USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=16 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 Set 1.1: A 110 THR OG1 : rot -50:sc= 0.785 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.0294 X(o=0.76,f=0.65) USER MOD Set 2.1: A 48 ASN : amide:sc= -5.57! K(o=-7.8!,f=-1.9) USER MOD Set 2.2: A 79 GLN : amide:sc= -2.25! K(o=-7.8!,f=-1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.162 (180deg=-0.444) USER MOD Single : A 5 ASN : amide:sc= -1.45! C(o=-1.5!,f=-4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -162:sc= -0.155 (180deg=-0.706) USER MOD Single : A 30 SER OG : rot 67:sc= 1.23 USER MOD Single : A 32 SER OG : rot 73:sc= 0.0282 USER MOD Single : A 33 ASN : amide:sc= -0.77 K(o=-0.77,f=-7.5!) USER MOD Single : A 50 GLN : amide:sc= -4.93! K(o=-4.9!,f=0.13) USER MOD Single : A 60 LYS NZ :NH3+ -163:sc= -0.0729 (180deg=-0.412) USER MOD Single : A 66 SER OG : rot 115:sc= 1.25 USER MOD Single : A 71 SER OG : rot -67:sc= 0.774 USER MOD Single : A 76 SER OG : rot 102:sc= 1.12 USER MOD Single : A 89 MET CE :methyl 129:sc= -5.91 (180deg=-6.39!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -74:sc= 0.269 USER MOD Single : A 97 THR OG1 : rot -74:sc= 0.466 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.98!) USER MOD Single : A 107 TYR OH : rot 65:sc= -2.49! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.089 3.742 19.459 1.00 0.00 N ATOM 2 CA MET A 1 -12.481 3.849 19.966 1.00 0.00 C ATOM 3 C MET A 1 -12.817 5.291 20.333 1.00 0.00 C ATOM 4 O MET A 1 -13.981 5.633 20.543 1.00 0.00 O ATOM 5 CB MET A 1 -12.668 2.947 21.189 1.00 0.00 C ATOM 6 CG MET A 1 -12.457 1.470 20.896 1.00 0.00 C ATOM 7 SD MET A 1 -12.658 0.435 22.358 1.00 0.00 S ATOM 8 CE MET A 1 -12.165 -1.162 21.711 1.00 0.00 C ATOM 0 H1 MET A 1 -10.957 2.819 18.999 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.911 4.501 18.771 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.423 3.831 20.253 1.00 0.00 H new ATOM 0 HA MET A 1 -13.156 3.526 19.174 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.972 3.257 21.968 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.673 3.090 21.585 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.164 1.151 20.130 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.457 1.324 20.487 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.236 -1.912 22.499 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.822 -1.439 20.887 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.137 -1.108 21.353 1.00 0.00 H new ATOM 18 N ALA A 2 -11.792 6.134 20.405 1.00 0.00 N ATOM 19 CA ALA A 2 -11.980 7.539 20.747 1.00 0.00 C ATOM 20 C ALA A 2 -11.685 8.443 19.553 1.00 0.00 C ATOM 21 O ALA A 2 -10.632 9.080 19.491 1.00 0.00 O ATOM 22 CB ALA A 2 -11.101 7.915 21.930 1.00 0.00 C ATOM 0 H ALA A 2 -10.823 5.868 20.231 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.024 7.683 21.024 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.251 8.966 22.175 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.366 7.301 22.790 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.055 7.748 21.674 1.00 0.00 H new ATOM 28 N ASP A 3 -12.622 8.487 18.609 1.00 0.00 N ATOM 29 CA ASP A 3 -12.475 9.309 17.411 1.00 0.00 C ATOM 30 C ASP A 3 -11.136 9.045 16.724 1.00 0.00 C ATOM 31 O ASP A 3 -10.168 9.780 16.925 1.00 0.00 O ATOM 32 CB ASP A 3 -12.599 10.792 17.764 1.00 0.00 C ATOM 33 CG ASP A 3 -13.908 11.113 18.461 1.00 0.00 C ATOM 34 OD1 ASP A 3 -13.992 10.905 19.690 1.00 0.00 O ATOM 35 OD2 ASP A 3 -14.849 11.569 17.778 1.00 0.00 O ATOM 0 H ASP A 3 -13.495 7.961 18.651 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.273 9.040 16.719 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.768 11.080 18.407 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.519 11.387 16.854 1.00 0.00 H new ATOM 40 N GLU A 4 -11.089 7.991 15.915 1.00 0.00 N ATOM 41 CA GLU A 4 -9.869 7.629 15.199 1.00 0.00 C ATOM 42 C GLU A 4 -10.177 6.671 14.052 1.00 0.00 C ATOM 43 O GLU A 4 -9.967 6.999 12.885 1.00 0.00 O ATOM 44 CB GLU A 4 -8.862 6.987 16.155 1.00 0.00 C ATOM 45 CG GLU A 4 -7.540 6.628 15.495 1.00 0.00 C ATOM 46 CD GLU A 4 -6.582 5.937 16.447 1.00 0.00 C ATOM 47 OE1 GLU A 4 -6.644 4.694 16.555 1.00 0.00 O ATOM 48 OE2 GLU A 4 -5.771 6.639 17.086 1.00 0.00 O ATOM 0 H GLU A 4 -11.881 7.373 15.738 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.437 8.540 14.785 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.672 7.671 16.982 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.302 6.086 16.582 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.729 5.978 14.641 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.073 7.534 15.109 1.00 0.00 H new ATOM 55 N ASN A 5 -10.676 5.486 14.395 1.00 0.00 N ATOM 56 CA ASN A 5 -11.013 4.481 13.393 1.00 0.00 C ATOM 57 C ASN A 5 -12.420 3.940 13.621 1.00 0.00 C ATOM 58 O ASN A 5 -12.628 3.046 14.443 1.00 0.00 O ATOM 59 CB ASN A 5 -10.001 3.332 13.424 1.00 0.00 C ATOM 60 CG ASN A 5 -10.067 2.470 12.179 1.00 0.00 C ATOM 61 OD1 ASN A 5 -10.359 2.959 11.088 1.00 0.00 O ATOM 62 ND2 ASN A 5 -9.797 1.179 12.335 1.00 0.00 N ATOM 0 H ASN A 5 -10.855 5.200 15.357 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.978 4.957 12.413 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.995 3.740 13.527 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.185 2.713 14.302 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.827 0.551 11.532 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.559 0.816 13.258 1.00 0.00 H new ATOM 69 N LYS A 6 -13.384 4.490 12.891 1.00 0.00 N ATOM 70 CA LYS A 6 -14.776 4.066 13.008 1.00 0.00 C ATOM 71 C LYS A 6 -15.425 3.961 11.632 1.00 0.00 C ATOM 72 O LYS A 6 -14.816 4.317 10.623 1.00 0.00 O ATOM 73 CB LYS A 6 -15.557 5.051 13.881 1.00 0.00 C ATOM 74 CG LYS A 6 -15.041 5.148 15.307 1.00 0.00 C ATOM 75 CD LYS A 6 -15.808 6.193 16.102 1.00 0.00 C ATOM 76 CE LYS A 6 -15.281 6.310 17.524 1.00 0.00 C ATOM 77 NZ LYS A 6 -16.044 7.313 18.320 1.00 0.00 N ATOM 0 H LYS A 6 -13.227 5.233 12.210 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.796 3.082 13.477 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.518 6.039 13.422 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.605 4.751 13.903 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.131 4.178 15.795 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.981 5.402 15.296 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.731 7.159 15.604 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -16.866 5.930 16.125 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.339 5.338 18.014 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.228 6.592 17.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.653 7.362 19.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.968 8.246 17.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.044 7.031 18.366 1.00 0.00 H new ATOM 91 N TRP A 7 -16.664 3.473 11.598 1.00 0.00 N ATOM 92 CA TRP A 7 -17.394 3.319 10.342 1.00 0.00 C ATOM 93 C TRP A 7 -16.635 2.397 9.390 1.00 0.00 C ATOM 94 O TRP A 7 -16.788 2.483 8.172 1.00 0.00 O ATOM 95 CB TRP A 7 -17.615 4.683 9.680 1.00 0.00 C ATOM 96 CG TRP A 7 -18.232 5.702 10.592 1.00 0.00 C ATOM 97 CD1 TRP A 7 -17.593 6.447 11.541 1.00 0.00 C ATOM 98 CD2 TRP A 7 -19.610 6.090 10.638 1.00 0.00 C ATOM 99 NE1 TRP A 7 -18.489 7.270 12.178 1.00 0.00 N ATOM 100 CE2 TRP A 7 -19.735 7.070 11.642 1.00 0.00 C ATOM 101 CE3 TRP A 7 -20.749 5.705 9.931 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -20.953 7.667 11.952 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -21.960 6.299 10.239 1.00 0.00 C ATOM 104 CH2 TRP A 7 -22.053 7.270 11.242 1.00 0.00 C ATOM 0 H TRP A 7 -17.182 3.178 12.425 1.00 0.00 H new ATOM 0 HA TRP A 7 -18.363 2.873 10.565 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -16.658 5.062 9.320 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -18.255 4.554 8.807 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -16.536 6.396 11.759 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -18.264 7.924 12.928 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -20.687 4.956 9.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -21.027 8.417 12.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -22.848 6.009 9.697 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -23.013 7.715 11.460 1.00 0.00 H new ATOM 115 N VAL A 8 -15.823 1.510 9.959 1.00 0.00 N ATOM 116 CA VAL A 8 -15.026 0.577 9.167 1.00 0.00 C ATOM 117 C VAL A 8 -15.650 -0.817 9.142 1.00 0.00 C ATOM 118 O VAL A 8 -16.251 -1.259 10.121 1.00 0.00 O ATOM 119 CB VAL A 8 -13.590 0.472 9.719 1.00 0.00 C ATOM 120 CG1 VAL A 8 -12.714 -0.362 8.798 1.00 0.00 C ATOM 121 CG2 VAL A 8 -12.993 1.855 9.922 1.00 0.00 C ATOM 0 H VAL A 8 -15.699 1.418 10.967 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.000 0.970 8.151 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.634 -0.028 10.686 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.706 -0.421 9.209 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.130 -1.366 8.711 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.677 0.102 7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.980 1.760 10.312 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.967 2.384 8.969 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.604 2.414 10.631 1.00 0.00 H new ATOM 131 N ARG A 9 -15.501 -1.501 8.007 1.00 0.00 N ATOM 132 CA ARG A 9 -16.026 -2.854 7.835 1.00 0.00 C ATOM 133 C ARG A 9 -17.542 -2.896 7.986 1.00 0.00 C ATOM 134 O ARG A 9 -18.130 -3.971 8.115 1.00 0.00 O ATOM 135 CB ARG A 9 -15.363 -3.810 8.832 1.00 0.00 C ATOM 136 CG ARG A 9 -15.523 -5.280 8.475 1.00 0.00 C ATOM 137 CD ARG A 9 -14.730 -6.170 9.418 1.00 0.00 C ATOM 138 NE ARG A 9 -15.158 -6.019 10.806 1.00 0.00 N ATOM 139 CZ ARG A 9 -14.651 -6.720 11.816 1.00 0.00 C ATOM 140 NH1 ARG A 9 -13.697 -7.614 11.598 1.00 0.00 N ATOM 141 NH2 ARG A 9 -15.097 -6.525 13.049 1.00 0.00 N ATOM 0 H ARG A 9 -15.017 -1.135 7.187 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.789 -3.175 6.821 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.301 -3.575 8.894 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.786 -3.638 9.822 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.577 -5.553 8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.190 -5.445 7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.844 -7.211 9.115 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.670 -5.929 9.338 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.888 -5.337 11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.348 -7.767 10.652 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.312 -8.149 12.376 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.829 -5.837 13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.708 -7.063 13.823 1.00 0.00 H new ATOM 155 N ARG A 10 -18.179 -1.732 7.964 1.00 0.00 N ATOM 156 CA ARG A 10 -19.627 -1.677 8.072 1.00 0.00 C ATOM 157 C ARG A 10 -20.256 -2.318 6.845 1.00 0.00 C ATOM 158 O ARG A 10 -20.258 -1.727 5.764 1.00 0.00 O ATOM 159 CB ARG A 10 -20.114 -0.234 8.207 1.00 0.00 C ATOM 160 CG ARG A 10 -19.727 0.428 9.518 1.00 0.00 C ATOM 161 CD ARG A 10 -20.556 1.678 9.766 1.00 0.00 C ATOM 162 NE ARG A 10 -20.574 2.562 8.603 1.00 0.00 N ATOM 163 CZ ARG A 10 -21.682 3.106 8.106 1.00 0.00 C ATOM 164 NH1 ARG A 10 -22.856 2.864 8.673 1.00 0.00 N ATOM 165 NH2 ARG A 10 -21.613 3.896 7.044 1.00 0.00 N ATOM 0 H ARG A 10 -17.721 -0.825 7.873 1.00 0.00 H new ATOM 0 HA ARG A 10 -19.925 -2.224 8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -19.711 0.353 7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -21.200 -0.217 8.110 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -19.868 -0.275 10.339 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.669 0.688 9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -21.577 1.392 10.020 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -20.153 2.216 10.624 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.687 2.774 8.146 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -22.912 2.259 9.493 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -23.703 3.283 8.290 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -20.711 4.087 6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -22.462 4.313 6.663 1.00 0.00 H new ATOM 179 N ASP A 11 -20.769 -3.536 7.012 1.00 0.00 N ATOM 180 CA ASP A 11 -21.400 -4.264 5.914 1.00 0.00 C ATOM 181 C ASP A 11 -20.373 -4.671 4.859 1.00 0.00 C ATOM 182 O ASP A 11 -20.705 -5.355 3.890 1.00 0.00 O ATOM 183 CB ASP A 11 -22.483 -3.404 5.270 1.00 0.00 C ATOM 184 CG ASP A 11 -23.313 -4.170 4.258 1.00 0.00 C ATOM 185 OD1 ASP A 11 -24.159 -4.987 4.679 1.00 0.00 O ATOM 186 OD2 ASP A 11 -23.117 -3.952 3.043 1.00 0.00 O ATOM 0 H ASP A 11 -20.760 -4.040 7.899 1.00 0.00 H new ATOM 0 HA ASP A 11 -21.848 -5.169 6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -23.138 -3.009 6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -22.018 -2.548 4.780 1.00 0.00 H new ATOM 191 N VAL A 12 -19.128 -4.247 5.052 1.00 0.00 N ATOM 192 CA VAL A 12 -18.060 -4.559 4.109 1.00 0.00 C ATOM 193 C VAL A 12 -17.569 -5.994 4.279 1.00 0.00 C ATOM 194 O VAL A 12 -17.260 -6.429 5.388 1.00 0.00 