USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 853 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+ 175:sc= -0.225 (180deg=-0.304) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.437 F(o=-1,f=-0.44) USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= -0.0633 (180deg=-0.386) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 167:sc= 0 (180deg=-0.337) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -38:sc= 0.75 USER MOD Single : A 33 ASN : amide:sc= -1.87! C(o=-1.9!,f=-4!) USER MOD Single : A 48 ASN : amide:sc= -1.02 X(o=-1,f=-1.2) USER MOD Single : A 50 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.5!) USER MOD Single : A 60 LYS NZ :NH3+ -163:sc= -0.0529 (180deg=-0.434) USER MOD Single : A 66 SER OG : rot -33:sc= 0.652 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -90:sc= -0.171 USER MOD Single : A 79 GLN :FLIP amide:sc= -1.93! C(o=-8.3!,f=-1.9!) USER MOD Single : A 89 MET CE :methyl -174:sc= -6! (180deg=-6.33!) USER MOD Single : A 91 LYS NZ :NH3+ -170:sc= -0.0204 (180deg=-0.171) USER MOD Single : A 95 THR OG1 : rot -76:sc= 0.0124 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 102 LYS NZ :NH3+ 162:sc= -0.0631 (180deg=-0.384) USER MOD Single : A 106 ASN :FLIP amide:sc= -2.03 F(o=-4!,f=-2) USER MOD Single : A 107 TYR OH : rot -130:sc= -1.08 USER MOD Single : A 110 THR OG1 : rot -3:sc= 0.203 USER MOD Single : A 111 HIS : no HE2:sc= -0.759 K(o=-0.76,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.063 9.636 9.076 1.00 0.00 N ATOM 2 CA MET A 1 -9.016 8.954 9.988 1.00 0.00 C ATOM 3 C MET A 1 -9.813 9.969 10.801 1.00 0.00 C ATOM 4 O MET A 1 -11.023 9.824 10.979 1.00 0.00 O ATOM 5 CB MET A 1 -8.263 8.009 10.929 1.00 0.00 C ATOM 6 CG MET A 1 -7.187 8.699 11.752 1.00 0.00 C ATOM 7 SD MET A 1 -6.312 7.564 12.846 1.00 0.00 S ATOM 8 CE MET A 1 -5.192 8.691 13.673 1.00 0.00 C ATOM 0 H1 MET A 1 -7.474 8.926 8.596 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.592 10.184 8.367 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.455 10.277 9.625 1.00 0.00 H new ATOM 0 HA MET A 1 -9.712 8.376 9.380 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.977 7.536 11.603 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.805 7.214 10.341 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.471 9.175 11.081 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.642 9.491 12.346 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.579 8.138 14.385 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.548 9.170 12.936 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.766 9.452 14.202 1.00 0.00 H new ATOM 18 N ALA A 2 -9.128 10.997 11.291 1.00 0.00 N ATOM 19 CA ALA A 2 -9.772 12.037 12.084 1.00 0.00 C ATOM 20 C ALA A 2 -10.070 13.266 11.232 1.00 0.00 C ATOM 21 O ALA A 2 -9.224 13.716 10.458 1.00 0.00 O ATOM 22 CB ALA A 2 -8.902 12.411 13.274 1.00 0.00 C ATOM 0 H ALA A 2 -8.126 11.132 11.153 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.719 11.645 12.455 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.397 13.189 13.856 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.745 11.533 13.900 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.940 12.780 12.919 1.00 0.00 H new ATOM 28 N ASP A 3 -11.280 13.799 11.381 1.00 0.00 N ATOM 29 CA ASP A 3 -11.709 14.978 10.629 1.00 0.00 C ATOM 30 C ASP A 3 -11.736 14.688 9.131 1.00 0.00 C ATOM 31 O ASP A 3 -11.844 15.601 8.313 1.00 0.00 O ATOM 32 CB ASP A 3 -10.786 16.165 10.922 1.00 0.00 C ATOM 33 CG ASP A 3 -11.361 17.481 10.433 1.00 0.00 C ATOM 34 OD1 ASP A 3 -12.230 18.044 11.132 1.00 0.00 O ATOM 35 OD2 ASP A 3 -10.942 17.948 9.353 1.00 0.00 O ATOM 0 H ASP A 3 -11.985 13.431 12.019 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.720 15.233 10.947 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.608 16.226 11.996 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.819 15.996 10.448 1.00 0.00 H new ATOM 40 N GLU A 4 -11.644 13.409 8.779 1.00 0.00 N ATOM 41 CA GLU A 4 -11.663 12.996 7.381 1.00 0.00 C ATOM 42 C GLU A 4 -12.709 11.910 7.148 1.00 0.00 C ATOM 43 O GLU A 4 -13.081 11.628 6.010 1.00 0.00 O ATOM 44 CB GLU A 4 -10.282 12.495 6.954 1.00 0.00 C ATOM 45 CG GLU A 4 -9.213 13.573 6.967 1.00 0.00 C ATOM 46 CD GLU A 4 -7.850 13.047 6.560 1.00 0.00 C ATOM 47 OE1 GLU A 4 -7.589 12.949 5.344 1.00 0.00 O ATOM 48 OE2 GLU A 4 -7.042 12.737 7.461 1.00 0.00 O ATOM 0 H GLU A 4 -11.555 12.641 9.444 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.927 13.863 6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.978 11.685 7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.351 12.076 5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.505 14.377 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.149 14.004 7.966 1.00 0.00 H new ATOM 55 N ASN A 5 -13.179 11.305 8.236 1.00 0.00 N ATOM 56 CA ASN A 5 -14.184 10.251 8.150 1.00 0.00 C ATOM 57 C ASN A 5 -15.537 10.824 7.738 1.00 0.00 C ATOM 58 O ASN A 5 -16.171 11.555 8.499 1.00 0.00 O ATOM 59 CB ASN A 5 -14.303 9.517 9.489 1.00 0.00 C ATOM 60 CG ASN A 5 -14.604 10.453 10.644 1.00 0.00 C ATOM 61 OD1 ASN A 5 -15.885 10.607 10.964 1.00 0.00 O flip ATOM 62 ND2 ASN A 5 -13.697 11.025 11.247 1.00 0.00 N flip ATOM 0 H ASN A 5 -12.880 11.527 9.186 1.00 0.00 H new ATOM 0 HA ASN A 5 -13.867 9.540 7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -15.091 8.767 9.419 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -13.374 8.984 9.691 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.727 10.878 10.968 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.915 11.646 12.026 1.00 0.00 H new ATOM 69 N LYS A 6 -15.973 10.490 6.525 1.00 0.00 N ATOM 70 CA LYS A 6 -17.250 10.973 6.011 1.00 0.00 C ATOM 71 C LYS A 6 -17.606 10.285 4.695 1.00 0.00 C ATOM 72 O LYS A 6 -18.718 9.783 4.527 1.00 0.00 O ATOM 73 CB LYS A 6 -17.199 12.490 5.812 1.00 0.00 C ATOM 74 CG LYS A 6 -18.532 13.099 5.409 1.00 0.00 C ATOM 75 CD LYS A 6 -18.425 14.605 5.238 1.00 0.00 C ATOM 76 CE LYS A 6 -19.767 15.224 4.880 1.00 0.00 C ATOM 77 NZ LYS A 6 -20.821 14.875 5.871 1.00 0.00 N ATOM 0 H LYS A 6 -15.460 9.887 5.881 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.022 10.734 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.861 12.958 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.458 12.722 5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.872 12.649 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.282 12.870 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.052 15.051 6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.699 14.833 4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.664 16.308 4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.072 14.883 3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.625 15.526 5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.142 13.899 5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.433 14.955 6.833 1.00 0.00 H new ATOM 91 N TRP A 7 -16.655 10.266 3.765 1.00 0.00 N ATOM 92 CA TRP A 7 -16.868 9.640 2.461 1.00 0.00 C ATOM 93 C TRP A 7 -16.541 8.150 2.510 1.00 0.00 C ATOM 94 O TRP A 7 -16.085 7.573 1.523 1.00 0.00 O ATOM 95 CB TRP A 7 -16.003 10.324 1.401 1.00 0.00 C ATOM 96 CG TRP A 7 -16.217 11.804 1.321 1.00 0.00 C ATOM 97 CD1 TRP A 7 -15.602 12.762 2.074 1.00 0.00 C ATOM 98 CD2 TRP A 7 -17.109 12.497 0.439 1.00 0.00 C ATOM 99 NE1 TRP A 7 -16.055 14.008 1.716 1.00 0.00 N ATOM 100 CE2 TRP A 7 -16.982 13.872 0.714 1.00 0.00 C ATOM 101 CE3 TRP A 7 -18.003 12.089 -0.556 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -17.713 14.838 0.030 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -18.729 13.050 -1.234 1.00 0.00 C ATOM 104 CH2 TRP A 7 -18.580 14.411 -0.939 1.00 0.00 C ATOM 0 H TRP A 7 -15.729 10.676 3.889 1.00 0.00 H new ATOM 0 HA TRP A 7 -17.920 9.755 2.198 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -14.953 10.128 1.618 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -16.216 9.881 0.428 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -14.866 12.568 2.840 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -15.752 14.890 2.128 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -18.124 11.042 -0.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -17.600 15.888 0.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -19.423 12.746 -2.004 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -19.161 15.138 -1.487 1.00 0.00 H new ATOM 115 N VAL A 8 -16.789 7.532 3.660 1.00 0.00 N ATOM 116 CA VAL A 8 -16.515 6.110 3.840 1.00 0.00 C ATOM 117 C VAL A 8 -17.285 5.256 2.835 1.00 0.00 C ATOM 118 O VAL A 8 -16.719 4.355 2.217 1.00 0.00 O ATOM 119 CB VAL A 8 -16.869 5.648 5.269 1.00 0.00 C ATOM 120 CG1 VAL A 8 -16.528 4.178 5.458 1.00 0.00 C ATOM 121 CG2 VAL A 8 -16.151 6.506 6.300 1.00 0.00 C ATOM 0 H VAL A 8 -17.179 7.993 4.482 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.446 5.976 3.672 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.943 5.768 5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -16.785 3.872 6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.093 3.579 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.461 4.028 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.412 6.166 7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.074 6.421 6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.452 7.547 6.180 1.00 0.00 H new ATOM 131 N ARG A 9 -18.574 5.539 2.674 1.00 0.00 N ATOM 132 CA ARG A 9 -19.407 4.783 1.746 1.00 0.00 C ATOM 133 C ARG A 9 -20.159 5.704 0.794 1.00 0.00 C ATOM 134 O ARG A 9 -20.945 5.243 -0.034 1.00 0.00 O ATOM 135 CB ARG A 9 -20.392 3.897 2.512 1.00 0.00 C ATOM 136 CG ARG A 9 -21.256 4.660 3.504 1.00 0.00 C ATOM 137 CD ARG A 9 -22.160 3.723 4.287 1.00 0.00 C ATOM 138 NE ARG A 9 -23.064 2.978 3.414 1.00 0.00 N ATOM 139 CZ ARG A 9 -23.599 1.803 3.734 1.00 0.00 C ATOM 140 NH1 ARG A 9 -23.315 1.235 4.899 1.00 0.00 N ATOM 141 NH2 ARG A 9 -24.418 1.195 2.887 1.00 0.00 N ATOM 0 H ARG A 9 -19.062 6.283 3.172 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.749 4.150 1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -21.038 3.386 1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -19.835 3.127 3.046 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -20.619 5.214 4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -21.862 5.393 2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -21.550 3.024 4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -22.743 4.298 5.006 1.00 0.00 H new ATOM 0 HE ARG A 9 -23.298 3.382 2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -22.685 1.699 5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -23.727 0.334 5.141 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -24.638 1.628 1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -24.828 0.294 3.132 1.00 0.00 H new ATOM 155 N ARG A 10 -19.919 7.004 0.912 1.00 0.00 N ATOM 156 CA ARG A 10 -20.572 7.971 0.042 1.00 0.00 C ATOM 157 C ARG A 10 -20.130 7.751 -1.399 1.00 0.00 C ATOM 158 O ARG A 10 -18.999 8.076 -1.761 1.00 0.00 O ATOM 159 CB ARG A 10 -20.250 9.401 0.485 1.00 0.00 C ATOM 160 CG ARG A 10 -20.665 9.709 1.917 1.00 0.00 C ATOM 161 CD ARG A 10 -22.175 9.630 2.101 1.00 0.00 C ATOM 162 NE ARG A 10 -22.664 8.253 2.072 1.00 0.00 N ATOM 163 CZ ARG A 10 -23.931 7.925 1.831 1.00 0.00 C ATOM 164 NH1 ARG A 10 -24.834 8.870 1.603 1.00 0.00 N ATOM 165 NH2 ARG A 10 -24.295 6.650 1.817 1.00 0.00 N ATOM 0 H ARG A 10 -19.281 7.410 1.597 1.00 0.00 H new ATOM 0 HA ARG A 10 -21.651 7.829 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -19.178 9.570 0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -20.749 10.100 -0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -20.180 9.007 2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -20.318 10.706 2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -22.448 10.091 3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -22.665 10.204 1.315 1.00 0.00 H new ATOM 0 HE ARG A 10 -21.997 7.501 2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -24.558 9.852 1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -25.804 8.615 1.419 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -23.604 5.920 1.991 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -25.266 6.399 1.632 1.00 0.00 H new ATOM 179 N ASP A 11 -21.029 7.176 -2.203 1.00 0.00 N ATOM 180 CA ASP A 11 -20.759 6.885 -3.613 1.00 0.00 C ATOM 181 C ASP A 11 -19.897 5.633 -3.756 1.00 0.00 C ATOM 182 O ASP A 11 -20.050 4.868 -4.710 1.00 0.00 O ATOM 183 CB ASP A 11 -20.078 8.070 -4.299 1.00 0.00 C ATOM 184 CG ASP A 11 -19.961 7.884 -5.798 1.00 0.00 C ATOM 185 OD1 ASP A 11 -18.974 7.265 -6.243 1.00 0.00 O ATOM 186 OD2 ASP A 11 -20.859 8.357 -6.527 1.00 0.00 O ATOM 0 H ASP A 11 -21.962 6.900 -1.896 1.00 0.00 H new ATOM 0 HA ASP A 11 -21.717 6.707 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -20.643 8.979 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -19.084 8.209 -3.875 1.00 0.00 H new ATOM 191 N VAL A 12 -18.991 5.428 -2.803 1.00 0.00 N ATOM 192 CA VAL A 12 -18.113 4.269 -2.816 1.00 0.00 C ATOM 193 C VAL A 12 -18.788 3.069 -2.157 1.00 0.00 C ATOM 194 O VAL A 12 -18.776 2.928 -0.935 1.00 0.00 O ATOM 195 CB VAL A 12 -16.784 4.570 -2.096 1.00 0.00 