USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 ASN : amide:sc= -6.65! C(o=-6.6!,f=-5.7!) USER MOD Single : A 9 THR OG1 : rot 16:sc= 0.152 USER MOD Single : A 11 ASN : amide:sc= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 13 ASN : amide:sc= -4.72 K(o=-4.7,f=-8.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -8.3! C(o=-8.3!,f=-5.3!) USER MOD Single : A 25 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 39:sc= 0.346 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -8.87! C(o=-8.9!,f=-8.6!) USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0405) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -2.01 (180deg=-2.33!) USER MOD Single : A 52 SER OG : rot -86:sc= 0.254 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0968 USER MOD Single : A 58 MET CE :methyl -158:sc= -0.153 (180deg=-1.06) USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= -0.119 (180deg=-0.748) USER MOD Single : A 63 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-3.6!) USER MOD Single : A 71 GLN : amide:sc= -9.52! C(o=-9.5!,f=-14!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -3.96! K(o=-4!,f=-0.22) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.531 K(o=-0.53,f=0) USER MOD Single : A 93 GLN : amide:sc= -5.36! K(o=-5.4!,f=-0.63) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 72:sc= 0.327 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 64:sc= 0.322 USER MOD Single : A 102 ASN : amide:sc= -2.74! K(o=-2.7!,f=-1.7) USER MOD Single : A 103 GLN : amide:sc= -8.77! C(o=-8.8!,f=-5.5!) USER MOD Single : A 104 LYS NZ :NH3+ -156:sc= 1.85 (180deg=0.808) USER MOD Single : A 105 TYR OH : rot 100:sc= -0.734 USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 10.096 3.906 11.351 1.00 0.00 N ATOM 14 CA ASP A 2 8.877 3.141 10.952 1.00 0.00 C ATOM 15 C ASP A 2 8.359 3.685 9.624 1.00 0.00 C ATOM 16 O ASP A 2 7.547 3.074 8.958 1.00 0.00 O ATOM 17 CB ASP A 2 7.799 3.358 12.016 1.00 0.00 C ATOM 18 CG ASP A 2 7.967 2.340 13.151 1.00 0.00 C ATOM 19 OD1 ASP A 2 8.164 1.175 12.847 1.00 0.00 O ATOM 20 OD2 ASP A 2 7.895 2.744 14.299 1.00 0.00 O ATOM 0 HA ASP A 2 9.116 2.082 10.855 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.867 4.371 12.413 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.810 3.256 11.569 1.00 0.00 H new ATOM 25 N LEU A 3 8.813 4.839 9.250 1.00 0.00 N ATOM 26 CA LEU A 3 8.348 5.453 7.976 1.00 0.00 C ATOM 27 C LEU A 3 9.248 4.988 6.839 1.00 0.00 C ATOM 28 O LEU A 3 8.789 4.516 5.816 1.00 0.00 O ATOM 29 CB LEU A 3 8.415 6.979 8.087 1.00 0.00 C ATOM 30 CG LEU A 3 7.606 7.453 9.303 1.00 0.00 C ATOM 31 CD1 LEU A 3 7.895 8.935 9.556 1.00 0.00 C ATOM 32 CD2 LEU A 3 6.102 7.259 9.052 1.00 0.00 C ATOM 0 H LEU A 3 9.492 5.392 9.773 1.00 0.00 H new ATOM 0 HA LEU A 3 7.320 5.150 7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.452 7.300 8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.023 7.436 7.178 1.00 0.00 H new ATOM 0 HG LEU A 3 7.896 6.865 10.174 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.322 9.275 10.419 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.959 9.070 9.750 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.610 9.516 8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.541 7.599 9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.801 7.837 8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.895 6.203 8.877 1.00 0.00 H new ATOM 44 N GLU A 4 10.534 5.100 7.020 1.00 0.00 N ATOM 45 CA GLU A 4 11.468 4.645 5.966 1.00 0.00 C ATOM 46 C GLU A 4 11.313 3.141 5.858 1.00 0.00 C ATOM 47 O GLU A 4 11.559 2.534 4.832 1.00 0.00 O ATOM 48 CB GLU A 4 12.909 4.989 6.362 1.00 0.00 C ATOM 49 CD GLU A 4 14.410 6.772 7.268 1.00 0.00 C ATOM 50 OE1 GLU A 4 15.151 5.877 7.638 1.00 0.00 O ATOM 51 OE2 GLU A 4 14.754 7.938 7.150 1.00 0.00 O ATOM 0 H GLU A 4 10.974 5.488 7.854 1.00 0.00 H new ATOM 0 HA GLU A 4 11.250 5.132 5.015 1.00 0.00 H new ATOM 58 N ASP A 5 10.902 2.542 6.936 1.00 0.00 N ATOM 59 CA ASP A 5 10.723 1.073 6.950 1.00 0.00 C ATOM 60 C ASP A 5 9.427 0.704 6.223 1.00 0.00 C ATOM 61 O ASP A 5 9.390 -0.217 5.432 1.00 0.00 O ATOM 62 CB ASP A 5 10.650 0.629 8.406 1.00 0.00 C ATOM 63 CG ASP A 5 10.089 -0.794 8.515 1.00 0.00 C ATOM 64 OD1 ASP A 5 8.881 -0.943 8.406 1.00 0.00 O ATOM 65 OD2 ASP A 5 10.874 -1.708 8.707 1.00 0.00 O ATOM 0 H ASP A 5 10.681 3.013 7.813 1.00 0.00 H new ATOM 0 HA ASP A 5 11.553 0.579 6.444 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.643 0.668 8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.020 1.317 8.969 1.00 0.00 H new ATOM 70 N ASN A 6 8.356 1.405 6.494 1.00 0.00 N ATOM 71 CA ASN A 6 7.075 1.070 5.826 1.00 0.00 C ATOM 72 C ASN A 6 7.324 1.026 4.310 1.00 0.00 C ATOM 73 O ASN A 6 6.922 0.107 3.628 1.00 0.00 O ATOM 74 CB ASN A 6 6.008 2.127 6.203 1.00 0.00 C ATOM 75 CG ASN A 6 5.100 2.429 5.010 1.00 0.00 C ATOM 76 OD1 ASN A 6 3.940 2.068 4.997 1.00 0.00 O ATOM 77 ND2 ASN A 6 5.604 3.067 3.996 1.00 0.00 N ATOM 0 H ASN A 6 8.318 2.189 7.145 1.00 0.00 H new ATOM 0 HA ASN A 6 6.703 0.098 6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.410 1.765 7.039 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.498 3.043 6.535 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.025 3.268 3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.579 3.366 4.015 1.00 0.00 H new ATOM 84 N TRP A 7 7.997 2.011 3.784 1.00 0.00 N ATOM 85 CA TRP A 7 8.277 2.017 2.319 1.00 0.00 C ATOM 86 C TRP A 7 8.899 0.677 1.945 1.00 0.00 C ATOM 87 O TRP A 7 8.380 -0.050 1.122 1.00 0.00 O ATOM 88 CB TRP A 7 9.252 3.160 1.985 1.00 0.00 C ATOM 89 CG TRP A 7 8.512 4.453 1.797 1.00 0.00 C ATOM 90 CD1 TRP A 7 7.774 5.087 2.744 1.00 0.00 C ATOM 91 CD2 TRP A 7 8.448 5.292 0.607 1.00 0.00 C ATOM 92 NE1 TRP A 7 7.259 6.251 2.203 1.00 0.00 N ATOM 93 CE2 TRP A 7 7.646 6.421 0.892 1.00 0.00 C ATOM 94 CE3 TRP A 7 9.000 5.180 -0.683 1.00 0.00 C ATOM 95 CZ2 TRP A 7 7.402 7.405 -0.065 1.00 0.00 C ATOM 96 CZ3 TRP A 7 8.756 6.170 -1.648 1.00 0.00 C ATOM 97 CH2 TRP A 7 7.958 7.280 -1.339 1.00 0.00 C ATOM 0 H TRP A 7 8.364 2.809 4.302 1.00 0.00 H new ATOM 0 HA TRP A 7 7.355 2.169 1.758 1.00 0.00 H new ATOM 0 HB2 TRP A 7 9.983 3.267 2.787 1.00 0.00 H new ATOM 0 HB3 TRP A 7 9.807 2.918 1.078 1.00 0.00 H new ATOM 0 HD1 TRP A 7 7.615 4.739 3.754 1.00 0.00 H new ATOM 0 HE1 TRP A 7 6.665 6.904 2.713 1.00 0.00 H new ATOM 0 HE3 TRP A 7 9.615 4.328 -0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.787 8.259 0.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 9.186 6.076 -2.634 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.774 8.038 -2.086 1.00 0.00 H new ATOM 108 N GLU A 8 9.994 0.328 2.553 1.00 0.00 N ATOM 109 CA GLU A 8 10.610 -0.968 2.237 1.00 0.00 C ATOM 110 C GLU A 8 9.586 -2.061 2.532 1.00 0.00 C ATOM 111 O GLU A 8 9.579 -3.100 1.907 1.00 0.00 O ATOM 112 CB GLU A 8 11.843 -1.156 3.117 1.00 0.00 C ATOM 113 CG GLU A 8 12.606 -2.393 2.660 1.00 0.00 C ATOM 114 CD GLU A 8 13.609 -2.810 3.737 1.00 0.00 C ATOM 115 OE1 GLU A 8 14.422 -1.982 4.114 1.00 0.00 O ATOM 116 OE2 GLU A 8 13.546 -3.950 4.166 1.00 0.00 O ATOM 0 H GLU A 8 10.482 0.888 3.252 1.00 0.00 H new ATOM 0 HA GLU A 8 10.910 -1.014 1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.484 -0.277 3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.546 -1.263 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.910 -3.208 2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.127 -2.186 1.725 1.00 0.00 H new ATOM 123 N THR A 9 8.712 -1.830 3.476 1.00 0.00 N ATOM 124 CA THR A 9 7.688 -2.862 3.789 1.00 0.00 C ATOM 125 C THR A 9 6.715 -2.961 2.627 1.00 0.00 C ATOM 126 O THR A 9 6.527 -4.017 2.062 1.00 0.00 O ATOM 127 CB THR A 9 6.928 -2.502 5.068 1.00 0.00 C ATOM 128 OG1 THR A 9 7.848 -2.059 6.057 1.00 0.00 O ATOM 129 CG2 THR A 9 6.173 -3.731 5.579 1.00 0.00 C ATOM 0 H THR A 9 8.665 -0.980 4.037 1.00 0.00 H new ATOM 0 HA THR A 9 8.185 -3.820 3.944 1.00 0.00 H new ATOM 0 HB THR A 9 6.215 -1.705 4.855 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.707 -1.849 5.634 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.632 -3.473 6.490 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.466 -4.065 4.820 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.882 -4.531 5.792 1.00 0.00 H new ATOM 137 N LEU A 10 6.107 -1.868 2.241 1.00 0.00 N ATOM 138 CA LEU A 10 5.166 -1.931 1.088 1.00 0.00 C ATOM 139 C LEU A 10 5.929 -2.563 -0.071 1.00 0.00 C ATOM 140 O LEU A 10 5.418 -3.386 -0.804 1.00 0.00 O ATOM 141 CB LEU A 10 4.708 -0.521 0.667 1.00 0.00 C ATOM 142 CG LEU A 10 4.179 0.293 1.862 1.00 0.00 C ATOM 143 CD1 LEU A 10 3.330 1.463 1.349 1.00 0.00 C ATOM 144 CD2 LEU A 10 3.316 -0.587 2.771 1.00 0.00 C ATOM 0 H LEU A 10 6.220 -0.949 2.668 1.00 0.00 H new ATOM 0 HA LEU A 10 4.282 -2.506 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.542 0.009 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.928 -0.604 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 10 5.030 0.668 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.955 2.039 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.941 2.105 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.489 1.077 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.951 0.005 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.469 -0.975 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.913 -1.418 3.146 1.00 0.00 H new ATOM 156 N ASN A 11 7.166 -2.181 -0.223 1.00 0.00 N ATOM 157 CA ASN A 11 7.997 -2.761 -1.314 1.00 0.00 C ATOM 158 C ASN A 11 8.274 -4.243 -1.021 1.00 0.00 C ATOM 159 O ASN A 11 7.917 -5.119 -1.786 1.00 0.00 O ATOM 160 CB ASN A 11 9.322 -1.996 -1.420 1.00 0.00 C ATOM 161 CG ASN A 11 9.951 -2.260 -2.795 1.00 0.00 C ATOM 162 OD1 ASN A 11 11.020 -2.831 -2.887 1.00 0.00 O ATOM 163 ND2 ASN A 11 9.325 -1.867 -3.873 1.00 0.00 N ATOM 0 H ASN A 11 7.638 -1.491 0.362 1.00 0.00 H new ATOM 0 HA ASN A 11 7.459 -2.676 -2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.151 -0.928 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.002 -2.312 -0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.734 -2.040 -4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.428 -1.388 -3.796 1.00 0.00 H new ATOM 170 N ASP A 12 8.927 -4.522 0.077 1.00 0.00 N ATOM 171 CA ASP A 12 9.255 -5.937 0.429 1.00 0.00 C ATOM 172 C ASP A 12 7.971 -6.766 0.534 1.00 0.00 C ATOM 173 O ASP A 12 8.006 -7.984 0.547 1.00 0.00 O ATOM 174 CB ASP A 12 9.999 -5.966 1.766 1.00 0.00 C ATOM 175 CG ASP A 12 10.229 -7.416 2.194 1.00 0.00 C ATOM 176 OD1 ASP A 12 9.271 -8.051 2.606 1.00 0.00 O ATOM 177 OD2 ASP A 12 11.359 -7.868 2.105 1.00 0.00 O ATOM 0 H ASP A 12 9.249 -3.826 0.750 1.00 0.00 H new ATOM 0 HA ASP A 12 9.886 -6.364 -0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.953 -5.448 1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.422 -5.439 2.526 1.00 0.00 H new ATOM 182 N ASN A 13 6.839 -6.125 0.586 1.00 0.00 N ATOM 183 CA ASN A 13 5.565 -6.873 0.673 1.00 0.00 C ATOM 184 C ASN A 13 5.265 -7.447 -0.717 1.00 0.00 C ATOM 185 O ASN A 13 5.044 -8.626 -0.883 1.00 0.00 O ATOM 186 CB ASN A 13 4.434 -5.888 1.055 1.00 0.00 C ATOM 187 CG ASN A 13 4.047 -5.991 2.540 1.00 0.00 C ATOM 188 OD1 ASN A 13 4.084 -7.056 3.125 1.00 0.00 O ATOM 189 ND2 ASN A 13 3.665 -4.901 3.171 1.00 0.00 N ATOM 0 H ASN A 13 6.745 -5.109 0.572 1.00 0.00 H new ATOM 0 HA ASN A 13 5.633 -7.667 1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.753 -4.869 0.835 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.557 -6.088 0.439 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.399 -4.948 4.154 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.635 -4.009 2.677 1.00 0.00 H new ATOM 196 N LEU A 14 5.241 -6.587 -1.697 1.00 0.00 N ATOM 197 CA LEU A 14 4.925 -7.006 -3.091 1.00 0.00 C ATOM 198 C LEU A 14 5.870 -8.101 -3.567 1.00 0.00 C ATOM 199 O LEU A 14 5.512 -8.918 -4.397 1.00 0.00 O ATOM 200 CB LEU A 14 5.064 -5.785 -4.002 1.00 0.00 C ATOM 201 CG LEU A 14 3.948 -4.772 -3.680 1.00 0.00 C ATOM 202 CD1 LEU A 14 4.416 -3.350 -4.003 1.00 0.00 C ATOM 203 CD2 LEU A 14 2.697 -5.099 -4.507 1.00 0.00 C ATOM 0 H LEU A 14 5.431 -5.591 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 14 3.910 -7.402 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.041 -5.323 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.003 -6.089 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 14 3.710 -4.836 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.619 -2.643 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.297 -3.112 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.666 -3.281 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.910 -4.381 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.938 -5.045 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.353 -6.104 -4.264 1.00 0.00 H new ATOM 215 N LYS A 15 7.067 -8.143 -3.066 1.00 0.00 N ATOM 216 CA LYS A 15 7.994 -9.204 -3.523 1.00 0.00 C ATOM 217 C LYS A 15 7.540 -10.539 -2.947 1.00 0.00 C ATOM 218 O LYS A 15 7.535 -11.543 -3.624 1.00 0.00 O ATOM 219 CB LYS A 15 9.418 -8.915 -3.038 1.00 0.00 C ATOM 220 CG LYS A 15 10.403 -9.913 -3.694 1.00 0.00 C ATOM 221 CD LYS A 15 11.559 -10.234 -2.730 1.00 0.00 C ATOM 222 CE LYS A 15 11.054 -11.042 -1.512 1.00 0.00 C ATOM 223 NZ LYS A 15 11.994 -12.169 -1.253 1.00 0.00 N ATOM 0 H LYS A 15 7.440 -7.498 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 15 7.988 -9.235 -4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.698 -7.892 -3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.467 -9.000 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.878 -10.830 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.798 -9.491 -4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.328 -10.801 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.022 -9.308 -2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.987 -10.398 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.051 -11.425 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.661 -12.718 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.036 -12.786 -2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.942 -11.791 -1.054 1.00 0.00 H new ATOM 237 N VAL A 16 7.161 -10.560 -1.703 1.00 0.00 N ATOM 238 CA VAL A 16 6.722 -11.847 -1.096 1.00 0.00 C ATOM 239 C VAL A 16 5.526 -12.396 -1.884 1.00 0.00 C ATOM 240 O VAL A 16 5.273 -13.580 -1.884 1.00 0.00 O ATOM 241 CB VAL A 16 6.328 -11.627 0.372 1.00 0.00 C ATOM 242 CG1 VAL A 16 5.718 -12.910 0.944 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.571 -11.268 1.198 1.00 0.00 C ATOM 0 H VAL A 16 7.135 -9.750 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 16 7.541 -12.565 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 16 5.602 -10.815 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.440 -12.748 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.831 -13.179 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.447 -13.718 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.284 -11.113 2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.295 -12.081 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.018 -10.355 0.805 1.00 0.00 H new ATOM 253 N ILE A 17 4.791 -11.548 -2.551 1.00 0.00 N ATOM 254 CA ILE A 17 3.617 -12.037 -3.338 1.00 0.00 C ATOM 255 C ILE A 17 4.106 -12.812 -4.566 1.00 0.00 C ATOM 256 O ILE A 17 4.009 -14.026 -4.637 1.00 0.00 O ATOM 257 CB ILE A 17 2.773 -10.842 -3.782 1.00 0.00 C ATOM 258 CG1 ILE A 17 2.591 -9.909 -2.591 1.00 0.00 C ATOM 259 CG2 ILE A 17 1.408 -11.328 -4.271 1.00 0.00 C ATOM 260 CD1 ILE A 17 1.637 -8.772 -2.959 1.00 0.00 C ATOM 0 H ILE A 17 4.950 -10.541 -2.587 1.00 0.00 H new ATOM 0 HA ILE A 17 3.012 -12.698 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 17 3.271 -10.315 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.197 -10.465 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.555 -9.502 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.809 -10.474 -4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.544 -12.007 -5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.897 -11.850 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.512 -8.110 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.048 -8.208 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.669 -9.186 -3.241 1.00 0.00 H new ATOM 272 N GLU A 18 4.637 -12.118 -5.534 1.00 0.00 N ATOM 273 CA GLU A 18 5.140 -12.801 -6.759 1.00 0.00 C ATOM 274 C GLU A 18 5.979 -14.008 -6.350 1.00 0.00 C ATOM 275 O GLU A 18 6.062 -14.991 -7.062 1.00 0.00 O ATOM 276 CB GLU A 18 5.988 -11.808 -7.567 1.00 0.00 C ATOM 277 CG GLU A 18 5.397 -10.398 -7.407 1.00 0.00 C ATOM 278 CD GLU A 18 5.771 -9.531 -8.614 1.00 0.00 C ATOM 279 OE1 GLU A 18 5.554 -9.979 -9.728 1.00 0.00 O ATOM 280 OE2 GLU A 18 6.268 -8.438 -8.403 1.00 0.00 O ATOM 0 H GLU A 18 4.745 -11.104 -5.529 1.00 0.00 H new ATOM 0 HA GLU A 18 4.307 -13.143 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.021 -11.825 -7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.001 -12.093 -8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.313 -10.458 -7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.770 -9.940 -6.491 1.00 0.00 H new ATOM 287 N LYS A 19 6.586 -13.942 -5.193 1.00 0.00 N ATOM 288 CA LYS A 19 7.417 -15.095 -4.702 1.00 0.00 C ATOM 289 C LYS A 19 6.631 -15.859 -3.622 1.00 0.00 C ATOM 290 O LYS A 19 7.116 -16.820 -3.061 1.00 0.00 O ATOM 291 CB LYS A 19 8.762 -14.578 -4.114 1.00 0.00 C ATOM 292 CG LYS A 19 9.923 -14.733 -5.131 1.00 0.00 C ATOM 293 CD LYS A 19 9.956 -13.530 -6.119 1.00 0.00 C ATOM 294 CE LYS A 19 11.090 -12.551 -5.756 1.00 0.00 C ATOM 295 NZ LYS A 19 12.352 -12.990 -6.416 1.00 0.00 N ATOM 0 H LYS A 19 6.545 -13.141 -4.563 1.00 0.00 H new ATOM 0 HA LYS A 19 7.637 -15.762 -5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.659 -13.529 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.998 -15.129 -3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.872 -14.799 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.804 -15.663 -5.687 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.096 -13.894 -7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.999 -13.009 -6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.831 -11.542 -6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.224 -12.517 -4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.119 -12.331 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.600 -13.946 -6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.219 -13.000 -7.447 1.00 0.00 H new ATOM 309 N ALA A 20 5.422 -15.453 -3.334 1.00 0.00 N ATOM 310 CA ALA A 20 4.630 -16.184 -2.303 1.00 0.00 C ATOM 311 C ALA A 20 4.530 -17.637 -2.731 1.00 0.00 C ATOM 312 O ALA A 20 4.758 -18.549 -1.962 1.00 0.00 O ATOM 313 CB ALA A 20 3.217 -15.596 -2.188 1.00 0.00 C ATOM 0 H ALA A 20 4.953 -14.655 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 20 5.121 -16.093 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.656 -16.143 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.282 -14.546 -1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.708 -15.681 -3.148 1.00 0.00 H new ATOM 319 N ASP A 21 4.193 -17.849 -3.965 1.00 0.00 N ATOM 320 CA ASP A 21 4.076 -19.242 -4.481 1.00 0.00 C ATOM 321 C ASP A 21 2.889 -19.953 -3.797 1.00 0.00 C ATOM 322 O ASP A 21 2.449 -20.994 -4.246 1.00 0.00 O ATOM 323 CB ASP A 21 5.406 -19.999 -4.219 1.00 0.00 C ATOM 324 CG ASP A 21 5.911 -20.669 -5.505 1.00 0.00 C ATOM 325 OD1 ASP A 21 5.171 -21.455 -6.071 1.00 0.00 O ATOM 326 OD2 ASP A 21 7.032 -20.387 -5.895 1.00 0.00 O ATOM 0 H ASP A 21 3.991 -17.117 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 21 3.890 -19.227 -5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.158 -19.304 -3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.255 -20.752 -3.446 1.00 0.00 H new ATOM 331 N ASN A 22 2.353 -19.398 -2.729 1.00 0.00 N ATOM 332 CA ASN A 22 1.180 -20.055 -2.051 1.00 0.00 C ATOM 333 C ASN A 22 0.244 -18.990 -1.474 1.00 0.00 C ATOM 334 O ASN A 22 0.672 -17.948 -1.027 1.00 0.00 O ATOM 335 CB ASN A 22 1.635 -20.984 -0.913 1.00 0.00 C ATOM 336 CG ASN A 22 2.978 -21.584 -1.264 1.00 0.00 C ATOM 337 OD1 ASN A 22 3.136 -22.788 -1.321 1.00 0.00 O ATOM 338 ND2 ASN A 22 3.957 -20.782 -1.500 1.00 0.00 N ATOM 0 H ASN A 22 2.672 -18.529 -2.301 1.00 0.00 H new ATOM 0 HA ASN A 22 0.658 -20.649 -2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.706 -20.426 0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.900 -21.774 -0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.876 -21.155 -1.738 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.814 -19.773 -1.449 1.00 0.00 H new ATOM 345 N ALA A 23 -1.029 -19.266 -1.476 1.00 0.00 N ATOM 346 CA ALA A 23 -2.027 -18.296 -0.932 1.00 0.00 C ATOM 347 C ALA A 23 -1.735 -17.975 0.533 1.00 0.00 C ATOM 348 O ALA A 23 -2.127 -16.941 1.031 1.00 0.00 O ATOM 349 CB ALA A 23 -3.431 -18.898 -1.053 1.00 0.00 C ATOM 0 H ALA A 23 -1.429 -20.133 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.963 -17.371 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.164 -18.195 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.651 -19.100 -2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.478 -19.828 -0.486 1.00 0.00 H new ATOM 355 N ALA A 24 -1.065 -18.846 1.234 1.00 0.00 N ATOM 356 CA ALA A 24 -0.778 -18.574 2.674 1.00 0.00 C ATOM 357 C ALA A 24 0.130 -17.348 2.805 1.00 0.00 C ATOM 358 O ALA A 24 -0.151 -16.432 3.552 1.00 0.00 O ATOM 359 CB ALA A 24 -0.077 -19.788 3.287 1.00 0.00 C ATOM 0 H ALA A 24 -0.704 -19.731 0.877 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.716 -18.383 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.134 -19.594 4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.723 -20.662 3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.857 -19.974 2.758 1.00 0.00 H new ATOM 365 N GLN A 25 1.222 -17.328 2.093 1.00 0.00 N ATOM 366 CA GLN A 25 2.157 -16.174 2.178 1.00 0.00 C ATOM 367 C GLN A 25 1.527 -14.926 1.549 1.00 0.00 C ATOM 368 O GLN A 25 1.951 -13.817 1.799 1.00 0.00 O ATOM 369 CB GLN A 25 3.452 -16.532 1.444 1.00 0.00 C ATOM 370 CG GLN A 25 3.801 -18.007 1.697 1.00 0.00 C ATOM 371 CD GLN A 25 5.289 -18.249 1.426 1.00 0.00 C ATOM 372 OE1 GLN A 25 6.047 -18.537 2.333 1.00 0.00 O ATOM 373 NE2 GLN A 25 5.740 -18.149 0.207 1.00 0.00 N ATOM 0 H GLN A 25 1.508 -18.068 1.451 1.00 0.00 H new ATOM 0 HA GLN A 25 2.371 -15.958 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.336 -16.354 0.375 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.265 -15.892 1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.563 -18.274 2.727 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.197 -18.647 1.054 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.105 -17.908 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.728 -18.312 0.014 1.00 0.00 H new ATOM 382 N VAL A 26 0.514 -15.090 0.742 1.00 0.00 N ATOM 383 CA VAL A 26 -0.128 -13.888 0.119 1.00 0.00 C ATOM 384 C VAL A 26 -0.891 -13.135 1.204 1.00 0.00 C ATOM 385 O VAL A 26 -0.739 -11.939 1.352 1.00 0.00 O ATOM 386 CB VAL A 26 -1.101 -14.284 -1.004 1.00 0.00 C ATOM 387 CG1 VAL A 26 -1.718 -13.026 -1.653 1.00 0.00 C ATOM 388 CG2 VAL A 26 -0.357 -15.073 -2.088 1.00 0.00 C ATOM 0 H VAL A 26 0.105 -15.989 0.487 1.00 0.00 H new ATOM 0 HA VAL A 26 0.650 -13.263 -0.319 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.890 -14.897 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.404 -13.325 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.261 -12.457 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.925 -12.407 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.054 -15.350 -2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.440 -14.457 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.073 -15.975 -1.651 1.00 0.00 H new ATOM 398 N LYS A 27 -1.700 -13.809 1.985 1.00 0.00 N ATOM 399 CA LYS A 27 -2.423 -13.075 3.053 1.00 0.00 C ATOM 400 C LYS A 27 -1.372 -12.390 3.900 1.00 0.00 C ATOM 401 O LYS A 27 -1.375 -11.194 4.103 1.00 0.00 O ATOM 402 CB LYS A 27 -3.163 -14.043 3.975 1.00 0.00 C ATOM 403 CG LYS A 27 -4.292 -14.804 3.234 1.00 0.00 C ATOM 404 CD LYS A 27 -4.096 -16.319 3.410 1.00 0.00 C ATOM 405 CE LYS A 27 -4.266 -16.709 4.884 1.00 0.00 C ATOM 406 NZ LYS A 27 -4.658 -18.145 4.972 1.00 0.00 N ATOM 0 H LYS A 27 -1.884 -14.811 1.928 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.135 -12.385 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.455 -14.760 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.588 -13.491 4.814 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.264 -14.505 3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.283 -14.547 2.175 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.818 -16.860 2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.104 -16.607 3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.336 -16.540 5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.026 -16.083 5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.774 -18.413 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.556 -18.291 4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.918 -18.734 4.540 1.00 0.00 H new ATOM 420 N ASP A 28 -0.464 -13.182 4.382 1.00 0.00 N ATOM 421 CA ASP A 28 0.631 -12.658 5.230 1.00 0.00 C ATOM 422 C ASP A 28 1.294 -11.482 4.524 1.00 0.00 C ATOM 423 O ASP A 28 1.649 -10.493 5.135 1.00 0.00 O ATOM 424 CB ASP A 28 1.674 -13.759 5.426 1.00 0.00 C ATOM 425 CG ASP A 28 1.010 -14.997 6.032 1.00 0.00 C ATOM 426 OD1 ASP A 28 -0.165 -14.921 6.344 1.00 0.00 O ATOM 427 OD2 ASP A 28 1.691 -15.999 6.174 1.00 0.00 O ATOM 0 H ASP A 28 -0.435 -14.189 4.221 1.00 0.00 H new ATOM 0 HA ASP A 28 0.231 -12.338 6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.134 -14.012 4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.471 -13.406 6.080 1.00 0.00 H new ATOM 432 N ALA A 29 1.472 -11.585 3.240 1.00 0.00 N ATOM 433 CA ALA A 29 2.120 -10.479 2.492 1.00 0.00 C ATOM 434 C ALA A 29 1.206 -9.253 2.505 1.00 0.00 C ATOM 435 O ALA A 29 1.549 -8.217 3.038 1.00 0.00 O ATOM 436 CB ALA A 29 2.366 -10.912 1.046 1.00 0.00 C ATOM 0 H ALA A 29 1.196 -12.389 2.676 1.00 0.00 H new ATOM 0 HA ALA A 29 3.071 -10.232 2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.842 -10.098 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.016 -11.787 1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.415 -11.160 0.574 1.00 0.00 H new ATOM 442 N LEU A 30 0.046 -9.360 1.917 1.00 0.00 N ATOM 443 CA LEU A 30 -0.884 -8.197 1.892 1.00 0.00 C ATOM 444 C LEU A 30 -1.293 -7.832 3.324 1.00 0.00 C ATOM 445 O LEU A 30 -1.650 -6.705 3.603 1.00 0.00 O ATOM 446 CB LEU A 30 -2.131 -8.549 1.075 1.00 0.00 C ATOM 447 CG LEU A 30 -1.768 -8.749 -0.406 1.00 0.00 C ATOM 448 CD1 LEU A 30 -3.033 -9.130 -1.179 1.00 0.00 C ATOM 449 CD2 LEU A 30 -1.165 -7.459 -1.001 1.00 0.00 C ATOM 0 H LEU A 30 -0.297 -10.201 1.454 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.381 -7.346 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.587 -9.457 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.871 -7.754 1.170 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.025 -9.542 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.787 -9.274 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.443 -10.054 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.771 -8.333 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.916 -7.624 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.890 -6.649 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.263 -7.192 -0.451 1.00 0.00 H new ATOM 461 N THR A 31 -1.235 -8.764 4.238 1.00 0.00 N ATOM 462 CA THR A 31 -1.610 -8.440 5.644 1.00 0.00 C ATOM 463 C THR A 31 -0.666 -7.363 6.155 1.00 0.00 C ATOM 464 O THR A 31 -1.054 -6.448 6.854 1.00 0.00 O ATOM 465 CB THR A 31 -1.445 -9.682 6.522 1.00 0.00 C ATOM 466 OG1 THR A 31 -2.379 -10.675 6.122 1.00 0.00 O ATOM 467 CG2 THR A 31 -1.689 -9.325 7.993 1.00 0.00 C ATOM 0 H THR A 31 -0.946 -9.728 4.073 1.00 0.00 H new ATOM 0 HA THR A 31 -2.645 -8.101 5.679 1.00 0.00 H new ATOM 0 HB THR A 31 -0.430 -10.062 6.408 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.462 -10.672 5.146 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.569 -10.217 8.609 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.971 -8.568 8.307 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.701 -8.937 8.110 1.00 0.00 H new ATOM 475 N LYS A 32 0.578 -7.474 5.804 1.00 0.00 N ATOM 476 CA LYS A 32 1.577 -6.476 6.252 1.00 0.00 C ATOM 477 C LYS A 32 1.371 -5.173 5.456 1.00 0.00 C ATOM 478 O LYS A 32 1.610 -4.090 5.953 1.00 0.00 O ATOM 479 CB LYS A 32 2.977 -7.063 6.006 1.00 0.00 C ATOM 480 CG LYS A 32 3.432 -7.877 7.231 1.00 0.00 C ATOM 481 CD LYS A 32 4.738 -8.626 6.911 1.00 0.00 C ATOM 482 CE LYS A 32 5.937 -7.680 7.035 1.00 0.00 C ATOM 483 NZ LYS A 32 7.199 -8.468 6.932 1.00 0.00 N ATOM 0 H LYS A 32 0.949 -8.222 5.219 1.00 0.00 H new ATOM 0 HA LYS A 32 1.466 -6.249 7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.963 -7.700 5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.687 -6.260 5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.583 -7.214 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.656 -8.588 7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.859 -9.468 7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.692 -9.036 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.901 -6.924 6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.901 -7.152 7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.015 -7.829 7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.231 -9.173 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.232 -8.952 6.012 1.00 0.00 H new ATOM 497 N MET A 33 0.910 -5.270 4.231 1.00 0.00 N ATOM 498 CA MET A 33 0.666 -4.036 3.419 1.00 0.00 C ATOM 499 C MET A 33 -0.464 -3.238 4.046 1.00 0.00 C ATOM 500 O MET A 33 -0.267 -2.194 4.636 1.00 0.00 O ATOM 501 CB MET A 33 0.210 -4.416 2.011 1.00 0.00 C ATOM 502 CG MET A 33 1.364 -5.018 1.224 1.00 0.00 C ATOM 503 SD MET A 33 0.950 -5.031 -0.537 1.00 0.00 S ATOM 504 CE MET A 33 1.790 -3.491 -0.983 1.00 0.00 C ATOM 0 H MET A 33 0.693 -6.148 3.760 1.00 0.00 H new ATOM 0 HA MET A 33 1.591 -3.460 3.384 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.611 -5.130 2.068 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.170 -3.534 1.495 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.273 -4.440 1.391 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.564 -6.032 1.569 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.660 -3.301 -2.049 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.363 -2.666 -0.413 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.853 -3.577 -0.756 1.00 0.00 H new ATOM 514 N ARG A 34 -1.659 -3.736 3.896 1.00 0.00 N ATOM 515 CA ARG A 34 -2.849 -3.035 4.450 1.00 0.00 C ATOM 516 C ARG A 34 -2.532 -2.604 5.885 1.00 0.00 C ATOM 517 O ARG A 34 -3.075 -1.647 6.398 1.00 0.00 O ATOM 518 CB ARG A 34 -4.065 -3.999 4.433 1.00 0.00 C ATOM 519 CG ARG A 34 -5.385 -3.241 4.081 1.00 0.00 C ATOM 520 CD ARG A 34 -6.607 -3.820 4.848 1.00 0.00 C ATOM 521 NE ARG A 34 -7.691 -4.212 3.904 1.00 0.00 N ATOM 522 CZ ARG A 34 -8.669 -4.967 4.357 1.00 0.00 C ATOM 523 NH1 ARG A 34 -8.627 -5.412 5.586 1.00 0.00 N ATOM 524 NH2 ARG A 34 -9.687 -5.274 3.608 1.00 0.00 N ATOM 0 H ARG A 34 -1.864 -4.608 3.408 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.090 -2.157 3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.893 -4.792 3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.166 -4.477 5.407 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.272 -2.184 4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.566 -3.305 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.297 -4.687 5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.984 -3.079 5.553 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.675 -3.903 2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.839 -5.173 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.382 -5.998 5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.738 -4.928 2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.434 -5.861 3.979 1.00 0.00 H new ATOM 538 N ALA A 35 -1.645 -3.312 6.524 1.00 0.00 N ATOM 539 CA ALA A 35 -1.275 -2.953 7.920 1.00 0.00 C ATOM 540 C ALA A 35 -0.412 -1.692 7.907 1.00 0.00 C ATOM 541 O ALA A 35 -0.791 -0.666 8.436 1.00 0.00 O ATOM 542 CB ALA A 35 -0.490 -4.097 8.556 1.00 0.00 C ATOM 0 H ALA A 35 -1.160 -4.123 6.140 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.181 -2.772 8.498 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.221 -3.830 9.578 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.104 -4.998 8.566 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.416 -4.281 7.979 1.00 0.00 H new ATOM 548 N ALA A 36 0.751 -1.754 7.308 1.00 0.00 N ATOM 549 CA ALA A 36 1.619 -0.546 7.276 1.00 0.00 C ATOM 550 C ALA A 36 0.909 0.570 6.510 1.00 0.00 C ATOM 551 O ALA A 36 1.123 1.740 6.761 1.00 0.00 O ATOM 552 CB ALA A 36 2.942 -0.888 6.592 1.00 0.00 C ATOM 0 H ALA A 36 1.130 -2.580 6.846 1.00 0.00 H new ATOM 0 HA ALA A 36 1.819 -0.211 8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.579 -0.004 6.568 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.444 -1.681 7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.749 -1.224 5.573 1.00 0.00 H new ATOM 558 N ALA A 37 0.055 0.222 5.588 1.00 0.00 N ATOM 559 CA ALA A 37 -0.675 1.271 4.827 1.00 0.00 C ATOM 560 C ALA A 37 -1.495 2.105 5.815 1.00 0.00 C ATOM 561 O ALA A 37 -1.495 3.321 5.771 1.00 0.00 O ATOM 562 CB ALA A 37 -1.610 0.612 3.812 1.00 0.00 C ATOM 0 H ALA A 37 -0.168 -0.739 5.330 1.00 0.00 H new ATOM 0 HA ALA A 37 0.032 1.908 4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.144 1.382 3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.026 0.004 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.327 -0.021 4.335 1.00 0.00 H new ATOM 568 N LEU A 38 -2.180 1.457 6.718 1.00 0.00 N ATOM 569 CA LEU A 38 -2.986 2.207 7.719 1.00 0.00 C ATOM 570 C LEU A 38 -2.036 2.999 8.616 1.00 0.00 C ATOM 571 O LEU A 38 -2.407 4.002 9.196 1.00 0.00 O ATOM 572 CB LEU A 38 -3.791 1.222 8.573 1.00 0.00 C ATOM 573 CG LEU A 38 -4.798 0.455 7.691 1.00 0.00 C ATOM 574 CD1 LEU A 38 -5.130 -0.893 8.337 1.00 0.00 C ATOM 575 CD2 LEU A 38 -6.091 1.266 7.538 1.00 0.00 C ATOM 0 H LEU A 38 -2.215 0.441 6.805 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.673 2.884 7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.117 0.520 9.064 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.320 1.759 9.360 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.351 0.295 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.841 -1.431 7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.218 -1.482 8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.567 -0.727 9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.794 0.715 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.533 1.435 8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.866 2.225 7.071 1.00 0.00 H new ATOM 587 N ASP A 39 -0.808 2.563 8.727 1.00 0.00 N ATOM 588 CA ASP A 39 0.168 3.298 9.576 1.00 0.00 C ATOM 589 C ASP A 39 0.751 4.451 8.761 1.00 0.00 C ATOM 590 O ASP A 39 0.817 5.576 9.214 1.00 0.00 O ATOM 591 CB ASP A 39 1.294 2.354 9.999 1.00 0.00 C ATOM 592 CG ASP A 39 2.178 3.043 11.038 1.00 0.00 C ATOM 593 OD1 ASP A 39 1.776 3.092 12.189 1.00 0.00 O ATOM 594 OD2 ASP A 39 3.240 3.514 10.666 1.00 0.00 O ATOM 0 H ASP A 39 -0.442 1.730 8.266 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.329 3.682 10.467 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.876 1.436 10.413 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.889 2.070 9.131 1.00 0.00 H new ATOM 599 N ALA A 40 1.170 4.178 7.556 1.00 0.00 N ATOM 600 CA ALA A 40 1.745 5.258 6.706 1.00 0.00 C ATOM 601 C ALA A 40 0.699 6.351 6.495 1.00 0.00 C ATOM 602 O ALA A 40 0.999 7.414 5.997 1.00 0.00 O ATOM 603 CB ALA A 40 2.176 4.686 5.350 1.00 0.00 C ATOM 0 H ALA A 40 1.139 3.255 7.124 1.00 0.00 H new ATOM 0 HA ALA A 40 2.617 5.680 7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.595 5.483 4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.929 3.913 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.311 4.255 4.845 1.00 0.00 H new ATOM 609 N GLN A 41 -0.525 6.118 6.879 1.00 0.00 N ATOM 610 CA GLN A 41 -1.557 7.175 6.699 1.00 0.00 C ATOM 611 C GLN A 41 -1.010 8.476 7.290 1.00 0.00 C ATOM 612 O GLN A 41 -0.894 9.482 6.619 1.00 0.00 O ATOM 613 CB GLN A 41 -2.837 6.765 7.434 1.00 0.00 C ATOM 614 CG GLN A 41 -3.885 7.883 7.323 1.00 0.00 C ATOM 615 CD GLN A 41 -3.621 8.958 8.379 