD13 ILE A 7 1.248 14.194 -15.205 1.00 54.03 H new ATOM 123 N SER A 8 5.629 13.014 -18.948 1.00 20.12 N ATOM 124 CA SER A 8 6.865 13.642 -19.398 1.00 45.22 C ATOM 125 C SER A 8 6.578 14.968 -20.096 1.00 42.03 C ATOM 126 O SER A 8 5.462 15.236 -20.540 1.00 75.02 O ATOM 127 CB SER A 8 7.622 12.708 -20.344 1.00 71.15 C ATOM 128 OG SER A 8 6.739 11.795 -20.973 1.00 62.21 O ATOM 0 H SER A 8 5.106 12.538 -19.683 1.00 20.12 H new ATOM 0 HA SER A 8 7.483 13.839 -18.522 1.00 45.22 H new ATOM 0 HB2 SER A 8 8.143 13.295 -21.100 1.00 71.15 H new ATOM 0 HB3 SER A 8 8.382 12.159 -19.788 1.00 71.15 H new ATOM 0 HG SER A 8 7.162 10.912 -21.023 1.00 62.21 H new ATOM 134 N PRO A 9 7.610 15.819 -20.196 1.00 62.13 N ATOM 135 CA PRO A 9 7.495 17.131 -20.839 1.00 52.15 C ATOM 136 C PRO A 9 7.311 17.022 -22.349 1.00 43.53 C ATOM 137 O PRO A 9 6.962 17.999 -23.014 1.00 25.44 O ATOM 138 CB PRO A 9 8.829 17.806 -20.510 1.00 53.01 C ATOM 139 CG PRO A 9 9.779 16.680 -20.292 1.00 23.03 C ATOM 140 CD PRO A 9 8.969 15.565 -19.690 1.00 4.24 C ATOM 0 HA PRO A 9 6.624 17.683 -20.486 1.00 52.15 H new ATOM 0 HB2 PRO A 9 9.159 18.450 -21.325 1.00 53.01 H new ATOM 0 HB3 PRO A 9 8.747 18.433 -19.622 1.00 53.01 H new ATOM 0 HG2 PRO A 9 10.236 16.367 -21.231 1.00 23.03 H new ATOM 0 HG3 PRO A 9 10.590 16.977 -19.626 1.00 23.03 H new ATOM 0 HD2 PRO A 9 9.337 14.587 -20.001 1.00 4.24 H new ATOM 0 HD3 PRO A 9 9.003 15.587 -18.601 1.00 4.24 H new ATOM 148 N ASP A 10 7.548 15.830 -22.885 1.00 53.10 N ATOM 149 CA ASP A 10 7.407 15.594 -24.317 1.00 73.31 C ATOM 150 C ASP A 10 5.987 15.152 -24.658 1.00 11.02 C ATOM 151 O ASP A 10 5.706 14.743 -25.784 1.00 3.52 O ATOM 152 CB ASP A 10 8.409 14.536 -24.782 1.00 73.31 C ATOM 153 CG ASP A 10 7.959 13.127 -24.449 1.00 70.33 C ATOM 154 OD1 ASP A 10 7.082 12.599 -25.165 1.00 64.54 O ATOM 155 OD2 ASP A 10 8.484 12.552 -23.473 1.00 62.33 O ATOM 0 H ASP A 10 7.839 15.012 -22.349 1.00 53.10 H new ATOM 0 HA ASP A 10 7.611 16.530 -24.836 1.00 73.31 H new ATOM 0 HB2 ASP A 10 8.552 14.624 -25.859 1.00 73.31 H new ATOM 0 HB3 ASP A 10 9.376 14.725 -24.316 1.00 73.31 H new ATOM 160 N GLY A 11 5.094 15.236 -23.676 1.00 4.23 N ATOM 161 CA GLY A 11 3.715 14.841 -23.891 1.00 72.31 C ATOM 162 C GLY A 11 3.480 13.373 -23.596 1.00 32.40 C ATOM 163 O GLY A 11 2.337 12.931 -23.480 1.00 13.12 O ATOM 0 H GLY A 11 5.302 15.571 -22.735 1.00 4.23 H new ATOM 0 HA2 GLY A 11 3.064 15.444 -23.258 1.00 72.31 H new ATOM 0 HA3 GLY A 11 3.437 15.050 -24.924 1.00 72.31 H new ATOM 167 N SER A 12 4.564 12.614 -23.476 1.00 24.40 N ATOM 168 CA SER A 12 4.471 11.185 -23.198 1.00 51.22 C ATOM 169 C SER A 12 3.983 10.940 -21.774 1.00 21.43 C ATOM 170 O SER A 12 3.715 11.881 -21.027 1.00 32.22 O ATOM 171 CB SER A 12 5.830 10.514 -23.407 1.00 75.50 C ATOM 172 OG SER A 12 5.973 10.056 -24.741 1.00 13.24 O ATOM 0 H SER A 12 5.518 12.964 -23.567 1.00 24.40 H new ATOM 0 HA SER A 12 3.750 10.751 -23.890 1.00 51.22 H new ATOM 0 HB2 SER A 12 6.627 11.220 -23.174 1.00 75.50 H new ATOM 0 HB3 SER A 12 5.935 9.676 -22.718 1.00 75.50 H new ATOM 0 HG SER A 12 6.367 10.766 -25.290 1.00 13.24 H new ATOM 178 N ARG A 13 3.871 9.668 -21.404 1.00 74.15 N ATOM 179 CA ARG A 13 3.414 9.297 -20.070 1.00 50.15 C ATOM 180 C ARG A 13 3.778 7.849 -19.754 1.00 42.50 C ATOM 181 O ARG A 13 3.449 6.935 -20.510 1.00 14.20 O ATOM 182 CB ARG A 13 1.901 9.491 -19.954 1.00 30.30 C ATOM 183 CG ARG A 13 1.149 9.206 -21.244 1.00 45.42 C ATOM 184 CD ARG A 13 -0.315 8.893 -20.979 1.00 24.45 C ATOM 185 NE ARG A 13 -0.534 7.469 -20.734 1.00 43.54 N ATOM 186 CZ ARG A 13 -0.477 6.543 -21.685 1.00 43.40 C ATOM 187 NH1 ARG A 13 -0.209 6.889 -22.937 1.00 4.14 N ATOM 188 NH2 ARG A 13 -0.688 5.268 -21.384 1.00 43.34 N ATOM 0 H ARG A 13 4.091 8.877 -22.010 1.00 74.15 H new ATOM 0 HA ARG A 13 3.913 9.945 -19.349 1.00 50.15 H new ATOM 0 HB2 ARG A 13 1.519 8.838 -19.169 1.00 30.30 H new ATOM 0 HB3 ARG A 13 1.697 10.516 -19.644 1.00 30.30 H new ATOM 0 HG2 ARG A 13 1.223 10.068 -21.908 1.00 45.42 H new ATOM 0 HG3 ARG A 13 1.614 8.366 -21.759 1.00 45.42 H new ATOM 0 HD2 ARG A 13 -0.658 9.466 -20.118 1.00 24.45 H new ATOM 0 HD3 ARG A 13 -0.914 9.211 -21.832 1.00 24.45 H new ATOM 0 HE ARG A 13 -0.742 7.170 -19.781 1.00 43.54 H new ATOM 0 HH11 ARG A 13 -0.046 7.868 -23.172 1.00 4.14 H new ATOM 0 HH12 ARG A 13 -0.166 6.176 -23.665 1.00 4.14 H new ATOM 0 HH21 ARG A 13 -0.894 4.998 -20.422 1.00 43.34 H new ATOM 0 HH22 ARG A 13 -0.644 4.558 -22.115 1.00 43.34 H new ATOM 202 N LYS A 14 4.461 7.648 -18.632 1.00 13.31 N ATOM 203 CA LYS A 14 4.870 6.313 -18.214 1.00 32.24 C ATOM 204 C LYS A 14 4.006 5.816 -17.058 1.00 45.23 C ATOM 205 O LYS A 14 3.468 6.610 -16.286 1.00 35.31 O ATOM 206 CB LYS A 14 6.343 6.315 -17.799 1.00 70.22 C ATOM 207 CG LYS A 14 7.202 7.269 -18.610 1.00 52.35 C ATOM 208 CD LYS A 14 7.042 7.032 -20.103 1.00 20.02 C ATOM 209 CE LYS A 14 7.149 5.554 -20.447 1.00 2.32 C ATOM 210 NZ LYS A 14 8.393 4.946 -19.899 1.00 2.11 N ATOM 0 H LYS A 14 4.743 8.394 -17.996 1.00 13.31 H new ATOM 0 HA LYS A 14 4.738 5.638 -19.060 1.00 32.24 H new ATOM 0 HB2 LYS A 14 6.414 6.582 -16.745 1.00 70.22 H new ATOM 0 HB3 LYS A 14 6.742 5.305 -17.900 1.00 70.22 H new ATOM 0 HG2 LYS A 14 6.929 8.297 -18.373 1.00 52.35 H new ATOM 0 HG3 LYS A 14 8.248 7.145 -18.331 1.00 52.35 H new ATOM 0 HD2 LYS A 14 6.076 7.414 -20.432 1.00 20.02 H new ATOM 0 HD3 LYS A 14 7.806 7.589 -20.645 1.00 20.02 H new ATOM 0 HE2 LYS A 14 6.282 5.025 -20.052 1.00 2.32 H new ATOM 0 HE3 LYS A 14 7.131 5.431 -21.530 1.00 2.32 H new ATOM 0 HZ1 LYS A 14 8.830 4.339 -20.622 1.00 2.11 H new ATOM 0 HZ2 LYS A 14 9.058 5.699 -19.630 1.00 2.11 H new ATOM 0 HZ3 LYS A 14 8.160 4.375 -19.062 1.00 2.11 H new ATOM 224 N THR A 15 3.880 4.498 -16.944 1.00 72.42 N ATOM 225 CA THR A 15 3.083 3.895 -15.883 1.00 54.41 C ATOM 226 C THR A 15 3.698 2.583 -15.410 1.00 51.34 C ATOM 227 O THR A 15 3.748 1.605 -16.157 1.00 12.32 O ATOM 228 CB THR A 15 1.637 3.634 -16.346 1.00 71.11 C ATOM 229 OG1 THR A 15 1.471 4.066 -17.701 1.00 71.53 O ATOM 230 CG2 THR A 15 0.643 4.359 -15.452 1.00 52.51 C ATOM 0 H THR A 15 4.320 3.827 -17.574 1.00 72.42 H new ATOM 0 HA THR A 15 3.070 4.605 -15.056 1.00 54.41 H new ATOM 0 HB THR A 15 1.446 2.563 -16.281 1.00 71.11 H new ATOM 0 HG1 THR A 15 0.550 3.895 -17.988 1.00 71.53 H new ATOM 0 HG21 THR A 15 -0.371 4.160 -15.799 1.00 52.51 H new ATOM 0 HG22 THR A 15 0.752 4.007 -14.426 1.00 52.51 H new ATOM 0 HG23 THR A 15 0.835 5.431 -15.489 1.00 52.51 H new ATOM 238 N TYR A 16 4.165 2.568 -14.167 1.00 14.51 N ATOM 239 CA TYR A 16 4.779 1.376 -13.595 1.00 74.11 C ATOM 240 C TYR A 16 4.541 1.309 -12.090 1.00 14.24 C ATOM 241 O TYR A 16 4.622 2.320 -11.392 1.00 64.34 O ATOM 242 CB TYR A 16 6.280 1.360 -13.886 1.00 41.15 C ATOM 243 CG TYR A 16 6.965 2.679 -13.608 1.00 30.14 C ATOM 244 CD1 TYR A 16 7.290 3.054 -12.310 1.00 1.32 C ATOM 245 CD2 TYR A 16 7.286 3.550 -14.641 1.00 60.02 C ATOM 246 CE1 TYR A 16 7.915 4.259 -12.050 1.00 23.51 C ATOM 247 CE2 TYR A 16 7.912 4.755 -14.391 1.00 5.41 C ATOM 248 CZ TYR A 16 8.225 5.105 -13.094 1.00 12.32 C ATOM 249 OH TYR A 16 8.848 6.306 -12.840 1.00 75.11 O ATOM 0 H TYR A 16 4.130 3.368 -13.536 1.00 14.51 H new ATOM 0 HA TYR A 16 4.317 0.504 -14.057 1.00 74.11 H new ATOM 0 HB2 TYR A 16 6.750 0.582 -13.284 1.00 41.15 H new ATOM 0 HB3 TYR A 16 6.436 1.092 -14.931 1.00 41.15 H new ATOM 0 HD1 TYR A 16 7.050 2.393 -11.491 1.00 1.32 H new ATOM 0 HD2 TYR A 16 7.042 3.280 -15.658 1.00 60.02 H new ATOM 0 HE1 TYR A 16 8.159 4.536 -11.035 1.00 23.51 H new ATOM 0 HE2 TYR A 16 8.155 5.420 -15.207 1.00 5.41 H new ATOM 0 HH TYR A 16 8.172 7.005 -12.714 1.00 75.11 H new ATOM 259 N GLU A 17 4.246 0.110 -11.596 1.00 41.32 N ATOM 260 CA GLU A 17 3.996 -0.089 -10.174 1.00 20.05 C ATOM 261 C GLU A 17 5.120 0.511 -9.334 1.00 63.11 C ATOM 262 O GLU A 17 6.267 0.070 -9.407 1.00 51.12 O ATOM 263 CB GLU A 17 3.852 -1.580 -9.862 1.00 64.33 C ATOM 264 CG GLU A 17 2.414 -2.024 -9.657 1.00 54.55 C ATOM 265 CD GLU A 17 2.306 -3.472 -9.222 1.00 13.13 C ATOM 266 OE1 GLU A 17 3.337 -4.046 -8.813 1.00 32.11 O ATOM 267 OE2 GLU A 17 1.191 -4.031 -9.290 1.00 24.14 O ATOM 0 H GLU A 17 4.175 -0.737 -12.160 1.00 41.32 H new ATOM 0 HA GLU A 17 3.066 0.419 -9.921 1.00 20.05 H new ATOM 0 HB2 GLU A 17 4.288 -2.157 -10.677 1.00 64.33 H new ATOM 0 HB3 GLU A 17 4.426 -1.812 -8.965 1.00 64.33 H new ATOM 0 HG2 GLU A 17 1.945 -1.387 -8.907 1.00 54.55 H new ATOM 0 HG3 GLU A 17 1.859 -1.885 -10.585 1.00 54.55 H new ATOM 274 N ALA A 18 