USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 641 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 58 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 ASN : amide:sc= -4.01 X(o=-4,f=-3.5!) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0693 (180deg=0) USER MOD Single : A 2 SER OG : rot 4:sc= 1.15 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -123:sc= -0.452 (180deg=-2.11!) USER MOD Single : A 13 ASN : amide:sc= -1.84 K(o=-1.8,f=-6.9!) USER MOD Single : A 17 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.55) USER MOD Single : A 25 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.5) USER MOD Single : A 29 THR OG1 : rot -73:sc= 0.249 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 7:sc= 1.28 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.837 K(o=0.84,f=-2.3!) USER MOD Single : A 63 GLN : amide:sc= 0.225 K(o=0.22,f=-0.29) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 112:sc= 1.26 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -145:sc= 0.196 (180deg=-0.623) USER MOD Single : A 74 SER OG : rot 176:sc= 0.0814 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.224 28.254 40.909 1.00 0.00 N ATOM 2 CA GLY A 1 -23.253 27.649 40.016 1.00 0.00 C ATOM 3 C GLY A 1 -23.516 27.984 38.561 1.00 0.00 C ATOM 4 O GLY A 1 -24.585 28.487 38.216 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.755 28.972 41.497 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.978 28.702 40.350 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.636 27.521 41.521 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.253 27.987 40.289 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.270 26.567 40.145 1.00 0.00 H new ATOM 8 N SER A 2 -22.538 27.707 37.705 1.00 0.00 N ATOM 9 CA SER A 2 -22.666 27.988 36.280 1.00 0.00 C ATOM 10 C SER A 2 -21.624 27.214 35.478 1.00 0.00 C ATOM 11 O SER A 2 -20.757 26.549 36.044 1.00 0.00 O ATOM 12 CB SER A 2 -22.517 29.488 36.019 1.00 0.00 C ATOM 13 OG SER A 2 -23.681 30.192 36.414 1.00 0.00 O ATOM 0 H SER A 2 -21.648 27.288 37.974 1.00 0.00 H new ATOM 0 HA SER A 2 -23.657 27.668 35.959 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.654 29.871 36.564 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.327 29.659 34.959 1.00 0.00 H new ATOM 0 HG SER A 2 -24.315 29.570 36.828 1.00 0.00 H new ATOM 19 N SER A 3 -21.716 27.306 34.155 1.00 0.00 N ATOM 20 CA SER A 3 -20.785 26.613 33.273 1.00 0.00 C ATOM 21 C SER A 3 -20.197 27.571 32.242 1.00 0.00 C ATOM 22 O SER A 3 -20.638 28.713 32.116 1.00 0.00 O ATOM 23 CB SER A 3 -21.487 25.452 32.566 1.00 0.00 C ATOM 24 OG SER A 3 -22.359 25.925 31.554 1.00 0.00 O ATOM 0 H SER A 3 -22.427 27.854 33.670 1.00 0.00 H new ATOM 0 HA SER A 3 -19.971 26.219 33.882 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.744 24.786 32.128 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.051 24.867 33.292 1.00 0.00 H new ATOM 0 HG SER A 3 -22.794 25.164 31.116 1.00 0.00 H new ATOM 30 N GLY A 4 -19.197 27.097 31.505 1.00 0.00 N ATOM 31 CA GLY A 4 -18.564 27.923 30.494 1.00 0.00 C ATOM 32 C GLY A 4 -17.709 27.116 29.537 1.00 0.00 C ATOM 33 O GLY A 4 -17.069 26.143 29.936 1.00 0.00 O ATOM 0 H GLY A 4 -18.814 26.155 31.590 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.331 28.454 29.931 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.946 28.677 30.981 1.00 0.00 H new ATOM 37 N SER A 5 -17.699 27.519 28.271 1.00 0.00 N ATOM 38 CA SER A 5 -16.921 26.823 27.253 1.00 0.00 C ATOM 39 C SER A 5 -16.767 27.685 26.003 1.00 0.00 C ATOM 40 O SER A 5 -17.735 28.271 25.517 1.00 0.00 O ATOM 41 CB SER A 5 -17.587 25.494 26.892 1.00 0.00 C ATOM 42 OG SER A 5 -16.915 24.863 25.815 1.00 0.00 O ATOM 0 H SER A 5 -18.221 28.324 27.925 1.00 0.00 H new ATOM 0 HA SER A 5 -15.930 26.625 27.661 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.587 24.836 27.761 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.629 25.667 26.623 1.00 0.00 H new ATOM 0 HG SER A 5 -17.359 24.015 25.604 1.00 0.00 H new ATOM 48 N SER A 6 -15.544 27.755 25.487 1.00 0.00 N ATOM 49 CA SER A 6 -15.262 28.547 24.296 1.00 0.00 C ATOM 50 C SER A 6 -14.540 27.709 23.245 1.00 0.00 C ATOM 51 O SER A 6 -14.163 26.566 23.498 1.00 0.00 O ATOM 52 CB SER A 6 -14.416 29.769 24.659 1.00 0.00 C ATOM 53 OG SER A 6 -15.175 30.715 25.393 1.00 0.00 O ATOM 0 H SER A 6 -14.733 27.273 25.875 1.00 0.00 H new ATOM 0 HA SER A 6 -16.212 28.882 23.879 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.553 29.456 25.246 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.032 30.232 23.750 1.00 0.00 H new ATOM 0 HG SER A 6 -14.611 31.486 25.614 1.00 0.00 H new ATOM 59 N GLY A 7 -14.351 28.288 22.063 1.00 0.00 N ATOM 60 CA GLY A 7 -13.676 27.582 20.990 1.00 0.00 C ATOM 61 C GLY A 7 -14.423 27.674 19.675 1.00 0.00 C ATOM 62 O GLY A 7 -15.355 26.913 19.411 1.00 0.00 O ATOM 0 H GLY A 7 -14.654 29.234 21.830 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.674 27.991 20.864 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.560 26.534 21.266 1.00 0.00 H new ATOM 66 N PRO A 8 -14.014 28.626 18.823 1.00 0.00 N ATOM 67 CA PRO A 8 -14.639 28.838 17.514 1.00 0.00 C ATOM 68 C PRO A 8 -14.344 27.702 16.540 1.00 0.00 C ATOM 69 O PRO A 8 -13.499 26.847 16.804 1.00 0.00 O ATOM 70 CB PRO A 8 -14.003 30.141 17.024 1.00 0.00 C ATOM 71 CG PRO A 8 -12.693 30.212 17.730 1.00 0.00 C ATOM 72 CD PRO A 8 -12.910 29.568 19.072 1.00 0.00 C ATOM 0 HA PRO A 8 -15.726 28.878 17.583 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.870 30.134 15.942 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -14.629 31.001 17.263 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.918 29.691 17.168 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.365 31.246 17.842 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.014 29.054 19.421 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.173 30.303 19.833 1.00 0.00 H new ATOM 80 N LYS A 9 -15.046 27.700 15.411 1.00 0.00 N ATOM 81 CA LYS A 9 -14.859 26.670 14.396 1.00 0.00 C ATOM 82 C LYS A 9 -13.408 26.628 13.925 1.00 0.00 C ATOM 83 O LYS A 9 -12.754 27.657 13.759 1.00 0.00 O ATOM 84 CB LYS A 9 -15.785 26.925 13.205 1.00 0.00 C ATOM 85 CG LYS A 9 -17.255 26.986 13.580 1.00 0.00 C ATOM 86 CD LYS A 9 -17.875 25.600 13.633 1.00 0.00 C ATOM 87 CE LYS A 9 -18.216 25.089 12.241 1.00 0.00 C ATOM 88 NZ LYS A 9 -19.584 25.498 11.819 1.00 0.00 N ATOM 0 H LYS A 9 -15.749 28.400 15.176 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.107 25.707 14.841 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.501 27.863 12.729 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.639 26.136 12.467 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.364 27.472 14.550 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.791 27.598 12.855 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.184 24.909 14.116 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -18.778 25.627 14.243 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.487 25.469 11.526 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.141 24.002 12.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.778 25.130 10.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.283 25.114 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.649 26.536 11.809 1.00 0.00 H new ATOM 102 N PRO A 10 -12.893 25.409 13.703 1.00 0.00 N ATOM 103 CA PRO A 10 -11.515 25.204 13.247 1.00 0.00 C ATOM 104 C PRO A 10 -11.307 25.661 11.807 1.00 0.00 C ATOM 105 O PRO A 10 -12.249 25.696 11.014 1.00 0.00 O ATOM 106 CB PRO A 10 -11.326 23.689 13.359 1.00 0.00 C ATOM 107 CG PRO A 10 -12.701 23.127 13.247 1.00 0.00 C ATOM 108 CD PRO A 10 -13.615 24.139 13.881 1.00 0.00 C ATOM 0 HA PRO A 10 -10.801 25.781 13.835 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.678 23.311 12.568 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.863 23.417 14.307 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.970 22.958 12.204 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.772 22.165 13.755 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.590 24.160 13.395 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.788 23.920 14.934 1.00 0.00 H new ATOM 116 N LEU A 11 -10.069 26.012 11.476 1.00 0.00 N ATOM 117 CA LEU A 11 -9.737 26.467 10.130 1.00 0.00 C ATOM 118 C LEU A 11 -9.764 25.306 9.141 1.00 0.00 C ATOM 119 O LEU A 11 -9.505 24.159 9.505 1.00 0.00 O ATOM 120 CB LEU A 11 -8.359 27.129 10.120 1.00 0.00 C ATOM 121 CG LEU A 11 -7.982 27.875 8.839 1.00 0.00 C ATOM 122 CD1 LEU A 11 -8.535 29.291 8.863 1.00 0.00 C ATOM 123 CD2 LEU A 11 -6.471 27.894 8.659 1.00 0.00 C ATOM 0 H LEU A 11 -9.279 25.990 12.121 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.486 27.198 9.825 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.309 27.830 10.953 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.608 26.361 10.304 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.423 27.349 7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.257 29.806 7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.621 29.256 8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.124 29.828 9.718 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.220 28.429 7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.010 28.396 9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.099 26.871 8.595 1.00 0.00 H new ATOM 135 N LYS A 12 -10.077 25.612 7.886 1.00 0.00 N ATOM 136 CA LYS A 12 -10.134 24.596 6.842 1.00 0.00 C ATOM 137 C LYS A 12 -8.789 23.891 6.695 1.00 0.00 C ATOM 138 O LYS A 12 -7.870 24.414 6.067 1.00 0.00 O ATOM 139 CB LYS A 12 -10.539 25.229 5.508 1.00 0.00 C ATOM 140 CG LYS A 12 -11.283 24.279 4.586 1.00 0.00 C ATOM 141 CD LYS A 12 -12.699 24.022 5.076 1.00 0.00 C ATOM 142 CE LYS A 12 -13.628 25.173 4.724 1.00 0.00 C ATOM 143 NZ LYS A 12 -13.666 26.203 5.799 1.00 0.00 N ATOM 0 H LYS A 12 -10.295 26.556 7.568 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.882 23.857 7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.167 26.098 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.645 25.589 5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.315 24.697 