C ATOM 196 CG1 VAL A 12 -15.825 5.292 -3.029 1.00 0.00 C ATOM 197 CG2 VAL A 12 -17.025 5.391 -0.839 1.00 0.00 C ATOM 0 H VAL A 12 -18.848 6.054 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 12 -17.902 4.032 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.333 3.622 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.892 5.497 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.623 4.666 -3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.272 6.231 -3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.073 5.591 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -17.501 6.334 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.674 4.836 -0.161 1.00 0.00 H new ATOM 207 N SER A 13 -19.380 2.205 -2.978 1.00 0.00 N ATOM 208 CA SER A 13 -20.074 1.022 -2.479 1.00 0.00 C ATOM 209 C SER A 13 -19.102 -0.125 -2.211 1.00 0.00 C ATOM 210 O SER A 13 -17.885 0.067 -2.199 1.00 0.00 O ATOM 211 CB SER A 13 -21.141 0.576 -3.478 1.00 0.00 C ATOM 212 OG SER A 13 -22.096 1.601 -3.697 1.00 0.00 O ATOM 0 H SER A 13 -19.393 2.303 -3.993 1.00 0.00 H new ATOM 0 HA SER A 13 -20.550 1.289 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 13 -20.669 0.307 -4.423 1.00 0.00 H new ATOM 0 HB3 SER A 13 -21.641 -0.318 -3.105 1.00 0.00 H new ATOM 0 HG SER A 13 -22.767 1.291 -4.341 1.00 0.00 H new ATOM 218 N THR A 14 -19.655 -1.318 -1.994 1.00 0.00 N ATOM 219 CA THR A 14 -18.857 -2.511 -1.720 1.00 0.00 C ATOM 220 C THR A 14 -18.076 -2.355 -0.415 1.00 0.00 C ATOM 221 O THR A 14 -18.013 -1.263 0.152 1.00 0.00 O ATOM 222 CB THR A 14 -17.886 -2.823 -2.873 1.00 0.00 C ATOM 223 OG1 THR A 14 -18.523 -2.568 -4.130 1.00 0.00 O ATOM 224 CG2 THR A 14 -17.432 -4.275 -2.824 1.00 0.00 C ATOM 0 H THR A 14 -20.661 -1.484 -2.003 1.00 0.00 H new ATOM 0 HA THR A 14 -19.551 -3.346 -1.623 1.00 0.00 H new ATOM 0 HB THR A 14 -17.013 -2.179 -2.765 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.899 -2.767 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.747 -4.470 -3.649 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.925 -4.466 -1.878 1.00 0.00 H new ATOM 0 HG23 THR A 14 -18.299 -4.930 -2.910 1.00 0.00 H new ATOM 232 N ALA A 15 -17.486 -3.447 0.062 1.00 0.00 N ATOM 233 CA ALA A 15 -16.736 -3.418 1.313 1.00 0.00 C ATOM 234 C ALA A 15 -15.235 -3.216 1.102 1.00 0.00 C ATOM 235 O ALA A 15 -14.690 -2.171 1.449 1.00 0.00 O ATOM 236 CB ALA A 15 -16.986 -4.699 2.094 1.00 0.00 C ATOM 0 H ALA A 15 -17.512 -4.358 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.093 -2.559 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.423 -4.672 3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -18.050 -4.789 2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.664 -5.555 1.501 1.00 0.00 H new ATOM 242 N LEU A 16 -14.567 -4.213 0.531 1.00 0.00 N ATOM 243 CA LEU A 16 -13.123 -4.130 0.316 1.00 0.00 C ATOM 244 C LEU A 16 -12.770 -3.436 -0.998 1.00 0.00 C ATOM 245 O LEU A 16 -11.663 -2.917 -1.148 1.00 0.00 O ATOM 246 CB LEU A 16 -12.500 -5.526 0.350 1.00 0.00 C ATOM 247 CG LEU A 16 -13.097 -6.486 1.382 1.00 0.00 C ATOM 248 CD1 LEU A 16 -12.369 -7.821 1.351 1.00 0.00 C ATOM 249 CD2 LEU A 16 -13.040 -5.881 2.778 1.00 0.00 C ATOM 0 H LEU A 16 -14.996 -5.081 0.211 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.714 -3.526 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.600 -5.974 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.433 -5.425 0.548 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.143 -6.655 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.806 -8.491 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.463 -8.264 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.315 -7.666 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.470 -6.580 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.003 -5.679 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.607 -4.950 2.795 1.00 0.00 H new ATOM 261 N SER A 17 -13.700 -3.428 -1.947 1.00 0.00 N ATOM 262 CA SER A 17 -13.453 -2.803 -3.245 1.00 0.00 C ATOM 263 C SER A 17 -13.045 -1.341 -3.089 1.00 0.00 C ATOM 264 O SER A 17 -12.063 -0.899 -3.685 1.00 0.00 O ATOM 265 CB SER A 17 -14.689 -2.904 -4.138 1.00 0.00 C ATOM 266 OG SER A 17 -14.420 -2.409 -5.438 1.00 0.00 O ATOM 0 H SER A 17 -14.626 -3.844 -1.845 1.00 0.00 H new ATOM 0 HA SER A 17 -12.630 -3.341 -3.715 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.012 -3.943 -4.201 1.00 0.00 H new ATOM 0 HB3 SER A 17 -15.510 -2.341 -3.694 1.00 0.00 H new ATOM 0 HG SER A 17 -15.226 -2.486 -5.991 1.00 0.00 H new ATOM 272 N ARG A 18 -13.801 -0.593 -2.289 1.00 0.00 N ATOM 273 CA ARG A 18 -13.502 0.819 -2.070 1.00 0.00 C ATOM 274 C ARG A 18 -14.257 1.365 -0.858 1.00 0.00 C ATOM 275 O ARG A 18 -15.429 1.728 -0.956 1.00 0.00 O ATOM 276 CB ARG A 18 -13.859 1.633 -3.316 1.00 0.00 C ATOM 277 CG ARG A 18 -13.241 3.022 -3.340 1.00 0.00 C ATOM 278 CD ARG A 18 -11.804 2.990 -3.839 1.00 0.00 C ATOM 279 NE ARG A 18 -10.921 2.256 -2.936 1.00 0.00 N ATOM 280 CZ ARG A 18 -9.693 1.865 -3.264 1.00 0.00 C ATOM 281 NH1 ARG A 18 -9.209 2.125 -4.471 1.00 0.00 N ATOM 282 NH2 ARG A 18 -8.947 1.210 -2.383 1.00 0.00 N ATOM 0 H ARG A 18 -14.618 -0.938 -1.786 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.434 0.909 -1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.535 1.086 -4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.943 1.727 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.835 3.673 -3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.269 3.450 -2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.775 2.530 -4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.438 4.010 -3.952 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.265 2.031 -2.003 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.779 2.627 -5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.267 1.823 -4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.316 1.006 -1.454 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.005 0.910 -2.635 1.00 0.00 H new ATOM 296 N MET A 19 -13.575 1.415 0.283 1.00 0.00 N ATOM 297 CA MET A 19 -14.170 1.923 1.517 1.00 0.00 C ATOM 298 C MET A 19 -13.227 2.899 2.212 1.00 0.00 C ATOM 299 O MET A 19 -13.652 3.713 3.032 1.00 0.00 O ATOM 300 CB MET A 19 -14.510 0.768 2.461 1.00 0.00 C ATOM 301 CG MET A 19 -15.935 0.258 2.323 1.00 0.00 C ATOM 302 SD MET A 19 -17.143 1.344 3.109 1.00 0.00 S ATOM 303 CE MET A 19 -18.641 0.383 2.909 1.00 0.00 C ATOM 0 H MET A 19 -12.607 1.109 0.379 1.00 0.00 H new ATOM 0 HA MET A 19 -15.087 2.451 1.256 1.00 0.00 H new ATOM 0 HB2 MET A 19 -13.820 -0.055 2.275 1.00 0.00 H new ATOM 0 HB3 MET A 19 -14.349 1.093 3.489 1.00 0.00 H new ATOM 0 HG2 MET A 19 -16.179 0.155 1.266 1.00 0.00 H new ATOM 0 HG3 MET A 19 -16.005 -0.736 2.764 1.00 0.00 H new ATOM 0 HE1 MET A 19 -19.428 0.801 3.537 1.00 0.00 H new ATOM 0 HE2 MET A 19 -18.955 0.412 1.866 1.00 0.00 H new ATOM 0 HE3 MET A 19 -18.453 -0.650 3.203 1.00 0.00 H new ATOM 313 N GLY A 20 -11.944 2.808 1.879 1.00 0.00 N ATOM 314 CA GLY A 20 -10.956 3.685 2.479 1.00 0.00 C ATOM 315 C GLY A 20 -10.331 3.085 3.724 1.00 0.00 C ATOM 316 O GLY A 20 -9.663 2.052 3.655 1.00 0.00 O ATOM 0 H GLY A 20 -11.570 2.142 1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.174 3.899 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.425 4.636 2.733 1.00 0.00 H new ATOM 320 N ASP A 21 -10.550 3.730 4.867 1.00 0.00 N ATOM 321 CA ASP A 21 -10.002 3.252 6.131 1.00 0.00 C ATOM 322 C ASP A 21 -10.892 2.173 6.739 1.00 0.00 C ATOM 323 O ASP A 21 -10.461 1.421 7.615 1.00 0.00 O ATOM 324 CB ASP A 21 -9.844 4.412 7.116 1.00 0.00 C ATOM 325 CG ASP A 21 -8.861 5.458 6.626 1.00 0.00 C ATOM 326 OD1 ASP A 21 -7.651 5.306 6.895 1.00 0.00 O ATOM 327 OD2 ASP A 21 -9.302 6.428 5.975 1.00 0.00 O ATOM 0 H ASP A 21 -11.103 4.584 4.943 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.022 2.819 5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.815 4.879 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.509 4.025 8.078 1.00 0.00 H new ATOM 332 N GLU A 22 -12.134 2.104 6.274 1.00 0.00 N ATOM 333 CA GLU A 22 -13.083 1.115 6.769 1.00 0.00 C ATOM 334 C GLU A 22 -12.713 -0.283 6.284 1.00 0.00 C ATOM 335 O GLU A 22 -12.981 -1.275 6.960 1.00 0.00 O ATOM 336 CB GLU A 22 -14.502 1.467 6.317 1.00 0.00 C ATOM 337 CG GLU A 22 -15.557 0.478 6.787 1.00 0.00 C ATOM 338 CD GLU A 22 -15.645 0.392 8.299 1.00 0.00 C ATOM 339 OE1 GLU A 22 -14.856 -0.371 8.896 1.00 0.00 O ATOM 340 OE2 GLU A 22 -16.501 1.088 8.884 1.00 0.00 O ATOM 0 H GLU A 22 -12.507 2.722 5.554 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.045 1.124 7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.756 2.460 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.525 1.519 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.528 0.770 6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.330 -0.509 6.383 1.00 0.00 H new ATOM 347 N ALA A 23 -12.094 -0.351 5.109 1.00 0.00 N ATOM 348 CA ALA A 23 -11.689 -1.627 4.531 1.00 0.00 C ATOM 349 C ALA A 23 -10.204 -1.880 4.747 1.00 0.00 C ATOM 350 O ALA A 23 -9.661 -2.878 4.277 1.00 0.00 O ATOM 351 CB ALA A 23 -12.021 -1.665 3.048 1.00 0.00 C ATOM 0 H ALA A 23 -11.862 0.463 4.539 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.244 -2.418 5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.713 -2.624 2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.095 -1.539 2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.493 -0.860 2.536 1.00 0.00 H new ATOM 357 N PHE A 24 -9.554 -0.968 5.461 1.00 0.00 N ATOM 358 CA PHE A 24 -8.134 -1.089 5.746 1.00 0.00 C ATOM 359 C PHE A 24 -7.835 -2.409 6.444 1.00 0.00 C ATOM 360 O PHE A 24 -7.128 -3.260 5.906 1.00 0.00 O ATOM 361 CB PHE A 24 -7.679 0.085 6.612 1.00 0.00 C ATOM 362 CG PHE A 24 -6.210 0.375 6.512 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.547 0.268 5.299 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.493 0.758 7.632 1.00 0.00 C ATOM 365 CE1 PHE A 24 -4.201 0.536 5.207 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.145 1.028 7.545 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.497 0.917 6.331 1.00 0.00 C ATOM 0 H PHE A 24 -9.992 -0.135 5.853 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.585 -1.072 4.804 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.237 0.976 6.323 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.929 -0.124 7.652 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.094 -0.029 4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.995 0.846 8.584 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.696 0.448 4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.596 1.326 8.426 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.440 1.128 6.261 1.00 0.00 H new ATOM 377 N GLU A 25 -8.362 -2.571 7.653 1.00 0.00 N ATOM 378 CA GLU A 25 -8.149 -3.800 8.410 1.00 0.00 C ATOM 379 C GLU A 25 -8.756 -5.016 7.709 1.00 0.00 C ATOM 380 O GLU A 25 -8.079 -6.025 7.555 1.00 0.00 O ATOM 381 CB GLU A 25 -8.715 -3.712 9.819 1.00 0.00 C ATOM 382 CG GLU A 25 -9.439 -2.410 10.131 1.00 0.00 C ATOM 383 CD GLU A 25 -10.077 -2.415 11.506 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.388 -2.051 12.483 1.00 0.00 O ATOM 385 OE2 GLU A 25 -11.268 -2.783 11.606 1.00 0.00 O ATOM 0 H GLU A 25 -8.935 -1.873 8.127 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.068 -3.924 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.405 -4.542 9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.901 -3.839 10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.734 -1.581 10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.208 -2.236 9.378 1.00 0.00 H new ATOM 392 N PRO A 26 -10.049 -4.961 7.295 1.00 0.00 N ATOM 393 CA PRO A 26 -10.693 -6.087 6.611 1.00 0.00 C ATOM 394 C PRO A 26 -9.789 -6.650 5.530 1.00 0.00 C ATOM 395 O PRO A 26 -9.885 -7.816 5.146 1.00 0.00 O ATOM 396 CB PRO A 26 -11.943 -5.470 5.989 1.00 0.00 C ATOM 397 CG PRO A 26 -12.260 -4.283 6.832 1.00 0.00 C ATOM 398 CD PRO A 26 -10.966 -3.815 7.452 1.00 0.00 C ATOM 0 HA PRO A 26 -10.916 -6.914 7.285 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.764 -5.180 4.954 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.770 -6.180 5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.706 -3.492 6.229 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.984 -4.542 7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.582 -2.927 6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.100 -3.554 8.502 1.00 0.00 H new ATOM 406 N LEU A 27 -8.909 -5.786 5.053 1.00 0.00 N ATOM 407 CA LEU A 27 -7.941 -6.124 4.036 1.00 0.00 C ATOM 408 C LEU A 27 -6.739 -6.802 4.687 1.00 0.00 C ATOM 409 O LEU A 27 -6.260 -7.838 4.224 1.00 0.00 O ATOM 410 CB LEU A 27 -7.543 -4.830 3.330 1.00 0.00 C ATOM 411 CG LEU A 27 -6.077 -4.699 2.932 1.00 0.00 C ATOM 412 CD1 LEU A 27 -5.731 -5.677 1.819 1.00 0.00 C ATOM 413 CD2 LEU A 27 -5.784 -3.269 2.508 1.00 0.00 C ATOM 0 H LEU A 27 -8.850 -4.818 5.369 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.354 -6.820 3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.151 -4.730 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.796 -3.993 3.981 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.455 -4.943 