4.782 1.520 -8.538 1.00 24.23 N ATOM 275 CA ALA A 18 5.762 2.180 -7.683 1.00 71.34 C ATOM 276 C ALA A 18 5.543 1.820 -6.218 1.00 12.12 C ATOM 277 O ALA A 18 4.514 1.248 -5.856 1.00 3.01 O ATOM 278 CB ALA A 18 5.698 3.688 -7.874 1.00 75.11 C ATOM 0 H ALA A 18 3.837 1.898 -8.467 1.00 24.23 H new ATOM 0 HA ALA A 18 6.753 1.830 -7.971 1.00 71.34 H new ATOM 0 HB1 ALA A 18 6.435 4.168 -7.230 1.00 75.11 H new ATOM 0 HB2 ALA A 18 5.912 3.932 -8.915 1.00 75.11 H new ATOM 0 HB3 ALA A 18 4.702 4.046 -7.615 1.00 75.11 H new ATOM 284 N TYR A 19 6.516 2.158 -5.379 1.00 14.31 N ATOM 285 CA TYR A 19 6.430 1.868 -3.953 1.00 21.05 C ATOM 286 C TYR A 19 6.325 3.155 -3.140 1.00 22.10 C ATOM 287 O TYR A 19 6.262 4.251 -3.697 1.00 62.13 O ATOM 288 CB TYR A 19 7.650 1.064 -3.500 1.00 44.13 C ATOM 289 CG TYR A 19 7.336 -0.376 -3.165 1.00 22.32 C ATOM 290 CD1 TYR A 19 6.885 -1.255 -4.142 1.00 72.01 C ATOM 291 CD2 TYR A 19 7.490 -0.858 -1.871 1.00 34.41 C ATOM 292 CE1 TYR A 19 6.596 -2.572 -3.840 1.00 52.22 C ATOM 293 CE2 TYR A 19 7.204 -2.174 -1.560 1.00 45.13 C ATOM 294 CZ TYR A 19 6.758 -3.027 -2.548 1.00 53.41 C ATOM 295 OH TYR A 19 6.471 -4.337 -2.242 1.00 62.34 O ATOM 0 H TYR A 19 7.373 2.633 -5.662 1.00 14.31 H new ATOM 0 HA TYR A 19 5.530 1.277 -3.782 1.00 21.05 H new ATOM 0 HB2 TYR A 19 8.404 1.089 -4.287 1.00 44.13 H new ATOM 0 HB3 TYR A 19 8.087 1.545 -2.625 1.00 44.13 H new ATOM 0 HD1 TYR A 19 6.758 -0.903 -5.155 1.00 72.01 H new ATOM 0 HD2 TYR A 19 7.839 -0.193 -1.095 1.00 34.41 H new ATOM 0 HE1 TYR A 19 6.245 -3.242 -4.611 1.00 52.22 H new ATOM 0 HE2 TYR A 19 7.329 -2.532 -0.549 1.00 45.13 H new ATOM 0 HH TYR A 19 6.640 -4.495 -1.290 1.00 62.34 H new ATOM 305 N ASP A 20 6.308 3.013 -1.819 1.00 72.13 N ATOM 306 CA ASP A 20 6.212 4.163 -0.928 1.00 4.12 C ATOM 307 C ASP A 20 7.599 4.694 -0.576 1.00 35.04 C ATOM 308 O ASP A 20 8.391 4.010 0.071 1.00 74.10 O ATOM 309 CB ASP A 20 5.458 3.785 0.348 1.00 50.41 C ATOM 310 CG ASP A 20 6.045 2.564 1.027 1.00 30.15 C ATOM 311 OD1 ASP A 20 5.666 1.435 0.651 1.00 55.13 O ATOM 312 OD2 ASP A 20 6.884 2.737 1.935 1.00 24.35 O ATOM 0 H ASP A 20 6.359 2.113 -1.342 1.00 72.13 H new ATOM 0 HA ASP A 20 5.662 4.949 -1.446 1.00 4.12 H new ATOM 0 HB2 ASP A 20 5.477 4.627 1.041 1.00 50.41 H new ATOM 0 HB3 ASP A 20 4.412 3.595 0.106 1.00 50.41 H new ATOM 317 N GLY A 21 7.885 5.919 -1.007 1.00 20.31 N ATOM 318 CA GLY A 21 9.176 6.520 -0.729 1.00 2.14 C ATOM 319 C GLY A 21 10.309 5.822 -1.454 1.00 43.02 C ATOM 320 O GLY A 21 11.481 6.063 -1.165 1.00 32.31 O ATOM 0 H GLY A 21 7.246 6.505 -1.543 1.00 20.31 H new ATOM 0 HA2 GLY A 21 9.155 7.570 -1.020 1.00 2.14 H new ATOM 0 HA3 GLY A 21 9.363 6.491 0.344 1.00 2.14 H new ATOM 324 N GLU A 22 9.960 4.954 -2.398 1.00 73.23 N ATOM 325 CA GLU A 22 10.958 4.217 -3.165 1.00 15.01 C ATOM 326 C GLU A 22 11.334 4.973 -4.436 1.00 71.21 C ATOM 327 O GLU A 22 10.501 5.181 -5.319 1.00 13.33 O ATOM 328 CB GLU A 22 10.432 2.825 -3.523 1.00 5.13 C ATOM 329 CG GLU A 22 11.409 1.998 -4.341 1.00 65.12 C ATOM 330 CD GLU A 22 10.856 0.634 -4.707 1.00 51.40 C ATOM 331 OE1 GLU A 22 10.722 -0.214 -3.800 1.00 44.21 O ATOM 332 OE2 GLU A 22 10.556 0.415 -5.899 1.00 45.43 O ATOM 0 H GLU A 22 8.994 4.744 -2.650 1.00 73.23 H new ATOM 0 HA GLU A 22 11.850 4.113 -2.547 1.00 15.01 H new ATOM 0 HB2 GLU A 22 10.194 2.288 -2.605 1.00 5.13 H new ATOM 0 HB3 GLU A 22 9.501 2.930 -4.081 1.00 5.13 H new ATOM 0 HG2 GLU A 22 11.663 2.539 -5.252 1.00 65.12 H new ATOM 0 HG3 GLU A 22 12.333 1.872 -3.777 1.00 65.12 H new ATOM 339 N THR A 23 12.596 5.382 -4.523 1.00 11.25 N ATOM 340 CA THR A 23 13.084 6.116 -5.683 1.00 55.13 C ATOM 341 C THR A 23 13.144 5.220 -6.915 1.00 25.32 C ATOM 342 O THR A 23 13.150 3.993 -6.803 1.00 3.02 O ATOM 343 CB THR A 23 14.481 6.711 -5.426 1.00 32.14 C ATOM 344 OG1 THR A 23 14.993 7.296 -6.628 1.00 4.23 O ATOM 345 CG2 THR A 23 15.441 5.641 -4.927 1.00 53.21 C ATOM 0 H THR A 23 13.299 5.217 -3.803 1.00 11.25 H new ATOM 0 HA THR A 23 12.380 6.928 -5.862 1.00 55.13 H new ATOM 0 HB THR A 23 14.389 7.480 -4.659 1.00 32.14 H new ATOM 0 HG1 THR A 23 15.881 7.674 -6.456 1.00 4.23 H new ATOM 0 HG21 THR A 23 16.421 6.084 -4.752 1.00 53.21 H new ATOM 0 HG22 THR A 23 15.063 5.218 -3.996 1.00 53.21 H new ATOM 0 HG23 THR A 23 15.528 4.853 -5.675 1.00 53.21 H new ATOM 353 N LEU A 24 13.190 5.838 -8.089 1.00 45.54 N ATOM 354 CA LEU A 24 13.252 5.096 -9.343 1.00 61.25 C ATOM 355 C LEU A 24 14.414 4.108 -9.335 1.00 20.33 C ATOM 356 O LEU A 24 14.281 2.972 -9.793 1.00 32.03 O ATOM 357 CB LEU A 24 13.396 6.059 -10.523 1.00 12.10 C ATOM 358 CG LEU A 24 12.496 7.295 -10.493 1.00 44.43 C ATOM 359 CD1 LEU A 24 13.276 8.511 -10.017 1.00 11.23 C ATOM 360 CD2 LEU A 24 11.895 7.550 -11.868 1.00 11.43 C ATOM 0 H LEU A 24 13.186 6.852 -8.199 1.00 45.54 H new ATOM 0 HA LEU A 24 12.323 4.536 -9.450 1.00 61.25 H new ATOM 0 HB2 LEU A 24 14.433 6.390 -10.571 1.00 12.10 H new ATOM 0 HB3 LEU A 24 13.194 5.509 -11.442 1.00 12.10 H new ATOM 0 HG LEU A 24 11.683 7.112 -9.791 1.00 44.43 H new ATOM 0 HD11 LEU A 24 12.620 9.381 -10.002 1.00 11.23 H new ATOM 0 HD12 LEU A 24 13.659 8.328 -9.013 1.00 11.23 H new ATOM 0 HD13 LEU A 24 14.109 8.697 -10.695 1.00 11.23 H new ATOM 0 HD21 LEU A 24 11.257 8.433 -11.828 1.00 11.43 H new ATOM 0 HD22 LEU A 24 12.695 7.712 -12.590 1.00 11.43 H new ATOM 0 HD23 LEU A 24 11.302 6.687 -12.171 1.00 11.43 H new ATOM 372 N LEU A 25 15.553 4.546 -8.809 1.00 55.11 N ATOM 373 CA LEU A 25 16.738 3.699 -8.738 1.00 4.41 C ATOM 374 C LEU A 25 16.412 2.358 -8.090 1.00 75.44 C ATOM 375 O LEU A 25 16.765 1.302 -8.615 1.00 31.53 O ATOM 376 CB LEU A 25 17.845 4.403 -7.950 1.00 32.21 C ATOM 377 CG LEU A 25 19.273 3.941 -8.240 1.00 62.40 C ATOM 378 CD1 LEU A 25 19.833 4.666 -9.454 1.00 74.43 C ATOM 379 CD2 LEU A 25 20.163 4.165 -7.026 1.00 61.51 C ATOM 0 H LEU A 25 15.681 5.483 -8.426 1.00 55.11 H new ATOM 0 HA LEU A 25 17.084 3.515 -9.755 1.00 4.41 H new ATOM 0 HB2 LEU A 25 17.783 5.472 -8.151 1.00 32.21 H new ATOM 0 HB3 LEU A 25 17.649 4.267 -6.886 1.00 32.21 H new ATOM 0 HG LEU A 25 19.251 2.873 -8.458 1.00 62.40 H new ATOM 0 HD11 LEU A 25 20.850 4.324 -9.645 1.00 74.43 H new ATOM 0 HD12 LEU A 25 19.210 4.455 -10.323 1.00 74.43 H new ATOM 0 HD13 LEU A 25 19.841 5.739 -9.265 1.00 74.43 H new ATOM 0 HD21 LEU A 25 21.176 3.830 -7.251 1.00 61.51 H new ATOM 0 HD22 LEU A 25 20.178 5.226 -6.777 1.00 61.51 H new ATOM 0 HD23 LEU A 25 19.773 3.599 -6.180 1.00 61.51 H new ATOM 391 N SER A 26 15.733 2.407 -6.949 1.00 13.14 N ATOM 392 CA SER A 26 15.359 1.196 -6.228 1.00 61.53 C ATOM 393 C SER A 26 14.493 0.291 -7.100 1.00 24.42 C ATOM 394 O SER A 26 14.552 -0.935 -6.993 1.00 33.14 O ATOM 395 CB SER A 26 14.611 1.552 -4.942 1.00 71.32 C ATOM 396 OG SER A 26 13.983 0.410 -4.385 1.00 54.20 O ATOM 0 H SER A 26 15.430 3.273 -6.503 1.00 13.14 H new ATOM 0 HA SER A 26 16.272 0.659 -5.971 1.00 61.53 H new ATOM 0 HB2 SER A 26 15.307 1.978 -4.219 1.00 71.32 H new ATOM 0 HB3 SER A 26 13.863 2.316 -5.152 1.00 71.32 H new ATOM 0 HG SER A 26 13.937 0.504 -3.411 1.00 54.20 H new ATOM 402 N LEU A 27 13.690 0.903 -7.963 1.00 4.34 N ATOM 403 CA LEU A 27 12.811 0.154 -8.854 1.00 42.50 C ATOM 404 C LEU A 27 13.604 -0.852 -9.682 1.00 1.03 C ATOM 405 O LEU A 27 13.070 -1.873 -10.113 1.00 23.41 O ATOM 406 CB LEU A 27 12.056 1.110 -9.779 1.00 41.51 C ATOM 407 CG LEU A 27 10.672 0.648 -10.237 1.00 44.22 C ATOM 408 CD1 LEU A 27 9.669 0.759 -9.100 1.00 10.11 C ATOM 409 CD2 LEU A 27 10.210 1.459 -11.440 1.00 24.45 C ATOM 0 H LEU A 27 13.629 1.916 -8.065 1.00 4.34 H new ATOM 0 HA LEU A 27 12.094 -0.392 -8.242 1.00 42.50 H new ATOM 0 HB2 LEU A 27 11.947 2.067 -9.269 1.00 41.51 H new ATOM 0 HB3 LEU A 27 12.669 1.288 -10.663 1.00 41.51 H new ATOM 0 HG LEU A 27 10.739 -0.399 -10.534 1.00 44.22 H new ATOM 0 HD11 LEU A 27 8.690 0.426 -9.445 1.00 10.11 H new ATOM 0 HD12 LEU A 27 9.992 0.134 -8.267 1.00 10.11 H new ATOM 0 HD13 LEU A 27 9.604 1.796 -8.772 1.00 10.11 H new ATOM 0 HD21 LEU A 27 9.223 1.117 -11.752 1.00 24.45 H new ATOM 0 HD22 LEU A 27 10.159 2.514 -11.170 1.00 24.45 H new ATOM 0 HD23 LEU A 27 10.916 1.328 -12.260 1.00 24.45 H new ATOM 421 N ALA A 28 14.882 -0.557 -9.898 1.00 12.23 N ATOM 422 CA ALA A 28 15.749 -1.438 -10.670 1.00 4.34 C ATOM 423 C ALA A 28 15.926 -2.783 -9.973 1.00 1.41 C ATOM 424 O ALA A 28 15.834 -3.837 -10.603 1.00 41.52 O ATOM 425 CB ALA A 28 17.101 -0.778 -10.899 1.00 63.32 C ATOM 0 H ALA A 28 15.339 0.285 -9.549 1.00 12.23 H new ATOM 0 HA ALA A 28 15.276 -1.618 -11.635 