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.742 23.335 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.076 23.100 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.691 23.877 6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.300 25.633 3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.634 24.789 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.647 26.335 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.079 25.891 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.298 27.103 5.430 1.00 0.00 H new ATOM 157 N ASN A 13 -8.684 22.701 7.277 1.00 0.00 N ATOM 158 CA ASN A 13 -7.451 21.924 7.209 1.00 0.00 C ATOM 159 C ASN A 13 -7.724 20.447 7.480 1.00 0.00 C ATOM 160 O ASN A 13 -8.865 20.049 7.721 1.00 0.00 O ATOM 161 CB ASN A 13 -6.431 22.458 8.216 1.00 0.00 C ATOM 162 CG ASN A 13 -6.988 22.523 9.625 1.00 0.00 C ATOM 163 OD1 ASN A 13 -8.147 22.181 9.863 1.00 0.00 O ATOM 164 ND2 ASN A 13 -6.163 22.963 10.568 1.00 0.00 N ATOM 0 H ASN A 13 -9.437 22.254 7.800 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.044 22.022 6.203 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.547 21.820 8.207 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.109 23.453 7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.482 23.028 11.535 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.211 23.236 10.326 1.00 0.00 H new ATOM 171 N LEU A 14 -6.670 19.640 7.439 1.00 0.00 N ATOM 172 CA LEU A 14 -6.795 18.207 7.681 1.00 0.00 C ATOM 173 C LEU A 14 -7.916 17.608 6.838 1.00 0.00 C ATOM 174 O LEU A 14 -8.785 16.904 7.354 1.00 0.00 O ATOM 175 CB LEU A 14 -7.058 17.940 9.164 1.00 0.00 C ATOM 176 CG LEU A 14 -5.858 18.104 10.099 1.00 0.00 C ATOM 177 CD1 LEU A 14 -6.322 18.284 11.536 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.925 16.908 9.983 1.00 0.00 C ATOM 0 H LEU A 14 -5.720 19.953 7.241 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.856 17.733 7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.849 18.612 9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.438 16.924 9.268 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.309 18.998 9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.455 18.399 12.187 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.950 19.172 11.607 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.894 17.410 11.846 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.077 17.041 10.655 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.463 15.999 10.254 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.566 16.825 8.957 1.00 0.00 H new ATOM 190 N ASP A 15 -7.890 17.890 5.541 1.00 0.00 N ATOM 191 CA ASP A 15 -8.902 17.377 4.626 1.00 0.00 C ATOM 192 C ASP A 15 -9.212 15.913 4.923 1.00 0.00 C ATOM 193 O ASP A 15 -10.359 15.551 5.182 1.00 0.00 O ATOM 194 CB ASP A 15 -8.435 17.528 3.177 1.00 0.00 C ATOM 195 CG ASP A 15 -7.692 18.828 2.941 1.00 0.00 C ATOM 196 OD1 ASP A 15 -8.263 19.899 3.233 1.00 0.00 O ATOM 197 OD2 ASP A 15 -6.539 18.775 2.463 1.00 0.00 O ATOM 0 H ASP A 15 -7.178 18.472 5.099 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.813 17.959 4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.787 16.690 2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.298 17.481 2.513 1.00 0.00 H new ATOM 202 N GLY A 16 -8.180 15.075 4.884 1.00 0.00 N ATOM 203 CA GLY A 16 -8.363 13.660 5.151 1.00 0.00 C ATOM 204 C GLY A 16 -7.315 12.802 4.471 1.00 0.00 C ATOM 205 O GLY A 16 -6.979 11.722 4.957 1.00 0.00 O ATOM 0 H GLY A 16 -7.221 15.351 4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.326 13.489 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.353 13.355 4.813 1.00 0.00 H new ATOM 209 N GLN A 17 -6.799 13.282 3.345 1.00 0.00 N ATOM 210 CA GLN A 17 -5.784 12.549 2.597 1.00 0.00 C ATOM 211 C GLN A 17 -4.670 12.066 3.520 1.00 0.00 C ATOM 212 O GLN A 17 -3.945 11.125 3.195 1.00 0.00 O ATOM 213 CB GLN A 17 -5.200 13.430 1.491 1.00 0.00 C ATOM 214 CG GLN A 17 -6.222 13.857 0.450 1.00 0.00 C ATOM 215 CD GLN A 17 -5.581 14.461 -0.784 1.00 0.00 C ATOM 216 OE1 GLN A 17 -5.892 14.075 -1.912 1.00 0.00 O ATOM 217 NE2 GLN A 17 -4.680 15.414 -0.577 1.00 0.00 N ATOM 0 H GLN A 17 -7.066 14.175 2.930 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.260 11.678 2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.759 14.319 1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.393 12.890 0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.820 12.994 0.158 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.904 14.583 0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.453 15.703 0.374 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.215 15.857 -1.369 1.00 0.00 H new ATOM 226 N PHE A 18 -4.539 12.717 4.671 1.00 0.00 N ATOM 227 CA PHE A 18 -3.512 12.354 5.641 1.00 0.00 C ATOM 228 C PHE A 18 -3.792 10.980 6.242 1.00 0.00 C ATOM 229 O PHE A 18 -4.874 10.731 6.774 1.00 0.00 O ATOM 230 CB PHE A 18 -3.437 13.403 6.752 1.00 0.00 C ATOM 231 CG PHE A 18 -3.128 14.786 6.252 1.00 0.00 C ATOM 232 CD1 PHE A 18 -4.141 15.615 5.800 1.00 0.00 C ATOM 233 CD2 PHE A 18 -1.825 15.255 6.234 1.00 0.00 C ATOM 234 CE1 PHE A 18 -3.861 16.888 5.339 1.00 0.00 C ATOM 235 CE2 PHE A 18 -1.538 16.526 5.775 1.00 0.00 C ATOM 236 CZ PHE A 18 -2.557 17.344 5.326 1.00 0.00 C ATOM 0 H PHE A 18 -5.131 13.498 4.955 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.555 12.315 5.121 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.387 13.423 7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.673 13.106 7.470 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.162 15.263 5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.024 14.620 6.583 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.660 17.525 4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.518 16.880 5.767 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.335 18.338 4.966 1.00 0.00 H new ATOM 246 N CYS A 19 -2.809 10.090 6.152 1.00 0.00 N ATOM 247 CA CYS A 19 -2.948 8.740 6.685 1.00 0.00 C ATOM 248 C CYS A 19 -3.468 8.772 8.119 1.00 0.00 C ATOM 249 O CYS A 19 -3.214 9.721 8.860 1.00 0.00 O ATOM 250 CB CYS A 19 -1.606 8.008 6.633 1.00 0.00 C ATOM 251 SG CYS A 19 -1.642 6.337 7.356 1.00 0.00 S ATOM 0 H CYS A 19 -1.907 10.280 5.715 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.670 8.205 6.068 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.284 7.936 5.594 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.859 8.603 7.158 1.00 0.00 H new ATOM 256 N GLU A 20 -4.196 7.728 8.503 1.00 0.00 N ATOM 257 CA GLU A 20 -4.751 7.637 9.848 1.00 0.00 C ATOM 258 C GLU A 20 -3.918 6.700 10.718 1.00 0.00 C ATOM 259 O GLU A 20 -3.681 6.977 11.894 1.00 0.00 O ATOM 260 CB GLU A 20 -6.200 7.148 9.794 1.00 0.00 C ATOM 261 CG GLU A 20 -7.204 8.250 9.499 1.00 0.00 C ATOM 262 CD GLU A 20 -7.621 9.007 10.745 1.00 0.00 C ATOM 263 OE1 GLU A 20 -6.731 9.508 11.463 1.00 0.00 O ATOM 264 OE2 GLU A 20 -8.840 9.098 11.003 1.00 0.00 O ATOM 0 H GLU A 20 -4.415 6.934 7.902 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.728 8.633 10.291 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.286 6.376 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.453 6.683 10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.772 8.948 8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.087 7.816 9.029 1.00 0.00 H new ATOM 271 N ILE A 21 -3.479 5.592 10.132 1.00 0.00 N ATOM 272 CA ILE A 21 -2.674 4.615 10.853 1.00 0.00 C ATOM 273 C ILE A 21 -1.561 5.295 11.643 1.00 0.00 C ATOM 274 O ILE A 21 -1.531 5.234 12.873 1.00 0.00 O ATOM 275 CB ILE A 21 -2.050 3.583 9.895 1.00 0.00 C ATOM 276 CG1 ILE A 21 -3.144 2.862 9.104 1.00 0.00 C ATOM 277 CG2 ILE A 21 -1.204 2.583 10.670 1.00 0.00 C ATOM 278 CD1 ILE A 21 -2.614 2.049 7.943 1.00 0.00 C ATOM 0 H ILE A 21 -3.667 5.348 9.160 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.344 4.101 11.542 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.404 4.108 9.191 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.694 2.204 9.777 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.854 3.598 8.727 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.770 1.861 9.979 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.406 3.110 11.193 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.830 2.061 11.394 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.444 1.566 7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.089 2.705 7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.926 1.289 8.315 1.00 0.00 H new ATOM 290 N CYS A 22 -0.648 5.945 10.929 1.00 0.00 N ATOM 291 CA CYS A 22 0.466 6.639 11.563 1.00 0.00 C ATOM 292 C CYS A 22 0.158 8.124 11.730 1.00 0.00 C ATOM 293 O CYS A 22 0.453 8.717 12.767 1.00 0.00 O ATOM 294 CB CYS A 22 1.741 6.462 10.736 1.00 0.00 C ATOM 295 SG CYS A 22 1.669 7.229 9.085 1.00 0.00 S ATOM 0 H CYS A 22 -0.658 6.005 9.911 1.00 0.00 H new ATOM 0 HA CYS A 22 0.617 6.204 12.551 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.580 6.888 11.286 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.942 5.397 10.622 1.00 0.00 H new ATOM 300 N GLY A 23 -0.438 8.719 10.701 1.00 0.00 N ATOM 301 CA GLY A 23 -0.777 10.129 10.754 1.00 0.00 C ATOM 302 C GLY A 23 -0.165 10.916 9.612 1.00 0.00 C ATOM 303 O GLY A 23 -0.797 11.818 9.062 1.00 0.00 O ATOM 0 H GLY A 23 -0.692 8.250 9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.861 10.240 10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.437 10.546 11.702 1.00 0.00 H new ATOM 307 N ASP A 24 1.068 10.575 9.256 1.00 0.00 N ATOM 308 CA ASP A 24 1.767 11.257 8.172 1.00 0.00 C ATOM 309 C ASP A 24 0.821 11.541 7.010 1.00 0.00 C ATOM 310 O ASP A 24 -0.247 10.938 6.906 1.00 0.00 O ATOM 311 CB ASP A 24 2.949 10.415 7.690 1.00 0.00 C ATOM 312 CG ASP A 24 4.094 11.265 7.175 1.00 0.00 C ATOM 313 OD1 ASP A 24 4.505 12.203 7.890 1.00 0.00 O ATOM 314 OD2 ASP A 24 4.580 10.992 6.058 1.00 0.00 O ATOM 0 H ASP A 24 1.605 9.831 9.702 1.00 0.00 H new ATOM 0 HA ASP A 24 2.140 12.207 8.554 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.304 9.790 8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.614 9.744 6.899 1.00 0.00 H new ATOM 319 N GLN A 25 1.221 