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.680 -5.566 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.913 -6.696 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.352 -5.470 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.735 -3.181 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.413 -3.006 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.994 -2.593 3.337 1.00 0.00 H new ATOM 425 N LEU A 28 -6.263 -6.194 5.768 1.00 0.00 N ATOM 426 CA LEU A 28 -5.141 -6.719 6.535 1.00 0.00 C ATOM 427 C LEU A 28 -5.459 -8.128 7.035 1.00 0.00 C ATOM 428 O LEU A 28 -4.602 -9.012 7.037 1.00 0.00 O ATOM 429 CB LEU A 28 -4.873 -5.791 7.728 1.00 0.00 C ATOM 430 CG LEU A 28 -3.468 -5.846 8.340 1.00 0.00 C ATOM 431 CD1 LEU A 28 -3.184 -7.209 8.952 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.415 -5.496 7.298 1.00 0.00 C ATOM 0 H LEU A 28 -6.645 -5.323 6.137 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.257 -6.766 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.067 -4.766 7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.595 -6.025 8.511 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.424 -5.106 9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.180 -7.215 9.377 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.912 -7.414 9.737 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.256 -7.976 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.425 -5.541 7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.469 -6.207 6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.596 -4.489 6.921 1.00 0.00 H new ATOM 444 N GLU A 29 -6.708 -8.321 7.449 1.00 0.00 N ATOM 445 CA GLU A 29 -7.167 -9.600 7.970 1.00 0.00 C ATOM 446 C GLU A 29 -7.013 -10.712 6.933 1.00 0.00 C ATOM 447 O GLU A 29 -6.824 -11.877 7.282 1.00 0.00 O ATOM 448 CB GLU A 29 -8.633 -9.493 8.399 1.00 0.00 C ATOM 449 CG GLU A 29 -9.200 -10.784 8.967 1.00 0.00 C ATOM 450 CD GLU A 29 -8.447 -11.261 10.194 1.00 0.00 C ATOM 451 OE1 GLU A 29 -8.782 -10.806 11.309 1.00 0.00 O ATOM 452 OE2 GLU A 29 -7.525 -12.088 10.041 1.00 0.00 O ATOM 0 H GLU A 29 -7.426 -7.597 7.432 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.550 -9.852 8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.727 -8.706 9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.232 -9.190 7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.249 -10.634 9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.167 -11.559 8.201 1.00 0.00 H new ATOM 459 N SER A 30 -7.093 -10.341 5.659 1.00 0.00 N ATOM 460 CA SER A 30 -6.977 -11.305 4.568 1.00 0.00 C ATOM 461 C SER A 30 -5.588 -11.935 4.521 1.00 0.00 C ATOM 462 O SER A 30 -5.412 -13.023 3.974 1.00 0.00 O ATOM 463 CB SER A 30 -7.287 -10.630 3.231 1.00 0.00 C ATOM 464 OG SER A 30 -8.587 -10.065 3.234 1.00 0.00 O ATOM 0 H SER A 30 -7.238 -9.378 5.355 1.00 0.00 H new ATOM 0 HA SER A 30 -7.701 -12.099 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.549 -9.852 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.206 -11.359 2.425 1.00 0.00 H new ATOM 0 HG SER A 30 -8.760 -9.638 2.369 1.00 0.00 H new ATOM 470 N LEU A 31 -4.605 -11.249 5.095 1.00 0.00 N ATOM 471 CA LEU A 31 -3.234 -11.751 5.109 1.00 0.00 C ATOM 472 C LEU A 31 -3.105 -12.968 6.021 1.00 0.00 C ATOM 473 O LEU A 31 -2.088 -13.663 6.001 1.00 0.00 O ATOM 474 CB LEU A 31 -2.269 -10.651 5.561 1.00 0.00 C ATOM 475 CG LEU A 31 -2.347 -9.349 4.762 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.375 -8.322 5.320 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.063 -9.605 3.288 1.00 0.00 C ATOM 0 H LEU A 31 -4.730 -10.347 5.555 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.976 -12.055 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.464 -10.427 6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.251 -11.035 5.501 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.358 -8.953 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.444 -7.402 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.624 -8.114 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.359 -8.713 5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.123 -8.666 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.064 -10.027 3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.798 -10.306 2.892 1.00 0.00 H new ATOM 489 N SER A 32 -4.140 -13.220 6.816 1.00 0.00 N ATOM 490 CA SER A 32 -4.142 -14.355 7.733 1.00 0.00 C ATOM 491 C SER A 32 -5.127 -15.422 7.268 1.00 0.00 C ATOM 492 O SER A 32 -5.455 -16.346 8.013 1.00 0.00 O ATOM 493 CB SER A 32 -4.501 -13.892 9.147 1.00 0.00 C ATOM 494 OG SER A 32 -4.382 -14.954 10.077 1.00 0.00 O ATOM 0 H SER A 32 -4.988 -12.654 6.844 1.00 0.00 H new ATOM 0 HA SER A 32 -3.142 -14.788 7.744 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.847 -13.072 9.441 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.521 -13.507 9.159 1.00 0.00 H new ATOM 0 HG SER A 32 -4.699 -15.785 9.666 1.00 0.00 H new ATOM 500 N ASN A 33 -5.592 -15.290 6.029 1.00 0.00 N ATOM 501 CA ASN A 33 -6.541 -16.239 5.463 1.00 0.00 C ATOM 502 C ASN A 33 -5.836 -17.516 5.012 1.00 0.00 C ATOM 503 O ASN A 33 -4.778 -17.464 4.387 1.00 0.00 O ATOM 504 CB ASN A 33 -7.276 -15.605 4.281 1.00 0.00 C ATOM 505 CG ASN A 33 -8.427 -16.459 3.791 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.741 -16.476 2.600 1.00 0.00 O ATOM 507 ND2 ASN A 33 -9.066 -17.171 4.710 1.00 0.00 N ATOM 0 H ASN A 33 -5.326 -14.534 5.399 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.262 -16.501 6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.653 -14.625 4.575 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.573 -15.444 3.464 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.852 -17.763 4.441 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.771 -17.126 5.686 1.00 0.00 H new ATOM 514 N GLU A 34 -6.433 -18.660 5.337 1.00 0.00 N ATOM 515 CA GLU A 34 -5.873 -19.952 4.972 1.00 0.00 C ATOM 516 C GLU A 34 -5.701 -20.072 3.460 1.00 0.00 C ATOM 517 O GLU A 34 -4.841 -20.811 2.980 1.00 0.00 O ATOM 518 CB GLU A 34 -6.777 -21.072 5.487 1.00 0.00 C ATOM 519 CG GLU A 34 -6.202 -22.458 5.270 1.00 0.00 C ATOM 520 CD GLU A 34 -7.140 -23.558 5.730 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.235 -23.786 6.954 1.00 0.00 O ATOM 522 OE2 GLU A 34 -7.778 -24.193 4.865 1.00 0.00 O ATOM 0 H GLU A 34 -7.310 -18.715 5.856 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.888 -20.040 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.956 -20.924 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.744 -21.006 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.981 -22.594 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.257 -22.543 5.807 1.00 0.00 H new ATOM 529 N ASP A 35 -6.524 -19.341 2.715 1.00 0.00 N ATOM 530 CA ASP A 35 -6.461 -19.367 1.258 1.00 0.00 C ATOM 531 C ASP A 35 -5.411 -18.392 0.738 1.00 0.00 C ATOM 532 O ASP A 35 -5.376 -17.229 1.141 1.00 0.00 O ATOM 533 CB ASP A 35 -7.827 -19.025 0.661 1.00 0.00 C ATOM 534 CG ASP A 35 -8.924 -19.943 1.163 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.102 -21.032 0.577 1.00 0.00 O ATOM 536 OD2 ASP A 35 -9.605 -19.573 2.142 1.00 0.00 O ATOM 0 H ASP A 35 -7.242 -18.724 3.096 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.178 -20.374 0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.080 -17.994 0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.772 -19.090 -0.426 1.00 0.00 H new ATOM 541 N TRP A 36 -4.554 -18.874 -0.156 1.00 0.00 N ATOM 542 CA TRP A 36 -3.503 -18.042 -0.735 1.00 0.00 C ATOM 543 C TRP A 36 -4.039 -17.239 -1.915 1.00 0.00 C ATOM 544 O TRP A 36 -3.538 -16.158 -2.221 1.00 0.00 O ATOM 545 CB TRP A 36 -2.325 -18.908 -1.185 1.00 0.00 C ATOM 546 CG TRP A 36 -2.714 -19.986 -2.150 1.00 0.00 C ATOM 547 CD1 TRP A 36 -3.108 -21.256 -1.844 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.747 -19.889 -3.579 1.00 0.00 C ATOM 549 NE1 TRP A 36 -3.385 -21.955 -2.995 1.00 0.00 N ATOM 550 CE2 TRP A 36 -3.170 -21.137 -4.071 1.00 0.00 C ATOM 551 CE3 TRP A 36 -2.462 -18.868 -4.489 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -3.314 -21.393 -5.431 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -2.604 -19.124 -5.841 1.00 0.00 C ATOM 554 CH2 TRP A 36 -3.028 -20.378 -6.298 1.00 0.00 C ATOM 0 H TRP A 36 -4.566 -19.836 -0.496 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.159 -17.347 0.031 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.571 -18.271 -1.648 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.863 -19.364 -0.309 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.190 -21.654 -0.843 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.699 -22.924 -3.040 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.137 -17.898 -4.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.640 -22.359 -5.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.384 -18.344 -6.555 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.131 -20.546 -7.360 1.00 0.00 H new ATOM 565 N ARG A 37 -5.060 -17.778 -2.573 1.00 0.00 N ATOM 566 CA ARG A 37 -5.675 -17.111 -3.715 1.00 0.00 C ATOM 567 C ARG A 37 -6.287 -15.782 -3.293 1.00 0.00 C ATOM 568 O ARG A 37 -6.166 -14.777 -3.994 1.00 0.00 O ATOM 569 CB ARG A 37 -6.751 -18.004 -4.332 1.00 0.00 C ATOM 570 CG ARG A 37 -6.223 -19.332 -4.847 1.00 0.00 C ATOM 571 CD ARG A 37 -7.359 -20.271 -5.217 1.00 0.00 C ATOM 572 NE ARG A 37 -8.308 -19.646 -6.134 1.00 0.00 N ATOM 573 CZ ARG A 37 -9.490 -20.170 -6.444 1.00 0.00 C ATOM 574 NH1 ARG A 37 -9.865 -21.328 -5.917 1.00 0.00 N ATOM 575 NH2 ARG A 37 -10.299 -19.535 -7.281 1.00 0.00 N ATOM 0 H ARG A 37 -5.480 -18.677 -2.334 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.901 -16.920 -4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.523 -18.195 -3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.227 -17.469 -5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.591 -19.161 -5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.597 -19.797 -4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.950 -21.171 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.881 -20.583 -4.312 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.049 -18.757 -6.561 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.246 -21.819 -5.272 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.772 -21.727 -6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.015 -18.644 -7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.206 -19.938 -7.518 1.00 0.00 H new ATOM 589 N ILE A 38 -6.949 -15.788 -2.139 1.00 0.00 N ATOM 590 CA ILE A 38 -7.584 -14.587 -1.613 1.00 0.00 C ATOM 591 C ILE A 38 -6.558 -13.685 -0.937 1.00 0.00 C ATOM 592 O ILE A 38 -6.694 -12.461 -0.943 1.00 0.00 O ATOM 593 CB ILE A 38 -8.693 -14.940 -0.601 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.649 -15.975 -1.201 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.451 -13.685 -0.188 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.633 -16.545 -0.202 1.00 0.00 C ATOM 0 H ILE A 38 -7.059 -16.614 -1.551 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.029 -14.060 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.232 -15.371 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.202 -15.514 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.066 -16.790 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.231 -13.949 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.761 -12.978 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.905 -13.228 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.277 -17.271 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.089 -17.036 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.243 -15.740 0.208 1.00 0.00 H new ATOM 608 N ARG A 39 -5.531 -14.296 -0.355 1.00 0.00 N ATOM 609 CA ARG A 39 -4.478 -13.546 0.321 1.00 0.00 C ATOM 610 C ARG A 39 -3.696 -12.700 -0.677 1.00 0.00 C ATOM 611 O ARG A 39 -3.271 -11.587 -0.363 1.00 0.00 O ATOM 612 CB ARG A 39 -3.527 -14.493 1.054 1.00 0.00 C ATOM 613 CG ARG A 39 -2.425 -13.772 1.817 1.00 0.00 C ATOM 614 CD ARG A 39 -1.355 -14.735 2.299 1.00 0.00 C ATOM 615 NE ARG A 39 -1.897 -15.765 3.180 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.386 -16.989 3.284 1.00 0.00 C ATOM 617 NH1 ARG A 39 -0.335 -17.335 2.554 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.928 -17.867 4.116 1.00 0.00 N ATOM 0 H ARG A 39 -5.405 -15.308 -0.338 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.949 -12.886 1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.101 -15.105 1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.074 -15.172 0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.972 -13.016 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.856 -13.249 2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.880 -15.208 1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.579 -14.180 2.826 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.713 -15.534 3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.083 -16.662 1.911 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.055 -18.274 2.635 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.738 -17.605 4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.535 -18.805 4.195 1.00 0.00 H new ATOM 