1.00 4.34 H new ATOM 0 HB1 ALA A 28 17.739 -1.447 -11.477 1.00 63.32 H new ATOM 0 HB2 ALA A 28 16.963 0.154 -11.446 1.00 63.32 H new ATOM 0 HB3 ALA A 28 17.571 -0.568 -9.938 1.00 63.32 H new ATOM 431 N HIS A 29 16.181 -2.739 -8.669 1.00 60.50 N ATOM 432 CA HIS A 29 16.371 -3.956 -7.887 1.00 11.35 C ATOM 433 C HIS A 29 15.054 -4.709 -7.725 1.00 11.21 C ATOM 434 O HIS A 29 15.020 -5.938 -7.782 1.00 72.11 O ATOM 435 CB HIS A 29 16.951 -3.618 -6.513 1.00 33.13 C ATOM 436 CG HIS A 29 17.658 -4.767 -5.862 1.00 43.15 C ATOM 437 ND1 HIS A 29 18.899 -5.213 -6.267 1.00 1.55 N ATOM 438 CD2 HIS A 29 17.293 -5.561 -4.829 1.00 70.54 C ATOM 439 CE1 HIS A 29 19.266 -6.233 -5.511 1.00 54.43 C ATOM 440 NE2 HIS A 29 18.309 -6.464 -4.631 1.00 35.20 N ATOM 0 H HIS A 29 16.261 -1.875 -8.132 1.00 60.50 H new ATOM 0 HA HIS A 29 17.072 -4.597 -8.422 1.00 11.35 H new ATOM 0 HB2 HIS A 29 17.647 -2.785 -6.616 1.00 33.13 H new ATOM 0 HB3 HIS A 29 16.145 -3.281 -5.861 1.00 33.13 H new ATOM 0 HD2 HIS A 29 16.374 -5.497 -4.265 1.00 70.54 H new ATOM 0 HE1 HIS A 29 20.191 -6.784 -5.598 1.00 54.43 H new ATOM 0 HE2 HIS A 29 18.322 -7.195 -3.919 1.00 35.20 H new ATOM 716 N VAL A 50 7.120 14.838 0.863 1.00 42.31 N ATOM 717 CA VAL A 50 6.397 14.230 -0.247 1.00 63.43 C ATOM 718 C VAL A 50 6.874 14.785 -1.584 1.00 43.34 C ATOM 719 O VAL A 50 7.621 15.763 -1.631 1.00 11.44 O ATOM 720 CB VAL A 50 4.879 14.458 -0.121 1.00 63.11 C ATOM 721 CG1 VAL A 50 4.325 13.711 1.083 1.00 41.24 C ATOM 722 CG2 VAL A 50 4.571 15.944 -0.025 1.00 53.42 C ATOM 0 HA VAL A 50 6.600 13.160 -0.208 1.00 63.43 H new ATOM 0 HB VAL A 50 4.394 14.067 -1.015 1.00 63.11 H new ATOM 0 HG11 VAL A 50 3.251 13.884 1.156 1.00 41.24 H new ATOM 0 HG12 VAL A 50 4.514 12.644 0.967 1.00 41.24 H new ATOM 0 HG13 VAL A 50 4.813 14.069 1.990 1.00 41.24 H new ATOM 0 HG21 VAL A 50 3.494 16.087 0.063 1.00 53.42 H new ATOM 0 HG22 VAL A 50 5.066 16.362 0.851 1.00 53.42 H new ATOM 0 HG23 VAL A 50 4.932 16.449 -0.921 1.00 53.42 H new ATOM 732 N ILE A 51 6.438 14.156 -2.670 1.00 60.40 N ATOM 733 CA ILE A 51 6.819 14.588 -4.009 1.00 3.44 C ATOM 734 C ILE A 51 5.614 14.612 -4.943 1.00 3.22 C ATOM 735 O ILE A 51 5.060 13.567 -5.284 1.00 63.22 O ATOM 736 CB ILE A 51 7.902 13.673 -4.609 1.00 63.32 C ATOM 737 CG1 ILE A 51 8.040 13.926 -6.112 1.00 14.41 C ATOM 738 CG2 ILE A 51 7.569 12.213 -4.341 1.00 65.53 C ATOM 739 CD1 ILE A 51 9.215 13.211 -6.740 1.00 51.25 C ATOM 0 H ILE A 51 5.820 13.345 -2.649 1.00 60.40 H new ATOM 0 HA ILE A 51 7.220 15.597 -3.913 1.00 3.44 H new ATOM 0 HB ILE A 51 8.855 13.902 -4.132 1.00 63.32 H new ATOM 0 HG12 ILE A 51 7.124 13.610 -6.611 1.00 14.41 H new ATOM 0 HG13 ILE A 51 8.143 14.997 -6.284 1.00 14.41 H new ATOM 0 HG21 ILE A 51 8.344 11.578 -4.771 1.00 65.53 H new ATOM 0 HG22 ILE A 51 7.516 12.043 -3.266 1.00 65.53 H new ATOM 0 HG23 ILE A 51 6.608 11.970 -4.794 1.00 65.53 H new ATOM 0 HD11 ILE A 51 9.251 13.436 -7.806 1.00 51.25 H new ATOM 0 HD12 ILE A 51 10.139 13.545 -6.268 1.00 51.25 H new ATOM 0 HD13 ILE A 51 9.104 12.136 -6.600 1.00 51.25 H new ATOM 751 N ILE A 52 5.215 15.811 -5.354 1.00 31.12 N ATOM 752 CA ILE A 52 4.077 15.970 -6.251 1.00 44.42 C ATOM 753 C ILE A 52 4.437 16.849 -7.444 1.00 44.13 C ATOM 754 O ILE A 52 5.417 17.595 -7.406 1.00 75.44 O ATOM 755 CB ILE A 52 2.867 16.584 -5.523 1.00 3.15 C ATOM 756 CG1 ILE A 52 3.336 17.580 -4.459 1.00 73.24 C ATOM 757 CG2 ILE A 52 2.017 15.490 -4.894 1.00 1.43 C ATOM 758 CD1 ILE A 52 4.161 18.717 -5.019 1.00 4.23 C ATOM 0 H ILE A 52 5.662 16.686 -5.080 1.00 31.12 H new ATOM 0 HA ILE A 52 3.811 14.973 -6.603 1.00 44.42 H new ATOM 0 HB ILE A 52 2.256 17.119 -6.250 1.00 3.15 H new ATOM 0 HG12 ILE A 52 2.465 17.991 -3.948 1.00 73.24 H new ATOM 0 HG13 ILE A 52 3.924 17.049 -3.710 1.00 73.24 H new ATOM 0 HG21 ILE A 52 1.166 15.939 -4.383 1.00 1.43 H new ATOM 0 HG22 ILE A 52 1.659 14.815 -5.672 1.00 1.43 H new ATOM 0 HG23 ILE A 52 2.617 14.931 -4.176 1.00 1.43 H new ATOM 0 HD11 ILE A 52 4.459 19.383 -4.210 1.00 4.23 H new ATOM 0 HD12 ILE A 52 5.051 18.316 -5.505 1.00 4.23 H new ATOM 0 HD13 ILE A 52 3.569 19.272 -5.747 1.00 4.23 H new ATOM 770 N ASP A 53 3.639 16.758 -8.502 1.00 34.53 N ATOM 771 CA ASP A 53 3.871 17.546 -9.706 1.00 52.51 C ATOM 772 C ASP A 53 4.127 19.009 -9.357 1.00 2.15 C ATOM 773 O ASP A 53 3.797 19.480 -8.268 1.00 34.20 O ATOM 774 CB ASP A 53 2.674 17.437 -10.652 1.00 14.44 C ATOM 775 CG ASP A 53 1.356 17.336 -9.908 1.00 62.03 C ATOM 776 OD1 ASP A 53 1.138 18.138 -8.977 1.00 32.04 O ATOM 777 OD2 ASP A 53 0.544 16.454 -10.258 1.00 33.12 O ATOM 0 H ASP A 53 2.825 16.145 -8.550 1.00 34.53 H new ATOM 0 HA ASP A 53 4.755 17.149 -10.205 1.00 52.51 H new ATOM 0 HB2 ASP A 53 2.652 18.307 -11.308 1.00 14.44 H new ATOM 0 HB3 ASP A 53 2.796 16.561 -11.289 1.00 14.44 H new ATOM 782 N PRO A 54 4.732 19.746 -10.300 1.00 54.21 N ATOM 783 CA PRO A 54 5.046 21.166 -10.115 1.00 24.23 C ATOM 784 C PRO A 54 3.796 22.039 -10.095 1.00 24.04 C ATOM 785 O PRO A 54 3.861 23.225 -9.772 1.00 44.22 O ATOM 786 CB PRO A 54 5.912 21.499 -11.332 1.00 51.24 C ATOM 787 CG PRO A 54 5.508 20.507 -12.368 1.00 32.14 C ATOM 788 CD PRO A 54 5.154 19.251 -11.621 1.00 33.40 C ATOM 0 HA PRO A 54 5.538 21.354 -9.161 1.00 24.23 H new ATOM 0 HB2 PRO A 54 5.740 22.520 -11.673 1.00 51.24 H new ATOM 0 HB3 PRO A 54 6.973 21.416 -11.097 1.00 51.24 H new ATOM 0 HG2 PRO A 54 4.658 20.870 -12.946 1.00 32.14 H new ATOM 0 HG3 PRO A 54 6.319 20.326 -13.073 1.00 32.14 H new ATOM 0 HD2 PRO A 54 4.355 18.700 -12.117 1.00 33.40 H new ATOM 0 HD3 PRO A 54 6.006 18.576 -11.544 1.00 33.40 H new ATOM 796 N SER A 55 2.659 21.444 -10.441 1.00 1.34 N ATOM 797 CA SER A 55 1.394 22.169 -10.465 1.00 41.34 C ATOM 798 C SER A 55 0.815 22.300 -9.060 1.00 4.12 C ATOM 799 O SER A 55 0.018 23.197 -8.786 1.00 74.14 O ATOM 800 CB SER A 55 0.392 21.459 -11.378 1.00 24.34 C ATOM 801 OG SER A 55 -0.935 21.866 -11.093 1.00 44.21 O ATOM 0 H SER A 55 2.588 20.462 -10.708 1.00 1.34 H new ATOM 0 HA SER A 55 1.585 23.169 -10.855 1.00 41.34 H new ATOM 0 HB2 SER A 55 0.627 21.677 -12.420 1.00 24.34 H new ATOM 0 HB3 SER A 55 0.480 20.380 -11.250 1.00 24.34 H new ATOM 0 HG SER A 55 -1.556 21.399 -11.691 1.00 44.21 H new ATOM 807 N TRP A 56 1.223 21.400 -8.173 1.00 62.51 N ATOM 808 CA TRP A 56 0.746 21.413 -6.795 1.00 53.31 C ATOM 809 C TRP A 56 1.836 21.897 -5.846 1.00 3.02 C ATOM 810 O TRP A 56 1.551 22.350 -4.737 1.00 1.10 O ATOM 811 CB TRP A 56 0.276 20.017 -6.383 1.00 14.54 C ATOM 812 CG TRP A 56 -1.165 19.757 -6.703 1.00 52.03 C ATOM 813 CD1 TRP A 56 -1.787 19.957 -7.903 1.00 21.33 C ATOM 814 CD2 TRP A 56 -2.164 19.251 -5.811 1.00 22.22 C ATOM 815 NE1 TRP A 56 -3.112 19.605 -7.810 1.00 0.13 N ATOM 816 CE2 TRP A 56 -3.368 19.168 -6.537 1.00 10.10 C ATOM 817 CE3 TRP A 56 -2.158 18.857 -4.470 1.00 4.40 C ATOM 818 CZ2 TRP A 56 -4.552 18.710 -5.965 1.00 63.40 C ATOM 819 CZ3 TRP A 56 -3.333 18.403 -3.904 1.00 33.13 C ATOM 820 CH2 TRP A 56 -4.517 18.331 -4.650 1.00 42.24 C ATOM 0 H TRP A 56 1.883 20.652 -8.383 1.00 62.51 H new ATOM 0 HA TRP A 56 -0.095 22.104 -6.734 1.00 53.31 H new ATOM 0 HB2 TRP A 56 0.892 19.271 -6.885 1.00 14.54 H new ATOM 0 HB3 TRP A 56 0.431 19.891 -5.312 1.00 14.54 H new ATOM 0 HD1 TRP A 56 -1.308 20.336 -8.794 1.00 21.33 H new ATOM 0 HE1 TRP A 56 -3.794 19.660 -8.566 1.00 0.13 H new ATOM 0 HE3 TRP A 56 -1.250 18.907 -3.887 1.00 4.40 H new ATOM 0 HZ2 TRP A 56 -5.466 18.656 -6.538 1.00 63.40 H new ATOM 0 HZ3 TRP A 56 -3.339 18.098 -2.868 1.00 33.13 H new ATOM 0 HH2 TRP A 56 -5.419 17.970 -4.179 1.00 42.24 H new ATOM 831 N TYR A 57 3.085 21.798 -6.287 1.00 42.43 N ATOM 832 CA TYR A 57 4.219 22.224 -5.475 1.00 52.32 C ATOM 833 C TYR A 57 4.049 23.670 -5.019 1.00 3.14 C ATOM 834 O TYR A 57 4.307 24.002 -3.861 1.00 71.33 O ATOM 835 CB TYR A 57 5.522 22.076 -6.263 1.00 34.12 C ATOM 836 CG TYR A 57 6.720 22.686 -5.572 1.00 11.53 C ATOM 837 CD1 TYR A 57 7.196 22.167 -4.374 1.00 72.34 C ATOM 838 CD2 TYR A 57 7.377 23.783 -6.117 1.00 33.10 C ATOM 839 CE1 TYR A 57 8.290 22.722 -3.739 1.00 53.04 C ATOM 840 CE2 TYR A 57 8.472 24.344 -5.490 1.00 24.24 C ATOM 841 CZ TYR A 57 8.925 23.810 -4.301 1.00 13.11 C ATOM 842 OH TYR A 57 10.016 24.365 -3.672 1.00 54.21 O ATOM 0 H TYR A 57 3.338 21.426 -7.203 1.00 42.43 H new ATOM 0 HA TYR A 57 4.262 21.586 -4.592 1.00 52.32 H new ATOM 0 HB2 TYR A 57 5.713 21.017 -6.437 1.00 34.12 H new ATOM 0 HB3 TYR A 57 5.401 22.542 -7.241 1.00 34.12 H new ATOM 0 HD1 TYR A 57 6.702 21.315 -3.932 1.00 72.34 H new ATOM 0 HD2 