USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.06 (180deg=-0.231) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 174:sc= -1.07 USER MOD Single : A 39 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.3) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 62 ASN : amide:sc= -0.342 K(o=-0.34,f=-2.2) USER MOD Single : A 72 THR OG1 : rot -47:sc= 0.671 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.770 -9.511 4.191 1.00 0.00 N ATOM 2 CA MET A 1 2.421 -9.849 3.656 1.00 0.00 C ATOM 3 C MET A 1 1.361 -8.868 4.165 1.00 0.00 C ATOM 4 O MET A 1 0.236 -9.263 4.489 1.00 0.00 O ATOM 5 CB MET A 1 2.074 -11.283 4.081 1.00 0.00 C ATOM 6 CG MET A 1 1.676 -12.185 2.925 1.00 0.00 C ATOM 7 SD MET A 1 2.085 -13.916 3.218 1.00 0.00 S ATOM 8 CE MET A 1 0.502 -14.696 2.917 1.00 0.00 C ATOM 0 H1 MET A 1 4.425 -10.296 4.001 1.00 0.00 H new ATOM 0 H2 MET A 1 4.120 -8.648 3.729 1.00 0.00 H new ATOM 0 H3 MET A 1 3.707 -9.353 5.217 1.00 0.00 H new ATOM 0 HA MET A 1 2.435 -9.774 2.569 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.933 -11.719 4.591 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.258 -11.251 4.803 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.604 -12.094 2.751 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.176 -11.847 2.017 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.594 -15.773 3.059 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.237 -14.300 3.613 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.184 -14.491 1.895 1.00 0.00 H new ATOM 20 N GLU A 2 1.729 -7.590 4.233 1.00 0.00 N ATOM 21 CA GLU A 2 0.819 -6.549 4.701 1.00 0.00 C ATOM 22 C GLU A 2 1.282 -5.168 4.239 1.00 0.00 C ATOM 23 O GLU A 2 2.368 -5.024 3.673 1.00 0.00 O ATOM 24 CB GLU A 2 0.722 -6.584 6.230 1.00 0.00 C ATOM 25 CG GLU A 2 2.070 -6.743 6.917 1.00 0.00 C ATOM 26 CD GLU A 2 2.071 -6.218 8.341 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.607 -5.081 8.561 1.00 0.00 O ATOM 28 OE2 GLU A 2 2.534 -6.948 9.239 1.00 0.00 O ATOM 0 H GLU A 2 2.654 -7.251 3.969 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.165 -6.740 4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.251 -5.665 6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.072 -7.407 6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.347 -7.797 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.831 -6.217 6.340 1.00 0.00 H new ATOM 35 N TRP A 3 0.454 -4.156 4.491 1.00 0.00 N ATOM 36 CA TRP A 3 0.769 -2.787 4.114 1.00 0.00 C ATOM 37 C TRP A 3 0.008 -1.802 4.998 1.00 0.00 C ATOM 38 O TRP A 3 -1.121 -2.071 5.411 1.00 0.00 O ATOM 39 CB TRP A 3 0.428 -2.544 2.638 1.00 0.00 C ATOM 40 CG TRP A 3 1.232 -1.441 2.013 1.00 0.00 C ATOM 41 CD1 TRP A 3 2.385 -0.890 2.496 1.00 0.00 C ATOM 42 CD2 TRP A 3 0.948 -0.761 0.785 1.00 0.00 C ATOM 43 NE1 TRP A 3 2.831 0.090 1.646 1.00 0.00 N ATOM 44 CE2 TRP A 3 1.967 0.191 0.591 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.068 -0.863 -0.169 1.00 0.00 C ATOM 46 CZ2 TRP A 3 1.999 1.033 -0.516 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -0.036 -0.024 -1.267 1.00 0.00 C ATOM 48 CH2 TRP A 3 0.992 0.912 -1.433 1.00 0.00 C ATOM 0 H TRP A 3 -0.446 -4.264 4.959 1.00 0.00 H new ATOM 0 HA TRP A 3 1.838 -2.630 4.255 1.00 0.00 H new ATOM 0 HB2 TRP A 3 0.592 -3.465 2.079 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.632 -2.304 2.553 1.00 0.00 H new ATOM 0 HD1 TRP A 3 2.874 -1.183 3.413 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.671 0.652 1.779 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.863 -1.584 -0.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 2.791 1.756 -0.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -0.817 -0.092 -2.010 1.00 0.00 H new ATOM 0 HH2 TRP A 3 0.989 1.552 -2.303 1.00 0.00 H new ATOM 59 N LYS A 4 0.631 -0.663 5.283 1.00 0.00 N ATOM 60 CA LYS A 4 0.015 0.369 6.112 1.00 0.00 C ATOM 61 C LYS A 4 0.286 1.744 5.519 1.00 0.00 C ATOM 62 O LYS A 4 1.352 1.979 4.955 1.00 0.00 O ATOM 63 CB LYS A 4 0.552 0.296 7.544 1.00 0.00 C ATOM 64 CG LYS A 4 -0.085 -0.804 8.381 1.00 0.00 C ATOM 65 CD LYS A 4 0.360 -0.728 9.834 1.00 0.00 C ATOM 66 CE LYS A 4 -0.805 -0.941 10.787 1.00 0.00 C ATOM 67 NZ LYS A 4 -0.431 -0.647 12.198 1.00 0.00 N ATOM 0 H LYS A 4 1.567 -0.430 4.951 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.062 0.200 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.630 0.137 7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.386 1.255 8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.171 -0.721 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.181 -1.777 7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.126 -1.481 10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.815 0.244 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.637 -0.302 10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.152 -1.971 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.253 -0.805 12.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.346 -1.274 12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.124 0.344 12.277 1.00 0.00 H new ATOM 81 N LEU A 5 -0.678 2.651 5.639 1.00 0.00 N ATOM 82 CA LEU A 5 -0.519 3.997 5.098 1.00 0.00 C ATOM 83 C LEU A 5 -0.989 5.055 6.092 1.00 0.00 C ATOM 84 O LEU A 5 -1.688 4.751 7.061 1.00 0.00 O ATOM 85 CB LEU A 5 -1.287 4.131 3.778 1.00 0.00 C ATOM 86 CG LEU A 5 -0.714 5.153 2.793 1.00 0.00 C ATOM 87 CD1 LEU A 5 -0.343 4.479 1.480 1.00 0.00 C ATOM 88 CD2 LEU A 5 -1.709 6.279 2.552 1.00 0.00 C ATOM 0 H LEU A 5 -1.571 2.481 6.102 1.00 0.00 H new ATOM 0 HA LEU A 5 0.542 4.161 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.314 3.156 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.318 4.404 4.002 1.00 0.00 H new ATOM 0 HG LEU A 5 0.190 5.580 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.063 5.221 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.405 3.708 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.231 4.024 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.284 6.996 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.630 5.868 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.926 6.781 3.495 1.00 0.00 H new ATOM 100 N PHE A 6 -0.598 6.304 5.845 1.00 0.00 N ATOM 101 CA PHE A 6 -0.979 7.414 6.710 1.00 0.00 C ATOM 102 C PHE A 6 -2.302 8.032 6.251 1.00 0.00 C ATOM 103 O PHE A 6 -2.806 7.713 5.172 1.00 0.00 O ATOM 104 CB PHE A 6 0.128 8.473 6.727 1.00 0.00 C ATOM 105 CG PHE A 6 0.140 9.321 7.969 1.00 0.00 C ATOM 106 CD1 PHE A 6 0.298 8.741 9.220 1.00 0.00 C ATOM 107 CD2 PHE A 6 -0.011 10.697 7.890 1.00 0.00 C ATOM 108 CE1 PHE A 6 0.305 9.516 10.363 1.00 0.00 C ATOM 109 CE2 PHE A 6 -0.004 11.476 9.030 1.00 0.00 C ATOM 110 CZ PHE A 6 0.155 10.885 10.268 1.00 0.00 C ATOM 0 H PHE A 6 -0.016 6.571 5.051 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.116 7.031 7.721 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.094 7.977 6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.012 9.120 5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.417 7.671 9.301 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.136 11.165 6.925 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.428 9.052 11.330 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.123 12.547 8.954 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.162 11.493 11.161 1.00 0.00 H new ATOM 120 N ALA A 7 -2.860 8.920 7.077 1.00 0.00 N ATOM 121 CA ALA A 7 -4.122 9.587 6.754 1.00 0.00 C ATOM 122 C ALA A 7 -3.957 10.617 5.631 1.00 0.00 C ATOM 123 O ALA A 7 -4.948 11.143 5.124 1.00 0.00 O ATOM 124 CB ALA A 7 -4.699 10.252 7.996 1.00 0.00 C ATOM 0 H ALA A 7 -2.458 9.193 7.974 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.813 8.823 6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.638 10.745 7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.881 9.498 8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.993 10.991 8.375 1.00 0.00 H new ATOM 130 N ASP A 8 -2.706 10.903 5.246 1.00 0.00 N ATOM 131 CA ASP A 8 -2.428 11.869 4.181 1.00 0.00 C ATOM 132 C ASP A 8 -3.219 11.541 2.917 1.00 0.00 C ATOM 133 O ASP A 8 -3.791 12.429 2.285 1.00 0.00 O ATOM 134 CB ASP A 8 -0.927 11.902 3.865 1.00 0.00 C ATOM 135 CG ASP A 8 -0.409 13.309 3.620 1.00 0.00 C ATOM 136 OD1 ASP A 8 -0.769 14.221 4.394 1.00 0.00 O ATOM 137 OD2 ASP A 8 0.359 13.497 2.653 1.00 0.00 O ATOM 0 H ASP A 8 -1.874 10.479 5.657 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.740 12.852 4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.376 11.456 4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.732 11.289 2.985 1.00 0.00 H new ATOM 142 N LEU A 9 -3.244 10.261 2.558 1.00 0.00 N ATOM 143 CA LEU A 9 -3.964 9.806 1.370 1.00 0.00 C ATOM 144 C LEU A 9 -5.234 9.042 1.752 1.00 0.00 C ATOM 145 O LEU A 9 -6.235 9.101 1.038 1.00 0.00 O ATOM 146 CB LEU A 9 -3.063 8.920 0.509 1.00 0.00 C ATOM 147 CG LEU A 9 -1.780 9.591 0.006 1.00 0.00 C ATOM 148 CD1 LEU A 9 -0.643 9.393 0.998 1.00 0.00 C ATOM 149 CD2 LEU A 9 -1.397 9.050 -1.365 1.00 0.00 C ATOM 0 H LEU A 9 -2.773 9.518 3.074 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.253 