USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 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: X 10 TYR OH : rot -154:sc= 1.71 USER MOD Set 1.2: X 40 HIS : no HE2:sc= -1.95! C(o=-0.24!,f=-4.6!) USER MOD Single : X 4 LYS NZ :NH3+ -123:sc= 1.27 (180deg=-0.0578) USER MOD Single : X 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 11 THR OG1 : rot 180:sc= 0.638 USER MOD Single : X 17 GLN : amide:sc= -0.981! K(o=-0.98!,f=-0.29) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.01) USER MOD Single : X 26 ASN : amide:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : X 30 THR OG1 : rot 130:sc= -1.83! USER MOD Single : X 43 LYS NZ :NH3+ -133:sc= 0.785 (180deg=-0.174) USER MOD Single : X 45 THR OG1 : rot -19:sc= -3! USER MOD Single : X 47 HIS : no HD1:sc= -3.54 X(o=-3.5,f=-3.2) USER MOD Single : X 51 THR OG1 : rot 92:sc= 0.0407 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 77 LYS NZ :NH3+ -176:sc= 0.669 (180deg=0.657) USER MOD Single : X 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 86 ASN : amide:sc= -1.81 K(o=-1.8,f=-3.3!) USER MOD Single : X 88 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0223) USER MOD Single : X 92 LYS NZ :NH3+ -139:sc= 0.72 (180deg=0.117) USER MOD Single : X 93 GLN : amide:sc= -0.57 K(o=-0.57,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU X 3 60.560 4.652 6.882 1.00 0.00 N ATOM 17 CA LEU X 3 61.538 5.263 6.008 1.00 0.00 C ATOM 18 C LEU X 3 61.948 6.581 6.630 1.00 0.00 C ATOM 19 O LEU X 3 61.116 7.269 7.243 1.00 0.00 O ATOM 20 CB LEU X 3 60.948 5.513 4.606 1.00 0.00 C ATOM 21 CG LEU X 3 60.425 4.281 3.859 1.00 0.00 C ATOM 22 CD1 LEU X 3 59.958 4.650 2.439 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.490 3.197 3.811 1.00 0.00 C ATOM 0 HA LEU X 3 62.395 4.599 5.893 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.131 6.228 4.701 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.714 5.986 3.992 1.00 0.00 H new ATOM 0 HG LEU X 3 59.563 3.895 4.403 1.00 0.00 H new ATOM 0 HD11 LEU X 3 59.592 3.757 1.933 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.157 5.387 2.499 1.00 0.00 H new ATOM 0 HD13 LEU X 3 60.794 5.068 1.878 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.102 2.329 3.277 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.372 3.576 3.295 1.00 0.00 H new ATOM 0 HD23 LEU X 3 61.760 2.907 4.826 1.00 0.00 H new ATOM 35 N LYS X 4 63.196 6.926 6.518 1.00 0.00 N ATOM 36 CA LYS X 4 63.695 8.155 7.108 1.00 0.00 C ATOM 37 C LYS X 4 63.836 9.214 6.022 1.00 0.00 C ATOM 38 O LYS X 4 63.183 9.128 4.991 1.00 0.00 O ATOM 39 CB LYS X 4 65.055 7.916 7.779 1.00 0.00 C ATOM 40 CG LYS X 4 65.143 6.671 8.663 1.00 0.00 C ATOM 41 CD LYS X 4 63.927 6.509 9.511 1.00 0.00 C ATOM 42 CE LYS X 4 64.184 5.630 10.704 1.00 0.00 C ATOM 43 NZ LYS X 4 62.937 5.269 11.406 1.00 0.00 N ATOM 0 H LYS X 4 63.899 6.377 6.023 1.00 0.00 H new ATOM 0 HA LYS X 4 62.990 8.496 7.866 1.00 0.00 H new ATOM 0 HB2 LYS X 4 65.816 7.843 7.002 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.300 8.788 8.385 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.270 5.788 8.036 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.025 6.739 9.300 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.588 7.488 9.849 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.122 6.082 8.913 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.694 4.722 10.382 1.00 0.00 H new ATOM 0 HE3 LYS X 4 64.853 6.143 11.395 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.000 5.567 12.400 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.132 5.746 10.952 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.799 4.239 11.361 1.00 0.00 H new ATOM 57 N ASN X 5 64.634 10.231 6.268 1.00 0.00 N ATOM 58 CA ASN X 5 64.902 11.242 5.243 1.00 0.00 C ATOM 59 C ASN X 5 66.388 11.296 4.926 1.00 0.00 C ATOM 60 O ASN X 5 66.796 11.733 3.841 1.00 0.00 O ATOM 61 CB ASN X 5 64.396 12.632 5.650 1.00 0.00 C ATOM 62 CG ASN X 5 62.892 12.695 5.843 1.00 0.00 C ATOM 63 OD1 ASN X 5 62.387 12.475 6.938 1.00 0.00 O ATOM 64 ND2 ASN X 5 62.174 12.999 4.799 1.00 0.00 N ATOM 0 H ASN X 5 65.109 10.388 7.157 1.00 0.00 H new ATOM 0 HA ASN X 5 64.353 10.945 4.349 1.00 0.00 H new ATOM 0 HB2 ASN X 5 64.886 12.932 6.576 1.00 0.00 H new ATOM 0 HB3 ASN X 5 64.687 13.354 4.887 1.00 0.00 H new ATOM 0 HD21 ASN X 5 61.159 13.060 4.878 1.00 0.00 H new ATOM 0 HD22 ASN X 5 62.627 13.176 3.902 1.00 0.00 H new ATOM 71 N SER X 6 67.193 10.835 5.869 1.00 0.00 N ATOM 72 CA SER X 6 68.627 10.797 5.720 1.00 0.00 C ATOM 73 C SER X 6 69.169 9.495 6.312 1.00 0.00 C ATOM 74 O SER X 6 68.454 8.822 7.070 1.00 0.00 O ATOM 75 CB SER X 6 69.255 12.019 6.388 1.00 0.00 C ATOM 76 OG SER X 6 68.782 12.171 7.716 1.00 0.00 O ATOM 0 H SER X 6 66.861 10.475 6.764 1.00 0.00 H new ATOM 0 HA SER X 6 68.888 10.826 4.662 1.00 0.00 H new ATOM 0 HB2 SER X 6 70.340 11.917 6.394 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.022 12.914 5.810 1.00 0.00 H new ATOM 0 HG SER X 6 69.199 12.959 8.124 1.00 0.00 H new ATOM 82 N ILE X 7 70.429 9.158 6.009 1.00 0.00 N ATOM 83 CA ILE X 7 71.032 7.888 6.444 1.00 0.00 C ATOM 84 C ILE X 7 71.271 7.903 7.964 1.00 0.00 C ATOM 85 O ILE X 7 71.400 6.863 8.603 1.00 0.00 O ATOM 86 CB ILE X 7 72.399 7.618 5.711 1.00 0.00 C ATOM 87 CG1 ILE X 7 72.805 6.140 5.818 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.526 8.524 6.215 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.139 5.243 4.829 1.00 0.00 C ATOM 0 H ILE X 7 71.055 9.749 5.462 1.00 0.00 H new ATOM 0 HA ILE X 7 70.334 7.091 6.186 1.00 0.00 H new ATOM 0 HB ILE X 7 72.239 7.860 4.660 1.00 0.00 H new ATOM 0 HG12 ILE X 7 73.885 6.063 5.690 1.00 0.00 H new ATOM 0 HG13 ILE X 7 72.577 5.785 6.823 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.445 8.295 5.676 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.257 9.567 6.047 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.679 8.356 7.281 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.484 4.219 4.976 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.059 5.286 4.969 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.387 5.568 3.819 1.00 0.00 H new ATOM 101 N SER X 8 71.265 9.093 8.523 1.00 0.00 N ATOM 102 CA SER X 8 71.577 9.320 9.908 1.00 0.00 C ATOM 103 C SER X 8 70.485 8.797 10.827 1.00 0.00 C ATOM 104 O SER X 8 70.722 8.557 12.009 1.00 0.00 O ATOM 105 CB SER X 8 71.804 10.808 10.102 1.00 0.00 C ATOM 106 OG SER X 8 72.730 11.284 9.131 1.00 0.00 O ATOM 0 H SER X 8 71.037 9.946 8.012 1.00 0.00 H new ATOM 0 HA SER X 8 72.480 8.770 10.173 1.00 0.00 H new ATOM 0 HB2 SER X 8 70.859 11.344 10.011 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.184 11.000 11.105 1.00 0.00 H new ATOM 0 HG SER X 8 72.873 12.245 9.258 1.00 0.00 H new ATOM 112 N ASP X 9 69.304 8.587 10.289 1.00 0.00 N ATOM 113 CA ASP X 9 68.231 8.081 11.105 1.00 0.00 C ATOM 114 C ASP X 9 68.017 6.611 10.801 1.00 0.00 C ATOM 115 O ASP X 9 67.119 5.969 11.321 1.00 0.00 O ATOM 116 CB ASP X 9 66.950 8.850 10.862 1.00 0.00 C ATOM 117 CG ASP X 9 65.931 8.657 11.963 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.318 8.610 13.166 1.00 0.00 O ATOM 119 OD2 ASP X 9 64.737 8.605 11.668 1.00 0.00 O ATOM 0 H ASP X 9 69.068 8.755 9.311 1.00 0.00 H new ATOM 0 HA ASP X 9 68.505 8.205 12.153 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.181 9.911 10.769 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.517 8.534 9.913 1.00 0.00 H new ATOM 124 N TYR X 10 68.887 6.059 10.008 1.00 0.00 N ATOM 125 CA TYR X 10 68.740 4.692 9.606 1.00 0.00 C ATOM 126 C TYR X 10 69.555 3.805 10.469 1.00 0.00 C ATOM 127 O TYR X 10 70.752 4.023 10.640 1.00 0.00 O ATOM 128 CB TYR X 10 69.089 4.447 8.120 1.00 0.00 C ATOM 129 CG TYR X 10 67.939 4.650 7.158 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.999 3.646 6.971 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.783 5.823 6.447 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.936 3.804 6.106 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.718 5.998 5.583 1.00 0.00 C ATOM 134 CZ TYR X 10 65.799 4.981 5.419 1.00 0.00 C ATOM 135 OH TYR X 10 64.724 5.163 4.591 1.00 0.00 O ATOM 0 H TYR X 10 69.705 6.534 9.627 1.00 0.00 H new ATOM 0 HA TYR X 10 67.683 4.455 9.724 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.903 5.114 7.837 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.460 3.428 8.011 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.102 2.719 7.516 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.505 6.617 6.568 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.219 3.008 5.972 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.606 6.925 5.040 1.00 0.00 H new ATOM 0 HH TYR X 10 64.957 5.807 3.890 1.00 0.00 H new ATOM 145 N THR X 11 68.908 2.858 11.064 1.00 0.00 N ATOM 146 CA THR X 11 69.588 1.839 11.774 1.00 0.00 C ATOM 147 C THR X 11 69.928 0.781 10.743 1.00 0.00 C ATOM 148 O THR X 11 69.467 0.892 9.582 1.00 0.00 O ATOM 149 CB THR X 11 68.683 1.239 12.884 1.00 0.00 C ATOM 150 OG1 THR X 11 67.488 0.683 12.311 1.00 0.00 O ATOM 151 CG2 THR X 11 68.284 2.304 13.887 1.00 0.00 C ATOM 0 H THR X 11 67.892 2.773 11.069 1.00 0.00 H new ATOM 0 HA THR X 11 70.478 2.226 12.269 1.00 0.00 H new ATOM 0 HB THR X 11 69.253 0.458 13.387 1.00 0.00 H new ATOM 0 HG1 THR X 11 66.928 0.307 13.022 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.650 