USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 749 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 SER OG : rot -80:sc= 1.08 USER MOD Set 1.2: A 98 GLN : amide:sc= 1.66 K(o=2.7,f=-2!) USER MOD Set 2.1: A 59 ASN : amide:sc= 2.09 K(o=2.8,f=-5.9!) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.732 K(o=2.8,f=-5.9) USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 1.12 USER MOD Set 3.2: A 11 SER OG : rot -84:sc= 1.98 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.128 X(o=-0.13,f=-0.61) USER MOD Single : A 14 THR OG1 : rot 46:sc= 1.27 USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= -0.128 (180deg=-0.224) USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= 0.993 (180deg=0.756) USER MOD Single : A 37 MET CE :methyl 169:sc=-0.00224 (180deg=-0.153) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.177 K(o=-0.18,f=-3.4!) USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= -0.0867 (180deg=-0.243) USER MOD Single : A 54 THR OG1 : rot 80:sc= 0.651 USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 0.884 (180deg=0.814) USER MOD Single : A 63 ASN : amide:sc= 1.18 K(o=1.2,f=-4.9!) USER MOD Single : A 66 THR OG1 : rot -59:sc= 1.34 USER MOD Single : A 69 LYS NZ :NH3+ -139:sc=-0.00293 (180deg=-0.898) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 41:sc= 0.919 USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= 1.31 (180deg=1.14) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0.85 K(o=0.85,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 3 4.034 -8.945 1.313 1.00 0.00 N ATOM 25 CA LYS A 3 2.771 -8.799 2.024 1.00 0.00 C ATOM 26 C LYS A 3 1.828 -7.992 1.128 1.00 0.00 C ATOM 27 O LYS A 3 1.031 -7.189 1.607 1.00 0.00 O ATOM 28 CB LYS A 3 3.014 -8.092 3.365 1.00 0.00 C ATOM 29 CG LYS A 3 4.096 -8.787 4.199 1.00 0.00 C ATOM 30 CD LYS A 3 4.252 -8.076 5.548 1.00 0.00 C ATOM 31 CE LYS A 3 5.484 -8.609 6.285 1.00 0.00 C ATOM 32 NZ LYS A 3 5.755 -7.841 7.513 1.00 0.00 N ATOM 0 HA LYS A 3 2.324 -9.769 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.308 -7.059 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.084 -8.063 3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.830 -9.832 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.044 -8.777 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.348 -7.001 5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.360 -8.231 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.332 -9.658 6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.351 -8.562 5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.596 -8.229 7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.924 -6.844 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.937 -7.907 8.151 1.00 0.00 H new ATOM 46 N ILE A 4 1.958 -8.175 -0.189 1.00 0.00 N ATOM 47 CA ILE A 4 1.204 -7.419 -1.174 1.00 0.00 C ATOM 48 C ILE A 4 -0.157 -8.055 -1.432 1.00 0.00 C ATOM 49 O ILE A 4 -0.266 -9.276 -1.548 1.00 0.00 O ATOM 50 CB ILE A 4 2.032 -7.271 -2.458 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.338 -6.532 -2.110 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.227 -6.519 -3.522 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.118 -6.056 -3.336 1.00 0.00 C ATOM 0 H ILE A 4 2.596 -8.858 -0.597 1.00 0.00 H new ATOM 0 HA ILE A 4 1.007 -6.420 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 4 2.275 -8.250 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.103 -5.672 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.973 -7.193 -1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.825 -6.420 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.315 -7.072 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.967 -5.528 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.025 -5.545 -3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.385 -6.914 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.501 -5.370 -3.916 1.00 0.00 H new ATOM 65 N ILE A 5 -1.190 -7.218 -1.542 1.00 0.00 N ATOM 66 CA ILE A 5 -2.553 -7.668 -1.800 1.00 0.00 C ATOM 67 C ILE A 5 -2.837 -7.669 -3.299 1.00 0.00 C ATOM 68 O ILE A 5 -2.759 -6.640 -3.963 1.00 0.00 O ATOM 69 CB ILE A 5 -3.565 -6.817 -1.009 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.168 -6.611 0.467 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.969 -7.429 -1.107 1.00 0.00 C ATOM 72 CD1 ILE A 5 -2.951 -7.908 1.256 1.00 0.00 C ATOM 0 H ILE A 5 -1.101 -6.206 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.662 -8.695 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.564 -5.828 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.252 -6.021 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.945 -6.026 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.673 -6.817 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.277 -7.467 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.955 -8.438 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.675 -7.667 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.871 -8.493 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.153 -8.487 0.792 1.00 0.00 H new ATOM 84 N HIS A 6 -3.166 -8.843 -3.834 1.00 0.00 N ATOM 85 CA HIS A 6 -3.439 -9.055 -5.243 1.00 0.00 C ATOM 86 C HIS A 6 -4.922 -8.816 -5.512 1.00 0.00 C ATOM 87 O HIS A 6 -5.760 -9.641 -5.158 1.00 0.00 O ATOM 88 CB HIS A 6 -2.923 -10.450 -5.604 1.00 0.00 C ATOM 89 CG HIS A 6 -1.426 -10.493 -5.408 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.740 -10.967 -4.300 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.578 -9.662 -6.081 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.507 -10.458 -4.342 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.630 -9.679 -5.425 1.00 0.00 N ATOM 0 H HIS A 6 -3.251 -9.694 -3.278 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.921 -8.349 -5.892 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.405 -11.202 -4.979 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.173 -10.687 -6.638 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -1.112 -11.589 -3.582 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.813 -9.094 -6.969 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.285 -10.648 -3.617 1.00 0.00 H new ATOM 102 N LEU A 7 -5.231 -7.658 -6.099 1.00 0.00 N ATOM 103 CA LEU A 7 -6.583 -7.195 -6.347 1.00 0.00 C ATOM 104 C LEU A 7 -7.127 -7.629 -7.702 1.00 0.00 C ATOM 105 O LEU A 7 -6.383 -7.985 -8.617 1.00 0.00 O ATOM 106 CB LEU A 7 -6.584 -5.661 -6.333 1.00 0.00 C ATOM 107 CG LEU A 7 -6.015 -5.032 -5.059 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.081 -3.509 -5.203 1.00 0.00 C ATOM 109 CD2 LEU A 7 -6.831 -5.448 -3.840 1.00 0.00 C ATOM 0 H LEU A 7 -4.520 -7.002 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.212 -7.629 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.008 -5.303 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.607 -5.311 -6.469 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.987 -5.368 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.680 -3.041 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.493 -3.199 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.118 -3.201 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.409 -4.989 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.863 -5.119 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.805 -6.533 -3.738 1.00 0.00 H new ATOM 121 N THR A 8 -8.446 -7.496 -7.827 1.00 0.00 N ATOM 122 CA THR A 8 -9.213 -7.676 -9.042 1.00 0.00 C ATOM 123 C THR A 8 -10.202 -6.513 -9.087 1.00 0.00 C ATOM 124 O THR A 8 -10.454 -5.891 -8.054 1.00 0.00 O ATOM 125 CB THR A 8 -9.955 -9.021 -9.050 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.936 -9.068 -8.025 1.00 0.00 O ATOM 127 CG2 THR A 8 -8.987 -10.197 -8.880 1.00 0.00 C ATOM 0 H THR A 8 -9.035 -7.245 -7.033 1.00 0.00 H new ATOM 0 HA THR A 8 -8.561 -7.687 -9.915 1.00 0.00 H new ATOM 0 HB THR A 8 -10.445 -9.108 -10.020 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.396 -9.933 -8.052 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.546 -11.133 -8.890 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.266 -10.196 -9.698 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.460 -10.100 -7.931 1.00 0.00 H new ATOM 135 N ASP A 9 -10.783 -6.220 -10.253 1.00 0.00 N ATOM 136 CA ASP A 9 -11.767 -5.151 -10.370 1.00 0.00 C ATOM 137 C ASP A 9 -12.889 -5.358 -9.344 1.00 0.00 C ATOM 138 O ASP A 9 -13.308 -4.425 -8.666 1.00 0.00 O ATOM 139 CB ASP A 9 -12.329 -5.105 -11.794 1.00 0.00 C ATOM 140 CG ASP A 9 -13.196 -3.864 -11.987 1.00 0.00 C ATOM 141 OD1 ASP A 9 -12.599 -2.794 -12.235 1.00 0.00 O ATOM 142 OD2 ASP A 9 -14.432 -4.009 -11.882 1.00 0.00 O ATOM 0 H ASP A 9 -10.587 -6.710 -11.126 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.285 -4.195 -10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.511 -5.100 -12.514 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.918 -6.001 -11.988 1.00 0.00 H new ATOM 147 N ASP A 10 -13.347 -6.608 -9.235 1.00 0.00 N ATOM 148 CA ASP A 10 -14.404 -7.032 -8.329 1.00 0.00 C ATOM 149 C ASP A 10 -14.046 -6.771 -6.865 1.00 0.00 C ATOM 150 O ASP A 10 -14.873 -6.267 -6.108 1.00 0.00 O ATOM 151 CB ASP A 10 -14.694 -8.527 -8.531 1.00 0.00 C ATOM 152 CG ASP A 10 -14.991 -8.871 -9.986 1.00 0.00 C ATOM 153 OD1 ASP A 10 -14.006 -8.934 -10.755 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.186 -9.061 -10.300 1.00 0.00 O ATOM 0 H ASP A 10 -12.976 -7.374 -9.797 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.292 -6.444 -8.563 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.838 -9.109 -8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.543 -8.816 -7.912 1.00 0.00 H new ATOM 159 N SER A 11 -12.826 -7.126 -6.449 1.00 0.00 N ATOM 160 CA SER A 11 -12.418 -6.976 -5.053 1.00 0.00 C ATOM 161 C SER A 11 -12.048 -5.527 -4.730 1.00 0.00 C ATOM 162 O SER A 11 -12.137 -5.112 -3.571 1.00 0.00 O ATOM 163 CB SER A 11 -11.246 -7.918 -4.754 1.00 0.00 C ATOM 164 OG SER A 11 -10.213 -7.765 -5.708 1.00 0.00 O ATOM 0 H SER A 11 -12.108 -7.518 -7.058 1.00 0.00 H new ATOM 0 HA SER A 11 -13.262 -7.243 -4.417 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.857 -7.714 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.596 -8.950 -4.755 1.00 0.00 H new ATOM 0 HG SER A 11 -10.417 -8.305 -6.500 1.00 0.00 H new ATOM 170 N PHE A 12 -11.623 -4.773 -5.746 1.00 0.00 N ATOM 171 CA PHE A 12 -11.185 -3.390 -5.659 1.00 0.00 C ATOM 172 C PHE A 12 -11.978 -2.545 -4.662 1.00 0.00 C ATOM 173 O PHE A 12 -11.391 -1.912 -3.792 1.00 0.00 O ATOM 174 CB PHE A 12 -11.230 -2.742 -7.048 1.00 0.00 C ATOM 175 CG PHE A 12 -10.278 -1.577 -7.183 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.611 -0.312 -6.665 1.00 0.00 C ATOM 177 CD2 PHE A 12 -8.987 -1.812 -7.684 1.00 0.00 C ATOM 178 CE1 PHE A 12 -9.652 0.714 -6.662 1.00 0.00 C ATOM 179 CE2 PHE A 12 -8.059 -0.765 -7.756 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.391 0.499 -7.244 1.00 0.00 C ATOM 0 H PHE A 12 -11.575 -5.135 -6.698 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.163 -3.419 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.988 -3.492 -7.801 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.245 -2.401 -7.252 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.600 -0.131 -6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.709 -2.802 -8.014 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.884 1.668 -6.212 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.090 -0.930 -8.204 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.677 1.307 -7.297 1.00 0.00 H new ATOM 190 N ASP A 13 -13.307 -2.498 -4.783 1.00 0.00 N ATOM 191 CA ASP A 13 -14.126 -1.674 -3.900 1.00 0.00 C ATOM 192 C ASP A 13 -13.820 -1.968 -2.428 1.00 0.00 C ATOM 193 O ASP A 13 -13.399 -1.092 -1.675 1.00 0.00 O ATOM 194 CB ASP A 13 -15.614 -1.887 -4.204 1.00 0.00 C ATOM 195 CG ASP A 13 -16.487 -1.153 -3.190 1.00 0.00 C ATOM 196 OD1 ASP A 13 -16.649 0.073 -3.361 1.00 0.00 O ATOM 197 OD2 ASP A 13 -16.957 -1.830 -2.249 1.00 0.00 O ATOM 0 H ASP A 13 -13.835 -3.020 -5.483 1.00 0.00 H new ATOM 0 HA ASP A 13 -13.882 -0.628 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.839 -1.530 -5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.844 -2.952 -4.185 1.00 0.00 H new ATOM 202 N THR A 14 -14.032 -3.215 -2.027 1.00 0.00 N ATOM 203 CA THR A 14 -13.820 -3.666 -0.669 1.00 0.00 C ATOM 204 C THR A 14 -12.368 -3.505 -0.224 1.00 0.00 C ATOM 205 O THR A 14 -12.098 -3.091 0.900 1.00 0.00 