10.687 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.790 8.036 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.635 8.574 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.967 10.661 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.258 9.877 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.916 9.832 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.455 8.327 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.484 9.538 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.231 7.975 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.202 9.250 -2.073 1.00 0.00 H new ATOM 161 N ALA A 10 -5.190 8.329 2.882 1.00 0.00 N ATOM 162 CA ALA A 10 -6.343 7.558 3.352 1.00 0.00 C ATOM 163 C ALA A 10 -7.491 8.456 3.832 1.00 0.00 C ATOM 164 O ALA A 10 -8.577 7.962 4.134 1.00 0.00 O ATOM 165 CB ALA A 10 -5.925 6.607 4.463 1.00 0.00 C ATOM 0 H ALA A 10 -4.370 8.270 3.486 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.713 6.985 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.792 6.041 4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.167 5.920 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.516 7.178 5.296 1.00 0.00 H new ATOM 171 N GLU A 11 -7.255 9.770 3.902 1.00 0.00 N ATOM 172 CA GLU A 11 -8.286 10.710 4.341 1.00 0.00 C ATOM 173 C GLU A 11 -9.504 10.658 3.418 1.00 0.00 C ATOM 174 O GLU A 11 -10.644 10.713 3.882 1.00 0.00 O ATOM 175 CB GLU A 11 -7.729 12.135 4.389 1.00 0.00 C ATOM 176 CG GLU A 11 -7.790 12.763 5.772 1.00 0.00 C ATOM 177 CD GLU A 11 -7.647 14.274 5.741 1.00 0.00 C ATOM 178 OE1 GLU A 11 -8.349 14.924 4.936 1.00 0.00 O ATOM 179 OE2 GLU A 11 -6.836 14.808 6.526 1.00 0.00 O ATOM 0 H GLU A 11 -6.363 10.203 3.661 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.599 10.418 5.343 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.693 12.124 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.287 12.759 3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.738 12.502 6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.000 12.341 6.393 1.00 0.00 H new ATOM 186 N VAL A 12 -9.256 10.555 2.112 1.00 0.00 N ATOM 187 CA VAL A 12 -10.332 10.497 1.125 1.00 0.00 C ATOM 188 C VAL A 12 -10.682 9.054 0.761 1.00 0.00 C ATOM 189 O VAL A 12 -11.856 8.686 0.716 1.00 0.00 O ATOM 190 CB VAL A 12 -9.961 11.269 -0.159 1.00 0.00 C ATOM 191 CG1 VAL A 12 -11.165 11.376 -1.087 1.00 0.00 C ATOM 192 CG2 VAL A 12 -9.414 12.649 0.183 1.00 0.00 C ATOM 0 H VAL A 12 -8.318 10.510 1.714 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.202 10.967 1.584 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.180 10.715 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.884 11.923 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.503 10.377 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.971 11.905 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.158 13.177 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.169 13.215 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.522 12.544 0.801 1.00 0.00 H new ATOM 202 N ALA A 13 -9.658 8.241 0.492 1.00 0.00 N ATOM 203 CA ALA A 13 -9.863 6.838 0.124 1.00 0.00 C ATOM 204 C ALA A 13 -10.474 6.034 1.273 1.00 0.00 C ATOM 205 O ALA A 13 -11.418 5.271 1.071 1.00 0.00 O ATOM 206 CB ALA A 13 -8.551 6.209 -0.325 1.00 0.00 C ATOM 0 H ALA A 13 -8.680 8.529 0.522 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.569 6.816 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.721 5.167 -0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.165 6.749 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.826 6.260 0.488 1.00 0.00 H new ATOM 212 N GLY A 14 -9.923 6.206 2.477 1.00 0.00 N ATOM 213 CA GLY A 14 -10.420 5.485 3.638 1.00 0.00 C ATOM 214 C GLY A 14 -9.783 4.112 3.800 1.00 0.00 C ATOM 215 O GLY A 14 -10.251 3.303 4.603 1.00 0.00 O ATOM 0 H GLY A 14 -9.141 6.833 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.231 6.076 4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.501 5.371 3.553 1.00 0.00 H new ATOM 219 N SER A 15 -8.715 3.848 3.043 1.00 0.00 N ATOM 220 CA SER A 15 -8.022 2.568 3.114 1.00 0.00 C ATOM 221 C SER A 15 -6.508 2.764 3.058 1.00 0.00 C ATOM 222 O SER A 15 -5.918 2.826 1.977 1.00 0.00 O ATOM 223 CB SER A 15 -8.474 1.656 1.970 1.00 0.00 C ATOM 224 OG SER A 15 -9.581 0.861 2.358 1.00 0.00 O ATOM 0 H SER A 15 -8.315 4.507 2.375 1.00 0.00 H new ATOM 0 HA SER A 15 -8.274 2.098 4.065 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.742 2.260 1.103 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.649 1.012 1.666 1.00 0.00 H new ATOM 0 HG SER A 15 -9.851 0.289 1.610 1.00 0.00 H new ATOM 230 N ARG A 16 -5.887 2.862 4.231 1.00 0.00 N ATOM 231 CA ARG A 16 -4.448 3.051 4.329 1.00 0.00 C ATOM 232 C ARG A 16 -3.719 1.709 4.417 1.00 0.00 C ATOM 233 O ARG A 16 -2.685 1.515 3.776 1.00 0.00 O ATOM 234 CB ARG A 16 -4.099 3.923 5.543 1.00 0.00 C ATOM 235 CG ARG A 16 -4.888 3.599 6.808 1.00 0.00 C ATOM 236 CD ARG A 16 -6.020 4.590 7.029 1.00 0.00 C ATOM 237 NE ARG A 16 -6.443 4.641 8.427 1.00 0.00 N ATOM 238 CZ ARG A 16 -7.626 5.113 8.834 1.00 0.00 C ATOM 239 NH1 ARG A 16 -8.513 5.568 7.952 1.00 0.00 N ATOM 240 NH2 ARG A 16 -7.922 5.126 10.129 1.00 0.00 N ATOM 0 H ARG A 16 -6.365 2.813 5.131 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.117 3.560 3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.036 3.816 5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.268 4.968 5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.295 2.590 6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.219 3.612 7.668 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.699 5.582 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.869 4.314 6.404 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.796 4.295 9.136 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.293 5.559 6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.413 5.926 8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.248 4.777 10.810 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.824 5.485 10.442 1.00 0.00 H new ATOM 254 N THR A 17 -4.259 0.788 5.215 1.00 0.00 N ATOM 255 CA THR A 17 -3.650 -0.528 5.386 1.00 0.00 C ATOM 256 C THR A 17 -4.303 -1.564 4.468 1.00 0.00 C ATOM 257 O THR A 17 -5.507 -1.506 4.209 1.00 0.00 O ATOM 258 CB THR A 17 -3.744 -0.979 6.850 1.00 0.00 C ATOM 259 OG1 THR A 17 -5.029 -1.498 7.143 1.00 0.00 O ATOM 260 CG2 THR A 17 -3.465 0.131 7.842 1.00 0.00 C ATOM 0 H THR A 17 -5.115 0.930 5.751 1.00 0.00 H new ATOM 0 HA THR A 17 -2.598 -0.447 5.111 1.00 0.00 H new ATOM 0 HB THR A 17 -2.976 -1.745 6.957 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.062 -1.780 8.081 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.549 -0.258 8.857 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.458 0.516 7.683 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.187 0.935 7.701 1.00 0.00 H new ATOM 268 N VAL A 18 -3.495 -2.509 3.984 1.00 0.00 N ATOM 269 CA VAL A 18 -3.987 -3.561 3.096 1.00 0.00 C ATOM 270 C VAL A 18 -3.294 -4.893 3.390 1.00 0.00 C ATOM 271 O VAL A 18 -2.112 -5.069 3.085 1.00 0.00 O ATOM 272 CB VAL A 18 -3.770 -3.200 1.607 1.00 0.00 C ATOM 273 CG1 VAL A 18 -4.534 -4.160 0.707 1.00 0.00 C ATOM 274 CG2 VAL A 18 -4.181 -1.760 1.332 1.00 0.00 C ATOM 0 H VAL A 18 -2.498 -2.566 4.192 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.057 -3.656 3.283 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.707 -3.295 1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.369 -3.890 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.182 -5.177 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.599 -4.101 0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.019 -1.530 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.236 -1.630 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.583 -1.087 1.946 1.00 0.00 H new ATOM 284 N ARG A 19 -4.039 -5.830 3.979 1.00 0.00 N ATOM 285 CA ARG A 19 -3.502 -7.151 4.307 1.00 0.00 C ATOM 286 C ARG A 19 -3.988 -8.198 3.305 1.00 0.00 C ATOM 287 O ARG A 19 -5.061 -8.051 2.715 1.00 0.00 O ATOM 288 CB ARG A 19 -3.895 -7.555 5.734 1.00 0.00 C ATOM 289 CG ARG A 19 -5.391 -7.485 6.010 1.00 0.00 C ATOM 290 CD ARG A 19 -5.751 -6.254 6.831 1.00 0.00 C ATOM 291 NE ARG A 19 -6.479 -6.597 8.053 1.00 0.00 N ATOM 292 CZ ARG A 19 -7.156 -5.713 8.793 1.00 0.00 C ATOM 293 NH1 ARG A 19 -7.199 -4.430 8.442 1.00 0.00 N ATOM 294 NH2 ARG A 19 -7.790 -6.113 9.890 1.00 0.00 N ATOM 0 H ARG A 19 -5.017 -5.698 4.239 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.415 -7.098 4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.549 -8.572 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.375 -6.907 6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.936 -7.466 5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.706 -8.383 6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.840 -5.715 7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.358 -5.581 6.226 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.469 -7.570 8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.713 -4.114 