1.00 0.00 C ATOM 616 OE1 GLN A 41 -3.965 8.790 9.533 1.00 0.00 O ATOM 617 NE2 GLN A 41 -3.029 10.066 8.030 1.00 0.00 N ATOM 0 H GLN A 41 -0.853 5.251 7.305 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.788 7.312 5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.231 5.842 7.009 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.616 6.564 8.482 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.853 8.325 6.327 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.885 7.469 7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.740 10.207 7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.854 10.792 8.725 1.00 0.00 H new ATOM 626 N LYS A 42 -0.654 8.445 8.543 1.00 0.00 N ATOM 627 CA LYS A 42 -0.086 9.658 9.192 1.00 0.00 C ATOM 628 C LYS A 42 1.351 9.863 8.700 1.00 0.00 C ATOM 629 O LYS A 42 2.196 10.342 9.431 1.00 0.00 O ATOM 630 CB LYS A 42 -0.056 9.469 10.713 1.00 0.00 C ATOM 631 CG LYS A 42 -1.490 9.406 11.299 1.00 0.00 C ATOM 632 CD LYS A 42 -1.944 7.945 11.465 1.00 0.00 C ATOM 633 CE LYS A 42 -1.394 7.370 12.779 1.00 0.00 C ATOM 634 NZ LYS A 42 -2.239 7.841 13.914 1.00 0.00 N ATOM 0 H LYS A 42 -0.732 7.628 9.148 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.703 10.520 8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.480 8.552 10.958 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.492 10.291 11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.517 9.913 12.264 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.181 9.935 10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.033 7.891 11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.594 7.349 10.623 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.391 6.281 12.740 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.361 7.686 12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.002 7.301 14.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.062 8.852 14.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.243 7.699 13.682 1.00 0.00 H new ATOM 648 N ALA A 43 1.646 9.496 7.482 1.00 0.00 N ATOM 649 CA ALA A 43 3.043 9.665 6.982 1.00 0.00 C ATOM 650 C ALA A 43 3.295 11.126 6.622 1.00 0.00 C ATOM 651 O ALA A 43 2.472 11.783 6.016 1.00 0.00 O ATOM 652 CB ALA A 43 3.264 8.800 5.738 1.00 0.00 C ATOM 0 H ALA A 43 0.988 9.090 6.816 1.00 0.00 H new ATOM 0 HA ALA A 43 3.733 9.357 7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.286 8.930 5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.098 7.752 5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.566 9.101 4.957 1.00 0.00 H new ATOM 658 N THR A 44 4.443 11.631 6.977 1.00 0.00 N ATOM 659 CA THR A 44 4.776 13.044 6.645 1.00 0.00 C ATOM 660 C THR A 44 6.304 13.240 6.627 1.00 0.00 C ATOM 661 O THR A 44 6.805 14.258 7.060 1.00 0.00 O ATOM 662 CB THR A 44 4.156 13.963 7.697 1.00 0.00 C ATOM 663 OG1 THR A 44 4.358 15.317 7.320 1.00 0.00 O ATOM 664 CG2 THR A 44 4.814 13.706 9.053 1.00 0.00 C ATOM 0 H THR A 44 5.168 11.124 7.485 1.00 0.00 H new ATOM 0 HA THR A 44 4.379 13.285 5.659 1.00 0.00 H new ATOM 0 HB THR A 44 3.087 13.762 7.770 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.960 15.907 7.993 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.371 14.362 9.802 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.657 12.667 9.342 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.883 13.906 8.982 1.00 0.00 H new ATOM 672 N PRO A 45 7.039 12.292 6.103 1.00 0.00 N ATOM 673 CA PRO A 45 8.523 12.388 6.012 1.00 0.00 C ATOM 674 C PRO A 45 9.034 13.760 5.504 1.00 0.00 C ATOM 675 O PRO A 45 10.070 14.218 5.942 1.00 0.00 O ATOM 676 CB PRO A 45 8.940 11.251 5.042 1.00 0.00 C ATOM 677 CG PRO A 45 7.678 10.512 4.658 1.00 0.00 C ATOM 678 CD PRO A 45 6.542 11.023 5.555 1.00 0.00 C ATOM 0 HA PRO A 45 8.965 12.290 7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.432 11.659 4.159 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.651 10.577 5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.441 10.682 3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.811 9.438 4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.624 11.170 4.986 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.314 10.312 6.349 1.00 0.00 H new ATOM 686 N PRO A 46 8.350 14.413 4.581 1.00 0.00 N ATOM 687 CA PRO A 46 8.793 15.716 4.036 1.00 0.00 C ATOM 688 C PRO A 46 8.132 16.878 4.770 1.00 0.00 C ATOM 689 O PRO A 46 8.524 18.015 4.624 1.00 0.00 O ATOM 690 CB PRO A 46 8.328 15.646 2.571 1.00 0.00 C ATOM 691 CG PRO A 46 7.173 14.667 2.549 1.00 0.00 C ATOM 692 CD PRO A 46 7.084 14.023 3.945 1.00 0.00 C ATOM 0 HA PRO A 46 9.864 15.886 4.142 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.016 16.627 2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.136 15.312 1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.242 15.178 2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.331 13.906 1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.224 14.392 4.503 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.983 12.940 3.882 1.00 0.00 H new ATOM 700 N LYS A 47 7.122 16.572 5.543 1.00 0.00 N ATOM 701 CA LYS A 47 6.371 17.606 6.317 1.00 0.00 C ATOM 702 C LYS A 47 5.333 18.248 5.402 1.00 0.00 C ATOM 703 O LYS A 47 5.658 19.034 4.534 1.00 0.00 O ATOM 704 CB LYS A 47 7.296 18.692 6.900 1.00 0.00 C ATOM 705 CG LYS A 47 8.526 18.058 7.614 1.00 0.00 C ATOM 706 CD LYS A 47 9.801 18.866 7.316 1.00 0.00 C ATOM 707 CE LYS A 47 9.720 20.232 8.002 1.00 0.00 C ATOM 708 NZ LYS A 47 10.730 21.149 7.400 1.00 0.00 N ATOM 0 H LYS A 47 6.777 15.621 5.673 1.00 0.00 H new ATOM 0 HA LYS A 47 5.889 17.112 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.636 19.352 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.739 19.307 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.352 18.026 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.656 17.028 7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.678 18.323 7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.918 18.995 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.720 20.650 7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.901 20.125 9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.676 22.078 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.682 20.751 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.537 21.259 6.384 1.00 0.00 H new ATOM 722 N LEU A 48 4.085 17.918 5.586 1.00 0.00 N ATOM 723 CA LEU A 48 3.027 18.506 4.722 1.00 0.00 C ATOM 724 C LEU A 48 2.707 19.908 5.217 1.00 0.00 C ATOM 725 O LEU A 48 1.840 20.581 4.700 1.00 0.00 O ATOM 726 CB LEU A 48 1.776 17.623 4.791 1.00 0.00 C ATOM 727 CG LEU A 48 1.976 16.364 3.899 1.00 0.00 C ATOM 728 CD1 LEU A 48 1.564 15.095 4.658 1.00 0.00 C ATOM 729 CD2 LEU A 48 1.126 16.479 2.624 1.00 0.00 C ATOM 0 H LEU A 48 3.753 17.267 6.297 1.00 0.00 H new ATOM 0 HA LEU A 48 3.369 18.560 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.586 17.324 5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.904 18.184 4.456 1.00 0.00 H new ATOM 0 HG LEU A 48 3.032 16.300 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.711 14.225 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.175 14.993 5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.514 15.165 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.274 15.593 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.073 16.561 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.427 17.365 2.065 1.00 0.00 H new ATOM 741 N GLU A 49 3.435 20.363 6.196 1.00 0.00 N ATOM 742 CA GLU A 49 3.222 21.738 6.718 1.00 0.00 C ATOM 743 C GLU A 49 4.274 22.633 6.072 1.00 0.00 C ATOM 744 O GLU A 49 4.578 23.710 6.546 1.00 0.00 O ATOM 745 CB GLU A 49 3.383 21.732 8.247 1.00 0.00 C ATOM 746 CG GLU A 49 2.592 22.891 8.863 1.00 0.00 C ATOM 747 CD GLU A 49 2.777 22.878 10.382 1.00 0.00 C ATOM 748 OE1 GLU A 49 3.689 22.211 10.841 1.00 0.00 O ATOM 749 OE2 GLU A 49 2.001 23.534 11.058 1.00 0.00 O ATOM 0 H GLU A 49 4.175 19.836 6.660 1.00 0.00 H new ATOM 0 HA GLU A 49 2.222 22.103 6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.031 20.784 8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.437 21.820 8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.935 23.840 8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.535 22.799 8.613 1.00 0.00 H new ATOM 756 N ASP A 50 4.842 22.172 4.986 1.00 0.00 N ATOM 757 CA ASP A 50 5.898 22.968 4.289 1.00 0.00 C ATOM 758 C ASP A 50 5.826 22.727 2.776 1.00 0.00 C ATOM 759 O ASP A 50 6.837 22.581 2.117 1.00 0.00 O ATOM 760 CB ASP A 50 7.266 22.523 4.816 1.00 0.00 C ATOM 761 CG ASP A 50 8.310 23.613 4.553 1.00 0.00 C ATOM 762 OD1 ASP A 50 8.472 24.470 5.407 1.00 0.00 O ATOM 763 OD2 ASP A 50 8.932 23.571 3.504 1.00 0.00 O ATOM 0 H ASP A 50 4.619 21.277 4.551 1.00 0.00 H new ATOM 0 HA ASP A 50 5.747 24.030 4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.204 22.318 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.567 21.595 4.330 1.00 0.00 H new ATOM 768 N LYS A 51 4.645 22.699 2.222 1.00 0.00 N ATOM 769 CA LYS A 51 4.504 22.479 0.753 1.00 0.00 C ATOM 770 C LYS A 51 3.037 22.713 0.360 1.00 0.00 C ATOM 771 O LYS A 51 2.386 23.583 0.902 1.00 0.00 O ATOM 772 CB LYS A 51 4.965 21.050 0.402 1.00 0.00 C ATOM 773 CG LYS A 51 4.080 20.014 1.114 1.00 0.00 C ATOM 774 CD LYS A 51 4.277 18.619 0.496 1.00 0.00 C ATOM 775 CE LYS A 51 5.574 17.990 1.013 1.00 0.00 C ATOM 776 NZ LYS A 51 5.467 17.768 2.482 1.00 0.00 N ATOM 0 H LYS A 51 3.766 22.820 2.726 1.00 0.00 H new ATOM 0 HA LYS A 51 5.129 23.177 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.917 20.900 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.005 20.913 0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.326 19.986 2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.033 20.307 1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.430 17.980 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.310 18.696 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.760 17.044 0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.420 18.642 0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.231 17.136 2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.547 18.679 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.548 17.334 2.701 1.00 0.00 H new ATOM 790 N SER A 52 2.501 21.955 -0.561 1.00 0.00 N ATOM 791 CA SER A 52 1.082 22.159 -0.948 1.00 0.00 C ATOM 792 C SER A 52 0.164 21.556 0.133 1.00 0.00 C ATOM 793 O SER A 52 0.180 20.361 0.346 1.00 0.00 O ATOM 794 CB SER A 52 0.818 21.457 -2.278 1.00 0.00 C ATOM 795 OG SER A 52 -0.504 21.753 -2.708 1.00 0.00 O ATOM 0 H SER A 52 2.986 21.208 -1.058 1.00 0.00 H new ATOM 0 HA SER A 52 0.880 23.226 -1.046 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.539 21.786 -3.026 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.944 20.380 -2.166 1.00 0.00 H new ATOM 0 HG SER A 52 -1.131 21.120 -2.299 1.00 0.00 H new ATOM 801 N PRO A 53 -0.634 22.355 0.815 1.00 0.00 N ATOM 802 CA PRO A 53 -1.552 21.850 1.877 1.00 0.00 C ATOM 803 C PRO A 53 -2.879 21.374 1.289 1.00 0.00 C ATOM 804 O PRO A 53 -3.683 20.754 1.955 1.00 0.00 O ATOM 805 CB PRO A 53 -1.779 23.094 2.729 1.00 0.00 C ATOM 806 CG PRO A 53 -1.824 24.190 1.721 1.00 0.00 C ATOM 807 CD PRO A 53 -0.772 23.823 0.667 1.00 0.00 C ATOM 0 HA PRO A 53 -1.145 20.998 2.421 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.707 23.030 3.297 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.974 23.242 3.449 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.815 24.271 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -1.601 25.154 2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.097 24.097 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.173 24.335 0.847 1.00 0.00 H new ATOM 815 N ASP A 54 -3.113 21.697 0.050 1.00 0.00 N ATOM 816 CA ASP A 54 -4.386 21.315 -0.613 1.00 0.00 C ATOM 817 C ASP A 54 -5.535 22.060 0.065 1.00 0.00 C ATOM 818 O ASP A 54 -5.503 23.270 0.185 1.00 0.00 O ATOM 819 CB ASP A 54 -4.602 19.799 -0.530 1.00 0.00 C ATOM 820 CG ASP A 54 -3.281 19.077 -0.801 1.00 0.00 C ATOM 821 OD1 ASP A 54 -2.369 19.719 -1.297 1.00 0.00 O ATOM 822 OD2 ASP A 54 -3.204 17.895 -0.513 1.00 0.00 O ATOM 0 H ASP A 54 -2.465 22.218 -0.540 