12.462 6.140 1.00 0.00 N ATOM 320 CA GLN A 25 0.407 12.827 4.986 1.00 0.00 C ATOM 321 C GLN A 25 0.661 11.879 3.819 1.00 0.00 C ATOM 322 O GLN A 25 1.796 11.727 3.366 1.00 0.00 O ATOM 323 CB GLN A 25 0.702 14.267 4.562 1.00 0.00 C ATOM 324 CG GLN A 25 -0.230 14.785 3.478 1.00 0.00 C ATOM 325 CD GLN A 25 0.206 16.129 2.928 1.00 0.00 C ATOM 326 OE1 GLN A 25 0.618 17.015 3.676 1.00 0.00 O ATOM 327 NE2 GLN A 25 0.117 16.287 1.612 1.00 0.00 N ATOM 0 H GLN A 25 2.103 12.969 6.212 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.641 12.748 5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.628 14.916 5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.730 14.329 4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.274 14.061 2.665 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.239 14.872 3.882 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.230 15.525 1.029 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.396 17.170 1.184 1.00 0.00 H new ATOM 336 N ILE A 26 -0.401 11.244 3.337 1.00 0.00 N ATOM 337 CA ILE A 26 -0.293 10.311 2.222 1.00 0.00 C ATOM 338 C ILE A 26 0.144 11.026 0.948 1.00 0.00 C ATOM 339 O ILE A 26 -0.551 11.912 0.451 1.00 0.00 O ATOM 340 CB ILE A 26 -1.627 9.588 1.960 1.00 0.00 C ATOM 341 CG1 ILE A 26 -2.038 8.770 3.186 1.00 0.00 C ATOM 342 CG2 ILE A 26 -1.515 8.695 0.734 1.00 0.00 C ATOM 343 CD1 ILE A 26 -3.411 8.147 3.065 1.00 0.00 C ATOM 0 H ILE A 26 -1.347 11.358 3.701 1.00 0.00 H new ATOM 0 HA ILE A 26 0.461 9.574 2.500 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.397 10.336 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.303 7.981 3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.016 9.413 4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.466 8.191 0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.264 9.301 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.735 7.951 0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.635 7.582 3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.156 8.931 2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.432 7.477 2.205 1.00 0.00 H new ATOM 355 N GLY A 27 1.300 10.633 0.421 1.00 0.00 N ATOM 356 CA GLY A 27 1.808 11.245 -0.792 1.00 0.00 C ATOM 357 C GLY A 27 0.904 11.006 -1.985 1.00 0.00 C ATOM 358 O GLY A 27 -0.320 10.996 -1.854 1.00 0.00 O ATOM 0 H GLY A 27 1.893 9.902 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.920 12.318 -0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.800 10.849 -1.007 1.00 0.00 H new ATOM 362 N LEU A 28 1.507 10.815 -3.153 1.00 0.00 N ATOM 363 CA LEU A 28 0.748 10.576 -4.376 1.00 0.00 C ATOM 364 C LEU A 28 1.121 9.233 -4.995 1.00 0.00 C ATOM 365 O LEU A 28 2.051 8.564 -4.542 1.00 0.00 O ATOM 366 CB LEU A 28 0.998 11.701 -5.383 1.00 0.00 C ATOM 367 CG LEU A 28 0.770 13.123 -4.870 1.00 0.00 C ATOM 368 CD1 LEU A 28 1.202 14.142 -5.913 1.00 0.00 C ATOM 369 CD2 LEU A 28 -0.691 13.327 -4.497 1.00 0.00 C ATOM 0 H LEU A 28 2.519 10.821 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.311 10.555 -4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.026 11.624 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.352 11.539 -6.246 1.00 0.00 H new ATOM 0 HG LEU A 28 1.377 13.268 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.032 15.148 -5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.262 14.011 -6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.622 13.998 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.835 14.345 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.317 13.163 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.969 12.620 -3.715 1.00 0.00 H new ATOM 381 N THR A 29 0.390 8.842 -6.035 1.00 0.00 N ATOM 382 CA THR A 29 0.643 7.580 -6.717 1.00 0.00 C ATOM 383 C THR A 29 1.692 7.746 -7.810 1.00 0.00 C ATOM 384 O THR A 29 2.278 8.818 -7.965 1.00 0.00 O ATOM 385 CB THR A 29 -0.645 7.009 -7.339 1.00 0.00 C ATOM 386 OG1 THR A 29 -1.109 7.872 -8.383 1.00 0.00 O ATOM 387 CG2 THR A 29 -1.731 6.850 -6.286 1.00 0.00 C ATOM 0 H THR A 29 -0.383 9.383 -6.423 1.00 0.00 H new ATOM 0 HA THR A 29 1.014 6.884 -5.965 1.00 0.00 H new ATOM 0 HB THR A 29 -0.417 6.027 -7.754 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.493 8.683 -7.990 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.631 6.445 -6.749 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.386 6.169 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.955 7.821 -5.845 1.00 0.00 H new ATOM 395 N VAL A 30 1.924 6.680 -8.568 1.00 0.00 N ATOM 396 CA VAL A 30 2.902 6.709 -9.650 1.00 0.00 C ATOM 397 C VAL A 30 2.490 7.696 -10.736 1.00 0.00 C ATOM 398 O VAL A 30 3.335 8.234 -11.451 1.00 0.00 O ATOM 399 CB VAL A 30 3.083 5.315 -10.280 1.00 0.00 C ATOM 400 CG1 VAL A 30 3.921 5.406 -11.546 1.00 0.00 C ATOM 401 CG2 VAL A 30 3.715 4.357 -9.281 1.00 0.00 C ATOM 0 H VAL A 30 1.448 5.785 -8.453 1.00 0.00 H new ATOM 0 HA VAL A 30 3.848 7.028 -9.213 1.00 0.00 H new ATOM 0 HB VAL A 30 2.101 4.927 -10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.038 4.412 -11.977 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.424 6.057 -12.265 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.902 5.815 -11.304 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.836 3.377 -9.743 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.690 4.738 -8.979 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.072 4.269 -8.405 1.00 0.00 H new ATOM 411 N GLU A 31 1.187 7.929 -10.854 1.00 0.00 N ATOM 412 CA GLU A 31 0.664 8.852 -11.854 1.00 0.00 C ATOM 413 C GLU A 31 0.567 10.267 -11.291 1.00 0.00 C ATOM 414 O GLU A 31 1.031 11.225 -11.907 1.00 0.00 O ATOM 415 CB GLU A 31 -0.712 8.388 -12.338 1.00 0.00 C ATOM 416 CG GLU A 31 -0.653 7.233 -13.323 1.00 0.00 C ATOM 417 CD GLU A 31 0.009 7.616 -14.632 1.00 0.00 C ATOM 418 OE1 GLU A 31 -0.709 8.066 -15.550 1.00 0.00 O ATOM 419 OE2 GLU A 31 1.244 7.467 -14.739 1.00 0.00 O ATOM 0 H GLU A 31 0.474 7.492 -10.270 1.00 0.00 H new ATOM 0 HA GLU A 31 1.354 8.862 -12.698 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.309 8.090 -11.476 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.225 9.228 -12.806 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.107 6.404 -12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.664 6.878 -13.522 1.00 0.00 H new ATOM 426 N GLY A 32 -0.042 10.389 -10.115 1.00 0.00 N ATOM 427 CA GLY A 32 -0.190 11.690 -9.488 1.00 0.00 C ATOM 428 C GLY A 32 -1.332 11.726 -8.492 1.00 0.00 C ATOM 429 O GLY A 32 -1.277 12.455 -7.501 1.00 0.00 O ATOM 0 H GLY A 32 -0.435 9.611 -9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.738 11.954 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.359 12.444 -10.257 1.00 0.00 H new ATOM 433 N ASP A 33 -2.370 10.940 -8.755 1.00 0.00 N ATOM 434 CA ASP A 33 -3.531 10.885 -7.874 1.00 0.00 C ATOM 435 C ASP A 33 -3.119 10.503 -6.456 1.00 0.00 C ATOM 436 O ASP A 33 -2.074 9.886 -6.246 1.00 0.00 O ATOM 437 CB ASP A 33 -4.557 9.885 -8.408 1.00 0.00 C ATOM 438 CG ASP A 33 -5.139 10.309 -9.742 1.00 0.00 C ATOM 439 OD1 ASP A 33 -5.937 11.270 -9.762 1.00 0.00 O ATOM 440 OD2 ASP A 33 -4.798 9.680 -10.766 1.00 0.00 O ATOM 0 H ASP A 33 -2.431 10.332 -9.572 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.983 11.876 -7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.086 8.908 -8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.363 9.773 -7.682 1.00 0.00 H new ATOM 445 N LEU A 34 -3.947 10.873 -5.485 1.00 0.00 N ATOM 446 CA LEU A 34 -3.669 10.569 -4.085 1.00 0.00 C ATOM 447 C LEU A 34 -3.660 9.063 -3.846 1.00 0.00 C ATOM 448 O LEU A 34 -4.628 8.368 -4.158 1.00 0.00 O ATOM 449 CB LEU A 34 -4.709 11.234 -3.182 1.00 0.00 C ATOM 450 CG LEU A 34 -4.403 11.222 -1.684 1.00 0.00 C ATOM 451 CD1 LEU A 34 -4.147 9.803 -1.203 1.00 0.00 C ATOM 452 CD2 LEU A 34 -3.210 12.115 -1.376 1.00 0.00 C ATOM 0 H LEU A 34 -4.816 11.384 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.682 10.962 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.828 12.270 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.668 10.740 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.271 11.613 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.931 9.814 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.030 9.191 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.296 9.384 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.007 12.094 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.336 11.754 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.432 13.137 -1.683 1.00 0.00 H new ATOM 464 N PHE A 35 -2.562 8.563 -3.289 1.00 0.00 N ATOM 465 CA PHE A 35 -2.428 7.139 -3.006 1.00 0.00 C ATOM 466 C PHE A 35 -3.606 6.636 -2.177 1.00 0.00 C ATOM 467 O PHE A 35 -3.605 6.739 -0.950 1.00 0.00 O ATOM 468 CB PHE A 35 -1.116 6.865 -2.268 1.00 0.00 C ATOM 469 CG PHE A 35 -0.864 5.407 -2.014 1.00 0.00 C ATOM 470 CD1 PHE A 35 -0.777 4.511 -3.067 1.00 0.00 C ATOM 471 CD2 PHE A 35 -0.714 4.931 -0.721 1.00 0.00 C ATOM 472 CE1 PHE A 35 -0.547 3.168 -2.836 1.00 0.00 C ATOM 473 CE2 PHE A 35 -0.483 3.589 -0.483 1.00 0.00 C ATOM 474 CZ PHE A 35 -0.398 2.707 -1.542 1.00 0.00 C ATOM 0 H PHE A 35 -1.752 9.123 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.421 6.604 -3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.289 7.272 -2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.127 7.395 -1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.890 4.866 -4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.778 5.617 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.484 2.480 -3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.369 3.231 0.530 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.215 1.658 -1.359 1.00 0.00 H new ATOM 484 N VAL A 36 -4.610 6.091 -2.856 1.00 0.00 N ATOM 485 CA VAL A 36 -5.794 5.571 -2.184 1.00 0.00 C ATOM 486 C VAL A 36 -5.617 4.102 -1.816 1.00 0.00 C ATOM 487 O VAL A 36 -6.118 3.214 -2.506 1.00 0.00 O ATOM 488 CB VAL A 36 -7.050 5.721 -3.063 1.00 0.00 C ATOM 489 CG1 VAL A 36 -8.265 5.129 -2.364 1.00 0.00 C ATOM 490 CG2 VAL A 36 -7.285 7.183 -3.411 1.00 0.00 C ATOM 0 H VAL A 36 -4.627 5.998 -3.872 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.924 