632 N GLY A 40 -3.504 -13.237 -1.879 1.00 0.00 N ATOM 633 CA GLY A 40 -2.776 -12.516 -2.906 1.00 0.00 C ATOM 634 C GLY A 40 -3.402 -11.170 -3.209 1.00 0.00 C ATOM 635 O GLY A 40 -2.712 -10.152 -3.248 1.00 0.00 O ATOM 0 H GLY A 40 -3.840 -14.158 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.744 -12.372 -2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.746 -13.115 -3.816 1.00 0.00 H new ATOM 639 N ALA A 41 -4.715 -11.167 -3.421 1.00 0.00 N ATOM 640 CA ALA A 41 -5.445 -9.942 -3.714 1.00 0.00 C ATOM 641 C ALA A 41 -5.233 -8.906 -2.617 1.00 0.00 C ATOM 642 O ALA A 41 -5.162 -7.710 -2.889 1.00 0.00 O ATOM 643 CB ALA A 41 -6.926 -10.238 -3.883 1.00 0.00 C ATOM 0 H ALA A 41 -5.296 -12.005 -3.395 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.060 -9.531 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.459 -9.313 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.065 -10.940 -4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.317 -10.674 -2.964 1.00 0.00 H new ATOM 649 N ALA A 42 -5.136 -9.374 -1.374 1.00 0.00 N ATOM 650 CA ALA A 42 -4.922 -8.483 -0.241 1.00 0.00 C ATOM 651 C ALA A 42 -3.675 -7.638 -0.458 1.00 0.00 C ATOM 652 O ALA A 42 -3.721 -6.414 -0.370 1.00 0.00 O ATOM 653 CB ALA A 42 -4.812 -9.279 1.051 1.00 0.00 C ATOM 0 H ALA A 42 -5.202 -10.362 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.780 -7.816 -0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.652 -8.597 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.732 -9.841 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.972 -9.971 0.982 1.00 0.00 H new ATOM 659 N ALA A 43 -2.560 -8.305 -0.745 1.00 0.00 N ATOM 660 CA ALA A 43 -1.298 -7.618 -0.995 1.00 0.00 C ATOM 661 C ALA A 43 -1.399 -6.758 -2.250 1.00 0.00 C ATOM 662 O ALA A 43 -0.867 -5.650 -2.305 1.00 0.00 O ATOM 663 CB ALA A 43 -0.173 -8.628 -1.150 1.00 0.00 C ATOM 0 H ALA A 43 -2.506 -9.321 -0.810 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.082 -6.972 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.764 -8.103 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.084 -9.216 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.391 -9.290 -1.988 1.00 0.00 H new ATOM 669 N TRP A 44 -2.098 -7.286 -3.251 1.00 0.00 N ATOM 670 CA TRP A 44 -2.274 -6.597 -4.524 1.00 0.00 C ATOM 671 C TRP A 44 -3.053 -5.292 -4.366 1.00 0.00 C ATOM 672 O TRP A 44 -2.871 -4.354 -5.142 1.00 0.00 O ATOM 673 CB TRP A 44 -2.960 -7.522 -5.525 1.00 0.00 C ATOM 674 CG TRP A 44 -1.980 -8.339 -6.307 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.183 -9.340 -5.828 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.674 -8.216 -7.700 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.409 -9.852 -6.839 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.691 -9.179 -7.998 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.138 -7.388 -8.727 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.165 -9.336 -9.278 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.614 -7.544 -9.997 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.637 -8.512 -10.262 1.00 0.00 C ATOM 0 H TRP A 44 -2.555 -8.197 -3.203 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.286 -6.332 -4.901 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.642 -8.186 -4.994 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.564 -6.928 -6.211 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.165 -9.679 -4.803 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.266 -10.610 -6.743 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.892 -6.640 -8.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.588 -10.081 -9.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.964 -6.909 -10.798 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.248 -8.610 -11.265 1.00 0.00 H new ATOM 693 N ILE A 45 -3.922 -5.237 -3.362 1.00 0.00 N ATOM 694 CA ILE A 45 -4.724 -4.045 -3.104 1.00 0.00 C ATOM 695 C ILE A 45 -4.111 -3.200 -1.986 1.00 0.00 C ATOM 696 O ILE A 45 -4.339 -1.992 -1.908 1.00 0.00 O ATOM 697 CB ILE A 45 -6.176 -4.419 -2.725 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.831 -5.233 -3.847 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.996 -3.170 -2.420 1.00 0.00 C ATOM 700 CD1 ILE A 45 -6.939 -4.490 -5.164 1.00 0.00 C ATOM 0 H ILE A 45 -4.089 -6.005 -2.712 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.737 -3.462 -4.025 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.146 -5.033 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.257 -6.146 -4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.829 -5.534 -3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.014 -3.458 -2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.544 -2.632 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.018 -2.526 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.413 -5.132 -5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.539 -3.591 -5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.943 -4.212 -5.508 1.00 0.00 H new ATOM 712 N ILE A 46 -3.327 -3.846 -1.129 1.00 0.00 N ATOM 713 CA ILE A 46 -2.687 -3.171 -0.005 1.00 0.00 C ATOM 714 C ILE A 46 -1.745 -2.060 -0.470 1.00 0.00 C ATOM 715 O ILE A 46 -1.567 -1.057 0.220 1.00 0.00 O ATOM 716 CB ILE A 46 -1.924 -4.180 0.890 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.217 -3.907 2.366 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.422 -4.130 0.629 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.355 -5.165 3.194 1.00 0.00 C ATOM 0 H ILE A 46 -3.119 -4.842 -1.192 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.481 -2.712 0.584 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.273 -5.181 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.416 -3.294 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.136 -3.326 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.083 -4.850 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.226 -4.376 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.049 -3.128 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.562 -4.898 4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.174 -5.769 2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.428 -5.736 3.145 1.00 0.00 H new ATOM 731 N GLY A 47 -1.148 -2.243 -1.645 1.00 0.00 N ATOM 732 CA GLY A 47 -0.230 -1.248 -2.173 1.00 0.00 C ATOM 733 C GLY A 47 -0.888 0.096 -2.403 1.00 0.00 C ATOM 734 O GLY A 47 -0.232 1.135 -2.329 1.00 0.00 O ATOM 0 H GLY A 47 -1.283 -3.061 -2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.603 -1.126 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.187 -1.608 -3.113 1.00 0.00 H new ATOM 738 N ASN A 48 -2.185 0.078 -2.686 1.00 0.00 N ATOM 739 CA ASN A 48 -2.927 1.309 -2.924 1.00 0.00 C ATOM 740 C ASN A 48 -2.863 2.213 -1.699 1.00 0.00 C ATOM 741 O ASN A 48 -2.984 3.434 -1.808 1.00 0.00 O ATOM 742 CB ASN A 48 -4.384 0.996 -3.258 1.00 0.00 C ATOM 743 CG ASN A 48 -4.521 -0.117 -4.281 1.00 0.00 C ATOM 744 OD1 ASN A 48 -5.491 -0.874 -4.264 1.00 0.00 O ATOM 745 ND2 ASN A 48 -3.548 -0.224 -5.180 1.00 0.00 N ATOM 0 H ASN A 48 -2.743 -0.773 -2.756 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.472 1.825 -3.770 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.910 0.713 -2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.867 1.896 -3.638 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.588 -0.954 -5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.761 0.424 -5.159 1.00 0.00 H new ATOM 752 N PHE A 49 -2.676 1.602 -0.533 1.00 0.00 N ATOM 753 CA PHE A 49 -2.592 2.344 0.716 1.00 0.00 C ATOM 754 C PHE A 49 -1.137 2.628 1.071 1.00 0.00 C ATOM 755 O PHE A 49 -0.373 1.716 1.390 1.00 0.00 O ATOM 756 CB PHE A 49 -3.263 1.562 1.847 1.00 0.00 C ATOM 757 CG PHE A 49 -4.691 1.193 1.557 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.988 0.110 0.745 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.736 1.926 2.098 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.298 -0.235 0.476 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.049 1.587 1.832 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.331 0.505 1.020 1.00 0.00 C ATOM 0 H PHE A 49 -2.580 0.592 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.113 3.293 0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.693 0.653 2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.228 2.157 2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.185 -0.472 0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.521 2.772 2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.515 -1.082 -0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.854 2.167 2.258 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.356 0.238 0.811 1.00 0.00 H new ATOM 772 N GLN A 50 -0.763 3.899 1.009 1.00 0.00 N ATOM 773 CA GLN A 50 0.598 4.320 1.325 1.00 0.00 C ATOM 774 C GLN A 50 0.788 4.418 2.830 1.00 0.00 C ATOM 775 O GLN A 50 1.491 5.297 3.329 1.00 0.00 O ATOM 776 CB GLN A 50 0.902 5.662 0.664 1.00 0.00 C ATOM 777 CG GLN A 50 0.712 5.633 -0.838 1.00 0.00 C ATOM 778 CD GLN A 50 -0.722 5.900 -1.254 1.00 0.00 C ATOM 779 OE1 GLN A 50 -1.459 6.608 -0.566 1.00 0.00 O ATOM 780 NE2 GLN A 50 -1.124 5.333 -2.384 1.00 0.00 N ATOM 0 H GLN A 50 -1.386 4.661 0.741 1.00 0.00 H new ATOM 0 HA GLN A 50 1.291 3.574 0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.255 6.428 1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.929 5.949 0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.363 6.377 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.021 4.660 -1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.479 4.754 -2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.078 5.476 -2.715 1.00 0.00 H new ATOM 789 N ASP A 51 0.157 3.499 3.539 1.00 0.00 N ATOM 790 CA ASP A 51 0.231 3.458 4.991 1.00 0.00 C ATOM 791 C ASP A 51 1.195 2.368 5.454 1.00 0.00 C ATOM 792 O ASP A 51 1.471 1.421 4.718 1.00 0.00 O ATOM 793 CB ASP A 51 -1.161 3.217 5.568 1.00 0.00 C ATOM 794 CG ASP A 51 -2.146 4.302 5.177 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.125 5.379 5.807 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.939 4.073 4.239 1.00 0.00 O ATOM 0 H ASP A 51 -0.418 2.763 3.129 1.00 0.00 H new ATOM 0 HA ASP A 51 0.608 4.416 5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.532 2.252 5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.096 3.164 6.655 1.00 0.00 H new ATOM 801 N GLU A 52 1.697 2.504 6.679 1.00 0.00 N ATOM 802 CA GLU A 52 2.644 1.540 7.236 1.00 0.00 C ATOM 803 C GLU A 52 2.026 0.150 7.369 1.00 0.00 C ATOM 804 O GLU A 52 2.716 -0.858 7.218 1.00 0.00 O ATOM 805 CB GLU A 52 3.145 2.015 8.601 1.00 0.00 C ATOM 806 CG GLU A 52 2.055 2.092 9.657 1.00 0.00 C ATOM 807 CD GLU A 52 2.591 2.479 11.021 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.709 3.693 11.290 1.00 0.00 O ATOM 809 OE2 GLU A 52 2.894 1.569 11.819 1.00 0.00 O ATOM 0 H GLU A 52 1.464 3.274 7.306 1.00 0.00 H new ATOM 0 HA GLU A 52 3.483 1.471 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.927 1.339 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.601 2.999 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.304 2.818 9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.554 1.126 9.728 1.00 0.00 H new ATOM 816 N ARG A 53 0.729 0.096 7.659 1.00 0.00 N ATOM 817 CA ARG A 53 0.037 -1.180 7.809 1.00 0.00 C ATOM 818 C ARG A 53 -0.003 -1.927 6.480 1.00 0.00 C ATOM 819 O ARG A 53 -0.312 -3.118 6.432 1.00 0.00 O ATOM 820 CB ARG A 53 -1.382 -0.962 8.340 1.00 0.00 C ATOM 821 CG ARG A 53 -2.147 -2.250 8.602 1.00 0.00 C ATOM 822 CD ARG A 53 -3.337 -2.015 9.519 1.00 0.00 C ATOM 823 NE ARG A 53 -2.929 -1.477 10.815 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.631 -1.628 11.934 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.774 -2.303 11.920 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.191 -1.106 13.069 1.00 0.00 N ATOM 0 H ARG A 53 0.139 0.917 7.794 1.00 0.00 H new ATOM 0 HA ARG A 53 0.587 -1.785 8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.329 -0.388 9.265 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.939 -0.360 7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.492 -2.668 7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.480 -2.986 9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.032 -1.324 9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.872 -2.953 9.668 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.054 -0.955 10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.116 -2.708 11.049 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.310 -2.417 12.781 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.313 -0.588 13.085 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.730 -1.222 13.927 1.00 0.00 H new ATOM 840 N ALA A 54 0.318 -1.216 5.404 1.00 0.00 N ATOM 841 CA ALA A 54 0.322 -1.803 4.072 1.00 0.00 C ATOM 842 C ALA A 54 1.749 -2.043 3.604 1.00 0.00 C ATOM 843 O ALA A 54 1.978 -2.586 2.524 1.00 0.00 O ATOM 844 CB ALA A 54 -0.420 -0.905 3.095 1.00 0.00 C ATOM 0 H ALA A 54 0.579 -0.230 5.430 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.192 -2.763 4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.408 -1.358 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.451 -0.782 