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.346 21.587 -1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.980 19.529 0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.354 19.488 -1.256 1.00 0.00 H new ATOM 827 N SER A 55 -6.552 21.375 0.510 1.00 0.00 N ATOM 828 CA SER A 55 -7.671 22.102 1.168 1.00 0.00 C ATOM 829 C SER A 55 -8.666 21.141 1.838 1.00 0.00 C ATOM 830 O SER A 55 -9.192 21.458 2.882 1.00 0.00 O ATOM 831 CB SER A 55 -8.401 22.963 0.122 1.00 0.00 C ATOM 832 OG SER A 55 -9.634 22.346 -0.231 1.00 0.00 O ATOM 0 H SER A 55 -6.656 20.362 0.448 1.00 0.00 H new ATOM 0 HA SER A 55 -7.250 22.734 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.584 23.961 0.521 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.777 23.084 -0.763 1.00 0.00 H new ATOM 0 HG SER A 55 -10.097 22.897 -0.896 1.00 0.00 H new ATOM 838 N PRO A 56 -8.946 19.997 1.246 1.00 0.00 N ATOM 839 CA PRO A 56 -9.917 19.001 1.818 1.00 0.00 C ATOM 840 C PRO A 56 -9.600 18.594 3.259 1.00 0.00 C ATOM 841 O PRO A 56 -9.569 17.423 3.572 1.00 0.00 O ATOM 842 CB PRO A 56 -9.775 17.795 0.878 1.00 0.00 C ATOM 843 CG PRO A 56 -9.368 18.402 -0.418 1.00 0.00 C ATOM 844 CD PRO A 56 -8.397 19.515 -0.035 1.00 0.00 C ATOM 0 HA PRO A 56 -10.924 19.415 1.872 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.028 17.090 1.242 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.713 17.247 0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.892 17.667 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.229 18.796 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.378 19.143 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.369 20.304 -0.786 1.00 0.00 H new ATOM 852 N GLU A 57 -9.357 19.541 4.134 1.00 0.00 N ATOM 853 CA GLU A 57 -9.025 19.188 5.545 1.00 0.00 C ATOM 854 C GLU A 57 -8.002 18.060 5.506 1.00 0.00 C ATOM 855 O GLU A 57 -7.959 17.211 6.371 1.00 0.00 O ATOM 856 CB GLU A 57 -10.285 18.726 6.290 1.00 0.00 C ATOM 857 CG GLU A 57 -11.196 19.927 6.592 1.00 0.00 C ATOM 858 CD GLU A 57 -12.011 20.286 5.346 1.00 0.00 C ATOM 859 OE1 GLU A 57 -11.482 20.980 4.496 1.00 0.00 O ATOM 860 OE2 GLU A 57 -13.152 19.858 5.266 1.00 0.00 O ATOM 0 H GLU A 57 -9.375 20.540 3.930 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.624 20.056 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.824 17.994 5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.005 18.230 7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.865 19.689 7.419 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.595 20.782 6.904 1.00 0.00 H new ATOM 867 N MET A 58 -7.208 18.046 4.463 1.00 0.00 N ATOM 868 CA MET A 58 -6.189 16.991 4.276 1.00 0.00 C ATOM 869 C MET A 58 -6.888 15.643 4.114 1.00 0.00 C ATOM 870 O MET A 58 -6.268 14.649 3.795 1.00 0.00 O ATOM 871 CB MET A 58 -5.234 16.977 5.468 1.00 0.00 C ATOM 872 CG MET A 58 -4.587 18.368 5.647 1.00 0.00 C ATOM 873 SD MET A 58 -4.348 18.708 7.413 1.00 0.00 S ATOM 874 CE MET A 58 -5.839 19.700 7.678 1.00 0.00 C ATOM 0 H MET A 58 -7.232 18.744 3.720 1.00 0.00 H new ATOM 0 HA MET A 58 -5.604 17.191 3.378 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.774 16.699 6.373 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.460 16.225 5.315 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.630 18.404 5.127 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.221 19.135 5.202 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.707 20.327 8.560 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.015 20.332 6.807 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.694 19.040 7.826 1.00 0.00 H new ATOM 884 N LYS A 59 -8.184 15.616 4.295 1.00 0.00 N ATOM 885 CA LYS A 59 -8.950 14.350 4.134 1.00 0.00 C ATOM 886 C LYS A 59 -8.546 13.693 2.826 1.00 0.00 C ATOM 887 O LYS A 59 -8.429 12.494 2.719 1.00 0.00 O ATOM 888 CB LYS A 59 -10.443 14.679 4.051 1.00 0.00 C ATOM 889 CG LYS A 59 -11.298 13.380 4.072 1.00 0.00 C ATOM 890 CD LYS A 59 -11.733 12.992 2.648 1.00 0.00 C ATOM 891 CE LYS A 59 -12.271 11.557 2.651 1.00 0.00 C ATOM 892 NZ LYS A 59 -13.022 11.309 3.915 1.00 0.00 N ATOM 0 H LYS A 59 -8.747 16.427 4.550 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.747 13.689 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.726 15.319 4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.646 15.239 3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.723 12.567 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.177 13.528 4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.501 13.679 2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.889 13.074 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.923 11.400 1.792 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.448 10.849 2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.645 10.485 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.350 11.123 4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.595 12.145 4.148 1.00 0.00 H new ATOM 906 N ASP A 60 -8.354 14.478 1.822 1.00 0.00 N ATOM 907 CA ASP A 60 -7.974 13.913 0.513 1.00 0.00 C ATOM 908 C ASP A 60 -6.631 13.184 0.658 1.00 0.00 C ATOM 909 O ASP A 60 -6.297 12.318 -0.126 1.00 0.00 O ATOM 910 CB ASP A 60 -7.896 15.064 -0.493 1.00 0.00 C ATOM 911 CG ASP A 60 -7.137 14.623 -1.748 1.00 0.00 C ATOM 912 OD1 ASP A 60 -5.965 14.302 -1.627 1.00 0.00 O ATOM 913 OD2 ASP A 60 -7.740 14.615 -2.809 1.00 0.00 O ATOM 0 H ASP A 60 -8.444 15.494 1.849 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.707 13.189 0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.901 15.389 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.396 15.919 -0.039 1.00 0.00 H new ATOM 918 N PHE A 61 -5.870 13.516 1.668 1.00 0.00 N ATOM 919 CA PHE A 61 -4.563 12.834 1.882 1.00 0.00 C ATOM 920 C PHE A 61 -4.803 11.420 2.445 1.00 0.00 C ATOM 921 O PHE A 61 -4.339 10.437 1.900 1.00 0.00 O ATOM 922 CB PHE A 61 -3.721 13.672 2.866 1.00 0.00 C ATOM 923 CG PHE A 61 -2.244 13.539 2.548 1.00 0.00 C ATOM 924 CD1 PHE A 61 -1.728 14.122 1.385 1.00 0.00 C ATOM 925 CD2 PHE A 61 -1.398 12.836 3.413 1.00 0.00 C ATOM 926 CE1 PHE A 61 -0.365 14.005 1.087 1.00 0.00 C ATOM 927 CE2 PHE A 61 -0.033 12.718 3.115 1.00 0.00 C ATOM 928 CZ PHE A 61 0.483 13.303 1.952 1.00 0.00 C ATOM 0 H PHE A 61 -6.100 14.233 2.356 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.027 12.742 0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.019 14.719 2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.910 13.343 3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.382 14.663 0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.796 12.385 4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.032 14.456 0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.620 12.176 3.782 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.534 13.213 1.722 1.00 0.00 H new ATOM 938 N ARG A 62 -5.531 11.310 3.532 1.00 0.00 N ATOM 939 CA ARG A 62 -5.799 9.961 4.120 1.00 0.00 C ATOM 940 C ARG A 62 -6.652 9.152 3.133 1.00 0.00 C ATOM 941 O ARG A 62 -6.520 7.949 3.018 1.00 0.00 O ATOM 942 CB ARG A 62 -6.523 10.099 5.486 1.00 0.00 C ATOM 943 CG ARG A 62 -7.192 11.480 5.611 1.00 0.00 C ATOM 944 CD ARG A 62 -6.229 12.536 6.217 1.00 0.00 C ATOM 945 NE ARG A 62 -4.795 12.123 6.073 1.00 0.00 N ATOM 946 CZ ARG A 62 -3.881 12.707 6.801 1.00 0.00 C ATOM 947 NH1 ARG A 62 -4.218 13.650 7.639 1.00 0.00 N ATOM 948 NH2 ARG A 62 -2.633 12.344 6.694 1.00 0.00 N ATOM 0 H ARG A 62 -5.949 12.093 4.034 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.856 9.442 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.274 9.315 5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.808 9.961 6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.524 11.813 4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.081 11.398 6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.383 13.495 5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.463 12.679 7.272 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.535 11.391 5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.195 13.931 7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.504 14.106 8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.371 11.604 6.042 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.919 12.800 7.262 1.00 0.00 H new ATOM 962 N HIS A 63 -7.519 9.811 2.417 1.00 0.00 N ATOM 963 CA HIS A 63 -8.377 9.090 1.430 1.00 0.00 C ATOM 964 C HIS A 63 -7.465 8.376 0.438 1.00 0.00 C ATOM 965 O HIS A 63 -7.719 7.265 0.047 1.00 0.00 O ATOM 966 CB HIS A 63 -9.289 10.100 0.694 1.00 0.00 C ATOM 967 CG HIS A 63 -10.623 9.466 0.402 1.00 0.00 C ATOM 968 ND1 HIS A 63 -11.262 8.663 1.330 1.00 0.00 N ATOM 969 CD2 HIS A 63 -11.441 9.490 -0.701 1.00 0.00 C ATOM 970 CE1 HIS A 63 -12.405 8.235 0.778 1.00 0.00 C ATOM 971 NE2 HIS A 63 -12.569 8.711 -0.461 1.00 0.00 N ATOM 0 H HIS A 63 -7.672 10.818 2.471 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.012 8.363 1.937 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.426 10.992 1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.817 10.420 -0.235 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -11.240 10.030 -1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -13.109 7.584 1.274 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -13.351 8.540 -1.093 1.00 0.00 H new ATOM 979 N GLY A 64 -6.389 8.983 0.045 1.00 0.00 N ATOM 980 CA GLY A 64 -5.490 8.286 -0.907 1.00 0.00 C ATOM 981 C GLY A 64 -4.918 7.055 -0.212 1.00 0.00 C ATOM 982 O GLY A 64 -4.678 6.037 -0.830 1.00 0.00 O ATOM 0 H GLY A 64 -6.095 9.916 0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.038 7.996 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.686 8.950 -1.226 1.00 0.00 H new ATOM 986 N PHE A 65 -4.727 7.127 1.079 1.00 0.00 N ATOM 987 CA PHE A 65 -4.205 5.942 1.818 1.00 0.00 C ATOM 988 C PHE A 65 -5.379 5.011 2.114 1.00 0.00 C ATOM 989 O PHE A 65 -5.273 3.806 2.012 1.00 0.00 O ATOM 990 CB PHE A 65 -3.556 6.383 3.130 1.00 0.00 C ATOM 991 CG PHE A 65 -2.207 6.996 2.836 1.00 0.00 C ATOM 992 CD1 PHE A 65 -1.117 6.178 2.515 1.00 0.00 C ATOM 993 CD2 PHE A 65 -2.049 8.382 2.882 1.00 0.00 C ATOM 994 CE1 PHE A 65 0.131 6.752 2.241 1.00 0.00 C ATOM 995 CE2 PHE A 65 -0.805 8.955 2.609 1.00 0.00 C ATOM 996 CZ PHE A 65 0.284 8.143 2.287 1.00 0.00 C ATOM 0 H PHE A 65 -4.909 7.952 1.651 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.454 5.430 1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.193 7.105 3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.443 5.530 3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.238 5.105 2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.890 9.013 3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.974 6.123 1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.685 10.028 2.647 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.245 8.588 2.073 1.00 0.00 H new ATOM 1006 N ASP A 66 -6.512 5.565 2.456 1.00 0.00 N ATOM 1007 CA ASP A 66 -7.701 4.715 2.728 1.00 0.00 C ATOM 1008 C ASP A 66 -8.169 4.131 1.396 1.00 0.00 C ATOM 1009 O ASP A 66 -8.413 2.946 1.270 1.00 0.00 O ATOM 1010 CB ASP A 66 -8.814 5.570 3.347 1.00 0.00 C ATOM 1011 CG ASP A 66 -9.822 4.668 4.063 1.00 0.00 C ATOM 1012 OD1 ASP A 66 -10.623 4.051 3.382 1.00 0.00 O ATOM 1013 OD2 ASP A 66 -9.776 4.613 5.281 1.00 0.00 O ATOM 0 H ASP A 66 -6.663 6.569 2.558 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.452 3.915 3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.387 6.285 4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.316 6.148 2.571 1.00 0.00 H new ATOM 1018 N ILE A 67 -8.270 4.957 0.391 1.00 0.00 N ATOM 1019 CA ILE A 67 -8.693 4.452 -0.940 1.00 0.00 C ATOM 1020 C ILE A 67 -7.741 3.318 -1.338 1.00 0.00 C ATOM 1021 O ILE A 67 -8.146 2.281 -1.833 1.00 0.00 O ATOM 1022 CB ILE A 67 -8.606 5.590 -1.972 1.00 0.00 C ATOM 1023 CG1 ILE A 67 -9.680 6.667 -1.667 1.00 0.00 C ATOM 1024 CG2 ILE A 67 -8.802 5.022 -3.386 1.00 0.00 C ATOM 1025 CD1 ILE A 67 -11.031 6.298 -2.301 1.00 0.00 C ATOM 0 H ILE A 67 -8.078 5.958 0.436 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.720 4.089 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.622 6.056 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.798 6.772 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.348 