7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.718 -3.762 9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.760 -7.094 10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.307 -5.439 10.455 1.00 0.00 H new ATOM 308 N VAL A 20 -3.195 -9.252 3.110 1.00 0.00 N ATOM 309 CA VAL A 20 -3.550 -10.316 2.173 1.00 0.00 C ATOM 310 C VAL A 20 -4.091 -11.538 2.911 1.00 0.00 C ATOM 311 O VAL A 20 -3.400 -12.128 3.745 1.00 0.00 O ATOM 312 CB VAL A 20 -2.343 -10.739 1.307 1.00 0.00 C ATOM 313 CG1 VAL A 20 -2.765 -11.737 0.237 1.00 0.00 C ATOM 314 CG2 VAL A 20 -1.675 -9.523 0.672 1.00 0.00 C ATOM 0 H VAL A 20 -2.305 -9.391 3.588 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.326 -9.915 1.520 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.617 -11.225 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.898 -12.019 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.183 -12.624 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.517 -11.282 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.828 -9.847 0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.394 -9.002 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.325 -8.850 1.455 1.00 0.00 H new ATOM 324 N ASP A 21 -5.334 -11.911 2.598 1.00 0.00 N ATOM 325 CA ASP A 21 -5.980 -13.056 3.225 1.00 0.00 C ATOM 326 C ASP A 21 -6.776 -13.863 2.204 1.00 0.00 C ATOM 327 O ASP A 21 -6.377 -14.962 1.816 1.00 0.00 O ATOM 328 CB ASP A 21 -6.904 -12.582 4.346 1.00 0.00 C ATOM 329 CG ASP A 21 -6.283 -12.738 5.720 1.00 0.00 C ATOM 330 OD1 ASP A 21 -5.563 -11.814 6.154 1.00 0.00 O ATOM 331 OD2 ASP A 21 -6.514 -13.786 6.360 1.00 0.00 O ATOM 0 H ASP A 21 -5.913 -11.430 1.909 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.205 -13.700 3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.158 -11.535 4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.836 -13.146 4.307 1.00 0.00 H new ATOM 336 N VAL A 22 -7.906 -13.304 1.776 1.00 0.00 N ATOM 337 CA VAL A 22 -8.772 -13.958 0.801 1.00 0.00 C ATOM 338 C VAL A 22 -8.465 -13.481 -0.620 1.00 0.00 C ATOM 339 O VAL A 22 -8.065 -12.334 -0.829 1.00 0.00 O ATOM 340 CB VAL A 22 -10.267 -13.711 1.118 1.00 0.00 C ATOM 341 CG1 VAL A 22 -10.605 -12.228 1.036 1.00 0.00 C ATOM 342 CG2 VAL A 22 -11.161 -14.522 0.187 1.00 0.00 C ATOM 0 H VAL A 22 -8.243 -12.395 2.092 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.573 -15.028 0.866 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.452 -14.042 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.661 -12.082 1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.000 -11.677 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.396 -11.862 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.207 -14.332 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.969 -14.232 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.947 -15.584 0.311 1.00 0.00 H new ATOM 352 N ASP A 23 -8.658 -14.371 -1.593 1.00 0.00 N ATOM 353 CA ASP A 23 -8.406 -14.044 -2.993 1.00 0.00 C ATOM 354 C ASP A 23 -9.606 -13.326 -3.608 1.00 0.00 C ATOM 355 O ASP A 23 -10.694 -13.897 -3.718 1.00 0.00 O ATOM 356 CB ASP A 23 -8.093 -15.313 -3.793 1.00 0.00 C ATOM 357 CG ASP A 23 -7.377 -15.013 -5.095 1.00 0.00 C ATOM 358 OD1 ASP A 23 -6.129 -14.970 -5.090 1.00 0.00 O ATOM 359 OD2 ASP A 23 -8.066 -14.818 -6.118 1.00 0.00 O ATOM 0 H ASP A 23 -8.988 -15.323 -1.436 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.544 -13.378 -3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.477 -15.978 -3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.021 -15.843 -4.006 1.00 0.00 H new ATOM 364 N GLY A 24 -9.398 -12.071 -4.008 1.00 0.00 N ATOM 365 CA GLY A 24 -10.465 -11.289 -4.610 1.00 0.00 C ATOM 366 C GLY A 24 -9.999 -10.498 -5.819 1.00 0.00 C ATOM 367 O GLY A 24 -9.221 -11.001 -6.632 1.00 0.00 O ATOM 0 H GLY A 24 -8.507 -11.582 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.275 -11.955 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.872 -10.603 -3.867 1.00 0.00 H new ATOM 371 N ASP A 25 -10.472 -9.255 -5.939 1.00 0.00 N ATOM 372 CA ASP A 25 -10.096 -8.395 -7.061 1.00 0.00 C ATOM 373 C ASP A 25 -9.133 -7.291 -6.614 1.00 0.00 C ATOM 374 O ASP A 25 -9.190 -6.163 -7.110 1.00 0.00 O ATOM 375 CB ASP A 25 -11.348 -7.781 -7.698 1.00 0.00 C ATOM 376 CG ASP A 25 -11.233 -7.637 -9.207 1.00 0.00 C ATOM 377 OD1 ASP A 25 -10.104 -7.442 -9.708 1.00 0.00 O ATOM 378 OD2 ASP A 25 -12.276 -7.715 -9.887 1.00 0.00 O ATOM 0 H ASP A 25 -11.114 -8.824 -5.274 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.584 -9.009 -7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.212 -8.403 -7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.531 -6.801 -7.257 1.00 0.00 H new ATOM 383 N ALA A 26 -8.246 -7.626 -5.678 1.00 0.00 N ATOM 384 CA ALA A 26 -7.268 -6.672 -5.168 1.00 0.00 C ATOM 385 C ALA A 26 -5.849 -7.176 -5.403 1.00 0.00 C ATOM 386 O ALA A 26 -5.491 -8.267 -4.958 1.00 0.00 O ATOM 387 CB ALA A 26 -7.502 -6.416 -3.685 1.00 0.00 C ATOM 0 H ALA A 26 -8.186 -8.554 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.391 -5.733 -5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.765 -5.702 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.503 -6.011 -3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.406 -7.352 -3.135 1.00 0.00 H new ATOM 393 N THR A 27 -5.044 -6.375 -6.103 1.00 0.00 N ATOM 394 CA THR A 27 -3.658 -6.742 -6.397 1.00 0.00 C ATOM 395 C THR A 27 -2.687 -5.880 -5.592 1.00 0.00 C ATOM 396 O THR A 27 -3.085 -4.886 -4.983 1.00 0.00 O ATOM 397 CB THR A 27 -3.365 -6.615 -7.899 1.00 0.00 C ATOM 398 OG1 THR A 27 -4.440 -5.997 -8.590 1.00 0.00 O ATOM 399 CG2 THR A 27 -3.101 -7.946 -8.567 1.00 0.00 C ATOM 0 H THR A 27 -5.328 -5.469 -6.476 1.00 0.00 H new ATOM 0 HA THR A 27 -3.518 -7.783 -6.107 1.00 0.00 H new ATOM 0 HB THR A 27 -2.466 -6.002 -7.957 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.184 -5.843 -9.523 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.901 -7.788 -9.627 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.238 -8.422 -8.102 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.974 -8.589 -8.455 1.00 0.00 H new ATOM 407 N VAL A 28 -1.408 -6.260 -5.602 1.00 0.00 N ATOM 408 CA VAL A 28 -0.385 -5.513 -4.876 1.00 0.00 C ATOM 409 C VAL A 28 -0.066 -4.214 -5.607 1.00 0.00 C ATOM 410 O VAL A 28 0.227 -3.197 -4.981 1.00 0.00 O ATOM 411 CB VAL A 28 0.912 -6.332 -4.694 1.00 0.00 C ATOM 412 CG1 VAL A 28 1.914 -5.568 -3.834 1.00 0.00 C ATOM 413 CG2 VAL A 28 0.612 -7.695 -4.082 1.00 0.00 C ATOM 0 H VAL A 28 -1.059 -7.077 -6.103 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.786 -5.295 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 28 1.353 -6.491 -5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.821 -6.162 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.159 -4.621 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.479 -5.374 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.541 -8.253 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.143 -7.561 -3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.062 -8.247 -4.737 1.00 0.00 H new ATOM 423 N GLY A 29 -0.140 -4.257 -6.938 1.00 0.00 N ATOM 424 CA GLY A 29 0.129 -3.083 -7.736 1.00 0.00 C ATOM 425 C GLY A 29 -1.102 -2.210 -7.900 1.00 0.00 C ATOM 426 O GLY A 29 -1.002 -0.983 -7.899 1.00 0.00 O ATOM 0 H GLY A 29 -0.383 -5.090 -7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.925 -2.503 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.490 -3.388 -8.718 1.00 0.00 H new ATOM 430 N ASP A 30 -2.269 -2.852 -8.030 1.00 0.00 N ATOM 431 CA ASP A 30 -3.539 -2.139 -8.185 1.00 0.00 C ATOM 432 C ASP A 30 -3.773 -1.190 -7.007 1.00 0.00 C ATOM 433 O ASP A 30 -4.259 -0.073 -7.188 1.00 0.00 O ATOM 434 CB ASP A 30 -4.695 -3.140 -8.300 1.00 0.00 C ATOM 435 CG ASP A 30 -6.049 -2.468 -8.456 1.00 0.00 C ATOM 436 OD1 ASP A 30 -6.448 -2.197 -9.609 1.00 0.00 O ATOM 437 OD2 ASP A 30 -6.709 -2.215 -7.426 1.00 0.00 O ATOM 0 H ASP A 30 -2.358 -3.868 -8.031 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.494 -1.546 -9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.519 -3.793 -9.155 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.710 -3.773 -7.413 1.00 0.00 H new ATOM 442 N ALA A 31 -3.404 -1.636 -5.805 1.00 0.00 N ATOM 443 CA ALA A 31 -3.549 -0.822 -4.602 1.00 0.00 C ATOM 444 C ALA A 31 -2.300 0.025 -4.368 1.00 0.00 C ATOM 445 O ALA A 31 -2.364 1.059 -3.705 1.00 0.00 O ATOM 446 CB ALA A 31 -3.826 -1.702 -3.391 1.00 0.00 C ATOM 0 H ALA A 31 -3.002 -2.559 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.397 -0.152 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.931 -1.078 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.747 -2.262 -3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.998 -2.397 -3.249 1.00 0.00 H new ATOM 452 N LEU A 32 -1.167 -0.416 -4.924 1.00 0.00 N ATOM 453 CA LEU A 32 0.090 0.310 -4.779 1.00 0.00 C ATOM 454 C LEU A 32 -0.007 1.680 -5.435 1.00 0.00 C ATOM 455 O LEU A 32 0.289 2.689 -4.807 1.00 0.00 O ATOM 456 CB LEU A 32 1.249 -0.482 -5.398 1.00 0.00 C ATOM 457 CG LEU A 32 2.590 0.258 -5.461 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.221 0.344 -4.078 1.00 0.00 C ATOM 459 CD2 LEU A 32 3.530 -0.433 -6.440 1.00 0.00 C ATOM 0 H LEU A 32 -1.099 -1.271 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 32 0.284 0.440 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.386 -1.400 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.967 -0.776 -6.409 1.00 0.00 H new ATOM 0 HG LEU A 32 2.409 1.273 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.172 0.873 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.553 0.882 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.391 -0.661 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.478 0.104 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.705 -1.458 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.081 -0.439 -7.433 1.00 0.00 H new ATOM 471 N ASP A 33 -0.422 1.711 -6.701 1.00 0.00 N ATOM 472 CA ASP A 33 -0.550 2.970 -7.426 1.00 0.00 C ATOM 473 C ASP A 33 -1.519 3.926 -6.722 1.00 0.00 C ATOM 474 O ASP A 33 -1.246 5.123 -6.618 1.00 0.00 O ATOM 475 CB ASP A 33 -0.978 2.707 -8.874 1.00 0.00 C ATOM 476 CG ASP A 33 -2.430 2.285 -9.010 1.00 0.00 C ATOM 477 OD1 ASP A 33 -3.312 3.170 -9.006 1.00 0.00 O ATOM 478 OD2 ASP A 33 -2.684 1.072 -9.127 1.00 0.00 O ATOM 0 H ASP A 33 -0.673 0.883 -7.241 1.00 0.00 H new ATOM 0 HA ASP A 33 0.425 3.457 -7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.814 3.610 -9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.341 1.930 -9.297 1.00 0.00 H new ATOM 483 N ALA A 34 -2.641 3.396 -6.230 1.00 0.00 N ATOM 484 CA ALA A 34 -3.629 4.221 -5.534 1.00 0.00 C ATOM 485 C ALA A 34 -3.082 4.735 -4.208 1.00 0.00 C ATOM 486 O ALA A 34 -3.160 5.928 -3.915 1.00 0.00 O ATOM 487 CB ALA A 34 -4.918 3.445 -5.301 1.00 0.00 C ATOM 0 H ALA A 34 -2.886 2.408 -6.300 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.847 5.078 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.636 4.080 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.334 3.135 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.708 2.564 -4.694 1.00 0.00 H new ATOM 493 N LEU A 35 -2.526 3.824 -3.410 1.00 0.00 N ATOM 494 CA LEU A 35 -1.964 4.177 -2.110 1.00 0.00 C ATOM 495 C LEU A 35 -0.709 5.037 -2.258 1.00 0.00 C ATOM 496 O LEU A 35 -0.451 5.908 -1.425 1.00 0.00 O ATOM 497 CB LEU A 35 -1.641 2.915 -1.303 1.00 0.00 C ATOM 498 CG LEU A 35 -2.774 2.403 -0.405 1.00 0.00 C ATOM 499 CD1 LEU A 35 -3.921 1.846 -1.240 1.00 0.00 C ATOM 500 CD2 LEU A 35 -2.255 1.341 0.554 1.00 0.00 C ATOM 0 H LEU A 35 -2.453 2.834 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.714 4.760 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.363 2.122 -1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.769 3.115 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.152 3.245 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.712 1.489 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.314 2.630 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.558 1.020 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.072 0.989 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.849 0.505 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.472 1.768 1.181 1.00 0.00 H new ATOM 512 N VAL A 36 0.067 4.799 -3.319 1.00 0.00 N ATOM 513 CA VAL A 36 1.286 5.569 -3.556 1.00 0.00 C ATOM 514 C VAL A 36 0.952 7.042 -3.769 1.00 0.00 C ATOM 515 O VAL A 36 1.557 7.919 -3.153 1.00 0.00 O ATOM 516 CB VAL A 36 2.085 5.033 -4.772 1.00 0.00 C ATOM 517 CG1 VAL A 36 3.063 6.080 -5.293 1.00 0.00 C ATOM 518 CG2 VAL A 36 2.826 3.756 -4.403 1.00 0.00 C ATOM 0 H VAL A 36 -0.127 4.085 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 36 1.912 5.461 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 36 1.374 4.809 -5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.609 5.676 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.514 6.969 -5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.767 6.345 -4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.381 3.394 -5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.519 3.960 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.109 2.997 -4.089 1.00 0.00 H new ATOM 528 N GLY A 37 -0.020 7.302 -4.641 1.00 0.00 N ATOM 529 CA GLY A 37 -0.422 8.667 -4.916 1.00 0.00 C ATOM 530 C GLY A 37 -1.028 8.829 -6.294 1.00 0.00 C ATOM 531 O GLY A 37 -0.576 9.662 -7.080 1.00 0.00 O ATOM 0 H GLY A 37 -0.534 6.591 -5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.145 8.987 -4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.444 9.322 -4.825 1.00 0.00 H new ATOM 535 N ALA A 38 -2.055 8.036 -6.582 1.00 0.00 N ATOM 536 CA ALA A 38 -2.730 8.102 -7.875 1.00 0.00 C ATOM 537 C ALA A 38 -3.365 9.476 -8.074 1.00 0.00 C ATOM 538 O ALA A 38 -2.992 10.205 -8.994 1.00 0.00 O ATOM 539 CB ALA A 38 -3.780 7.006 -7.988 1.00 0.00 C ATOM 0 H ALA A 38 -2.438 7.342 -5.940 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.989 7.947 -8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.272 7.072 -8.958 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.301 6.032 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.520 7.128 -7.197 1.00 0.00 H new ATOM 545 N HIS A 39 -4.311 9.818 -7.186 1.00 0.00 N ATOM 546 CA HIS A 39 -5.021 11.106 -7.207 1.00 0.00 C ATOM 547 C HIS A 39 -6.379 10.975 -6.532 1.00 0.00 C ATOM 548 O HIS A 39 -6.598 11.558 -5.476 1.00 0.00 O ATOM 549 CB HIS A 39 -5.216 11.636 -8.624 1.00 0.00 C ATOM 550 CG HIS A 39 -4.199 12.658 -9.043 1.00 0.00 C ATOM 551 ND1 HIS A 39 -3.905 12.923 -10.363 1.00 0.00 N ATOM 552 CD2 HIS A 39 -3.405 13.480 -8.311 1.00 0.00 C ATOM 553 CE1 HIS A 39 -2.977 13.862 -10.427 1.00 0.00 C ATOM 554 NE2 HIS A 39 -2.655 14.216 -9.196 1.00 0.00 N ATOM 0 H HIS A 39 -4.607 9.204 -6.427 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.400 11.817 -6.662 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.182 10.799 -9.321 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.210 12.076 -8.702 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.369 13.544 -7.233 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.554 14.271 -11.333 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.962 14.921 -8.944 1.00 0.00 H new ATOM 563 N PRO A 40 -7.313 10.194 -7.125 1.00 0.00 N ATOM 564 CA PRO A 40 -8.648 9.988 -6.552 1.00 0.00 C ATOM 565 C PRO A 40 -8.576 9.493 -5.114 1.00 0.00 C ATOM 566 O PRO A 40 -9.502 9.706 -4.331 1.00 0.00 O ATOM 567 CB PRO A 40 -9.288 8.929 -7.452 1.00 0.00 C ATOM 568 CG PRO A 40 -8.169 8.352 -8.252 1.00 0.00 C ATOM 569 CD PRO A 40 -7.143 9.441 -8.378 1.00 0.00 C ATOM 0 HA PRO A 40 -9.218 10.916 -6.516 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.784 8.160 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.045 9.371 -8.099 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.749 7.476 -7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.517 8.029 -9.233 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.135 9.038 -8.474 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.321 10.066 -9.253 1.00 0.00 H new ATOM 577 N ALA A 41 -7.458 8.849 -4.763 1.00 0.00 N ATOM 578 CA ALA A 41 -7.259 8.354 -3.408 1.00 0.00 C ATOM 579 C ALA A 41 -7.272 9.514 -2.421 1.00 0.00 C ATOM 580 O ALA A 41 -7.629 9.339 -1.257 1.00 0.00 O ATOM 581 CB ALA A 41 -5.950 7.580 -3.304 1.00 0.00 C ATOM 0 H ALA A 41 -6.683 8.662 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.075 7.675 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.821 7.219 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.973 6.732 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.119 8.235 -3.565 1.00 0.00 H new ATOM 587 N LEU A 42 -6.873 10.700 -2.891 1.00 0.00 N ATOM 588 CA LEU A 42 -6.841 11.884 -2.038 1.00 0.00 C ATOM 589 C LEU A 42 -7.265 13.147 -2.797 1.00 0.00 C ATOM 590 O LEU A 42 -6.913 14.259 -2.396 1.00 0.00 O ATOM 591 CB LEU A 42 -5.435 12.071 -1.453 1.00 0.00 C ATOM 592 CG LEU A 42 -4.284 11.925 -2.454 1.00 0.00 C ATOM 593 CD1 LEU A 42 -3.051 12.658 -1.955 1.00 0.00 C ATOM 594 CD2 LEU A 42 -3.970 10.454 -2.697 1.00 0.00 C ATOM 0 H LEU A 42 -6.570 10.862 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.556 11.728 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.377 13.060 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.293 11.345 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.591 12.371 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.243 12.544 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.282 13.716 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.742 12.240 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.150 10.370 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.683 9.983 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.852 9.955 -3.098 1.00 0.00 H new ATOM 606 N GLU A 43 -8.023 12.972 -3.891 1.00 0.00 N ATOM 607 CA GLU A 43 -8.490 14.096 -4.708 1.00 0.00 C ATOM 608 C GLU A 43 -7.324 14.879 -5.322 1.00 0.00 C ATOM 609 O GLU A 43 -6.185 14.806 -4.851 1.00 0.00 O ATOM 610 CB GLU A 43 -9.368 15.033 -3.871 1.00 0.00 C ATOM 611 CG GLU A 43 -10.790 14.522 -3.677 