6.157 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.891 5.171 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -9.143 5.244 -3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.093 4.070 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.430 5.648 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.176 7.270 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.423 7.757 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.424 7.570 -3.955 1.00 0.00 H new ATOM 500 N ALA A 37 -4.901 3.853 -0.725 1.00 0.00 N ATOM 501 CA ALA A 37 -4.659 2.491 -0.264 1.00 0.00 C ATOM 502 C ALA A 37 -5.928 1.650 -0.348 1.00 0.00 C ATOM 503 O ALA A 37 -5.995 0.683 -1.107 1.00 0.00 O ATOM 504 CB ALA A 37 -4.125 2.504 1.161 1.00 0.00 C ATOM 0 H ALA A 37 -4.478 4.576 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.912 2.040 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.949 1.481 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.190 3.062 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.854 2.978 1.818 1.00 0.00 H new ATOM 510 N CYS A 38 -6.933 2.023 0.438 1.00 0.00 N ATOM 511 CA CYS A 38 -8.200 1.303 0.453 1.00 0.00 C ATOM 512 C CYS A 38 -9.286 2.095 -0.270 1.00 0.00 C ATOM 513 O CYS A 38 -9.325 3.322 -0.197 1.00 0.00 O ATOM 514 CB CYS A 38 -8.633 1.021 1.894 1.00 0.00 C ATOM 515 SG CYS A 38 -9.851 -0.325 2.055 1.00 0.00 S ATOM 0 H CYS A 38 -6.894 2.820 1.073 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.057 0.357 -0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.752 0.771 2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.055 1.931 2.320 1.00 0.00 H new ATOM 520 N ASN A 39 -10.165 1.383 -0.967 1.00 0.00 N ATOM 521 CA ASN A 39 -11.251 2.019 -1.704 1.00 0.00 C ATOM 522 C ASN A 39 -12.608 1.558 -1.179 1.00 0.00 C ATOM 523 O ASN A 39 -13.542 2.351 -1.066 1.00 0.00 O ATOM 524 CB ASN A 39 -11.135 1.705 -3.197 1.00 0.00 C ATOM 525 CG ASN A 39 -12.461 1.839 -3.920 1.00 0.00 C ATOM 526 OD1 ASN A 39 -13.010 0.857 -4.421 1.00 0.00 O ATOM 527 ND2 ASN A 39 -12.982 3.059 -3.979 1.00 0.00 N ATOM 0 H ASN A 39 -10.147 0.366 -1.037 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.173 3.097 -1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.407 2.377 -3.651 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.756 0.691 -3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.872 3.211 -4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.492 3.844 -3.550 1.00 0.00 H new ATOM 534 N GLU A 40 -12.707 0.271 -0.861 1.00 0.00 N ATOM 535 CA GLU A 40 -13.949 -0.295 -0.349 1.00 0.00 C ATOM 536 C GLU A 40 -14.548 0.598 0.734 1.00 0.00 C ATOM 537 O GLU A 40 -15.682 1.063 0.613 1.00 0.00 O ATOM 538 CB GLU A 40 -13.704 -1.698 0.210 1.00 0.00 C ATOM 539 CG GLU A 40 -14.977 -2.429 0.601 1.00 0.00 C ATOM 540 CD GLU A 40 -15.577 -1.906 1.892 1.00 0.00 C ATOM 541 OE1 GLU A 40 -14.882 -1.944 2.928 1.00 0.00 O ATOM 542 OE2 GLU A 40 -16.743 -1.457 1.865 1.00 0.00 O ATOM 0 H GLU A 40 -11.943 -0.399 -0.949 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.657 -0.359 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.170 -2.288 -0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.055 -1.624 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.709 -2.331 -0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.762 -3.492 0.709 1.00 0.00 H new ATOM 549 N CYS A 41 -13.779 0.833 1.791 1.00 0.00 N ATOM 550 CA CYS A 41 -14.232 1.668 2.897 1.00 0.00 C ATOM 551 C CYS A 41 -13.679 3.085 2.770 1.00 0.00 C ATOM 552 O CYS A 41 -14.375 4.061 3.044 1.00 0.00 O ATOM 553 CB CYS A 41 -13.804 1.059 4.233 1.00 0.00 C ATOM 554 SG CYS A 41 -12.101 1.475 4.728 1.00 0.00 S ATOM 0 H CYS A 41 -12.838 0.457 1.905 1.00 0.00 H new ATOM 0 HA CYS A 41 -15.320 1.717 2.861 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.490 1.397 5.010 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -13.899 -0.025 4.173 1.00 0.00 H new ATOM 559 N GLY A 42 -12.421 3.188 2.352 1.00 0.00 N ATOM 560 CA GLY A 42 -11.794 4.487 2.197 1.00 0.00 C ATOM 561 C GLY A 42 -10.840 4.811 3.329 1.00 0.00 C ATOM 562 O GLY A 42 -10.679 5.973 3.702 1.00 0.00 O ATOM 0 H GLY A 42 -11.825 2.394 2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.253 4.515 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.566 5.255 2.146 1.00 0.00 H new ATOM 566 N PHE A 43 -10.206 3.780 3.879 1.00 0.00 N ATOM 567 CA PHE A 43 -9.264 3.960 4.977 1.00 0.00 C ATOM 568 C PHE A 43 -7.960 4.578 4.481 1.00 0.00 C ATOM 569 O PHE A 43 -7.261 4.017 3.637 1.00 0.00 O ATOM 570 CB PHE A 43 -8.980 2.620 5.658 1.00 0.00 C ATOM 571 CG PHE A 43 -8.110 2.739 6.877 1.00 0.00 C ATOM 572 CD1 PHE A 43 -8.471 3.573 7.923 1.00 0.00 C ATOM 573 CD2 PHE A 43 -6.933 2.015 6.977 1.00 0.00 C ATOM 574 CE1 PHE A 43 -7.672 3.685 9.045 1.00 0.00 C ATOM 575 CE2 PHE A 43 -6.130 2.123 8.097 1.00 0.00 C ATOM 576 CZ PHE A 43 -6.501 2.958 9.133 1.00 0.00 C ATOM 0 H PHE A 43 -10.328 2.812 3.582 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.714 4.639 5.701 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.926 2.157 5.940 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.500 1.953 4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.387 4.142 7.861 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.640 1.359 6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.963 4.341 9.852 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.214 1.555 8.162 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.877 3.042 10.010 1.00 0.00 H new ATOM 586 N PRO A 44 -7.625 5.761 5.016 1.00 0.00 N ATOM 587 CA PRO A 44 -6.404 6.481 4.642 1.00 0.00 C ATOM 588 C PRO A 44 -5.144 5.786 5.146 1.00 0.00 C ATOM 589 O PRO A 44 -4.871 5.769 6.346 1.00 0.00 O ATOM 590 CB PRO A 44 -6.573 7.842 5.323 1.00 0.00 C ATOM 591 CG PRO A 44 -7.481 7.579 6.474 1.00 0.00 C ATOM 592 CD PRO A 44 -8.412 6.487 6.027 1.00 0.00 C ATOM 0 HA PRO A 44 -6.281 6.542 3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.615 8.239 5.657 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.001 8.576 4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.916 7.274 7.355 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.035 8.477 6.747 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.698 5.839 6.855 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.333 6.891 5.606 1.00 0.00 H new ATOM 600 N ALA A 45 -4.380 5.214 4.222 1.00 0.00 N ATOM 601 CA ALA A 45 -3.147 4.519 4.572 1.00 0.00 C ATOM 602 C ALA A 45 -2.033 4.845 3.583 1.00 0.00 C ATOM 603 O ALA A 45 -2.118 4.507 2.402 1.00 0.00 O ATOM 604 CB ALA A 45 -3.384 3.018 4.627 1.00 0.00 C ATOM 0 H ALA A 45 -4.593 5.218 3.225 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.834 4.862 5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.455 2.512 4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.142 2.797 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.725 2.668 3.653 1.00 0.00 H new ATOM 610 N CYS A 46 -0.988 5.505 4.072 1.00 0.00 N ATOM 611 CA CYS A 46 0.143 5.877 3.232 1.00 0.00 C ATOM 612 C CYS A 46 0.745 4.650 2.553 1.00 0.00 C ATOM 613 O CYS A 46 0.212 3.545 2.660 1.00 0.00 O ATOM 614 CB CYS A 46 1.212 6.588 4.064 1.00 0.00 C ATOM 615 SG CYS A 46 1.818 5.617 5.481 1.00 0.00 S ATOM 0 H CYS A 46 -0.902 5.793 5.047 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.219 6.556 2.460 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.055 6.834 3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.805 7.530 4.430 1.00 0.00 H new ATOM 620 N ARG A 47 1.857 4.852 1.855 1.00 0.00 N ATOM 621 CA ARG A 47 2.531 3.763 1.158 1.00 0.00 C ATOM 622 C ARG A 47 3.147 2.781 2.151 1.00 0.00 C ATOM 623 O ARG A 47 2.910 1.574 2.096 1.00 0.00 O ATOM 624 CB ARG A 47 3.615 4.316 0.231 1.00 0.00 C ATOM 625 CG ARG A 47 3.697 3.598 -1.106 1.00 0.00 C ATOM 626 CD ARG A 47 4.311 4.485 -2.178 1.00 0.00 C ATOM 627 NE ARG A 47 5.260 5.443 -1.618 1.00 0.00 N ATOM 628 CZ ARG A 47 4.931 6.678 -1.257 1.00 0.00 C ATOM 629 NH1 ARG A 47 3.683 7.103 -1.396 1.00 0.00 N ATOM 630 NH2 ARG A 47 5.852 7.491 -0.755 1.00 0.00 N ATOM 0 H ARG A 47 2.311 5.760 1.757 1.00 0.00 H new ATOM 0 HA ARG A 47 1.789 3.232 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.425 5.375 0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.580 4.245 0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.292 2.691 -0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.699 3.289 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.817 3.863 -2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.520 5.022 -2.701 1.00 0.00 H new ATOM 0 HE ARG A 47 6.229 5.148 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.972 6.481 -1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.433 8.052 -1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.813 7.167 -0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.599 8.439 -0.478 1.00 0.00 H new ATOM 644 N PRO A 48 3.957 3.309 3.080 1.00 0.00 N ATOM 645 CA PRO A 48 4.624 2.497 4.103 1.00 0.00 C ATOM 646 C PRO A 48 3.645 1.942 5.131 1.00 0.00 C ATOM 647 O PRO A 48 4.050 1.398 6.159 1.00 0.00 O ATOM 648 CB PRO A 48 5.592 3.483 4.763 1.00 0.00 C ATOM 649 CG PRO A 48 4.982 4.823 4.535 1.00 0.00 C ATOM 650 CD PRO A 48 4.285 4.740 3.205 1.00 0.00 C ATOM 0 HA PRO A 48 5.112 1.622 3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.704 3.275 5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.585 3.420 4.319 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.278 5.072 5.329 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.744 5.603 4.528 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.390 5.361 3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.928 5.077 2.392 1.00 0.00 H new ATOM 658 N CYS A 49 2.354 2.082 4.848 1.00 0.00 N ATOM 659 CA CYS A 49 1.316 1.594 5.749 1.00 0.00 C ATOM 660 C CYS A 49 0.512 0.474 5.095 1.00 0.00 C ATOM 661 O CYS A 49 0.146 -0.504 5.748 1.00 0.00 O ATOM 662 CB CYS A 49 0.384 2.738 6.152 1.00 0.00 C ATOM 663 SG CYS A 49 0.845 3.559 7.712 1.00 0.00 S ATOM 0 H CYS A 49 2.002 2.529 4.002 1.00 0.00 H new ATOM 0 HA CYS A 49 1.800 1.197 6.641 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.371 3.480 