TYR A 57 7.025 24.204 -7.047 1.00 33.10 H new ATOM 0 HE1 TYR A 57 8.646 22.307 -2.808 1.00 53.04 H new ATOM 0 HE2 TYR A 57 8.971 25.196 -5.928 1.00 24.24 H new ATOM 0 HH TYR A 57 10.347 25.122 -4.198 1.00 54.21 H new ATOM 852 N ASP A 58 3.614 24.526 -5.936 1.00 54.04 N ATOM 853 CA ASP A 58 3.407 25.937 -5.630 1.00 22.45 C ATOM 854 C ASP A 58 2.289 26.112 -4.607 1.00 11.32 C ATOM 855 O ASP A 58 2.258 27.098 -3.870 1.00 51.51 O ATOM 856 CB ASP A 58 3.076 26.715 -6.904 1.00 64.31 C ATOM 857 CG ASP A 58 2.497 28.085 -6.612 1.00 44.00 C ATOM 858 OD1 ASP A 58 3.113 28.834 -5.825 1.00 43.41 O ATOM 859 OD2 ASP A 58 1.429 28.409 -7.171 1.00 71.41 O ATOM 0 H ASP A 58 3.397 24.268 -6.899 1.00 54.04 H new ATOM 0 HA ASP A 58 4.330 26.330 -5.204 1.00 22.45 H new ATOM 0 HB2 ASP A 58 3.980 26.826 -7.503 1.00 64.31 H new ATOM 0 HB3 ASP A 58 2.366 26.143 -7.501 1.00 64.31 H new ATOM 864 N ILE A 59 1.373 25.151 -4.569 1.00 32.24 N ATOM 865 CA ILE A 59 0.253 25.200 -3.636 1.00 62.35 C ATOM 866 C ILE A 59 0.676 24.742 -2.245 1.00 21.12 C ATOM 867 O ILE A 59 0.437 25.431 -1.253 1.00 43.53 O ATOM 868 CB ILE A 59 -0.919 24.325 -4.118 1.00 71.22 C ATOM 869 CG1 ILE A 59 -1.406 24.796 -5.490 1.00 1.40 C ATOM 870 CG2 ILE A 59 -2.055 24.358 -3.107 1.00 32.31 C ATOM 871 CD1 ILE A 59 -2.280 23.787 -6.201 1.00 22.11 C ATOM 0 H ILE A 59 1.384 24.329 -5.173 1.00 32.24 H new ATOM 0 HA ILE A 59 -0.074 26.239 -3.590 1.00 62.35 H new ATOM 0 HB ILE A 59 -0.571 23.296 -4.211 1.00 71.22 H new ATOM 0 HG12 ILE A 59 -1.963 25.725 -5.369 1.00 1.40 H new ATOM 0 HG13 ILE A 59 -0.542 25.021 -6.116 1.00 1.40 H new ATOM 0 HG21 ILE A 59 -2.876 23.735 -3.462 1.00 32.31 H new ATOM 0 HG22 ILE A 59 -1.700 23.979 -2.148 1.00 32.31 H new ATOM 0 HG23 ILE A 59 -2.404 25.383 -2.985 1.00 32.31 H new ATOM 0 HD11 ILE A 59 -2.588 24.189 -7.166 1.00 22.11 H new ATOM 0 HD12 ILE A 59 -1.720 22.864 -6.354 1.00 22.11 H new ATOM 0 HD13 ILE A 59 -3.163 23.580 -5.596 1.00 22.11 H new ATOM 883 N VAL A 60 1.308 23.574 -2.178 1.00 53.14 N ATOM 884 CA VAL A 60 1.767 23.025 -0.908 1.00 64.35 C ATOM 885 C VAL A 60 2.857 23.897 -0.295 1.00 32.34 C ATOM 886 O VAL A 60 3.047 23.905 0.921 1.00 13.01 O ATOM 887 CB VAL A 60 2.307 21.592 -1.079 1.00 41.22 C ATOM 888 CG1 VAL A 60 1.189 20.645 -1.486 1.00 14.01 C ATOM 889 CG2 VAL A 60 3.436 21.567 -2.099 1.00 32.43 C ATOM 0 H VAL A 60 1.514 22.990 -2.989 1.00 53.14 H new ATOM 0 HA VAL A 60 0.905 23.004 -0.242 1.00 64.35 H new ATOM 0 HB VAL A 60 2.705 21.255 -0.122 1.00 41.22 H new ATOM 0 HG11 VAL A 60 1.589 19.638 -1.602 1.00 14.01 H new ATOM 0 HG12 VAL A 60 0.417 20.642 -0.717 1.00 14.01 H new ATOM 0 HG13 VAL A 60 0.758 20.975 -2.431 1.00 14.01 H new ATOM 0 HG21 VAL A 60 3.806 20.547 -2.208 1.00 32.43 H new ATOM 0 HG22 VAL A 60 3.066 21.923 -3.060 1.00 32.43 H new ATOM 0 HG23 VAL A 60 4.246 22.213 -1.761 1.00 32.43 H new ATOM 899 N GLU A 61 3.569 24.630 -1.144 1.00 64.13 N ATOM 900 CA GLU A 61 4.641 25.506 -0.684 1.00 73.43 C ATOM 901 C GLU A 61 4.074 26.779 -0.064 1.00 53.53 C ATOM 902 O GLU A 61 4.653 27.339 0.866 1.00 12.31 O ATOM 903 CB GLU A 61 5.573 25.861 -1.845 1.00 14.23 C ATOM 904 CG GLU A 61 6.589 26.937 -1.501 1.00 52.45 C ATOM 905 CD GLU A 61 6.049 28.338 -1.713 1.00 53.51 C ATOM 906 OE1 GLU A 61 5.458 28.590 -2.784 1.00 50.33 O ATOM 907 OE2 GLU A 61 6.217 29.183 -0.809 1.00 32.34 O ATOM 0 H GLU A 61 3.424 24.635 -2.154 1.00 64.13 H new ATOM 0 HA GLU A 61 5.210 24.974 0.078 1.00 73.43 H new ATOM 0 HB2 GLU A 61 6.101 24.963 -2.164 1.00 14.23 H new ATOM 0 HB3 GLU A 61 4.974 26.196 -2.692 1.00 14.23 H new ATOM 0 HG2 GLU A 61 6.895 26.823 -0.461 1.00 52.45 H new ATOM 0 HG3 GLU A 61 7.480 26.799 -2.113 1.00 52.45 H new ATOM 914 N GLN A 62 2.938 27.231 -0.588 1.00 24.22 N ATOM 915 CA GLN A 62 2.294 28.439 -0.087 1.00 31.13 C ATOM 916 C GLN A 62 1.329 28.111 1.048 1.00 24.32 C ATOM 917 O GLN A 62 1.054 28.951 1.906 1.00 63.24 O ATOM 918 CB GLN A 62 1.547 29.150 -1.217 1.00 4.14 C ATOM 919 CG GLN A 62 0.333 28.386 -1.719 1.00 12.24 C ATOM 920 CD GLN A 62 -0.518 29.203 -2.671 1.00 42.22 C ATOM 921 OE1 GLN A 62 -1.384 29.969 -2.247 1.00 72.43 O ATOM 922 NE2 GLN A 62 -0.274 29.045 -3.967 1.00 35.21 N ATOM 0 H GLN A 62 2.446 26.779 -1.358 1.00 24.22 H new ATOM 0 HA GLN A 62 3.070 29.100 0.299 1.00 31.13 H new ATOM 0 HB2 GLN A 62 1.229 30.133 -0.869 1.00 4.14 H new ATOM 0 HB3 GLN A 62 2.233 29.313 -2.048 1.00 4.14 H new ATOM 0 HG2 GLN A 62 0.663 27.477 -2.222 1.00 12.24 H new ATOM 0 HG3 GLN A 62 -0.275 28.077 -0.868 1.00 12.24 H new ATOM 0 HE21 GLN A 62 0.453 28.399 -4.274 1.00 35.21 H new ATOM 0 HE22 GLN A 62 -0.814 29.569 -4.655 1.00 35.21 H new ATOM 931 N HIS A 63 0.818 26.884 1.047 1.00 20.35 N ATOM 932 CA HIS A 63 -0.116 26.444 2.078 1.00 53.22 C ATOM 933 C HIS A 63 0.625 26.062 3.356 1.00 75.14 C ATOM 934 O HIS A 63 0.064 26.116 4.449 1.00 11.52 O ATOM 935 CB HIS A 63 -0.939 25.257 1.577 1.00 72.01 C ATOM 936 CG HIS A 63 -1.990 24.806 2.544 1.00 22.33 C ATOM 937 ND1 HIS A 63 -2.809 25.679 3.227 1.00 13.51 N ATOM 938 CD2 HIS A 63 -2.353 23.564 2.940 1.00 35.45 C ATOM 939 CE1 HIS A 63 -3.630 24.994 4.003 1.00 55.53 C ATOM 940 NE2 HIS A 63 -3.375 23.708 3.847 1.00 2.00 N ATOM 0 H HIS A 63 1.035 26.177 0.344 1.00 20.35 H new ATOM 0 HA HIS A 63 -0.787 27.273 2.303 1.00 53.22 H new ATOM 0 HB2 HIS A 63 -1.416 25.528 0.635 1.00 72.01 H new ATOM 0 HB3 HIS A 63 -0.269 24.424 1.367 1.00 72.01 H new ATOM 0 HD2 HIS A 63 -1.920 22.633 2.605 1.00 35.45 H new ATOM 0 HE1 HIS A 63 -4.382 25.415 4.654 1.00 55.53 H new ATOM 0 HE2 HIS A 63 -3.858 22.946 4.322 1.00 2.00 H new ATOM 948 N ASN A 64 1.887 25.674 3.208 1.00 3.24 N ATOM 949 CA ASN A 64 2.704 25.281 4.351 1.00 43.42 C ATOM 950 C ASN A 64 3.509 26.466 4.877 1.00 14.14 C ATOM 951 O ASN A 64 4.413 26.962 4.206 1.00 54.11 O ATOM 952 CB ASN A 64 3.649 24.142 3.961 1.00 14.33 C ATOM 953 CG ASN A 64 2.959 22.791 3.970 1.00 44.53 C ATOM 954 OD1 ASN A 64 1.923 22.607 3.332 1.00 53.23 O ATOM 955 ND2 ASN A 64 3.534 21.839 4.695 1.00 73.10 N ATOM 0 H ASN A 64 2.366 25.623 2.309 1.00 3.24 H new ATOM 0 HA ASN A 64 2.037 24.937 5.142 1.00 43.42 H new ATOM 0 HB2 ASN A 64 4.054 24.334 2.967 1.00 14.33 H new ATOM 0 HB3 ASN A 64 4.493 24.121 4.651 1.00 14.33 H new ATOM 0 HD21 ASN A 64 3.117 20.909 4.739 1.00 73.10 H new ATOM 0 HD22 ASN A 64 4.393 22.037 5.208 1.00 73.10 H new ATOM 962 N GLU A 65 3.173 26.913 6.083 1.00 13.34 N ATOM 963 CA GLU A 65 3.864 28.040 6.699 1.00 31.25 C ATOM 964 C GLU A 65 5.339 27.718 6.921 1.00 61.04 C ATOM 965 O GLU A 65 5.692 26.599 7.296 1.00 54.42 O ATOM 966 CB GLU A 65 3.205 28.404 8.031 1.00 10.45 C ATOM 967 CG GLU A 65 3.412 27.363 9.118 1.00 4.14 C ATOM 968 CD GLU A 65 2.515 27.587 10.320 1.00 41.30 C ATOM 969 OE1 GLU A 65 2.755 28.559 11.067 1.00 33.41 O ATOM 970 OE2 GLU A 65 1.573 26.791 10.513 1.00 75.35 O ATOM 0 H GLU A 65 2.427 26.513 6.652 1.00 13.34 H new ATOM 0 HA GLU A 65 3.793 28.891 6.022 1.00 31.25 H new ATOM 0 HB2 GLU A 65 3.603 29.359 8.374 1.00 10.45 H new ATOM 0 HB3 GLU A 65 2.136 28.543 7.872 1.00 10.45 H new ATOM 0 HG2 GLU A 65 3.221 26.372 8.707 1.00 4.14 H new ATOM 0 HG3 GLU A 65 4.454 27.380 9.439 1.00 4.14 H new ATOM 977 N ILE A 66 6.196 28.706 6.685 1.00 72.23 N ATOM 978 CA ILE A 66 7.632 28.528 6.858 1.00 1.53 C ATOM 979 C ILE A 66 8.180 29.482 7.915 1.00 60.03 C ATOM 980 O ILE A 66 7.928 30.686 7.869 1.00 21.04 O ATOM 981 CB ILE A 66 8.391 28.753 5.537 1.00 11.20 C ATOM 982 CG1 ILE A 66 7.909 30.038 4.859 1.00 25.33 C ATOM 983 CG2 ILE A 66 8.209 27.559 4.612 1.00 55.32 C ATOM 984 CD1 ILE A 66 8.614 30.332 3.553 1.00 13.44 C ATOM 0 H ILE A 66 5.921 29.637 6.374 1.00 72.23 H new ATOM 0 HA ILE A 66 7.786 27.499 7.185 1.00 1.53 H new ATOM 0 HB ILE A 66 9.453 28.858 5.758 1.00 11.20 H new ATOM 0 HG12 ILE A 66 6.837 29.962 4.675 1.00 25.33 H new ATOM 0 HG13 ILE A 66 8.057 30.876 5.540 1.00 25.33 H new ATOM 0 HG21 ILE A 66 8.751 27.733 3.683 1.00 55.32 H new ATOM 0 HG22 ILE A 66 8.596 26.662 5.095 1.00 55.32 H new ATOM 0 HG23 ILE A 66 7.149 27.426 4.394 1.00 55.32 H new ATOM 0 HD11 ILE A 66 8.223 31.256 3.128 1.00 13.44 H new ATOM 0 HD12 ILE A 66 9.684 30.440 3.733 1.00 13.44 H new ATOM 0 HD13 ILE A 66 8.444 29.512 2.855 1.00 13.44 H new ATOM 996 N SER A 67 8.932 28.935 8.864 1.00 4.23 N ATOM 997 CA SER A 67 9.515 29.737 9.934 1.00 22.30 C ATOM 998 C SER A 67 10.812 30.396 9.474 1.00 22.53 C ATOM 999 O SER A 67 11.216 30.257 8.320 1.00 44.13 O ATOM 1000 CB SER A 67 9.780 28.868 11.165 1.00 33.30 C ATOM 1001 OG SER A 67 8.643 