1.861 14.655 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.178 2.721 14.350 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.736 3.097 13.377 1.00 0.00 H new ATOM 159 N GLU X 12 70.696 -0.217 11.117 1.00 0.00 N ATOM 160 CA GLU X 12 71.039 -1.299 10.199 1.00 0.00 C ATOM 161 C GLU X 12 69.747 -1.905 9.682 1.00 0.00 C ATOM 162 O GLU X 12 69.505 -1.981 8.489 1.00 0.00 O ATOM 163 CB GLU X 12 71.746 -2.427 10.932 1.00 0.00 C ATOM 164 CG GLU X 12 72.715 -2.016 11.997 1.00 0.00 C ATOM 165 CD GLU X 12 73.966 -1.365 11.478 1.00 0.00 C ATOM 166 OE1 GLU X 12 74.857 -2.087 10.996 1.00 0.00 O ATOM 167 OE2 GLU X 12 74.104 -0.146 11.591 1.00 0.00 O ATOM 0 H GLU X 12 71.099 -0.309 12.049 1.00 0.00 H new ATOM 0 HA GLU X 12 71.673 -0.890 9.412 1.00 0.00 H new ATOM 0 HB2 GLU X 12 70.990 -3.068 11.385 1.00 0.00 H new ATOM 0 HB3 GLU X 12 72.279 -3.032 10.198 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.217 -1.327 12.679 1.00 0.00 H new ATOM 0 HG3 GLU X 12 72.992 -2.895 12.579 1.00 0.00 H new ATOM 174 N ALA X 13 68.890 -2.258 10.615 1.00 0.00 N ATOM 175 CA ALA X 13 67.670 -2.944 10.306 1.00 0.00 C ATOM 176 C ALA X 13 66.647 -2.047 9.575 1.00 0.00 C ATOM 177 O ALA X 13 65.941 -2.517 8.685 1.00 0.00 O ATOM 178 CB ALA X 13 67.071 -3.593 11.540 1.00 0.00 C ATOM 0 H ALA X 13 69.026 -2.074 11.609 1.00 0.00 H new ATOM 0 HA ALA X 13 67.929 -3.739 9.607 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.147 -4.104 11.270 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.778 -4.314 11.951 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.857 -2.828 12.286 1.00 0.00 H new ATOM 184 N GLU X 14 66.542 -0.766 9.955 1.00 0.00 N ATOM 185 CA GLU X 14 65.649 0.154 9.221 1.00 0.00 C ATOM 186 C GLU X 14 66.115 0.290 7.788 1.00 0.00 C ATOM 187 O GLU X 14 65.296 0.418 6.863 1.00 0.00 O ATOM 188 CB GLU X 14 65.544 1.540 9.887 1.00 0.00 C ATOM 189 CG GLU X 14 64.585 1.608 11.079 1.00 0.00 C ATOM 190 CD GLU X 14 63.111 1.576 10.676 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.610 0.530 10.243 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.418 2.629 10.787 1.00 0.00 O ATOM 0 H GLU X 14 67.044 -0.349 10.739 1.00 0.00 H new ATOM 0 HA GLU X 14 64.649 -0.280 9.243 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.537 1.844 10.219 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.223 2.264 9.138 1.00 0.00 H new ATOM 0 HG2 GLU X 14 64.789 0.772 11.748 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.780 2.521 11.641 1.00 0.00 H new ATOM 199 N PHE X 15 67.421 0.224 7.591 1.00 0.00 N ATOM 200 CA PHE X 15 67.966 0.308 6.272 1.00 0.00 C ATOM 201 C PHE X 15 67.662 -0.972 5.521 1.00 0.00 C ATOM 202 O PHE X 15 67.221 -0.921 4.388 1.00 0.00 O ATOM 203 CB PHE X 15 69.464 0.560 6.303 1.00 0.00 C ATOM 204 CG PHE X 15 70.026 1.036 4.993 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.710 2.289 4.505 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.873 0.243 4.263 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.237 2.730 3.311 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.403 0.679 3.071 1.00 0.00 C ATOM 209 CZ PHE X 15 71.084 1.925 2.597 1.00 0.00 C ATOM 0 H PHE X 15 68.111 0.113 8.334 1.00 0.00 H new ATOM 0 HA PHE X 15 67.504 1.152 5.760 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.683 1.301 7.072 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.972 -0.360 6.593 1.00 0.00 H new ATOM 0 HD1 PHE X 15 69.044 2.929 5.065 1.00 0.00 H new ATOM 0 HD2 PHE X 15 71.128 -0.740 4.630 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.982 3.711 2.938 1.00 0.00 H new ATOM 0 HE2 PHE X 15 72.069 0.041 2.510 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.500 2.271 1.662 1.00 0.00 H new ATOM 219 N VAL X 16 67.861 -2.128 6.173 1.00 0.00 N ATOM 220 CA VAL X 16 67.593 -3.413 5.519 1.00 0.00 C ATOM 221 C VAL X 16 66.115 -3.547 5.149 1.00 0.00 C ATOM 222 O VAL X 16 65.785 -4.192 4.181 1.00 0.00 O ATOM 223 CB VAL X 16 68.075 -4.671 6.314 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.456 -4.527 6.839 1.00 0.00 C ATOM 225 CG2 VAL X 16 67.116 -5.134 7.359 1.00 0.00 C ATOM 0 H VAL X 16 68.200 -2.198 7.133 1.00 0.00 H new ATOM 0 HA VAL X 16 68.198 -3.393 4.613 1.00 0.00 H new ATOM 0 HB VAL X 16 68.103 -5.471 5.575 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.735 -5.430 7.381 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.146 -4.374 6.010 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.502 -3.671 7.512 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.523 -6.009 7.865 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.957 -4.337 8.085 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.166 -5.394 6.892 1.00 0.00 H new ATOM 235 N GLN X 17 65.244 -2.920 5.936 1.00 0.00 N ATOM 236 CA GLN X 17 63.828 -2.854 5.668 1.00 0.00 C ATOM 237 C GLN X 17 63.609 -2.183 4.319 1.00 0.00 C ATOM 238 O GLN X 17 62.922 -2.717 3.453 1.00 0.00 O ATOM 239 CB GLN X 17 63.198 -2.000 6.747 1.00 0.00 C ATOM 240 CG GLN X 17 61.797 -1.571 6.436 1.00 0.00 C ATOM 241 CD GLN X 17 61.441 -0.216 7.026 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.291 0.040 7.362 1.00 0.00 O ATOM 243 NE2 GLN X 17 62.414 0.679 7.118 1.00 0.00 N ATOM 0 H GLN X 17 65.518 -2.437 6.792 1.00 0.00 H new ATOM 0 HA GLN X 17 63.390 -3.852 5.655 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.198 -2.556 7.684 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.814 -1.114 6.902 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.667 -1.535 5.354 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.102 -2.320 6.816 1.00 0.00 H new ATOM 0 HE21 GLN X 17 63.361 0.434 6.830 1.00 0.00 H new ATOM 0 HE22 GLN X 17 62.216 1.613 7.477 1.00 0.00 H new ATOM 252 N LEU X 18 64.250 -1.029 4.153 1.00 0.00 N ATOM 253 CA LEU X 18 64.194 -0.264 2.924 1.00 0.00 C ATOM 254 C LEU X 18 64.699 -1.112 1.797 1.00 0.00 C ATOM 255 O LEU X 18 64.083 -1.219 0.763 1.00 0.00 O ATOM 256 CB LEU X 18 65.065 0.983 3.064 1.00 0.00 C ATOM 257 CG LEU X 18 65.305 1.792 1.781 1.00 0.00 C ATOM 258 CD1 LEU X 18 64.069 2.534 1.338 1.00 0.00 C ATOM 259 CD2 LEU X 18 66.481 2.722 1.930 1.00 0.00 C ATOM 0 H LEU X 18 64.826 -0.600 4.878 1.00 0.00 H new ATOM 0 HA LEU X 18 63.167 0.038 2.720 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.605 1.640 3.802 1.00 0.00 H new ATOM 0 HB3 LEU X 18 66.033 0.681 3.464 1.00 0.00 H new ATOM 0 HG LEU X 18 65.545 1.077 0.994 1.00 0.00 H new ATOM 0 HD11 LEU X 18 64.286 3.092 0.427 1.00 0.00 H new ATOM 0 HD12 LEU X 18 63.267 1.822 1.145 1.00 0.00 H new ATOM 0 HD13 LEU X 18 63.759 3.225 2.122 1.00 0.00 H new ATOM 0 HD21 LEU X 18 66.623 3.280 1.004 1.00 0.00 H new ATOM 0 HD22 LEU X 18 66.293 3.418 2.748 1.00 0.00 H new ATOM 0 HD23 LEU X 18 67.378 2.142 2.146 1.00 0.00 H new ATOM 271 N LEU X 19 65.795 -1.750 2.061 1.00 0.00 N ATOM 272 CA LEU X 19 66.462 -2.630 1.137 1.00 0.00 C ATOM 273 C LEU X 19 65.580 -3.770 0.665 1.00 0.00 C ATOM 274 O LEU X 19 65.566 -4.106 -0.521 1.00 0.00 O ATOM 275 CB LEU X 19 67.690 -3.138 1.795 1.00 0.00 C ATOM 276 CG LEU X 19 68.719 -2.070 2.116 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.997 -2.673 2.484 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.894 -1.086 0.996 1.00 0.00 C ATOM 0 H LEU X 19 66.273 -1.673 2.959 1.00 0.00 H new ATOM 0 HA LEU X 19 66.714 -2.069 0.237 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.409 -3.644 2.719 1.00 0.00 H new ATOM 0 HB3 LEU X 19 68.150 -3.886 1.149 1.00 0.00 H new ATOM 0 HG LEU X 19 68.339 -1.511 2.971 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.718 -1.888 2.710 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.862 -3.305 3.362 1.00 0.00 H new ATOM 0 HD13 LEU X 19 70.366 -3.278 1.655 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.641 -0.344 1.277 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.223 -1.610 0.099 1.00 0.00 H new ATOM 0 HD23 LEU X 19 67.945 -0.588 0.797 1.00 0.00 H new ATOM 290 N LYS X 20 64.820 -4.333 1.580 1.00 0.00 N ATOM 291 CA LYS X 20 63.876 -5.387 1.265 1.00 0.00 C ATOM 292 C LYS X 20 62.777 -4.855 0.359 1.00 0.00 C ATOM 293 O LYS X 20 62.334 -5.540 -0.577 1.00 0.00 O ATOM 294 CB LYS X 20 63.273 -5.982 2.543 1.00 0.00 C ATOM 295 CG LYS X 20 64.279 -6.712 3.406 1.00 0.00 C ATOM 296 CD LYS X 20 63.635 -7.357 4.623 1.00 0.00 C ATOM 297 CE LYS X 20 64.677 -8.078 5.466 1.00 0.00 C ATOM 298 NZ LYS X 20 64.095 -8.717 6.661 1.00 0.00 N ATOM 0 H LYS X 20 64.839 -4.073 2.566 1.00 0.00 H new ATOM 0 HA LYS X 20 64.411 -6.180 0.742 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.819 -5.181 3.127 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.473 -6.671 2.271 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.776 -7.479 2.811 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.049 -6.013 3.733 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.138 -6.595 5.224 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.868 -8.062 4.303 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.171 -8.836 4.857 1.00 0.00 H new ATOM 0 HE3 LYS X 20 65.444 -7.368 5.775 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 64.846 -9.194 7.200 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 63.646 -7.993 7.258 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 63.382 -9.415 6.369 1.00 0.00 H new ATOM 312 N GLU X 21 62.379 -3.629 0.613 