5.354 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.631 2.351 6.244 1.00 0.00 H new ATOM 668 N TYR A 50 0.241 0.623 3.804 1.00 0.00 N ATOM 669 CA TYR A 50 -0.521 -0.374 3.062 1.00 0.00 C ATOM 670 C TYR A 50 0.375 -1.529 2.623 1.00 0.00 C ATOM 671 O TYR A 50 0.020 -2.697 2.779 1.00 0.00 O ATOM 672 CB TYR A 50 -1.184 0.265 1.841 1.00 0.00 C ATOM 673 CG TYR A 50 -1.823 -0.737 0.905 1.00 0.00 C ATOM 674 CD1 TYR A 50 -1.048 -1.638 0.187 1.00 0.00 C ATOM 675 CD2 TYR A 50 -3.202 -0.783 0.741 1.00 0.00 C ATOM 676 CE1 TYR A 50 -1.627 -2.555 -0.670 1.00 0.00 C ATOM 677 CE2 TYR A 50 -3.790 -1.696 -0.112 1.00 0.00 C ATOM 678 CZ TYR A 50 -2.998 -2.580 -0.816 1.00 0.00 C ATOM 679 OH TYR A 50 -3.579 -3.492 -1.667 1.00 0.00 O ATOM 0 H TYR A 50 0.538 1.425 3.249 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.294 -0.768 3.722 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.943 0.970 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.438 0.839 1.291 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.026 -1.622 0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.825 -0.093 1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.009 -3.248 -1.222 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.864 -1.718 -0.227 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.896 -4.112 -1.998 1.00 0.00 H new ATOM 689 N GLU A 51 1.537 -1.191 2.074 1.00 0.00 N ATOM 690 CA GLU A 51 2.484 -2.199 1.612 1.00 0.00 C ATOM 691 C GLU A 51 2.825 -3.179 2.731 1.00 0.00 C ATOM 692 O GLU A 51 2.780 -4.395 2.541 1.00 0.00 O ATOM 693 CB GLU A 51 3.761 -1.533 1.096 1.00 0.00 C ATOM 694 CG GLU A 51 3.585 -0.830 -0.240 1.00 0.00 C ATOM 695 CD GLU A 51 4.869 -0.199 -0.741 1.00 0.00 C ATOM 696 OE1 GLU A 51 5.941 -0.510 -0.183 1.00 0.00 O ATOM 697 OE2 GLU A 51 4.800 0.608 -1.692 1.00 0.00 O ATOM 0 H GLU A 51 1.845 -0.228 1.938 1.00 0.00 H new ATOM 0 HA GLU A 51 2.017 -2.753 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.107 -0.810 1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.541 -2.288 0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.224 -1.546 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.820 -0.060 -0.143 1.00 0.00 H new ATOM 704 N TYR A 52 3.166 -2.641 3.896 1.00 0.00 N ATOM 705 CA TYR A 52 3.518 -3.467 5.046 1.00 0.00 C ATOM 706 C TYR A 52 2.397 -4.448 5.374 1.00 0.00 C ATOM 707 O TYR A 52 2.639 -5.638 5.577 1.00 0.00 O ATOM 708 CB TYR A 52 3.813 -2.587 6.261 1.00 0.00 C ATOM 709 CG TYR A 52 3.615 -3.294 7.583 1.00 0.00 C ATOM 710 CD1 TYR A 52 4.354 -4.425 7.906 1.00 0.00 C ATOM 711 CD2 TYR A 52 2.690 -2.829 8.510 1.00 0.00 C ATOM 712 CE1 TYR A 52 4.175 -5.075 9.112 1.00 0.00 C ATOM 713 CE2 TYR A 52 2.506 -3.471 9.719 1.00 0.00 C ATOM 714 CZ TYR A 52 3.251 -4.594 10.015 1.00 0.00 C ATOM 715 OH TYR A 52 3.071 -5.237 11.218 1.00 0.00 O ATOM 0 H TYR A 52 3.206 -1.637 4.070 1.00 0.00 H new ATOM 0 HA TYR A 52 4.412 -4.036 4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.841 -2.230 6.200 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.168 -1.709 6.228 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.081 -4.803 7.202 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.105 -1.951 8.281 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.756 -5.955 9.346 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.783 -3.096 10.429 1.00 0.00 H new ATOM 0 HH TYR A 52 2.385 -4.770 11.739 1.00 0.00 H new ATOM 725 N GLU A 53 1.170 -3.940 5.425 1.00 0.00 N ATOM 726 CA GLU A 53 0.011 -4.771 5.730 1.00 0.00 C ATOM 727 C GLU A 53 0.065 -6.084 4.954 1.00 0.00 C ATOM 728 O GLU A 53 -0.387 -7.122 5.439 1.00 0.00 O ATOM 729 CB GLU A 53 -1.282 -4.023 5.398 1.00 0.00 C ATOM 730 CG GLU A 53 -2.506 -4.582 6.104 1.00 0.00 C ATOM 731 CD GLU A 53 -2.588 -4.155 7.557 1.00 0.00 C ATOM 732 OE1 GLU A 53 -1.534 -4.132 8.228 1.00 0.00 O ATOM 733 OE2 GLU A 53 -3.704 -3.844 8.023 1.00 0.00 O ATOM 0 H GLU A 53 0.953 -2.957 5.259 1.00 0.00 H new ATOM 0 HA GLU A 53 0.028 -4.997 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.165 -2.974 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.446 -4.058 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.404 -4.253 5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.487 -5.670 6.050 1.00 0.00 H new ATOM 740 N ARG A 54 0.620 -6.030 3.748 1.00 0.00 N ATOM 741 CA ARG A 54 0.732 -7.214 2.904 1.00 0.00 C ATOM 742 C ARG A 54 2.068 -7.916 3.126 1.00 0.00 C ATOM 743 O ARG A 54 2.143 -9.145 3.127 1.00 0.00 O ATOM 744 CB ARG A 54 0.583 -6.832 1.431 1.00 0.00 C ATOM 745 CG ARG A 54 -0.862 -6.661 0.989 1.00 0.00 C ATOM 746 CD ARG A 54 -0.967 -5.772 -0.240 1.00 0.00 C ATOM 747 NE ARG A 54 -0.898 -6.540 -1.480 1.00 0.00 N ATOM 748 CZ ARG A 54 0.240 -6.944 -2.032 1.00 0.00 C ATOM 749 NH1 ARG A 54 1.399 -6.653 -1.458 1.00 0.00 N ATOM 750 NH2 ARG A 54 0.221 -7.640 -3.162 1.00 0.00 N ATOM 0 H ARG A 54 0.999 -5.179 3.333 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.069 -7.901 3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.122 -5.902 1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.054 -7.599 0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.295 -7.637 0.771 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.444 -6.229 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.906 -5.219 -0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.163 -5.036 -0.224 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.772 -6.779 -1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.418 -6.117 -0.590 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.272 -6.965 -1.884 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.669 -7.865 -3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.096 -7.950 -3.585 1.00 0.00 H new ATOM 764 N ARG A 55 3.121 -7.126 3.313 1.00 0.00 N ATOM 765 CA ARG A 55 4.455 -7.672 3.535 1.00 0.00 C ATOM 766 C ARG A 55 4.447 -8.682 4.678 1.00 0.00 C ATOM 767 O ARG A 55 4.698 -9.869 4.471 1.00 0.00 O ATOM 768 CB ARG A 55 5.445 -6.546 3.841 1.00 0.00 C ATOM 769 CG ARG A 55 6.816 -7.042 4.271 1.00 0.00 C ATOM 770 CD ARG A 55 7.474 -6.081 5.249 1.00 0.00 C ATOM 771 NE ARG A 55 8.929 -6.081 5.121 1.00 0.00 N ATOM 772 CZ ARG A 55 9.731 -5.311 5.849 1.00 0.00 C ATOM 773 NH1 ARG A 55 9.221 -4.485 6.752 1.00 0.00 N ATOM 774 NH2 ARG A 55 11.045 -5.368 5.675 1.00 0.00 N ATOM 0 H ARG A 55 3.076 -6.107 3.315 1.00 0.00 H new ATOM 0 HA ARG A 55 4.767 -8.184 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.555 -5.920 2.956 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.033 -5.915 4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.720 -8.025 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.452 -7.163 3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.095 -5.073 5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.200 -6.356 6.267 1.00 0.00 H new ATOM 0 HE ARG A 55 9.353 -6.706 4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.211 -4.440 6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.838 -3.895 7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.441 -6.003 4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.660 -4.777 6.234 1.00 0.00 H new ATOM 788 N GLU A 56 4.156 -8.202 5.883 1.00 0.00 N ATOM 789 CA GLU A 56 4.117 -9.064 7.059 1.00 0.00 C ATOM 790 C GLU A 56 2.753 -8.992 7.740 1.00 0.00 C ATOM 791 O GLU A 56 2.387 -9.876 8.514 1.00 0.00 O ATOM 792 CB GLU A 56 5.215 -8.666 8.047 1.00 0.00 C ATOM 793 CG GLU A 56 6.599 -9.146 7.645 1.00 0.00 C ATOM 794 CD GLU A 56 6.792 -10.632 7.875 1.00 0.00 C ATOM 795 OE1 GLU A 56 6.163 -11.431 7.151 1.00 0.00 O ATOM 796 OE2 GLU A 56 7.571 -10.995 8.781 1.00 0.00 O ATOM 0 H GLU A 56 3.944 -7.222 6.071 1.00 0.00 H new ATOM 0 HA GLU A 56 4.287 -10.090 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.230 -7.580 8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.971 -9.069 9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.766 -8.921 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.349 -8.594 8.211 1.00 0.00 H new ATOM 803 N GLY A 57 2.007 -7.932 7.447 1.00 0.00 N ATOM 804 CA GLY A 57 0.693 -7.763 8.040 1.00 0.00 C ATOM 805 C GLY A 57 -0.223 -8.940 7.765 1.00 0.00 C ATOM 806 O GLY A 57 0.240 -10.038 7.457 1.00 0.00 O ATOM 0 H GLY A 57 2.289 -7.187 6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.798 -7.632 9.117 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.237 -6.853 7.651 1.00 0.00 H new ATOM 810 N THR A 58 -1.528 -8.711 7.878 1.00 0.00 N ATOM 811 CA THR A 58 -2.510 -9.761 7.642 1.00 0.00 C ATOM 812 C THR A 58 -3.217 -9.563 6.306 1.00 0.00 C ATOM 813 O THR A 58 -4.159 -10.284 5.980 1.00 0.00 O ATOM 814 CB THR A 58 -3.563 -9.808 8.765 1.00 0.00 C ATOM 815 OG1 THR A 58 -4.300 -8.580 8.797 1.00 0.00 O ATOM 816 CG2 THR A 58 -2.904 -10.044 10.116 1.00 0.00 C ATOM 0 H THR A 58 -1.929 -7.808 8.131 1.00 0.00 H new ATOM 0 HA THR A 58 -1.965 -10.705 7.625 1.00 0.00 H new ATOM 0 HB THR A 58 -4.243 -10.635 8.561 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.969 -8.618 9.512 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.668 -10.073 10.893 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.368 -10.993 10.098 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.204 -9.235 10.326 1.00 0.00 H new ATOM 824 N GLN A 59 -2.756 -8.582 5.538 1.00 0.00 N ATOM 825 CA GLN A 59 -3.345 -8.290 4.237 1.00 0.00 C ATOM 826 C GLN A 59 -4.837 -7.999 4.367 1.00 0.00 C ATOM 827 O GLN A 59 -5.628 -8.360 3.497 1.00 0.00 O ATOM 828 CB GLN A 59 -3.124 -9.461 3.278 1.00 0.00 C ATOM 829 CG GLN A 59 -1.662 -9.845 3.114 1.00 0.00 C ATOM 830 CD GLN A 59 -1.477 -11.317 2.804 1.00 0.00 C ATOM 831 OE1 GLN A 59 -2.344 -12.140 3.099 1.00 0.00 O ATOM 832 NE2 GLN A 59 -0.343 -11.658 2.203 1.00 0.00 N ATOM 0 H GLN A 59 -1.977 -7.976 5.794 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.854 -7.403 3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.680 -10.326 3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.535 -9.203 2.302 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.222 -9.251 2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.121 -9.599 4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.349 -10.944 1.976 