28.087 11.492 1.00 11.53 O ATOM 0 H SER A 67 9.152 27.940 8.914 1.00 4.23 H new ATOM 0 HA SER A 67 8.803 30.520 10.197 1.00 22.30 H new ATOM 0 HB2 SER A 67 10.632 28.215 10.976 1.00 33.30 H new ATOM 0 HB3 SER A 67 10.045 29.502 12.011 1.00 33.30 H new ATOM 0 HG SER A 67 8.838 27.539 12.281 1.00 11.53 H new ATOM 1007 N ASP A 68 11.460 31.112 10.386 1.00 14.33 N ATOM 1008 CA ASP A 68 12.712 31.793 10.076 1.00 32.54 C ATOM 1009 C ASP A 68 13.780 30.794 9.641 1.00 34.34 C ATOM 1010 O ASP A 68 14.585 31.079 8.756 1.00 73.45 O ATOM 1011 CB ASP A 68 13.201 32.584 11.290 1.00 13.42 C ATOM 1012 CG ASP A 68 12.343 33.802 11.571 1.00 53.42 C ATOM 1013 OD1 ASP A 68 11.962 34.495 10.604 1.00 15.51 O ATOM 1014 OD2 ASP A 68 12.052 34.062 12.757 1.00 54.01 O ATOM 0 H ASP A 68 11.139 31.236 11.346 1.00 14.33 H new ATOM 0 HA ASP A 68 12.528 32.483 9.253 1.00 32.54 H new ATOM 0 HB2 ASP A 68 13.204 31.935 12.166 1.00 13.42 H new ATOM 0 HB3 ASP A 68 14.231 32.899 11.124 1.00 13.42 H new ATOM 1019 N GLU A 69 13.780 29.623 10.272 1.00 50.32 N ATOM 1020 CA GLU A 69 14.751 28.584 9.950 1.00 35.44 C ATOM 1021 C GLU A 69 14.311 27.789 8.724 1.00 34.01 C ATOM 1022 O GLU A 69 15.139 27.345 7.930 1.00 22.54 O ATOM 1023 CB GLU A 69 14.936 27.642 11.142 1.00 20.01 C ATOM 1024 CG GLU A 69 13.694 26.834 11.479 1.00 60.04 C ATOM 1025 CD GLU A 69 13.927 25.850 12.608 1.00 33.33 C ATOM 1026 OE1 GLU A 69 14.690 24.883 12.404 1.00 65.20 O ATOM 1027 OE2 GLU A 69 13.345 26.046 13.696 1.00 64.41 O ATOM 0 H GLU A 69 13.120 29.371 11.007 1.00 50.32 H new ATOM 0 HA GLU A 69 15.702 29.068 9.726 1.00 35.44 H new ATOM 0 HB2 GLU A 69 15.757 26.958 10.929 1.00 20.01 H new ATOM 0 HB3 GLU A 69 15.226 28.227 12.015 1.00 20.01 H new ATOM 0 HG2 GLU A 69 12.887 27.513 11.755 1.00 60.04 H new ATOM 0 HG3 GLU A 69 13.366 26.292 10.592 1.00 60.04 H new ATOM 1034 N GLU A 70 13.001 27.615 8.578 1.00 71.43 N ATOM 1035 CA GLU A 70 12.451 26.873 7.449 1.00 21.42 C ATOM 1036 C GLU A 70 12.624 27.653 6.149 1.00 33.31 C ATOM 1037 O GLU A 70 13.256 27.177 5.207 1.00 1.31 O ATOM 1038 CB GLU A 70 10.969 26.570 7.682 1.00 25.14 C ATOM 1039 CG GLU A 70 10.467 25.359 6.915 1.00 64.34 C ATOM 1040 CD GLU A 70 10.910 24.049 7.537 1.00 65.22 C ATOM 1041 OE1 GLU A 70 10.190 23.539 8.421 1.00 42.03 O ATOM 1042 OE2 GLU A 70 11.977 23.534 7.141 1.00 73.35 O ATOM 0 H GLU A 70 12.302 27.977 9.226 1.00 71.43 H new ATOM 0 HA GLU A 70 12.997 25.934 7.364 1.00 21.42 H new ATOM 0 HB2 GLU A 70 10.803 26.409 8.747 1.00 25.14 H new ATOM 0 HB3 GLU A 70 10.379 27.441 7.395 1.00 25.14 H new ATOM 0 HG2 GLU A 70 9.378 25.387 6.872 1.00 64.34 H new ATOM 0 HG3 GLU A 70 10.828 25.409 5.888 1.00 64.34 H new ATOM 1049 N ASN A 71 12.056 28.853 6.107 1.00 55.54 N ATOM 1050 CA ASN A 71 12.145 29.700 4.922 1.00 20.22 C ATOM 1051 C ASN A 71 13.601 29.934 4.530 1.00 74.14 C ATOM 1052 O ASN A 71 13.906 30.192 3.365 1.00 4.54 O ATOM 1053 CB ASN A 71 11.451 31.040 5.174 1.00 2.00 C ATOM 1054 CG ASN A 71 11.573 31.985 3.994 1.00 73.31 C ATOM 1055 OD1 ASN A 71 11.867 33.168 4.160 1.00 44.41 O ATOM 1056 ND2 ASN A 71 11.345 31.464 2.794 1.00 42.04 N ATOM 0 H ASN A 71 11.529 29.262 6.879 1.00 55.54 H new ATOM 0 HA ASN A 71 11.643 29.188 4.101 1.00 20.22 H new ATOM 0 HB2 ASN A 71 10.397 30.865 5.389 1.00 2.00 H new ATOM 0 HB3 ASN A 71 11.883 31.509 6.058 1.00 2.00 H new ATOM 0 HD21 ASN A 71 11.411 32.051 1.962 1.00 42.04 H new ATOM 0 HD22 ASN A 71 11.104 30.477 2.704 1.00 42.04 H new ATOM 1063 N ASP A 72 14.494 29.841 5.508 1.00 32.35 N ATOM 1064 CA ASP A 72 15.918 30.040 5.266 1.00 52.53 C ATOM 1065 C ASP A 72 16.562 28.766 4.729 1.00 33.33 C ATOM 1066 O ASP A 72 17.500 28.820 3.935 1.00 21.31 O ATOM 1067 CB ASP A 72 16.620 30.479 6.552 1.00 73.20 C ATOM 1068 CG ASP A 72 18.070 30.856 6.321 1.00 54.34 C ATOM 1069 OD1 ASP A 72 18.850 29.981 5.890 1.00 75.14 O ATOM 1070 OD2 ASP A 72 18.424 32.027 6.570 1.00 44.24 O ATOM 0 H ASP A 72 14.257 29.629 6.477 1.00 32.35 H new ATOM 0 HA ASP A 72 16.027 30.824 4.517 1.00 52.53 H new ATOM 0 HB2 ASP A 72 16.090 31.330 6.979 1.00 73.20 H new ATOM 0 HB3 ASP A 72 16.570 29.672 7.283 1.00 73.20 H new ATOM 1075 N MET A 73 16.051 27.620 5.170 1.00 43.51 N ATOM 1076 CA MET A 73 16.577 26.332 4.734 1.00 51.04 C ATOM 1077 C MET A 73 16.276 26.094 3.257 1.00 33.34 C ATOM 1078 O MET A 73 17.020 25.396 2.566 1.00 14.52 O ATOM 1079 CB MET A 73 15.982 25.202 5.576 1.00 14.54 C ATOM 1080 CG MET A 73 16.715 23.880 5.425 1.00 62.21 C ATOM 1081 SD MET A 73 18.317 23.875 6.254 1.00 75.34 S ATOM 1082 CE MET A 73 17.859 23.254 7.870 1.00 1.23 C ATOM 0 H MET A 73 15.274 27.558 5.828 1.00 43.51 H new ATOM 0 HA MET A 73 17.659 26.345 4.869 1.00 51.04 H new ATOM 0 HB2 MET A 73 15.994 25.497 6.625 1.00 14.54 H new ATOM 0 HB3 MET A 73 14.938 25.063 5.296 1.00 14.54 H new ATOM 0 HG2 MET A 73 16.098 23.078 5.831 1.00 62.21 H new ATOM 0 HG3 MET A 73 16.858 23.667 4.366 1.00 62.21 H new ATOM 0 HE1 MET A 73 18.746 23.193 8.501 1.00 1.23 H new ATOM 0 HE2 MET A 73 17.134 23.928 8.327 1.00 1.23 H new ATOM 0 HE3 MET A 73 17.418 22.262 7.767 1.00 1.23 H new ATOM 1092 N LEU A 74 15.181 26.676 2.780 1.00 4.20 N ATOM 1093 CA LEU A 74 14.782 26.527 1.385 1.00 73.20 C ATOM 1094 C LEU A 74 15.839 27.107 0.451 1.00 55.04 C ATOM 1095 O LEU A 74 15.976 26.673 -0.693 1.00 72.02 O ATOM 1096 CB LEU A 74 13.437 27.215 1.143 1.00 42.13 C ATOM 1097 CG LEU A 74 12.943 27.233 -0.304 1.00 65.14 C ATOM 1098 CD1 LEU A 74 11.427 27.123 -0.352 1.00 44.45 C ATOM 1099 CD2 LEU A 74 13.412 28.496 -1.012 1.00 55.11 C ATOM 0 H LEU A 74 14.554 27.255 3.339 1.00 4.20 H new ATOM 0 HA LEU A 74 14.682 25.463 1.173 1.00 73.20 H new ATOM 0 HB2 LEU A 74 12.684 26.722 1.757 1.00 42.13 H new ATOM 0 HB3 LEU A 74 13.510 28.244 1.494 1.00 42.13 H new ATOM 0 HG LEU A 74 13.365 26.372 -0.823 1.00 65.14 H new ATOM 0 HD11 LEU A 74 11.094 27.137 -1.390 1.00 44.45 H new ATOM 0 HD12 LEU A 74 11.115 26.190 0.116 1.00 44.45 H new ATOM 0 HD13 LEU A 74 10.984 27.963 0.183 1.00 44.45 H new ATOM 0 HD21 LEU A 74 13.051 28.492 -2.041 1.00 55.11 H new ATOM 0 HD22 LEU A 74 13.020 29.371 -0.493 1.00 55.11 H new ATOM 0 HD23 LEU A 74 14.501 28.531 -1.010 1.00 55.11 H new ATOM 1111 N ASP A 75 16.584 28.088 0.946 1.00 1.42 N ATOM 1112 CA ASP A 75 17.632 28.726 0.157 1.00 14.10 C ATOM 1113 C ASP A 75 18.830 27.797 -0.007 1.00 4.13 C ATOM 1114 O ASP A 75 19.605 27.927 -0.956 1.00 32.41 O ATOM 1115 CB ASP A 75 18.071 30.035 0.816 1.00 71.32 C ATOM 1116 CG ASP A 75 17.759 31.247 -0.039 1.00 73.25 C ATOM 1117 OD1 ASP A 75 16.754 31.207 -0.781 1.00 3.50 O ATOM 1118 OD2 ASP A 75 18.518 32.235 0.033 1.00 2.22 O ATOM 0 H ASP A 75 16.482 28.460 1.890 1.00 1.42 H new ATOM 0 HA ASP A 75 17.227 28.944 -0.831 1.00 14.10 H new ATOM 0 HB2 ASP A 75 17.574 30.137 1.781 1.00 71.32 H new ATOM 0 HB3 ASP A 75 19.143 29.998 1.012 1.00 71.32 H new ATOM 1123 N LEU A 76 18.978 26.861 0.924 1.00 4.13 N ATOM 1124 CA LEU A 76 20.084 25.910 0.884 1.00 10.22 C ATOM 1125 C LEU A 76 19.745 24.718 -0.004 1.00 75.42 C ATOM 1126 O LEU A 76 20.634 24.048 -0.529 1.00 3.55 O ATOM 1127 CB LEU A 76 20.420 25.429 2.297 1.00 42.12 C ATOM 1128 CG LEU A 76 21.273 26.375 3.143 1.00 53.31 C ATOM 1129 CD1 LEU A 76 20.410 27.468 3.754 1.00 0.43 C ATOM 1130 CD2 LEU A 76 22.008 25.604 4.229 1.00 70.40 C ATOM 0 H LEU A 76 18.346 26.740 1.716 1.00 4.13 H new ATOM 0 HA LEU A 76 20.952 26.417 0.463 1.00 10.22 H new ATOM 0 HB2 LEU A 76 19.486 25.242 2.827 1.00 42.12 H new ATOM 0 HB3 LEU A 76 20.940 24.474 2.220 1.00 42.12 H new ATOM 0 HG LEU A 76 22.013 26.844 2.495 1.00 53.31 H new ATOM 0 HD11 LEU A 76 21.034 28.132 4.353 1.00 0.43 H new ATOM 0 HD12 LEU A 76 19.930 28.039 2.960 1.00 0.43 H new ATOM 0 HD13 LEU A 76 19.647 27.017 4.388 1.00 0.43 H new ATOM 0 HD21 LEU A 76 22.610 26.294 4.821 1.00 70.40 H new ATOM 0 HD22 LEU A 76 21.285 25.107 4.875 1.00 70.40 H new ATOM 0 HD23 LEU A 76 22.657 24.858 3.770 1.00 70.40 H new ATOM 1142 N ALA A 77 18.452 24.459 -0.170 1.00 55.01 N ATOM 1143 CA ALA A 77 17.994 23.350 -0.998 1.00 44.14 C ATOM 1144 C ALA A 77 18.640 23.394 -2.379 1.00 61.32 C ATOM 1145 O ALA A 77 18.321 24.256 -3.198 1.00 12.11 O ATOM 1146 CB ALA A 77 16.478 23.374 -1.122 1.00 21.43 C ATOM 0 H ALA A 77 17.703 25.003 0.258 1.00 55.01 H new ATOM 0 HA ALA A 77 18.293 22.420 -0.514 1.00 44.14 H new ATOM 0 HB1 ALA A 77 16.150 22.540 -1.743 1.00 21.43 H new ATOM 0 HB2 ALA A 77 16.031 23.287 -0.132 1.00 21.43 H new ATOM 0 HB3 ALA A 77 16.165 24.312 -1.580 1.00 21.43 H new ATOM 1152 N PHE A 78 