1.00 0.00 N ATOM 313 CA GLU X 21 61.356 -2.983 -0.163 1.00 0.00 C ATOM 314 C GLU X 21 61.862 -2.621 -1.546 1.00 0.00 C ATOM 315 O GLU X 21 61.121 -2.734 -2.528 1.00 0.00 O ATOM 316 CB GLU X 21 60.811 -1.755 0.556 1.00 0.00 C ATOM 317 CG GLU X 21 60.171 -2.070 1.896 1.00 0.00 C ATOM 318 CD GLU X 21 58.967 -2.975 1.780 1.00 0.00 C ATOM 319 OE1 GLU X 21 59.124 -4.205 1.672 1.00 0.00 O ATOM 320 OE2 GLU X 21 57.823 -2.470 1.850 1.00 0.00 O ATOM 0 H GLU X 21 62.759 -3.055 1.365 1.00 0.00 H new ATOM 0 HA GLU X 21 60.537 -3.692 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.623 -1.044 0.709 1.00 0.00 H new ATOM 0 HB3 GLU X 21 60.075 -1.267 -0.083 1.00 0.00 H new ATOM 0 HG2 GLU X 21 60.911 -2.541 2.543 1.00 0.00 H new ATOM 0 HG3 GLU X 21 59.873 -1.139 2.377 1.00 0.00 H new ATOM 327 N ILE X 22 63.123 -2.203 -1.640 1.00 0.00 N ATOM 328 CA ILE X 22 63.690 -1.867 -2.932 1.00 0.00 C ATOM 329 C ILE X 22 63.702 -3.098 -3.823 1.00 0.00 C ATOM 330 O ILE X 22 63.394 -3.008 -5.011 1.00 0.00 O ATOM 331 CB ILE X 22 65.123 -1.282 -2.874 1.00 0.00 C ATOM 332 CG1 ILE X 22 65.229 -0.201 -1.805 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.429 -0.661 -4.228 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.605 0.418 -1.676 1.00 0.00 C ATOM 0 H ILE X 22 63.757 -2.092 -0.849 1.00 0.00 H new ATOM 0 HA ILE X 22 63.050 -1.083 -3.336 1.00 0.00 H new ATOM 0 HB ILE X 22 65.827 -2.078 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.509 0.586 -2.029 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.945 -0.629 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.434 -0.240 -4.216 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.365 -1.426 -5.002 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.707 0.129 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.591 1.177 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE X 22 67.329 -0.355 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.887 0.879 -2.623 1.00 0.00 H new ATOM 346 N GLU X 23 64.022 -4.257 -3.234 1.00 0.00 N ATOM 347 CA GLU X 23 64.037 -5.503 -3.981 1.00 0.00 C ATOM 348 C GLU X 23 62.695 -5.782 -4.611 1.00 0.00 C ATOM 349 O GLU X 23 62.623 -6.085 -5.792 1.00 0.00 O ATOM 350 CB GLU X 23 64.370 -6.705 -3.120 1.00 0.00 C ATOM 351 CG GLU X 23 65.779 -6.797 -2.594 1.00 0.00 C ATOM 352 CD GLU X 23 66.055 -8.212 -2.129 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.350 -8.701 -1.218 1.00 0.00 O ATOM 354 OE2 GLU X 23 66.920 -8.889 -2.710 1.00 0.00 O ATOM 0 H GLU X 23 64.271 -4.349 -2.249 1.00 0.00 H new ATOM 0 HA GLU X 23 64.810 -5.366 -4.737 1.00 0.00 H new ATOM 0 HB2 GLU X 23 63.689 -6.712 -2.269 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.165 -7.605 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.488 -6.514 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU X 23 65.916 -6.099 -1.769 1.00 0.00 H new ATOM 361 N LYS X 24 61.629 -5.637 -3.833 1.00 0.00 N ATOM 362 CA LYS X 24 60.305 -5.983 -4.315 1.00 0.00 C ATOM 363 C LYS X 24 59.847 -5.034 -5.432 1.00 0.00 C ATOM 364 O LYS X 24 59.211 -5.461 -6.398 1.00 0.00 O ATOM 365 CB LYS X 24 59.277 -6.066 -3.172 1.00 0.00 C ATOM 366 CG LYS X 24 58.737 -4.740 -2.675 1.00 0.00 C ATOM 367 CD LYS X 24 57.724 -4.940 -1.569 1.00 0.00 C ATOM 368 CE LYS X 24 57.003 -3.647 -1.221 1.00 0.00 C ATOM 369 NZ LYS X 24 56.107 -3.178 -2.315 1.00 0.00 N ATOM 0 H LYS X 24 61.658 -5.286 -2.876 1.00 0.00 H new ATOM 0 HA LYS X 24 60.371 -6.982 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS X 24 58.438 -6.676 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.736 -6.588 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS X 24 59.559 -4.123 -2.311 1.00 0.00 H new ATOM 0 HG3 LYS X 24 58.275 -4.200 -3.501 1.00 0.00 H new ATOM 0 HD2 LYS X 24 56.996 -5.691 -1.875 1.00 0.00 H new ATOM 0 HD3 LYS X 24 58.226 -5.326 -0.682 1.00 0.00 H new ATOM 0 HE2 LYS X 24 56.416 -3.795 -0.314 1.00 0.00 H new ATOM 0 HE3 LYS X 24 57.738 -2.873 -1.002 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 55.414 -2.504 -1.931 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 56.673 -2.710 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 55.608 -3.992 -2.727 1.00 0.00 H new ATOM 383 N GLU X 25 60.207 -3.760 -5.324 1.00 0.00 N ATOM 384 CA GLU X 25 59.872 -2.801 -6.343 1.00 0.00 C ATOM 385 C GLU X 25 60.713 -3.048 -7.589 1.00 0.00 C ATOM 386 O GLU X 25 60.269 -2.827 -8.711 1.00 0.00 O ATOM 387 CB GLU X 25 60.054 -1.375 -5.826 1.00 0.00 C ATOM 388 CG GLU X 25 59.156 -1.024 -4.664 1.00 0.00 C ATOM 389 CD GLU X 25 57.707 -1.246 -4.979 1.00 0.00 C ATOM 390 OE1 GLU X 25 57.091 -0.413 -5.667 1.00 0.00 O ATOM 391 OE2 GLU X 25 57.157 -2.259 -4.541 1.00 0.00 O ATOM 0 H GLU X 25 60.731 -3.378 -4.537 1.00 0.00 H new ATOM 0 HA GLU X 25 58.822 -2.923 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU X 25 61.092 -1.239 -5.524 1.00 0.00 H new ATOM 0 HB3 GLU X 25 59.865 -0.677 -6.642 1.00 0.00 H new ATOM 0 HG2 GLU X 25 59.434 -1.625 -3.798 1.00 0.00 H new ATOM 0 HG3 GLU X 25 59.311 0.020 -4.390 1.00 0.00 H new ATOM 398 N ASN X 26 61.920 -3.532 -7.380 1.00 0.00 N ATOM 399 CA ASN X 26 62.821 -3.861 -8.470 1.00 0.00 C ATOM 400 C ASN X 26 62.374 -5.117 -9.202 1.00 0.00 C ATOM 401 O ASN X 26 62.235 -5.109 -10.415 1.00 0.00 O ATOM 402 CB ASN X 26 64.273 -4.015 -7.968 1.00 0.00 C ATOM 403 CG ASN X 26 65.234 -4.500 -9.051 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.787 -3.707 -9.803 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.460 -5.796 -9.109 1.00 0.00 N ATOM 0 H ASN X 26 62.305 -3.709 -6.452 1.00 0.00 H new ATOM 0 HA ASN X 26 62.790 -3.031 -9.176 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.622 -3.056 -7.584 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.290 -4.717 -7.135 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.114 -6.169 -9.797 1.00 0.00 H new ATOM 0 HD22 ASN X 26 64.981 -6.427 -8.466 1.00 0.00 H new ATOM 412 N VAL X 27 62.115 -6.186 -8.463 1.00 0.00 N ATOM 413 CA VAL X 27 61.761 -7.475 -9.066 1.00 0.00 C ATOM 414 C VAL X 27 60.383 -7.450 -9.738 1.00 0.00 C ATOM 415 O VAL X 27 60.169 -8.127 -10.742 1.00 0.00 O ATOM 416 CB VAL X 27 61.873 -8.671 -8.072 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.293 -8.804 -7.542 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.885 -8.541 -6.928 1.00 0.00 C ATOM 0 H VAL X 27 62.142 -6.192 -7.443 1.00 0.00 H new ATOM 0 HA VAL X 27 62.507 -7.638 -9.844 1.00 0.00 H new ATOM 0 HB VAL X 27 61.624 -9.578 -8.623 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.346 -9.645 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.977 -8.974 -8.373 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.574 -7.888 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.992 -9.392 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL X 27 61.082 -7.619 -6.380 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.870 -8.518 -7.325 1.00 0.00 H new ATOM 428 N ALA X 28 59.461 -6.667 -9.200 1.00 0.00 N ATOM 429 CA ALA X 28 58.144 -6.528 -9.806 1.00 0.00 C ATOM 430 C ALA X 28 58.160 -5.400 -10.829 1.00 0.00 C ATOM 431 O ALA X 28 57.214 -5.229 -11.598 1.00 0.00 O ATOM 432 CB ALA X 28 57.087 -6.271 -8.746 1.00 0.00 C ATOM 0 H ALA X 28 59.598 -6.120 -8.350 1.00 0.00 H new ATOM 0 HA ALA X 28 57.893 -7.460 -10.312 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.111 -6.171 -9.222 1.00 0.00 H new ATOM 0 HB2 ALA X 28 57.065 -7.105 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.325 -5.353 -8.210 1.00 0.00 H new ATOM 438 N ALA X 29 59.256 -4.655 -10.815 1.00 0.00 N ATOM 439 CA ALA X 29 59.525 -3.523 -11.690 1.00 0.00 C ATOM 440 C ALA X 29 58.429 -2.475 -11.677 1.00 0.00 C ATOM 441 O ALA X 29 57.546 -2.456 -12.536 1.00 0.00 O ATOM 442 CB ALA X 29 59.886 -3.948 -13.107 1.00 0.00 C ATOM 0 H ALA X 29 60.019 -4.832 -10.161 1.00 0.00 H new ATOM 0 HA ALA X 29 60.407 -3.042 -11.268 1.00 0.00 H new ATOM 0 HB1 ALA X 29 60.076 -3.063 -13.715 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.780 -4.571 -13.083 1.00 0.00 H new ATOM 0 HB3 ALA X 29 59.061 -4.514 -13.538 1.00 0.00 H new ATOM 448 N THR X 30 58.455 -1.648 -10.687 1.00 0.00 N ATOM 449 CA THR X 30 57.537 -0.556 -10.593 1.00 0.00 C ATOM 450 C THR X 30 58.296 0.726 -10.940 1.00 0.00 C ATOM 451 O THR X 30 59.424 0.649 -11.460 1.00 0.00 O ATOM 452 CB THR X 30 56.957 -0.485 -9.172 1.00 0.00 C ATOM 453 OG1 THR X 30 58.019 -0.370 -8.223 1.00 0.00 O ATOM 454 CG2 THR X 30 56.168 -1.737 -8.863 1.00 0.00 C ATOM 0 H THR X 30 59.117 -1.708 -9.913 1.00 0.00 H new ATOM 0 HA THR X 30 56.705 -0.688 -11.285 1.00 0.00 H new ATOM 0 HB THR X 30 56.302 0.384 -9.110 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.834 0.374 -7.613 1.00 0.00 H new ATOM 0 HG21 THR X 30 55.763 -1.672 -7.853 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.350 -1.837 -9.576 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.821 -2.606 -8.937 1.00 0.00 H new ATOM 462 N ASP X 31 57.720 1.883 -10.701 1.00 0.00 N ATOM 463 CA ASP X 31 58.449 3.114 -10.973 1.00 0.00 C ATOM 464 C ASP X 31 58.172 4.186 -9.954 1.00 0.00 C ATOM 465 O ASP X 31 59.035 5.012 -9.701 1.00 0.00 O ATOM 466 CB ASP X 31 58.239 3.662 -12.399 1.00 0.00 C ATOM 467 CG ASP X 31 56.881 4.289 -12.629 1.00 0.00 C ATOM 468 OD1 ASP X 31 55.912 3.551 -12.924 1.00 0.00 O ATOM 469 OD2 ASP X 31 56.761 5.532 -12.516 1.00 0.00 O ATOM 0 H ASP X 31 56.778 