1.00 0.00 C ATOM 612 CD GLU A 43 -11.825 15.339 -4.432 1.00 0.00 C ATOM 613 OE1 GLU A 43 -11.529 15.789 -5.561 1.00 0.00 O ATOM 614 OE2 GLU A 43 -12.937 15.525 -3.894 1.00 0.00 O ATOM 0 H GLU A 43 -8.325 12.058 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.080 13.682 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.905 15.175 -2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.404 16.010 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.845 13.484 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.032 14.533 -2.614 1.00 0.00 H new ATOM 621 N SER A 44 -7.623 15.632 -6.378 1.00 0.00 N ATOM 622 CA SER A 44 -6.616 16.435 -7.065 1.00 0.00 C ATOM 623 C SER A 44 -6.628 17.889 -6.578 1.00 0.00 C ATOM 624 O SER A 44 -5.689 18.640 -6.847 1.00 0.00 O ATOM 625 CB SER A 44 -6.837 16.390 -8.580 1.00 0.00 C ATOM 626 OG SER A 44 -8.207 16.198 -8.897 1.00 0.00 O ATOM 0 H SER A 44 -8.559 15.702 -6.777 1.00 0.00 H new ATOM 0 HA SER A 44 -5.641 16.008 -6.832 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.485 17.319 -9.029 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.245 15.583 -9.012 1.00 0.00 H new ATOM 0 HG SER A 44 -8.317 16.175 -9.870 1.00 0.00 H new ATOM 632 N ARG A 45 -7.686 18.284 -5.862 1.00 0.00 N ATOM 633 CA ARG A 45 -7.792 19.649 -5.347 1.00 0.00 C ATOM 634 C ARG A 45 -6.932 19.817 -4.095 1.00 0.00 C ATOM 635 O ARG A 45 -6.714 18.855 -3.354 1.00 0.00 O ATOM 636 CB ARG A 45 -9.251 19.992 -5.025 1.00 0.00 C ATOM 637 CG ARG A 45 -10.184 19.907 -6.226 1.00 0.00 C ATOM 638 CD ARG A 45 -11.434 19.100 -5.906 1.00 0.00 C ATOM 639 NE ARG A 45 -12.643 19.716 -6.453 1.00 0.00 N ATOM 640 CZ ARG A 45 -13.226 20.807 -5.943 1.00 0.00 C ATOM 641 NH1 ARG A 45 -12.719 21.403 -4.865 1.00 0.00 N ATOM 642 NH2 ARG A 45 -14.319 21.299 -6.512 1.00 0.00 N ATOM 0 H ARG A 45 -8.475 17.681 -5.628 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.432 20.331 -6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.610 19.316 -4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.295 21.001 -4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.469 20.912 -6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.659 19.449 -7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.327 18.093 -6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.535 19.002 -4.825 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.068 19.287 -7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.880 21.028 -4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.170 22.234 -4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.713 20.846 -7.336 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.765 22.131 -6.125 1.00 0.00 H new ATOM 656 N VAL A 46 -6.446 21.044 -3.872 1.00 0.00 N ATOM 657 CA VAL A 46 -5.601 21.366 -2.714 1.00 0.00 C ATOM 658 C VAL A 46 -4.503 20.311 -2.491 1.00 0.00 C ATOM 659 O VAL A 46 -4.119 20.019 -1.355 1.00 0.00 O ATOM 660 CB VAL A 46 -6.454 21.537 -1.432 1.00 0.00 C ATOM 661 CG1 VAL A 46 -7.023 20.206 -0.949 1.00 0.00 C ATOM 662 CG2 VAL A 46 -5.646 22.213 -0.331 1.00 0.00 C ATOM 0 H VAL A 46 -6.626 21.839 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.109 22.314 -2.934 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.298 22.179 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.615 20.369 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.656 19.777 -1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.206 19.520 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.265 22.323 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.774 21.604 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.321 23.196 -0.670 1.00 0.00 H new ATOM 672 N PHE A 47 -3.998 19.752 -3.590 1.00 0.00 N ATOM 673 CA PHE A 47 -2.942 18.737 -3.528 1.00 0.00 C ATOM 674 C PHE A 47 -2.325 18.500 -4.907 1.00 0.00 C ATOM 675 O PHE A 47 -1.126 18.704 -5.096 1.00 0.00 O ATOM 676 CB PHE A 47 -3.486 17.416 -2.961 1.00 0.00 C ATOM 677 CG PHE A 47 -2.483 16.658 -2.129 1.00 0.00 C ATOM 678 CD1 PHE A 47 -1.187 16.457 -2.585 1.00 0.00 C ATOM 679 CD2 PHE A 47 -2.835 16.149 -0.888 1.00 0.00 C ATOM 680 CE1 PHE A 47 -0.266 15.764 -1.823 1.00 0.00 C ATOM 681 CE2 PHE A 47 -1.918 15.454 -0.122 1.00 0.00 C ATOM 682 CZ PHE A 47 -0.633 15.262 -0.589 1.00 0.00 C ATOM 0 H PHE A 47 -4.302 19.984 -4.536 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.165 19.110 -2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.365 17.626 -2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.813 16.783 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.895 16.848 -3.549 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.838 16.297 -0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.738 15.615 -2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.207 15.061 0.842 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.084 14.720 0.009 1.00 0.00 H new ATOM 692 N GLY A 48 -3.152 18.070 -5.866 1.00 0.00 N ATOM 693 CA GLY A 48 -2.671 17.814 -7.217 1.00 0.00 C ATOM 694 C GLY A 48 -2.423 19.093 -8.000 1.00 0.00 C ATOM 695 O GLY A 48 -3.152 19.400 -8.944 1.00 0.00 O ATOM 0 H GLY A 48 -4.147 17.895 -5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.747 17.238 -7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.400 17.202 -7.749 1.00 0.00 H new ATOM 699 N ASP A 49 -1.395 19.840 -7.598 1.00 0.00 N ATOM 700 CA ASP A 49 -1.045 21.098 -8.255 1.00 0.00 C ATOM 701 C ASP A 49 -0.478 20.862 -9.657 1.00 0.00 C ATOM 702 O ASP A 49 -0.106 19.739 -10.010 1.00 0.00 O ATOM 703 CB ASP A 49 -0.034 21.871 -7.404 1.00 0.00 C ATOM 704 CG ASP A 49 -0.660 22.451 -6.148 1.00 0.00 C ATOM 705 OD1 ASP A 49 -1.401 23.449 -6.263 1.00 0.00 O ATOM 706 OD2 ASP A 49 -0.412 21.904 -5.055 1.00 0.00 O ATOM 0 H ASP A 49 -0.788 19.594 -6.816 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.957 21.686 -8.358 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.785 21.208 -7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.396 22.677 -7.998 1.00 0.00 H new ATOM 711 N ASP A 50 -0.416 21.934 -10.449 1.00 0.00 N ATOM 712 CA ASP A 50 0.104 21.859 -11.815 1.00 0.00 C ATOM 713 C ASP A 50 1.636 21.918 -11.844 1.00 0.00 C ATOM 714 O ASP A 50 2.256 21.493 -12.821 1.00 0.00 O ATOM 715 CB ASP A 50 -0.478 22.992 -12.668 1.00 0.00 C ATOM 716 CG ASP A 50 -1.933 22.763 -13.053 1.00 0.00 C ATOM 717 OD1 ASP A 50 -2.363 21.590 -13.116 1.00 0.00 O ATOM 718 OD2 ASP A 50 -2.641 23.762 -13.294 1.00 0.00 O ATOM 0 H ASP A 50 -0.720 22.866 -10.167 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.202 20.899 -12.230 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.397 23.930 -12.119 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.119 23.100 -13.574 1.00 0.00 H new ATOM 723 N GLY A 51 2.241 22.445 -10.775 1.00 0.00 N ATOM 724 CA GLY A 51 3.691 22.541 -10.710 1.00 0.00 C ATOM 725 C GLY A 51 4.356 21.193 -10.484 1.00 0.00 C ATOM 726 O GLY A 51 3.812 20.153 -10.863 1.00 0.00 O ATOM 0 H GLY A 51 1.751 22.806 -9.956 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.065 22.976 -11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.971 23.220 -9.904 1.00 0.00 H new ATOM 730 N GLU A 52 5.536 21.206 -9.866 1.00 0.00 N ATOM 731 CA GLU A 52 6.270 19.974 -9.594 1.00 0.00 C ATOM 732 C GLU A 52 6.836 19.970 -8.174 1.00 0.00 C ATOM 733 O GLU A 52 7.949 20.443 -7.936 1.00 0.00 O ATOM 734 CB GLU A 52 7.401 19.791 -10.613 1.00 0.00 C ATOM 735 CG GLU A 52 7.538 18.366 -11.127 1.00 0.00 C ATOM 736 CD GLU A 52 8.712 17.632 -10.506 1.00 0.00 C ATOM 737 OE1 GLU A 52 8.563 17.120 -9.377 1.00 0.00 O ATOM 738 OE2 GLU A 52 9.782 17.571 -11.150 1.00 0.00 O ATOM 0 H GLU A 52 6.002 22.055 -9.545 1.00 0.00 H new ATOM 0 HA GLU A 52 5.572 19.141 -9.684 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.228 20.457 -11.458 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.343 20.095 -10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.619 17.818 -10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.658 18.384 -12.210 1.00 0.00 H new ATOM 745 N LEU A 53 6.060 19.429 -7.233 1.00 0.00 N ATOM 746 CA LEU A 53 6.483 19.356 -5.839 1.00 0.00 C ATOM 747 C LEU A 53 7.063 17.978 -5.524 1.00 0.00 C ATOM 748 O LEU A 53 6.574 16.962 -6.024 1.00 0.00 O ATOM 749 CB LEU A 53 5.308 19.653 -4.904 1.00 0.00 C ATOM 750 CG LEU A 53 5.697 20.146 -3.505 1.00 0.00 C ATOM 751 CD1 LEU A 53 5.863 21.659 -3.497 1.00 0.00 C ATOM 752 CD2 LEU A 53 4.656 19.716 -2.483 1.00 0.00 C ATOM 0 H LEU A 53 5.136 19.036 -7.414 1.00 0.00 H new ATOM 0 HA LEU A 53 7.257 20.107 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.672 20.404 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.709 18.748 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 53 6.652 19.697 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.139 21.989 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.645 21.943 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.924 22.130 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.947 20.074 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.687 20.138 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.587 18.628 -2.469 