19.550 22.459 -2.631 1.00 44.03 N ATOM 1153 CA PHE A 78 20.243 22.392 -3.913 1.00 54.01 C ATOM 1154 C PHE A 78 20.329 20.952 -4.410 1.00 25.24 C ATOM 1155 O PHE A 78 20.812 20.068 -3.703 1.00 33.12 O ATOM 1156 CB PHE A 78 21.647 22.987 -3.790 1.00 20.40 C ATOM 1157 CG PHE A 78 21.680 24.481 -3.933 1.00 51.40 C ATOM 1158 CD1 PHE A 78 21.340 25.083 -5.134 1.00 1.20 C ATOM 1159 CD2 PHE A 78 22.050 25.285 -2.867 1.00 31.34 C ATOM 1160 CE1 PHE A 78 21.370 26.458 -5.268 1.00 42.44 C ATOM 1161 CE2 PHE A 78 22.082 26.661 -2.995 1.00 35.41 C ATOM 1162 CZ PHE A 78 21.740 27.248 -4.197 1.00 42.13 C ATOM 0 H PHE A 78 19.825 21.737 -1.965 1.00 44.03 H new ATOM 0 HA PHE A 78 19.673 22.974 -4.637 1.00 54.01 H new ATOM 0 HB2 PHE A 78 22.065 22.714 -2.821 1.00 20.40 H new ATOM 0 HB3 PHE A 78 22.289 22.543 -4.551 1.00 20.40 H new ATOM 0 HD1 PHE A 78 21.048 24.471 -5.975 1.00 1.20 H new ATOM 0 HD2 PHE A 78 22.317 24.831 -1.924 1.00 31.34 H new ATOM 0 HE1 PHE A 78 21.104 26.915 -6.210 1.00 42.44 H new ATOM 0 HE2 PHE A 78 22.374 27.276 -2.156 1.00 35.41 H new ATOM 0 HZ PHE A 78 21.762 28.323 -4.300 1.00 42.13 H new ATOM 1172 N GLY A 79 19.858 20.724 -5.632 1.00 33.23 N ATOM 1173 CA GLY A 79 19.890 19.390 -6.203 1.00 22.14 C ATOM 1174 C GLY A 79 18.504 18.813 -6.407 1.00 34.33 C ATOM 1175 O GLY A 79 18.274 18.045 -7.342 1.00 60.21 O ATOM 0 H GLY A 79 19.455 21.439 -6.237 1.00 33.23 H new ATOM 0 HA2 GLY A 79 20.412 19.420 -7.159 1.00 22.14 H new ATOM 0 HA3 GLY A 79 20.461 18.732 -5.549 1.00 22.14 H new ATOM 1179 N LEU A 80 17.576 19.181 -5.529 1.00 64.44 N ATOM 1180 CA LEU A 80 16.204 18.693 -5.616 1.00 63.24 C ATOM 1181 C LEU A 80 15.497 19.272 -6.838 1.00 21.43 C ATOM 1182 O LEU A 80 15.955 20.250 -7.429 1.00 22.10 O ATOM 1183 CB LEU A 80 15.432 19.055 -4.347 1.00 20.34 C ATOM 1184 CG LEU A 80 14.306 18.099 -3.951 1.00 10.15 C ATOM 1185 CD1 LEU A 80 14.873 16.755 -3.522 1.00 71.50 C ATOM 1186 CD2 LEU A 80 13.461 18.703 -2.838 1.00 72.42 C ATOM 0 H LEU A 80 17.749 19.815 -4.749 1.00 64.44 H new ATOM 0 HA LEU A 80 16.236 17.608 -5.717 1.00 63.24 H new ATOM 0 HB2 LEU A 80 16.139 19.114 -3.520 1.00 20.34 H new ATOM 0 HB3 LEU A 80 15.008 20.051 -4.475 1.00 20.34 H new ATOM 0 HG LEU A 80 13.668 17.940 -4.820 1.00 10.15 H new ATOM 0 HD11 LEU A 80 14.057 16.088 -3.244 1.00 71.50 H new ATOM 0 HD12 LEU A 80 15.435 16.317 -4.347 1.00 71.50 H new ATOM 0 HD13 LEU A 80 15.534 16.895 -2.667 1.00 71.50 H new ATOM 0 HD21 LEU A 80 12.664 18.009 -2.569 1.00 72.42 H new ATOM 0 HD22 LEU A 80 14.088 18.892 -1.967 1.00 72.42 H new ATOM 0 HD23 LEU A 80 13.025 19.641 -3.181 1.00 72.42 H new ATOM 1198 N THR A 81 14.376 18.662 -7.210 1.00 71.12 N ATOM 1199 CA THR A 81 13.604 19.117 -8.360 1.00 23.31 C ATOM 1200 C THR A 81 12.673 20.261 -7.979 1.00 13.51 C ATOM 1201 O THR A 81 12.506 20.572 -6.799 1.00 54.03 O ATOM 1202 CB THR A 81 12.771 17.972 -8.966 1.00 31.43 C ATOM 1203 OG1 THR A 81 12.264 17.130 -7.924 1.00 11.33 O ATOM 1204 CG2 THR A 81 13.608 17.145 -9.930 1.00 31.40 C ATOM 0 H THR A 81 13.982 17.852 -6.732 1.00 71.12 H new ATOM 0 HA THR A 81 14.320 19.468 -9.103 1.00 23.31 H new ATOM 0 HB THR A 81 11.938 18.410 -9.516 1.00 31.43 H new ATOM 0 HG1 THR A 81 11.734 16.406 -8.318 1.00 11.33 H new ATOM 0 HG21 THR A 81 12.998 16.343 -10.345 1.00 31.40 H new ATOM 0 HG22 THR A 81 13.968 17.782 -10.738 1.00 31.40 H new ATOM 0 HG23 THR A 81 14.458 16.717 -9.399 1.00 31.40 H new ATOM 1212 N ASP A 82 12.068 20.885 -8.984 1.00 13.12 N ATOM 1213 CA ASP A 82 11.151 21.995 -8.753 1.00 54.34 C ATOM 1214 C ASP A 82 9.755 21.485 -8.409 1.00 71.35 C ATOM 1215 O ASP A 82 8.830 22.269 -8.196 1.00 74.02 O ATOM 1216 CB ASP A 82 11.088 22.897 -9.987 1.00 53.02 C ATOM 1217 CG ASP A 82 10.666 24.313 -9.648 1.00 42.32 C ATOM 1218 OD1 ASP A 82 11.505 25.070 -9.117 1.00 10.32 O ATOM 1219 OD2 ASP A 82 9.497 24.664 -9.914 1.00 3.55 O ATOM 0 H ASP A 82 12.196 20.641 -9.966 1.00 13.12 H new ATOM 0 HA ASP A 82 11.525 22.573 -7.908 1.00 54.34 H new ATOM 0 HB2 ASP A 82 12.066 22.918 -10.469 1.00 53.02 H new ATOM 0 HB3 ASP A 82 10.387 22.475 -10.707 1.00 53.02 H new ATOM 1224 N THR A 83 9.609 20.164 -8.358 1.00 41.21 N ATOM 1225 CA THR A 83 8.326 19.548 -8.043 1.00 4.53 C ATOM 1226 C THR A 83 8.315 18.999 -6.621 1.00 23.31 C ATOM 1227 O THR A 83 7.254 18.800 -6.030 1.00 73.35 O ATOM 1228 CB THR A 83 7.994 18.409 -9.024 1.00 73.12 C ATOM 1229 OG1 THR A 83 8.687 17.215 -8.642 1.00 53.53 O ATOM 1230 CG2 THR A 83 8.376 18.791 -10.446 1.00 63.42 C ATOM 0 H THR A 83 10.364 19.500 -8.531 1.00 41.21 H new ATOM 0 HA THR A 83 7.570 20.328 -8.135 1.00 4.53 H new ATOM 0 HB THR A 83 6.919 18.231 -8.989 1.00 73.12 H new ATOM 0 HG1 THR A 83 8.469 16.495 -9.270 1.00 53.53 H new ATOM 0 HG21 THR A 83 8.132 17.971 -11.121 1.00 63.42 H new ATOM 0 HG22 THR A 83 7.824 19.683 -10.744 1.00 63.42 H new ATOM 0 HG23 THR A 83 9.446 18.994 -10.493 1.00 63.42 H new ATOM 1238 N SER A 84 9.503 18.756 -6.076 1.00 20.20 N ATOM 1239 CA SER A 84 9.630 18.226 -4.723 1.00 75.34 C ATOM 1240 C SER A 84 9.816 19.354 -3.713 1.00 60.42 C ATOM 1241 O SER A 84 10.138 20.484 -4.080 1.00 71.35 O ATOM 1242 CB SER A 84 10.808 17.253 -4.642 1.00 54.02 C ATOM 1243 OG SER A 84 11.060 16.869 -3.302 1.00 24.12 O ATOM 0 H SER A 84 10.391 18.918 -6.551 1.00 20.20 H new ATOM 0 HA SER A 84 8.711 17.693 -4.480 1.00 75.34 H new ATOM 0 HB2 SER A 84 10.596 16.369 -5.243 1.00 54.02 H new ATOM 0 HB3 SER A 84 11.699 17.719 -5.064 1.00 54.02 H new ATOM 0 HG SER A 84 11.704 16.131 -3.289 1.00 24.12 H new ATOM 1249 N ARG A 85 9.611 19.038 -2.439 1.00 22.34 N ATOM 1250 CA ARG A 85 9.755 20.024 -1.374 1.00 61.24 C ATOM 1251 C ARG A 85 11.018 19.762 -0.558 1.00 54.42 C ATOM 1252 O ARG A 85 11.598 18.678 -0.623 1.00 22.13 O ATOM 1253 CB ARG A 85 8.529 20.001 -0.459 1.00 65.43 C ATOM 1254 CG ARG A 85 8.379 18.707 0.325 1.00 4.31 C ATOM 1255 CD ARG A 85 6.926 18.439 0.685 1.00 44.24 C ATOM 1256 NE ARG A 85 6.707 18.462 2.128 1.00 34.12 N ATOM 1257 CZ ARG A 85 6.553 19.579 2.831 1.00 61.22 C ATOM 1258 NH1 ARG A 85 6.595 20.758 2.225 1.00 32.45 N ATOM 1259 NH2 ARG A 85 6.357 19.518 4.142 1.00 71.33 N ATOM 0 H ARG A 85 9.345 18.107 -2.119 1.00 22.34 H new ATOM 0 HA ARG A 85 9.838 21.009 -1.833 1.00 61.24 H new ATOM 0 HB2 ARG A 85 8.592 20.835 0.240 1.00 65.43 H new ATOM 0 HB3 ARG A 85 7.634 20.157 -1.061 1.00 65.43 H new ATOM 0 HG2 ARG A 85 8.768 17.876 -0.264 1.00 4.31 H new ATOM 0 HG3 ARG A 85 8.977 18.760 1.235 1.00 4.31 H new ATOM 0 HD2 ARG A 85 6.291 19.187 0.210 1.00 44.24 H new ATOM 0 HD3 ARG A 85 6.627 17.469 0.288 1.00 44.24 H new ATOM 0 HE ARG A 85 6.670 17.572 2.624 1.00 34.12 H new ATOM 0 HH11 ARG A 85 6.746 20.808 1.217 1.00 32.45 H new ATOM 0 HH12 ARG A 85 6.477 21.614 2.766 1.00 32.45 H new ATOM 0 HH21 ARG A 85 6.324 18.613 4.611 1.00 71.33 H new ATOM 0 HH22 ARG A 85 6.239 20.376 4.680 1.00 71.33 H new ATOM 1273 N LEU A 86 11.438 20.763 0.208 1.00 33.34 N ATOM 1274 CA LEU A 86 12.632 20.642 1.037 1.00 30.25 C ATOM 1275 C LEU A 86 12.578 19.377 1.889 1.00 0.51 C ATOM 1276 O LEU A 86 11.508 18.813 2.114 1.00 41.32 O ATOM 1277 CB LEU A 86 12.779 21.870 1.937 1.00 52.31 C ATOM 1278 CG LEU A 86 14.094 21.983 2.710 1.00 55.25 C ATOM 1279 CD1 LEU A 86 15.279 21.915 1.759 1.00 12.40 C ATOM 1280 CD2 LEU A 86 14.128 23.272 3.517 1.00 5.43 C ATOM 0 H LEU A 86 10.970 21.667 0.272 1.00 33.34 H new ATOM 0 HA LEU A 86 13.497 20.577 0.377 1.00 30.25 H new ATOM 0 HB2 LEU A 86 12.665 22.762 1.322 1.00 52.31 H new ATOM 0 HB3 LEU A 86 11.958 21.870 2.654 1.00 52.31 H new ATOM 0 HG LEU A 86 14.161 21.143 3.402 1.00 55.25 H new ATOM 0 HD11 LEU A 86 16.206 21.997 2.326 1.00 12.40 H new ATOM 0 HD12 LEU A 86 15.263 20.965 1.225 1.00 12.40 H new ATOM 0 HD13 LEU A 86 15.218 22.734 1.043 1.00 12.40 H new ATOM 0 HD21 LEU A 86 15.071 23.336 4.061 1.00 5.43 H new ATOM 0 HD22 LEU A 86 14.038 24.125 2.844 1.00 5.43 H new ATOM 0 HD23 LEU A 86 13.299 23.280 4.225 1.00 5.43 H new ATOM 1292 N GLY A 87 13.741 18.939 2.363 1.00 75.35 N ATOM 1293 CA GLY A 87 13.803 17.745 3.186 1.00 3.40 C ATOM 1294 C GLY A 87 13.312 16.511 2.456 1.00 15.15 C ATOM 1295 O GLY A 87 12.315 15.904 2.851 1.00 1.32 O ATOM 0 H GLY A 87 14.640 19.389 2.192 1.00 75.35 H new ATOM 0 HA2 GLY A 87 14.831 17.585 3.512 1.00 3.40 H new ATOM 0 HA3 GLY A 87 13.203 17.895 4.084 1.00 3.40 H new ATOM 1299 N CYS A 88 14.010 16.139 1.389 1.00 14.43 N ATOM 1300 CA CYS A 88 13.637 14.970 0.601 1.00 54.21 C ATOM 1301 C CYS A 88 14.658 14.710 -0.502 1.00 31.55 C ATOM 1302 O CYS A 88 