2.004 -10.330 1.00 0.00 H new ATOM 0 HA ASP X 31 59.498 2.830 -10.895 1.00 0.00 H new ATOM 0 HB2 ASP X 31 59.009 4.404 -12.608 1.00 0.00 H new ATOM 0 HB3 ASP X 31 58.377 2.850 -13.112 1.00 0.00 H new ATOM 474 N ASP X 32 56.996 4.188 -9.354 1.00 0.00 N ATOM 475 CA ASP X 32 56.691 5.227 -8.365 1.00 0.00 C ATOM 476 C ASP X 32 57.517 5.087 -7.135 1.00 0.00 C ATOM 477 O ASP X 32 58.277 5.987 -6.798 1.00 0.00 O ATOM 478 CB ASP X 32 55.196 5.367 -8.036 1.00 0.00 C ATOM 479 CG ASP X 32 54.386 5.990 -9.156 1.00 0.00 C ATOM 480 OD1 ASP X 32 54.337 7.242 -9.262 1.00 0.00 O ATOM 481 OD2 ASP X 32 53.775 5.256 -9.947 1.00 0.00 O ATOM 0 H ASP X 32 56.253 3.510 -9.520 1.00 0.00 H new ATOM 0 HA ASP X 32 56.967 6.165 -8.847 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.788 4.382 -7.808 1.00 0.00 H new ATOM 0 HB3 ASP X 32 55.085 5.974 -7.137 1.00 0.00 H new ATOM 486 N VAL X 33 57.436 3.969 -6.501 1.00 0.00 N ATOM 487 CA VAL X 33 58.169 3.760 -5.313 1.00 0.00 C ATOM 488 C VAL X 33 59.538 3.265 -5.626 1.00 0.00 C ATOM 489 O VAL X 33 60.487 3.597 -4.936 1.00 0.00 O ATOM 490 CB VAL X 33 57.430 2.837 -4.356 1.00 0.00 C ATOM 491 CG1 VAL X 33 58.266 2.543 -3.186 1.00 0.00 C ATOM 492 CG2 VAL X 33 56.226 3.528 -3.897 1.00 0.00 C ATOM 0 H VAL X 33 56.860 3.180 -6.794 1.00 0.00 H new ATOM 0 HA VAL X 33 58.273 4.717 -4.802 1.00 0.00 H new ATOM 0 HB VAL X 33 57.184 1.906 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL X 33 57.725 1.882 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL X 33 59.187 2.057 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.508 3.472 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL X 33 55.678 2.885 -3.208 1.00 0.00 H new ATOM 0 HG22 VAL X 33 56.507 4.450 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL X 33 55.594 3.765 -4.753 1.00 0.00 H new ATOM 502 N LEU X 34 59.654 2.572 -6.730 1.00 0.00 N ATOM 503 CA LEU X 34 60.924 2.052 -7.179 1.00 0.00 C ATOM 504 C LEU X 34 61.877 3.200 -7.341 1.00 0.00 C ATOM 505 O LEU X 34 62.980 3.155 -6.825 1.00 0.00 O ATOM 506 CB LEU X 34 60.707 1.284 -8.496 1.00 0.00 C ATOM 507 CG LEU X 34 61.885 0.541 -9.166 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.644 1.453 -10.092 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.817 -0.095 -8.140 1.00 0.00 C ATOM 0 H LEU X 34 58.871 2.351 -7.345 1.00 0.00 H new ATOM 0 HA LEU X 34 61.351 1.357 -6.456 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.922 0.549 -8.316 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.317 1.995 -9.224 1.00 0.00 H new ATOM 0 HG LEU X 34 61.458 -0.268 -9.759 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.467 0.904 -10.549 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.975 1.820 -10.871 1.00 0.00 H new ATOM 0 HD13 LEU X 34 63.040 2.297 -9.527 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.630 -0.606 -8.655 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.228 0.679 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU X 34 62.260 -0.813 -7.538 1.00 0.00 H new ATOM 521 N ASP X 35 61.412 4.275 -7.938 1.00 0.00 N ATOM 522 CA ASP X 35 62.289 5.414 -8.112 1.00 0.00 C ATOM 523 C ASP X 35 62.549 6.101 -6.813 1.00 0.00 C ATOM 524 O ASP X 35 63.666 6.538 -6.588 1.00 0.00 O ATOM 525 CB ASP X 35 61.819 6.395 -9.161 1.00 0.00 C ATOM 526 CG ASP X 35 62.904 7.371 -9.562 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.967 6.932 -10.047 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.709 8.594 -9.421 1.00 0.00 O ATOM 0 H ASP X 35 60.465 4.386 -8.301 1.00 0.00 H new ATOM 0 HA ASP X 35 63.228 5.006 -8.487 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.482 5.848 -10.042 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.960 6.947 -8.780 1.00 0.00 H new ATOM 533 N VAL X 36 61.538 6.142 -5.919 1.00 0.00 N ATOM 534 CA VAL X 36 61.726 6.781 -4.613 1.00 0.00 C ATOM 535 C VAL X 36 62.845 6.133 -3.908 1.00 0.00 C ATOM 536 O VAL X 36 63.768 6.784 -3.468 1.00 0.00 O ATOM 537 CB VAL X 36 60.562 6.549 -3.628 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.855 7.219 -2.321 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.284 7.014 -4.118 1.00 0.00 C ATOM 0 H VAL X 36 60.610 5.750 -6.077 1.00 0.00 H new ATOM 0 HA VAL X 36 61.853 7.838 -4.846 1.00 0.00 H new ATOM 0 HB VAL X 36 60.484 5.469 -3.505 1.00 0.00 H new ATOM 0 HG11 VAL X 36 60.028 7.050 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.770 6.806 -1.897 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.981 8.290 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.515 6.817 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.336 8.085 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.036 6.491 -5.041 1.00 0.00 H new ATOM 549 N LEU X 37 62.770 4.841 -3.876 1.00 0.00 N ATOM 550 CA LEU X 37 63.653 4.055 -3.115 1.00 0.00 C ATOM 551 C LEU X 37 65.012 4.119 -3.670 1.00 0.00 C ATOM 552 O LEU X 37 65.960 4.282 -2.942 1.00 0.00 O ATOM 553 CB LEU X 37 63.186 2.644 -3.068 1.00 0.00 C ATOM 554 CG LEU X 37 61.745 2.426 -2.586 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.372 0.963 -2.602 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.521 3.017 -1.200 1.00 0.00 C ATOM 0 H LEU X 37 62.074 4.303 -4.393 1.00 0.00 H new ATOM 0 HA LEU X 37 63.673 4.451 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU X 37 63.282 2.217 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.855 2.083 -2.416 1.00 0.00 H new ATOM 0 HG LEU X 37 61.094 2.951 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.345 0.845 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.458 0.577 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU X 37 62.043 0.409 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.490 2.843 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU X 37 62.197 2.542 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.716 4.089 -1.226 1.00 0.00 H new ATOM 568 N LEU X 38 65.092 4.035 -4.964 1.00 0.00 N ATOM 569 CA LEU X 38 66.336 4.082 -5.647 1.00 0.00 C ATOM 570 C LEU X 38 67.063 5.379 -5.401 1.00 0.00 C ATOM 571 O LEU X 38 68.253 5.370 -5.066 1.00 0.00 O ATOM 572 CB LEU X 38 66.139 3.850 -7.126 1.00 0.00 C ATOM 573 CG LEU X 38 65.713 2.440 -7.550 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.825 2.282 -9.031 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.497 1.355 -6.837 1.00 0.00 C ATOM 0 H LEU X 38 64.283 3.931 -5.576 1.00 0.00 H new ATOM 0 HA LEU X 38 66.959 3.281 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.388 4.555 -7.484 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.072 4.092 -7.636 1.00 0.00 H new ATOM 0 HG LEU X 38 64.670 2.322 -7.256 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.519 1.275 -9.314 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.180 3.009 -9.524 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.858 2.446 -9.337 1.00 0.00 H new ATOM 0 HD21 LEU X 38 66.155 0.377 -7.175 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.558 1.466 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU X 38 66.343 1.442 -5.761 1.00 0.00 H new ATOM 587 N GLU X 39 66.377 6.492 -5.559 1.00 0.00 N ATOM 588 CA GLU X 39 67.012 7.757 -5.307 1.00 0.00 C ATOM 589 C GLU X 39 67.255 7.982 -3.819 1.00 0.00 C ATOM 590 O GLU X 39 68.275 8.526 -3.438 1.00 0.00 O ATOM 591 CB GLU X 39 66.279 8.936 -5.935 1.00 0.00 C ATOM 592 CG GLU X 39 64.823 9.079 -5.550 1.00 0.00 C ATOM 593 CD GLU X 39 64.313 10.473 -5.721 1.00 0.00 C ATOM 594 OE1 GLU X 39 64.233 10.962 -6.851 1.00 0.00 O ATOM 595 OE2 GLU X 39 63.983 11.123 -4.711 1.00 0.00 O ATOM 0 H GLU X 39 65.402 6.542 -5.854 1.00 0.00 H new ATOM 0 HA GLU X 39 67.982 7.704 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU X 39 66.801 9.853 -5.661 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.343 8.845 -7.019 1.00 0.00 H new ATOM 0 HG2 GLU X 39 64.223 8.401 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU X 39 64.695 8.775 -4.511 1.00 0.00 H new ATOM 602 N HIS X 40 66.322 7.525 -2.991 1.00 0.00 N ATOM 603 CA HIS X 40 66.402 7.694 -1.543 1.00 0.00 C ATOM 604 C HIS X 40 67.607 6.976 -1.021 1.00 0.00 C ATOM 605 O HIS X 40 68.396 7.535 -0.284 1.00 0.00 O ATOM 606 CB HIS X 40 65.130 7.121 -0.882 1.00 0.00 C ATOM 607 CG HIS X 40 65.040 7.312 0.597 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.181 8.189 1.206 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.714 6.705 1.593 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.360 8.092 2.511 1.00 0.00 C ATOM 611 NE2 HIS X 40 65.283 7.203 2.802 1.00 0.00 N ATOM 0 H HIS X 40 65.489 7.027 -3.304 1.00 0.00 H new ATOM 0 HA HIS X 40 66.483 8.755 -1.307 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.259 7.584 -1.346 1.00 0.00 H new ATOM 0 HB3 HIS X 40 65.077 6.054 -1.098 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.520 8.807 0.735 1.00 0.00 H new ATOM 0 HD2 HIS X 40 66.473 5.947 1.464 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.817 8.669 3.245 1.00 0.00 H new ATOM 619 N PHE X 41 67.760 5.771 -1.476 1.00 0.00 N ATOM 620 CA PHE X 41 68.837 4.916 -1.108 1.00 0.00 C ATOM 621 C PHE X 41 70.176 5.559 -1.437 1.00 0.00 C ATOM 622 O PHE X 41 71.005 5.762 -0.554 1.00 0.00 O ATOM 623 CB PHE X 41 68.644 3.588 -1.830 1.00 0.00 C ATOM 624 CG PHE X 41 69.804 2.668 -1.813 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.080 1.894 -0.712 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.627 