7.633 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.740 5.830 -4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.025 4.286 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.780 4.546 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.764 7.071 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.916 6.218 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.372 5.343 -1.901 1.00 0.00 H new ATOM 1037 N LEU A 68 -6.471 3.513 -1.101 1.00 0.00 N ATOM 1038 CA LEU A 68 -5.470 2.464 -1.434 1.00 0.00 C ATOM 1039 C LEU A 68 -5.848 1.175 -0.695 1.00 0.00 C ATOM 1040 O LEU A 68 -5.875 0.104 -1.265 1.00 0.00 O ATOM 1041 CB LEU A 68 -4.084 2.964 -0.996 1.00 0.00 C ATOM 1042 CG LEU A 68 -3.062 1.818 -0.946 1.00 0.00 C ATOM 1043 CD1 LEU A 68 -3.041 1.051 -2.281 1.00 0.00 C ATOM 1044 CD2 LEU A 68 -1.675 2.412 -0.669 1.00 0.00 C ATOM 0 H LEU A 68 -6.084 4.361 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.451 2.259 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.738 3.732 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.158 3.430 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.340 1.120 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.311 0.244 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.029 0.634 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.768 1.732 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.937 1.611 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.412 3.109 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.689 2.939 0.285 1.00 0.00 H new ATOM 1056 N VAL A 69 -6.165 1.275 0.564 1.00 0.00 N ATOM 1057 CA VAL A 69 -6.557 0.069 1.328 1.00 0.00 C ATOM 1058 C VAL A 69 -7.790 -0.545 0.672 1.00 0.00 C ATOM 1059 O VAL A 69 -8.176 -1.649 0.979 1.00 0.00 O ATOM 1060 CB VAL A 69 -6.893 0.480 2.769 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -7.633 -0.657 3.482 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -5.601 0.817 3.526 1.00 0.00 C ATOM 0 H VAL A 69 -6.168 2.145 1.096 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.744 -0.656 1.336 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.536 1.360 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.867 -0.355 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.557 -0.880 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.002 -1.546 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.844 1.108 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.950 -0.057 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.090 1.640 3.026 1.00 0.00 H new ATOM 1072 N GLY A 70 -8.421 0.170 -0.212 1.00 0.00 N ATOM 1073 CA GLY A 70 -9.641 -0.372 -0.867 1.00 0.00 C ATOM 1074 C GLY A 70 -9.266 -1.384 -1.948 1.00 0.00 C ATOM 1075 O GLY A 70 -9.861 -2.438 -2.048 1.00 0.00 O ATOM 0 H GLY A 70 -8.146 1.106 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.280 -0.847 -0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.216 0.442 -1.307 1.00 0.00 H new ATOM 1079 N GLN A 71 -8.284 -1.089 -2.757 1.00 0.00 N ATOM 1080 CA GLN A 71 -7.895 -2.067 -3.812 1.00 0.00 C ATOM 1081 C GLN A 71 -7.104 -3.177 -3.139 1.00 0.00 C ATOM 1082 O GLN A 71 -7.251 -4.341 -3.454 1.00 0.00 O ATOM 1083 CB GLN A 71 -7.104 -1.359 -4.942 1.00 0.00 C ATOM 1084 CG GLN A 71 -5.593 -1.317 -4.668 1.00 0.00 C ATOM 1085 CD GLN A 71 -4.979 -2.713 -4.829 1.00 0.00 C ATOM 1086 OE1 GLN A 71 -3.875 -2.946 -4.395 1.00 0.00 O ATOM 1087 NE2 GLN A 71 -5.668 -3.662 -5.407 1.00 0.00 N ATOM 0 H GLN A 71 -7.741 -0.226 -2.734 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.771 -2.503 -4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.284 -1.875 -5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.477 -0.341 -5.059 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.112 -0.620 -5.355 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.411 -0.947 -3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.599 -3.465 -5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.274 -4.599 -5.492 1.00 0.00 H new ATOM 1096 N ILE A 72 -6.293 -2.830 -2.180 1.00 0.00 N ATOM 1097 CA ILE A 72 -5.533 -3.871 -1.459 1.00 0.00 C ATOM 1098 C ILE A 72 -6.544 -4.687 -0.656 1.00 0.00 C ATOM 1099 O ILE A 72 -6.357 -5.861 -0.407 1.00 0.00 O ATOM 1100 CB ILE A 72 -4.508 -3.210 -0.525 1.00 0.00 C ATOM 1101 CG1 ILE A 72 -3.344 -2.669 -1.359 1.00 0.00 C ATOM 1102 CG2 ILE A 72 -3.969 -4.241 0.477 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -2.416 -1.836 -0.472 1.00 0.00 C ATOM 0 H ILE A 72 -6.128 -1.873 -1.870 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.988 -4.514 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.990 -2.397 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.790 -3.494 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.724 -2.059 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.243 -3.764 1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.793 -4.636 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.488 -5.056 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.589 -1.453 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.973 -1.002 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.025 -2.460 0.332 1.00 0.00 H new ATOM 1115 N ASP A 73 -7.626 -4.066 -0.252 1.00 0.00 N ATOM 1116 CA ASP A 73 -8.656 -4.805 0.532 1.00 0.00 C ATOM 1117 C ASP A 73 -9.247 -5.932 -0.330 1.00 0.00 C ATOM 1118 O ASP A 73 -9.310 -7.075 0.082 1.00 0.00 O ATOM 1119 CB ASP A 73 -9.752 -3.811 0.983 1.00 0.00 C ATOM 1120 CG ASP A 73 -11.097 -4.521 1.212 1.00 0.00 C ATOM 1121 OD1 ASP A 73 -11.632 -5.058 0.256 1.00 0.00 O ATOM 1122 OD2 ASP A 73 -11.573 -4.500 2.334 1.00 0.00 O ATOM 0 H ASP A 73 -7.837 -3.084 -0.432 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.208 -5.256 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.440 -3.316 1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.873 -3.034 0.228 1.00 0.00 H new ATOM 1127 N ASP A 74 -9.691 -5.617 -1.519 1.00 0.00 N ATOM 1128 CA ASP A 74 -10.288 -6.668 -2.394 1.00 0.00 C ATOM 1129 C ASP A 74 -9.226 -7.707 -2.753 1.00 0.00 C ATOM 1130 O ASP A 74 -9.525 -8.866 -2.932 1.00 0.00 O ATOM 1131 CB ASP A 74 -10.824 -6.025 -3.679 1.00 0.00 C ATOM 1132 CG ASP A 74 -12.149 -5.319 -3.384 1.00 0.00 C ATOM 1133 OD1 ASP A 74 -12.285 -4.787 -2.294 1.00 0.00 O ATOM 1134 OD2 ASP A 74 -13.005 -5.325 -4.253 1.00 0.00 O ATOM 0 H ASP A 74 -9.666 -4.680 -1.921 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.105 -7.154 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.099 -5.311 -4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.968 -6.786 -4.446 1.00 0.00 H new ATOM 1139 N ALA A 75 -7.992 -7.314 -2.866 1.00 0.00 N ATOM 1140 CA ALA A 75 -6.944 -8.307 -3.209 1.00 0.00 C ATOM 1141 C ALA A 75 -6.667 -9.172 -1.985 1.00 0.00 C ATOM 1142 O ALA A 75 -6.460 -10.364 -2.095 1.00 0.00 O ATOM 1143 CB ALA A 75 -5.665 -7.589 -3.645 1.00 0.00 C ATOM 0 H ALA A 75 -7.666 -6.356 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.286 -8.934 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.901 -8.326 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.874 -6.972 -4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.307 -6.957 -2.832 1.00 0.00 H new ATOM 1149 N LEU A 76 -6.681 -8.595 -0.811 1.00 0.00 N ATOM 1150 CA LEU A 76 -6.444 -9.405 0.404 1.00 0.00 C ATOM 1151 C LEU A 76 -7.462 -10.548 0.385 1.00 0.00 C ATOM 1152 O LEU A 76 -7.222 -11.628 0.888 1.00 0.00 O ATOM 1153 CB LEU A 76 -6.631 -8.485 1.640 1.00 0.00 C ATOM 1154 CG LEU A 76 -5.516 -8.709 2.714 1.00 0.00 C ATOM 1155 CD1 LEU A 76 -4.952 -7.362 3.185 1.00 0.00 C ATOM 1156 CD2 LEU A 76 -6.093 -9.453 3.929 1.00 0.00 C ATOM 0 H LEU A 76 -6.846 -7.602 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.438 -9.824 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.622 -7.443 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.607 -8.673 2.087 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.721 -9.301 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.177 -7.533 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.525 -6.829 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.752 -6.765 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.308 -9.603 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.898 -8.864 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.483 -10.420 3.612 1.00 0.00 H new ATOM 1168 N LYS A 77 -8.586 -10.314 -0.235 1.00 0.00 N ATOM 1169 CA LYS A 77 -9.619 -11.357 -0.349 1.00 0.00 C ATOM 1170 C LYS A 77 -9.126 -12.451 -1.294 1.00 0.00 C ATOM 1171 O LYS A 77 -9.219 -13.629 -1.010 1.00 0.00 O ATOM 1172 CB LYS A 77 -10.881 -10.731 -0.941 1.00 0.00 C ATOM 1173 CG LYS A 77 -12.054 -11.689 -0.735 1.00 0.00 C ATOM 1174 CD LYS A 77 -12.628 -11.533 0.697 1.00 0.00 C ATOM 1175 CE LYS A 77 -12.977 -12.907 1.282 1.00 0.00 C ATOM 1176 NZ LYS A 77 -13.778 -12.725 2.524 1.00 0.00 N ATOM 0 H LYS A 77 -8.827 -9.425 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.829 -11.782 0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.087 -9.774 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.740 -10.531 -2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.832 -11.486 -1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.726 -12.716 -0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.900 -11.032 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.518 -10.903 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.540 -13.492 0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.066 -13.463 1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.016 -13.655 2.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.225 -12.182 3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.653 -12.210 2.300 1.00 0.00 H new ATOM 1190 N LEU A 78 -8.606 -12.058 -2.426 1.00 0.00 N ATOM 1191 CA LEU A 78 -8.113 -13.057 -3.405 1.00 0.00 C ATOM 1192 C LEU A 78 -7.037 -13.892 -2.716 1.00 0.00 C ATOM 1193 O LEU A 78 -6.884 -15.070 -2.972 1.00 0.00 O ATOM 1194 CB LEU A 78 -7.542 -12.313 -4.632 1.00 0.00 C ATOM 1195 CG LEU A 78 -8.607 -12.239 -5.737 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -9.854 -11.516 -5.208 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -8.037 -11.475 -6.941 1.00 0.00 C ATOM 0 H LEU A 78 -8.503 -11.084 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.914 -13.713 -3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.230 -11.308 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.656 -12.829 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.883 -13.248 -6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.607 -11.466 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.257 -12.062 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.585 -10.506 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.790 -11.421 -7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.760 -10.467 -6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.156 -11.995 -7.318 1.00 0.00 H new ATOM 1209 N ALA A 79 -6.317 -13.291 -1.818 1.00 0.00 N ATOM 1210 CA ALA A 79 -5.276 -14.042 -1.074 1.00 0.00 C ATOM 1211 C ALA A 79 -5.955 -15.106 -0.210 1.00 0.00 C ATOM 1212 O ALA A 79 -5.609 -16.270 -0.245 1.00 0.00 O ATOM 1213 CB ALA A 79 -4.503 -13.076 -0.171 1.00 0.00 C ATOM 0 H ALA A 79 -6.405 -12.307 -1.566 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.588 -14.515 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.737 -13.625 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.031 -12.306 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.190 -12.609 0.535 1.00 0.00 H new ATOM 1219 N ASN A 80 -6.908 -14.700 0.586 1.00 0.00 N ATOM 1220 CA ASN A 80 -7.605 -15.665 1.478 1.00 0.00 C ATOM 1221 CB ASN A 80 -8.378 -14.891 2.562 1.00 0.00 C ATOM 1222 CG ASN A 80 -8.382 -15.714 3.848 1.00 0.00 C ATOM 1223 OD1 ASN A 80 -9.425 -16.074 4.359 1.00 0.00 O ATOM 1224 ND2 ASN A 80 -7.239 -16.027 4.392 1.00 0.00 N ATOM 0 H ASN A 80 -7.234 -13.736 0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.913 -13.921 2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.400 -14.700 2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.217 -16.577 5.251 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.367 -15.722 3.959 1.00 0.00 H new ATOM 1231 C GLU A 