15.485 15.567 -0.809 1.00 40.22 O ATOM 1303 CB CYS A 88 12.247 15.163 -0.009 1.00 65.42 C ATOM 1304 SG CYS A 88 11.330 13.624 -0.255 1.00 52.22 S ATOM 0 H CYS A 88 14.837 16.630 1.050 1.00 14.43 H new ATOM 0 HA CYS A 88 13.618 14.106 1.265 1.00 54.21 H new ATOM 0 HB2 CYS A 88 11.666 15.820 0.638 1.00 65.42 H new ATOM 0 HB3 CYS A 88 12.350 15.670 -0.969 1.00 65.42 H new ATOM 0 HG CYS A 88 10.167 13.890 -0.772 1.00 52.22 H new ATOM 1310 N GLN A 89 14.594 13.520 -1.091 1.00 23.23 N ATOM 1311 CA GLN A 89 15.516 13.146 -2.157 1.00 75.22 C ATOM 1312 C GLN A 89 14.755 12.736 -3.414 1.00 44.34 C ATOM 1313 O GLN A 89 15.259 11.966 -4.232 1.00 61.14 O ATOM 1314 CB GLN A 89 16.422 12.002 -1.699 1.00 73.33 C ATOM 1315 CG GLN A 89 15.676 10.879 -0.997 1.00 32.14 C ATOM 1316 CD GLN A 89 16.488 9.602 -0.913 1.00 71.51 C ATOM 1317 OE1 GLN A 89 16.723 8.935 -1.921 1.00 64.13 O ATOM 1318 NE2 GLN A 89 16.922 9.253 0.293 1.00 54.14 N ATOM 0 H GLN A 89 13.914 12.799 -0.848 1.00 23.23 H new ATOM 0 HA GLN A 89 16.131 14.014 -2.393 1.00 75.22 H new ATOM 0 HB2 GLN A 89 16.944 11.594 -2.565 1.00 73.33 H new ATOM 0 HB3 GLN A 89 17.182 12.399 -1.026 1.00 73.33 H new ATOM 0 HG2 GLN A 89 15.406 11.200 0.009 1.00 32.14 H new ATOM 0 HG3 GLN A 89 14.745 10.679 -1.528 1.00 32.14 H new ATOM 0 HE21 GLN A 89 16.704 9.835 1.102 1.00 54.14 H new ATOM 0 HE22 GLN A 89 17.473 8.403 0.410 1.00 54.14 H new ATOM 1327 N ILE A 90 13.541 13.256 -3.561 1.00 64.14 N ATOM 1328 CA ILE A 90 12.713 12.944 -4.719 1.00 53.43 C ATOM 1329 C ILE A 90 12.396 11.454 -4.784 1.00 11.13 C ATOM 1330 O ILE A 90 12.834 10.755 -5.698 1.00 4.13 O ATOM 1331 CB ILE A 90 13.397 13.370 -6.032 1.00 31.50 C ATOM 1332 CG1 ILE A 90 14.155 14.684 -5.835 1.00 53.11 C ATOM 1333 CG2 ILE A 90 12.369 13.506 -7.145 1.00 51.01 C ATOM 1334 CD1 ILE A 90 14.798 15.206 -7.101 1.00 15.42 C ATOM 0 H ILE A 90 13.109 13.895 -2.893 1.00 64.14 H new ATOM 0 HA ILE A 90 11.786 13.505 -4.603 1.00 53.43 H new ATOM 0 HB ILE A 90 14.113 12.599 -6.318 1.00 31.50 H new ATOM 0 HG12 ILE A 90 13.467 15.437 -5.449 1.00 53.11 H new ATOM 0 HG13 ILE A 90 14.926 14.539 -5.078 1.00 53.11 H new ATOM 0 HG21 ILE A 90 12.868 13.808 -8.066 1.00 51.01 H new ATOM 0 HG22 ILE A 90 11.870 12.549 -7.299 1.00 51.01 H new ATOM 0 HG23 ILE A 90 11.631 14.259 -6.869 1.00 51.01 H new ATOM 0 HD11 ILE A 90 15.318 16.140 -6.887 1.00 15.42 H new ATOM 0 HD12 ILE A 90 15.511 14.472 -7.476 1.00 15.42 H new ATOM 0 HD13 ILE A 90 14.029 15.383 -7.853 1.00 15.42 H new ATOM 1346 N ILE A 91 11.631 10.975 -3.809 1.00 34.10 N ATOM 1347 CA ILE A 91 11.253 9.568 -3.757 1.00 14.22 C ATOM 1348 C ILE A 91 9.740 9.402 -3.852 1.00 33.34 C ATOM 1349 O ILE A 91 9.020 9.600 -2.872 1.00 74.31 O ATOM 1350 CB ILE A 91 11.751 8.899 -2.462 1.00 63.15 C ATOM 1351 CG1 ILE A 91 11.546 9.833 -1.268 1.00 23.31 C ATOM 1352 CG2 ILE A 91 13.217 8.515 -2.596 1.00 23.41 C ATOM 1353 CD1 ILE A 91 11.934 9.213 0.057 1.00 53.33 C ATOM 0 H ILE A 91 11.261 11.540 -3.045 1.00 34.10 H new ATOM 0 HA ILE A 91 11.724 9.082 -4.612 1.00 14.22 H new ATOM 0 HB ILE A 91 11.171 7.992 -2.292 1.00 63.15 H new ATOM 0 HG12 ILE A 91 12.132 10.740 -1.421 1.00 23.31 H new ATOM 0 HG13 ILE A 91 10.499 10.133 -1.227 1.00 23.31 H new ATOM 0 HG21 ILE A 91 13.555 8.043 -1.673 1.00 23.41 H new ATOM 0 HG22 ILE A 91 13.336 7.817 -3.425 1.00 23.41 H new ATOM 0 HG23 ILE A 91 13.811 9.409 -2.786 1.00 23.41 H new ATOM 0 HD11 ILE A 91 11.763 9.931 0.859 1.00 53.33 H new ATOM 0 HD12 ILE A 91 11.331 8.322 0.232 1.00 53.33 H new ATOM 0 HD13 ILE A 91 12.989 8.938 0.035 1.00 53.33 H new ATOM 1365 N LEU A 92 9.264 9.035 -5.036 1.00 73.13 N ATOM 1366 CA LEU A 92 7.835 8.839 -5.260 1.00 5.13 C ATOM 1367 C LEU A 92 7.233 7.946 -4.180 1.00 12.01 C ATOM 1368 O LEU A 92 7.946 7.208 -3.499 1.00 71.12 O ATOM 1369 CB LEU A 92 7.595 8.224 -6.639 1.00 74.04 C ATOM 1370 CG LEU A 92 8.604 7.167 -7.089 1.00 3.14 C ATOM 1371 CD1 LEU A 92 7.892 5.992 -7.741 1.00 45.10 C ATOM 1372 CD2 LEU A 92 9.622 7.774 -8.044 1.00 31.43 C ATOM 0 H LEU A 92 9.846 8.867 -5.857 1.00 73.13 H new ATOM 0 HA LEU A 92 7.347 9.813 -5.214 1.00 5.13 H new ATOM 0 HB2 LEU A 92 6.602 7.775 -6.646 1.00 74.04 H new ATOM 0 HB3 LEU A 92 7.587 9.027 -7.376 1.00 74.04 H new ATOM 0 HG LEU A 92 9.134 6.801 -6.210 1.00 3.14 H new ATOM 0 HD11 LEU A 92 8.626 5.250 -8.055 1.00 45.10 H new ATOM 0 HD12 LEU A 92 7.204 5.541 -7.026 1.00 45.10 H new ATOM 0 HD13 LEU A 92 7.335 6.341 -8.610 1.00 45.10 H new ATOM 0 HD21 LEU A 92 10.332 7.007 -8.354 1.00 31.43 H new ATOM 0 HD22 LEU A 92 9.108 8.169 -8.921 1.00 31.43 H new ATOM 0 HD23 LEU A 92 10.155 8.581 -7.542 1.00 31.43 H new ATOM 1384 N THR A 93 5.914 8.016 -4.029 1.00 53.21 N ATOM 1385 CA THR A 93 5.215 7.214 -3.033 1.00 75.15 C ATOM 1386 C THR A 93 3.840 6.789 -3.536 1.00 54.34 C ATOM 1387 O THR A 93 3.275 7.414 -4.435 1.00 2.02 O ATOM 1388 CB THR A 93 5.049 7.982 -1.708 1.00 63.24 C ATOM 1389 OG1 THR A 93 3.887 7.516 -1.014 1.00 54.32 O ATOM 1390 CG2 THR A 93 4.931 9.477 -1.961 1.00 14.32 C ATOM 0 H THR A 93 5.308 8.620 -4.584 1.00 53.21 H new ATOM 0 HA THR A 93 5.825 6.328 -2.857 1.00 75.15 H new ATOM 0 HB THR A 93 5.933 7.802 -1.096 1.00 63.24 H new ATOM 0 HG1 THR A 93 3.790 8.008 -0.172 1.00 54.32 H new ATOM 0 HG21 THR A 93 4.815 9.999 -1.011 1.00 14.32 H new ATOM 0 HG22 THR A 93 5.831 9.833 -2.463 1.00 14.32 H new ATOM 0 HG23 THR A 93 4.063 9.672 -2.591 1.00 14.32 H new ATOM 1398 N LYS A 94 3.304 5.723 -2.951 1.00 40.25 N ATOM 1399 CA LYS A 94 1.993 5.215 -3.338 1.00 43.24 C ATOM 1400 C LYS A 94 0.893 6.201 -2.958 1.00 5.22 C ATOM 1401 O LYS A 94 -0.251 6.065 -3.390 1.00 24.14 O ATOM 1402 CB LYS A 94 1.732 3.862 -2.674 1.00 33.41 C ATOM 1403 CG LYS A 94 1.001 3.967 -1.346 1.00 61.24 C ATOM 1404 CD LYS A 94 1.358 2.816 -0.421 1.00 33.31 C ATOM 1405 CE LYS A 94 0.425 1.631 -0.620 1.00 64.35 C ATOM 1406 NZ LYS A 94 -0.945 1.911 -0.110 1.00 11.00 N ATOM 0 H LYS A 94 3.758 5.194 -2.206 1.00 40.25 H new ATOM 0 HA LYS A 94 1.985 5.089 -4.421 1.00 43.24 H new ATOM 0 HB2 LYS A 94 1.148 3.240 -3.353 1.00 33.41 H new ATOM 0 HB3 LYS A 94 2.684 3.354 -2.516 1.00 33.41 H new ATOM 0 HG2 LYS A 94 1.252 4.913 -0.865 1.00 61.24 H new ATOM 0 HG3 LYS A 94 -0.075 3.974 -1.521 1.00 61.24 H new ATOM 0 HD2 LYS A 94 2.387 2.506 -0.605 1.00 33.31 H new ATOM 0 HD3 LYS A 94 1.307 3.151 0.615 1.00 33.31 H new ATOM 0 HE2 LYS A 94 0.374 1.383 -1.680 1.00 64.35 H new ATOM 0 HE3 LYS A 94 0.832 0.759 -0.108 1.00 64.35 H new ATOM 0 HZ1 LYS A 94 -1.445 1.014 0.053 1.00 11.00 H new ATOM 0 HZ2 LYS A 94 -0.882 2.439 0.784 1.00 11.00 H new ATOM 0 HZ3 LYS A 94 -1.467 2.476 -0.810 1.00 11.00 H new ATOM 1420 N GLU A 95 1.249 7.194 -2.148 1.00 41.14 N ATOM 1421 CA GLU A 95 0.291 8.203 -1.711 1.00 61.23 C ATOM 1422 C GLU A 95 -0.378 8.872 -2.908 1.00 53.22 C ATOM 1423 O GLU A 95 -1.473 9.426 -2.793 1.00 25.13 O ATOM 1424 CB GLU A 95 0.985 9.257 -0.846 1.00 64.50 C ATOM 1425 CG GLU A 95 0.995 8.917 0.635 1.00 5.51 C ATOM 1426 CD GLU A 95 -0.275 9.349 1.341 1.00 12.20 C ATOM 1427 OE1 GLU A 95 -1.120 10.004 0.696 1.00 71.35 O ATOM 1428 OE2 GLU A 95 -0.424 9.032 2.540 1.00 73.43 O ATOM 0 H GLU A 95 2.192 7.321 -1.782 1.00 41.14 H new ATOM 0 HA GLU A 95 -0.477 7.706 -1.118 1.00 61.23 H new ATOM 0 HB2 GLU A 95 2.012 9.378 -1.190 1.00 64.50 H new ATOM 0 HB3 GLU A 95 0.487 10.216 -0.987 1.00 64.50 H new ATOM 0 HG2 GLU A 95 1.126 7.842 0.756 1.00 5.51 H new ATOM 0 HG3 GLU A 95 1.851 9.398 1.109 1.00 5.51 H new ATOM 1435 N LEU A 96 0.287 8.818 -4.057 1.00 13.01 N ATOM 1436 CA LEU A 96 -0.242 9.419 -5.276 1.00 54.23 C ATOM 1437 C LEU A 96 -1.017 8.393 -6.098 1.00 3.34 C ATOM 1438 O LEU A 96 -1.133 8.519 -7.317 1.00 11.43 O ATOM 1439 CB LEU A 96 0.895 10.006 -6.114 1.00 11.41 C ATOM 1440 CG LEU A 96 1.792 11.025 -5.408 1.00 75.54 C ATOM 1441 CD1 LEU A 96 3.095 10.375 -4.970 1.00 71.14 C ATOM 1442 CD2 LEU A 96 2.065 12.214 -6.317 1.00 44.11 C ATOM 0 H LEU A 96 1.193 8.364 -4.170 1.00 13.01 H new ATOM 0 HA LEU A 96 -0.925 10.219 -4.990 1.00 54.23 H new ATOM 0 HB2 LEU A 96 1.520 9.186 -6.468 1.00 11.41 H new ATOM 0 HB3 LEU A 96 0.463 10.481 -6.995 1.00 11.41 H new ATOM 0 HG LEU A 96 1.273 11.385 -4.519 1.00 75.54 H new ATOM 0 HD11 LEU A 96 3.720 11.114 -4.470 1.00 71.14 H new ATOM 0 HD12 LEU A 96 2.880 9.557 -4.283 1.00 71.14 H new ATOM 0 HD13 LEU A 96 3.620 9.987 -5.843 1.00 71.14 H new ATOM 0 HD21 LEU A 96 2.704 12.929 -5.799 1.00 44.11 H new ATOM 0 HD22 LEU A 96 2.564 11.872 -7.224 1.00 44.11 H new ATOM 0 HD23 LEU A 96 1.123 12.695 -6.580 