O ATOM 206 CB THR A 14 -14.260 -5.137 -0.587 1.00 0.00 C ATOM 207 OG1 THR A 14 -14.163 -5.757 -1.860 1.00 0.00 O ATOM 208 CG2 THR A 14 -15.719 -5.221 -0.144 1.00 0.00 C ATOM 0 H THR A 14 -14.362 -3.950 -2.652 1.00 0.00 H new ATOM 0 HA THR A 14 -14.411 -3.050 0.009 1.00 0.00 H new ATOM 0 HB THR A 14 -13.609 -5.640 0.128 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.303 -5.529 -2.270 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.023 -6.266 -0.088 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.829 -4.759 0.837 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.349 -4.698 -0.864 1.00 0.00 H new ATOM 216 N ASP A 15 -11.432 -3.885 -1.088 1.00 0.00 N ATOM 217 CA ASP A 15 -10.023 -3.907 -0.736 1.00 0.00 C ATOM 218 C ASP A 15 -9.369 -2.524 -0.747 1.00 0.00 C ATOM 219 O ASP A 15 -8.361 -2.342 -0.070 1.00 0.00 O ATOM 220 CB ASP A 15 -9.281 -4.849 -1.685 1.00 0.00 C ATOM 221 CG ASP A 15 -9.597 -6.325 -1.448 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.800 -6.662 -1.389 1.00 0.00 O ATOM 223 OD2 ASP A 15 -8.622 -7.100 -1.342 1.00 0.00 O ATOM 0 H ASP A 15 -11.630 -4.183 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.955 -4.265 0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.536 -4.591 -2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.208 -4.693 -1.574 1.00 0.00 H new ATOM 228 N VAL A 16 -9.881 -1.583 -1.545 1.00 0.00 N ATOM 229 CA VAL A 16 -9.299 -0.260 -1.722 1.00 0.00 C ATOM 230 C VAL A 16 -10.247 0.840 -1.261 1.00 0.00 C ATOM 231 O VAL A 16 -9.925 1.585 -0.339 1.00 0.00 O ATOM 232 CB VAL A 16 -8.921 -0.056 -3.201 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.283 1.320 -3.430 1.00 0.00 C ATOM 234 CG2 VAL A 16 -7.991 -1.169 -3.700 1.00 0.00 C ATOM 0 H VAL A 16 -10.728 -1.727 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.404 -0.198 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.844 -0.102 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.028 1.432 -4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.988 2.100 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.379 1.407 -2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.744 -0.994 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.076 -1.172 -3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.491 -2.133 -3.601 1.00 0.00 H new ATOM 244 N LEU A 17 -11.413 0.967 -1.897 1.00 0.00 N ATOM 245 CA LEU A 17 -12.335 2.053 -1.583 1.00 0.00 C ATOM 246 C LEU A 17 -12.792 1.994 -0.127 1.00 0.00 C ATOM 247 O LEU A 17 -12.953 3.034 0.506 1.00 0.00 O ATOM 248 CB LEU A 17 -13.499 2.110 -2.583 1.00 0.00 C ATOM 249 CG LEU A 17 -13.035 2.255 -4.046 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.262 2.350 -4.960 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.161 3.499 -4.262 1.00 0.00 C ATOM 0 H LEU A 17 -11.737 0.334 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.798 2.995 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.097 1.204 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.147 2.949 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.435 1.377 -4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.937 2.453 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.864 1.447 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.859 3.218 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.860 3.555 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.728 4.392 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.274 3.434 -3.633 1.00 0.00 H new ATOM 263 N LYS A 18 -12.973 0.789 0.418 1.00 0.00 N ATOM 264 CA LYS A 18 -13.355 0.628 1.817 1.00 0.00 C ATOM 265 C LYS A 18 -12.132 0.498 2.740 1.00 0.00 C ATOM 266 O LYS A 18 -12.304 0.261 3.936 1.00 0.00 O ATOM 267 CB LYS A 18 -14.327 -0.550 1.971 1.00 0.00 C ATOM 268 CG LYS A 18 -15.570 -0.377 1.082 1.00 0.00 C ATOM 269 CD LYS A 18 -16.638 -1.446 1.356 1.00 0.00 C ATOM 270 CE LYS A 18 -17.711 -0.990 2.356 1.00 0.00 C ATOM 271 NZ LYS A 18 -17.152 -0.671 3.680 1.00 0.00 N ATOM 0 H LYS A 18 -12.860 -0.088 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.873 1.534 2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.819 -1.478 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.633 -0.636 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.998 0.612 1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.273 -0.424 0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.119 -1.718 0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.153 -2.344 1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.222 -0.112 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.461 -1.774 2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.927 -0.484 4.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.587 -1.475 4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.547 0.172 3.607 1.00 0.00 H new ATOM 314 N ALA A 22 -4.112 3.521 4.514 1.00 0.00 N ATOM 315 CA ALA A 22 -3.384 3.900 3.314 1.00 0.00 C ATOM 316 C ALA A 22 -3.114 2.651 2.477 1.00 0.00 C ATOM 317 O ALA A 22 -2.437 1.733 2.941 1.00 0.00 O ATOM 318 CB ALA A 22 -2.087 4.612 3.707 1.00 0.00 C ATOM 0 HA ALA A 22 -3.974 4.591 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.541 4.896 2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.323 5.505 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.472 3.942 4.308 1.00 0.00 H new ATOM 324 N ILE A 23 -3.636 2.626 1.250 1.00 0.00 N ATOM 325 CA ILE A 23 -3.472 1.564 0.269 1.00 0.00 C ATOM 326 C ILE A 23 -2.640 2.117 -0.881 1.00 0.00 C ATOM 327 O ILE A 23 -2.858 3.247 -1.308 1.00 0.00 O ATOM 328 CB ILE A 23 -4.845 1.054 -0.210 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.432 -0.081 0.637 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.874 0.671 -1.695 1.00 0.00 C ATOM 331 CD1 ILE A 23 -5.111 -1.500 0.167 1.00 0.00 C ATOM 0 H ILE A 23 -4.215 3.389 0.900 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.959 0.709 0.708 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.489 1.922 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.073 0.032 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.515 0.035 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.871 0.321 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.621 1.542 -2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.150 -0.122 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.577 -2.220 0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.496 -1.645 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.031 -1.648 0.168 1.00 0.00 H new ATOM 343 N LEU A 24 -1.715 1.310 -1.396 1.00 0.00 N ATOM 344 CA LEU A 24 -0.865 1.666 -2.525 1.00 0.00 C ATOM 345 C LEU A 24 -1.072 0.615 -3.605 1.00 0.00 C ATOM 346 O LEU A 24 -0.498 -0.465 -3.516 1.00 0.00 O ATOM 347 CB LEU A 24 0.593 1.777 -2.055 1.00 0.00 C ATOM 348 CG LEU A 24 1.613 2.295 -3.087 1.00 0.00 C ATOM 349 CD1 LEU A 24 2.101 1.228 -4.074 1.00 0.00 C ATOM 350 CD2 LEU A 24 1.107 3.517 -3.854 1.00 0.00 C ATOM 0 H LEU A 24 -1.534 0.374 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.124 2.639 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.622 2.436 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.918 0.793 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 24 2.470 2.591 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.816 1.673 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.583 0.418 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.252 0.833 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.866 3.839 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.193 3.258 -4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.901 4.326 -3.154 1.00 0.00 H new ATOM 362 N VAL A 25 -1.900 0.920 -4.609 1.00 0.00 N ATOM 363 CA VAL A 25 -2.193 -0.015 -5.685 1.00 0.00 C ATOM 364 C VAL A 25 -1.214 0.178 -6.836 1.00 0.00 C ATOM 365 O VAL A 25 -1.247 1.205 -7.511 1.00 0.00 O ATOM 366 CB VAL A 25 -3.632 0.129 -6.203 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.905 -0.991 -7.218 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.666 0.048 -5.079 1.00 0.00 C ATOM 0 H VAL A 25 -2.380 1.816 -4.693 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.085 -1.019 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.725 1.112 -6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.924 -0.901 -7.594 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.203 -0.909 -8.048 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.782 -1.959 -6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.667 0.155 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.584 -0.916 -4.578 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.485 0.847 -4.360 1.00 0.00 H new ATOM 378 N ASP A 26 -0.383 -0.836 -7.078 1.00 0.00 N ATOM 379 CA ASP A 26 0.537 -0.885 -8.197 1.00 0.00 C ATOM 380 C ASP A 26 -0.161 -1.578 -9.365 1.00 0.00 C ATOM 381 O ASP A 26 -0.339 -2.797 -9.356 1.00 0.00 O ATOM 382 CB ASP A 26 1.811 -1.636 -7.805 1.00 0.00 C ATOM 383 CG ASP A 26 2.671 -1.912 -9.033 1.00 0.00 C ATOM 384 OD1 ASP A 26 2.865 -1.047 -9.879 1.00 0.00 O ATOM 385 OD2 ASP A 26 3.199 -3.154 -9.174 1.00 0.00 O ATOM 0 H ASP A 26 -0.336 -1.663 -6.482 1.00 0.00 H new ATOM 0 HA ASP A 26 0.824 0.125 -8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.378 -1.049 -7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.550 -2.576 -7.318 1.00 0.00 H new ATOM 391 N PHE A 27 -0.528 -0.810 -10.386 1.00 0.00 N ATOM 392 CA PHE A 27 -1.137 -1.356 -11.584 1.00 0.00 C ATOM 393 C PHE A 27 0.003 -1.919 -12.428 1.00 0.00 C ATOM 394 O PHE A 27 0.917 -1.172 -12.781 1.00 0.00 O ATOM 395 CB PHE A 27 -1.918 -0.265 -12.321 1.00 0.00 C ATOM 396 CG PHE A 27 -3.233 0.093 -11.653 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.249 0.792 -10.432 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.449 -0.300 -12.242 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.471 1.081 -9.801 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.671 0.017 -11.624 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.685 0.707 -10.401 1.00 0.00 C ATOM 0 H PHE A 27 -0.410 0.203 -10.402 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.855 -2.144 -11.356 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.299 0.630 -12.391 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.116 -0.596 -13.341 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.321 1.107 -9.979 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.443 -0.848 -13.173 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.477 1.593 -8.850 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.601 -0.271 -12.091 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.624 0.949 -9.924 1.00 0.00 H new ATOM 411 N TRP A 28 -0.036 -3.222 -12.722 1.00 0.00 N ATOM 412 CA TRP A 28 0.995 -3.916 -13.480 1.00 0.00 C ATOM 413 C TRP A 28 0.373 -4.857 -14.509 1.00 0.00 C ATOM 414 O TRP A 28 -0.847 -4.964 -14.605 1.00 0.00 O ATOM 415 CB TRP A 28 1.929 -4.661 -12.517 1.00 0.00 C ATOM 416 CG TRP A 28 1.388 -5.905 -11.886 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.510 -5.959 -10.862 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.660 -7.292 -12.249 1.00 0.00 C ATOM 419 NE1 TRP A 28 0.196 -7.276 -10.593 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.843 -8.141 -11.450 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.534 -7.920 -13.160 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.835 -9.537 -11.600 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.542 -9.317 -13.315 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.664 -10.122 -12.571 1.00 0.00 C ATOM 0 H TRP A 28 -0.802 -3.830 -12.432 1.00 0.00 H new ATOM 0 HA TRP A 28 1.587 -3.187 -14.033 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.839 -4.922 -13.058 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.217 -3.973 -11.722 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.114 -5.104 -10.335 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.437 -7.573 -9.851 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.209 -7.317 -13.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.201 -10.152 -10.