O ATOM 195 CB VAL A 12 -16.869 -3.596 4.272 1.00 0.00 C ATOM 196 CG1 VAL A 12 -15.815 -3.864 3.210 1.00 0.00 C ATOM 197 CG2 VAL A 12 -17.338 -2.149 4.214 1.00 0.00 C ATOM 0 H VAL A 12 -18.834 -3.687 5.852 1.00 0.00 H new ATOM 0 HA VAL A 12 -18.480 -4.442 3.110 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.419 -3.769 5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.982 -3.174 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.456 -4.889 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.251 -3.722 2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.482 -1.484 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -17.816 -1.960 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -18.052 -1.966 5.017 1.00 0.00 H new ATOM 207 N SER A 13 -17.502 -6.721 3.167 1.00 0.00 N ATOM 208 CA SER A 13 -17.048 -8.108 3.177 1.00 0.00 C ATOM 209 C SER A 13 -16.706 -8.567 1.764 1.00 0.00 C ATOM 210 O SER A 13 -15.995 -9.554 1.572 1.00 0.00 O ATOM 211 CB SER A 13 -18.124 -9.016 3.775 1.00 0.00 C ATOM 212 OG SER A 13 -19.308 -8.988 2.999 1.00 0.00 O ATOM 0 H SER A 13 -17.758 -6.370 2.244 1.00 0.00 H new ATOM 0 HA SER A 13 -16.151 -8.171 3.793 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.749 -10.038 3.834 1.00 0.00 H new ATOM 0 HB3 SER A 13 -18.346 -8.698 4.794 1.00 0.00 H new ATOM 0 HG SER A 13 -19.978 -9.578 3.403 1.00 0.00 H new ATOM 218 N THR A 14 -17.222 -7.839 0.778 1.00 0.00 N ATOM 219 CA THR A 14 -16.976 -8.156 -0.624 1.00 0.00 C ATOM 220 C THR A 14 -16.701 -6.888 -1.424 1.00 0.00 C ATOM 221 O THR A 14 -16.298 -6.944 -2.585 1.00 0.00 O ATOM 222 CB THR A 14 -18.174 -8.893 -1.253 1.00 0.00 C ATOM 223 OG1 THR A 14 -19.364 -8.109 -1.103 1.00 0.00 O ATOM 224 CG2 THR A 14 -18.373 -10.255 -0.605 1.00 0.00 C ATOM 0 H THR A 14 -17.815 -7.023 0.926 1.00 0.00 H new ATOM 0 HA THR A 14 -16.103 -8.807 -0.656 1.00 0.00 H new ATOM 0 HB THR A 14 -17.967 -9.040 -2.313 1.00 0.00 H new ATOM 0 HG1 THR A 14 -20.121 -8.583 -1.507 1.00 0.00 H new ATOM 0 HG21 THR A 14 -19.224 -10.756 -1.066 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.477 -10.859 -0.745 1.00 0.00 H new ATOM 0 HG23 THR A 14 -18.561 -10.127 0.461 1.00 0.00 H new ATOM 232 N ALA A 15 -16.923 -5.744 -0.785 1.00 0.00 N ATOM 233 CA ALA A 15 -16.708 -4.448 -1.416 1.00 0.00 C ATOM 234 C ALA A 15 -15.254 -4.007 -1.298 1.00 0.00 C ATOM 235 O ALA A 15 -14.884 -2.938 -1.785 1.00 0.00 O ATOM 236 CB ALA A 15 -17.627 -3.405 -0.802 1.00 0.00 C ATOM 0 H ALA A 15 -17.255 -5.689 0.178 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.942 -4.548 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.456 -2.442 -1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -18.665 -3.704 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.420 -3.320 0.265 1.00 0.00 H new ATOM 242 N LEU A 16 -14.437 -4.829 -0.638 1.00 0.00 N ATOM 243 CA LEU A 16 -13.017 -4.524 -0.442 1.00 0.00 C ATOM 244 C LEU A 16 -12.350 -4.061 -1.736 1.00 0.00 C ATOM 245 O LEU A 16 -11.263 -3.484 -1.703 1.00 0.00 O ATOM 246 CB LEU A 16 -12.273 -5.744 0.113 1.00 0.00 C ATOM 247 CG LEU A 16 -12.145 -6.929 -0.849 1.00 0.00 C ATOM 248 CD1 LEU A 16 -11.025 -7.856 -0.404 1.00 0.00 C ATOM 249 CD2 LEU A 16 -13.459 -7.689 -0.943 1.00 0.00 C ATOM 0 H LEU A 16 -14.735 -5.714 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.962 -3.708 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.273 -5.432 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.786 -6.082 1.013 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.902 -6.542 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.948 -8.693 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.083 -7.308 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.240 -8.233 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.346 -8.527 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.734 -8.064 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.240 -7.022 -1.308 1.00 0.00 H new ATOM 261 N SER A 17 -12.996 -4.328 -2.869 1.00 0.00 N ATOM 262 CA SER A 17 -12.465 -3.925 -4.168 1.00 0.00 C ATOM 263 C SER A 17 -11.983 -2.482 -4.131 1.00 0.00 C ATOM 264 O SER A 17 -10.902 -2.169 -4.631 1.00 0.00 O ATOM 265 CB SER A 17 -13.531 -4.091 -5.252 1.00 0.00 C ATOM 266 OG SER A 17 -13.939 -5.445 -5.361 1.00 0.00 O ATOM 0 H SER A 17 -13.888 -4.822 -2.913 1.00 0.00 H new ATOM 0 HA SER A 17 -11.616 -4.568 -4.402 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.393 -3.466 -5.018 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.138 -3.748 -6.209 1.00 0.00 H new ATOM 0 HG SER A 17 -14.622 -5.526 -6.059 1.00 0.00 H new ATOM 272 N ARG A 18 -12.785 -1.607 -3.531 1.00 0.00 N ATOM 273 CA ARG A 18 -12.425 -0.200 -3.431 1.00 0.00 C ATOM 274 C ARG A 18 -13.420 0.569 -2.566 1.00 0.00 C ATOM 275 O ARG A 18 -14.504 0.935 -3.023 1.00 0.00 O ATOM 276 CB ARG A 18 -12.344 0.424 -4.825 1.00 0.00 C ATOM 277 CG ARG A 18 -11.520 1.697 -4.872 1.00 0.00 C ATOM 278 CD ARG A 18 -10.073 1.441 -4.477 1.00 0.00 C ATOM 279 NE ARG A 18 -9.405 0.529 -5.405 1.00 0.00 N ATOM 280 CZ ARG A 18 -8.274 -0.113 -5.124 1.00 0.00 C ATOM 281 NH1 ARG A 18 -7.686 0.052 -3.946 1.00 0.00 N ATOM 282 NH2 ARG A 18 -7.729 -0.923 -6.023 1.00 0.00 N ATOM 0 H ARG A 18 -13.682 -1.847 -3.110 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.447 -0.137 -2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.915 -0.303 -5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.353 0.641 -5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.555 2.117 -5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.955 2.438 -4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.533 2.387 -4.447 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.040 1.023 -3.471 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.830 0.376 -6.319 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.101 0.673 -3.251 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.819 -0.442 -3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.177 -1.054 -6.930 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.862 -1.415 -5.807 1.00 0.00 H new ATOM 296 N MET A 19 -13.041 0.810 -1.314 1.00 0.00 N ATOM 297 CA MET A 19 -13.888 1.541 -0.377 1.00 0.00 C ATOM 298 C MET A 19 -13.084 2.614 0.348 1.00 0.00 C ATOM 299 O MET A 19 -13.624 3.645 0.753 1.00 0.00 O ATOM 300 CB MET A 19 -14.505 0.582 0.643 1.00 0.00 C ATOM 301 CG MET A 19 -15.420 -0.461 0.023 1.00 0.00 C ATOM 302 SD MET A 19 -16.836 0.268 -0.821 1.00 0.00 S ATOM 303 CE MET A 19 -17.640 1.119 0.535 1.00 0.00 C ATOM 0 H MET A 19 -12.148 0.508 -0.924 1.00 0.00 H new ATOM 0 HA MET A 19 -14.686 2.021 -0.944 1.00 0.00 H new ATOM 0 HB2 MET A 19 -13.705 0.076 1.183 1.00 0.00 H new ATOM 0 HB3 MET A 19 -15.069 1.159 1.376 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.851 -1.063 -0.685 1.00 0.00 H new ATOM 0 HG3 MET A 19 -15.775 -1.136 0.802 1.00 0.00 H new ATOM 0 HE1 MET A 19 -18.671 1.344 0.263 1.00 0.00 H new ATOM 0 HE2 MET A 19 -17.629 0.484 1.421 1.00 0.00 H new ATOM 0 HE3 MET A 19 -17.110 2.047 0.747 1.00 0.00 H new ATOM 313 N GLY A 20 -11.788 2.362 0.501 1.00 0.00 N ATOM 314 CA GLY A 20 -10.918 3.305 1.179 1.00 0.00 C ATOM 315 C GLY A 20 -10.430 2.776 2.512 1.00 0.00 C ATOM 316 O GLY A 20 -9.988 1.631 2.607 1.00 0.00 O ATOM 0 H GLY A 20 -11.323 1.518 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.061 3.529 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.452 4.242 1.335 1.00 0.00 H new ATOM 320 N ASP A 21 -10.508 3.610 3.544 1.00 0.00 N ATOM 321 CA ASP A 21 -10.074 3.216 4.878 1.00 0.00 C ATOM 322 C ASP A 21 -11.033 2.192 5.471 1.00 0.00 C ATOM 323 O ASP A 21 -10.699 1.491 6.428 1.00 0.00 O ATOM 324 CB ASP A 21 -9.989 4.439 5.792 1.00 0.00 C ATOM 325 CG ASP A 21 -9.433 4.099 7.160 1.00 0.00 C ATOM 326 OD1 ASP A 21 -8.203 3.912 7.271 1.00 0.00 O ATOM 327 OD2 ASP A 21 -10.227 4.018 8.121 1.00 0.00 O ATOM 0 H ASP A 21 -10.868 4.562 3.481 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.085 2.765 4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.359 5.196 5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.982 4.875 5.904 1.00 0.00 H new ATOM 332 N GLU A 22 -12.226 2.110 4.893 1.00 0.00 N ATOM 333 CA GLU A 22 -13.242 1.175 5.359 1.00 0.00 C ATOM 334 C GLU A 22 -12.875 -0.255 4.987 1.00 0.00 C ATOM 335 O GLU A 22 -13.237 -1.202 5.686 1.00 0.00 O ATOM 336 CB GLU A 22 -14.601 1.526 4.755 1.00 0.00 C ATOM 337 CG GLU A 22 -14.960 2.996 4.879 1.00 0.00 C ATOM 338 CD GLU A 22 -16.313 3.317 4.278 1.00 0.00 C ATOM 339 OE1 GLU A 22 -16.388 3.493 3.044 1.00 0.00 O ATOM 340 OE2 GLU A 22 -17.298 3.391 5.041 1.00 0.00 O ATOM 0 H GLU A 22 -12.513 2.682 4.099 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.297 1.252 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.604 1.248 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.371 0.930 5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.957 3.279 5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.196 3.596 4.385 1.00 0.00 H new ATOM 347 N ALA A 23 -12.153 -0.403 3.883 1.00 0.00 N ATOM 348 CA ALA A 23 -11.741 -1.716 3.410 1.00 0.00 C ATOM 349 C ALA A 23 -10.277 -1.992 3.729 1.00 0.00 C ATOM 350 O ALA A 23 -9.727 -3.009 3.309 1.00 0.00 O ATOM 351 CB ALA A 23 -11.993 -1.834 1.916 1.00 0.00 C ATOM 0 H ALA A 23 -11.841 0.372 3.298 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.337 -2.465 3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.681 -2.820 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.056 -1.698 1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.423 -1.069 1.389 1.00 0.00 H new ATOM 357 N PHE A 24 -9.650 -1.089 4.477 1.00 0.00 N ATOM 358 CA PHE A 24 -8.253 -1.251 4.851 1.00 0.00 C ATOM 359 C PHE A 24 -8.074 -2.521 5.668 1.00 0.00 C ATOM 360 O PHE A 24 -7.237 -3.365 5.356 1.00 0.00 O ATOM 361 CB PHE A 24 -7.773 -0.042 5.655 1.00 0.00 C ATOM 362 CG PHE A 24 -6.320 0.277 5.456 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.443 -0.671 4.949 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.829 1.530 5.774 1.00 0.00 C ATOM 365 CE1 PHE A 24 -4.114 -0.375 4.765 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.496 1.832 5.591 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.636 0.878 5.084 1.00 0.00 C ATOM 0 H PHE A 24 -10.088 -0.240 4.834 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.657 -1.326 3.942 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.368 0.828 5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.954 -0.226 6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.810 -1.655 4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.497 2.280 6.170 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.444 -1.124 4.370 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.125 2.814 5.844 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.592 1.113 4.938 1.00 0.00 H new ATOM 377 N GLU A 25 -8.854 -2.634 6.731 1.00 0.00 N ATOM 378 CA GLU A 25 -8.808 -3.805 7.597 1.00 0.00 C ATOM 379 C GLU A 25 -9.221 -5.081 6.859 1.00 0.00 C ATOM 380 O GLU A 25 -8.474 -6.057 6.872 1.00 0.00 O ATOM 381 CB GLU A 25 -9.699 -3.610 8.810 1.00 0.00 C ATOM 382 CG GLU A 25 -8.995 -2.986 10.004 1.00 0.00 C ATOM 383 CD GLU A 25 -9.874 -2.936 11.238 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.945 -3.954 11.958 1.00 0.00 O ATOM 385 OE2 GLU A 25 -10.492 -1.879 11.483 1.00 0.00 O ATOM 0 H GLU A 25 -9.530 -1.926 7.017 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.773 -3.920 7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.543 -2.980 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.107 -4.576 9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.093 -3.556 10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.678 -1.975 9.747 1.00 0.00 H new ATOM 392 N PRO A 26 -10.423 -5.114 6.226 1.00 0.00 N ATOM 393 CA PRO A 26 -10.888 -6.296 5.490 1.00 0.00 C ATOM 394 C PRO A 26 -9.777 -6.897 4.644 1.00 0.00 C ATOM 395 O PRO A 26 -9.775 -8.090 4.342 1.00 0.00 O ATOM 396 CB PRO A 26 -12.000 -5.736 4.609 1.00 0.00 C ATOM 397 CG PRO A 26 -12.568 -4.612 5.402 1.00 0.00 C ATOM 398 CD PRO A 26 -11.417 -4.018 6.176 1.00 0.00 C ATOM 0 HA PRO A 26 -11.218 -7.102 6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.612 -5.390 3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.755 -6.492 4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.024 -3.867 4.750 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.348 -4.966 6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -11.014 -3.135 5.680 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.724 -3.710 7.176 1.00 0.00 H new ATOM 406 N LEU A 27 -8.837 -6.044 4.268 1.00 0.00 N ATOM 407 CA LEU A 27 -7.687 -6.448 3.483 1.00 0.00 C ATOM 408 C LEU A 27 -6.701 -7.210 4.360 1.00 0.00 C ATOM 409 O LEU A 27 -6.321 -8.341 4.056 1.00 0.00 O ATOM 410 CB LEU A 27 -7.014 -5.208 2.908 1.00 0.00 C ATOM 411 CG LEU A 27 -7.712 -4.584 1.697 1.00 0.00 C ATOM 412 CD1 LEU A 27 -7.063 -3.257 1.337 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.675 -5.531 0.508 1.00 0.00 C ATOM 0 H LEU A 27 -8.852 -5.051 4.500 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.012 -7.099 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.945 -4.456 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.994 -5.467 2.624 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.755 -4.403 1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.571 -2.826 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.140 -2.573 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.012 -3.419 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.177 -5.068 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.639 -5.745 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.183 -6.460 0.767 1.00 0.00 H new ATOM 425 N LEU A 28 -6.295 -6.569 5.453 1.00 0.00 N ATOM 426 CA LEU A 28 -5.363 -7.166 6.402 1.00 0.00 C ATOM 427 C LEU A 28 -5.955 -8.432 7.011 1.00 0.00 C ATOM 428 O LEU A 28 -5.232 -9.288 7.521 1.00 0.00 O ATOM 429 CB LEU A 28 -5.024 -6.162 7.509 1.00 0.00 C ATOM 430 CG LEU A 28 -4.235 -6.727 8.694 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.912 -7.318 8.228 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.998 -5.648 9.738 1.00 0.00 C ATOM 0 H LEU A 28 -6.601 -5.629 5.703 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.450 -7.431 5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.452 -5.344 7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.954 -5.735 7.885 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.824 -7.524 9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.368 -7.713 9.086 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.103 -8.122 7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.316 -6.542 7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.436 -6.067 10.573 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.432 -4.830 9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.956 -5.273 10.097 1.00 0.00 H new ATOM 444 N GLU A 29 -7.277 -8.543 6.950 1.00 0.00 N ATOM 445 CA GLU A 29 -7.969 -9.698 7.499 1.00 0.00 C ATOM 446 C GLU A 29 -7.911 -10.875 6.527 1.00 0.00 C ATOM 447 O GLU A 29 -7.789 -12.030 6.938 1.00 0.00 O ATOM 448 CB GLU A 29 -9.426 -9.346 7.805 1.00 0.00 C ATOM 449 CG GLU A 29 -10.241 -10.516 8.335 1.00 0.00 C ATOM 450 CD GLU A 29 -11.681 -10.139 8.623 1.00 0.00 C ATOM 451 OE1 GLU A 29 -12.491 -10.126 7.673 1.00 0.00 O ATOM 452 OE2 GLU A 29 -11.998 -9.857 9.798 1.00 0.00 O ATOM 0 H GLU A 29 -7.889 -7.846 6.525 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.470 -9.987 8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.449 -8.538 8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.897 -8.968 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.220 -11.328 7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.778 -10.893 9.247 1.00 0.00 H new ATOM 459 N SER A 30 -7.998 -10.568 5.237 1.00 0.00 N ATOM 460 CA SER A 30 -7.969 -11.588 4.193 1.00 0.00 C ATOM 461 C SER A 30 -6.616 -12.290 4.122 1.00 0.00 C ATOM 462 O SER A 30 -6.550 -13.510 3.976 1.00 0.00 O ATOM 463 CB SER A 30 -8.305 -10.966 2.838 1.00 0.00 C ATOM 464 OG SER A 30 -9.603 -10.397 2.844 1.00 0.00 O ATOM 0 H SER A 30 -8.090 -9.614 4.887 1.00 0.00 H new ATOM 0 HA SER A 30 -8.719 -12.337 4.446 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.570 -10.199 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.242 -11.727 2.060 1.00 0.00 H new ATOM 0 HG SER A 30 -9.621 -9.631 3.455 1.00 0.00 H new ATOM 470 N LEU A 31 -5.535 -11.517 4.227 1.00 0.00 N ATOM 471 CA LEU A 31 -4.188 -12.081 4.157 1.00 0.00 C ATOM 472 C LEU A 31 -3.918 -13.046 5.309 1.00 0.00 C ATOM 473 O LEU A 31 -2.875 -13.698 5.347 1.00 0.00 O ATOM 474 CB LEU A 31 -3.129 -10.970 4.136 1.00 0.00 C ATOM 475 CG LEU A 31 -3.199 -9.954 5.280 1.00 0.00 C ATOM 476 CD1 LEU A 31 -2.589 -10.522 6.554 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.489 -8.669 4.882 1.00 0.00 C ATOM 0 H LEU A 31 -5.565 -10.506 4.360 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.124 -12.645 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.143 -11.435 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.215 -10.431 3.192 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.248 -9.734 5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.652 -9.780 7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.134 -11.419 6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.544 -10.775 6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.545 -7.953 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.444 -8.885 4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.969 -8.247 3.999 1.00 0.00 H new ATOM 489 N SER A 32 -4.856 -13.131 6.246 1.00 0.00 N ATOM 490 CA SER A 32 -4.705 -14.018 7.395 1.00 0.00 C ATOM 491 C SER A 32 -5.289 -15.391 7.090 1.00 0.00 C ATOM 492 O SER A 32 -5.630 -16.152 7.996 1.00 0.00 O ATOM 493 CB SER A 32 -5.390 -13.416 8.622 1.00 0.00 C ATOM 494 OG SER A 32 -4.892 -12.118 8.897 1.00 0.00 O ATOM 0 H SER A 32 -5.726 -12.599 6.233 1.00 0.00 H new ATOM 0 HA SER A 32 -3.642 -14.132 7.605 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.466 -13.369 8.455 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.229 -14.061 9.486 1.00 0.00 H new ATOM 0 HG SER A 32 -5.229 -11.489 8.225 1.00 0.00 H new ATOM 500 N ASN A 33 -5.392 -15.702 5.801 1.00 0.00 N ATOM 501 CA ASN A 33 -5.943 -16.977 5.358 1.00 0.00 C ATOM 502 C ASN A 33 -4.900 -17.789 4.596 1.00 0.00 C ATOM 503 O ASN A 33 -4.077 -17.233 3.867 1.00 0.00 O ATOM 504 CB ASN A 33 -7.166 -16.730 4.476 1.00 0.00 C ATOM 505 CG ASN A 33 -8.277 -16.013 5.219 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.045 -15.376 6.247 1.00 0.00 O ATOM 507 ND2 ASN A 33 -9.490 -16.100 4.694 1.00 0.00 N ATOM 0 H ASN A 33 -5.100 -15.085 5.043 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.240 -17.550 6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.872 -16.139 3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.539 -17.683 4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.275 -15.629 5.143 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.639 -16.638 3.841 1.00 0.00 H new ATOM 514 N GLU A 34 -4.944 -19.109 4.765 1.00 0.00 N ATOM 515 CA GLU A 34 -4.001 -20.002 4.098 1.00 0.00 C ATOM 516 C GLU A 34 -4.198 -19.986 2.583 1.00 0.00 C ATOM 517 O GLU A 34 -3.396 -20.551 1.839 1.00 0.00 O ATOM 518 CB GLU A 34 -4.157 -21.428 4.629 1.00 0.00 C ATOM 519 CG GLU A 34 -3.867 -21.557 6.117 1.00 0.00 C ATOM 520 CD GLU A 34 -2.440 -21.178 6.467 1.00 0.00 C ATOM 521 OE1 GLU A 34 -1.552 -22.050 6.360 1.00 0.00 O ATOM 522 OE2 GLU A 34 -2.212 -20.011 6.848 1.00 0.00 O ATOM 0 H GLU A 34 -5.624 -19.584 5.359 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.994 -19.646 4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.173 -21.771 4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.487 -22.088 4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.555 -20.921 6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.055 -22.583 6.433 1.00 0.00 H new ATOM 529 N ASP A 35 -5.269 -19.338 2.133 1.00 0.00 N ATOM 530 CA ASP A 35 -5.563 -19.248 0.707 1.00 0.00 C ATOM 531 C ASP A 35 -4.675 -18.209 0.032 1.00 0.00 C ATOM 532 O ASP A 35 -4.695 -17.032 0.395 1.00 0.00 O ATOM 533 CB ASP A 35 -7.036 -18.897 0.491 1.00 0.00 C ATOM 534 CG ASP A 35 -7.967 -19.993 0.971 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.260 -20.034 2.185 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.402 -20.812 0.135 1.00 0.00 O ATOM 0 H ASP A 35 -5.946 -18.869 2.734 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.358 -20.219 0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.267 -17.971 1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.211 -18.713 -0.569 1.00 0.00 H new ATOM 541 N TRP A 36 -3.899 -18.652 -0.952 1.00 0.00 N ATOM 542 CA TRP A 36 -2.999 -17.764 -1.680 1.00 0.00 C ATOM 543 C TRP A 36 -3.784 -16.810 -2.573 1.00 0.00 C ATOM 544 O TRP A 36 -3.405 -15.653 -2.752 1.00 0.00 O ATOM 545 CB TRP A 36 -2.020 -18.580 -2.528 1.00 0.00 C ATOM 546 CG TRP A 36 -1.430 -19.749 -1.799 1.00 0.00 C ATOM 547 CD1 TRP A 36 -1.081 -19.804 -0.481 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.116 -21.034 -2.350 1.00 0.00 C ATOM 549 NE1 TRP A 36 -0.575 -21.044 -0.177 1.00 0.00 N ATOM 550 CE2 TRP A 36 -0.585 -21.815 -1.307 1.00 0.00 C ATOM 551 CE3 TRP A 36 -1.233 -21.602 -3.622 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -0.173 -23.129 -1.496 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -0.822 -22.908 -3.809 1.00 0.00 C ATOM 554 CH2 TRP A 36 -0.298 -23.660 -2.749 1.00 0.00 C ATOM 0 H TRP A 36 -3.875 -19.623 -1.264 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.439 -17.177 -0.951 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.535 -18.940 -3.419 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.214 -17.929 -2.867 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.187 -18.990 0.221 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.246 -21.342 0.741 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.637 -21.030 -4.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.232 -23.710 -0.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.906 -23.356 -4.788 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.013 -24.679 -2.926 1.00 0.00 H new ATOM 565 N ARG A 37 -4.879 -17.311 -3.136 1.00 0.00 N ATOM 566 CA ARG A 37 -5.729 -16.518 -4.011 1.00 0.00 C ATOM 567 C ARG A 37 -6.288 -15.299 -3.283 1.00 0.00 C ATOM 568 O ARG A 37 -6.130 -14.166 -3.741 1.00 0.00 O ATOM 569 CB ARG A 37 -6.872 -17.383 -4.549 1.00 0.00 C ATOM 570 CG ARG A 37 -7.800 -16.644 -5.496 1.00 0.00 C ATOM 571 CD ARG A 37 -8.799 -17.585 -6.150 1.00 0.00 C ATOM 572 NE ARG A 37 -9.711 -18.184 -5.178 1.00 0.00 N ATOM 573 CZ ARG A 37 -10.276 -19.377 -5.336 1.00 0.00 C ATOM 574 NH1 ARG A 37 -10.014 -20.099 -6.418 1.00 0.00 N ATOM 575 NH2 ARG A 37 -11.100 -19.850 -4.412 1.00 0.00 N ATOM 0 H ARG A 37 -5.198 -18.270 -2.999 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.123 -16.162 -4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.451 -18.246 -5.066 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.453 -17.766 -3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.335 -15.867 -4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.212 -16.144 -6.266 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.375 -17.039 -6.897 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.262 -18.374 -6.676 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.926 -17.658 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.378 -19.739 -7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.448 -21.014 -6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.302 -19.298 -3.578 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.533 -20.766 -4.535 1.00 0.00 H new ATOM 589 N ILE A 38 -6.943 -15.533 -2.149 1.00 0.00 N ATOM 590 CA ILE A 38 -7.522 -14.447 -1.367 1.00 0.00 C ATOM 591 C ILE A 38 -6.434 -13.543 -0.798 1.00 0.00 C ATOM 592 O ILE A 38 -6.534 -12.318 -0.864 1.00 0.00 O ATOM 593 CB ILE A 38 -8.391 -14.983 -0.214 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.482 -15.907 -0.760 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.004 -13.827 0.566 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.338 -16.542 0.316 1.00 0.00 C ATOM 0 H ILE A 38 -7.085 -16.462 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.153 -13.870 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.761 -15.558 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.123 -15.339 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.016 -16.694 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.616 -14.220 1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.210 -13.205 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.626 -13.228 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.088 -17.183 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.709 -17.139 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.834 -15.762 0.894 1.00 0.00 H new ATOM 608 N ARG A 39 -5.396 -14.158 -0.238 1.00 0.00 N ATOM 609 CA ARG A 39 -4.284 -13.411 0.338 1.00 0.00 C ATOM 610 C ARG A 39 -3.566 -12.602 -0.739 1.00 0.00 C ATOM 611 O ARG A 39 -2.870 -11.631 -0.440 1.00 0.00 O ATOM 612 CB ARG A 39 -3.301 -14.366 1.022 1.00 0.00 C ATOM 613 CG ARG A 39 -2.123 -13.665 1.682 1.00 0.00 C ATOM 614 CD ARG A 39 -1.108 -14.660 2.225 1.00 0.00 C ATOM 615 NE ARG A 39 -1.646 -15.467 3.317 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.016 -16.521 3.831 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.158 -16.899 3.345 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.559 -17.197 4.834 1.00 0.00 N ATOM 0 H ARG A 39 -5.303 -15.172 -0.171 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.682 -12.721 1.083 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.836 -14.945 1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.924 -15.074 0.284 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.638 -13.009 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.484 -13.033 2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.781 -15.317 1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.227 -14.122 2.575 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.553 -15.209 3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.582 -16.382 2.575 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.638 -17.707 3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.461 -16.910 