1.00 44.11 H new ATOM 1454 N ASP A 97 -1.546 7.380 -5.421 1.00 61.35 N ATOM 1455 CA ASP A 97 -2.313 6.333 -6.088 1.00 5.31 C ATOM 1456 C ASP A 97 -3.479 6.929 -6.871 1.00 24.23 C ATOM 1457 O ASP A 97 -4.376 7.543 -6.296 1.00 10.32 O ATOM 1458 CB ASP A 97 -2.832 5.322 -5.065 1.00 14.22 C ATOM 1459 CG ASP A 97 -3.814 5.939 -4.088 1.00 41.30 C ATOM 1460 OD1 ASP A 97 -3.372 6.709 -3.209 1.00 31.33 O ATOM 1461 OD2 ASP A 97 -5.024 5.654 -4.203 1.00 61.23 O ATOM 0 H ASP A 97 -1.458 7.261 -4.412 1.00 61.35 H new ATOM 0 HA ASP A 97 -1.652 5.822 -6.789 1.00 5.31 H new ATOM 0 HB2 ASP A 97 -3.314 4.496 -5.587 1.00 14.22 H new ATOM 0 HB3 ASP A 97 -1.990 4.903 -4.514 1.00 14.22 H new ATOM 1466 N GLY A 98 -3.458 6.743 -8.187 1.00 44.01 N ATOM 1467 CA GLY A 98 -4.517 7.269 -9.028 1.00 34.15 C ATOM 1468 C GLY A 98 -4.294 8.720 -9.403 1.00 4.32 C ATOM 1469 O GLY A 98 -5.044 9.287 -10.199 1.00 32.45 O ATOM 0 H GLY A 98 -2.726 6.237 -8.686 1.00 44.01 H new ATOM 0 HA2 GLY A 98 -4.587 6.669 -9.935 1.00 34.15 H new ATOM 0 HA3 GLY A 98 -5.470 7.174 -8.508 1.00 34.15 H new ATOM 1473 N LEU A 99 -3.260 9.325 -8.828 1.00 41.54 N ATOM 1474 CA LEU A 99 -2.940 10.721 -9.106 1.00 2.52 C ATOM 1475 C LEU A 99 -1.889 10.831 -10.206 1.00 22.02 C ATOM 1476 O LEU A 99 -1.003 9.982 -10.319 1.00 12.54 O ATOM 1477 CB LEU A 99 -2.439 11.412 -7.836 1.00 55.50 C ATOM 1478 CG LEU A 99 -3.504 12.108 -6.987 1.00 2.14 C ATOM 1479 CD1 LEU A 99 -2.894 12.643 -5.700 1.00 51.54 C ATOM 1480 CD2 LEU A 99 -4.164 13.231 -7.774 1.00 33.45 C ATOM 0 H LEU A 99 -2.629 8.871 -8.167 1.00 41.54 H new ATOM 0 HA LEU A 99 -3.849 11.215 -9.448 1.00 2.52 H new ATOM 0 HB2 LEU A 99 -1.937 10.669 -7.216 1.00 55.50 H new ATOM 0 HB3 LEU A 99 -1.689 12.150 -8.120 1.00 55.50 H new ATOM 0 HG LEU A 99 -4.269 11.377 -6.726 1.00 2.14 H new ATOM 0 HD11 LEU A 99 -3.666 13.135 -5.108 1.00 51.54 H new ATOM 0 HD12 LEU A 99 -2.469 11.818 -5.128 1.00 51.54 H new ATOM 0 HD13 LEU A 99 -2.109 13.360 -5.940 1.00 51.54 H new ATOM 0 HD21 LEU A 99 -4.919 13.715 -7.154 1.00 33.45 H new ATOM 0 HD22 LEU A 99 -3.410 13.963 -8.065 1.00 33.45 H new ATOM 0 HD23 LEU A 99 -4.636 12.821 -8.667 1.00 33.45 H new ATOM 1492 N CYS A 100 -1.992 11.881 -11.013 1.00 2.14 N ATOM 1493 CA CYS A 100 -1.049 12.103 -12.103 1.00 71.34 C ATOM 1494 C CYS A 100 -0.040 13.187 -11.738 1.00 74.03 C ATOM 1495 O CYS A 100 -0.415 14.289 -11.339 1.00 13.43 O ATOM 1496 CB CYS A 100 -1.796 12.493 -13.380 1.00 31.15 C ATOM 1497 SG CYS A 100 -2.849 13.952 -13.202 1.00 2.23 S ATOM 0 H CYS A 100 -2.719 12.592 -10.933 1.00 2.14 H new ATOM 0 HA CYS A 100 -0.508 11.173 -12.277 1.00 71.34 H new ATOM 0 HB2 CYS A 100 -1.069 12.677 -14.172 1.00 31.15 H new ATOM 0 HB3 CYS A 100 -2.410 11.652 -13.700 1.00 31.15 H new ATOM 0 HG CYS A 100 -2.352 14.737 -12.293 1.00 2.23 H new ATOM 1503 N VAL A 101 1.242 12.866 -11.877 1.00 20.21 N ATOM 1504 CA VAL A 101 2.306 13.812 -11.561 1.00 75.03 C ATOM 1505 C VAL A 101 3.429 13.738 -12.589 1.00 4.33 C ATOM 1506 O VAL A 101 3.482 12.814 -13.400 1.00 65.41 O ATOM 1507 CB VAL A 101 2.889 13.554 -10.159 1.00 73.33 C ATOM 1508 CG1 VAL A 101 1.820 13.744 -9.093 1.00 64.42 C ATOM 1509 CG2 VAL A 101 3.489 12.158 -10.081 1.00 43.33 C ATOM 0 H VAL A 101 1.569 11.958 -12.206 1.00 20.21 H new ATOM 0 HA VAL A 101 1.862 14.807 -11.583 1.00 75.03 H new ATOM 0 HB VAL A 101 3.684 14.277 -9.976 1.00 73.33 H new ATOM 0 HG11 VAL A 101 2.250 13.558 -8.109 1.00 64.42 H new ATOM 0 HG12 VAL A 101 1.441 14.765 -9.136 1.00 64.42 H new ATOM 0 HG13 VAL A 101 1.002 13.046 -9.270 1.00 64.42 H new ATOM 0 HG21 VAL A 101 3.896 11.992 -9.084 1.00 43.33 H new ATOM 0 HG22 VAL A 101 2.715 11.418 -10.285 1.00 43.33 H new ATOM 0 HG23 VAL A 101 4.286 12.063 -10.819 1.00 43.33 H new ATOM 1519 N ILE A 102 4.326 14.718 -12.548 1.00 22.14 N ATOM 1520 CA ILE A 102 5.450 14.763 -13.474 1.00 64.02 C ATOM 1521 C ILE A 102 6.618 13.927 -12.963 1.00 24.25 C ATOM 1522 O ILE A 102 6.802 13.770 -11.755 1.00 0.14 O ATOM 1523 CB ILE A 102 5.931 16.208 -13.707 1.00 31.35 C ATOM 1524 CG1 ILE A 102 4.758 17.098 -14.121 1.00 13.10 C ATOM 1525 CG2 ILE A 102 7.025 16.238 -14.763 1.00 3.51 C ATOM 1526 CD1 ILE A 102 4.106 16.674 -15.419 1.00 3.13 C ATOM 0 H ILE A 102 4.296 15.491 -11.883 1.00 22.14 H new ATOM 0 HA ILE A 102 5.096 14.350 -14.419 1.00 64.02 H new ATOM 0 HB ILE A 102 6.343 16.593 -12.774 1.00 31.35 H new ATOM 0 HG12 ILE A 102 4.010 17.091 -13.329 1.00 13.10 H new ATOM 0 HG13 ILE A 102 5.109 18.125 -14.219 1.00 13.10 H new ATOM 0 HG21 ILE A 102 7.354 17.266 -14.916 1.00 3.51 H new ATOM 0 HG22 ILE A 102 7.868 15.632 -14.431 1.00 3.51 H new ATOM 0 HG23 ILE A 102 6.638 15.837 -15.700 1.00 3.51 H new ATOM 0 HD11 ILE A 102 3.283 17.350 -15.650 1.00 3.13 H new ATOM 0 HD12 ILE A 102 4.841 16.709 -16.223 1.00 3.13 H new ATOM 0 HD13 ILE A 102 3.724 15.658 -15.320 1.00 3.13 H new ATOM 1538 N LEU A 103 7.407 13.393 -13.889 1.00 30.13 N ATOM 1539 CA LEU A 103 8.560 12.573 -13.532 1.00 50.40 C ATOM 1540 C LEU A 103 9.575 13.382 -12.730 1.00 63.44 C ATOM 1541 O LEU A 103 9.726 14.590 -12.912 1.00 20.02 O ATOM 1542 CB LEU A 103 9.220 12.010 -14.792 1.00 53.40 C ATOM 1543 CG LEU A 103 8.292 11.291 -15.771 1.00 74.33 C ATOM 1544 CD1 LEU A 103 8.458 11.852 -17.175 1.00 31.01 C ATOM 1545 CD2 LEU A 103 8.561 9.793 -15.758 1.00 53.04 C ATOM 0 H LEU A 103 7.270 13.513 -14.893 1.00 30.13 H new ATOM 0 HA LEU A 103 8.210 11.747 -12.913 1.00 50.40 H new ATOM 0 HB2 LEU A 103 9.708 12.830 -15.320 1.00 53.40 H new ATOM 0 HB3 LEU A 103 10.003 11.316 -14.488 1.00 53.40 H new ATOM 0 HG LEU A 103 7.262 11.458 -15.455 1.00 74.33 H new ATOM 0 HD11 LEU A 103 7.789 11.328 -17.858 1.00 31.01 H new ATOM 0 HD12 LEU A 103 8.215 12.915 -17.173 1.00 31.01 H new ATOM 0 HD13 LEU A 103 9.489 11.716 -17.501 1.00 31.01 H new ATOM 0 HD21 LEU A 103 7.891 9.297 -16.461 1.00 53.04 H new ATOM 0 HD22 LEU A 103 9.595 9.606 -16.049 1.00 53.04 H new ATOM 0 HD23 LEU A 103 8.390 9.401 -14.755 1.00 53.04 H new ATOM 1557 N PRO A 104 10.291 12.700 -11.823 1.00 51.23 N ATOM 1558 CA PRO A 104 11.307 13.334 -10.978 1.00 13.32 C ATOM 1559 C PRO A 104 12.537 13.762 -11.771 1.00 54.11 C ATOM 1560 O PRO A 104 13.008 14.893 -11.645 1.00 72.11 O ATOM 1561 CB PRO A 104 11.672 12.235 -9.977 1.00 14.11 C ATOM 1562 CG PRO A 104 11.351 10.961 -10.680 1.00 12.34 C ATOM 1563 CD PRO A 104 10.164 11.258 -11.554 1.00 11.12 C ATOM 0 HA PRO A 104 10.937 14.248 -10.513 1.00 13.32 H new ATOM 0 HB2 PRO A 104 12.726 12.282 -9.704 1.00 14.11 H new ATOM 0 HB3 PRO A 104 11.100 12.333 -9.055 1.00 14.11 H new ATOM 0 HG2 PRO A 104 12.198 10.620 -11.275 1.00 12.34 H new ATOM 0 HG3 PRO A 104 11.122 10.169 -9.967 1.00 12.34 H new ATOM 0 HD2 PRO A 104 10.186 10.674 -12.474 1.00 11.12 H new ATOM 0 HD3 PRO A 104 9.226 11.024 -11.051 1.00 11.12 H new ATOM 1571 N THR A 105 13.053 12.851 -12.590 1.00 5.10 N ATOM 1572 CA THR A 105 14.229 13.134 -13.403 1.00 62.15 C ATOM 1573 C THR A 105 14.346 12.150 -14.562 1.00 53.21 C ATOM 1574 O THR A 105 13.542 11.227 -14.687 1.00 21.34 O ATOM 1575 CB THR A 105 15.520 13.077 -12.565 1.00 32.34 C ATOM 1576 OG1 THR A 105 15.202 13.158 -11.171 1.00 20.33 O ATOM 1577 CG2 THR A 105 16.461 14.210 -12.942 1.00 42.40 C ATOM 0 H THR A 105 12.675 11.911 -12.708 1.00 5.10 H new ATOM 0 HA THR A 105 14.105 14.143 -13.796 1.00 62.15 H new ATOM 0 HB THR A 105 16.018 12.130 -12.770 1.00 32.34 H new ATOM 0 HG1 THR A 105 16.028 13.120 -10.644 1.00 20.33 H new ATOM 0 HG21 THR A 105 17.365 14.148 -12.337 1.00 42.40 H new ATOM 0 HG22 THR A 105 16.724 14.129 -13.997 1.00 42.40 H new ATOM 0 HG23 THR A 105 15.969 15.166 -12.763 1.00 42.40 H new ATOM 1585 N GLU A 106 15.351 12.354 -15.407 1.00 45.40 N ATOM 1586 CA GLU A 106 15.572 11.484 -16.556 1.00 32.00 C ATOM 1587 C GLU A 106 15.752 10.034 -16.114 1.00 15.51 C ATOM 1588 O GLU A 106 16.655 9.716 -15.340 1.00 13.34 O ATOM 1589 CB GLU A 106 16.800 11.944 -17.344 1.00 53.15 C ATOM 1590 CG GLU A 106 18.052 12.082 -16.495 1.00 61.41 C ATOM 1591 CD GLU A 106 19.223 12.654 -17.271 1.00 31.35 C ATOM 1592 OE1 GLU A 106 19.111 13.798 -17.756 1.00 40.43 O ATOM 1593 OE2 GLU A 106 20.252 11.956 -17.391 1.00 74.30 O ATOM 0 H GLU A 106 16.025 13.114 -15.318 1.00 45.40 H new ATOM 0 HA GLU A 106 14.694 11.544 -17.199 1.00 32.00 H new ATOM 0 HB2 GLU A 106 16.993 11.233 -18.147 1.00 53.15 H new ATOM 0 HB3 GLU A 106 16.582 12.903 -17.813 1.00 53.15 H new ATOM 0 HG2 GLU A 106 17.838 12.725 -15.641 1.00 61.41 H new ATOM 0 HG3 GLU A 106 18.327 11.105 -16.098 1.00 61.41 H new