1.00 0.00 H new ATOM 764 N TYR A 54 8.104 17.949 -4.694 1.00 0.00 N ATOM 765 CA TYR A 54 8.746 16.694 -4.315 1.00 0.00 C ATOM 766 C TYR A 54 8.410 16.318 -2.875 1.00 0.00 C ATOM 767 O TYR A 54 8.585 17.121 -1.956 1.00 0.00 O ATOM 768 CB TYR A 54 10.263 16.795 -4.491 1.00 0.00 C ATOM 769 CG TYR A 54 10.828 15.777 -5.460 1.00 0.00 C ATOM 770 CD1 TYR A 54 10.874 16.039 -6.824 1.00 0.00 C ATOM 771 CD2 TYR A 54 11.310 14.554 -5.009 1.00 0.00 C ATOM 772 CE1 TYR A 54 11.386 15.112 -7.711 1.00 0.00 C ATOM 773 CE2 TYR A 54 11.824 13.622 -5.891 1.00 0.00 C ATOM 774 CZ TYR A 54 11.859 13.906 -7.240 1.00 0.00 C ATOM 775 OH TYR A 54 12.371 12.979 -8.121 1.00 0.00 O ATOM 0 H TYR A 54 8.520 18.779 -4.272 1.00 0.00 H new ATOM 0 HA TYR A 54 8.364 15.911 -4.971 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.514 17.796 -4.841 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.743 16.667 -3.521 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.503 16.983 -7.197 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.283 14.328 -3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.416 15.331 -8.768 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.196 12.676 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 54 12.662 12.184 -7.627 1.00 0.00 H new ATOM 785 N ASP A 55 7.926 15.090 -2.686 1.00 0.00 N ATOM 786 CA ASP A 55 7.562 14.601 -1.359 1.00 0.00 C ATOM 787 C ASP A 55 8.307 13.310 -1.026 1.00 0.00 C ATOM 788 O ASP A 55 8.584 12.495 -1.909 1.00 0.00 O ATOM 789 CB ASP A 55 6.052 14.366 -1.270 1.00 0.00 C ATOM 790 CG ASP A 55 5.291 15.626 -0.912 1.00 0.00 C ATOM 791 OD1 ASP A 55 5.143 16.501 -1.790 1.00 0.00 O ATOM 792 OD2 ASP A 55 4.841 15.739 0.247 1.00 0.00 O ATOM 0 H ASP A 55 7.777 14.416 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 55 7.848 15.363 -0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.690 13.985 -2.225 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.850 13.598 -0.523 1.00 0.00 H new ATOM 797 N HIS A 56 8.621 13.131 0.254 1.00 0.00 N ATOM 798 CA HIS A 56 9.329 11.940 0.716 1.00 0.00 C ATOM 799 C HIS A 56 8.414 11.069 1.575 1.00 0.00 C ATOM 800 O HIS A 56 7.484 11.571 2.206 1.00 0.00 O ATOM 801 CB HIS A 56 10.575 12.337 1.513 1.00 0.00 C ATOM 802 CG HIS A 56 11.598 13.069 0.699 1.00 0.00 C ATOM 803 ND1 HIS A 56 12.747 12.474 0.218 1.00 0.00 N ATOM 804 CD2 HIS A 56 11.643 14.358 0.281 1.00 0.00 C ATOM 805 CE1 HIS A 56 13.452 13.363 -0.459 1.00 0.00 C ATOM 806 NE2 HIS A 56 12.803 14.513 -0.436 1.00 0.00 N ATOM 0 H HIS A 56 8.396 13.798 0.992 1.00 0.00 H new ATOM 0 HA HIS A 56 9.637 11.365 -0.157 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.275 12.963 2.353 1.00 0.00 H new ATOM 0 HB3 HIS A 56 11.030 11.439 1.932 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.904 15.121 0.476 1.00 0.00 H new ATOM 0 HE1 HIS A 56 14.398 13.180 -0.948 1.00 0.00 H new ATOM 0 HE2 HIS A 56 13.114 15.377 -0.880 1.00 0.00 H new ATOM 815 N ILE A 57 8.688 9.764 1.594 1.00 0.00 N ATOM 816 CA ILE A 57 7.897 8.816 2.379 1.00 0.00 C ATOM 817 C ILE A 57 8.710 7.565 2.695 1.00 0.00 C ATOM 818 O ILE A 57 9.236 6.910 1.791 1.00 0.00 O ATOM 819 CB ILE A 57 6.595 8.394 1.653 1.00 0.00 C ATOM 820 CG1 ILE A 57 6.880 8.029 0.190 1.00 0.00 C ATOM 821 CG2 ILE A 57 5.548 9.496 1.736 1.00 0.00 C ATOM 822 CD1 ILE A 57 6.060 6.860 -0.309 1.00 0.00 C ATOM 0 H ILE A 57 9.455 9.338 1.073 1.00 0.00 H new ATOM 0 HA ILE A 57 7.627 9.330 3.301 1.00 0.00 H new ATOM 0 HB ILE A 57 6.201 7.510 2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.681 8.897 -0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.939 7.793 0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.643 9.177 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.317 9.700 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.934 10.401 1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.312 6.657 -1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.276 5.979 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 57 5.000 7.101 -0.233 1.00 0.00 H new ATOM 834 N ASN A 58 8.811 7.235 3.979 1.00 0.00 N ATOM 835 CA ASN A 58 9.561 6.059 4.408 1.00 0.00 C ATOM 836 C ASN A 58 8.657 4.831 4.470 1.00 0.00 C ATOM 837 O ASN A 58 7.520 4.906 4.939 1.00 0.00 O ATOM 838 CB ASN A 58 10.209 6.303 5.771 1.00 0.00 C ATOM 839 CG ASN A 58 11.521 7.061 5.670 1.00 0.00 C ATOM 840 OD1 ASN A 58 11.681 7.941 4.823 1.00 0.00 O ATOM 841 ND2 ASN A 58 12.472 6.725 6.536 1.00 0.00 N ATOM 0 H ASN A 58 8.384 7.764 4.739 1.00 0.00 H new ATOM 0 HA ASN A 58 10.346 5.874 3.674 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.519 6.863 6.402 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.384 5.346 6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.373 7.202 6.514 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.300 5.990 7.223 1.00 0.00 H new ATOM 848 N VAL A 59 9.168 3.704 3.987 1.00 0.00 N ATOM 849 CA VAL A 59 8.414 2.459 3.977 1.00 0.00 C ATOM 850 C VAL A 59 9.168 1.348 4.703 1.00 0.00 C ATOM 851 O VAL A 59 10.393 1.401 4.838 1.00 0.00 O ATOM 852 CB VAL A 59 8.114 1.985 2.537 1.00 0.00 C ATOM 853 CG1 VAL A 59 6.726 2.422 2.108 1.00 0.00 C ATOM 854 CG2 VAL A 59 9.166 2.490 1.557 1.00 0.00 C ATOM 0 H VAL A 59 10.107 3.629 3.595 1.00 0.00 H new ATOM 0 HA VAL A 59 7.476 2.665 4.492 1.00 0.00 H new ATOM 0 HB VAL A 59 8.150 0.896 2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.534 2.078 1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.985 1.993 2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.660 3.509 2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.926 2.139 0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.179 3.580 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.146 2.112 1.849 1.00 0.00 H new ATOM 864 N LEU A 60 8.429 0.338 5.151 1.00 0.00 N ATOM 865 CA LEU A 60 9.021 -0.792 5.849 1.00 0.00 C ATOM 866 C LEU A 60 8.825 -2.067 5.040 1.00 0.00 C ATOM 867 O LEU A 60 7.694 -2.442 4.725 1.00 0.00 O ATOM 868 CB LEU A 60 8.398 -0.950 7.239 1.00 0.00 C ATOM 869 CG LEU A 60 9.369 -1.367 8.348 1.00 0.00 C ATOM 870 CD1 LEU A 60 10.006 -2.714 8.034 1.00 0.00 C ATOM 871 CD2 LEU A 60 10.439 -0.301 8.549 1.00 0.00 C ATOM 0 H LEU A 60 7.416 0.281 5.041 1.00 0.00 H new ATOM 0 HA LEU A 60 10.089 -0.607 5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.935 -0.005 7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.600 -1.691 7.180 1.00 0.00 H new ATOM 0 HG LEU A 60 8.804 -1.468 9.275 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.691 -2.988 8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.228 -3.473 7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.555 -2.647 7.095 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.120 -0.614 9.340 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.997 -0.166 7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.966 0.641 8.828 1.00 0.00 H new ATOM 883 N ARG A 61 9.930 -2.725 4.702 1.00 0.00 N ATOM 884 CA ARG A 61 9.876 -3.958 3.926 1.00 0.00 C ATOM 885 C ARG A 61 10.660 -5.067 4.619 1.00 0.00 C ATOM 886 O ARG A 61 11.686 -4.811 5.253 1.00 0.00 O ATOM 887 CB ARG A 61 10.422 -3.723 2.511 1.00 0.00 C ATOM 888 CG ARG A 61 11.896 -3.346 2.468 1.00 0.00 C ATOM 889 CD ARG A 61 12.090 -1.838 2.438 1.00 0.00 C ATOM 890 NE ARG A 61 13.243 -1.419 3.234 1.00 0.00 N ATOM 891 CZ ARG A 61 13.845 -0.231 3.118 1.00 0.00 C ATOM 892 NH1 ARG A 61 13.404 0.670 2.243 1.00 0.00 N ATOM 893 NH2 ARG A 61 14.892 0.055 3.882 1.00 0.00 N ATOM 0 H ARG A 61 10.872 -2.425 4.953 1.00 0.00 H new ATOM 0 HA ARG A 61 8.834 -4.270 3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.272 -4.627 1.921 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.842 -2.932 2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.403 -3.761 3.339 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.360 -3.790 1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.222 -1.510 1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.192 -1.349 2.815 1.00 0.00 H new ATOM 0 HE ARG A 61 13.612 -2.076 3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.600 0.457 1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.870 1.573 2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.235 -0.631 4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.354 0.960 3.796 1.00 0.00 H new ATOM 907 N ASN A 62 10.173 -6.302 4.492 1.00 0.00 N ATOM 908 CA ASN A 62 10.832 -7.457 5.106 1.00 0.00 C ATOM 909 C ASN A 62 12.227 -7.693 4.515 1.00 0.00 C ATOM 910 O ASN A 62 13.057 -8.369 5.126 1.00 0.00 O ATOM 911 CB ASN A 62 9.974 -8.716 4.937 1.00 0.00 C ATOM 912 CG ASN A 62 9.656 -9.381 6.264 1.00 0.00 C ATOM 913 OD1 ASN A 62 9.319 -8.712 7.240 1.00 0.00 O ATOM 914 ND2 ASN A 62 9.765 -10.705 6.311 1.00 0.00 N ATOM 0 H ASN A 62 9.326 -6.529 3.971 1.00 0.00 H new ATOM 0 HA ASN A 62 10.948 -7.240 6.168 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.044 -8.454 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.496 -9.425 4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.566 -11.203 7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.047 -11.223 5.479 1.00 0.00 H