5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.075 -18.004 5.226 1.00 0.00 H new ATOM 632 N GLY A 40 -3.746 -13.007 -1.994 1.00 0.00 N ATOM 633 CA GLY A 40 -3.109 -12.310 -3.096 1.00 0.00 C ATOM 634 C GLY A 40 -3.677 -10.921 -3.314 1.00 0.00 C ATOM 635 O GLY A 40 -2.982 -9.927 -3.109 1.00 0.00 O ATOM 0 H GLY A 40 -4.321 -13.804 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.039 -12.235 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.228 -12.895 -4.008 1.00 0.00 H new ATOM 639 N ALA A 41 -4.943 -10.853 -3.726 1.00 0.00 N ATOM 640 CA ALA A 41 -5.607 -9.575 -3.972 1.00 0.00 C ATOM 641 C ALA A 41 -5.380 -8.606 -2.819 1.00 0.00 C ATOM 642 O ALA A 41 -5.164 -7.413 -3.034 1.00 0.00 O ATOM 643 CB ALA A 41 -7.096 -9.788 -4.197 1.00 0.00 C ATOM 0 H ALA A 41 -5.529 -11.670 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.173 -9.137 -4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.578 -8.827 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.244 -10.437 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.535 -10.252 -3.314 1.00 0.00 H new ATOM 649 N ALA A 42 -5.433 -9.124 -1.595 1.00 0.00 N ATOM 650 CA ALA A 42 -5.221 -8.302 -0.411 1.00 0.00 C ATOM 651 C ALA A 42 -3.876 -7.595 -0.495 1.00 0.00 C ATOM 652 O ALA A 42 -3.790 -6.375 -0.358 1.00 0.00 O ATOM 653 CB ALA A 42 -5.298 -9.152 0.847 1.00 0.00 C ATOM 0 H ALA A 42 -5.621 -10.107 -1.399 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.007 -7.549 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.137 -8.522 1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.281 -9.619 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.531 -9.926 0.811 1.00 0.00 H new ATOM 659 N ALA A 43 -2.828 -8.377 -0.732 1.00 0.00 N ATOM 660 CA ALA A 43 -1.477 -7.845 -0.852 1.00 0.00 C ATOM 661 C ALA A 43 -1.373 -6.907 -2.047 1.00 0.00 C ATOM 662 O ALA A 43 -0.664 -5.902 -2.007 1.00 0.00 O ATOM 663 CB ALA A 43 -0.484 -8.985 -0.999 1.00 0.00 C ATOM 0 H ALA A 43 -2.891 -9.389 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.245 -7.280 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.524 -8.580 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.539 -9.631 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.723 -9.563 -1.892 1.00 0.00 H new ATOM 669 N TRP A 44 -2.090 -7.254 -3.111 1.00 0.00 N ATOM 670 CA TRP A 44 -2.095 -6.466 -4.337 1.00 0.00 C ATOM 671 C TRP A 44 -2.667 -5.071 -4.102 1.00 0.00 C ATOM 672 O TRP A 44 -2.337 -4.125 -4.818 1.00 0.00 O ATOM 673 CB TRP A 44 -2.899 -7.196 -5.416 1.00 0.00 C ATOM 674 CG TRP A 44 -2.082 -8.199 -6.172 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.425 -9.276 -5.652 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.827 -8.217 -7.582 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.770 -9.957 -6.648 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.004 -9.330 -7.843 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.214 -7.402 -8.651 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.560 -9.646 -9.123 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.774 -7.719 -9.923 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.953 -8.832 -10.150 1.00 0.00 C ATOM 0 H TRP A 44 -2.681 -8.085 -3.147 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.064 -6.347 -4.671 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.746 -7.701 -4.952 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.307 -6.466 -6.115 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.421 -9.553 -4.608 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.201 -10.794 -6.519 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.845 -6.541 -8.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.072 -10.503 -9.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.068 -7.098 -10.756 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.624 -9.051 -11.155 1.00 0.00 H new ATOM 693 N ILE A 45 -3.524 -4.950 -3.094 1.00 0.00 N ATOM 694 CA ILE A 45 -4.148 -3.674 -2.763 1.00 0.00 C ATOM 695 C ILE A 45 -3.430 -3.000 -1.596 1.00 0.00 C ATOM 696 O ILE A 45 -3.547 -1.792 -1.396 1.00 0.00 O ATOM 697 CB ILE A 45 -5.642 -3.855 -2.415 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.369 -4.554 -3.568 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.289 -2.510 -2.108 1.00 0.00 C ATOM 700 CD1 ILE A 45 -7.827 -4.848 -3.283 1.00 0.00 C ATOM 0 H ILE A 45 -3.803 -5.723 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.068 -3.038 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.720 -4.478 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.301 -3.930 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.857 -5.489 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.341 -2.659 -1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.783 -2.048 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.206 -1.859 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.274 -5.343 -4.145 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.903 -5.498 -2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.355 -3.915 -3.087 1.00 0.00 H new ATOM 712 N ILE A 46 -2.683 -3.790 -0.833 1.00 0.00 N ATOM 713 CA ILE A 46 -1.949 -3.275 0.317 1.00 0.00 C ATOM 714 C ILE A 46 -1.023 -2.121 -0.078 1.00 0.00 C ATOM 715 O ILE A 46 -0.896 -1.139 0.655 1.00 0.00 O ATOM 716 CB ILE A 46 -1.135 -4.399 1.009 1.00 0.00 C ATOM 717 CG1 ILE A 46 -1.713 -4.699 2.391 1.00 0.00 C ATOM 718 CG2 ILE A 46 0.339 -4.035 1.127 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.986 -5.515 2.354 1.00 0.00 C ATOM 0 H ILE A 46 -2.570 -4.791 -0.990 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.686 -2.893 1.024 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.210 -5.291 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.967 -5.233 2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.910 -3.758 2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.876 -4.847 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.755 -3.873 0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.443 -3.124 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.337 -5.688 3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.749 -4.974 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.791 -6.472 1.870 1.00 0.00 H new ATOM 731 N GLY A 47 -0.383 -2.242 -1.237 1.00 0.00 N ATOM 732 CA GLY A 47 0.527 -1.204 -1.693 1.00 0.00 C ATOM 733 C GLY A 47 -0.190 0.067 -2.097 1.00 0.00 C ATOM 734 O GLY A 47 0.430 1.123 -2.218 1.00 0.00 O ATOM 0 H GLY A 47 -0.477 -3.038 -1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.240 -0.978 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.101 -1.577 -2.541 1.00 0.00 H new ATOM 738 N ASN A 48 -1.495 -0.034 -2.310 1.00 0.00 N ATOM 739 CA ASN A 48 -2.291 1.122 -2.702 1.00 0.00 C ATOM 740 C ASN A 48 -2.290 2.167 -1.594 1.00 0.00 C ATOM 741 O ASN A 48 -2.100 3.358 -1.849 1.00 0.00 O ATOM 742 CB ASN A 48 -3.731 0.711 -3.013 1.00 0.00 C ATOM 743 CG ASN A 48 -3.842 -0.264 -4.178 1.00 0.00 C ATOM 744 OD1 ASN A 48 -4.825 -0.245 -4.918 1.00 0.00 O ATOM 745 ND2 ASN A 48 -2.842 -1.126 -4.347 1.00 0.00 N ATOM 0 H ASN A 48 -2.024 -0.901 -2.218 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.844 1.548 -3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.171 0.257 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.315 1.603 -3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.874 -1.801 -5.111 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.043 -1.111 -3.713 1.00 0.00 H new ATOM 752 N PHE A 49 -2.503 1.713 -0.360 1.00 0.00 N ATOM 753 CA PHE A 49 -2.525 2.606 0.788 1.00 0.00 C ATOM 754 C PHE A 49 -1.115 2.835 1.318 1.00 0.00 C ATOM 755 O PHE A 49 -0.482 1.921 1.847 1.00 0.00 O ATOM 756 CB PHE A 49 -3.412 2.027 1.892 1.00 0.00 C ATOM 757 CG PHE A 49 -4.830 1.776 1.459 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.730 2.824 1.336 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.262 0.491 1.172 1.00 0.00 C ATOM 760 CE1 PHE A 49 -7.032 2.594 0.936 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.562 0.255 0.773 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.449 1.307 0.653 1.00 0.00 C ATOM 0 H PHE A 49 -2.662 0.731 -0.134 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.936 3.564 0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.977 1.091 2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.416 2.713 2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.409 3.832 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.573 -0.336 1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.723 3.419 0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.886 -0.752 0.555 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.466 1.124 0.339 1.00 0.00 H new ATOM 772 N GLN A 50 -0.630 4.061 1.160 1.00 0.00 N ATOM 773 CA GLN A 50 0.706 4.436 1.625 1.00 0.00 C ATOM 774 C GLN A 50 0.743 4.593 3.141 1.00 0.00 C ATOM 775 O GLN A 50 1.464 5.439 3.673 1.00 0.00 O ATOM 776 CB GLN A 50 1.154 5.738 0.959 1.00 0.00 C ATOM 777 CG GLN A 50 1.624 5.541 -0.468 1.00 0.00 C ATOM 778 CD GLN A 50 0.587 5.945 -1.502 1.00 0.00 C ATOM 779 OE1 GLN A 50 0.930 6.333 -2.619 1.00 0.00 O ATOM 780 NE2 GLN A 50 -0.687 5.863 -1.136 1.00 0.00 N ATOM 0 H GLN A 50 -1.144 4.819 0.711 1.00 0.00 H new ATOM 0 HA GLN A 50 1.390 3.634 1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.327 6.448 0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.961 6.180 1.544 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.532 6.122 -0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.886 4.493 -0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.929 5.536 -0.201 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.424 6.127 -1.790 1.00 0.00 H new ATOM 789 N ASP A 51 -0.026 3.764 3.830 1.00 0.00 N ATOM 790 CA ASP A 51 -0.093 3.806 5.284 1.00 0.00 C ATOM 791 C ASP A 51 0.767 2.703 5.900 1.00 0.00 C ATOM 792 O ASP A 51 1.026 1.679 5.268 1.00 0.00 O ATOM 793 CB ASP A 51 -1.544 3.664 5.742 1.00 0.00 C ATOM 794 CG ASP A 51 -1.700 3.851 7.238 1.00 0.00 C ATOM 795 OD1 ASP A 51 -1.481 4.983 7.720 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.039 2.869 7.927 1.00 0.00 O ATOM 0 H ASP A 51 -0.616 3.050 3.403 1.00 0.00 H new ATOM 0 HA ASP A 51 0.295 4.767 5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.160 4.397 5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.916 2.679 5.461 1.00 0.00 H new ATOM 801 N GLU A 52 1.202 2.921 7.138 1.00 0.00 N ATOM 802 CA GLU A 52 2.041 1.955 7.842 1.00 0.00 C ATOM 803 C GLU A 52 1.309 0.632 8.063 1.00 0.00 C ATOM 804 O GLU A 52 1.936 -0.412 8.233 1.00 0.00 O ATOM 805 CB GLU A 52 2.493 2.528 9.187 1.00 0.00 C ATOM 806 CG GLU A 52 1.340 2.891 10.109 1.00 0.00 C ATOM 807 CD GLU A 52 1.802 3.560 11.389 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.043 4.785 11.364 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.921 2.859 12.416 1.00 0.00 O ATOM 0 H GLU A 52 0.987 3.760 7.676 1.00 0.00 H new ATOM 0 HA GLU A 52 2.914 1.759 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.132 1.800 9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.099 3.416 9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.655 3.556 9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.781 1.989 10.357 1.00 0.00 H new ATOM 816 N ARG A 53 -0.019 0.685 8.062 1.00 0.00 N ATOM 817 CA ARG A 53 -0.835 -0.510 8.266 1.00 0.00 C ATOM 818 C ARG A 53 -0.512 -1.573 7.218 1.00 0.00 C ATOM 819 O ARG A 53 -0.413 -2.760 7.532 1.00 0.00 O ATOM 820 CB ARG A 53 -2.324 -0.144 8.189 1.00 0.00 C ATOM 821 CG ARG A 53 -3.250 -1.064 8.977 1.00 0.00 C ATOM 822 CD ARG A 53 -3.247 -2.485 8.438 1.00 0.00 C ATOM 823 NE ARG A 53 -3.522 -2.533 7.006 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.103 -3.512 6.209 1.00 0.00 C ATOM 825 NH1 ARG A 53 -2.381 -4.510 6.703 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.404 -3.495 4.919 1.00 0.00 N ATOM 0 H ARG A 53 -0.554 1.542 7.922 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.610 -0.916 9.252 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.452 0.876 8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.632 -0.151 7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.944 -1.074 10.023 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.265 -0.668 8.945 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.279 -2.944 8.636 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.994 -3.075 8.969 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.065 -1.775 6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.146 -4.527 7.696 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.061 -5.260 6.090 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.958 -2.730 4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.081 -4.247 4.310 1.00 0.00 H new ATOM 840 N ALA A 54 -0.332 -1.136 5.976 1.00 0.00 N ATOM 841 CA ALA A 54 -0.052 -2.051 4.876 1.00 0.00 C ATOM 842 C ALA A 54 1.440 -2.156 4.558 1.00 0.00 C ATOM 843 O ALA A 54 1.813 -2.500 3.437 1.00 0.00 O ATOM 844 CB ALA A 54 -0.816 -1.611 3.639 1.00 0.00 C ATOM 0 H ALA A 54 -0.375 -0.153 5.706 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.380 -3.042 5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.605 -2.296 2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.885 -1.616 3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.507 -0.604 3.359 1.00 0.00 H new ATOM 850 N VAL A 55 2.294 -1.868 5.536 1.00 0.00 N ATOM 851 CA VAL A 55 3.735 -1.950 5.319 1.00 0.00 C ATOM 852 C VAL A 55 4.267 -3.333 5.685 1.00 0.00 C ATOM 853 O VAL A 55 5.156 -3.865 5.021 1.00 0.00 O ATOM 854 CB VAL A 55 4.501 -0.875 6.120 1.00 0.00 C ATOM 855 CG1 VAL A 55 4.701 -1.293 7.570 1.00 0.00 C ATOM 856 CG2 VAL A 55 5.838 -0.573 5.459 1.00 0.00 C ATOM 0 H VAL A 55 2.018 -1.579 6.475 1.00 0.00 H new ATOM 0 HA VAL A 55 3.902 -1.770 4.257 1.00 0.00 H new ATOM 0 HB VAL A 55 3.897 0.032 6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.244 -0.512 8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.730 -1.446 8.042 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.272 -2.221 7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.366 0.187 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.439 -1.482 5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.669 -0.207 4.446 1.00 0.00 H new ATOM 866 N GLU A 56 3.713 -3.906 6.748 1.00 0.00 N ATOM 867 CA GLU A 56 4.131 -5.224 7.214 1.00 0.00 C ATOM 868 C GLU A 56 3.913 -6.304 6.150 1.00 0.00 C ATOM 869 O GLU A 56 4.832 -7.067 5.852 1.00 0.00 O ATOM 870 CB GLU A 56 3.406 -5.599 8.508 1.00 0.00 C ATOM 871 CG GLU A 56 3.736 -6.999 8.992 1.00 0.00 C ATOM 872 CD GLU A 56 3.416 -7.198 10.461 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.233 -7.431 10.785 1.00 0.00 O ATOM 874 OE2 GLU A 56 4.349 -7.118 11.288 1.00 0.00 O ATOM 0 H GLU A 56 2.973 -3.478 7.304 1.00 0.00 H new ATOM 0 HA GLU A 56 5.201 -5.168 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.668 -4.881 9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.330 -5.520 8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.178 -7.725 8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.795 -7.197 8.824 1.00 0.00 H new ATOM 881 N PRO A 57 2.696 -6.396 5.567 1.00 0.00 N ATOM 882 CA PRO A 57 2.390 -7.398 4.542 1.00 0.00 C ATOM 883 C PRO A 57 3.506 -7.555 3.521 1.00 0.00 C ATOM 884 O PRO A 57 3.982 -8.660 3.274 1.00 0.00 O ATOM 885 CB PRO A 57 1.140 -6.835 3.877 1.00 0.00 C ATOM 886 CG PRO A 57 0.445 -6.096 4.966 1.00 0.00 C ATOM 887 CD PRO A 57 1.527 -5.535 5.851 1.00 0.00 C ATOM 0 HA PRO A 57 2.262 -8.392 4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.394 -6.175 3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.513 -7.629 3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.178 -5.299 4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.213 -6.759 5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.733 -4.490 5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.245 -5.577 6.903 1.00 0.00 H new ATOM 895 N LEU A 58 3.926 -6.439 2.942 1.00 0.00 N ATOM 896 CA LEU A 58 4.980 -6.448 1.937 1.00 0.00 C ATOM 897 C LEU A 58 6.257 -7.088 2.469 1.00 0.00 C ATOM 898 O LEU A 58 6.912 -7.855 1.769 1.00 0.00 O ATOM 899 CB LEU A 58 5.271 -5.021 1.470 1.00 0.00 C ATOM 900 CG LEU A 58 4.050 -4.235 0.987 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.466 -2.870 0.462 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.305 -5.014 -0.083 1.00 0.00 C ATOM 0 H LEU A 58 3.552 -5.513 3.152 1.00 0.00 H new ATOM 0 HA LEU A 58 4.630 -7.044 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.735 -4.474 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.001 -5.061 0.662 1.00 0.00 H new ATOM 0 HG LEU A 58 3.380 -4.086 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.584 -2.326 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.956 -2.308 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.157 -2.996 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.440 -4.440 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.967 -5.194 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.972 -5.968 0.327 1.00 0.00 H new ATOM 914 N ILE A 59 6.599 -6.779 3.714 1.00 0.00 N ATOM 915 CA ILE A 59 7.811 -7.310 4.327 1.00 0.00 C ATOM 916 C ILE A 59 7.882 -8.837 4.236 1.00 0.00 C ATOM 917 O ILE A 59 8.813 -9.384 3.645 1.00 0.00 O ATOM 918 CB ILE A 59 7.921 -6.873 5.804 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.097 -5.350 5.894 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.074 -7.590 6.497 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.445 -4.855 5.407 1.00 0.00 C ATOM 0 H ILE A 59 6.055 -6.164 4.319 1.00 0.00 H new ATOM 0 HA ILE A 59 8.650 -6.898 3.766 1.00 0.00 H new ATOM 0 HB ILE A 59 6.998 -7.148 6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.312 -4.869 5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.960 -5.039 6.930 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.132 -7.266 7.536 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.907 -8.667 6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.009 -7.351 5.990 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.491 -3.770 5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.236 -5.306 6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.578 -5.133 4.361 1.00 0.00 H new ATOM 933 N LYS A 60 6.902 -9.518 4.819 1.00 0.00 N ATOM 934 CA LYS A 60 6.878 -10.981 4.808 1.00 0.00 C ATOM 935 C LYS A 60 6.547 -11.545 3.425 1.00 0.00 C ATOM 936 O LYS A 60 7.003 -12.628 3.062 1.00 0.00 O ATOM 937 CB LYS A 60 5.863 -11.503 5.825 1.00 0.00 C ATOM 938 CG LYS A 60 5.847 -13.019 5.929 1.00 0.00 C ATOM 939 CD LYS A 60 4.556 -13.531 6.545 1.00 0.00 C ATOM 940 CE LYS A 60 4.450 -13.167 8.019 1.00 0.00 C ATOM 941 NZ LYS A 60 5.558 -13.756 8.819 1.00 0.00 N ATOM 0 H LYS A 60 6.116 -9.085 5.304 1.00 0.00 H new ATOM 0 HA LYS A 60 7.880 -11.317 5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.089 -11.080 6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.868 -11.153 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.973 -13.452 4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.693 -13.351 6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.706 -13.114 6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.504 -14.614 6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.462 -12.082 8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.495 -13.516 8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.306 -13.736 9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.717 -14.740 8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.426 -13.204 8.668 1.00 0.00 H new ATOM 955 N LEU A 61 5.751 -10.807 2.664 1.00 0.00 N ATOM 956 CA LEU A 61 5.317 -11.244 1.337 1.00 0.00 C ATOM 957 C LEU A 61 6.457 -11.339 0.327 1.00 0.00 C ATOM 958 O LEU A 61 6.547 -12.312 -0.422 1.00 0.00 O ATOM 959 CB LEU A 61 4.245 -10.293 0.814 1.00 0.00 C ATOM 960 CG LEU A 61 2.800 -10.672 1.153 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.696 -11.320 2.530 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.911 -9.444 1.085 1.00 0.00 C ATOM 0 H LEU A 61 5.388 -9.895 2.943 1.00 0.00 H new ATOM 0 HA LEU A 61 4.917 -12.252 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.443 -9.297 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.340 -10.228 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 61 2.465 -11.403 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.656 -11.575 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.303 -12.225 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.055 -10.624 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.886 -9.723 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.263 -8.700 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.945 -9.026 0.079 1.00 0.00 H new ATOM 974 N LEU A 62 7.327 -10.338 0.308 1.00 0.00 N ATOM 975 CA LEU A 62 8.441 -10.311 -0.629 1.00 0.00 C ATOM 976 C LEU A 62 9.376 -11.484 -0.381 1.00 0.00 C ATOM 977 O LEU A 62 10.289 -11.743 -1.165 1.00 0.00 O ATOM 978 CB LEU A 62 9.197 -8.990 -0.500 1.00 0.00 C ATOM 979 CG LEU A 62 8.355 -7.740 -0.768 1.00 0.00 C ATOM 980 CD1 LEU A 62 8.934 -6.536 -0.041 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.271 -7.468 -2.261 1.00 0.00 C ATOM 0 H LEU A 62 7.282 -9.533 0.932 1.00 0.00 H new ATOM 0 HA LEU A 62 8.049 -10.396 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.613 -8.922 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.038 -9.000 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 62 7.348 -7.917 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.321 -5.658 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.945 -6.730 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.952 -6.356 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.669 -6.576 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.274 -7.313 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.810 -8.320 -2.761 1.00 0.00 H new ATOM 993 N GLU A 63 9.139 -12.193 0.716 1.00 0.00 N ATOM 994 CA GLU A 63 9.963 -13.333 1.075 1.00 0.00 C ATOM 995 C GLU A 63 9.112 -14.576 1.320 1.00 0.00 C ATOM 996 O GLU A 63 9.642 -15.667 1.530 1.00 0.00 O ATOM 997 CB GLU A 63 10.787 -13.002 2.317 1.00 0.00 C ATOM 998 CG GLU A 63 9.955 -12.537 3.500 1.00 0.00 C ATOM 999 CD GLU A 63 10.797 -12.271 4.733 1.00 0.00 C ATOM 1000 OE1 GLU A 63 11.009 -13.215 5.523 1.00 0.00 O ATOM 1001 OE2 GLU A 63 11.245 -11.118 4.909 1.00 0.00 O ATOM 0 H GLU A 63 8.382 -11.996 1.370 1.00 0.00 H new ATOM 0 HA GLU A 63 10.633 -13.548 0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.356 -13.884 2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.510 -12.226 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.418 -11.628 3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.205 -13.293 3.732 1.00 0.00 H new ATOM 1008 N ASP A 64 7.794 -14.404 1.299 1.00 0.00 N ATOM 1009 CA ASP A 64 6.875 -15.518 1.520 1.00 0.00 C ATOM 1010 C ASP A 64 7.058 -16.586 0.455 1.00 0.00 C ATOM 1011 O ASP A 64 6.893 -17.779 0.711 1.00 0.00 O ATOM 1012 CB ASP A 64 5.429 -15.023 1.539 1.00 0.00 C ATOM 1013 CG ASP A 64 4.522 -15.930 2.348 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.641 -15.931 3.591 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.695 -16.639 1.740 1.00 0.00 O ATOM 0 H ASP A 64 7.338 -13.507 1.132 1.00 0.00 H new ATOM 0 HA ASP A 64 7.102 -15.961 2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.397 -14.016 1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.056 -14.958 0.517 1.00 0.00 H new ATOM 1020 N ASP A 65 7.399 -16.135 -0.740 1.00 0.00 N ATOM 1021 CA ASP A 65 7.623 -17.022 -1.880 1.00 0.00 C ATOM 1022 C ASP A 65 6.381 -17.851 -2.189 1.00 0.00 C ATOM 1023 O ASP A 65 6.474 -18.934 -2.766 1.00 0.00 O ATOM 1024 CB ASP A 65 8.814 -17.945 -1.613 1.00 0.00 C ATOM 1025 CG ASP A 65 10.117 -17.184 -1.470 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.585 -16.615 -2.478 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.668 -17.156 -0.350 1.00 0.00 O ATOM 0 H ASP A 65 7.529 -15.146 -0.952 1.00 0.00 H new ATOM 0 HA ASP A 65 7.842 -16.399 -2.747 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.629 -18.517 -0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.904 -18.663 -2.429 1.00 0.00 H new ATOM 1032 N SER A 66 5.217 -17.328 -1.815 1.00 0.00 N ATOM 1033 CA SER A 66 3.957 -18.025 -2.048 1.00 0.00 C ATOM 1034 C SER A 66 3.401 -17.732 -3.439 1.00 0.00 C ATOM 1035 O SER A 66 2.292 -18.153 -3.773 1.00 0.00 O ATOM 1036 CB SER A 66 2.936 -17.625 -0.987 1.00 0.00 C ATOM 1037 OG SER A 66 2.948 -18.529 0.103 1.00 0.00 O ATOM 0 H SER A 66 5.120 -16.425 -1.350 1.00 0.00 H new ATOM 0 HA SER A 66 4.152 -19.096 -1.983 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.154 -16.618 -0.630 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.940 -17.598 -1.429 1.00 0.00 H new ATOM 0 HG SER A 66 3.248 -18.063 0.911 1.00 0.00 H new ATOM 1043 N GLY A 67 4.172 -17.010 -4.247 1.00 0.00 N ATOM 1044 CA GLY A 67 3.731 -16.679 -5.593 1.00 0.00 C ATOM 1045 C GLY A 67 2.839 -15.451 -5.625 1.00 0.00 C ATOM 1046 O GLY A 67 3.324 -14.329 -5.517 1.00 0.00 O ATOM 0 H GLY A 67 5.092 -16.648 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.602 -16.509 -6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.192 -17.527 -6.014 1.00 0.00 H new ATOM 1050 N PHE A 68 1.534 -15.665 -5.783 1.00 0.00 N ATOM 1051 CA PHE A 68 0.574 -14.561 -5.822 1.00 0.00 C ATOM 1052 C PHE A 68 0.789 -13.637 -4.630 1.00 0.00 C ATOM 1053 O PHE A 68 0.710 -12.414 -4.749 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.856 -15.107 -5.796 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.857 -14.281 -6.562 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.964 -12.907 -6.370 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.708 -14.891 -7.470 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.898 -12.169 -7.073 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.640 -14.156 -8.175 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.736 -12.793 -7.976 1.00 0.00 C ATOM 0 H PHE A 68 1.117 -16.590 -5.886 1.00 0.00 H new ATOM 0 HA PHE A 68 0.727 -13.999 -6.743 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.852 -16.118 -6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.184 -15.182 -4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.312 -12.413 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.641 -15.957 -7.628 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.972 -11.103 -6.916 