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.229 -9.775 -14.012 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.626 -11.187 -12.745 1.00 0.00 H new ATOM 435 N ALA A 29 1.225 -5.543 -15.275 1.00 0.00 N ATOM 436 CA ALA A 29 0.823 -6.503 -16.289 1.00 0.00 C ATOM 437 C ALA A 29 1.912 -7.552 -16.461 1.00 0.00 C ATOM 438 O ALA A 29 3.086 -7.273 -16.222 1.00 0.00 O ATOM 439 CB ALA A 29 0.594 -5.794 -17.622 1.00 0.00 C ATOM 0 H ALA A 29 2.237 -5.439 -15.200 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.103 -6.982 -15.972 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.293 -6.523 -18.375 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.191 -5.047 -17.506 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.516 -5.306 -17.938 1.00 0.00 H new ATOM 445 N GLU A 30 1.529 -8.741 -16.924 1.00 0.00 N ATOM 446 CA GLU A 30 2.422 -9.869 -17.158 1.00 0.00 C ATOM 447 C GLU A 30 3.571 -9.515 -18.111 1.00 0.00 C ATOM 448 O GLU A 30 4.636 -10.122 -18.038 1.00 0.00 O ATOM 449 CB GLU A 30 1.596 -11.051 -17.672 1.00 0.00 C ATOM 450 CG GLU A 30 0.589 -11.526 -16.612 1.00 0.00 C ATOM 451 CD GLU A 30 -0.543 -12.331 -17.237 1.00 0.00 C ATOM 452 OE1 GLU A 30 -0.242 -13.420 -17.770 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.689 -11.832 -17.175 1.00 0.00 O ATOM 0 H GLU A 30 0.557 -8.950 -17.153 1.00 0.00 H new ATOM 0 HA GLU A 30 2.899 -10.144 -16.217 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.065 -10.760 -18.578 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.260 -11.873 -17.941 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.103 -12.135 -15.868 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.177 -10.664 -16.088 1.00 0.00 H new ATOM 460 N TRP A 31 3.366 -8.533 -18.991 1.00 0.00 N ATOM 461 CA TRP A 31 4.360 -8.059 -19.947 1.00 0.00 C ATOM 462 C TRP A 31 5.161 -6.859 -19.416 1.00 0.00 C ATOM 463 O TRP A 31 6.127 -6.428 -20.046 1.00 0.00 O ATOM 464 CB TRP A 31 3.634 -7.696 -21.249 1.00 0.00 C ATOM 465 CG TRP A 31 2.469 -6.755 -21.115 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.170 -7.126 -21.037 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.468 -5.295 -21.039 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.371 -6.010 -20.927 1.00 0.00 N ATOM 469 CE2 TRP A 31 1.115 -4.849 -20.933 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.469 -4.299 -21.048 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.777 -3.490 -20.850 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.140 -2.935 -20.943 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.797 -2.529 -20.853 1.00 0.00 C ATOM 0 H TRP A 31 2.479 -8.034 -19.057 1.00 0.00 H new ATOM 0 HA TRP A 31 5.087 -8.852 -20.122 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.357 -7.252 -21.933 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.280 -8.617 -21.713 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.813 -8.145 -21.058 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.646 -6.039 -20.851 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.505 -4.589 -21.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.258 -3.188 -20.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.926 -2.194 -20.931 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.552 -1.479 -20.786 1.00 0.00 H new ATOM 484 N CYS A 32 4.776 -6.288 -18.272 1.00 0.00 N ATOM 485 CA CYS A 32 5.411 -5.087 -17.747 1.00 0.00 C ATOM 486 C CYS A 32 6.733 -5.376 -17.033 1.00 0.00 C ATOM 487 O CYS A 32 6.787 -5.476 -15.807 1.00 0.00 O ATOM 488 CB CYS A 32 4.446 -4.367 -16.814 1.00 0.00 C ATOM 489 SG CYS A 32 5.120 -2.833 -16.147 1.00 0.00 S ATOM 0 H CYS A 32 4.019 -6.646 -17.690 1.00 0.00 H new ATOM 0 HA CYS A 32 5.654 -4.448 -18.596 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.524 -4.148 -17.353 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.184 -5.030 -15.990 1.00 0.00 H new ATOM 494 N GLY A 33 7.818 -5.495 -17.802 1.00 0.00 N ATOM 495 CA GLY A 33 9.165 -5.704 -17.273 1.00 0.00 C ATOM 496 C GLY A 33 9.474 -4.791 -16.074 1.00 0.00 C ATOM 497 O GLY A 33 9.775 -5.285 -14.988 1.00 0.00 O ATOM 0 H GLY A 33 7.784 -5.448 -18.820 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.276 -6.745 -16.971 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.894 -5.522 -18.062 1.00 0.00 H new ATOM 501 N PRO A 34 9.391 -3.458 -16.235 1.00 0.00 N ATOM 502 CA PRO A 34 9.641 -2.507 -15.159 1.00 0.00 C ATOM 503 C PRO A 34 8.810 -2.786 -13.899 1.00 0.00 C ATOM 504 O PRO A 34 9.269 -2.544 -12.784 1.00 0.00 O ATOM 505 CB PRO A 34 9.321 -1.127 -15.742 1.00 0.00 C ATOM 506 CG PRO A 34 9.544 -1.319 -17.241 1.00 0.00 C ATOM 507 CD PRO A 34 9.069 -2.754 -17.466 1.00 0.00 C ATOM 0 HA PRO A 34 10.676 -2.582 -14.825 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.297 -0.825 -15.523 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.975 -0.356 -15.333 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.970 -0.605 -17.831 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.591 -1.191 -17.515 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.999 -2.787 -17.671 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.571 -3.206 -18.321 1.00 0.00 H new ATOM 515 N CYS A 35 7.592 -3.316 -14.055 1.00 0.00 N ATOM 516 CA CYS A 35 6.748 -3.631 -12.912 1.00 0.00 C ATOM 517 C CYS A 35 7.415 -4.746 -12.108 1.00 0.00 C ATOM 518 O CYS A 35 7.499 -4.674 -10.882 1.00 0.00 O ATOM 519 CB CYS A 35 5.325 -4.031 -13.307 1.00 0.00 C ATOM 520 SG CYS A 35 4.331 -2.823 -14.227 1.00 0.00 S ATOM 0 H CYS A 35 7.176 -3.533 -14.961 1.00 0.00 H new ATOM 0 HA CYS A 35 6.647 -2.728 -12.309 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.387 -4.940 -13.906 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.784 -4.286 -12.396 1.00 0.00 H new ATOM 525 N LYS A 36 7.930 -5.765 -12.804 1.00 0.00 N ATOM 526 CA LYS A 36 8.649 -6.850 -12.159 1.00 0.00 C ATOM 527 C LYS A 36 9.903 -6.278 -11.499 1.00 0.00 C ATOM 528 O LYS A 36 10.228 -6.650 -10.376 1.00 0.00 O ATOM 529 CB LYS A 36 9.020 -7.932 -13.173 1.00 0.00 C ATOM 530 CG LYS A 36 7.797 -8.461 -13.931 1.00 0.00 C ATOM 531 CD LYS A 36 8.295 -9.323 -15.091 1.00 0.00 C ATOM 532 CE LYS A 36 7.152 -9.758 -16.009 1.00 0.00 C ATOM 533 NZ LYS A 36 6.579 -8.612 -16.734 1.00 0.00 N ATOM 0 H LYS A 36 7.858 -5.854 -13.818 1.00 0.00 H new ATOM 0 HA LYS A 36 8.013 -7.312 -11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.740 -7.528 -13.885 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.511 -8.758 -12.657 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.161 -9.047 -13.267 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.193 -7.634 -14.303 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.032 -8.764 -15.668 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.800 -10.205 -14.697 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.518 -10.496 -16.723 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.374 -10.243 -15.