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.067 0.069 3.055 1.00 0.00 H new ATOM 850 N VAL A 55 2.703 -1.631 4.433 1.00 0.00 N ATOM 851 CA VAL A 55 4.117 -1.788 4.126 1.00 0.00 C ATOM 852 C VAL A 55 4.660 -3.109 4.672 1.00 0.00 C ATOM 853 O VAL A 55 5.534 -3.729 4.068 1.00 0.00 O ATOM 854 CB VAL A 55 4.942 -0.622 4.707 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.426 -0.843 4.478 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.501 0.700 4.101 1.00 0.00 C ATOM 0 H VAL A 55 2.518 -1.182 5.330 1.00 0.00 H new ATOM 0 HA VAL A 55 4.211 -1.788 3.040 1.00 0.00 H new ATOM 0 HB VAL A 55 4.765 -0.585 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.987 -0.007 4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.735 -1.768 4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.623 -0.913 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.095 1.510 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.644 0.671 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.447 0.869 4.323 1.00 0.00 H new ATOM 866 N GLU A 56 4.137 -3.531 5.819 1.00 0.00 N ATOM 867 CA GLU A 56 4.571 -4.777 6.449 1.00 0.00 C ATOM 868 C GLU A 56 4.327 -5.994 5.548 1.00 0.00 C ATOM 869 O GLU A 56 5.196 -6.856 5.430 1.00 0.00 O ATOM 870 CB GLU A 56 3.859 -4.980 7.788 1.00 0.00 C ATOM 871 CG GLU A 56 4.421 -6.139 8.595 1.00 0.00 C ATOM 872 CD GLU A 56 3.474 -6.605 9.683 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.580 -7.425 9.382 1.00 0.00 O ATOM 874 OE2 GLU A 56 3.625 -6.151 10.837 1.00 0.00 O ATOM 0 H GLU A 56 3.412 -3.030 6.332 1.00 0.00 H new ATOM 0 HA GLU A 56 5.645 -4.691 6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.936 -4.065 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.798 -5.153 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.638 -6.972 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.367 -5.838 9.046 1.00 0.00 H new ATOM 881 N PRO A 57 3.138 -6.098 4.912 1.00 0.00 N ATOM 882 CA PRO A 57 2.809 -7.231 4.037 1.00 0.00 C ATOM 883 C PRO A 57 3.928 -7.598 3.067 1.00 0.00 C ATOM 884 O PRO A 57 4.352 -8.749 3.013 1.00 0.00 O ATOM 885 CB PRO A 57 1.589 -6.725 3.270 1.00 0.00 C ATOM 886 CG PRO A 57 0.917 -5.794 4.215 1.00 0.00 C ATOM 887 CD PRO A 57 2.018 -5.137 5.003 1.00 0.00 C ATOM 0 HA PRO A 57 2.641 -8.143 4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.880 -6.216 2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.931 -7.546 2.985 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.326 -5.052 3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.234 -6.331 4.873 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.287 -4.168 4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.722 -4.965 6.038 1.00 0.00 H new ATOM 895 N LEU A 58 4.410 -6.617 2.313 1.00 0.00 N ATOM 896 CA LEU A 58 5.461 -6.853 1.335 1.00 0.00 C ATOM 897 C LEU A 58 6.683 -7.521 1.960 1.00 0.00 C ATOM 898 O LEU A 58 7.388 -8.278 1.295 1.00 0.00 O ATOM 899 CB LEU A 58 5.867 -5.535 0.674 1.00 0.00 C ATOM 900 CG LEU A 58 4.713 -4.622 0.222 1.00 0.00 C ATOM 901 CD1 LEU A 58 3.427 -5.400 -0.039 1.00 0.00 C ATOM 902 CD2 LEU A 58 4.477 -3.518 1.238 1.00 0.00 C ATOM 0 H LEU A 58 4.088 -5.650 2.361 1.00 0.00 H new ATOM 0 HA LEU A 58 5.063 -7.533 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.492 -4.979 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.485 -5.763 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 58 5.011 -4.172 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.643 -4.712 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.600 -6.137 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.117 -5.908 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.658 -2.883 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.222 -3.959 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.382 -2.919 1.341 1.00 0.00 H new ATOM 914 N ILE A 59 6.927 -7.246 3.235 1.00 0.00 N ATOM 915 CA ILE A 59 8.073 -7.820 3.934 1.00 0.00 C ATOM 916 C ILE A 59 8.078 -9.347 3.847 1.00 0.00 C ATOM 917 O ILE A 59 9.027 -9.945 3.341 1.00 0.00 O ATOM 918 CB ILE A 59 8.104 -7.396 5.416 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.057 -5.867 5.537 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.342 -7.953 6.105 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.238 -5.163 4.900 1.00 0.00 C ATOM 0 H ILE A 59 6.349 -6.630 3.807 1.00 0.00 H new ATOM 0 HA ILE A 59 8.963 -7.434 3.437 1.00 0.00 H new ATOM 0 HB ILE A 59 7.224 -7.806 5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.139 -5.504 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.012 -5.597 6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.347 -7.644 7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.331 -9.041 6.049 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.236 -7.573 5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.131 -4.086 5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.160 -5.495 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.273 -5.401 3.837 1.00 0.00 H new ATOM 933 N LYS A 60 7.014 -9.969 4.344 1.00 0.00 N ATOM 934 CA LYS A 60 6.900 -11.426 4.332 1.00 0.00 C ATOM 935 C LYS A 60 6.697 -11.968 2.917 1.00 0.00 C ATOM 936 O LYS A 60 7.218 -13.027 2.569 1.00 0.00 O ATOM 937 CB LYS A 60 5.737 -11.870 5.221 1.00 0.00 C ATOM 938 CG LYS A 60 5.529 -13.377 5.244 1.00 0.00 C ATOM 939 CD LYS A 60 4.206 -13.752 5.894 1.00 0.00 C ATOM 940 CE LYS A 60 4.181 -13.381 7.369 1.00 0.00 C ATOM 941 NZ LYS A 60 5.301 -14.011 8.121 1.00 0.00 N ATOM 0 H LYS A 60 6.217 -9.488 4.761 1.00 0.00 H new ATOM 0 HA LYS A 60 7.836 -11.830 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.914 -11.520 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.822 -11.391 4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.557 -13.764 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.348 -13.849 5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.390 -13.247 5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.037 -14.823 5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.240 -12.297 7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.231 -13.691 7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.096 -13.979 9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.408 -15.001 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.182 -13.494 7.929 1.00 0.00 H new ATOM 955 N LEU A 61 5.935 -11.234 2.114 1.00 0.00 N ATOM 956 CA LEU A 61 5.631 -11.635 0.740 1.00 0.00 C ATOM 957 C LEU A 61 6.888 -11.958 -0.066 1.00 0.00 C ATOM 958 O LEU A 61 7.004 -13.044 -0.632 1.00 0.00 O ATOM 959 CB LEU A 61 4.841 -10.527 0.045 1.00 0.00 C ATOM 960 CG LEU A 61 3.332 -10.505 0.321 1.00 0.00 C ATOM 961 CD1 LEU A 61 3.001 -11.080 1.696 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.805 -9.085 0.204 1.00 0.00 C ATOM 0 H LEU A 61 5.511 -10.349 2.392 1.00 0.00 H new ATOM 0 HA LEU A 61 5.036 -12.547 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.260 -9.566 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.993 -10.619 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 61 2.846 -11.135 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.923 -11.047 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.344 -12.113 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.499 -10.491 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.733 -9.077 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.312 -8.448 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.991 -8.709 -0.802 1.00 0.00 H new ATOM 974 N LEU A 62 7.813 -11.007 -0.128 1.00 0.00 N ATOM 975 CA LEU A 62 9.058 -11.185 -0.870 1.00 0.00 C ATOM 976 C LEU A 62 9.772 -12.479 -0.471 1.00 0.00 C ATOM 977 O LEU A 62 10.690 -12.927 -1.157 1.00 0.00 O ATOM 978 CB LEU A 62 9.974 -9.983 -0.638 1.00 0.00 C ATOM 979 CG LEU A 62 9.343 -8.625 -0.957 1.00 0.00 C ATOM 980 CD1 LEU A 62 10.004 -7.523 -0.145 1.00 0.00 C ATOM 981 CD2 LEU A 62 9.442 -8.325 -2.445 1.00 0.00 C ATOM 0 H LEU A 62 7.724 -10.099 0.329 1.00 0.00 H new ATOM 0 HA LEU A 62 8.813 -11.257 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.294 -9.984 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.870 -10.104 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 62 8.288 -8.666 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.541 -6.566 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.879 -7.729 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.067 -7.483 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.988 -7.356 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.490 -8.306 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.919 -9.098 -3.008 1.00 0.00 H new ATOM 993 N GLU A 63 9.345 -13.076 0.640 1.00 0.00 N ATOM 994 CA GLU A 63 9.944 -14.316 1.121 1.00 0.00 C ATOM 995 C GLU A 63 8.951 -15.475 1.033 1.00 0.00 C ATOM 996 O GLU A 63 9.343 -16.642 1.058 1.00 0.00 O ATOM 997 CB GLU A 63 10.419 -14.144 2.566 1.00 0.00 C ATOM 998 CG GLU A 63 11.902 -14.423 2.761 1.00 0.00 C ATOM 999 CD GLU A 63 12.264 -15.873 2.507 1.00 0.00 C ATOM 1000 OE1 GLU A 63 12.465 -16.238 1.328 1.00 0.00 O ATOM 1001 OE2 GLU A 63 12.346 -16.644 3.485 1.00 0.00 O ATOM 0 H GLU A 63 8.587 -12.720 1.223 1.00 0.00 H new ATOM 0 HA GLU A 63 10.799 -14.549 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.204 -13.126 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.845 -14.811 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.478 -13.786 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.187 -14.155 3.778 1.00 0.00 H new ATOM 1008 N ASP A 64 7.666 -15.144 0.938 1.00 0.00 N ATOM 1009 CA ASP A 64 6.615 -16.157 0.852 1.00 0.00 C ATOM 1010 C ASP A 64 6.781 -17.026 -0.385 1.00 0.00 C ATOM 1011 O ASP A 64 6.485 -18.221 -0.365 1.00 0.00 O ATOM 1012 CB ASP A 64 5.235 -15.498 0.848 1.00 0.00 C ATOM 1013 CG ASP A 64 4.133 -16.471 1.224 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.032 -17.532 0.572 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.374 -16.172 2.169 1.00 0.00 O ATOM 0 H ASP A 64 7.326 -14.182 0.919 1.00 0.00 H new ATOM 0 HA ASP A 64 6.701 -16.797 1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.232 -14.661 1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.033 -15.088 -0.142 1.00 0.00 H new ATOM 1020 N ASP A 65 7.258 -16.412 -1.452 1.00 0.00 N ATOM 1021 CA ASP A 65 7.469 -17.107 -2.719 1.00 0.00 C ATOM 1022 C ASP A 65 6.191 -17.796 -3.194 1.00 0.00 C ATOM 1023 O ASP A 65 6.247 -18.816 -3.882 1.00 0.00 O ATOM 1024 CB ASP A 65 8.597 -18.133 -2.584 1.00 0.00 C ATOM 1025 CG ASP A 65 9.955 -17.481 -2.407 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.564 -17.093 -3.425 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.410 -17.359 -1.251 1.00 0.00 O ATOM 0 H ASP A 65 7.510 -15.424 -1.471 1.00 0.00 H new ATOM 0 HA ASP A 65 7.751 -16.362 -3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.395 -18.781 -1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.615 -18.768 -3.470 1.00 0.00 H new ATOM 1032 N SER A 66 5.041 -17.231 -2.834 1.00 0.00 N ATOM 1033 CA SER A 66 3.755 -17.802 -3.230 1.00 0.00 C ATOM 1034 C SER A 66 3.361 -17.363 -4.638 1.00 0.00 C ATOM 1035 O SER A 66 2.302 -17.742 -5.140 1.00 0.00 O ATOM 1036 CB SER A 66 2.665 -17.391 -2.241 1.00 0.00 C ATOM 1037 OG SER A 66 1.416 -17.962 -2.588 1.00 0.00 O ATOM 0 H SER A 66 4.972 -16.383 -2.272 1.00 0.00 H new ATOM 0 HA SER A 66 3.860 -18.887 -3.225 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.945 -17.706 -1.236 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.578 -16.305 -2.222 1.00 0.00 H new ATOM 0 HG SER A 66 1.350 -18.036 -3.563 1.00 0.00 H new ATOM 1043 N GLY A 67 4.214 -16.564 -5.272 1.00 0.00 N ATOM 1044 CA GLY A 67 3.924 -16.087 -6.613 1.00 0.00 C ATOM 1045 C GLY A 67 2.934 -14.940 -6.611 1.00 0.00 C ATOM 1046 O GLY A 67 3.316 -13.782 -6.758 1.00 0.00 O ATOM 0 H GLY A 67 5.099 -16.239 -4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.850 -15.765 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.526 -16.907 -7.210 1.00 0.00 H new ATOM 1050 N PHE A 68 1.655 -15.262 -6.447 1.00 0.00 N ATOM 1051 CA PHE A 68 0.606 -14.248 -6.412 1.00 0.00 C ATOM 1052 C PHE A 68 0.834 -13.309 -5.233 1.00 0.00 C ATOM 1053 O PHE A 68 0.747 -12.088 -5.365 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.764 -14.930 -6.291 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.968 -14.040 -6.529 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.846 -12.677 -6.797 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.240 -14.592 -6.487 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.969 -11.900 -7.015 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.361 -13.815 -6.702 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.225 -12.469 -6.967 1.00 0.00 C ATOM 0 H PHE A 68 1.319 -16.219 -6.336 1.00 0.00 H new ATOM 0 HA PHE A 68 0.633 -13.666 -7.333 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.801 -15.757 -7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.847 -15.362 -5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.866 -12.224 -6.835 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.355 -15.646 -6.283 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.863 -10.846 -7.223 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.344 -14.261 -6.663 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.101 -11.860 -7.137 1.00 0.00 H new ATOM 1070 N VAL A 69 1.138 -13.895 -4.081 1.00 0.00 N ATOM 1071 CA VAL A 69 1.380 -13.128 -2.867 1.00 0.00 C ATOM 1072 C VAL A 69 2.732 -12.418 -2.913 1.00 0.00 C ATOM 1073 O VAL A 69 2.828 -11.231 -2.603 1.00 0.00 O ATOM 1074 CB VAL A 69 1.317 -14.032 -1.620 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.266 -13.201 -0.351 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.123 -14.971 -1.699 1.00 0.00 C ATOM 0 H VAL A 69 1.223 -14.905 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 69 0.594 -12.376 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 69 2.225 -14.635 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.222 -13.862 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.159 -12.579 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.381 -12.565 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.096 -15.601 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.796 -14.387 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.212 -15.599 -2.586 1.00 0.00 H new ATOM 1086 N ARG A 70 3.775 -13.146 -3.311 1.00 0.00 N ATOM 1087 CA ARG A 70 5.123 -12.582 -3.383 1.00 0.00 C ATOM 1088 C ARG A 70 5.211 -11.451 -4.406 1.00 0.00 C ATOM 1089 O ARG A 70 5.562 -10.321 -4.064 1.00 0.00 O ATOM 1090 CB ARG A 70 6.143 -13.666 -3.736 1.00 0.00 C ATOM 1091 CG ARG A 70 7.583 -13.172 -3.697 1.00 0.00 C ATOM 1092 CD ARG A 70 8.508 -14.068 -4.505 1.00 0.00 C ATOM 1093 NE ARG A 70 8.028 -14.269 -5.870 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.825 -14.543 -6.899 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.137 -14.623 -6.723 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.309 -14.732 -8.107 1.00 0.00 N ATOM 0 H ARG A 70 3.713 -14.126 -3.588 1.00 0.00 H new ATOM 0 HA ARG A 70 5.351 -12.173 -2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.033 -14.499 -3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.925 -14.050 -4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.629 -12.155 -4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.926 -13.133 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.505 -13.627 -4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.601 -15.034 -4.008 1.00 0.00 H new ATOM 0 HE ARG A 70 7.026 -14.195 -6.044 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.537 -14.474 -5.797 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.746 -14.833 -7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.301 -14.667 -8.247 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.921 -14.942 -8.896 1.00 0.00 H new ATOM 1110 N SER A 71 4.898 -11.765 -5.662 1.00 0.00 N ATOM 1111 CA SER A 71 4.954 -10.781 -6.740 1.00 0.00 C ATOM 1112 C SER A 71 4.194 -9.519 -6.365 1.00 0.00 C ATOM 1113 O SER A 71 4.559 -8.418 -6.776 1.00 0.00 O ATOM 1114 CB SER A 71 4.377 -11.364 -8.028 1.00 0.00 C ATOM 1115 OG SER A 71 4.640 -10.520 -9.134 1.00 0.00 O ATOM 0 H SER A 71 4.602 -12.695 -5.958 1.00 0.00 H new ATOM 0 HA SER A 71 6.001 -10.524 -6.901 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.806 -12.349 -8.209 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.301 -11.500 -7.919 1.00 0.00 H new ATOM 0 HG SER A 71 4.261 -10.917 -9.946 1.00 0.00 H new ATOM 1121 N GLY A 72 3.129 -9.686 -5.588 1.00 0.00 N ATOM 1122 CA GLY A 72 2.342 -8.546 -5.164 1.00 0.00 C ATOM 1123 C GLY A 72 3.195 -7.493 -4.490 1.00 0.00 C ATOM 1124 O GLY A 72 3.102 -6.310 -4.806 1.00 0.00 O ATOM 0 H GLY A 72 2.799 -10.588 -5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.840 -8.109 -6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.563 -8.877 -4.477 1.00 0.00 H new ATOM 1128 N ALA A 73 4.035 -7.925 -3.562 1.00 0.00 N ATOM 1129 CA ALA A 73 4.910 -7.010 -2.844 1.00 0.00 C ATOM 1130 C ALA A 73 5.690 -6.113 -3.801 1.00 0.00 C ATOM 1131 O ALA A 73 5.977 -4.961 -3.486 1.00 0.00 O ATOM 1132 CB ALA A 73 5.869 -7.786 -1.955 1.00 0.00 C ATOM 0 H ALA A 73 4.130 -8.903 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 73 4.283 -6.371 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.517 -7.089 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.301 -8.375 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.476 -8.451 -2.569 1.00 0.00 H new ATOM 1138 N ALA A 74 6.015 -6.642 -4.976 1.00 0.00 N ATOM 1139 CA ALA A 74 6.774 -5.889 -5.967 1.00 0.00 C ATOM 1140 C ALA A 74 6.022 -4.644 -6.426 1.00 0.00 C ATOM 1141 O ALA A 74 6.500 -3.522 -6.254 1.00 0.00 O ATOM 1142 CB ALA A 74 7.108 -6.772 -7.159 1.00 0.00 C ATOM 0 H ALA A 74 5.765 -7.588 -5.265 1.00 0.00 H new ATOM 0 HA ALA A 74 7.700 -5.561 -5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.675 -6.196 -7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.703 -7.622 -6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.186 -7.131 -7.616 1.00 0.00 H new ATOM 1148 N ARG A 75 4.846 -4.847 -7.012 1.00 0.00 N ATOM 1149 CA ARG A 75 4.038 -3.736 -7.506 1.00 0.00 C ATOM 1150 C ARG A 75 3.634 -2.788 -6.381 1.00 0.00 C ATOM 1151 O ARG A 75 3.429 -1.599 -6.615 1.00 0.00 O ATOM 1152 CB ARG A 75 2.789 -4.252 -8.231 1.00 0.00 C ATOM 1153 CG ARG A 75 2.177 -5.490 -7.598 1.00 0.00 C ATOM 1154 CD ARG A 75 0.701 -5.298 -7.287 1.00 0.00 C ATOM 1155 NE ARG A 75 0.481 -4.337 -6.206 1.00 0.00 N ATOM 1156 CZ ARG A 75 0.460 -4.668 -4.917 1.00 0.00 C ATOM 1157 NH1 ARG A 75 0.679 -5.922 -4.548 1.00 0.00 N ATOM 1158 NH2 ARG A 75 0.221 -3.748 -3.993 1.00 0.00 N ATOM 0 H ARG A 75 4.432 -5.768 -7.156 1.00 0.00 H new ATOM 0 HA ARG A 75 4.654 -3.179 -8.212 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.041 -3.460 -8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.048 -4.475 -9.266 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.299 -6.339 -8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.713 -5.731 -6.680 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.185 -4.957 -8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.262 -6.257 -7.012 1.00 0.00 H new ATOM 0 HE ARG A 75 0.336 -3.358 -6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.864 -6.636 -5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.662 -6.173 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.052 -2.781 -4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.206 -4.008 -3.007 1.00 0.00 H new ATOM 1172 N SER A 76 3.528 -3.313 -5.164 1.00 0.00 N ATOM 1173 CA SER A 76 3.141 -2.502 -4.013 1.00 0.00 C ATOM 1174 C SER A 76 4.154 -1.393 -3.744 1.00 0.00 C ATOM 1175 O SER A 76 3.790 -0.222 -3.632 1.00 0.00 O ATOM 1176 CB SER A 76 2.990 -3.379 -2.770 1.00 0.00 C ATOM 1177 OG SER A 76 2.578 -2.611 -1.652 1.00 0.00 O ATOM 0 H SER A 76 3.704 -4.294 -4.949 1.00 0.00 H new ATOM 0 HA SER A 76 2.183 -2.038 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.261 -4.167 -2.963 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.938 -3.869 -2.549 1.00 0.00 H new ATOM 0 HG SER A 76 3.367 -2.278 -1.175 1.00 0.00 H new ATOM 1183 N LEU A 77 5.425 -1.768 -3.630 1.00 0.00 N ATOM 1184 CA LEU A 77 6.488 -0.802 -3.369 1.00 0.00 C ATOM 1185 C LEU A 77 6.507 0.308 -4.412 1.00 0.00 C ATOM 1186 O LEU A 77 6.342 1.483 -4.083 1.00 0.00 O ATOM 1187 CB LEU A 77 7.842 -1.504 -3.349 1.00 0.00 C ATOM 1188 CG LEU A 77 8.267 -2.060 -1.993 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.448 -3.286 -1.628 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.748 -2.388 -2.010 1.00 0.00 C ATOM 0 H LEU A 77 5.744 -2.733 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 77 6.291 -0.352 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.819 -2.323 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.602 -0.801 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 77 8.084 -1.300 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.770 -3.663 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.393 -3.018 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.593 -4.058 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.044 -2.784 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.947 -3.132 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.319 -1.484 -2.222 1.00 0.00 H new ATOM 1202 N GLU A 78 6.713 -0.069 -5.670 1.00 0.00 N ATOM 1203 CA GLU A 78 6.746 0.897 -6.762 1.00 0.00 C ATOM 1204 C GLU A 78 5.462 1.719 -6.789 1.00 0.00 C ATOM 1205 O GLU A 78 5.439 2.842 -7.294 1.00 0.00 O ATOM 1206 CB GLU A 78 6.941 0.179 -8.100 1.00 0.00 C ATOM 1207 CG GLU A 78 8.187 -0.692 -8.143 1.00 0.00 C ATOM 1208 CD GLU A 78 8.337 -1.435 -9.456 1.00 0.00 C ATOM 1209 OE1 GLU A 78 7.698 -2.495 -9.614 1.00 0.00 O ATOM 1210 OE2 GLU A 78 9.094 -0.956 -10.326 1.00 0.00 O ATOM 0 H GLU A 78 6.860 -1.036 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 78 7.586 1.572 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.067 -0.440 -8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.998 0.921 -8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.066 -0.069 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.151 -1.412 -7.325 1.00 0.00 H new ATOM 1217 N GLN A 79 4.395 1.147 -6.241 1.00 0.00 N ATOM 1218 CA GLN A 79 3.100 1.821 -6.193 1.00 0.00 C ATOM 1219 C GLN A 79 3.120 2.981 -5.202 1.00 0.00 C ATOM 1220 O GLN A 79 2.687 4.088 -5.520 1.00 0.00 O ATOM 1221 CB GLN A 79 1.999 0.830 -5.811 1.00 0.00 C ATOM 1222 CG GLN A 79 1.115 0.425 -6.979 1.00 0.00 C ATOM 1223 CD GLN A 79 0.499 -0.951 -6.799 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.265 -1.340 -5.552 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 0.235 -1.655 -7.775 1.00 0.00 N flip ATOM 0 H GLN A 79 4.400 0.217 -5.823 1.00 0.00 H new ATOM 0 HA GLN A 79 2.894 2.221 -7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.457 -0.063 -5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.378 1.272 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.320 1.161 -7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.704 0.438 -7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.432 -1.316 -8.717 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.180 -2.577 -7.641 1.00 0.00 H new ATOM 1234 N ILE A 80 3.625 2.717 -4.000 1.00 0.00 N ATOM 1235 CA ILE A 80 3.692 3.735 -2.958 1.00 0.00 C ATOM 1236 C ILE A 80 4.759 4.779 -3.268 1.00 0.00 C ATOM 1237 O ILE A 80 4.457 5.962 -3.419 1.00 0.00 O ATOM 1238 CB ILE A 80 3.986 3.102 -1.583 1.00 0.00 C ATOM 1239 CG1 ILE A 80 2.887 2.099 -1.220 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.105 4.181 -0.514 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.155 1.333 0.060 1.00 0.00 C ATOM 0 H ILE A 80 3.994 1.807 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 80 2.718 4.224 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 80 4.936 2.571 -1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.941 2.631 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.771 1.389 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.313 3.717 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.917 4.861 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.170 4.739 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.333 0.643 0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.084 0.772 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.241 2.033 0.891 1.00 0.00 H new ATOM 1253 N GLY A 81 6.007 4.330 -3.371 1.00 0.00 N ATOM 1254 CA GLY A 81 7.102 5.235 -3.662 1.00 0.00 C ATOM 1255 C GLY A 81 7.380 6.203 -2.527 1.00 0.00 C ATOM 1256 O GLY A 81 6.504 6.970 -2.129 1.00 0.00 O ATOM 0 H GLY A 81 6.278 3.353 -3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.002 4.655 -3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.872 5.798 -4.566 1.00 0.00 H new ATOM 1260 N GLY A 82 8.605 6.169 -2.009 1.00 0.00 N ATOM 1261 CA GLY A 82 8.973 7.055 -0.921 1.00 0.00 C ATOM 1262 C GLY A 82 9.957 6.422 0.044 1.00 0.00 C ATOM 1263 O GLY A 82 10.357 5.271 -0.131 1.00 0.00 O ATOM 0 H GLY A 82 9.347 5.544 -2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.408 7.966 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.075 7.348 -0.377 1.00 0.00 H new ATOM 1267 N GLU A 83 10.344 7.180 1.065 1.00 0.00 N ATOM 1268 CA GLU A 83 11.287 6.698 2.068 1.00 0.00 C ATOM 1269 C GLU A 83 10.675 5.556 2.876 1.00 0.00 C ATOM 1270 O GLU A 83 11.378 4.648 3.321 1.00 0.00 O ATOM 1271 CB GLU A 83 11.689 7.846 2.999 1.00 0.00 C ATOM 1272 CG GLU A 83 12.998 7.617 3.738 1.00 0.00 C ATOM 1273 CD GLU A 83 12.890 6.553 4.812 1.00 0.00 C ATOM 1274 OE1 GLU A 83 12.159 6.778 5.799 1.00 0.00 O ATOM 1275 OE2 GLU A 83 13.541 5.496 4.668 1.00 0.00 O ATOM 0 H GLU A 83 10.018 8.134 1.220 1.00 0.00 H new ATOM 0 HA GLU A 83 12.175 6.322 1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.770 8.762 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.895 8.003 3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.768 7.327 3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.322 8.553 4.192 1.00 0.00 H new ATOM 1282 N ARG A 84 9.360 5.608 3.053 1.00 0.00 N ATOM 1283 CA ARG A 84 8.643 4.587 3.809 1.00 0.00 C ATOM 1284 C ARG A 84 8.789 3.215 3.154 1.00 0.00 C ATOM 1285 O ARG A 84 9.170 2.245 3.811 1.00 0.00 O ATOM 1286 CB ARG A 84 7.160 4.962 3.957 1.00 0.00 C ATOM 1287 CG ARG A 84 6.366 4.965 2.653 1.00 0.00 C ATOM 1288 CD