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.293 -14.647 -8.881 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.465 -12.216 -8.526 1.00 0.00 H new ATOM 1070 N VAL A 69 1.065 -14.242 -3.482 1.00 0.00 N ATOM 1071 CA VAL A 69 1.296 -13.502 -2.249 1.00 0.00 C ATOM 1072 C VAL A 69 2.594 -12.698 -2.312 1.00 0.00 C ATOM 1073 O VAL A 69 2.659 -11.573 -1.817 1.00 0.00 O ATOM 1074 CB VAL A 69 1.347 -14.458 -1.044 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.477 -13.685 0.258 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.117 -15.352 -1.024 1.00 0.00 C ATOM 0 H VAL A 69 1.135 -15.254 -3.380 1.00 0.00 H new ATOM 0 HA VAL A 69 0.464 -12.809 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 69 2.229 -15.090 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.511 -14.384 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.393 -13.095 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.620 -13.021 0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.168 -16.022 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.779 -14.736 -0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.079 -15.939 -1.941 1.00 0.00 H new ATOM 1086 N ARG A 70 3.621 -13.278 -2.926 1.00 0.00 N ATOM 1087 CA ARG A 70 4.916 -12.610 -3.042 1.00 0.00 C ATOM 1088 C ARG A 70 4.889 -11.532 -4.123 1.00 0.00 C ATOM 1089 O ARG A 70 5.155 -10.362 -3.848 1.00 0.00 O ATOM 1090 CB ARG A 70 6.015 -13.630 -3.345 1.00 0.00 C ATOM 1091 CG ARG A 70 7.408 -13.024 -3.393 1.00 0.00 C ATOM 1092 CD ARG A 70 8.469 -14.079 -3.660 1.00 0.00 C ATOM 1093 NE ARG A 70 8.091 -14.971 -4.753 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.955 -15.730 -5.419 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.246 -15.694 -5.120 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.525 -16.525 -6.389 1.00 0.00 N ATOM 0 H ARG A 70 3.584 -14.205 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 70 5.130 -12.128 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.993 -14.412 -2.586 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.802 -14.108 -4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.447 -12.263 -4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.621 -12.524 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.413 -13.591 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.634 -14.664 -2.755 1.00 0.00 H new ATOM 0 HE ARG A 70 7.108 -15.014 -5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.580 -15.082 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.905 -16.279 -5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.533 -16.553 -6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.187 -17.108 -6.901 1.00 0.00 H new ATOM 1110 N SER A 71 4.581 -11.937 -5.353 1.00 0.00 N ATOM 1111 CA SER A 71 4.515 -11.010 -6.480 1.00 0.00 C ATOM 1112 C SER A 71 3.643 -9.804 -6.155 1.00 0.00 C ATOM 1113 O SER A 71 3.869 -8.708 -6.668 1.00 0.00 O ATOM 1114 CB SER A 71 3.973 -11.721 -7.721 1.00 0.00 C ATOM 1115 OG SER A 71 2.705 -12.300 -7.464 1.00 0.00 O ATOM 0 H SER A 71 4.372 -12.906 -5.595 1.00 0.00 H new ATOM 0 HA SER A 71 5.527 -10.657 -6.679 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.892 -11.011 -8.544 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.673 -12.495 -8.035 1.00 0.00 H new ATOM 0 HG SER A 71 2.803 -13.028 -6.815 1.00 0.00 H new ATOM 1121 N GLY A 72 2.648 -10.014 -5.302 1.00 0.00 N ATOM 1122 CA GLY A 72 1.758 -8.934 -4.924 1.00 0.00 C ATOM 1123 C GLY A 72 2.474 -7.818 -4.196 1.00 0.00 C ATOM 1124 O GLY A 72 2.155 -6.644 -4.383 1.00 0.00 O ATOM 0 H GLY A 72 2.442 -10.913 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.280 -8.532 -5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.965 -9.327 -4.288 1.00 0.00 H new ATOM 1128 N ALA A 73 3.443 -8.182 -3.365 1.00 0.00 N ATOM 1129 CA ALA A 73 4.202 -7.203 -2.601 1.00 0.00 C ATOM 1130 C ALA A 73 5.240 -6.502 -3.467 1.00 0.00 C ATOM 1131 O ALA A 73 5.491 -5.308 -3.302 1.00 0.00 O ATOM 1132 CB ALA A 73 4.873 -7.866 -1.412 1.00 0.00 C ATOM 0 H ALA A 73 3.721 -9.150 -3.204 1.00 0.00 H new ATOM 0 HA ALA A 73 3.502 -6.449 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.437 -7.121 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.115 -8.309 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.550 -8.644 -1.764 1.00 0.00 H new ATOM 1138 N ALA A 74 5.845 -7.249 -4.386 1.00 0.00 N ATOM 1139 CA ALA A 74 6.858 -6.688 -5.270 1.00 0.00 C ATOM 1140 C ALA A 74 6.316 -5.472 -6.011 1.00 0.00 C ATOM 1141 O ALA A 74 6.948 -4.416 -6.038 1.00 0.00 O ATOM 1142 CB ALA A 74 7.340 -7.739 -6.256 1.00 0.00 C ATOM 0 H ALA A 74 5.652 -8.239 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 74 7.703 -6.367 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.097 -7.305 -6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.770 -8.579 -5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.499 -8.088 -6.856 1.00 0.00 H new ATOM 1148 N ARG A 75 5.140 -5.629 -6.608 1.00 0.00 N ATOM 1149 CA ARG A 75 4.506 -4.542 -7.347 1.00 0.00 C ATOM 1150 C ARG A 75 3.941 -3.484 -6.401 1.00 0.00 C ATOM 1151 O ARG A 75 3.944 -2.295 -6.717 1.00 0.00 O ATOM 1152 CB ARG A 75 3.385 -5.084 -8.238 1.00 0.00 C ATOM 1153 CG ARG A 75 2.361 -5.920 -7.486 1.00 0.00 C ATOM 1154 CD ARG A 75 1.168 -6.268 -8.364 1.00 0.00 C ATOM 1155 NE ARG A 75 1.579 -6.734 -9.687 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.099 -6.242 -10.827 1.00 0.00 C ATOM 1157 NH1 ARG A 75 0.186 -5.281 -10.807 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.533 -6.713 -11.988 1.00 0.00 N ATOM 0 H ARG A 75 4.606 -6.498 -6.595 1.00 0.00 H new ATOM 0 HA ARG A 75 5.270 -4.077 -7.970 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.877 -4.248 -8.718 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.823 -5.689 -9.032 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.830 -6.837 -7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.019 -5.374 -6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.572 -7.040 -7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.529 -5.392 -8.471 1.00 0.00 H new ATOM 0 HE ARG A 75 2.274 -7.479 -9.740 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.151 -4.916 -9.916 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.179 -4.906 -11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.235 -7.453 -12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.165 -6.336 -12.861 1.00 0.00 H new ATOM 1172 N SER A 76 3.464 -3.925 -5.240 1.00 0.00 N ATOM 1173 CA SER A 76 2.879 -3.019 -4.254 1.00 0.00 C ATOM 1174 C SER A 76 3.847 -1.910 -3.850 1.00 0.00 C ATOM 1175 O SER A 76 3.441 -0.762 -3.675 1.00 0.00 O ATOM 1176 CB SER A 76 2.436 -3.795 -3.016 1.00 0.00 C ATOM 1177 OG SER A 76 1.239 -4.511 -3.263 1.00 0.00 O ATOM 0 H SER A 76 3.471 -4.905 -4.958 1.00 0.00 H new ATOM 0 HA SER A 76 2.012 -2.551 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.222 -4.488 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.286 -3.105 -2.185 1.00 0.00 H new ATOM 0 HG SER A 76 1.448 -5.457 -3.409 1.00 0.00 H new ATOM 1183 N LEU A 77 5.122 -2.253 -3.693 1.00 0.00 N ATOM 1184 CA LEU A 77 6.129 -1.264 -3.312 1.00 0.00 C ATOM 1185 C LEU A 77 6.130 -0.099 -4.291 1.00 0.00 C ATOM 1186 O LEU A 77 5.916 1.049 -3.903 1.00 0.00 O ATOM 1187 CB LEU A 77 7.516 -1.899 -3.278 1.00 0.00 C ATOM 1188 CG LEU A 77 7.695 -3.030 -2.269 1.00 0.00 C ATOM 1189 CD1 LEU A 77 9.046 -3.690 -2.467 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.564 -2.506 -0.847 1.00 0.00 C ATOM 0 H LEU A 77 5.482 -3.199 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 77 5.880 -0.895 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.746 -2.282 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.248 -1.121 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 77 6.912 -3.771 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.167 -4.496 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.108 -4.096 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.836 -2.953 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.695 -3.328 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.327 -1.749 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.576 -2.066 -0.711 1.00 0.00 H new ATOM 1202 N GLU A 78 6.384 -0.405 -5.560 1.00 0.00 N ATOM 1203 CA GLU A 78 6.397 0.608 -6.609 1.00 0.00 C ATOM 1204 C GLU A 78 5.145 1.478 -6.538 1.00 0.00 C ATOM 1205 O GLU A 78 5.177 2.654 -6.901 1.00 0.00 O ATOM 1206 CB GLU A 78 6.501 -0.058 -7.985 1.00 0.00 C ATOM 1207 CG GLU A 78 6.690 0.923 -9.134 1.00 0.00 C ATOM 1208 CD GLU A 78 5.378 1.456 -9.681 1.00 0.00 C ATOM 1209 OE1 GLU A 78 4.616 0.663 -10.272 1.00 0.00 O ATOM 1210 OE2 GLU A 78 5.116 2.667 -9.518 1.00 0.00 O ATOM 0 H GLU A 78 6.584 -1.350 -5.887 1.00 0.00 H new ATOM 0 HA GLU A 78 7.267 1.247 -6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.337 -0.758 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.598 -0.642 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.302 1.759 -8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.239 0.432 -9.937 1.00 0.00 H new ATOM 1217 N GLN A 79 4.042 0.899 -6.064 1.00 0.00 N ATOM 1218 CA GLN A 79 2.790 1.639 -5.945 1.00 0.00 C ATOM 1219 C GLN A 79 2.906 2.701 -4.858 1.00 0.00 C ATOM 1220 O GLN A 79 2.439 3.829 -5.022 1.00 0.00 O ATOM 1221 CB GLN A 79 1.618 0.703 -5.626 1.00 0.00 C ATOM 1222 CG GLN A 79 1.453 -0.440 -6.614 1.00 0.00 C ATOM 1223 CD GLN A 79 0.035 -0.984 -6.647 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -0.795 -0.531 -7.436 1.00 0.00 O ATOM 1225 NE2 GLN A 79 -0.254 -1.958 -5.788 1.00 0.00 N ATOM 0 H GLN A 79 3.991 -0.073 -5.759 1.00 0.00 H new ATOM 0 HA GLN A 79 2.596 2.119 -6.904 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.758 0.289 -4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.697 1.286 -5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.730 -0.096 -7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.141 -1.244 -6.352 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.463 -2.305 -5.151 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.192 -2.357 -5.767 1.00 0.00 H new ATOM 1234 N ILE A 80 3.533 2.330 -3.746 1.00 0.00 N ATOM 1235 CA ILE A 80 3.718 3.243 -2.626 1.00 0.00 C ATOM 1236 C ILE A 80 4.705 4.352 -2.978 1.00 0.00 C ATOM 1237 O ILE A 80 4.349 5.530 -2.982 1.00 0.00 O ATOM 1238 CB ILE A 80 4.222 2.489 -1.379 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.250 1.366 -1.012 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.396 3.448 -0.211 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.742 0.481 0.112 1.00 0.00 C ATOM 0 H ILE A 80 3.923 1.399 -3.597 1.00 0.00 H new ATOM 0 HA ILE A 80 2.748 3.689 -2.407 1.00 0.00 H new ATOM 0 HB ILE A 80 5.192 2.048 -1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.294 1.804 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.068 0.752 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.752 2.899 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.121 4.217 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.439 3.916 0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.001 -0.292 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.683 0.014 -0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.896 1.083 1.008 1.00 0.00 H new ATOM 1253 N GLY A 81 5.941 3.964 -3.282 1.00 0.00 N ATOM 1254 CA GLY A 81 6.966 4.931 -3.643 1.00 0.00 C ATOM 1255 C GLY A 81 7.225 5.960 -2.557 1.00 0.00 C ATOM 1256 O GLY A 81 6.380 6.811 -2.281 1.00 0.00 O ATOM 0 H GLY A 81 6.253 2.993 -3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.894 4.403 -3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.667 5.444 -4.557 1.00 0.00 H new ATOM 1260 N GLY A 82 8.403 5.887 -1.945 1.00 0.00 N ATOM 1261 CA GLY A 82 8.751 6.826 -0.895 1.00 0.00 C ATOM 1262 C GLY A 82 9.961 6.384 -0.096 1.00 0.00 C ATOM 1263 O GLY A 82 10.475 5.283 -0.295 1.00 0.00 O ATOM 0 H GLY A 82 9.122 5.195 -2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.949 7.803 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.901 6.946 -0.224 1.00 0.00 H new ATOM 1267 N GLU A 83 10.417 7.245 0.808 1.00 0.00 N ATOM 1268 CA GLU A 83 11.575 6.937 1.640 1.00 0.00 C ATOM 1269 C GLU A 83 11.264 5.778 2.583 1.00 0.00 C ATOM 1270 O GLU A 83 12.169 5.091 3.059 1.00 0.00 O ATOM 1271 CB GLU A 83 12.002 8.171 2.442 1.00 0.00 C ATOM 1272 CG GLU A 83 11.054 8.528 3.579 1.00 0.00 C ATOM 1273 CD GLU A 83 9.658 8.868 3.096 1.00 0.00 C ATOM 1274 OE1 GLU A 83 9.464 9.989 2.580 1.00 0.00 O ATOM 1275 OE2 GLU A 83 8.758 8.013 3.232 1.00 0.00 O ATOM 0 H GLU A 83 10.003 8.161 0.983 1.00 0.00 H new ATOM 0 HA GLU A 83 12.397 6.643 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.997 7.999 2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.079 9.022 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.999 7.692 4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.459 9.376 4.131 1.00 0.00 H new ATOM 1282 N ARG A 84 9.977 5.569 2.842 1.00 0.00 N ATOM 1283 CA ARG A 84 9.531 4.499 3.724 1.00 0.00 C ATOM 1284 C ARG A 84 9.622 3.150 3.020 1.00 0.00 C ATOM 1285 O ARG A 84 9.901 2.129 3.648 1.00 0.00 O ATOM 1286 CB ARG A 84 8.095 4.762 4.196 1.00 0.00 C ATOM 1287 CG ARG A 84 7.100 4.972 3.064 1.00 0.00 C ATOM 1288 CD ARG A 84 6.521 3.657 