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.953 -8.957 -17.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.033 -8.022 -16.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.346 -8.046 -17.151 1.00 0.00 H new ATOM 547 N MET A 37 10.595 -5.365 -12.188 1.00 0.00 N ATOM 548 CA MET A 37 11.788 -4.720 -11.658 1.00 0.00 C ATOM 549 C MET A 37 11.495 -4.058 -10.305 1.00 0.00 C ATOM 550 O MET A 37 12.262 -4.234 -9.363 1.00 0.00 O ATOM 551 CB MET A 37 12.346 -3.718 -12.679 1.00 0.00 C ATOM 552 CG MET A 37 13.748 -3.240 -12.293 1.00 0.00 C ATOM 553 SD MET A 37 14.502 -2.038 -13.421 1.00 0.00 S ATOM 554 CE MET A 37 13.395 -0.623 -13.212 1.00 0.00 C ATOM 0 H MET A 37 10.340 -5.057 -13.126 1.00 0.00 H new ATOM 0 HA MET A 37 12.552 -5.477 -11.484 1.00 0.00 H new ATOM 0 HB2 MET A 37 12.378 -4.182 -13.665 1.00 0.00 H new ATOM 0 HB3 MET A 37 11.676 -2.861 -12.752 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.701 -2.798 -11.298 1.00 0.00 H new ATOM 0 HG3 MET A 37 14.403 -4.109 -12.225 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.833 0.255 -13.686 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.433 -0.843 -13.674 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.251 -0.428 -12.149 1.00 0.00 H new ATOM 564 N ILE A 38 10.401 -3.290 -10.199 1.00 0.00 N ATOM 565 CA ILE A 38 10.063 -2.635 -8.934 1.00 0.00 C ATOM 566 C ILE A 38 9.457 -3.607 -7.911 1.00 0.00 C ATOM 567 O ILE A 38 9.577 -3.360 -6.714 1.00 0.00 O ATOM 568 CB ILE A 38 9.216 -1.363 -9.126 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.810 -1.674 -9.654 1.00 0.00 C ATOM 570 CG2 ILE A 38 9.955 -0.366 -10.033 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.902 -0.442 -9.716 1.00 0.00 C ATOM 0 H ILE A 38 9.747 -3.111 -10.961 1.00 0.00 H new ATOM 0 HA ILE A 38 11.008 -2.298 -8.507 1.00 0.00 H new ATOM 0 HB ILE A 38 9.078 -0.904 -8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.891 -2.108 -10.651 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.347 -2.426 -9.015 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.346 0.529 -10.161 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.907 -0.095 -9.576 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.136 -0.824 -11.005 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.923 -0.731 -10.098 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.792 -0.020 -8.717 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.344 0.303 -10.378 1.00 0.00 H new ATOM 583 N ALA A 39 8.803 -4.695 -8.341 1.00 0.00 N ATOM 584 CA ALA A 39 8.182 -5.682 -7.449 1.00 0.00 C ATOM 585 C ALA A 39 8.944 -5.964 -6.137 1.00 0.00 C ATOM 586 O ALA A 39 8.354 -5.782 -5.074 1.00 0.00 O ATOM 587 CB ALA A 39 7.836 -6.970 -8.203 1.00 0.00 C ATOM 0 H ALA A 39 8.689 -4.916 -9.330 1.00 0.00 H new ATOM 0 HA ALA A 39 7.257 -5.212 -7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.378 -7.682 -7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.139 -6.743 -9.009 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.745 -7.403 -8.620 1.00 0.00 H new ATOM 593 N PRO A 40 10.227 -6.379 -6.147 1.00 0.00 N ATOM 594 CA PRO A 40 10.978 -6.614 -4.917 1.00 0.00 C ATOM 595 C PRO A 40 11.029 -5.365 -4.029 1.00 0.00 C ATOM 596 O PRO A 40 10.944 -5.477 -2.806 1.00 0.00 O ATOM 597 CB PRO A 40 12.377 -7.069 -5.351 1.00 0.00 C ATOM 598 CG PRO A 40 12.506 -6.540 -6.777 1.00 0.00 C ATOM 599 CD PRO A 40 11.075 -6.643 -7.298 1.00 0.00 C ATOM 0 HA PRO A 40 10.495 -7.375 -4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.150 -6.660 -4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.473 -8.154 -5.317 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.872 -5.514 -6.798 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.198 -7.137 -7.370 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.893 -5.921 -8.094 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.878 -7.631 -7.713 1.00 0.00 H new ATOM 607 N ILE A 41 11.115 -4.172 -4.627 1.00 0.00 N ATOM 608 CA ILE A 41 11.088 -2.928 -3.873 1.00 0.00 C ATOM 609 C ILE A 41 9.710 -2.829 -3.222 1.00 0.00 C ATOM 610 O ILE A 41 9.617 -2.607 -2.018 1.00 0.00 O ATOM 611 CB ILE A 41 11.394 -1.699 -4.756 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.667 -1.897 -5.603 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.546 -0.461 -3.860 1.00 0.00 C ATOM 614 CD1 ILE A 41 12.935 -0.721 -6.548 1.00 0.00 C ATOM 0 H ILE A 41 11.204 -4.049 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 41 11.871 -2.935 -3.115 1.00 0.00 H new ATOM 0 HB ILE A 41 10.563 -1.564 -5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.523 -2.028 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.572 -2.813 -6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.762 0.411 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.620 -0.295 -3.309 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.363 -0.619 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.843 -0.913 -7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.094 -0.604 -7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.059 0.192 -5.966 1.00 0.00 H new ATOM 626 N LEU A 42 8.638 -3.029 -3.997 1.00 0.00 N ATOM 627 CA LEU A 42 7.280 -3.001 -3.460 1.00 0.00 C ATOM 628 C LEU A 42 7.146 -3.981 -2.291 1.00 0.00 C ATOM 629 O LEU A 42 6.537 -3.645 -1.279 1.00 0.00 O ATOM 630 CB LEU A 42 6.220 -3.286 -4.535 1.00 0.00 C ATOM 631 CG LEU A 42 6.271 -2.357 -5.757 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.154 -2.738 -6.729 1.00 0.00 C ATOM 633 CD2 LEU A 42 6.114 -0.883 -5.366 1.00 0.00 C ATOM 0 H LEU A 42 8.689 -3.212 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 42 7.098 -1.990 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.336 -4.315 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.233 -3.210 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 42 7.248 -2.478 -6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.187 -2.080 -7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.288 -3.771 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.189 -2.635 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.156 -0.263 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.155 -0.739 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.920 -0.598 -4.689 1.00 0.00 H new ATOM 645 N ASP A 43 7.718 -5.184 -2.409 1.00 0.00 N ATOM 646 CA ASP A 43 7.682 -6.172 -1.333 1.00 0.00 C ATOM 647 C ASP A 43 8.400 -5.613 -0.102 1.00 0.00 C ATOM 648 O ASP A 43 7.847 -5.597 0.996 1.00 0.00 O ATOM 649 CB ASP A 43 8.304 -7.501 -1.780 1.00 0.00 C ATOM 650 CG ASP A 43 7.546 -8.168 -2.924 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.307 -8.279 -2.802 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.219 -8.579 -3.894 1.00 0.00 O ATOM 0 H ASP A 43 8.213 -5.495 -3.245 1.00 0.00 H new ATOM 0 HA ASP A 43 6.643 -6.374 -1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.334 -7.326 -2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.338 -8.182 -0.930 1.00 0.00 H new ATOM 657 N GLU A 44 9.630 -5.123 -0.281 1.00 0.00 N ATOM 658 CA GLU A 44 10.402 -4.530 0.805 1.00 0.00 C ATOM 659 C GLU A 44 9.574 -3.445 1.500 1.00 0.00 C ATOM 660 O GLU A 44 9.474 -3.428 2.725 1.00 0.00 O ATOM 661 CB GLU A 44 11.734 -3.997 0.255 1.00 0.00 C ATOM 662 CG GLU A 44 12.759 -3.658 1.352 1.00 0.00 C ATOM 663 CD GLU A 44 12.445 -2.389 2.147 1.00 0.00 C ATOM 664 OE1 GLU A 44 11.828 -1.473 1.561 1.00 0.00 O ATOM 665 OE2 GLU A 44 12.864 -2.345 3.324 1.00 0.00 O ATOM 0 H GLU A 44 10.113 -5.128 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 44 10.638 -5.282 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.164 -4.740 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.541 -3.104 -0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.822 -4.498 2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.741 -3.549 0.892 1.00 0.00 H new ATOM 672 N ILE A 45 8.966 -2.554 0.714 1.00 0.00 N ATOM 673 CA ILE A 45 8.112 -1.492 1.220 1.00 0.00 C ATOM 674 C ILE A 45 6.948 -2.104 2.001 1.00 0.00 C ATOM 675 O ILE A 45 6.676 -1.677 3.117 1.00 0.00 O ATOM 676 CB ILE A 45 7.636 -0.603 0.059 1.00 0.00 C ATOM 677 CG1 ILE A 45 8.784 0.199 -0.580 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.485 0.327 0.459 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.419 1.276 0.302 1.00 0.00 C ATOM 0 H ILE A 45 9.058 -2.555 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 45 8.670 -0.853 1.905 1.00 0.00 H new ATOM 0 HB ILE A 45 7.254 -1.292 -0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.563 -0.499 -0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.409 0.674 -1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.190 0.931 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.635 -0.269 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.810 0.981 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.215 1.776 -0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.661 2.006 0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.834 0.814 1.198 1.00 0.00 H new ATOM 691 N ALA A 46 6.266 -3.102 1.434 1.00 0.00 N ATOM 692 CA ALA A 46 5.152 -3.778 2.086 1.00 0.00 C ATOM 693 C ALA A 46 5.572 -4.262 3.471 1.00 0.00 C ATOM 694 O ALA A 46 4.831 -4.104 4.437 1.00 0.00 O ATOM 695 CB ALA A 46 4.649 -4.942 1.223 1.00 0.00 C ATOM 0 H ALA A 46 6.476 -3.463 0.503 1.00 0.00 H new ATOM 0 HA ALA A 46 4.330 -3.072 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.817 -5.435 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.315 -4.562 0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.457 -5.658 1.071 1.00 0.00 H new ATOM 701 N ASP A 47 6.776 -4.834 3.565 1.00 0.00 N ATOM 702 CA ASP A 47 7.311 -5.302 4.830 1.00 0.00 C ATOM 703 C ASP A 47 7.594 -4.123 5.770 1.00 0.00 C ATOM 704 O ASP A 47 7.012 -4.031 6.849 1.00 0.00 O ATOM 705 CB ASP A 47 8.558 -6.153 4.566 1.00 0.00 C ATOM 706 CG ASP A 47 9.045 -6.863 5.824 1.00 0.00 C ATOM 707 OD1 ASP A 47 9.597 -6.164 6.699 1.00 0.00 O ATOM 708 OD2 ASP A 47 8.862 -8.099 5.880 1.00 0.00 O ATOM 0 H ASP A 47 7.396 -4.981 2.769 1.00 0.00 H new ATOM 0 HA ASP A 47 6.575 -5.928 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.336 -6.892 3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.354 -5.518 4.178 1.00 0.00 H new ATOM 713 N GLU A 48 8.495 -3.222 5.364 1.00 0.00 N ATOM 714 CA GLU A 48 8.936 -2.087 6.167 1.00 0.00 C ATOM 715 C GLU A 48 7.764 -1.243 6.678 1.00 0.00 C ATOM 716 O GLU A 48 7.702 -0.902 7.857 1.00 0.00 O ATOM 717 CB GLU A 48 9.949 -1.248 5.363 1.00 0.00 C ATOM 718 CG GLU A 48 10.892 -0.408 6.242 1.00 0.00 C ATOM 719 CD GLU A 48 10.203 0.720 7.009 1.00 0.00 C ATOM 720 OE1 GLU A 48 9.394 1.434 6.376 1.00 0.00 O ATOM 721 OE2 GLU A 48 10.515 0.862 8.210 1.00 0.00 O ATOM 0 H GLU A 48 8.944 -3.266 4.449 1.00 0.00 H new ATOM 0 HA GLU A 48 9.432 -2.470 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.545 -1.914 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.405 -0.584 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.387 -1.067 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.671 0.021 5.611 1.00 0.00 H new ATOM 728 N TYR A 49 6.842 -0.897 5.783 1.00 0.00 N ATOM 729 CA TYR A 49 5.690 -0.062 6.090 1.00 0.00 C ATOM 730 C TYR A 49 4.489 -0.884 6.570 1.00 0.00 C ATOM 731 O TYR A 49 3.387 -0.336 6.637 1.00 0.00 O ATOM 732 CB TYR A 49 5.323 0.819 4.882 1.00 0.00 C ATOM 733 CG TYR A 49 6.334 1.887 4.496 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.548 1.528 3.889 1.00 0.00 C ATOM 735 CD2 TYR A 49 6.032 3.251 4.673 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.490 2.509 3.541 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.943 4.242 4.263 1.00 0.00 C ATOM 738 CZ TYR A 49 8.181 3.869 3.708 1.00 0.00 C ATOM 739 OH TYR A 49 9.071 4.818 3.300 1.00 0.00 O ATOM 0 H TYR A 49 6.878 -1.196 4.808 1.00 0.00 H new ATOM 0 HA TYR A 49 5.970 0.590 6.917 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.165 0.170 4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.372 1.308 5.091 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.759 0.488 3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.095 3.538 5.126 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.452 