2.584 -2.906 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.163 1.043 -0.708 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.703 1.743 -2.897 1.00 0.00 C ATOM 629 CZ PHE X 41 71.974 0.972 -1.808 1.00 0.00 C ATOM 0 H PHE X 41 67.112 5.344 -2.138 1.00 0.00 H new ATOM 0 HA PHE X 41 68.841 4.744 -0.032 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.792 3.075 -1.385 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.385 3.795 -2.868 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.442 1.953 0.158 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.423 3.186 -3.779 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.371 0.434 0.160 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.346 1.689 -3.763 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.825 0.307 -1.812 1.00 0.00 H new ATOM 639 N VAL X 42 70.359 5.926 -2.682 1.00 0.00 N ATOM 640 CA VAL X 42 71.605 6.506 -3.105 1.00 0.00 C ATOM 641 C VAL X 42 71.859 7.874 -2.490 1.00 0.00 C ATOM 642 O VAL X 42 72.969 8.189 -2.190 1.00 0.00 O ATOM 643 CB VAL X 42 71.781 6.508 -4.645 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.745 7.291 -5.341 1.00 0.00 C ATOM 645 CG2 VAL X 42 73.160 6.934 -5.074 1.00 0.00 C ATOM 0 H VAL X 42 69.659 5.832 -3.418 1.00 0.00 H new ATOM 0 HA VAL X 42 72.381 5.848 -2.714 1.00 0.00 H new ATOM 0 HB VAL X 42 71.654 5.468 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.922 7.254 -6.416 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.763 6.872 -5.121 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.782 8.326 -5.002 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.224 6.916 -6.162 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.357 7.944 -4.715 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.899 6.250 -4.656 1.00 0.00 H new ATOM 655 N LYS X 43 70.824 8.637 -2.253 1.00 0.00 N ATOM 656 CA LYS X 43 70.992 9.980 -1.679 1.00 0.00 C ATOM 657 C LYS X 43 71.437 9.900 -0.207 1.00 0.00 C ATOM 658 O LYS X 43 72.171 10.765 0.291 1.00 0.00 O ATOM 659 CB LYS X 43 69.691 10.814 -1.807 1.00 0.00 C ATOM 660 CG LYS X 43 68.693 10.674 -0.648 1.00 0.00 C ATOM 661 CD LYS X 43 67.366 11.317 -0.987 1.00 0.00 C ATOM 662 CE LYS X 43 66.530 11.578 0.257 1.00 0.00 C ATOM 663 NZ LYS X 43 67.124 12.650 1.105 1.00 0.00 N ATOM 0 H LYS X 43 69.858 8.370 -2.441 1.00 0.00 H new ATOM 0 HA LYS X 43 71.774 10.483 -2.248 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.963 11.865 -1.903 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.188 10.529 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.541 9.619 -0.421 1.00 0.00 H new ATOM 0 HG3 LYS X 43 69.106 11.137 0.248 1.00 0.00 H new ATOM 0 HD2 LYS X 43 67.541 12.257 -1.511 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.812 10.671 -1.668 1.00 0.00 H new ATOM 0 HE2 LYS X 43 65.520 11.864 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS X 43 66.445 10.660 0.838 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 67.140 12.339 2.097 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 68.095 12.845 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 66.552 13.515 1.022 1.00 0.00 H new ATOM 677 N ILE X 44 71.002 8.874 0.487 1.00 0.00 N ATOM 678 CA ILE X 44 71.345 8.745 1.874 1.00 0.00 C ATOM 679 C ILE X 44 72.719 8.109 2.044 1.00 0.00 C ATOM 680 O ILE X 44 73.486 8.509 2.908 1.00 0.00 O ATOM 681 CB ILE X 44 70.236 8.032 2.707 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.937 6.632 2.168 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.968 8.882 2.688 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.861 5.894 2.918 1.00 0.00 C ATOM 0 H ILE X 44 70.416 8.127 0.114 1.00 0.00 H new ATOM 0 HA ILE X 44 71.407 9.752 2.286 1.00 0.00 H new ATOM 0 HB ILE X 44 70.594 7.920 3.730 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.643 6.714 1.122 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.853 6.042 2.196 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.190 8.387 3.269 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.179 9.860 3.122 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.629 9.007 1.660 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.713 4.912 2.470 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.159 5.776 3.960 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.930 6.459 2.868 1.00 0.00 H new ATOM 696 N THR X 45 73.056 7.158 1.200 1.00 0.00 N ATOM 697 CA THR X 45 74.368 6.559 1.277 1.00 0.00 C ATOM 698 C THR X 45 75.422 7.369 0.509 1.00 0.00 C ATOM 699 O THR X 45 76.605 7.347 0.877 1.00 0.00 O ATOM 700 CB THR X 45 74.391 5.074 0.820 1.00 0.00 C ATOM 701 OG1 THR X 45 75.726 4.568 0.898 1.00 0.00 O ATOM 702 CG2 THR X 45 73.881 4.908 -0.602 1.00 0.00 C ATOM 0 H THR X 45 72.452 6.789 0.466 1.00 0.00 H new ATOM 0 HA THR X 45 74.627 6.576 2.336 1.00 0.00 H new ATOM 0 HB THR X 45 73.731 4.517 1.484 1.00 0.00 H new ATOM 0 HG1 THR X 45 76.358 5.316 0.927 1.00 0.00 H new ATOM 0 HG21 THR X 45 73.915 3.855 -0.880 1.00 0.00 H new ATOM 0 HG22 THR X 45 72.854 5.267 -0.664 1.00 0.00 H new ATOM 0 HG23 THR X 45 74.508 5.483 -1.283 1.00 0.00 H new ATOM 710 N GLU X 46 74.991 8.058 -0.545 1.00 0.00 N ATOM 711 CA GLU X 46 75.858 8.812 -1.451 1.00 0.00 C ATOM 712 C GLU X 46 76.876 7.910 -2.129 1.00 0.00 C ATOM 713 O GLU X 46 77.983 8.320 -2.476 1.00 0.00 O ATOM 714 CB GLU X 46 76.470 10.020 -0.757 1.00 0.00 C ATOM 715 CG GLU X 46 75.449 11.113 -0.513 1.00 0.00 C ATOM 716 CD GLU X 46 74.941 11.724 -1.805 1.00 0.00 C ATOM 717 OE1 GLU X 46 73.991 11.199 -2.402 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.499 12.743 -2.244 1.00 0.00 O ATOM 0 H GLU X 46 74.005 8.110 -0.800 1.00 0.00 H new ATOM 0 HA GLU X 46 75.244 9.215 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.904 9.710 0.194 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.284 10.414 -1.366 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.609 10.704 0.048 1.00 0.00 H new ATOM 0 HG3 GLU X 46 75.895 11.893 0.104 1.00 0.00 H new ATOM 725 N HIS X 47 76.437 6.697 -2.402 1.00 0.00 N ATOM 726 CA HIS X 47 77.257 5.705 -3.045 1.00 0.00 C ATOM 727 C HIS X 47 77.151 5.921 -4.558 1.00 0.00 C ATOM 728 O HIS X 47 76.061 6.049 -5.069 1.00 0.00 O ATOM 729 CB HIS X 47 76.772 4.286 -2.676 1.00 0.00 C ATOM 730 CG HIS X 47 77.721 3.211 -3.096 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.564 2.406 -4.198 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.894 2.864 -2.558 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.654 1.628 -4.284 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.483 1.869 -3.317 1.00 0.00 N ATOM 0 H HIS X 47 75.495 6.376 -2.180 1.00 0.00 H new ATOM 0 HA HIS X 47 78.292 5.801 -2.717 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.623 4.229 -1.598 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.803 4.108 -3.142 1.00 0.00 H new ATOM 0 HD2 HIS X 47 79.319 3.296 -1.664 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.819 0.895 -5.060 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.383 1.418 -3.150 1.00 0.00 H new ATOM 742 N PRO X 48 78.263 5.908 -5.300 1.00 0.00 N ATOM 743 CA PRO X 48 78.269 6.220 -6.745 1.00 0.00 C ATOM 744 C PRO X 48 77.602 5.167 -7.578 1.00 0.00 C ATOM 745 O PRO X 48 77.230 5.399 -8.724 1.00 0.00 O ATOM 746 CB PRO X 48 79.742 6.211 -7.099 1.00 0.00 C ATOM 747 CG PRO X 48 80.465 6.287 -5.828 1.00 0.00 C ATOM 748 CD PRO X 48 79.607 5.574 -4.843 1.00 0.00 C ATOM 0 HA PRO X 48 77.738 7.153 -6.936 1.00 0.00 H new ATOM 0 HB2 PRO X 48 80.006 5.305 -7.644 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.994 7.055 -7.742 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.446 5.819 -5.906 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.628 7.323 -5.530 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.784 4.499 -4.853 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.787 5.917 -3.824 1.00 0.00 H new ATOM 756 N ASP X 49 77.410 4.034 -6.990 1.00 0.00 N ATOM 757 CA ASP X 49 76.922 2.921 -7.690 1.00 0.00 C ATOM 758 C ASP X 49 75.697 2.484 -6.949 1.00 0.00 C ATOM 759 O ASP X 49 75.379 1.313 -6.905 1.00 0.00 O ATOM 760 CB ASP X 49 77.923 1.744 -7.691 1.00 0.00 C ATOM 761 CG ASP X 49 79.316 2.071 -8.181 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.553 2.040 -9.406 1.00 0.00 O ATOM 763 OD2 ASP X 49 80.217 2.306 -7.333 1.00 0.00 O ATOM 0 H ASP X 49 77.593 3.865 -6.001 1.00 0.00 H new ATOM 0 HA ASP X 49 76.736 3.193 -8.729 1.00 0.00 H new ATOM 0 HB2 ASP X 49 77.997 1.352 -6.676 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.517 0.946 -8.312 1.00 0.00 H new ATOM 768 N GLY X 50 75.043 3.463 -6.312 1.00 0.00 N ATOM 769 CA GLY X 50 73.868 3.243 -5.477 1.00 0.00 C ATOM 770 C GLY X 50 72.896 2.352 -6.073 1.00 0.00 C ATOM 771 O GLY X 50 72.644 1.272 -5.564 1.00 0.00 O ATOM 0 H GLY X 50 75.323 4.442 -6.366 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.185 2.833 -4.518 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.393 4.202 -5.272 1.00 0.00 H new ATOM 775 N THR X 51 72.455 2.705 -7.179 1.00 0.00 N ATOM 776 CA THR X 51 71.378 1.989 -7.754 1.00 0.00 C ATOM 777 C THR X 51 71.862 0.658 -8.318 1.00 0.00 C ATOM 778 O THR X 51 71.170 -0.364 -8.206 1.00 0.00 O ATOM 779 CB THR X 51 70.663 2.826 -8.788 1.00 0.00 C ATOM 780 OG1 THR X 51 70.956 4.236 -8.536 1.00 0.00 O ATOM 781 CG2 THR X 51 69.184 2.619 -8.610 1.00 0.00 C ATOM 0 H THR X 51 72.807 3.488 -7.730 1.00 0.00 H new ATOM 0 HA THR X 51 70.650 1.764 -6.974 1.00 0.00 H new ATOM 0 HB THR X 51 70.982 2.545 -9.792 1.00 0.00 H new ATOM 0 HG1 THR X 51 71.741 4.505 -9.057 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.642 3.213 -9.346 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.945 1.565 -8.748 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.891 2.929 -7.607 1.00 0.00 H new ATOM 789 N ALA X 52 73.094 0.663 -8.811 1.00 0.00 N ATOM 790 CA ALA X 52 73.742 -0.517 -9.334 1.00 0.00 C ATOM 791 C ALA X 52 73.829 -1.582 -8.278 1.00 0.00 C ATOM 792 O ALA X 52 73.640 -2.747 -8.582 1.00 0.00 O ATOM 793 CB ALA X 52 75.111 -0.171 -9.865 1.00 0.00 C ATOM 0 H ALA X 52 73.673 1.502 -8.856 1.00 0.00 H new ATOM 0 HA ALA X 52 73.145 -0.907 -10.158 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.588 -1.070 -10.256 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.016 0.566 -10.663 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.720 0.242 -9.060 1.00 0.00 H new ATOM 799 N LEU X 53 74.066 -1.169 -7.029 1.00 0.00 N ATOM 800 CA LEU X 53 74.117 -2.091 -5.904 1.00 0.00 C ATOM 801 C LEU X 53 72.837 -2.871 -5.755 1.00 0.00 C ATOM 802 O LEU X 53 72.886 -4.068 -5.551 1.00 0.00 O ATOM 803 CB LEU X 53 74.426 -1.395 -4.586 1.00 0.00 C ATOM 804 CG LEU X 53 75.808 -0.787 -4.435 1.00 0.00 C ATOM 805 CD1 LEU X 53 75.984 -0.293 -3.028 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.889 -1.792 -4.774 1.00 0.00 C ATOM 0 H LEU X 53 74.226 -0.194 -6.777 1.00 0.00 H new ATOM 0 HA LEU X 53 74.933 -2.777 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.690 -0.604 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.283 -2.116 -3.781 1.00 0.00 H new ATOM 0 HG LEU X 53 75.898 0.047 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU X 53 76.976 0.144 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.229 0.462 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.875 -1.126 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.868 -1.327 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.812 -2.649 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.767 -2.124 -5.805 1.00 0.00 H new ATOM 818 N ILE X 54 71.679 -2.207 -5.860 1.00 0.00 N ATOM 819 CA ILE X 54 70.412 -2.970 -5.706 1.00 0.00 C ATOM 820 C ILE X 54 70.249 -3.924 -6.867 1.00 0.00 C ATOM 821 O ILE X 54 69.879 -5.095 -6.698 1.00 0.00 O ATOM 822 CB ILE X 54 69.092 -2.149 -5.572 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.197 -1.051 -4.536 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.935 -3.078 -5.214 1.00 0.00 C ATOM 825 CD1 ILE X 54 69.671 0.244 -5.106 1.00 0.00 C ATOM 0 H ILE X 54 71.580 -1.208 -6.039 1.00 0.00 H new ATOM 0 HA ILE X 54 70.537 -3.469 -4.745 1.00 0.00 H new ATOM 0 HB ILE X 54 68.910 -1.675 -6.537 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.222 -0.902 -4.072 1.00 0.00 H new ATOM 0 HG13 ILE X 54 69.880 -1.367 -3.748 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.017 -2.497 -5.122 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.814 -3.827 -5.997 1.00 0.00 H new ATOM 0 HG23 ILE X 54 68.147 -3.574 -4.267 1.00 0.00 H new ATOM 0 HD11 ILE X 54 69.726 0.992 -4.315 1.00 0.00 H new ATOM 0 HD12 ILE X 54 70.659 0.108 -5.546 1.00 0.00 H new ATOM 0 HD13 ILE X 54 68.975 0.580 -5.875 1.00 0.00 H new ATOM 837 N TYR X 55 70.541 -3.409 -8.042 1.00 0.00 N ATOM 838 CA TYR X 55 70.491 -4.170 -9.262 1.00 0.00 C ATOM 839 C TYR X 55 71.352 -5.423 -9.168 1.00 0.00 C ATOM 840 O TYR X 55 70.894 -6.530 -9.507 1.00 0.00 O ATOM 841 CB TYR X 55 70.904 -3.303 -10.441 1.00 0.00 C ATOM 842 CG TYR X 55 69.794 -2.449 -11.017 1.00 0.00 C ATOM 843 CD1 TYR X 55 69.476 -1.223 -10.467 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.063 -2.879 -12.118 1.00 0.00 C ATOM 845 CE1 TYR X 55 68.471 -0.443 -10.982 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.049 -2.102 -12.646 1.00 0.00 C ATOM 847 CZ TYR X 55 67.760 -0.884 -12.073 1.00 0.00 C ATOM 848 OH TYR X 55 66.747 -0.101 -12.587 1.00 0.00 O ATOM 0 H TYR X 55 70.823 -2.438 -8.174 1.00 0.00 H new ATOM 0 HA TYR X 55 69.463 -4.496 -9.420 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.720 -2.652 -10.128 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.295 -3.947 -11.229 1.00 0.00 H new ATOM 0 HD1 TYR X 55 70.031 -0.869 -9.611 1.00 0.00 H new ATOM 0 HD2 TYR X 55 69.291 -3.834 -12.568 1.00 0.00 H new ATOM 0 HE1 TYR X 55 68.240 0.512 -10.533 1.00 0.00 H new ATOM 0 HE2 TYR X 55 67.488 -2.448 -13.501 1.00 0.00 H new ATOM 0 HH TYR X 55 66.343 -0.553 -13.357 1.00 0.00 H new ATOM 858 N GLU X 56 72.575 -5.272 -8.692 1.00 0.00 N ATOM 859 CA GLU X 56 73.424 -6.412 -8.491 1.00 0.00 C ATOM 860 C GLU X 56 72.981 -7.264 -7.326 1.00 0.00 C ATOM 861 O GLU X 56 73.037 -8.455 -7.416 1.00 0.00 O ATOM 862 CB GLU X 56 74.928 -6.099 -8.477 1.00 0.00 C ATOM 863 CG GLU X 56 75.382 -4.968 -7.608 1.00 0.00 C ATOM 864 CD GLU X 56 76.855 -4.751 -7.758 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.265 -4.077 -8.706 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.638 -5.279 -6.972 1.00 0.00 O ATOM 0 H GLU X 56 72.992 -4.375 -8.442 1.00 0.00 H new ATOM 0 HA GLU X 56 73.292 -7.018 -9.387 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.458 -6.999 -8.165 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.238 -5.885 -9.500 1.00 0.00 H new ATOM 0 HG2 GLU X 56 74.845 -4.058 -7.875 1.00 0.00 H new ATOM 0 HG3 GLU X 56 75.144 -5.184 -6.566 1.00 0.00 H new ATOM 873 N ALA X 57 72.487 -6.654 -6.255 1.00 0.00 N ATOM 874 CA ALA X 57 72.011 -7.403 -5.084 1.00 0.00 C ATOM 875 C ALA X 57 70.928 -8.378 -5.476 1.00 0.00 C ATOM 876 O ALA X 57 70.952 -9.529 -5.063 1.00 0.00 O ATOM 877 CB ALA X 57 71.500 -6.468 -4.000 1.00 0.00 C ATOM 0 H ALA X 57 72.403 -5.641 -6.167 1.00 0.00 H new ATOM 0 HA ALA X 57 72.859 -7.959 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.155 -7.053 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.304 -5.804 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.673 -5.875 -4.391 1.00 0.00 H new ATOM 1025 N GLY X 71 71.278 -10.559 -1.184 1.00 0.00 N ATOM 1026 CA GLY X 71 70.125 -10.251 -0.437 1.00 0.00 C ATOM 1027 C GLY X 71 70.137 -8.830 0.054 1.00 0.00 C ATOM 1028 O GLY X 71 71.144 -8.112 -0.103 1.00 0.00 O ATOM 0 HA2 GLY X 71 69.240 -10.415 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY X 71 70.052 -10.928 0.414 1.00 0.00 H new ATOM 1032 N PRO X 72 69.038 -8.399 0.664 1.00 0.00 N ATOM 1033 CA PRO X 72 68.880 -7.054 1.176 1.00 0.00 C ATOM 1034 C PRO X 72 69.878 -6.748 2.275 1.00 0.00 C ATOM 1035 O PRO X 72 70.436 -5.665 2.336 1.00 0.00 O ATOM 1036 CB PRO X 72 67.454 -7.020 1.719 1.00 0.00 C ATOM 1037 CG PRO X 72 67.046 -8.444 1.868 1.00 0.00 C ATOM 1038 CD PRO X 72 67.845 -9.219 0.878 1.00 0.00 C ATOM 0 HA PRO X 72 69.057 -6.305 0.404 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.411 -6.498 2.675 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.788 -6.491 1.037 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.235 -8.798 2.881 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.978 -8.563 1.683 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.103 -10.207 1.260 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.293 -9.370 -0.050 1.00 0.00 H new ATOM 1046 N GLU X 73 70.139 -7.721 3.111 1.00 0.00 N ATOM 1047 CA GLU X 73 71.066 -7.559 4.202 1.00 0.00 C ATOM 1048 C GLU X 73 72.526 -7.511 3.732 1.00 0.00 C ATOM 1049 O GLU X 73 73.435 -7.349 4.540 1.00 0.00 O ATOM 1050 CB GLU X 73 70.855 -8.633 5.246 1.00 0.00 C ATOM 1051 CG GLU X 73 69.435 -8.680 5.769 1.00 0.00 C ATOM 1052 CD GLU X 73 69.229 -9.788 6.758 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.238 -10.959 6.350 1.00 0.00 O ATOM 1054 OE2 GLU X 73 69.038 -9.512 7.955 1.00 0.00 O ATOM 0 H GLU X 73 69.715 -8.647 3.054 1.00 0.00 H new ATOM 0 HA GLU X 73 70.860 -6.591 4.659 1.00 0.00 H new ATOM 0 HB2 GLU X 73 71.111 -9.602 4.819 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.537 -8.461 6.079 1.00 0.00 H new ATOM 0 HG2 GLU X 73 69.191 -7.727 6.239 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.747 -8.809 4.934 1.00 0.00 H new ATOM 1061 N GLY X 74 72.752 -7.622 2.451 1.00 0.00 N ATOM 1062 CA GLY X 74 74.093 -7.496 1.973 1.00 0.00 C ATOM 1063 C GLY X 74 74.365 -6.199 1.270 1.00 0.00 C ATOM 1064 O GLY X 74 75.516 -5.767 1.204 1.00 0.00 O ATOM 0 H GLY X 74 72.042 -7.795 1.739 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.779 -7.594 2.814 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.305 -8.320 1.291 1.00 0.00 H new ATOM 1068 N ILE X 75 73.321 -5.549 0.770 1.00 0.00 N ATOM 1069 CA ILE X 75 73.491 -4.240 0.115 1.00 0.00 C ATOM 1070 C ILE X 75 73.913 -3.243 1.171 1.00 0.00 C ATOM 1071 O ILE X 75 74.803 -2.442 0.980 1.00 0.00 O ATOM 1072 CB ILE X 75 72.186 -3.700 -0.528 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.086 -4.773 -0.582 1.00 0.00 C ATOM 1074 CG2 ILE X 75 72.484 -3.148 -1.915 1.00 0.00 C ATOM 1075 CD1 ILE X 75 69.793 -4.300 -1.212 1.00 0.00 C ATOM 0 H ILE X 75 72.361 -5.892 0.800 1.00 0.00 H new ATOM 0 HA ILE X 75 74.228 -4.369 -0.678 1.00 0.00 H new ATOM 0 HB ILE X 75 71.807 -2.894 0.100 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.458 -5.632 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE X 75 70.879 -5.118 0.431 1.00 0.00 H new ATOM 