81 -8.898 -18.191 -2.147 1.00 0.00 C ATOM 1232 O GLU A 81 -9.433 -19.150 -2.665 1.00 0.00 O ATOM 1233 CG GLU A 81 -11.552 -15.457 -1.641 1.00 0.00 C ATOM 1234 CD GLU A 81 -12.728 -16.360 -1.256 1.00 0.00 C ATOM 1235 OE1 GLU A 81 -12.754 -17.493 -1.704 1.00 0.00 O ATOM 1236 OE2 GLU A 81 -13.585 -15.898 -0.520 1.00 0.00 O ATOM 1239 N GLY A 82 -7.598 -18.026 -2.203 1.00 0.00 N ATOM 1240 CA GLY A 82 -6.733 -19.024 -2.913 1.00 0.00 C ATOM 1241 C GLY A 82 -6.397 -18.543 -4.329 1.00 0.00 C ATOM 1242 O GLY A 82 -5.938 -19.312 -5.153 1.00 0.00 O ATOM 0 H GLY A 82 -7.097 -17.241 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.813 -19.181 -2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.244 -19.985 -2.962 1.00 0.00 H new ATOM 1246 N LYS A 83 -6.608 -17.284 -4.623 1.00 0.00 N ATOM 1247 CA LYS A 83 -6.285 -16.760 -5.993 1.00 0.00 C ATOM 1248 C LYS A 83 -4.920 -16.068 -5.944 1.00 0.00 C ATOM 1249 O LYS A 83 -4.812 -14.868 -5.782 1.00 0.00 O ATOM 1250 CB LYS A 83 -7.369 -15.780 -6.470 1.00 0.00 C ATOM 1251 CG LYS A 83 -8.745 -16.206 -5.952 1.00 0.00 C ATOM 1252 CD LYS A 83 -9.078 -17.638 -6.407 1.00 0.00 C ATOM 1253 CE LYS A 83 -10.445 -18.052 -5.853 1.00 0.00 C ATOM 1254 NZ LYS A 83 -10.969 -19.209 -6.632 1.00 0.00 N ATOM 0 H LYS A 83 -6.990 -16.594 -3.976 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.253 -17.588 -6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.138 -14.774 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.380 -15.743 -7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.762 -16.152 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.506 -15.517 -6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.085 -17.691 -7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.310 -18.328 -6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.356 -18.320 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.141 -17.215 -5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.897 -19.489 -6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.068 -18.938 -7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.308 -20.008 -6.554 1.00 0.00 H new ATOM 1268 N VAL A 84 -3.887 -16.840 -6.073 1.00 0.00 N ATOM 1269 CA VAL A 84 -2.500 -16.292 -6.029 1.00 0.00 C ATOM 1270 C VAL A 84 -2.193 -15.583 -7.340 1.00 0.00 C ATOM 1271 O VAL A 84 -1.981 -14.389 -7.373 1.00 0.00 O ATOM 1272 CB VAL A 84 -1.503 -17.442 -5.839 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -0.083 -16.873 -5.740 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -1.836 -18.217 -4.558 1.00 0.00 C ATOM 0 H VAL A 84 -3.940 -17.849 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.416 -15.589 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.568 -18.118 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.627 -17.689 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.156 -16.331 -6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.022 -16.194 -4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.124 -19.032 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.777 -17.546 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.844 -18.625 -4.631 1.00 0.00 H new ATOM 1284 N LYS A 85 -2.174 -16.307 -8.421 1.00 0.00 N ATOM 1285 CA LYS A 85 -1.879 -15.672 -9.735 1.00 0.00 C ATOM 1286 C LYS A 85 -2.731 -14.412 -9.883 1.00 0.00 C ATOM 1287 O LYS A 85 -2.280 -13.405 -10.388 1.00 0.00 O ATOM 1288 CB LYS A 85 -2.194 -16.659 -10.870 1.00 0.00 C ATOM 1289 CG LYS A 85 -1.197 -17.853 -10.841 1.00 0.00 C ATOM 1290 CD LYS A 85 -1.795 -19.054 -10.065 1.00 0.00 C ATOM 1291 CE LYS A 85 -2.511 -20.000 -11.031 1.00 0.00 C ATOM 1292 NZ LYS A 85 -3.417 -20.904 -10.265 1.00 0.00 N ATOM 0 H LYS A 85 -2.350 -17.311 -8.453 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.824 -15.404 -9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.215 -17.027 -10.768 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.133 -16.149 -11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.957 -18.156 -11.860 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.263 -17.541 -10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.003 -19.589 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.494 -18.697 -9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.084 -19.427 -11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.782 -20.587 -11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.903 -21.547 -10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.859 -21.460 -9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.121 -20.336 -9.752 1.00 0.00 H new ATOM 1306 N GLU A 86 -3.946 -14.444 -9.412 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.792 -13.227 -9.499 1.00 0.00 C ATOM 1308 C GLU A 86 -4.199 -12.184 -8.562 1.00 0.00 C ATOM 1309 O GLU A 86 -4.073 -11.025 -8.902 1.00 0.00 O ATOM 1310 CB GLU A 86 -6.233 -13.529 -9.076 1.00 0.00 C ATOM 1311 CG GLU A 86 -6.801 -14.668 -9.936 1.00 0.00 C ATOM 1312 CD GLU A 86 -8.323 -14.722 -9.778 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -8.873 -13.805 -9.187 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -8.915 -15.679 -10.250 1.00 0.00 O ATOM 0 H GLU A 86 -4.385 -15.254 -8.974 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.812 -12.868 -10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.261 -13.808 -8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.849 -12.636 -9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.539 -14.512 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.360 -15.619 -9.635 1.00 0.00 H new ATOM 1321 N ALA A 87 -3.829 -12.596 -7.376 1.00 0.00 N ATOM 1322 CA ALA A 87 -3.237 -11.628 -6.413 1.00 0.00 C ATOM 1323 C ALA A 87 -1.865 -11.191 -6.925 1.00 0.00 C ATOM 1324 O ALA A 87 -1.534 -10.022 -6.960 1.00 0.00 O ATOM 1325 CB ALA A 87 -3.086 -12.294 -5.045 1.00 0.00 C ATOM 0 H ALA A 87 -3.912 -13.555 -7.037 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.888 -10.759 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.652 -11.584 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.065 -12.611 -4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.433 -13.162 -5.133 1.00 0.00 H new ATOM 1331 N GLN A 88 -1.075 -12.140 -7.329 1.00 0.00 N ATOM 1332 CA GLN A 88 0.283 -11.849 -7.855 1.00 0.00 C ATOM 1333 C GLN A 88 0.154 -10.861 -9.032 1.00 0.00 C ATOM 1334 O GLN A 88 0.769 -9.812 -9.047 1.00 0.00 O ATOM 1335 CB GLN A 88 0.896 -13.214 -8.275 1.00 0.00 C ATOM 1336 CG GLN A 88 1.513 -13.174 -9.672 1.00 0.00 C ATOM 1337 CD GLN A 88 2.366 -14.429 -9.913 1.00 0.00 C ATOM 1338 OE1 GLN A 88 3.246 -14.419 -10.753 1.00 0.00 O ATOM 1339 NE2 GLN A 88 2.150 -15.520 -9.216 1.00 0.00 N ATOM 0 H GLN A 88 -1.320 -13.130 -7.316 1.00 0.00 H new ATOM 0 HA GLN A 88 0.936 -11.380 -7.120 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.659 -13.503 -7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.122 -13.981 -8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.726 -13.111 -10.423 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.129 -12.281 -9.780 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.414 -15.537 -8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.718 -16.351 -9.380 1.00 0.00 H new ATOM 1348 N ALA A 89 -0.644 -11.186 -10.008 1.00 0.00 N ATOM 1349 CA ALA A 89 -0.813 -10.264 -11.169 1.00 0.00 C ATOM 1350 C ALA A 89 -1.264 -8.896 -10.654 1.00 0.00 C ATOM 1351 O ALA A 89 -0.786 -7.863 -11.089 1.00 0.00 O ATOM 1352 CB ALA A 89 -1.874 -10.824 -12.120 1.00 0.00 C ATOM 0 H ALA A 89 -1.187 -12.048 -10.055 1.00 0.00 H new ATOM 0 HA ALA A 89 0.133 -10.167 -11.703 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.996 -10.149 -12.967 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.560 -11.804 -12.479 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.823 -10.918 -11.592 1.00 0.00 H new ATOM 1358 N ALA A 90 -2.159 -8.871 -9.705 1.00 0.00 N ATOM 1359 CA ALA A 90 -2.598 -7.561 -9.158 1.00 0.00 C ATOM 1360 C ALA A 90 -1.373 -6.882 -8.553 1.00 0.00 C ATOM 1361 O ALA A 90 -1.211 -5.691 -8.641 1.00 0.00 O ATOM 1362 CB ALA A 90 -3.658 -7.776 -8.075 1.00 0.00 C ATOM 0 H ALA A 90 -2.600 -9.692 -9.290 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.032 -6.944 -9.945 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.975 -6.811 -7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.517 -8.292 -8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.238 -8.379 -7.270 1.00 0.00 H new ATOM 1368 N ALA A 91 -0.490 -7.640 -7.961 1.00 0.00 N ATOM 1369 CA ALA A 91 0.739 -7.030 -7.368 1.00 0.00 C ATOM 1370 C ALA A 91 1.356 -6.071 -8.393 1.00 0.00 C ATOM 1371 O ALA A 91 1.734 -4.962 -8.068 1.00 0.00 O ATOM 1372 CB ALA A 91 1.745 -8.133 -7.017 1.00 0.00 C ATOM 0 H ALA A 91 -0.564 -8.652 -7.862 1.00 0.00 H new ATOM 0 HA ALA A 91 0.483 -6.485 -6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.640 -7.685 -6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.298 -8.818 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.013 -8.681 -7.920 1.00 0.00 H new ATOM 1378 N GLU A 92 1.428 -6.472 -9.634 1.00 0.00 N ATOM 1379 CA GLU A 92 1.982 -5.561 -10.668 1.00 0.00 C ATOM 1380 C GLU A 92 1.067 -4.341 -10.757 1.00 0.00 C ATOM 1381 O GLU A 92 1.495 -3.254 -11.085 1.00 0.00 O ATOM 1382 CB GLU A 92 2.039 -6.278 -12.025 1.00 0.00 C ATOM 1383 CG GLU A 92 3.147 -7.370 -12.019 1.00 0.00 C ATOM 1384 CD GLU A 92 2.522 -8.770 -11.956 1.00 0.00 C ATOM 1385 OE1 GLU A 92 2.283 -9.242 -10.857 1.00 0.00 O ATOM 1386 OE2 GLU A 92 2.296 -9.344 -13.008 1.00 0.00 O ATOM 0 H GLU A 92 1.128 -7.386 -9.972 1.00 0.00 H new ATOM 0 HA GLU A 92 2.994 -5.256 -10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.073 -6.733 -12.243 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.237 -5.555 -12.817 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.760 -7.279 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.808 -7.221 -11.165 1.00 0.00 H new ATOM 1393 N GLN A 93 -0.188 -4.504 -10.419 1.00 0.00 N ATOM 1394 CA GLN A 93 -1.116 -3.345 -10.433 1.00 0.00 C ATOM 1395 C GLN A 93 -0.737 -2.474 -9.245 1.00 0.00 C ATOM 1396 O GLN A 93 -0.735 -1.261 -9.318 1.00 0.00 O ATOM 1397 CB GLN A 93 -2.569 -3.841 -10.273 1.00 0.00 C ATOM 1398 CG GLN A 93 -3.596 -2.741 -10.651 1.00 0.00 C ATOM 1399 CD GLN A 93 -4.169 -2.066 -9.386 1.00 0.00 C ATOM 1400 OE1 GLN A 93 -5.362 -1.852 -9.292 1.00 0.00 O ATOM 1401 NE2 GLN A 93 -3.369 -1.724 -8.406 1.00 0.00 N ATOM 0 H GLN A 93 -0.604 -5.391 -10.135 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.046 -2.791 -11.369 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.726 -4.717 -10.902 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.735 -4.155 -9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.118 -1.993 -11.283 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.407 -3.179 -11.234 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.367 -1.901 -8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.748 -1.280 -7.569 1.00 0.00 H new ATOM 1410 N LEU A 94 -0.404 -3.098 -8.146 1.00 0.00 N ATOM 1411 CA LEU A 94 -0.009 -2.325 -6.944 1.00 0.00 C ATOM 1412 C LEU A 94 1.298 -1.596 -7.261 1.00 0.00 C ATOM 1413 O LEU A 94 1.488 -0.449 -6.917 1.00 0.00 O ATOM 1414 CB LEU A 94 0.189 -3.270 -5.750 1.00 0.00 C ATOM 1415 CG LEU A 94 -1.161 -3.579 -5.093 1.00 0.00 C ATOM 1416 CD1 LEU A 94 -2.048 -4.349 -6.070 1.00 0.00 C ATOM 1417 CD2 LEU A 94 -0.946 -4.441 -3.849 1.00 0.00 C ATOM 0 H LEU A 94 -0.390 -4.112 -8.034 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.787 -1.608 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.660 -4.195 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.860 -2.814 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.639 -2.639 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.006 -4.566 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.212 -3.748 -6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.560 -5.284 -6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.909 -4.658 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.461 -5.375 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.315 -3.906 -3.140 1.00 0.00 H new ATOM 1429 N LYS A 95 2.198 -2.247 -7.943 1.00 0.00 N ATOM 1430 CA LYS A 95 3.470 -1.572 -8.307 1.00 0.00 C ATOM 1431 C