2.578 1.00 0.00 C ATOM 1289 NE ARG A 84 5.894 2.904 3.661 1.00 0.00 N ATOM 1290 CZ ARG A 84 4.579 2.755 3.794 1.00 0.00 C ATOM 1291 NH1 ARG A 84 3.753 3.309 2.918 1.00 0.00 N ATOM 1292 NH2 ARG A 84 4.091 2.053 4.808 1.00 0.00 N ATOM 0 H ARG A 84 9.221 6.131 2.450 1.00 0.00 H new ATOM 0 HA ARG A 84 10.185 4.475 4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.764 3.921 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.090 5.643 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.293 5.622 3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.593 5.482 2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.785 3.851 1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.312 3.056 2.129 1.00 0.00 H new ATOM 0 HE ARG A 84 6.500 2.467 4.356 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.125 3.852 2.139 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.745 3.193 3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.724 1.628 5.485 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.083 1.938 4.910 1.00 0.00 H new ATOM 1306 N VAL A 85 9.385 3.154 1.711 1.00 0.00 N ATOM 1307 CA VAL A 85 9.452 1.932 0.922 1.00 0.00 C ATOM 1308 C VAL A 85 10.889 1.452 0.841 1.00 0.00 C ATOM 1309 O VAL A 85 11.161 0.253 0.783 1.00 0.00 O ATOM 1310 CB VAL A 85 8.919 2.142 -0.506 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.612 0.805 -1.164 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.691 3.037 -0.502 1.00 0.00 C ATOM 0 H VAL A 85 9.145 3.989 1.177 1.00 0.00 H new ATOM 0 HA VAL A 85 8.827 1.189 1.417 1.00 0.00 H new ATOM 0 HB VAL A 85 9.694 2.640 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.236 0.974 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.521 0.205 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.859 0.277 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.334 3.170 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.907 2.577 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.950 4.008 -0.079 1.00 0.00 H new ATOM 1322 N ARG A 86 11.803 2.414 0.836 1.00 0.00 N ATOM 1323 CA ARG A 86 13.228 2.131 0.769 1.00 0.00 C ATOM 1324 C ARG A 86 13.634 1.136 1.853 1.00 0.00 C ATOM 1325 O ARG A 86 14.610 0.403 1.701 1.00 0.00 O ATOM 1326 CB ARG A 86 14.015 3.430 0.923 1.00 0.00 C ATOM 1327 CG ARG A 86 15.274 3.486 0.072 1.00 0.00 C ATOM 1328 CD ARG A 86 15.971 4.831 0.196 1.00 0.00 C ATOM 1329 NE ARG A 86 17.160 4.910 -0.649 1.00 0.00 N ATOM 1330 CZ ARG A 86 18.361 5.270 -0.204 1.00 0.00 C ATOM 1331 NH1 ARG A 86 18.536 5.579 1.074 1.00 0.00 N ATOM 1332 NH2 ARG A 86 19.391 5.321 -1.040 1.00 0.00 N ATOM 0 H ARG A 86 11.577 3.408 0.878 1.00 0.00 H new ATOM 0 HA ARG A 86 13.452 1.686 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.371 4.268 0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.289 3.557 1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.956 2.692 0.377 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.018 3.303 -0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.277 5.626 -0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.253 4.999 1.235 1.00 0.00 H new ATOM 0 HE ARG A 86 17.064 4.676 -1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.748 5.541 1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 86 19.459 5.854 1.410 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.262 5.084 -2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 86 20.312 5.597 -0.699 1.00 0.00 H new ATOM 1346 N ALA A 87 12.877 1.115 2.946 1.00 0.00 N ATOM 1347 CA ALA A 87 13.156 0.204 4.050 1.00 0.00 C ATOM 1348 C ALA A 87 12.799 -1.226 3.665 1.00 0.00 C ATOM 1349 O ALA A 87 13.530 -2.167 3.977 1.00 0.00 O ATOM 1350 CB ALA A 87 12.390 0.627 5.295 1.00 0.00 C ATOM 0 H ALA A 87 12.067 1.718 3.090 1.00 0.00 H new ATOM 0 HA ALA A 87 14.223 0.245 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.610 -0.063 6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.691 1.634 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.320 0.613 5.086 1.00 0.00 H new ATOM 1356 N ALA A 88 11.665 -1.380 2.987 1.00 0.00 N ATOM 1357 CA ALA A 88 11.208 -2.690 2.547 1.00 0.00 C ATOM 1358 C ALA A 88 12.150 -3.278 1.502 1.00 0.00 C ATOM 1359 O ALA A 88 12.482 -4.463 1.555 1.00 0.00 O ATOM 1360 CB ALA A 88 9.793 -2.598 1.992 1.00 0.00 C ATOM 0 H ALA A 88 11.046 -0.611 2.731 1.00 0.00 H new ATOM 0 HA ALA A 88 11.205 -3.354 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.465 -3.585 1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.121 -2.229 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.779 -1.913 1.144 1.00 0.00 H new ATOM 1366 N MET A 89 12.584 -2.448 0.553 1.00 0.00 N ATOM 1367 CA MET A 89 13.485 -2.910 -0.495 1.00 0.00 C ATOM 1368 C MET A 89 14.858 -3.228 0.087 1.00 0.00 C ATOM 1369 O MET A 89 15.521 -4.173 -0.342 1.00 0.00 O ATOM 1370 CB MET A 89 13.590 -1.875 -1.626 1.00 0.00 C ATOM 1371 CG MET A 89 14.495 -0.687 -1.331 1.00 0.00 C ATOM 1372 SD MET A 89 16.247 -1.064 -1.531 1.00 0.00 S ATOM 1373 CE MET A 89 16.974 0.547 -1.239 1.00 0.00 C ATOM 0 H MET A 89 12.328 -1.463 0.491 1.00 0.00 H new ATOM 0 HA MET A 89 13.075 -3.825 -0.922 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.954 -2.376 -2.523 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.590 -1.503 -1.852 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.229 0.137 -1.993 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.317 -0.347 -0.311 1.00 0.00 H new ATOM 0 HE1 MET A 89 17.764 0.460 -0.494 1.00 0.00 H new ATOM 0 HE2 MET A 89 17.393 0.931 -2.169 1.00 0.00 H new ATOM 0 HE3 MET A 89 16.207 1.232 -0.876 1.00 0.00 H new ATOM 1383 N GLU A 90 15.281 -2.435 1.069 1.00 0.00 N ATOM 1384 CA GLU A 90 16.568 -2.648 1.717 1.00 0.00 C ATOM 1385 C GLU A 90 16.574 -3.991 2.432 1.00 0.00 C ATOM 1386 O GLU A 90 17.611 -4.644 2.549 1.00 0.00 O ATOM 1387 CB GLU A 90 16.866 -1.524 2.713 1.00 0.00 C ATOM 1388 CG GLU A 90 17.511 -0.304 2.077 1.00 0.00 C ATOM 1389 CD GLU A 90 18.934 -0.567 1.627 1.00 0.00 C ATOM 1390 OE1 GLU A 90 19.115 -1.238 0.589 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.869 -0.104 2.315 1.00 0.00 O ATOM 0 H GLU A 90 14.751 -1.642 1.431 1.00 0.00 H new ATOM 0 HA GLU A 90 17.344 -2.645 0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.937 -1.223 3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.523 -1.907 3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.915 0.013 1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.506 0.519 2.791 1.00 0.00 H new ATOM 1398 N LYS A 91 15.401 -4.393 2.910 1.00 0.00 N ATOM 1399 CA LYS A 91 15.253 -5.663 3.611 1.00 0.00 C ATOM 1400 C LYS A 91 15.516 -6.835 2.672 1.00 0.00 C ATOM 1401 O LYS A 91 16.127 -7.831 3.062 1.00 0.00 O ATOM 1402 CB LYS A 91 13.849 -5.778 4.210 1.00 0.00 C ATOM 1403 CG LYS A 91 13.645 -7.027 5.054 1.00 0.00 C ATOM 1404 CD LYS A 91 14.536 -7.021 6.285 1.00 0.00 C ATOM 1405 CE LYS A 91 14.364 -8.289 7.107 1.00 0.00 C ATOM 1406 NZ LYS A 91 15.229 -8.288 8.318 1.00 0.00 N ATOM 0 H LYS A 91 14.538 -3.856 2.824 1.00 0.00 H new ATOM 0 HA LYS A 91 15.987 -5.694 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.652 -4.899 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.117 -5.773 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.601 -7.094 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.858 -7.911 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.578 -6.923 5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.301 -6.153 6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.321 -8.389 7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.603 -9.156 6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.082 -9.169 8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.227 -8.219 8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.984 -7.475 8.919 1.00 0.00 H new ATOM 1420 N LEU A 92 15.050 -6.714 1.431 1.00 0.00 N ATOM 1421 CA LEU A 92 15.238 -7.768 0.439 1.00 0.00 C ATOM 1422 C LEU A 92 16.695 -7.844 0.010 1.00 0.00 C ATOM 1423 O LEU A 92 17.238 -8.929 -0.182 1.00 0.00 O ATOM 1424 CB LEU A 92 14.347 -7.527 -0.780 1.00 0.00 C ATOM 1425 CG LEU A 92 12.872 -7.276 -0.467 1.00 0.00 C ATOM 1426 CD1 LEU A 92 12.056 -7.210 -1.749 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.325 -8.353 0.460 1.00 0.00 C ATOM 0 H LEU A 92 14.541 -5.899 1.090 1.00 0.00 H new ATOM 0 HA LEU A 92 14.956 -8.717 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.736 -6.671 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.420 -8.391 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 92 12.792 -6.315 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.009 -7.031 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.427 -6.398 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.147 -8.154 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.274 -8.154 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.421 -9.328 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.887 -8.349 1.394 1.00 0.00 H new ATOM 1439 N ALA A 93 17.317 -6.682 -0.154 1.00 0.00 N ATOM 1440 CA ALA A 93 18.717 -6.620 -0.551 1.00 0.00 C ATOM 1441 C ALA A 93 19.594 -7.410 0.417 1.00 0.00 C ATOM 1442 O ALA A 93 20.698 -7.830 0.071 1.00 0.00 O ATOM 1443 CB ALA A 93 19.182 -5.174 -0.638 1.00 0.00 C ATOM 0 H ALA A 93 16.875 -5.773 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 93 18.811 -7.073 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.230 -5.146 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.581 -4.642 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.068 -4.696 0.335 1.00 0.00 H new ATOM 1449 N GLU A 94 19.089 -7.607 1.629 1.00 0.00 N ATOM 1450 CA GLU A 94 19.810 -8.352 2.653 1.00 0.00 C ATOM 1451 C GLU A 94 19.413 -9.825 2.603 1.00 0.00 C ATOM 1452 O GLU A 94 20.161 -10.702 3.029 1.00 0.00 O ATOM 1453 CB GLU A 94 19.503 -7.766 4.036 1.00 0.00 C ATOM 1454 CG GLU A 94 20.495 -8.167 5.119 1.00 0.00 C ATOM 1455 CD GLU A 94 20.314 -9.598 5.588 1.00 0.00 C ATOM 1456 OE1 GLU A 94 19.238 -9.908 6.143 1.00 0.00 O ATOM 1457 OE2 GLU A 94 21.247 -10.407 5.406 1.00 0.00 O ATOM 0 H GLU A 94 18.178 -7.259 1.927 1.00 0.00 H new ATOM 0 HA GLU A 94 20.881 -8.272 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.484 -6.679 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.505 -8.082 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 94 21.509 -8.040 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 94 20.386 -7.495 5.970 1.00 0.00 H new ATOM 1464 N THR A 95 18.228 -10.080 2.058 1.00 0.00 N ATOM 1465 CA THR A 95 17.705 -11.437 1.942 1.00 0.00 C ATOM 1466 C THR A 95 17.416 -11.784 0.485 1.00 0.00 C ATOM 1467 O THR A 95 16.419 -12.438 0.180 1.00 0.00 O ATOM 1468 CB THR A 95 16.415 -11.614 2.766 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.409 -10.702 2.307 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.684 -11.378 4.245 1.00 0.00 C ATOM 0 H THR A 95 17.608 -9.360 1.687 1.00 0.00 H new ATOM 0 HA THR A 95 18.469 -12.109 2.332 1.00 0.00 H new ATOM 0 HB THR A 95 16.063 -12.637 2.634 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.623 -9.797 2.615 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.760 -11.508 4.808 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.428 -12.092 4.598 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.057 -10.364 4.390 1.00 0.00 H new ATOM 1478 N GLY A 96 18.300 -11.333 -0.404 1.00 0.00 N ATOM 1479 CA GLY A 96 18.142 -11.581 -1.828 1.00 0.00 C ATOM 1480 C GLY A 96 17.607 -12.963 -2.148 1.00 0.00 C ATOM 1481 O GLY A 96 18.330 -13.955 -2.063 1.00 0.00 O ATOM 0 H GLY A 96 19.131 -10.795 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.467 -10.834 -2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.106 -11.451 -2.320 1.00 0.00 H new ATOM 1485 N THR A 97 16.332 -13.020 -2.517 1.00 0.00 N ATOM 1486 CA THR A 97 15.689 -14.281 -2.861 1.00 0.00 C ATOM 1487 C THR A 97 14.675 -14.087 -3.984 1.00 0.00 C ATOM 1488 O THR A 97 13.849 -13.175 -3.938 1.00 0.00 O ATOM 1489 CB THR A 97 14.978 -14.907 -1.647 1.00 0.00 C ATOM 1490 OG1 THR A 97 14.154 -13.930 -1.002 1.00 0.00 O ATOM 1491 CG2 THR A 97 15.986 -15.466 -0.653 1.00 0.00 C ATOM 0 H THR A 97 15.723 -12.205 -2.585 1.00 0.00 H new ATOM 0 HA THR A 97 16.478 -14.956 -3.193 1.00 0.00 H new ATOM 0 HB THR A 97 14.355 -15.727 -2.005 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.719 -13.302 -0.505 1.00 0.00 H new ATOM 0 HG21 THR A 97 15.458 -15.902 0.195 1.00 0.00 H new ATOM 0 HG22 THR A 97 16.589 -16.233 -1.139 1.00 0.00 H new ATOM 0 HG23 THR A 97 16.635 -14.663 -0.302 1.00 0.00 H new ATOM 1499 N GLY A 98 14.742 -14.954 -4.992 1.00 0.00 N ATOM 1500 CA GLY A 98 13.829 -14.860 -6.116 1.00 0.00 C ATOM 1501 C GLY A 98 13.937 -13.533 -6.841 1.00 0.00 C ATOM 1502 O GLY A 98 15.028 -12.978 -6.972 1.00 0.00 O ATOM 0 H GLY A 98 15.413 -15.720 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.034 -15.670 -6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.807 -14.995 -5.762 1.00 0.00 H new ATOM 1506 N PHE A 99 12.804 -13.022 -7.313 1.00 0.00 N ATOM 1507 CA PHE A 99 12.779 -11.751 -8.026 1.00 0.00 C ATOM 1508 C PHE A 99 12.711 -10.583 -7.049 1.00 0.00 C ATOM 1509 O PHE A 99 13.115 -9.469 -7.374 1.00 0.00 O ATOM 1510 CB PHE A 99 11.588 -11.698 -8.992 1.00 0.00 C ATOM 1511 