ARG A 84 6.753 6.127 1.749 1.00 0.00 C ATOM 1289 NE ARG A 84 6.645 7.410 2.438 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.502 8.576 1.813 1.00 0.00 C ATOM 1291 NH1 ARG A 84 6.445 8.621 0.489 1.00 0.00 N ATOM 1292 NH2 ARG A 84 6.413 9.698 2.514 1.00 0.00 N ATOM 0 H ARG A 84 8.766 6.350 2.682 1.00 0.00 H new ATOM 0 HA ARG A 84 9.085 4.534 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.691 4.264 4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.094 5.952 4.408 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.532 4.025 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.301 5.020 2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.775 5.989 1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.110 6.132 0.869 1.00 0.00 H new ATOM 0 HE ARG A 84 6.681 7.413 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.511 7.760 -0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.335 9.517 0.013 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.454 9.668 3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.303 10.592 2.035 1.00 0.00 H new ATOM 1306 N VAL A 85 8.484 3.135 1.863 1.00 0.00 N ATOM 1307 CA VAL A 85 8.593 1.876 1.134 1.00 0.00 C ATOM 1308 C VAL A 85 10.054 1.492 0.948 1.00 0.00 C ATOM 1309 O VAL A 85 10.381 0.323 0.748 1.00 0.00 O ATOM 1310 CB VAL A 85 7.898 1.930 -0.245 1.00 0.00 C ATOM 1311 CG1 VAL A 85 6.696 1.000 -0.270 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.482 3.351 -0.597 1.00 0.00 C ATOM 0 H VAL A 85 8.161 3.923 1.302 1.00 0.00 H new ATOM 0 HA VAL A 85 8.085 1.122 1.735 1.00 0.00 H new ATOM 0 HB VAL A 85 8.614 1.596 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.218 1.050 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.023 -0.022 -0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.985 1.304 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.996 3.357 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.788 3.724 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.364 3.991 -0.627 1.00 0.00 H new ATOM 1322 N ARG A 86 10.928 2.492 1.013 1.00 0.00 N ATOM 1323 CA ARG A 86 12.360 2.272 0.864 1.00 0.00 C ATOM 1324 C ARG A 86 12.861 1.297 1.925 1.00 0.00 C ATOM 1325 O ARG A 86 13.902 0.661 1.757 1.00 0.00 O ATOM 1326 CB ARG A 86 13.110 3.601 0.977 1.00 0.00 C ATOM 1327 CG ARG A 86 14.429 3.629 0.222 1.00 0.00 C ATOM 1328 CD ARG A 86 15.185 4.920 0.484 1.00 0.00 C ATOM 1329 NE ARG A 86 16.442 4.986 -0.257 1.00 0.00 N ATOM 1330 CZ ARG A 86 17.213 6.070 -0.300 1.00 0.00 C ATOM 1331 NH1 ARG A 86 16.846 7.175 0.335 1.00 0.00 N ATOM 1332 NH2 ARG A 86 18.350 6.050 -0.983 1.00 0.00 N ATOM 0 H ARG A 86 10.667 3.466 1.169 1.00 0.00 H new ATOM 0 HA ARG A 86 12.546 1.842 -0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.471 4.401 0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.300 3.811 2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.041 2.779 0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.242 3.525 -0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.558 5.768 0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.390 5.009 1.551 1.00 0.00 H new ATOM 0 HE ARG A 86 16.745 4.157 -0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.971 7.196 0.858 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.439 8.004 0.300 1.00 0.00 H new ATOM 0 HH21 ARG A 86 18.634 5.203 -1.476 1.00 0.00 H new ATOM 0 HH22 ARG A 86 18.940 6.881 -1.015 1.00 0.00 H new ATOM 1346 N ALA A 87 12.107 1.185 3.017 1.00 0.00 N ATOM 1347 CA ALA A 87 12.462 0.285 4.105 1.00 0.00 C ATOM 1348 C ALA A 87 12.134 -1.152 3.730 1.00 0.00 C ATOM 1349 O ALA A 87 12.815 -2.087 4.152 1.00 0.00 O ATOM 1350 CB ALA A 87 11.732 0.682 5.380 1.00 0.00 C ATOM 0 H ALA A 87 11.245 1.709 3.169 1.00 0.00 H new ATOM 0 HA ALA A 87 13.535 0.360 4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.008 0.000 6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.009 1.699 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.656 0.631 5.214 1.00 0.00 H new ATOM 1356 N ALA A 88 11.079 -1.319 2.935 1.00 0.00 N ATOM 1357 CA ALA A 88 10.666 -2.641 2.485 1.00 0.00 C ATOM 1358 C ALA A 88 11.812 -3.323 1.756 1.00 0.00 C ATOM 1359 O ALA A 88 12.140 -4.478 2.032 1.00 0.00 O ATOM 1360 CB ALA A 88 9.445 -2.539 1.584 1.00 0.00 C ATOM 0 H ALA A 88 10.497 -0.555 2.591 1.00 0.00 H new ATOM 0 HA ALA A 88 10.398 -3.241 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.150 -3.536 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.624 -2.080 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.685 -1.928 0.714 1.00 0.00 H new ATOM 1366 N MET A 89 12.422 -2.599 0.820 1.00 0.00 N ATOM 1367 CA MET A 89 13.546 -3.131 0.064 1.00 0.00 C ATOM 1368 C MET A 89 14.785 -3.218 0.940 1.00 0.00 C ATOM 1369 O MET A 89 15.692 -3.998 0.665 1.00 0.00 O ATOM 1370 CB MET A 89 13.831 -2.297 -1.189 1.00 0.00 C ATOM 1371 CG MET A 89 13.641 -0.803 -1.022 1.00 0.00 C ATOM 1372 SD MET A 89 15.163 0.142 -1.234 1.00 0.00 S ATOM 1373 CE MET A 89 16.292 -0.721 -0.149 1.00 0.00 C ATOM 0 H MET A 89 12.156 -1.647 0.570 1.00 0.00 H new ATOM 0 HA MET A 89 13.276 -4.135 -0.263 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.857 -2.484 -1.506 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.181 -2.643 -1.993 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.903 -0.455 -1.745 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.234 -0.605 -0.030 1.00 0.00 H new ATOM 0 HE1 MET A 89 17.237 -0.180 -0.102 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.860 -0.784 0.850 1.00 0.00 H new ATOM 0 HE3 MET A 89 16.468 -1.726 -0.532 1.00 0.00 H new ATOM 1383 N GLU A 90 14.832 -2.396 1.983 1.00 0.00 N ATOM 1384 CA GLU A 90 15.961 -2.408 2.902 1.00 0.00 C ATOM 1385 C GLU A 90 15.989 -3.727 3.661 1.00 0.00 C ATOM 1386 O GLU A 90 17.055 -4.261 3.970 1.00 0.00 O ATOM 1387 CB GLU A 90 15.872 -1.240 3.886 1.00 0.00 C ATOM 1388 CG GLU A 90 16.481 0.050 3.360 1.00 0.00 C ATOM 1389 CD GLU A 90 17.979 -0.056 3.153 1.00 0.00 C ATOM 1390 OE1 GLU A 90 18.724 0.033 4.151 1.00 0.00 O ATOM 1391 OE2 GLU A 90 18.407 -0.230 1.992 1.00 0.00 O ATOM 0 H GLU A 90 14.105 -1.717 2.211 1.00 0.00 H new ATOM 0 HA GLU A 90 16.880 -2.301 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 90 14.825 -1.063 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.375 -1.518 4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.005 0.314 2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.271 0.859 4.060 1.00 0.00 H new ATOM 1398 N LYS A 91 14.801 -4.243 3.954 1.00 0.00 N ATOM 1399 CA LYS A 91 14.668 -5.504 4.676 1.00 0.00 C ATOM 1400 C LYS A 91 14.828 -6.709 3.749 1.00 0.00 C ATOM 1401 O LYS A 91 15.270 -7.773 4.183 1.00 0.00 O ATOM 1402 CB LYS A 91 13.310 -5.567 5.380 1.00 0.00 C ATOM 1403 CG LYS A 91 13.039 -6.893 6.074 1.00 0.00 C ATOM 1404 CD LYS A 91 13.998 -7.131 7.228 1.00 0.00 C ATOM 1405 CE LYS A 91 13.815 -8.515 7.825 1.00 0.00 C ATOM 1406 NZ LYS A 91 12.422 -8.733 8.304 1.00 0.00 N ATOM 0 H LYS A 91 13.914 -3.807 3.702 1.00 0.00 H new ATOM 0 HA LYS A 91 15.466 -5.544 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.255 -4.765 6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.523 -5.383 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.014 -6.907 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.129 -7.706 5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.024 -7.016 6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.837 -6.377 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.064 -9.269 7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.509 -8.647 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.378 -9.615 8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.133 -7.936 8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.781 -8.801 7.488 1.00 0.00 H new ATOM 1420 N LEU A 92 14.474 -6.546 2.476 1.00 0.00 N ATOM 1421 CA LEU A 92 14.575 -7.637 1.522 1.00 0.00 C ATOM 1422 C LEU A 92 15.980 -7.709 0.924 1.00 0.00 C ATOM 1423 O LEU A 92 16.486 -8.792 0.646 1.00 0.00 O ATOM 1424 CB LEU A 92 13.509 -7.467 0.436 1.00 0.00 C ATOM 1425 CG LEU A 92 13.930 -7.860 -0.977 1.00 0.00 C ATOM 1426 CD1 LEU A 92 14.110 -9.366 -1.090 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.902 -7.371 -1.984 1.00 0.00 C ATOM 0 H LEU A 92 14.117 -5.673 2.087 1.00 0.00 H new ATOM 0 HA LEU A 92 14.397 -8.581 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.638 -8.060 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.194 -6.424 0.424 1.00 0.00 H new ATOM 0 HG LEU A 92 14.888 -7.388 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.410 -9.621 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.880 -9.694 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.169 -9.864 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 92 13.213 -7.657 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.934 -7.819 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.822 -6.286 -1.924 1.00 0.00 H new ATOM 1439 N ALA A 93 16.600 -6.551 0.730 1.00 0.00 N ATOM 1440 CA ALA A 93 17.953 -6.489 0.183 1.00 0.00 C ATOM 1441 C ALA A 93 18.908 -7.327 1.025 1.00 0.00 C ATOM 1442 O ALA A 93 19.906 -7.845 0.524 1.00 0.00 O ATOM 1443 CB ALA A 93 18.438 -5.050 0.131 1.00 0.00 C ATOM 0 H ALA A 93 16.189 -5.642 0.943 1.00 0.00 H new ATOM 0 HA ALA A 93 17.931 -6.892 -0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.448 -5.021 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.772 -4.464 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.443 -4.631 1.137 1.00 0.00 H new ATOM 1449 N GLU A 94 18.586 -7.453 2.308 1.00 0.00 N ATOM 1450 CA GLU A 94 19.403 -8.225 3.233 1.00 0.00 C ATOM 1451 C GLU A 94 19.106 -9.713 3.089 1.00 0.00 C ATOM 1452 O GLU A 94 19.951 -10.561 3.378 1.00 0.00 O ATOM 1453 CB GLU A 94 19.138 -7.767 4.667 1.00 0.00 C ATOM 1454 CG GLU A 94 20.033 -8.432 5.697 1.00 0.00 C ATOM 1455 CD GLU A 94 21.501 -8.118 5.484 1.00 0.00 C ATOM 1456 OE1 GLU A 94 22.120 -8.744 4.598 1.00 0.00 O ATOM 1457 OE2 GLU A 94 22.032 -7.248 6.205 1.00 0.00 O ATOM 0 H GLU A 94 17.761 -7.028 2.731 1.00 0.00 H new ATOM 0 HA GLU A 94 20.454 -8.060 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.273 -6.687 4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.097 -7.971 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.737 -8.107 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.887 -9.511 5.657 1.00 0.00 H new ATOM 1464 N THR A 95 17.894 -10.018 2.635 1.00 0.00 N ATOM 1465 CA THR A 95 17.472 -11.398 2.429 1.00 0.00 C ATOM 1466 C THR A 95 17.166 -11.624 0.956 1.00 0.00 C ATOM 1467 O THR A 95 16.313 -12.437 0.598 1.00 0.00 O ATOM 1468 CB THR A 95 16.224 -11.741 3.265 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.167 -10.820 2.970 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.539 -11.700 4.752 1.00 0.00 C ATOM 0 H THR A 95 17.184 -9.323 2.402 1.00 0.00 H new ATOM 0 HA THR A 95 18.286 -12.048 2.750 1.00 0.00 H new ATOM 0 HB THR A 95 15.908 -12.751 3.005 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.349 -9.962 3.407 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.642 -11.946 5.321 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.322 -12.424 4.978 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.879 -10.701 5.024 1.00 0.00 H new ATOM 1478 N GLY A 96 17.883 -10.892 0.111 1.00 0.00 N ATOM 1479 CA GLY A 96 17.690 -10.981 -1.319 1.00 0.00 C ATOM 1480 C GLY A 96 17.780 -12.393 -1.854 1.00 0.00 C ATOM 1481 O GLY A 96 18.797 -13.069 -1.690 1.00 0.00 O ATOM 0 H GLY A 96 18.604 -10.230 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.714 -10.567 -1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.437 -10.364 -1.817 1.00 0.00 H new ATOM 1485 N THR A 97 16.705 -12.837 -2.494 1.00 0.00 N ATOM 1486 CA THR A 97 16.652 -14.170 -3.080 1.00 0.00 C ATOM 1487 C THR A 97 15.661 -14.210 -4.239 1.00 0.00 C ATOM 1488 O THR A 97 14.520 -13.767 -4.109 1.00 0.00 O ATOM 1489 CB THR A 97 16.252 -15.234 -2.039 1.00 0.00 C ATOM 1490 OG1 THR A 97 17.102 -15.142 -0.890 1.00 0.00 O ATOM 1491 CG2 THR A 97 16.347 -16.632 -2.631 1.00 0.00 C ATOM 0 H THR A 97 15.854 -12.289 -2.621 1.00 0.00 H new ATOM 0 HA THR A 97 17.654 -14.398 -3.445 1.00 0.00 H new ATOM 0 HB THR A 97 15.219 -15.048 -1.743 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.839 -15.821 -0.234 1.00 0.00 H new ATOM 0 HG21 THR A 97 16.060 -17.366 -1.878 1.00 0.00 H new ATOM 0 HG22 THR A 97 15.678 -16.710 -3.488 1.00 0.00 H new ATOM 0 HG23 THR A 97 17.371 -16.822 -2.952 1.00 0.00 H new ATOM 1499 N GLY A 98 16.106 -14.745 -5.373 1.00 0.00 N ATOM 1500 CA GLY A 98 15.248 -14.836 -6.540 1.00 0.00 C ATOM 1501 C GLY A 98 14.761 -13.482 -7.022 1.00 0.00 C ATOM 1502 O GLY A 98 15.368 -12.451 -6.725 1.00 0.00 O ATOM 0 H GLY A 98 17.047 -15.117 -5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.791 -15.329 -7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.388 -15.463 -6.304 1.00 0.00 H new ATOM 1506 N PHE A 99 13.659 -13.490 -7.768 1.00 0.00 N ATOM 1507 CA PHE A 99 13.073 -12.264 -8.302 1.00 0.00 C ATOM 1508 C PHE A 99 12.784 -11.258 -7.189 1.00 0.00 C ATOM 1509 O PHE A 99 12.880 -10.048 -7.397 1.00 0.00 O ATOM 1510 CB PHE A 99 11.787 -12.596 -9.068 1.00 0.00 C ATOM 1511 CG PHE A 99 10.915 -11.405 -9.357 1.00 0.00 C ATOM 1512 CD1 PHE A 99 11.195 -10.565 -10.422 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.811 -11.132 -8.564 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.391 -9.473 -10.690 1.00 0.00 C ATOM 1515 CE2 PHE A 99 9.004 -10.042 -8.826 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.295 -9.211 -9.891 1.00 0.00 C ATOM 0 H PHE A 99 13.151 -14.339 -8.018 1.00 0.00 H new ATOM 0 HA PHE A 99 13.791 -11.808 -8.984 1.00 0.00 H new ATOM 0 HB2 PHE A 99 12.052 -13.075 -10.011 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.212 -13.322 -8.493 1.00 0.00 H new ATOM 0 HD1 PHE A 99 12.051 -10.765 -11.050 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.579 -11.779 -7.731 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.620 -8.825 -11.523 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.148 -9.840 -8.200 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.666 -8.358 -10.098 1.00 0.00 H new ATOM 1526 N ALA A 100 12.432 -11.767 -6.012 1.00 0.00 N ATOM 1527 CA ALA A 100 12.127 -10.917 -4.866 1.00 0.00 C ATOM 1528 C ALA A 100 13.206 -9.858 -4.658 1.00 0.00 C ATOM 1529 O ALA A 100 12.906 -8.681 -4.496 1.00 0.00 O ATOM 1530 CB ALA A 100 11.972 -11.763 -3.612 1.00 0.00 C ATOM 0 H ALA A 100 12.351 -12.767 -5.827 1.00 0.00 H new ATOM 0 HA ALA A 100 11.187 -10.403 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.745 -11.118 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.160 -12.477 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.900 -12.302 -3.420 1.00 0.00 H new ATOM 1536 N ARG A 101 14.461 -10.286 -4.677 1.00 0.00 N ATOM 1537 CA ARG A 101 15.592 -9.382 -4.483 1.00 0.00 C ATOM 1538 C ARG A 101 15.640 -8.291 -5.547 1.00 0.00 C ATOM 1539 O ARG A 101 15.619 -7.100 -5.231 1.00 0.00 O ATOM 1540 CB ARG A 101 16.889 -10.172 -4.528 1.00 0.00 C ATOM 1541 CG ARG A 101 18.139 -9.322 -4.356 1.00 0.00 C ATOM 1542 CD ARG A 101 19.384 -10.184 -4.248 1.00 0.00 C ATOM 1543 NE ARG A 101 20.586 -9.394 -3.994 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.754 -9.922 -3.636 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.880 -11.236 -3.502 1.00 0.00 N ATOM 1546 NH2 ARG A 101 22.798 -9.136 -3.412 1.00 0.00 N ATOM 0 H ARG A 101 14.725 -11.260 -4.826 1.00 0.00 H new ATOM 0 HA ARG A 101 15.467 -8.904 -3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.868 -10.930 -3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.949 -10.699 -5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.238 -8.642 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.042 -8.706 -3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.252 -10.909 -3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.512 -10.750 -5.171 1.00 0.00 H new ATOM 0 HE ARG A 101 20.527 -8.381 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.080 -11.845 -3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.777 -11.637 -3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.707 -8.125 -3.514 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.693 -9.542 -3.138 1.00 0.00 H new ATOM 1560 N LYS A 102 15.721 -8.711 -6.809 1.00 0.00 N ATOM 1561 CA LYS A 102 15.795 -7.782 -7.937 1.00 0.00 C ATOM 1562 C LYS A 102 14.766 -6.664 -7.805 1.00 0.00 C ATOM 1563 O LYS A 102 14.940 -5.575 -8.352 1.00 0.00 O ATOM 1564 CB LYS A 102 15.579 -8.534 -9.251 1.00 0.00 C ATOM 1565 CG LYS A 102 15.830 -7.684 -10.485 1.00 0.00 C ATOM 1566 CD LYS A 102 17.299 -7.308 -10.620 1.00 0.00 C ATOM 1567 CE LYS A 102 18.160 -8.522 -10.932 1.00 0.00 C ATOM 1568 NZ LYS A 102 17.778 -9.155 -12.223 1.00 0.00 N ATOM 0 H LYS A 102 15.737 -9.695 -7.077 1.00 0.00 H new ATOM 0 HA LYS A 102 16.787 -7.331 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.239 -9.401 -9.277 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.557 -8.911 -9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.511 -8.229 -11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.226 -6.778 -10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.414 -6.566 -11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.643 -6.845 -9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 102 19.208 -8.224 -10.970 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.065 -9.251 -10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.551 -9.768 -12.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.918 -9.724 -12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.597 -8.416 -12.932 1.00 0.00 H new ATOM 1582 N VAL A 103 13.697 -6.945 -7.074 1.00 0.00 N ATOM 1583 CA VAL A 103 12.635 -5.977 -6.855 1.00 0.00 C ATOM 1584 C VAL A 103 13.111 -4.816 -5.982 1.00 0.00 C ATOM 1585 O VAL A 103 12.973 -3.651 -6.351 1.00 0.00 O ATOM 1586 CB VAL A 103 11.423 -6.652 -6.188 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.443 -5.616 -5.651 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.729 -7.587 -7.166 1.00 0.00 C ATOM 0 H VAL A 103 13.543 -7.845 -6.619 1.00 0.00 H new ATOM 0 HA VAL A 103 12.344 -5.583 -7.829 1.00 0.00 H new ATOM 0 HB VAL A 103 11.787 -7.239 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.597 -6.122 -5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.943 -4.991 -4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.086 -4.993 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.875 -8.056 -6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.386 -7.019 -8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.428 -8.357 -7.491 1.00 0.00 H new ATOM 1598 N ALA A 104 13.672 -5.151 -4.824 1.00 0.00 N ATOM 1599 CA ALA A 104 14.163 -4.152 -3.878 1.00 0.00 C ATOM 1600 C ALA A 104 15.133 -3.168 -4.524 1.00 0.00 C ATOM 1601 O ALA A 104 14.875 -1.966 -4.600 1.00 0.00 O ATOM 1602 CB ALA A 104 14.859 -4.857 -2.724 1.00 0.00 C ATOM 0 H ALA A 104 13.799 -6.115 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 104 13.304 -3.582 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.228 -4.116 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.153 -5.519 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.696 -5.441 -3.106 1.00 0.00 H new ATOM 1608 N VAL A 105 16.247 -3.709 -4.982 1.00 0.00 N ATOM 1609 CA VAL A 105 17.319 -2.936 -5.603 1.00 0.00 C ATOM 1610 C VAL A 105 16.836 -2.029 -6.739 1.00 0.00 C ATOM 1611 O VAL A 105 16.953 -0.808 -6.653 1.00 0.00 O ATOM 1612 CB VAL A 105 18.422 -3.864 -6.151 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.603 -3.055 -6.665 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.869 -4.850 -5.083 1.00 0.00 C ATOM 0 H VAL A 105 16.440 -4.709 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 105 17.713 -2.300 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 105 18.009 -4.428 -6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.368 -3.731 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.271 -2.394 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.018 -2.459 -5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.648 -5.497 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.261 -4.304 -4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.020 -5.457 -4.770 1.00 0.00 H new ATOM 1624 N ASN A 106 16.301 -2.626 -7.800 1.00 0.00 N ATOM 1625 CA ASN A 106 15.841 -1.860 -8.960 1.00 0.00 C ATOM 1626 C ASN A 106 14.828 -0.784 -8.585 1.00 0.00 C ATOM 1627 O ASN A 106 14.797 0.285 -9.197 1.00 0.00 O ATOM 1628 CB ASN A 106 15.224 -2.785 -10.009 1.00 0.00 C ATOM 1629 CG ASN A 106 16.251 -3.668 -10.690 1.00 0.00 C ATOM 1630 OD1 ASN A 106 15.781 -4.730 -11.331 1.00 0.00 O flip ATOM 1631 ND2 ASN A 106 17.450 -3.390 -10.655 1.00 0.00 N flip ATOM 0 H ASN A 106 16.174 -3.635 -7.883 1.00 0.00 H new ATOM 0 HA ASN A 106 16.722 -1.366 -9.371 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.469 -3.412 -9.535 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.712 -2.184 -10.761 1.00 0.00 H new ATOM 0 HD21 ASN A 106 17.767 -2.563 -10.150 1.00 0.00 H new ATOM 0 HD22 ASN A 106 18.126 -3.987 -11.131 1.00 0.00 H new ATOM 1638 N TYR A 107 13.998 -1.065 -7.589 1.00 0.00 N ATOM 1639 CA TYR A 107 12.981 -0.129 -7.159 1.00 0.00 C ATOM 1640 C TYR A 107 13.603 1.190 -6.704 1.00 0.00 C ATOM 1641 O TYR A 107 12.986 2.250 -6.806 1.00 0.00 O ATOM 1642 CB TYR A 107 12.157 -0.772 -6.047 1.00 0.00 C ATOM 1643 CG TYR A 107 11.358 0.202 -5.232 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.381 0.999 -5.808 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.595 0.322 -3.881 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.659 1.895 -5.047 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.882 1.214 -3.107 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.913 2.000 -3.696 1.00 0.00 C ATOM 1649 OH TYR A 107 9.200 2.894 -2.934 1.00 0.00 O ATOM 0 H TYR A 107 14.014 -1.940 -7.065 1.00 0.00 H new ATOM 0 HA TYR A 107 12.326 0.106 -7.998 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.478 -1.502 -6.489 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.827 -1.320 -5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.182 0.917 -6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.353 -0.293 -3.419 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.900 2.510 -5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.081 1.296 -2.049 1.00 0.00 H new ATOM 0 HH TYR A 107 9.819 3.435 -2.400 1.00 0.00 H new ATOM 1659 N LEU A 108 14.835 1.112 -6.212 1.00 0.00 N ATOM 1660 CA LEU A 108 15.556 2.291 -5.739 1.00 0.00 C ATOM 1661 C LEU A 108 15.783 3.299 -6.862 1.00 0.00 C ATOM 1662 O LEU A 108 16.123 4.455 -6.610 1.00 0.00 O ATOM 1663 CB LEU A 108 16.902 1.876 -5.145 1.00 0.00 C ATOM 1664 CG LEU A 108 16.869 1.484 -3.669 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.179 0.827 -3.260 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.593 2.704 -2.803 1.00 0.00 C ATOM 0 H LEU A 108 15.358 0.240 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 108 14.945 2.768 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.290 1.035 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.605 2.699 -5.270 1.00 0.00 H new ATOM 0 HG LEU A 108 16.064 0.764 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.136 0.555 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.339 -0.069 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.002 1.524 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.573 2.408 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.378 3.444 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.630 3.135 -3.077 1.00 0.00 H new ATOM 1678 N GLU A 109 15.596 2.856 -8.099 1.00 0.00 N ATOM 1679 CA GLU A 109 15.793 3.717 -9.260 1.00 0.00 C ATOM 1680 C GLU A 109 14.600 4.640 -9.492 1.00 0.00 C ATOM 1681 O GLU A 109 14.553 5.361 -10.488 1.00 0.00 O ATOM 1682 CB GLU A 109 16.040 2.866 -10.507 1.00 0.00 C ATOM 1683 CG GLU A 109 17.348 2.094 -10.465 1.00 0.00 C ATOM 1684 CD GLU A 109 17.491 1.129 -11.626 1.00 0.00 C ATOM 1685 OE1 GLU A 109 16.902 0.030 -11.561 1.00 0.00 O ATOM 1686 OE2 GLU A 109 18.192 1.473 -12.600 1.00 0.00 O ATOM 0 H GLU A 109 15.308 1.904 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 109 16.664 4.342 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.216 2.163 -10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.037 3.512 -11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.181 2.797 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.410 1.541 -9.528 1.00 0.00 H new ATOM 1693 N THR A 110 13.639 4.621 -8.571 1.00 0.00 N ATOM 1694 CA THR A 110 12.453 5.460 -8.699 1.00 0.00 C ATOM 1695 C THR A 110 11.937 5.925 -7.339 1.00 0.00 C ATOM 1696 O THR A 110 11.422 7.038 -7.211 1.00 0.00 O ATOM 1697 CB THR A 110 11.315 4.718 -9.426 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.072 3.455 -8.796 1.00 0.00 O ATOM 1699 CG2 THR A 110 11.655 4.501 -10.894 1.00 0.00 C ATOM 0 H THR A 110 13.659 4.038 -7.734 1.00 0.00 H new ATOM 0 HA THR A 110 12.757 6.328 -9.284 1.00 0.00 H new ATOM 0 HB THR A 110 10.417 5.333 -9.366 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.723 3.318 -8.076 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.835 3.975 -11.384 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.808 5.465 -11.378 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.565 3.907 -10.973 1.00 0.00 H new ATOM 1707 N HIS A 111 12.079 5.070 -6.330 1.00 0.00 N ATOM 1708 CA HIS A 111 11.610 5.386 -4.983 1.00 0.00 C ATOM 1709 C HIS A 111 10.113 5.678 -4.999 1.00 0.00 C ATOM 1710 O HIS A 111 9.712 6.749 -4.497 1.00 0.00 O ATOM 1711 CB HIS A 111 12.367 6.584 -4.401 1.00 0.00 C ATOM 1712 CG HIS A 111 13.838 6.357 -4.251 1.00 0.00 C ATOM 1713 ND1 HIS A 111 14.788 7.123 -4.896 1.00 0.00 N ATOM 1714 CD2 HIS A 111 14.525 5.453 -3.514 1.00 0.00 C ATOM 1715 CE1 HIS A 111 15.994 6.700 -4.561 1.00 0.00 C ATOM 1716 NE2 HIS A 111 15.862 5.688 -3.724 1.00 0.00 N ATOM 1717 OXT HIS A 111 9.357 4.841 -5.531 1.00 0.00 O ATOM 0 H HIS A 111 12.515 4.152 -6.419 1.00 0.00 H new ATOM 0 HA HIS A 111 11.800 4.519 -4.350 1.00 0.00 H new ATOM 0 HB2 HIS A 111 12.207 7.450 -5.044 1.00 0.00 H new ATOM 0 HB3 HIS A 111 11.946 6.829 -3.426 1.00 0.00 H new ATOM 0 HD1 HIS A 111 14.590 7.895 -5.532 1.00 0.00 H new ATOM 0 HD2 HIS A 111 14.101 4.689 -2.879 1.00 0.00 H new ATOM 0 HE1 HIS A 111 16.929 7.112 -4.912 1.00 0.00 H new TER 1726 HIS A 111