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.164 -12.634 1.968 1.00 0.00 H new ATOM 841 N ASN A 60 -5.214 -7.345 5.461 1.00 0.00 N ATOM 842 CA ASN A 60 -6.611 -7.007 5.707 1.00 0.00 C ATOM 843 C ASN A 60 -6.735 -5.610 6.308 1.00 0.00 C ATOM 844 O ASN A 60 -6.145 -5.315 7.347 1.00 0.00 O ATOM 845 CB ASN A 60 -7.249 -8.036 6.642 1.00 0.00 C ATOM 846 CG ASN A 60 -6.747 -9.443 6.383 1.00 0.00 C ATOM 847 OD1 ASN A 60 -6.659 -9.881 5.236 1.00 0.00 O ATOM 848 ND2 ASN A 60 -6.417 -10.159 7.452 1.00 0.00 N ATOM 0 H ASN A 60 -4.571 -7.039 6.191 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.136 -7.020 4.752 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.039 -7.763 7.676 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.332 -8.011 6.520 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.074 -11.113 7.341 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.506 -9.755 8.384 1.00 0.00 H new ATOM 855 N CYS A 61 -7.508 -4.755 5.647 1.00 0.00 N ATOM 856 CA CYS A 61 -7.711 -3.389 6.114 1.00 0.00 C ATOM 857 C CYS A 61 -8.115 -3.372 7.585 1.00 0.00 C ATOM 858 O CYS A 61 -9.066 -4.034 8.001 1.00 0.00 O ATOM 859 CB CYS A 61 -8.782 -2.693 5.271 1.00 0.00 C ATOM 860 SG CYS A 61 -9.094 -0.962 5.746 1.00 0.00 S ATOM 0 H CYS A 61 -8.004 -4.984 4.786 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.769 -2.851 6.008 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.481 -2.723 4.224 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.713 -3.254 5.351 1.00 0.00 H new ATOM 865 N PRO A 62 -7.377 -2.596 8.393 1.00 0.00 N ATOM 866 CA PRO A 62 -7.640 -2.473 9.830 1.00 0.00 C ATOM 867 C PRO A 62 -8.930 -1.715 10.120 1.00 0.00 C ATOM 868 O PRO A 62 -9.269 -1.470 11.277 1.00 0.00 O ATOM 869 CB PRO A 62 -6.431 -1.689 10.346 1.00 0.00 C ATOM 870 CG PRO A 62 -5.948 -0.918 9.166 1.00 0.00 C ATOM 871 CD PRO A 62 -6.228 -1.780 7.966 1.00 0.00 C ATOM 0 HA PRO A 62 -7.769 -3.445 10.306 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.709 -1.026 11.165 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.658 -2.358 10.725 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.463 0.039 9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.883 -0.701 9.251 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.465 -1.181 7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.369 -2.399 7.707 1.00 0.00 H new ATOM 879 N GLN A 63 -9.646 -1.347 9.062 1.00 0.00 N ATOM 880 CA GLN A 63 -10.899 -0.616 9.205 1.00 0.00 C ATOM 881 C GLN A 63 -12.075 -1.449 8.705 1.00 0.00 C ATOM 882 O GLN A 63 -13.111 -1.538 9.364 1.00 0.00 O ATOM 883 CB GLN A 63 -10.833 0.706 8.439 1.00 0.00 C ATOM 884 CG GLN A 63 -12.184 1.386 8.281 1.00 0.00 C ATOM 885 CD GLN A 63 -12.072 2.896 8.202 1.00 0.00 C ATOM 886 OE1 GLN A 63 -11.463 3.531 9.063 1.00 0.00 O ATOM 887 NE2 GLN A 63 -12.660 3.479 7.164 1.00 0.00 N ATOM 0 H GLN A 63 -9.380 -1.543 8.097 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.050 -0.407 10.264 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.153 1.383 8.957 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.410 0.523 7.451 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.670 1.014 7.379 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.823 1.116 9.122 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.154 2.913 6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.617 4.492 7.057 1.00 0.00 H new ATOM 896 N CYS A 64 -11.908 -2.057 7.536 1.00 0.00 N ATOM 897 CA CYS A 64 -12.955 -2.883 6.946 1.00 0.00 C ATOM 898 C CYS A 64 -12.482 -4.324 6.778 1.00 0.00 C ATOM 899 O CYS A 64 -13.289 -5.239 6.609 1.00 0.00 O ATOM 900 CB CYS A 64 -13.380 -2.313 5.591 1.00 0.00 C ATOM 901 SG CYS A 64 -12.069 -2.345 4.327 1.00 0.00 S ATOM 0 H CYS A 64 -11.057 -1.993 6.978 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.811 -2.877 7.621 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -14.237 -2.877 5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.711 -1.284 5.730 1.00 0.00 H new ATOM 906 N LYS A 65 -11.169 -4.519 6.827 1.00 0.00 N ATOM 907 CA LYS A 65 -10.586 -5.848 6.683 1.00 0.00 C ATOM 908 C LYS A 65 -10.977 -6.471 5.346 1.00 0.00 C ATOM 909 O LYS A 65 -11.403 -7.624 5.287 1.00 0.00 O ATOM 910 CB LYS A 65 -11.039 -6.753 7.831 1.00 0.00 C ATOM 911 CG LYS A 65 -10.413 -6.398 9.168 1.00 0.00 C ATOM 912 CD LYS A 65 -11.231 -5.352 9.906 1.00 0.00 C ATOM 913 CE LYS A 65 -10.838 -5.270 11.373 1.00 0.00 C ATOM 914 NZ LYS A 65 -11.590 -4.203 12.090 1.00 0.00 N ATOM 0 H LYS A 65 -10.487 -3.773 6.965 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.501 -5.747 6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.124 -6.697 7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.793 -7.786 7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.329 -7.295 9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.401 -6.025 9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.089 -4.379 9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.291 -5.594 9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.024 -6.231 11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.768 -5.076 11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.294 -4.179 13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.393 -3.282 11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.610 -4.401 12.037 1.00 0.00 H new ATOM 928 N THR A 66 -10.827 -5.700 4.273 1.00 0.00 N ATOM 929 CA THR A 66 -11.163 -6.177 2.937 1.00 0.00 C ATOM 930 C THR A 66 -9.932 -6.719 2.221 1.00 0.00 C ATOM 931 O THR A 66 -8.825 -6.208 2.394 1.00 0.00 O ATOM 932 CB THR A 66 -11.788 -5.058 2.083 1.00 0.00 C ATOM 933 OG1 THR A 66 -12.982 -4.573 2.708 1.00 0.00 O ATOM 934 CG2 THR A 66 -12.111 -5.561 0.684 1.00 0.00 C ATOM 0 H THR A 66 -10.475 -4.743 4.303 1.00 0.00 H new ATOM 0 HA THR A 66 -11.890 -6.979 3.061 1.00 0.00 H new ATOM 0 HB THR A 66 -11.065 -4.246 2.002 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.840 -3.653 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.551 -4.753 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.196 -5.902 0.200 1.00 0.00 H new ATOM 0 HG23 THR A 66 -12.817 -6.389 0.749 1.00 0.00 H new ATOM 942 N ARG A 67 -10.131 -7.758 1.416 1.00 0.00 N ATOM 943 CA ARG A 67 -9.036 -8.370 0.673 1.00 0.00 C ATOM 944 C ARG A 67 -8.205 -7.310 -0.044 1.00 0.00 C ATOM 945 O ARG A 67 -8.747 -6.438 -0.724 1.00 0.00 O ATOM 946 CB ARG A 67 -9.580 -9.379 -0.340 1.00 0.00 C ATOM 947 CG ARG A 67 -10.742 -8.848 -1.164 1.00 0.00 C ATOM 948 CD ARG A 67 -11.099 -9.795 -2.299 1.00 0.00 C ATOM 949 NE ARG A 67 -12.137 -9.244 -3.166 1.00 0.00 N ATOM 950 CZ ARG A 67 -11.917 -8.286 -4.059 1.00 0.00 C ATOM 951 NH1 ARG A 67 -10.702 -7.775 -4.202 1.00 0.00 N ATOM 952 NH2 ARG A 67 -12.913 -7.836 -4.811 1.00 0.00 N ATOM 0 H ARG A 67 -11.040 -8.193 1.262 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.394 -8.890 1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.775 -9.677 -1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.901 -10.276 0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.610 -8.706 -0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.484 -7.871 -1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.207 -10.005 -2.890 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.439 -10.745 -1.885 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.083 -9.615 -3.081 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.934 -8.118 -3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.536 -7.039 -4.889 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.849 -8.226 -4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.742 -7.100 -5.496 1.00 0.00 H new ATOM 966 N TYR A 68 -6.889 -7.391 0.114 1.00 0.00 N ATOM 967 CA TYR A 68 -5.984 -6.437 -0.515 1.00 0.00 C ATOM 968 C TYR A 68 -5.448 -6.984 -1.835 1.00 0.00 C ATOM 969 O TYR A 68 -5.542 -8.181 -2.109 1.00 0.00 O ATOM 970 CB TYR A 68 -4.821 -6.109 0.423 1.00 0.00 C ATOM 971 CG TYR A 68 -5.039 -4.857 1.242 1.00 0.00 C ATOM 972 CD1 TYR A 68 -6.321 -4.394 1.513 1.00 0.00 C ATOM 973 CD2 TYR A 68 -3.962 -4.135 1.743 1.00 0.00 C ATOM 974 CE1 TYR A 68 -6.524 -3.250 2.260 1.00 0.00 C ATOM 975 CE2 TYR A 68 -4.157 -2.990 2.491 1.00 0.00 C ATOM 976 CZ TYR A 68 -5.439 -2.552 2.747 1.00 0.00 C ATOM 977 OH TYR A 68 -5.637 -1.411 3.491 1.00 0.00 O ATOM 0 H TYR A 68 -6.425 -8.108 0.672 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.544 -5.525 -0.720 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.660 -6.951 1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.911 -5.994 -0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.173 -4.938 1.133 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.956 -4.475 1.544 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.527 -2.904 2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.309 -2.441 2.873 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.770 -1.040 3.758 1.00 0.00 H new ATOM 987 N LYS A 69 -4.884 -6.098 -2.649 1.00 0.00 N ATOM 988 CA LYS A 69 -4.330 -6.489 -3.940 1.00 0.00 C ATOM 989 C LYS A 69 -2.933 -5.908 -4.131 1.00 0.00 C ATOM 990 O LYS A 69 -2.431 -5.181 -3.274 1.00 0.00 O ATOM 991 CB LYS A 69 -5.247 -6.024 -5.074 1.00 0.00 C ATOM 992 CG LYS A 69 -5.569 -4.540 -5.026 1.00 0.00 C ATOM 993 CD LYS A 69 -4.485 -3.712 -5.695 1.00 0.00 C ATOM 994 CE LYS A 69 -4.371 -4.037 -7.177 1.00 0.00 C ATOM 995 NZ LYS A 69 -3.893 -2.868 -7.966 1.00 0.00 N ATOM 0 H LYS A 69 -4.799 -5.104 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.258 -7.576 -3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.775 -6.254 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.177 -6.591 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.524 -4.358 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.681 -4.224 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.706 -2.652 -5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.529 -3.899 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.685 -4.873 -7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.342 -4.357 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.352 -2.868 -8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.131 -1.989 -7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.862 -2.929 -8.088 1.00 0.00 H new ATOM 1009 N ARG A 70 -2.311 -6.233 -5.260 1.00 0.00 N ATOM 1010 CA ARG A 70 -0.972 -5.742 -5.563 1.00 0.00 C ATOM 1011 C ARG A 70 -1.030 -4.347 -6.177 1.00 0.00 C ATOM 1012 O ARG A 70 -1.263 -4.193 -7.376 1.00 0.00 O ATOM 1013 CB ARG A 70 -0.259 -6.702 -6.517 1.00 0.00 C ATOM 1014 CG ARG A 70 1.226 -6.855 -6.229 1.00 0.00 C ATOM 1015 CD ARG A 70 1.795 -8.102 -6.888 1.00 0.00 C ATOM 1016 NE ARG A 70 0.785 -9.144 -7.053 1.00 0.00 N ATOM 1017 CZ ARG A 70 0.451 -10.003 -6.097 1.00 0.00 C ATOM 1018 NH1 ARG A 70 1.045 -9.945 -4.913 1.00 0.00 N ATOM 1019 NH2 ARG A 70 -0.478 -10.922 -6.323 1.00 0.00 N ATOM 0 H ARG A 70 -2.713 -6.834 -5.980 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.413 -5.685 -4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.735 -7.681 -6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.388 -6.347 -7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.760 -5.976 -6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.386 -6.906 -5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.208 -7.841 -7.862 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.618 -8.487 -6.285 1.00 0.00 H new ATOM 0 HE ARG A 70 0.310 -9.216 -7.953 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.760 -9.240 -4.735 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.787 -10.606 -4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.937 -10.970 -7.232 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.733 -11.581 -5.587 1.00 0.00 H new ATOM 1033 N LEU A 71 -0.816 -3.332 -5.346 1.00 0.00 N ATOM 1034 CA LEU A 71 -0.844 -1.948 -5.806 1.00 0.00 C ATOM 1035 C LEU A 71 0.366 -1.641 -6.683 1.00 0.00 C ATOM 1036 O LEU A 71 1.186 -2.517 -6.955 1.00 0.00 O ATOM 1037 CB LEU A 71 -0.879 -0.993 -4.612 1.00 0.00 C ATOM 1038 CG LEU A 71 -1.877 -1.337 -3.506 1.00 0.00 C ATOM 1039 CD1 LEU A 71 -1.833 -0.291 -2.403 1.00 0.00 C ATOM 1040 CD2 LEU A 71 -3.283 -1.457 -4.075 1.00 0.00 C ATOM 0 H LEU A 71 -0.621 -3.442 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.746 -1.807 -6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.118 -0.954 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.105 0.008 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.597 -2.299 -3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.550 -0.553 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.831 -0.255 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.087 0.685 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.980 -1.702 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.573 -0.510 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.305 -2.244 -4.828 1.00 0.00 H new ATOM 1052 N ARG A 72 0.471 -0.390 -7.120 1.00 0.00 N ATOM 1053 CA ARG A 72 1.581 0.033 -7.965 1.00 0.00 C ATOM 1054 C ARG A 72 2.919 -0.299 -7.310 1.00 0.00 C ATOM 1055 O ARG A 72 3.806 -0.872 -7.942 1.00 0.00 O ATOM 1056 CB ARG A 72 1.496 1.535 -8.242 1.00 0.00 C ATOM 1057 CG ARG A 72 0.250 1.942 -9.012 1.00 0.00 C ATOM 1058 CD ARG A 72 -0.906 2.258 -8.076 1.00 0.00 C ATOM 1059 NE ARG A 72 -1.830 3.229 -8.655 1.00 0.00 N ATOM 1060 CZ ARG A 72 -3.091 3.368 -8.262 1.00 0.00 C ATOM 1061 NH1 ARG A 72 -3.576 2.603 -7.295 1.00 0.00 N ATOM 1062 NH2 ARG A 72 -3.870 4.275 -8.838 1.00 0.00 N ATOM 0 H ARG A 72 -0.199 0.348 -6.903 1.00 0.00 H new ATOM 0 HA ARG A 72 1.513 -0.508 -8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.519 2.073 -7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.377 1.843 -8.805 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.470 2.814 -9.627 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.039 1.139 -9.690 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.445 1.340 -7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.515 2.646 -7.135 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.488 3.834 -9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.980 1.905 -6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.545 2.712 -6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.500 4.866 -9.583 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.838 4.381 -8.536 1.00 0.00 H new ATOM 1076 N GLY A 73 3.058 0.067 -6.040 1.00 0.00 N ATOM 1077 CA GLY A 73 4.291 -0.199 -5.321 1.00 0.00 C ATOM 1078 C GLY A 73 4.282 -1.552 -4.638 1.00 0.00 C ATOM 1079 O GLY A 73 5.194 -2.357 -4.829 1.00 0.00 O ATOM 0 H GLY A 73 2.339 0.543 -5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.130 -0.151 -6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.449 0.580 -4.575 1.00 0.00 H new ATOM 1083 N SER A 74 3.252 -1.803 -3.837 1.00 0.00 N ATOM 1084 CA SER A 74 3.132 -3.065 -3.118 1.00 0.00 C ATOM 1085 C SER A 74 3.606 -4.230 -3.982 1.00 0.00 C ATOM 1086 O SER A 74 2.888 -4.723 -4.852 1.00 0.00 O ATOM 1087 CB SER A 74 1.682 -3.294 -2.685 1.00 0.00 C ATOM 1088 OG SER A 74 1.278 -2.332 -1.726 1.00 0.00 O ATOM 0 H SER A 74 2.488 -1.148 -3.670 1.00 0.00 H new ATOM 0 HA SER A 74 3.765 -3.011 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.027 -3.242 -3.555 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.578 -4.295 -2.267 1.00 0.00 H new ATOM 0 HG SER A 74 0.329 -2.459 -1.515 1.00 0.00 H new ATOM 1094 N PRO A 75 4.846 -4.680 -3.738 1.00 0.00 N ATOM 1095 CA PRO A 75 5.445 -5.792 -4.482 1.00 0.00 C ATOM 1096 C PRO A 75 4.789 -7.129 -4.155 1.00 0.00 C ATOM 1097 O PRO A 75 3.745 -7.176 -3.503 1.00 0.00 O ATOM 1098 CB PRO A 75 6.904 -5.784 -4.018 1.00 0.00 C ATOM 1099 CG PRO A 75 6.869 -5.151 -2.670 1.00 0.00 C ATOM 1100 CD PRO A 75 5.757 -4.139 -2.716 1.00 0.00 C ATOM 0 HA PRO A 75 5.325 -5.673 -5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.310 -6.794 -3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.535 -5.219 -4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.688 -5.895 -1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.821 -4.674 -2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.263 -4.040 -1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.125 -3.150 -2.989 1.00 0.00 H new ATOM 1108 N ARG A 76 5.408 -8.213 -4.610 1.00 0.00 N ATOM 1109 CA ARG A 76 4.883 -9.552 -4.366 1.00 0.00 C ATOM 1110 C ARG A 76 4.987 -9.915 -2.887 1.00 0.00 C ATOM 1111 O ARG A 76 5.914 -9.490 -2.197 1.00 0.00 O ATOM 1112 CB ARG A 76 5.638 -10.580 -5.209 1.00 0.00 C ATOM 1113 CG ARG A 76 5.050 -11.980 -5.133 1.00 0.00 C ATOM 1114 CD ARG A 76 5.965 -13.005 -5.786 1.00 0.00 C ATOM 1115 NE ARG A 76 5.672 -13.173 -7.207 1.00 0.00 N ATOM 1116 CZ ARG A 76 6.515 -13.730 -8.070 1.00 0.00 C ATOM 1117 NH1 ARG A 76 7.696 -14.170 -7.658 1.00 0.00 N ATOM 1118 NH2 ARG A 76 6.176 -13.848 -9.347 1.00 0.00 N ATOM 0 H ARG A 76 6.273 -8.191 -5.149 1.00 0.00 H new ATOM 0 HA ARG A 76 3.831 -9.561 -4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.642 -10.253 -6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.677 -10.613 -4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.885 -12.250 -4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.077 -11.994 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.003 -12.695 -5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.857 -13.963 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 76 4.771 -12.845 -7.556 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.959 -14.081 -6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.341 -14.597 -8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.268 -13.511 -9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.823 -14.276 -10.009 1.00 0.00 H new ATOM 1132 N VAL A 77 4.030 -10.703 -2.408 1.00 0.00 N ATOM 1133 CA VAL A 77 4.015 -11.124 -1.012 1.00 0.00 C ATOM 1134 C VAL A 77 3.414 -12.518 -0.866 1.00 0.00 C ATOM 1135 O VAL A 77 2.941 -13.106 -1.838 1.00 0.00 O ATOM 1136 CB VAL A 77 3.217 -10.139 -0.138 1.00 0.00 C ATOM 1137 CG1 VAL A 77 3.895 -8.778 -0.113 1.00 0.00 C ATOM 1138 CG2 VAL A 77 1.785 -10.021 -0.638 1.00 0.00 C ATOM 0 H VAL A 77 3.255 -11.063 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 77 5.051 -11.140 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 77 3.191 -10.525 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.317 -8.095 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.900 -8.880 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.955 -8.383 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.236 -9.321 -0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.787 -9.659 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.304 -10.998 -0.598 1.00 0.00 H new ATOM 1148 N GLU A 78 3.435 -13.040 0.357 1.00 0.00 N ATOM 1149 CA GLU A 78 2.892 -14.366 0.630 1.00 0.00 C ATOM 1150 C GLU A 78 1.367 -14.339 0.634 1.00 0.00 C ATOM 1151 O GLU A 78 0.740 -14.197 1.683 1.00 0.00 O ATOM 1152 CB GLU A 78 3.408 -14.885 1.974 1.00 0.00 C ATOM 1153 CG GLU A 78 4.852 -15.353 1.932 1.00 0.00 C ATOM 1154 CD GLU A 78 5.138 -16.453 2.937 1.00 0.00 C ATOM 1155 OE1 GLU A 78 5.156 -16.158 4.150 1.00 0.00 O ATOM 1156 OE2 GLU A 78 5.344 -17.608 2.509 1.00 0.00 O ATOM 0 H GLU A 78 3.822 -12.566 1.173 1.00 0.00 H new ATOM 0 HA GLU A 78 3.224 -15.037 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.312 -14.096 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.777 -15.711 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.085 -15.712 0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.510 -14.507 2.128 1.00 0.00 H new ATOM 1163 N GLY A 79 0.775 -14.474 -0.549 1.00 0.00 N ATOM 1164 CA GLY A 79 -0.672 -14.462 -0.661 1.00 0.00 C ATOM 1165 C GLY A 79 -1.145 -14.671 -2.086 1.00 0.00 C ATOM 1166 O GLY A 79 -2.162 -15.324 -2.320 1.00 0.00 O ATOM 0 H GLY A 79 1.272 -14.591 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.089 -15.243 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.054 -13.511 -0.290 1.00 0.00 H new ATOM 1170 N ASP A 80 -0.407 -14.114 -3.040 1.00 0.00 N ATOM 1171 CA ASP A 80 -0.758 -14.243 -4.450 1.00 0.00 C ATOM 1172 C ASP A 80 -1.347 -15.619 -4.740 1.00 0.00 C ATOM 1173 O ASP A 80 -2.328 -15.742 -5.474 1.00 0.00 O ATOM 1174 CB ASP A 80 0.473 -14.006 -5.327 1.00 0.00 C ATOM 1175 CG ASP A 80 0.236 -14.392 -6.773 1.00 0.00 C ATOM 1176 OD1 ASP A 80 -0.935 -14.379 -7.207 1.00 0.00 O ATOM 