CG PHE A 99 10.243 -11.839 -8.327 1.00 0.00 C ATOM 1512 CD1 PHE A 99 9.728 -10.820 -7.540 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.489 -12.990 -8.496 1.00 0.00 C ATOM 1514 CE1 PHE A 99 8.495 -10.944 -6.937 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.250 -13.118 -7.896 1.00 0.00 C ATOM 1516 CZ PHE A 99 7.754 -12.092 -7.114 1.00 0.00 C ATOM 0 H PHE A 99 11.892 -13.469 -7.214 1.00 0.00 H new ATOM 0 HA PHE A 99 13.702 -11.669 -8.601 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.616 -10.752 -9.533 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.699 -12.491 -9.732 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.302 -9.916 -7.398 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.874 -13.796 -9.103 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.110 -10.141 -6.326 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.671 -14.018 -8.038 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.787 -12.190 -6.643 1.00 0.00 H new ATOM 1526 N ALA A 100 12.194 -10.854 -5.851 1.00 0.00 N ATOM 1527 CA ALA A 100 12.055 -9.834 -4.816 1.00 0.00 C ATOM 1528 C ALA A 100 13.315 -8.986 -4.696 1.00 0.00 C ATOM 1529 O ALA A 100 13.244 -7.779 -4.459 1.00 0.00 O ATOM 1530 CB ALA A 100 11.734 -10.485 -3.480 1.00 0.00 C ATOM 0 H ALA A 100 11.863 -11.778 -5.574 1.00 0.00 H new ATOM 0 HA ALA A 100 11.235 -9.176 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.632 -9.715 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.800 -11.041 -3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.539 -11.166 -3.204 1.00 0.00 H new ATOM 1536 N ARG A 101 14.465 -9.622 -4.863 1.00 0.00 N ATOM 1537 CA ARG A 101 15.740 -8.927 -4.772 1.00 0.00 C ATOM 1538 C ARG A 101 15.876 -7.889 -5.881 1.00 0.00 C ATOM 1539 O ARG A 101 15.996 -6.694 -5.613 1.00 0.00 O ATOM 1540 CB ARG A 101 16.889 -9.924 -4.860 1.00 0.00 C ATOM 1541 CG ARG A 101 18.261 -9.274 -4.810 1.00 0.00 C ATOM 1542 CD ARG A 101 18.505 -8.591 -3.474 1.00 0.00 C ATOM 1543 NE ARG A 101 19.688 -7.735 -3.508 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.874 -8.098 -3.031 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.035 -9.298 -2.488 1.00 0.00 N ATOM 1546 NH2 ARG A 101 21.903 -7.264 -3.099 1.00 0.00 N ATOM 0 H ARG A 101 14.541 -10.619 -5.062 1.00 0.00 H new ATOM 0 HA ARG A 101 15.778 -8.415 -3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.804 -10.638 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.798 -10.491 -5.787 1.00 0.00 H new ATOM 0 HG2 ARG A 101 19.029 -10.029 -4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.349 -8.544 -5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.633 -7.994 -3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.625 -9.346 -2.697 1.00 0.00 H new ATOM 0 HE ARG A 101 19.599 -6.807 -3.921 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.247 -9.944 -2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.946 -9.574 -2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 101 21.785 -6.342 -3.518 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.812 -7.545 -2.732 1.00 0.00 H new ATOM 1560 N LYS A 102 15.859 -8.357 -7.127 1.00 0.00 N ATOM 1561 CA LYS A 102 15.974 -7.469 -8.278 1.00 0.00 C ATOM 1562 C LYS A 102 14.913 -6.381 -8.212 1.00 0.00 C ATOM 1563 O LYS A 102 15.135 -5.247 -8.637 1.00 0.00 O ATOM 1564 CB LYS A 102 15.833 -8.264 -9.579 1.00 0.00 C ATOM 1565 CG LYS A 102 15.584 -7.393 -10.803 1.00 0.00 C ATOM 1566 CD LYS A 102 15.673 -8.195 -12.094 1.00 0.00 C ATOM 1567 CE LYS A 102 17.083 -8.713 -12.339 1.00 0.00 C ATOM 1568 NZ LYS A 102 17.177 -9.478 -13.613 1.00 0.00 N ATOM 0 H LYS A 102 15.767 -9.345 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 102 16.958 -7.001 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.739 -8.848 -9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.011 -8.972 -9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.599 -6.933 -10.728 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.313 -6.583 -10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.980 -9.035 -12.049 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.364 -7.571 -12.932 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.779 -7.874 -12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.385 -9.351 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.152 -9.814 -13.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.532 -10.293 -13.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.913 -8.862 -14.408 1.00 0.00 H new ATOM 1582 N VAL A 103 13.761 -6.744 -7.668 1.00 0.00 N ATOM 1583 CA VAL A 103 12.651 -5.820 -7.528 1.00 0.00 C ATOM 1584 C VAL A 103 12.997 -4.689 -6.565 1.00 0.00 C ATOM 1585 O VAL A 103 12.731 -3.526 -6.845 1.00 0.00 O ATOM 1586 CB VAL A 103 11.394 -6.557 -7.024 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.321 -5.571 -6.582 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.855 -7.484 -8.102 1.00 0.00 C ATOM 0 H VAL A 103 13.572 -7.682 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 103 12.450 -5.394 -8.511 1.00 0.00 H new ATOM 0 HB VAL A 103 11.677 -7.156 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.446 -6.118 -6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.708 -4.950 -5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.040 -4.938 -7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.968 -7.997 -7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.594 -6.902 -8.986 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.616 -8.219 -8.364 1.00 0.00 H new ATOM 1598 N ALA A 104 13.602 -5.043 -5.436 1.00 0.00 N ATOM 1599 CA ALA A 104 13.975 -4.069 -4.415 1.00 0.00 C ATOM 1600 C ALA A 104 15.038 -3.088 -4.906 1.00 0.00 C ATOM 1601 O ALA A 104 14.828 -1.875 -4.918 1.00 0.00 O ATOM 1602 CB ALA A 104 14.481 -4.802 -3.183 1.00 0.00 C ATOM 0 H ALA A 104 13.846 -6.006 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 104 13.086 -3.486 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.761 -4.078 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.695 -5.452 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.351 -5.403 -3.449 1.00 0.00 H new ATOM 1608 N VAL A 105 16.178 -3.634 -5.304 1.00 0.00 N ATOM 1609 CA VAL A 105 17.315 -2.843 -5.772 1.00 0.00 C ATOM 1610 C VAL A 105 16.946 -1.907 -6.920 1.00 0.00 C ATOM 1611 O VAL A 105 17.044 -0.687 -6.790 1.00 0.00 O ATOM 1612 CB VAL A 105 18.472 -3.758 -6.225 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.657 -2.933 -6.709 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.888 -4.689 -5.096 1.00 0.00 C ATOM 0 H VAL A 105 16.344 -4.640 -5.313 1.00 0.00 H new ATOM 0 HA VAL A 105 17.630 -2.234 -4.924 1.00 0.00 H new ATOM 0 HB VAL A 105 18.121 -4.366 -7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.460 -3.599 -7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.349 -2.313 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.011 -2.295 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.705 -5.327 -5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.217 -4.099 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.040 -5.309 -4.804 1.00 0.00 H new ATOM 1624 N ASN A 106 16.529 -2.481 -8.043 1.00 0.00 N ATOM 1625 CA ASN A 106 16.168 -1.694 -9.217 1.00 0.00 C ATOM 1626 C ASN A 106 15.099 -0.654 -8.893 1.00 0.00 C ATOM 1627 O ASN A 106 15.133 0.462 -9.411 1.00 0.00 O ATOM 1628 CB ASN A 106 15.683 -2.612 -10.338 1.00 0.00 C ATOM 1629 CG ASN A 106 16.802 -3.455 -10.918 1.00 0.00 C ATOM 1630 OD1 ASN A 106 17.092 -4.546 -10.426 1.00 0.00 O ATOM 1631 ND2 ASN A 106 17.440 -2.951 -11.969 1.00 0.00 N ATOM 0 H ASN A 106 16.432 -3.489 -8.165 1.00 0.00 H new ATOM 0 HA ASN A 106 17.061 -1.162 -9.545 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.900 -3.266 -9.955 1.00 0.00 H new ATOM 0 HB3 ASN A 106 15.237 -2.010 -11.130 1.00 0.00 H new ATOM 0 HD21 ASN A 106 18.203 -3.472 -12.400 1.00 0.00 H new ATOM 0 HD22 ASN A 106 17.166 -2.043 -12.344 1.00 0.00 H new ATOM 1638 N TYR A 107 14.147 -1.025 -8.045 1.00 0.00 N ATOM 1639 CA TYR A 107 13.073 -0.121 -7.663 1.00 0.00 C ATOM 1640 C TYR A 107 13.612 1.153 -7.019 1.00 0.00 C ATOM 1641 O TYR A 107 13.161 2.256 -7.326 1.00 0.00 O ATOM 1642 CB TYR A 107 12.123 -0.821 -6.695 1.00 0.00 C ATOM 1643 CG TYR A 107 11.347 0.137 -5.830 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.373 0.968 -6.363 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.618 0.225 -4.478 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.684 1.858 -5.565 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.940 1.112 -3.671 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.972 1.928 -4.218 1.00 0.00 C ATOM 1649 OH TYR A 107 9.293 2.816 -3.419 1.00 0.00 O ATOM 0 H TYR A 107 14.098 -1.946 -7.610 1.00 0.00 H new ATOM 0 HA TYR A 107 12.537 0.159 -8.570 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.424 -1.436 -7.262 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.695 -1.495 -6.057 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.150 0.918 -7.419 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.375 -0.413 -4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.924 2.496 -5.992 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.165 1.168 -2.616 1.00 0.00 H new ATOM 0 HH TYR A 107 8.346 2.567 -3.384 1.00 0.00 H new ATOM 1659 N LEU A 108 14.573 0.983 -6.116 1.00 0.00 N ATOM 1660 CA LEU A 108 15.168 2.100 -5.390 1.00 0.00 C ATOM 1661 C LEU A 108 15.633 3.215 -6.332 1.00 0.00 C ATOM 1662 O LEU A 108 15.843 4.349 -5.900 1.00 0.00 O ATOM 1663 CB LEU A 108 16.322 1.592 -4.515 1.00 0.00 C ATOM 1664 CG LEU A 108 17.735 1.980 -4.959 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.160 3.277 -4.292 1.00 0.00 C ATOM 1666 CD2 LEU A 108 18.719 0.868 -4.630 1.00 0.00 C ATOM 0 H LEU A 108 14.959 0.072 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 108 14.402 2.536 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 108 16.169 1.961 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 108 16.264 0.504 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 108 17.731 2.129 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 108 19.167 3.540 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 108 17.469 4.073 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 108 18.150 3.150 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 108 19.719 1.160 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 108 18.722 0.691 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 108 18.423 -0.045 -5.147 1.00 0.00 H new ATOM 1678 N GLU A 109 15.782 2.896 -7.614 1.00 0.00 N ATOM 1679 CA GLU A 109 16.216 3.885 -8.599 1.00 0.00 C ATOM 1680 C GLU A 109 15.222 5.042 -8.688 1.00 0.00 C ATOM 1681 O GLU A 109 15.488 6.052 -9.342 1.00 0.00 O ATOM 1682 CB GLU A 109 16.381 3.237 -9.974 1.00 0.00 C ATOM 1683 CG GLU A 109 17.512 2.223 -10.036 1.00 0.00 C ATOM 1684 CD GLU A 109 17.654 1.591 -11.407 1.00 0.00 C ATOM 1685 OE1 GLU A 109 16.891 0.649 -11.707 1.00 0.00 O ATOM 1686 OE2 GLU A 109 18.525 2.039 -12.180 1.00 0.00 O ATOM 0 H GLU A 109 15.610 1.966 -7.995 1.00 0.00 H new ATOM 0 HA GLU A 109 17.179 4.279 -8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.448 2.746 -10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.561 4.016 -10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.448 2.712 -9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.336 1.442 -9.296 1.00 0.00 H new ATOM 1693 N THR A 110 14.076 4.888 -8.031 1.00 0.00 N ATOM 1694 CA THR A 110 13.045 5.919 -8.033 1.00 0.00 C ATOM 1695 C THR A 110 12.712 6.368 -6.614 1.00 0.00 C ATOM 1696 O THR A 110 12.541 7.560 -6.355 1.00 0.00 O ATOM 1697 CB THR A 110 11.758 5.423 -8.718 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.293 4.226 -8.083 1.00 0.00 O ATOM 1699 CG2 THR A 110 12.000 5.157 -10.197 1.00 0.00 C ATOM 0 H THR A 110 13.838 4.057 -7.490 1.00 0.00 H new ATOM 0 HA THR A 110 13.444 6.764 -8.593 1.00 0.00 H new ATOM 0 HB THR A 110 11.000 6.201 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.031 3.585 -8.014 1.00 0.00 H new ATOM 0 HG21 THR A 110 11.077 4.808 -10.660 1.00 0.00 H new ATOM 0 HG22 THR A 110 12.324 6.077 -10.684 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.772 4.396 -10.308 1.00 0.00 H new ATOM 1707 N HIS A 111 12.621 5.407 -5.697 1.00 0.00 N ATOM 1708 CA HIS A 111 12.307 5.704 -4.303 1.00 0.00 C ATOM 1709 C HIS A 111 13.079 4.781 -3.365 1.00 0.00 C ATOM 1710 O HIS A 111 12.550 3.698 -3.032 1.00 0.00 O ATOM 1711 CB HIS A 111 10.803 5.569 -4.052 1.00 0.00 C ATOM 1712 CG HIS A 111 9.991 6.654 -4.692 1.00 0.00 C ATOM 1713 ND1 HIS A 111 9.424 6.533 -5.943 1.00 0.00 N ATOM 1714 CD2 HIS A 111 9.651 7.887 -4.245 1.00 0.00 C ATOM 1715 CE1 HIS A 111 8.773 7.645 -6.239 1.00 0.00 C ATOM 1716 NE2 HIS A 111 8.895 8.481 -5.225 1.00 0.00 N ATOM 1717 OXT HIS A 111 14.206 5.147 -2.970 1.00 0.00 O ATOM 0 H HIS A 111 12.760 4.416 -5.895 1.00 0.00 H new ATOM 0 HA HIS A 111 12.607 6.732 -4.101 1.00 0.00 H new ATOM 0 HB2 HIS A 111 10.465 4.603 -4.428 1.00 0.00 H new ATOM 0 HB3 HIS A 111 10.620 5.575 -2.978 1.00 0.00 H new ATOM 0 HD2 HIS A 111 9.924 8.322 -3.295 1.00 0.00 H new ATOM 0 HE1 HIS A 111 8.233 7.837 -7.155 1.00 0.00 H new ATOM 0 HE2 HIS A 111 8.493 9.417 -5.177 1.00 0.00 H new TER 1726 HIS A 111