0 HG21 ILE X 75 71.564 -2.770 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE X 75 73.209 -2.337 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.893 -3.940 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.069 -5.115 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE X 75 69.395 -3.461 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE X 75 69.983 -3.983 -2.237 1.00 0.00 H new ATOM 1087 N VAL X 76 73.254 -3.348 2.305 1.00 0.00 N ATOM 1088 CA VAL X 76 73.515 -2.536 3.489 1.00 0.00 C ATOM 1089 C VAL X 76 74.909 -2.688 3.963 1.00 0.00 C ATOM 1090 O VAL X 76 75.543 -1.732 4.359 1.00 0.00 O ATOM 1091 CB VAL X 76 72.533 -2.912 4.613 1.00 0.00 C ATOM 1092 CG1 VAL X 76 72.274 -4.367 4.698 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.807 -2.273 5.967 1.00 0.00 C ATOM 0 H VAL X 76 72.498 -4.019 2.439 1.00 0.00 H new ATOM 0 HA VAL X 76 73.371 -1.492 3.213 1.00 0.00 H new ATOM 0 HB VAL X 76 71.598 -2.449 4.298 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.574 -4.565 5.510 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.847 -4.716 3.758 1.00 0.00 H new ATOM 0 HG13 VAL X 76 73.210 -4.893 4.889 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.057 -2.605 6.685 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.797 -2.567 6.315 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.763 -1.188 5.873 1.00 0.00 H new ATOM 1103 N LYS X 77 75.357 -3.887 3.931 1.00 0.00 N ATOM 1104 CA LYS X 77 76.711 -4.206 4.299 1.00 0.00 C ATOM 1105 C LYS X 77 77.683 -3.463 3.388 1.00 0.00 C ATOM 1106 O LYS X 77 78.564 -2.781 3.866 1.00 0.00 O ATOM 1107 CB LYS X 77 76.949 -5.695 4.238 1.00 0.00 C ATOM 1108 CG LYS X 77 78.262 -6.121 4.858 1.00 0.00 C ATOM 1109 CD LYS X 77 78.437 -7.617 4.780 1.00 0.00 C ATOM 1110 CE LYS X 77 78.614 -8.111 3.354 1.00 0.00 C ATOM 1111 NZ LYS X 77 79.823 -7.559 2.703 1.00 0.00 N ATOM 0 H LYS X 77 74.799 -4.693 3.648 1.00 0.00 H new ATOM 0 HA LYS X 77 76.879 -3.886 5.327 1.00 0.00 H new ATOM 0 HB2 LYS X 77 76.133 -6.207 4.747 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.926 -6.016 3.197 1.00 0.00 H new ATOM 0 HG2 LYS X 77 79.087 -5.628 4.345 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.297 -5.801 5.899 1.00 0.00 H new ATOM 0 HD2 LYS X 77 79.304 -7.909 5.372 1.00 0.00 H new ATOM 0 HD3 LYS X 77 77.569 -8.104 5.224 1.00 0.00 H new ATOM 0 HE2 LYS X 77 78.672 -9.199 3.356 1.00 0.00 H new ATOM 0 HE3 LYS X 77 77.735 -7.840 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 79.858 -7.874 1.713 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 79.791 -6.520 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 80.671 -7.894 3.204 1.00 0.00 H new ATOM 1125 N GLU X 78 77.444 -3.541 2.084 1.00 0.00 N ATOM 1126 CA GLU X 78 78.254 -2.817 1.077 1.00 0.00 C ATOM 1127 C GLU X 78 78.230 -1.315 1.366 1.00 0.00 C ATOM 1128 O GLU X 78 79.264 -0.637 1.386 1.00 0.00 O ATOM 1129 CB GLU X 78 77.667 -3.080 -0.317 1.00 0.00 C ATOM 1130 CG GLU X 78 77.848 -4.493 -0.778 1.00 0.00 C ATOM 1131 CD GLU X 78 77.361 -4.710 -2.169 1.00 0.00 C ATOM 1132 OE1 GLU X 78 76.147 -4.809 -2.365 1.00 0.00 O ATOM 1133 OE2 GLU X 78 78.206 -4.833 -3.097 1.00 0.00 O ATOM 0 H GLU X 78 76.691 -4.101 1.684 1.00 0.00 H new ATOM 0 HA GLU X 78 79.285 -3.168 1.120 1.00 0.00 H new ATOM 0 HB2 GLU X 78 76.603 -2.842 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU X 78 78.137 -2.408 -1.035 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.904 -4.757 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU X 78 77.316 -5.162 -0.102 1.00 0.00 H new ATOM 1140 N ILE X 79 77.049 -0.840 1.644 1.00 0.00 N ATOM 1141 CA ILE X 79 76.803 0.547 2.015 1.00 0.00 C ATOM 1142 C ILE X 79 77.538 0.933 3.309 1.00 0.00 C ATOM 1143 O ILE X 79 78.105 2.036 3.422 1.00 0.00 O ATOM 1144 CB ILE X 79 75.258 0.822 2.147 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.564 0.688 0.788 1.00 0.00 C ATOM 1146 CG2 ILE X 79 74.942 2.156 2.789 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.147 1.570 -0.289 1.00 0.00 C ATOM 0 H ILE X 79 76.203 -1.410 1.622 1.00 0.00 H new ATOM 0 HA ILE X 79 77.201 1.174 1.217 1.00 0.00 H new ATOM 0 HB ILE X 79 74.865 0.060 2.820 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.622 -0.351 0.463 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.507 0.927 0.906 1.00 0.00 H new ATOM 0 HG21 ILE X 79 73.861 2.283 2.850 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.368 2.187 3.792 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.369 2.959 2.188 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.601 1.417 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.065 2.614 0.012 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.197 1.317 -0.438 1.00 0.00 H new ATOM 1159 N LYS X 80 77.540 0.045 4.263 1.00 0.00 N ATOM 1160 CA LYS X 80 78.165 0.299 5.533 1.00 0.00 C ATOM 1161 C LYS X 80 79.683 0.294 5.374 1.00 0.00 C ATOM 1162 O LYS X 80 80.372 1.161 5.918 1.00 0.00 O ATOM 1163 CB LYS X 80 77.665 -0.720 6.599 1.00 0.00 C ATOM 1164 CG LYS X 80 78.615 -1.859 6.984 1.00 0.00 C ATOM 1165 CD LYS X 80 77.902 -2.940 7.797 1.00 0.00 C ATOM 1166 CE LYS X 80 77.165 -2.398 9.017 1.00 0.00 C ATOM 1167 NZ LYS X 80 78.055 -1.823 10.036 1.00 0.00 N ATOM 0 H LYS X 80 77.109 -0.876 4.183 1.00 0.00 H new ATOM 0 HA LYS X 80 77.882 1.288 5.892 1.00 0.00 H new ATOM 0 HB2 LYS X 80 77.418 -0.166 7.505 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.738 -1.163 6.234 1.00 0.00 H new ATOM 0 HG2 LYS X 80 79.037 -2.301 6.082 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.448 -1.459 7.562 1.00 0.00 H new ATOM 0 HD2 LYS X 80 77.191 -3.458 7.153 1.00 0.00 H new ATOM 0 HD3 LYS X 80 78.633 -3.679 8.123 1.00 0.00 H new ATOM 0 HE2 LYS X 80 76.456 -1.635 8.694 1.00 0.00 H new ATOM 0 HE3 LYS X 80 76.584 -3.203 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 77.488 -1.475 10.835 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 78.715 -2.553 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 78.592 -1.034 9.623 1.00 0.00 H new ATOM 1181 N GLU X 81 80.178 -0.632 4.566 1.00 0.00 N ATOM 1182 CA GLU X 81 81.591 -0.783 4.322 1.00 0.00 C ATOM 1183 C GLU X 81 82.158 0.408 3.565 1.00 0.00 C ATOM 1184 O GLU X 81 83.227 0.916 3.912 1.00 0.00 O ATOM 1185 CB GLU X 81 81.890 -2.102 3.596 1.00 0.00 C ATOM 1186 CG GLU X 81 81.555 -3.344 4.420 1.00 0.00 C ATOM 1187 CD GLU X 81 81.820 -4.631 3.686 1.00 0.00 C ATOM 1188 OE1 GLU X 81 83.004 -5.060 3.610 1.00 0.00 O ATOM 1189 OE2 GLU X 81 80.877 -5.244 3.172 1.00 0.00 O ATOM 0 H GLU X 81 79.599 -1.302 4.060 1.00 0.00 H new ATOM 0 HA GLU X 81 82.089 -0.818 5.291 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.324 -2.131 2.665 1.00 0.00 H new ATOM 0 HB3 GLU X 81 82.946 -2.128 3.328 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.140 -3.331 5.340 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.505 -3.308 4.709 1.00 0.00 H new ATOM 1196 N TRP X 82 81.426 0.882 2.572 1.00 0.00 N ATOM 1197 CA TRP X 82 81.866 2.009 1.767 1.00 0.00 C ATOM 1198 C TRP X 82 81.973 3.277 2.624 1.00 0.00 C ATOM 1199 O TRP X 82 82.990 3.991 2.563 1.00 0.00 O ATOM 1200 CB TRP X 82 80.920 2.225 0.597 1.00 0.00 C ATOM 1201 CG TRP X 82 81.434 3.158 -0.467 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.262 2.832 -1.502 1.00 0.00 C ATOM 1203 CD2 TRP X 82 81.125 4.551 -0.626 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.479 3.928 -2.299 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.796 4.994 -1.786 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.350 5.459 0.090 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.707 6.302 -2.243 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 80.266 6.756 -0.360 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.937 7.169 -1.519 1.00 0.00 C ATOM 0 H TRP X 82 80.519 0.501 2.302 1.00 0.00 H new ATOM 0 HA TRP X 82 82.856 1.785 1.370 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.704 1.259 0.140 1.00 0.00 H new ATOM 0 HB3 TRP X 82 79.977 2.616 0.978 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.685 1.853 -1.670 1.00 0.00 H new ATOM 0 HE1 TRP X 82 83.057 3.944 -3.139 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.825 5.151 0.982 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 82.225 6.622 -3.135 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.671 7.470 0.190 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.844 8.194 -1.847 1.00 0.00 H new ATOM 1220 N ARG X 83 80.941 3.558 3.443 1.00 0.00 N ATOM 1221 CA ARG X 83 81.015 4.715 4.334 1.00 0.00 C ATOM 1222 C ARG X 83 82.068 4.567 5.392 1.00 0.00 C ATOM 1223 O ARG X 83 82.766 5.532 5.682 1.00 0.00 O ATOM 1224 CB ARG X 83 79.696 5.151 4.989 1.00 0.00 C ATOM 1225 CG ARG X 83 78.840 6.071 4.147 1.00 0.00 C ATOM 1226 CD ARG X 83 77.864 5.330 3.249 1.00 0.00 C ATOM 1227 NE ARG X 83 76.974 4.504 4.035 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.067 4.984 4.868 1.00 0.00 C ATOM 1229 NH1 ARG X 83 75.850 6.299 4.911 1.00 0.00 N ATOM 1230 NH2 ARG X 83 75.363 4.155 5.641 1.00 0.00 N ATOM 0 H ARG X 83 80.078 3.017 3.502 1.00 0.00 H new ATOM 0 HA ARG X 83 81.289 5.514 3.645 1.00 0.00 H new ATOM 0 HB2 ARG X 83 79.116 4.261 5.232 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.923 5.651 5.931 1.00 0.00 H new ATOM 0 HG2 ARG X 83 78.283 6.739 4.804 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.487 