1177 OD2 ASP A 80 1.222 -14.706 -7.472 1.00 0.00 O ATOM 0 H ASP A 80 0.437 -13.569 -2.863 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.511 -13.490 -4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.755 -12.954 -5.276 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.312 -14.580 -4.933 1.00 0.00 H new ATOM 1182 N GLU A 81 -0.743 -16.651 -4.160 1.00 0.00 N ATOM 1183 CA GLU A 81 -1.208 -18.019 -4.359 1.00 0.00 C ATOM 1184 C GLU A 81 -0.605 -18.955 -3.316 1.00 0.00 C ATOM 1185 O GLU A 81 0.601 -18.933 -3.068 1.00 0.00 O ATOM 1186 CB GLU A 81 -0.847 -18.504 -5.765 1.00 0.00 C ATOM 1187 CG GLU A 81 -1.301 -19.925 -6.053 1.00 0.00 C ATOM 1188 CD GLU A 81 -2.788 -20.017 -6.336 1.00 0.00 C ATOM 1189 OE1 GLU A 81 -3.580 -19.501 -5.520 1.00 0.00 O ATOM 1190 OE2 GLU A 81 -3.159 -20.604 -7.373 1.00 0.00 O ATOM 0 H GLU A 81 0.069 -16.566 -3.549 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.292 -18.028 -4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.295 -17.833 -6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.233 -18.443 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.748 -20.313 -6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.057 -20.560 -5.201 1.00 0.00 H new ATOM 1197 N ASP A 82 -1.453 -19.777 -2.707 1.00 0.00 N ATOM 1198 CA ASP A 82 -1.006 -20.722 -1.691 1.00 0.00 C ATOM 1199 C ASP A 82 -1.292 -22.158 -2.121 1.00 0.00 C ATOM 1200 O ASP A 82 -1.918 -22.393 -3.153 1.00 0.00 O ATOM 1201 CB ASP A 82 -1.692 -20.430 -0.355 1.00 0.00 C ATOM 1202 CG ASP A 82 -0.919 -19.434 0.487 1.00 0.00 C ATOM 1203 OD1 ASP A 82 0.328 -19.504 0.494 1.00 0.00 O ATOM 1204 OD2 ASP A 82 -1.561 -18.584 1.138 1.00 0.00 O ATOM 0 H ASP A 82 -2.454 -19.808 -2.900 1.00 0.00 H new ATOM 0 HA ASP A 82 0.071 -20.606 -1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.694 -20.044 -0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.807 -21.360 0.202 1.00 0.00 H new ATOM 1209 N GLU A 83 -0.828 -23.113 -1.321 1.00 0.00 N ATOM 1210 CA GLU A 83 -1.032 -24.525 -1.620 1.00 0.00 C ATOM 1211 C GLU A 83 -2.422 -24.979 -1.181 1.00 0.00 C ATOM 1212 O GLU A 83 -2.579 -26.049 -0.594 1.00 0.00 O ATOM 1213 CB GLU A 83 0.036 -25.376 -0.930 1.00 0.00 C ATOM 1214 CG GLU A 83 0.154 -26.781 -1.496 1.00 0.00 C ATOM 1215 CD GLU A 83 0.697 -27.773 -0.485 1.00 0.00 C ATOM 1216 OE1 GLU A 83 -0.104 -28.317 0.303 1.00 0.00 O ATOM 1217 OE2 GLU A 83 1.925 -28.005 -0.483 1.00 0.00 O ATOM 0 H GLU A 83 -0.309 -22.934 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.949 -24.657 -2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.000 -24.876 -1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.194 -25.440 0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.826 -27.115 -1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.806 -26.764 -2.369 1.00 0.00 H new ATOM 1224 N GLU A 84 -3.425 -24.156 -1.471 1.00 0.00 N ATOM 1225 CA GLU A 84 -4.801 -24.472 -1.104 1.00 0.00 C ATOM 1226 C GLU A 84 -4.979 -24.449 0.411 1.00 0.00 C ATOM 1227 O GLU A 84 -5.595 -25.346 0.988 1.00 0.00 O ATOM 1228 CB GLU A 84 -5.196 -25.844 -1.655 1.00 0.00 C ATOM 1229 CG GLU A 84 -6.687 -26.127 -1.570 1.00 0.00 C ATOM 1230 CD GLU A 84 -7.465 -25.501 -2.710 1.00 0.00 C ATOM 1231 OE1 GLU A 84 -7.382 -24.266 -2.877 1.00 0.00 O ATOM 1232 OE2 GLU A 84 -8.158 -26.245 -3.435 1.00 0.00 O ATOM 0 H GLU A 84 -3.311 -23.267 -1.958 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.450 -23.713 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.880 -25.913 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.656 -26.616 -1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.849 -27.205 -1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.071 -25.750 -0.622 1.00 0.00 H new ATOM 1239 N ASP A 85 -4.436 -23.418 1.049 1.00 0.00 N ATOM 1240 CA ASP A 85 -4.535 -23.277 2.497 1.00 0.00 C ATOM 1241 C ASP A 85 -5.696 -22.363 2.876 1.00 0.00 C ATOM 1242 O ASP A 85 -5.515 -21.160 3.065 1.00 0.00 O ATOM 1243 CB ASP A 85 -3.228 -22.725 3.068 1.00 0.00 C ATOM 1244 CG ASP A 85 -2.121 -23.762 3.088 1.00 0.00 C ATOM 1245 OD1 ASP A 85 -2.183 -24.711 2.280 1.00 0.00 O ATOM 1246 OD2 ASP A 85 -1.194 -23.622 3.913 1.00 0.00 O ATOM 0 H ASP A 85 -3.923 -22.668 0.586 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.719 -24.264 2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.909 -21.868 2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.402 -22.364 4.082 1.00 0.00 H new ATOM 1251 N ILE A 86 -6.887 -22.942 2.984 1.00 0.00 N ATOM 1252 CA ILE A 86 -8.077 -22.179 3.340 1.00 0.00 C ATOM 1253 C ILE A 86 -8.381 -22.298 4.829 1.00 0.00 C ATOM 1254 O ILE A 86 -8.951 -23.293 5.279 1.00 0.00 O ATOM 1255 CB ILE A 86 -9.306 -22.646 2.537 1.00 0.00 C ATOM 1256 CG1 ILE A 86 -9.048 -22.501 1.036 1.00 0.00 C ATOM 1257 CG2 ILE A 86 -10.539 -21.854 2.947 1.00 0.00 C ATOM 1258 CD1 ILE A 86 -8.790 -21.075 0.602 1.00 0.00 C ATOM 0 H ILE A 86 -7.054 -23.936 2.830 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.869 -21.137 3.097 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.485 -23.699 2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.191 -23.116 0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.907 -22.889 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -11.399 -22.195 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -10.731 -22.004 4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -10.371 -20.794 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.615 -21.048 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.656 -20.459 0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.913 -20.690 1.122 1.00 0.00 H new ATOM 1270 N ASP A 87 -7.999 -21.277 5.588 1.00 0.00 N ATOM 1271 CA ASP A 87 -8.234 -21.265 7.028 1.00 0.00 C ATOM 1272 C ASP A 87 -7.810 -19.932 7.636 1.00 0.00 C ATOM 1273 O ASP A 87 -6.859 -19.302 7.174 1.00 0.00 O ATOM 1274 CB ASP A 87 -7.474 -22.411 7.699 1.00 0.00 C ATOM 1275 CG ASP A 87 -8.038 -22.758 9.063 1.00 0.00 C ATOM 1276 OD1 ASP A 87 -8.073 -21.866 9.936 1.00 0.00 O ATOM 1277 OD2 ASP A 87 -8.445 -23.923 9.257 1.00 0.00 O ATOM 0 H ASP A 87 -7.526 -20.447 5.231 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.302 -21.398 7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.511 -23.292 7.059 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.424 -22.136 7.802 1.00 0.00 H new ATOM 1282 N SER A 88 -8.523 -19.508 8.675 1.00 0.00 N ATOM 1283 CA SER A 88 -8.224 -18.248 9.344 1.00 0.00 C ATOM 1284 C SER A 88 -7.346 -18.478 10.570 1.00 0.00 C ATOM 1285 O SER A 88 -7.302 -19.579 11.118 1.00 0.00 O ATOM 1286 CB SER A 88 -9.519 -17.544 9.754 1.00 0.00 C ATOM 1287 OG SER A 88 -10.421 -17.460 8.665 1.00 0.00 O ATOM 0 H SER A 88 -9.312 -20.019 9.071 1.00 0.00 H new ATOM 0 HA SER A 88 -7.680 -17.614 8.644 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.986 -18.086 10.576 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.292 -16.543 10.120 1.00 0.00 H new ATOM 0 HG SER A 88 -11.241 -17.008 8.954 1.00 0.00 H new ATOM 1293 N GLY A 89 -6.649 -17.429 10.997 1.00 0.00 N ATOM 1294 CA GLY A 89 -5.781 -17.537 12.155 1.00 0.00 C ATOM 1295 C GLY A 89 -6.368 -16.869 13.383 1.00 0.00 C ATOM 1296 O GLY A 89 -6.972 -15.799 13.305 1.00 0.00 O ATOM 0 H GLY A 89 -6.670 -16.507 10.562 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.597 -18.590 12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.816 -17.085 11.925 1.00 0.00 H new ATOM 1300 N PRO A 90 -6.193 -17.507 14.549 1.00 0.00 N ATOM 1301 CA PRO A 90 -6.704 -16.987 15.821 1.00 0.00 C ATOM 1302 C PRO A 90 -5.955 -15.740 16.279 1.00 0.00 C ATOM 1303 O PRO A 90 -4.791 -15.812 16.673 1.00 0.00 O ATOM 1304 CB PRO A 90 -6.467 -18.141 16.798 1.00 0.00 C ATOM 1305 CG PRO A 90 -5.335 -18.910 16.208 1.00 0.00 C ATOM 1306 CD PRO A 90 -5.483 -18.786 14.717 1.00 0.00 C ATOM 0 HA PRO A 90 -7.748 -16.682 15.746 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.219 -17.772 17.793 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.357 -18.762 16.901 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.377 -18.510 16.540 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.369 -19.954 16.518 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.515 -18.777 14.217 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.050 -19.618 14.299 1.00 0.00 H new ATOM 1314 N SER A 91 -6.630 -14.596 16.225 1.00 0.00 N ATOM 1315 CA SER A 91 -6.028 -13.332 16.631 1.00 0.00 C ATOM 1316 C SER A 91 -5.710 -13.337 18.124 1.00 0.00 C ATOM 1317 O SER A 91 -4.583 -13.054 18.531 1.00 0.00 O ATOM 1318 CB SER A 91 -6.962 -12.167 16.301 1.00 0.00 C ATOM 1319 OG SER A 91 -7.164 -12.056 14.902 1.00 0.00 O ATOM 0 H SER A 91 -7.595 -14.519 15.904 1.00 0.00 H new ATOM 0 HA SER A 91 -5.097 -13.208 16.078 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.920 -12.312 16.800 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.540 -11.238 16.686 1.00 0.00 H new ATOM 0 HG SER A 91 -7.766 -11.305 14.717 1.00 0.00 H new ATOM 1325 N SER A 92 -6.713 -13.659 18.934 1.00 0.00 N ATOM 1326 CA SER A 92 -6.543 -13.697 20.382 1.00 0.00 C ATOM 1327 C SER A 92 -6.066 -12.347 20.909 1.00 0.00 C ATOM 1328 O SER A 92 -5.187 -12.279 21.767 1.00 0.00 O ATOM 1329 CB SER A 92 -5.547 -14.791 20.772 1.00 0.00 C ATOM 1330 OG SER A 92 -6.182 -16.055 20.849 1.00 0.00 O ATOM 0 H SER A 92 -7.651 -13.897 18.613 1.00 0.00 H new ATOM 0 HA SER A 92 -7.511 -13.921 20.831 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.740 -14.830 20.040 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.094 -14.549 21.733 1.00 0.00 H new ATOM 0 HG SER A 92 -5.524 -16.737 21.098 1.00 0.00 H new ATOM 1336 N GLY A 93 -6.653 -11.274 20.387 1.00 0.00 N ATOM 1337 CA GLY A 93 -6.275 -9.940 20.815 1.00 0.00 C ATOM 1338 C GLY A 93 -5.130 -9.372 20.001 1.00 0.00 C ATOM 1339 O GLY A 93 -5.369 -8.526 19.140 1.00 0.00 O ATOM 0 H GLY A 93 -7.383 -11.305 19.676 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.137 -9.278 20.734 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.991 -9.966 21.867 1.00 0.00 H new TER 1343 GLY A 93 HETATM 1344 ZN ZN A 201 0.676 5.868 7.476 1.00 0.00 ZN HETATM 1345 ZN ZN A 401 -10.798 -0.382 4.205 1.00 0.00 ZN