new ATOM 921 N GLY A 63 12.477 -7.136 3.327 1.00 0.00 N ATOM 922 CA GLY A 63 13.768 -7.301 2.679 1.00 0.00 C ATOM 923 C GLY A 63 13.692 -8.164 1.426 1.00 0.00 C ATOM 924 O GLY A 63 14.693 -8.753 1.016 1.00 0.00 O ATOM 0 H GLY A 63 11.806 -6.574 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.166 -6.321 2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.468 -7.751 3.383 1.00 0.00 H new ATOM 928 N GLU A 64 12.502 -8.240 0.822 1.00 0.00 N ATOM 929 CA GLU A 64 12.296 -9.037 -0.381 1.00 0.00 C ATOM 930 C GLU A 64 11.552 -8.235 -1.449 1.00 0.00 C ATOM 931 O GLU A 64 10.983 -7.179 -1.159 1.00 0.00 O ATOM 932 CB GLU A 64 11.515 -10.308 -0.037 1.00 0.00 C ATOM 933 CG GLU A 64 12.010 -11.549 -0.762 1.00 0.00 C ATOM 934 CD GLU A 64 10.912 -12.573 -0.977 1.00 0.00 C ATOM 935 OE1 GLU A 64 10.496 -13.216 0.010 1.00 0.00 O ATOM 936 OE2 GLU A 64 10.467 -12.730 -2.133 1.00 0.00 O ATOM 0 H GLU A 64 11.667 -7.756 1.152 1.00 0.00 H new ATOM 0 HA GLU A 64 13.272 -9.312 -0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.574 -10.479 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.463 -10.153 -0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.427 -11.260 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.818 -12.003 -0.188 1.00 0.00 H new ATOM 943 N ALA A 65 11.561 -8.739 -2.683 1.00 0.00 N ATOM 944 CA ALA A 65 10.890 -8.070 -3.793 1.00 0.00 C ATOM 945 C ALA A 65 9.393 -8.369 -3.797 1.00 0.00 C ATOM 946 O ALA A 65 8.982 -9.531 -3.814 1.00 0.00 O ATOM 947 CB ALA A 65 11.517 -8.480 -5.119 1.00 0.00 C ATOM 0 H ALA A 65 12.027 -9.610 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 65 11.017 -6.995 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.005 -7.972 -5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.571 -8.203 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.424 -9.558 -5.247 1.00 0.00 H new ATOM 953 N ALA A 66 8.582 -7.312 -3.783 1.00 0.00 N ATOM 954 CA ALA A 66 7.130 -7.457 -3.786 1.00 0.00 C ATOM 955 C ALA A 66 6.572 -7.438 -5.207 1.00 0.00 C ATOM 956 O ALA A 66 7.100 -6.751 -6.083 1.00 0.00 O ATOM 957 CB ALA A 66 6.488 -6.358 -2.952 1.00 0.00 C ATOM 0 H ALA A 66 8.908 -6.346 -3.769 1.00 0.00 H new ATOM 0 HA ALA A 66 6.889 -8.424 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.405 -6.479 -2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.850 -6.422 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.749 -5.385 -3.369 1.00 0.00 H new ATOM 963 N ALA A 67 5.496 -8.193 -5.427 1.00 0.00 N ATOM 964 CA ALA A 67 4.858 -8.264 -6.740 1.00 0.00 C ATOM 965 C ALA A 67 3.844 -7.132 -6.918 1.00 0.00 C ATOM 966 O ALA A 67 3.680 -6.291 -6.034 1.00 0.00 O ATOM 967 CB ALA A 67 4.179 -9.617 -6.920 1.00 0.00 C ATOM 0 H ALA A 67 5.048 -8.765 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 67 5.629 -8.150 -7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.707 -9.659 -7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.922 -10.410 -6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.422 -9.750 -6.147 1.00 0.00 H new ATOM 973 N LEU A 68 3.160 -7.118 -8.064 1.00 0.00 N ATOM 974 CA LEU A 68 2.157 -6.090 -8.345 1.00 0.00 C ATOM 975 C LEU A 68 0.894 -6.701 -8.962 1.00 0.00 C ATOM 976 O LEU A 68 -0.221 -6.370 -8.555 1.00 0.00 O ATOM 977 CB LEU A 68 2.743 -4.986 -9.243 1.00 0.00 C ATOM 978 CG LEU A 68 2.529 -5.146 -10.755 1.00 0.00 C ATOM 979 CD1 LEU A 68 1.162 -4.614 -11.168 1.00 0.00 C ATOM 980 CD2 LEU A 68 3.631 -4.428 -11.521 1.00 0.00 C ATOM 0 H LEU A 68 3.282 -7.804 -8.809 1.00 0.00 H new ATOM 0 HA LEU A 68 1.868 -5.633 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.312 -4.033 -8.937 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.815 -4.926 -9.055 1.00 0.00 H new ATOM 0 HG LEU A 68 2.568 -6.208 -10.997 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.033 -4.738 -12.243 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.383 -5.166 -10.643 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.091 -3.556 -10.914 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.468 -4.549 -12.592 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.618 -3.368 -11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.598 -4.853 -11.251 1.00 0.00 H new ATOM 992 N GLY A 69 1.068 -7.600 -9.933 1.00 0.00 N ATOM 993 CA GLY A 69 -0.074 -8.236 -10.568 1.00 0.00 C ATOM 994 C GLY A 69 -0.429 -9.572 -9.938 1.00 0.00 C ATOM 995 O GLY A 69 -0.908 -10.475 -10.625 1.00 0.00 O ATOM 0 H GLY A 69 1.977 -7.897 -10.288 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.935 -7.570 -10.507 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.140 -8.384 -11.626 1.00 0.00 H new ATOM 999 N GLU A 70 -0.193 -9.700 -8.627 1.00 0.00 N ATOM 1000 CA GLU A 70 -0.490 -10.935 -7.909 1.00 0.00 C ATOM 1001 C GLU A 70 -0.490 -10.710 -6.399 1.00 0.00 C ATOM 1002 O GLU A 70 0.546 -10.829 -5.744 1.00 0.00 O ATOM 1003 CB GLU A 70 0.530 -12.020 -8.269 1.00 0.00 C ATOM 1004 CG GLU A 70 0.041 -12.997 -9.327 1.00 0.00 C ATOM 1005 CD GLU A 70 0.416 -14.431 -9.011 1.00 0.00 C ATOM 1006 OE1 GLU A 70 1.626 -14.715 -8.868 1.00 0.00 O ATOM 1007 OE2 GLU A 70 -0.499 -15.275 -8.904 1.00 0.00 O ATOM 0 H GLU A 70 0.203 -8.961 -8.046 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.486 -11.262 -8.209 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.444 -11.543 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.789 -12.575 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.043 -12.919 -9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.460 -12.720 -10.294 1.00 0.00 H new ATOM 1014 N ALA A 71 -1.663 -10.394 -5.847 1.00 0.00 N ATOM 1015 CA ALA A 71 -1.801 -10.167 -4.407 1.00 0.00 C ATOM 1016 C ALA A 71 -1.520 -11.439 -3.600 1.00 0.00 C ATOM 1017 O ALA A 71 -1.272 -11.371 -2.397 1.00 0.00 O ATOM 1018 CB ALA A 71 -3.191 -9.645 -4.083 1.00 0.00 C ATOM 0 H ALA A 71 -2.530 -10.290 -6.374 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.059 -9.420 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.277 -9.482 -3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.358 -8.704 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.937 -10.374 -4.400 1.00 0.00 H new ATOM 1024 N THR A 72 -1.560 -12.597 -4.267 1.00 0.00 N ATOM 1025 CA THR A 72 -1.310 -13.881 -3.610 1.00 0.00 C ATOM 1026 C THR A 72 0.188 -14.235 -3.629 1.00 0.00 C ATOM 1027 O THR A 72 0.562 -15.407 -3.719 1.00 0.00 O ATOM 1028 CB THR A 72 -2.141 -14.981 -4.287 1.00 0.00 C ATOM 1029 OG1 THR A 72 -2.029 -16.207 -3.585 1.00 0.00 O ATOM 1030 CG2 THR A 72 -1.751 -15.235 -5.729 1.00 0.00 C ATOM 0 H THR A 72 -1.764 -12.670 -5.264 1.00 0.00 H new ATOM 0 HA THR A 72 -1.612 -13.801 -2.566 1.00 0.00 H new ATOM 0 HB THR A 72 -3.166 -14.611 -4.269 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.086 -16.387 -3.389 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.380 -16.024 -6.142 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.886 -14.322 -6.309 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.706 -15.542 -5.775 1.00 0.00 H new ATOM 1038 N ALA A 73 1.042 -13.213 -3.536 1.00 0.00 N ATOM 1039 CA ALA A 73 2.490 -13.413 -3.535 1.00 0.00 C ATOM 1040 C ALA A 73 3.014 -13.661 -2.118 1.00 0.00 C ATOM 1041 O ALA A 73 2.291 -13.475 -1.137 1.00 0.00 O ATOM 1042 CB ALA A 73 3.182 -12.208 -4.158 1.00 0.00 C ATOM 0 H ALA A 73 0.753 -12.238 -3.460 1.00 0.00 H new ATOM 0 HA ALA A 73 2.714 -14.298 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.261 -12.365 -4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.838 -12.082 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.943 -11.314 -3.583 1.00 0.00 H new ATOM 1048 N ALA A 74 4.277 -14.083 -2.022 1.00 0.00 N ATOM 1049 CA ALA A 74 4.904 -14.357 -0.731 1.00 0.00 C ATOM 1050 C ALA A 74 5.407 -13.069 -0.078 1.00 0.00 C ATOM 1051 O ALA A 74 6.597 -12.750 -0.141 1.00 0.00 O ATOM 1052 CB ALA A 74 6.049 -15.348 -0.899 1.00 0.00 C ATOM 0 H ALA A 74 4.885 -14.242 -2.826 1.00 0.00 H new ATOM 0 HA ALA A 74 4.151 -14.795 -0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.507 -15.543 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.665 -16.280 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.795 -14.931 -1.575 1.00 0.00 H new ATOM 1058 N GLY A 75 4.490 -12.332 0.552 1.00 0.00 N ATOM 1059 CA GLY A 75 4.852 -11.086 1.212 1.00 0.00 C ATOM 1060 C GLY A 75 5.063 -9.939 0.239 1.00 0.00 C ATOM 1061 O GLY A 75 5.472 -10.153 -0.905 1.00 0.00 O ATOM 0 H GLY A 75 3.502 -12.577 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.069 -10.815 1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.764 -11.238 1.789 1.00 0.00 H new ATOM 1065 N ASP A 76 4.783 -8.718 0.695 1.00 0.00 N ATOM 1066 CA ASP A 76 4.943 -7.529 -0.142 1.00 0.00 C ATOM 1067 C ASP A 76 5.674 -6.415 0.608 1.00 0.00 C ATOM 1068 O ASP A 76 6.636 -5.842 0.096 1.00 0.00 O ATOM 1069 CB ASP A 76 3.579 -7.034 -0.654 1.00 0.00 C ATOM 1070 CG ASP A 76 2.590 -6.696 0.454 1.00 0.00 C ATOM 1071 OD1 ASP A 76 2.501 -7.459 1.438 1.00 0.00 O ATOM 1072 OD2 ASP A 76 1.896 -5.669 0.331 1.00 0.00 O ATOM 0 H ASP A 76 4.445 -8.526 1.638 1.00 0.00 H new ATOM 0 HA ASP A 76 5.553 -7.809 -1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.733 -6.150 -1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.143 -7.800 -1.296 1.00 0.00 H new ATOM 1077 N GLU A 77 5.216 -6.122 1.821 1.00 0.00 N ATOM 1078 CA GLU A 77 5.828 -5.084 2.647 1.00 0.00 C ATOM 1079 C GLU A 77 5.359 -5.206 4.098 1.00 0.00 C ATOM 1080 O GLU A 77 4.681 -6.172 4.461 1.00 0.00 O ATOM 1081 CB GLU A 77 5.494 -3.686 2.094 1.00 0.00 C ATOM 1082 CG GLU A 77 4.078 -3.547 1.551 1.00 0.00 C ATOM 1083 CD GLU A 77 4.004 -2.707 0.285 1.00 0.00 C ATOM 1084 OE1 GLU A 77 4.761 -1.718 0.179 1.00 0.00 O ATOM 1085 OE2 GLU A 77 3.188 -3.038 -0.600 1.00 0.00 O ATOM 0 H GLU A 77 4.421 -6.590 2.256 1.00 0.00 H new ATOM 0 HA GLU A 77 6.909 -5.219 2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.641 -2.951 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.200 -3.444 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.675 -4.539 1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.445 -3.097 2.316 1.00 0.00 H new ATOM 1092 N LEU A 78 5.722 -4.224 4.923 1.00 0.00 N ATOM 1093 CA LEU A 78 5.335 -4.217 6.329 1.00 0.00 C ATOM 1094 C LEU A 78 4.450 -3.009 6.635 1.00 0.00 C ATOM 1095 O LEU A 78 3.427 -3.138 7.306 1.00 0.00 O ATOM 1096 CB LEU A 78 6.578 -4.208 7.224 1.00 0.00 C ATOM 1097 CG LEU A 78 6.830 -5.499 8.008 1.00 0.00 C ATOM 1098 CD1 LEU A 78 5.669 -5.794 8.946 1.00 0.00 C ATOM 1099 CD2 LEU A 78 7.064 -6.667 7.060 1.00 0.00 C ATOM 0 H LEU A 78 6.285 -3.422 4.639 1.00 0.00 H new ATOM 0 HA LEU A 78 4.765 -5.123 6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.451 -4.003 6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.490 -3.384 7.932 1.00 0.00 H new ATOM 0 HG LEU A 78 7.729 -5.362 8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.868 -6.715 9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.553 -4.971 9.651 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.753 -5.907 8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.241 -7.574 7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.186 -6.804 6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.932 -6.460 6.435 1.00 0.00 H new ATOM 1111 N ALA A 79 4.852 -1.835 6.136 1.00 0.00 N ATOM 1112 CA ALA A 79 4.094 -0.601 6.354 1.00 0.00 C ATOM 1113 C ALA A 79 4.632 0.545 5.488 1.00 0.00 C ATOM 1114 O ALA A 79 5.656 0.401 4.818 1.00 0.00 O ATOM 1115 CB ALA A 79 4.140 -0.212 7.828 1.00 0.00 C ATOM 0 H ALA A 79 5.698 -1.715 5.579 1.00 0.00 H new ATOM 0 HA ALA A 79 3.060 -0.785 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.573 0.707 7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.704 -1.010 8.429 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.175 -0.054 8.130 1.00 0.00 H new ATOM 1121 N LEU A 80 3.935 1.683 5.517 1.00 0.00 N ATOM 1122 CA LEU A 80 4.333 2.864 4.749 1.00 0.00 C ATOM 1123 C LEU A 80 3.828 4.136 5.431 1.00 0.00 C ATOM 1124 O LEU A 80 2.621 4.331 5.585 1.00 0.00 O ATOM 1125 CB LEU A 80 3.793 2.781 3.315 1.00 0.00 C ATOM 1126 CG LEU A 80 3.968 4.047 2.465 1.00 0.00 C ATOM 1127 CD1 LEU A 80 4.075 3.691 0.989 1.00 0.00 C ATOM 1128 CD2 LEU A 80 2.815 5.016 2.694 1.00 0.00 C ATOM 0 H LEU A 80 3.086 1.811 6.068 1.00 0.00 H new ATOM 0 HA LEU A 80 5.422 2.897 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.288 1.953 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.731 2.539 3.359 1.00 0.00 H new ATOM 0 HG LEU A 80 4.893 4.535 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.199 4.602 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.935 3.040 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.168 3.176 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.960 5.906 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.876 4.536 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.783 5.301 3.746 1.00 0.00 H new ATOM 1140 N PHE A 81 4.756 4.994 5.848 1.00 0.00 N ATOM 1141 CA PHE A 81 4.394 6.241 6.521 1.00 0.00 C ATOM 1142 C PHE A 81 5.302 7.396 6.092 1.00 0.00 C ATOM 1143 O PHE A 81 6.515 7.228 5.961 1.00 0.00 O ATOM 1144 CB PHE A 81 4.458 6.062 8.045 1.00 0.00 C ATOM 1145 CG PHE A 81 3.362 5.190 8.596 1.00 0.00 C ATOM 1146 CD1 PHE A 81 3.430 3.811 8.481 1.00 0.00 C ATOM 1147 CD2 PHE A 81 2.262 5.753 9.227 1.00 0.00 C ATOM 1148 CE1 PHE A 81 2.422 3.010 8.982 1.00 0.00 C ATOM 1149 CE2 PHE A 81 1.252 4.954 9.730 1.00 0.00 C ATOM 1150 CZ PHE A 81 1.332 3.582 9.606 1.00 0.00 C ATOM 0 H PHE A 81 5.759 4.851 5.733 1.00 0.00 H new ATOM 0 HA PHE A 81 3.373 6.489 6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.423 5.630 8.311 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.405 7.042 8.520 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.281 3.357 7.994 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.194 6.826 9.326 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.487 1.936 8.885 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.401 5.403 10.220 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.543 2.957 9.997 1.00 0.00 H new ATOM 1160 N PRO A 82 4.719 8.592 5.866 1.00 0.00 N ATOM 1161 CA PRO A 82 5.477 9.778 5.455 1.00 0.00 C ATOM 1162 C PRO A 82 6.219 10.431 6.623 1.00 0.00 C ATOM 1163 O PRO A 82 5.993 10.082 7.785 1.00 0.00 O ATOM 1164 CB PRO A 82 4.388 10.711 4.922 1.00 0.00 C ATOM 1165 CG PRO A 82 3.172 10.355 5.704 1.00 0.00 C ATOM 1166 CD PRO A 82 3.276 8.880 6.002 1.00 0.00 C ATOM 0 HA PRO A 82 6.254 9.540 4.729 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.658 11.757 5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.229 10.565 3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.119 10.935 6.625 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.267 10.574 5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.915 8.648 7.004 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.683 8.288 5.305 1.00 0.00 H new ATOM 1174 N PRO A 83 7.117 11.395 6.332 1.00 0.00 N ATOM 1175 CA PRO A 83 7.889 12.100 7.362 1.00 0.00 C ATOM 1176 C PRO A 83 6.988 12.835 8.350 1.00 0.00 C ATOM 1177 O PRO A 83 6.063 13.546 7.950 1.00 0.00 O ATOM 1178 CB PRO A 83 8.747 13.094 6.566 1.00 0.00 C ATOM 1179 CG PRO A 83 8.078 13.211 5.238 1.00 0.00 C ATOM 1180 CD PRO A 83 7.443 11.877 4.980 1.00 0.00 C ATOM 0 HA PRO A 83 8.480 11.413 7.968 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.798 14.060 7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.771 12.735 6.461 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.331 14.005 5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.798 13.458 4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.552 11.968 4.359 1.00 0.00 H new ATOM 0 HD3 PRO A 83 8.123 11.200 4.464 1.00 0.00 H new ATOM 1188 N VAL A 84 7.258 12.654 9.642 1.00 0.00 N ATOM 1189 CA VAL A 84 6.469 13.294 10.692 1.00 0.00 C ATOM 1190 C VAL A 84 6.578 14.818 10.614 1.00 0.00 C ATOM 1191 O VAL A 84 7.674 15.366 10.478 1.00 0.00 O ATOM 1192 CB VAL A 84 6.901 12.825 12.100 1.00 0.00 C ATOM 1193 CG1 VAL A 84 5.972 13.387 13.170 1.00 0.00 C ATOM 1194 CG2 VAL A 84 6.944 11.304 12.178 1.00 0.00 C ATOM 0 H VAL A 84 8.019 12.068 9.987 1.00 0.00 H new ATOM 0 HA VAL A 84 5.433 12.998 10.528 1.00 0.00 H new ATOM 0 HB VAL A 84 7.906 13.206 12.284 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.297 13.042 14.152 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.000 14.476 13.140 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.954 13.045 12.984 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.251 11.000 13.179 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.954 10.901 11.963 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.658 10.922 11.448 1.00 0.00 H new ATOM 1204 N SER A 85 5.432 15.494 10.709 1.00 0.00 N ATOM 1205 CA SER A 85 5.386 16.953 10.657 1.00 0.00 C ATOM 1206 C SER A 85 5.145 17.542 12.046 1.00 0.00 C ATOM 1207 O SER A 85 4.838 16.815 12.994 1.00 0.00 O ATOM 1208 CB SER A 85 4.290 17.416 9.695 1.00 0.00 C ATOM 1209 OG SER A 85 4.693 18.569 8.978 1.00 0.00 O ATOM 0 H SER A 85 4.521 15.051 10.823 1.00 0.00 H new ATOM 0 HA SER A 85 6.351 17.309 10.295 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.053 16.614 8.996 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.379 17.631 10.254 1.00 0.00 H new ATOM 0 HG SER A 85 3.976 18.843 8.369 1.00 0.00 H new ATOM 1215 N GLY A 86 5.283 18.865 12.159 1.00 0.00 N ATOM 1216 CA GLY A 86 5.072 19.528 13.438 1.00 0.00 C ATOM 1217 C GLY A 86 5.418 21.011 13.416 1.00 0.00 C ATOM 1218 O GLY A 86 4.746 21.813 14.066 1.00 0.00 O ATOM 0 H GLY A 86 5.536 19.486 11.391 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.029 19.410 13.732 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.675 19.033 14.199 1.00 0.00 H new ATOM 1222 N GLY A 87 6.468 21.376 12.675 1.00 0.00 N ATOM 1223 CA GLY A 87 6.870 22.771 12.594 1.00 0.00 C ATOM 1224 C GLY A 87 6.104 23.540 11.535 1.00 0.00 C ATOM 1225 O GLY A 87 4.855 23.505 11.556 1.00 0.00 O ATOM 0 H GLY A 87 7.043 20.732 12.133 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.718 23.246 13.563 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.937 22.825 12.377 1.00 0.00 H new TER 1229 GLY A 87