LYS A 95 3.115 -0.282 -9.054 1.00 0.00 C ATOM 1432 O LYS A 95 3.730 0.757 -8.874 1.00 0.00 O ATOM 1433 CB LYS A 95 4.296 -2.502 -9.208 1.00 0.00 C ATOM 1434 CG LYS A 95 4.837 -3.706 -8.387 1.00 0.00 C ATOM 1435 CD LYS A 95 6.257 -4.082 -8.845 1.00 0.00 C ATOM 1436 CE LYS A 95 7.248 -2.944 -8.521 1.00 0.00 C ATOM 1437 NZ LYS A 95 8.556 -3.533 -8.122 1.00 0.00 N ATOM 0 H LYS A 95 2.107 -3.212 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 95 4.059 -1.339 -7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.680 -2.862 -10.032 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.127 -1.950 -9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.846 -3.455 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.172 -4.562 -8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.574 -5.000 -8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.259 -4.280 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.376 -2.299 -9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.855 -2.322 -7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.228 -2.770 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.425 -4.132 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.930 -4.109 -8.903 1.00 0.00 H new ATOM 1451 N THR A 96 2.100 -0.340 -9.872 1.00 0.00 N ATOM 1452 CA THR A 96 1.666 0.871 -10.619 1.00 0.00 C ATOM 1453 C THR A 96 1.060 1.870 -9.635 1.00 0.00 C ATOM 1454 O THR A 96 1.156 3.066 -9.822 1.00 0.00 O ATOM 1455 CB THR A 96 0.619 0.477 -11.666 1.00 0.00 C ATOM 1456 OG1 THR A 96 1.050 -0.695 -12.343 1.00 0.00 O ATOM 1457 CG2 THR A 96 0.446 1.612 -12.674 1.00 0.00 C ATOM 0 H THR A 96 1.551 -1.180 -10.055 1.00 0.00 H new ATOM 0 HA THR A 96 2.521 1.324 -11.121 1.00 0.00 H new ATOM 0 HB THR A 96 -0.334 0.286 -11.172 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.977 -1.466 -11.742 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.299 1.328 -13.417 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.117 2.512 -12.155 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.397 1.806 -13.170 1.00 0.00 H new ATOM 1465 N THR A 97 0.453 1.402 -8.572 1.00 0.00 N ATOM 1466 CA THR A 97 -0.119 2.364 -7.593 1.00 0.00 C ATOM 1467 C THR A 97 1.047 3.203 -7.064 1.00 0.00 C ATOM 1468 O THR A 97 0.951 4.404 -6.918 1.00 0.00 O ATOM 1469 CB THR A 97 -0.830 1.612 -6.445 1.00 0.00 C ATOM 1470 OG1 THR A 97 -2.227 1.608 -6.693 1.00 0.00 O ATOM 1471 CG2 THR A 97 -0.565 2.277 -5.084 1.00 0.00 C ATOM 0 H THR A 97 0.332 0.415 -8.346 1.00 0.00 H new ATOM 0 HA THR A 97 -0.868 3.003 -8.062 1.00 0.00 H new ATOM 0 HB THR A 97 -0.439 0.595 -6.409 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.686 1.131 -5.970 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.081 1.721 -4.301 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.506 2.279 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.933 3.303 -5.103 1.00 0.00 H new ATOM 1479 N ILE A 98 2.159 2.566 -6.793 1.00 0.00 N ATOM 1480 CA ILE A 98 3.341 3.310 -6.295 1.00 0.00 C ATOM 1481 C ILE A 98 3.596 4.470 -7.247 1.00 0.00 C ATOM 1482 O ILE A 98 3.938 5.563 -6.844 1.00 0.00 O ATOM 1483 CB ILE A 98 4.558 2.388 -6.288 1.00 0.00 C ATOM 1484 CG1 ILE A 98 4.217 1.103 -5.527 1.00 0.00 C ATOM 1485 CG2 ILE A 98 5.741 3.090 -5.608 1.00 0.00 C ATOM 1486 CD1 ILE A 98 5.475 0.244 -5.373 1.00 0.00 C ATOM 0 H ILE A 98 2.293 1.560 -6.898 1.00 0.00 H new ATOM 0 HA ILE A 98 3.164 3.673 -5.283 1.00 0.00 H new ATOM 0 HB ILE A 98 4.831 2.144 -7.315 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.810 1.347 -4.546 1.00 0.00 H new ATOM 0 HG13 ILE A 98 3.448 0.546 -6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.606 2.427 -5.606 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.985 4.002 -6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.474 3.341 -4.581 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.228 -0.669 -4.831 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.863 -0.013 -6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.231 0.801 -4.819 1.00 0.00 H new ATOM 1498 N ARG A 99 3.425 4.241 -8.517 1.00 0.00 N ATOM 1499 CA ARG A 99 3.646 5.341 -9.485 1.00 0.00 C ATOM 1500 C ARG A 99 2.591 6.434 -9.252 1.00 0.00 C ATOM 1501 O ARG A 99 2.904 7.601 -9.109 1.00 0.00 O ATOM 1502 CB ARG A 99 3.545 4.811 -10.922 1.00 0.00 C ATOM 1503 CG ARG A 99 4.314 5.748 -11.878 1.00 0.00 C ATOM 1504 CD ARG A 99 5.796 5.343 -11.941 1.00 0.00 C ATOM 1505 NE ARG A 99 5.967 4.211 -12.909 1.00 0.00 N ATOM 1506 CZ ARG A 99 6.098 2.970 -12.496 1.00 0.00 C ATOM 1507 NH1 ARG A 99 6.070 2.678 -11.222 1.00 0.00 N ATOM 1508 NH2 ARG A 99 6.248 2.015 -13.373 1.00 0.00 N ATOM 0 H ARG A 99 3.144 3.348 -8.921 1.00 0.00 H new ATOM 0 HA ARG A 99 4.643 5.757 -9.340 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.955 3.803 -10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.499 4.747 -11.223 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.875 5.703 -12.874 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.226 6.780 -11.537 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.403 6.194 -12.250 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.144 5.045 -10.952 1.00 0.00 H new ATOM 0 HE ARG A 99 5.982 4.408 -13.910 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.945 3.418 -10.532 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.173 1.710 -10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.263 2.235 -14.369 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.350 1.049 -13.062 1.00 0.00 H new ATOM 1522 N ALA A 100 1.335 6.061 -9.209 1.00 0.00 N ATOM 1523 CA ALA A 100 0.262 7.074 -8.981 1.00 0.00 C ATOM 1524 C ALA A 100 0.434 7.678 -7.590 1.00 0.00 C ATOM 1525 O ALA A 100 -0.023 8.768 -7.304 1.00 0.00 O ATOM 1526 CB ALA A 100 -1.107 6.402 -9.078 1.00 0.00 C ATOM 0 H ALA A 100 1.009 5.101 -9.322 1.00 0.00 H new ATOM 0 HA ALA A 100 0.332 7.858 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.889 7.143 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.228 5.964 -10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.182 5.619 -8.323 1.00 0.00 H new ATOM 1532 N TYR A 101 1.106 6.985 -6.723 1.00 0.00 N ATOM 1533 CA TYR A 101 1.324 7.523 -5.363 1.00 0.00 C ATOM 1534 C TYR A 101 2.351 8.648 -5.478 1.00 0.00 C ATOM 1535 O TYR A 101 2.296 9.631 -4.774 1.00 0.00 O ATOM 1536 CB TYR A 101 1.831 6.395 -4.469 1.00 0.00 C ATOM 1537 CG TYR A 101 2.442 6.931 -3.207 1.00 0.00 C ATOM 1538 CD1 TYR A 101 3.779 7.322 -3.215 1.00 0.00 C ATOM 1539 CD2 TYR A 101 1.686 7.024 -2.036 1.00 0.00 C ATOM 1540 CE1 TYR A 101 4.371 7.805 -2.048 1.00 0.00 C ATOM 1541 CE2 TYR A 101 2.276 7.509 -0.865 1.00 0.00 C ATOM 1542 CZ TYR A 101 3.619 7.902 -0.871 1.00 0.00 C ATOM 1543 OH TYR A 101 4.204 8.378 0.284 1.00 0.00 O ATOM 0 H TYR A 101 1.514 6.067 -6.899 1.00 0.00 H new ATOM 0 HA TYR A 101 0.406 7.915 -4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.007 5.726 -4.221 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.569 5.803 -5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.357 7.251 -4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.649 6.722 -2.035 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.409 8.104 -2.052 1.00 0.00 H new ATOM 0 HE2 TYR A 101 1.696 7.580 0.043 1.00 0.00 H new ATOM 0 HH TYR A 101 4.468 9.313 0.156 1.00 0.00 H new ATOM 1553 N ASN A 102 3.273 8.525 -6.396 1.00 0.00 N ATOM 1554 CA ASN A 102 4.275 9.610 -6.575 1.00 0.00 C ATOM 1555 C ASN A 102 3.528 10.866 -7.031 1.00 0.00 C ATOM 1556 O ASN A 102 3.908 11.973 -6.708 1.00 0.00 O ATOM 1557 CB ASN A 102 5.345 9.184 -7.597 1.00 0.00 C ATOM 1558 CG ASN A 102 5.910 10.399 -8.349 1.00 0.00 C ATOM 1559 OD1 ASN A 102 6.212 10.315 -9.523 1.00 0.00 O ATOM 1560 ND2 ASN A 102 6.056 11.531 -7.717 1.00 0.00 N ATOM 0 H ASN A 102 3.374 7.727 -7.023 1.00 0.00 H new ATOM 0 HA ASN A 102 4.794 9.816 -5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.153 8.662 -7.085 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.912 8.481 -8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.424 12.346 -8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.802 11.601 -6.732 1.00 0.00 H new ATOM 1567 N GLN A 103 2.442 10.706 -7.742 1.00 0.00 N ATOM 1568 CA GLN A 103 1.678 11.898 -8.155 1.00 0.00 C ATOM 1569 C GLN A 103 1.155 12.500 -6.855 1.00 0.00 C ATOM 1570 O GLN A 103 0.976 13.695 -6.724 1.00 0.00 O ATOM 1571 CB GLN A 103 0.529 11.480 -9.099 1.00 0.00 C ATOM 1572 CG GLN A 103 -0.641 12.464 -8.988 1.00 0.00 C ATOM 1573 CD GLN A 103 -1.534 12.098 -7.794 1.00 0.00 C ATOM 1574 OE1 GLN A 103 -2.585 12.679 -7.608 1.00 0.00 O ATOM 1575 NE2 GLN A 103 -1.156 11.157 -6.973 1.00 0.00 N ATOM 0 H GLN A 103 2.063 9.810 -8.047 1.00 0.00 H new ATOM 0 HA GLN A 103 2.279 12.621 -8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.889 11.448 -10.127 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.191 10.474 -8.848 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.261 13.479 -8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.227 12.448 -9.907 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.274 10.669 -7.128 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.742 10.910 -6.176 1.00 0.00 H new ATOM 1584 N LYS A 104 0.980 11.661 -5.870 1.00 0.00 N ATOM 1585 CA LYS A 104 0.549 12.142 -4.533 1.00 0.00 C ATOM 1586 C LYS A 104 1.819 12.698 -3.870 1.00 0.00 C ATOM 1587 O LYS A 104 1.835 13.803 -3.363 1.00 0.00 O ATOM 1588 CB LYS A 104 -0.126 10.966 -3.766 1.00 0.00 C ATOM 1589 CG LYS A 104 0.576 10.613 -2.446 1.00 0.00 C ATOM 1590 CD LYS A 104 -0.357 9.750 -1.577 1.00 0.00 C ATOM 1591 CE LYS A 104 -1.264 10.639 -0.715 1.00 0.00 C ATOM 1592 NZ LYS A 104 -2.307 9.797 -0.066 1.00 0.00 N ATOM 0 H LYS A 104 1.120 10.653 -5.939 1.00 0.00 H new ATOM 0 HA LYS A 104 -0.203 12.931 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.164 11.226 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.141 10.085 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.502 10.075 -2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.847 11.524 -1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.966 9.108 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.235 9.095 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.673 11.154 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.732 11.407 -1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.132 10.385 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.596 9.039 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.922 9.377 0.804 1.00 0.00 H new ATOM 1606 N TYR A 105 2.899 11.956 -3.925 1.00 0.00 N ATOM 1607 CA TYR A 105 4.190 12.451 -3.360 1.00 0.00 C ATOM 1608 C TYR A 105 4.905 13.282 -4.437 1.00 0.00 C ATOM 1609 O TYR A 105 6.118 13.344 -4.491 1.00 0.00 O ATOM 1610 CB TYR A 105 5.069 11.250 -2.921 1.00 0.00 C ATOM 1611 CG TYR A 105 5.111 11.178 -1.415 1.00 0.00 C ATOM 1612 CD1 TYR A 105 3.922 11.001 -0.719 1.00 0.00 C ATOM 1613 CD2 TYR A 105 6.323 11.301 -0.725 1.00 0.00 C ATOM 1614 CE1 TYR A 105 3.929 10.944 0.675 1.00 0.00 C ATOM 1615 CE2 TYR A 105 6.335 11.243 0.671 1.00 0.00 C ATOM 1616 CZ TYR A 105 5.136 11.065 1.370 1.00 0.00 C ATOM 1617 OH TYR A 105 5.141 11.011 2.743 1.00 0.00 O ATOM 0 H TYR A 105 2.940 11.025 -4.339 1.00 0.00 H new ATOM 0 HA TYR A 105 4.006 13.072 -2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 105 4.666 10.323 -3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 105 6.078 11.360 -3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 105 2.991 10.907 -1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.245 11.440 -1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 105 3.004 10.807 1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 105 7.267 11.335 1.209 1.00 0.00 H new ATOM 0 HH TYR A 105 5.412 10.115 3.034 1.00 0.00 H new ATOM 1627 N GLY A 106 4.156 13.927 -5.289 1.00 0.00 N ATOM 1628 CA GLY A 106 4.783 14.760 -6.360 1.00 0.00 C ATOM 1629 C GLY A 106 3.824 15.882 -6.762 1.00 0.00 C ATOM 1630 O GLY A 106 3.314 16.545 -5.873 1.00 0.00 O ATOM 1631 OXT GLY A 106 3.618 16.061 -7.951 1.00 0.00 O ATOM 0 H GLY A 106 3.136 13.915 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.723 15.181 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 106 5.018 14.141 -7.226 1.00 0.00 H new