6.695 3.531 1.00 0.00 H new ATOM 0 HD2 ARG X 83 77.284 6.045 2.665 1.00 0.00 H new ATOM 0 HD3 ARG X 83 78.413 4.710 2.540 1.00 0.00 H new ATOM 0 HE ARG X 83 77.051 3.491 3.941 1.00 0.00 H new ATOM 0 HH11 ARG X 83 76.382 6.924 4.305 1.00 0.00 H new ATOM 0 HH12 ARG X 83 75.152 6.680 5.550 1.00 0.00 H new ATOM 0 HH21 ARG X 83 75.524 3.149 5.590 1.00 0.00 H new ATOM 0 HH22 ARG X 83 74.663 4.527 6.283 1.00 0.00 H new ATOM 1244 N ALA X 84 82.205 3.371 5.946 1.00 0.00 N ATOM 1245 CA ALA X 84 83.184 3.120 7.001 1.00 0.00 C ATOM 1246 C ALA X 84 84.596 3.308 6.483 1.00 0.00 C ATOM 1247 O ALA X 84 85.443 3.891 7.155 1.00 0.00 O ATOM 1248 CB ALA X 84 83.012 1.730 7.595 1.00 0.00 C ATOM 0 H ALA X 84 81.651 2.556 5.684 1.00 0.00 H new ATOM 0 HA ALA X 84 83.009 3.847 7.794 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.755 1.574 8.377 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.013 1.637 8.020 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.145 0.982 6.814 1.00 0.00 H new ATOM 1254 N ALA X 85 84.832 2.842 5.275 1.00 0.00 N ATOM 1255 CA ALA X 85 86.128 2.973 4.644 1.00 0.00 C ATOM 1256 C ALA X 85 86.440 4.432 4.345 1.00 0.00 C ATOM 1257 O ALA X 85 87.576 4.880 4.501 1.00 0.00 O ATOM 1258 CB ALA X 85 86.175 2.151 3.368 1.00 0.00 C ATOM 0 H ALA X 85 84.134 2.364 4.705 1.00 0.00 H new ATOM 0 HA ALA X 85 86.884 2.598 5.333 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.155 2.258 2.902 1.00 0.00 H new ATOM 0 HB2 ALA X 85 85.998 1.102 3.604 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.406 2.503 2.680 1.00 0.00 H new ATOM 1264 N ASN X 86 85.422 5.173 3.961 1.00 0.00 N ATOM 1265 CA ASN X 86 85.591 6.574 3.579 1.00 0.00 C ATOM 1266 C ASN X 86 85.744 7.452 4.825 1.00 0.00 C ATOM 1267 O ASN X 86 86.674 8.258 4.935 1.00 0.00 O ATOM 1268 CB ASN X 86 84.360 7.063 2.810 1.00 0.00 C ATOM 1269 CG ASN X 86 84.626 8.319 1.999 1.00 0.00 C ATOM 1270 OD1 ASN X 86 84.594 9.430 2.517 1.00 0.00 O ATOM 1271 ND2 ASN X 86 84.791 8.164 0.715 1.00 0.00 N ATOM 0 H ASN X 86 84.462 4.834 3.902 1.00 0.00 H new ATOM 0 HA ASN X 86 86.483 6.646 2.956 1.00 0.00 H new ATOM 0 HB2 ASN X 86 84.018 6.272 2.143 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.552 7.257 3.515 1.00 0.00 H new ATOM 0 HD21 ASN X 86 84.898 8.980 0.112 1.00 0.00 H new ATOM 0 HD22 ASN X 86 84.813 7.227 0.313 1.00 0.00 H new ATOM 1278 N GLY X 87 84.843 7.263 5.763 1.00 0.00 N ATOM 1279 CA GLY X 87 84.777 8.097 6.942 1.00 0.00 C ATOM 1280 C GLY X 87 83.522 8.944 6.916 1.00 0.00 C ATOM 1281 O GLY X 87 83.477 10.038 7.465 1.00 0.00 O ATOM 0 H GLY X 87 84.136 6.528 5.730 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.786 7.475 7.837 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.656 8.739 6.992 1.00 0.00 H new ATOM 1285 N LYS X 88 82.503 8.431 6.256 1.00 0.00 N ATOM 1286 CA LYS X 88 81.269 9.089 6.106 1.00 0.00 C ATOM 1287 C LYS X 88 80.272 8.555 7.119 1.00 0.00 C ATOM 1288 O LYS X 88 80.421 7.409 7.584 1.00 0.00 O ATOM 1289 CB LYS X 88 80.770 8.823 4.709 1.00 0.00 C ATOM 1290 CG LYS X 88 81.450 9.611 3.622 1.00 0.00 C ATOM 1291 CD LYS X 88 80.895 9.259 2.254 1.00 0.00 C ATOM 1292 CE LYS X 88 81.637 9.998 1.151 1.00 0.00 C ATOM 1293 NZ LYS X 88 81.434 11.466 1.190 1.00 0.00 N ATOM 0 H LYS X 88 82.536 7.517 5.805 1.00 0.00 H new ATOM 0 HA LYS X 88 81.388 10.160 6.271 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.890 7.761 4.494 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.702 9.037 4.676 1.00 0.00 H new ATOM 0 HG2 LYS X 88 81.318 10.677 3.807 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.522 9.414 3.643 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.975 8.184 2.092 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.835 9.510 2.214 1.00 0.00 H new ATOM 0 HE2 LYS X 88 82.703 9.783 1.232 1.00 0.00 H new ATOM 0 HE3 LYS X 88 81.308 9.618 0.184 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 81.895 11.902 0.366 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 80.416 11.676 1.169 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 81.849 11.851 2.062 1.00 0.00 H new ATOM 1307 N PRO X 89 79.251 9.359 7.474 1.00 0.00 N ATOM 1308 CA PRO X 89 78.228 8.956 8.426 1.00 0.00 C ATOM 1309 C PRO X 89 77.434 7.766 7.933 1.00 0.00 C ATOM 1310 O PRO X 89 76.684 7.868 6.964 1.00 0.00 O ATOM 1311 CB PRO X 89 77.328 10.192 8.577 1.00 0.00 C ATOM 1312 CG PRO X 89 77.597 11.018 7.367 1.00 0.00 C ATOM 1313 CD PRO X 89 79.017 10.734 6.979 1.00 0.00 C ATOM 0 HA PRO X 89 78.665 8.639 9.373 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.277 9.909 8.636 1.00 0.00 H new ATOM 0 HB3 PRO X 89 77.562 10.741 9.489 1.00 0.00 H new ATOM 0 HG2 PRO X 89 76.913 10.760 6.559 1.00 0.00 H new ATOM 0 HG3 PRO X 89 77.455 12.078 7.579 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.158 10.800 5.900 1.00 0.00 H new ATOM 0 HD3 PRO X 89 79.706 11.446 7.434 1.00 0.00 H new ATOM 1321 N GLY X 90 77.623 6.642 8.584 1.00 0.00 N ATOM 1322 CA GLY X 90 76.963 5.445 8.180 1.00 0.00 C ATOM 1323 C GLY X 90 75.588 5.324 8.764 1.00 0.00 C ATOM 1324 O GLY X 90 74.689 6.081 8.401 1.00 0.00 O ATOM 0 H GLY X 90 78.232 6.542 9.396 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.896 5.420 7.092 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.560 4.585 8.482 1.00 0.00 H new ATOM 1328 N PHE X 91 75.414 4.396 9.650 1.00 0.00 N ATOM 1329 CA PHE X 91 74.108 4.187 10.259 1.00 0.00 C ATOM 1330 C PHE X 91 74.129 4.611 11.695 1.00 0.00 C ATOM 1331 O PHE X 91 75.209 4.815 12.284 1.00 0.00 O ATOM 1332 CB PHE X 91 73.662 2.720 10.177 1.00 0.00 C ATOM 1333 CG PHE X 91 73.649 2.175 8.797 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.747 2.642 7.873 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.547 1.196 8.420 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.741 2.151 6.596 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.540 0.699 7.145 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.640 1.178 6.229 1.00 0.00 C ATOM 0 H PHE X 91 76.146 3.766 9.977 1.00 0.00 H new ATOM 0 HA PHE X 91 73.396 4.794 9.700 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.327 2.113 10.791 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.663 2.629 10.603 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.036 3.404 8.157 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.261 0.819 9.138 1.00 0.00 H new ATOM 0 HE1 PHE X 91 72.030 2.528 5.876 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.243 -0.070 6.861 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.637 0.792 5.220 1.00 0.00 H new ATOM 1348 N LYS X 92 72.967 4.775 12.255 1.00 0.00 N ATOM 1349 CA LYS X 92 72.836 5.070 13.620 1.00 0.00 C ATOM 1350 C LYS X 92 72.703 3.760 14.356 1.00 0.00 C ATOM 1351 O LYS X 92 72.488 2.703 13.748 1.00 0.00 O ATOM 1352 CB LYS X 92 71.588 5.904 13.846 1.00 0.00 C ATOM 1353 CG LYS X 92 70.282 5.142 13.718 1.00 0.00 C ATOM 1354 CD LYS X 92 69.066 6.019 13.922 1.00 0.00 C ATOM 1355 CE LYS X 92 68.969 6.618 15.310 1.00 0.00 C ATOM 1356 NZ LYS X 92 67.775 7.485 15.421 1.00 0.00 N ATOM 0 H LYS X 92 72.081 4.703 11.755 1.00 0.00 H new ATOM 0 HA LYS X 92 73.701 5.630 13.976 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.639 6.346 14.841 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.584 6.727 13.132 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.231 4.682 12.731 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.266 4.333 14.448 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.084 6.826 13.189 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.169 5.431 13.727 1.00 0.00 H new ATOM 0 HE2 LYS X 92 68.917 5.822 16.053 1.00 0.00 H new ATOM 0 HE3 LYS X 92 69.867 7.197 15.526 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.017 8.343 15.957 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 67.450 7.751 14.470 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.017 6.971 15.914 1.00 0.00 H new ATOM 1370 N GLN X 93 72.810 3.816 15.616 1.00 0.00 N ATOM 1371 CA GLN X 93 72.668 2.675 16.428 1.00 0.00 C ATOM 1372 C GLN X 93 71.240 2.575 16.888 1.00 0.00 C ATOM 1373 O GLN X 93 70.608 3.586 17.200 1.00 0.00 O ATOM 1374 CB GLN X 93 73.591 2.772 17.611 1.00 0.00 C ATOM 1375 CG GLN X 93 75.060 2.382 17.352 1.00 0.00 C ATOM 1376 CD GLN X 93 75.857 3.341 16.462 1.00 0.00 C ATOM 1377 OE1 GLN X 93 76.743 2.912 15.719 1.00 0.00 O ATOM 1378 NE2 GLN X 93 75.609 4.624 16.569 1.00 0.00 N ATOM 0 H GLN X 93 73.004 4.675 16.131 1.00 0.00 H new ATOM 0 HA GLN X 93 72.927 1.782 15.859 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.567 3.796 17.983 1.00 0.00 H new ATOM 0 HB3 GLN X 93 73.201 2.135 18.405 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.569 2.300 18.312 1.00 0.00 H new ATOM 0 HG3 GLN X 93 75.078 1.392 16.895 1.00 0.00 H new ATOM 0 HE21 GLN X 93 74.870 4.950 17.192 1.00 0.00 H new ATOM 0 HE22 GLN X 93 76.155 5.296 16.030 1.00 0.00 H new ATOM 1387 N GLY X 94 70.746 1.391 16.892 1.00 0.00 N ATOM 1388 CA GLY X 94 69.406 1.124 17.306 1.00 0.00 C ATOM 1389 C GLY X 94 68.845 0.030 16.458 1.00 0.00 C ATOM 1390 O GLY X 94 69.643 -0.775 15.937 1.00 0.00 O ATOM 1391 OXT GLY X 94 67.625 -0.084 16.303 1.00 0.00 O ATOM 0 H GLY X 94 71.266 0.562 16.604 1.00 0.00 H new ATOM 0 HA2 GLY X 94 69.387 0.834 18.356 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.797 2.023 17.213 1.00 0.00 H new