2.218 3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.692 5.287 4.374 1.00 0.00 H new ATOM 0 HH TYR A 49 8.707 5.709 3.485 1.00 0.00 H new ATOM 749 N GLN A 50 4.655 -2.166 6.923 1.00 0.00 N ATOM 750 CA GLN A 50 3.550 -2.982 7.401 1.00 0.00 C ATOM 751 C GLN A 50 2.878 -2.295 8.593 1.00 0.00 C ATOM 752 O GLN A 50 3.506 -2.098 9.630 1.00 0.00 O ATOM 753 CB GLN A 50 4.072 -4.379 7.770 1.00 0.00 C ATOM 754 CG GLN A 50 3.003 -5.293 8.377 1.00 0.00 C ATOM 755 CD GLN A 50 1.787 -5.462 7.469 1.00 0.00 C ATOM 756 OE1 GLN A 50 1.829 -6.208 6.498 1.00 0.00 O ATOM 757 NE2 GLN A 50 0.688 -4.779 7.775 1.00 0.00 N ATOM 0 H GLN A 50 5.550 -2.654 6.883 1.00 0.00 H new ATOM 0 HA GLN A 50 2.800 -3.096 6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.479 -4.853 6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.894 -4.275 8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.439 -6.271 8.579 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.682 -4.883 9.335 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.680 -4.165 8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.147 -4.870 7.196 1.00 0.00 H new ATOM 766 N GLY A 51 1.606 -1.919 8.438 1.00 0.00 N ATOM 767 CA GLY A 51 0.831 -1.235 9.467 1.00 0.00 C ATOM 768 C GLY A 51 0.625 0.239 9.128 1.00 0.00 C ATOM 769 O GLY A 51 -0.369 0.827 9.546 1.00 0.00 O ATOM 0 H GLY A 51 1.081 -2.085 7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.138 -1.722 9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.343 -1.320 10.426 1.00 0.00 H new ATOM 773 N LYS A 52 1.538 0.833 8.354 1.00 0.00 N ATOM 774 CA LYS A 52 1.452 2.222 7.924 1.00 0.00 C ATOM 775 C LYS A 52 0.901 2.289 6.501 1.00 0.00 C ATOM 776 O LYS A 52 0.074 3.147 6.201 1.00 0.00 O ATOM 777 CB LYS A 52 2.835 2.886 7.972 1.00 0.00 C ATOM 778 CG LYS A 52 3.456 2.839 9.374 1.00 0.00 C ATOM 779 CD LYS A 52 4.513 3.939 9.556 1.00 0.00 C ATOM 780 CE LYS A 52 5.657 3.888 8.535 1.00 0.00 C ATOM 781 NZ LYS A 52 6.433 2.640 8.642 1.00 0.00 N ATOM 0 H LYS A 52 2.367 0.351 8.006 1.00 0.00 H new ATOM 0 HA LYS A 52 0.783 2.755 8.600 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.499 2.388 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.749 3.924 7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.674 2.956 10.124 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.912 1.863 9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.025 4.911 9.489 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.933 3.862 10.559 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.249 3.977 7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.318 4.741 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.096 2.574 7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.966 2.638 9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.786 1.826 8.623 1.00 0.00 H new ATOM 795 N LEU A 53 1.367 1.391 5.628 1.00 0.00 N ATOM 796 CA LEU A 53 0.971 1.325 4.230 1.00 0.00 C ATOM 797 C LEU A 53 0.548 -0.098 3.875 1.00 0.00 C ATOM 798 O LEU A 53 1.160 -1.064 4.327 1.00 0.00 O ATOM 799 CB LEU A 53 2.164 1.744 3.365 1.00 0.00 C ATOM 800 CG LEU A 53 1.811 2.009 1.896 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.074 3.345 1.747 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.116 2.047 1.099 1.00 0.00 C ATOM 0 H LEU A 53 2.046 0.675 5.886 1.00 0.00 H new ATOM 0 HA LEU A 53 0.128 1.993 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.608 2.645 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.923 0.963 3.410 1.00 0.00 H new ATOM 0 HG LEU A 53 1.155 1.221 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.833 3.513 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.154 3.320 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.710 4.154 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.895 2.234 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.754 2.843 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.630 1.091 1.197 1.00 0.00 H new ATOM 814 N THR A 54 -0.494 -0.210 3.055 1.00 0.00 N ATOM 815 CA THR A 54 -1.060 -1.459 2.576 1.00 0.00 C ATOM 816 C THR A 54 -0.693 -1.568 1.090 1.00 0.00 C ATOM 817 O THR A 54 -1.359 -0.976 0.241 1.00 0.00 O ATOM 818 CB THR A 54 -2.578 -1.397 2.818 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.857 -0.831 4.082 1.00 0.00 O ATOM 820 CG2 THR A 54 -3.282 -2.741 2.681 1.00 0.00 C ATOM 0 H THR A 54 -0.986 0.607 2.693 1.00 0.00 H new ATOM 0 HA THR A 54 -0.679 -2.342 3.089 1.00 0.00 H new ATOM 0 HB THR A 54 -2.977 -0.760 2.028 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.788 0.145 4.026 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.349 -2.614 2.866 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.133 -3.129 1.673 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.869 -3.443 3.405 1.00 0.00 H new ATOM 828 N VAL A 55 0.377 -2.290 0.750 1.00 0.00 N ATOM 829 CA VAL A 55 0.793 -2.389 -0.640 1.00 0.00 C ATOM 830 C VAL A 55 -0.106 -3.404 -1.345 1.00 0.00 C ATOM 831 O VAL A 55 -0.415 -4.470 -0.807 1.00 0.00 O ATOM 832 CB VAL A 55 2.280 -2.760 -0.732 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.746 -2.874 -2.190 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.154 -1.694 -0.063 1.00 0.00 C ATOM 0 H VAL A 55 0.959 -2.805 1.410 1.00 0.00 H new ATOM 0 HA VAL A 55 0.685 -1.426 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 55 2.385 -3.720 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.803 -3.138 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.168 -3.646 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.599 -1.919 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.203 -1.981 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.002 -0.735 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.880 -1.606 0.988 1.00 0.00 H new ATOM 844 N ALA A 56 -0.544 -3.062 -2.553 1.00 0.00 N ATOM 845 CA ALA A 56 -1.417 -3.885 -3.357 1.00 0.00 C ATOM 846 C ALA A 56 -0.938 -3.861 -4.805 1.00 0.00 C ATOM 847 O ALA A 56 -0.243 -2.938 -5.222 1.00 0.00 O ATOM 848 CB ALA A 56 -2.849 -3.372 -3.217 1.00 0.00 C ATOM 0 H ALA A 56 -0.291 -2.182 -3.003 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.396 -4.921 -3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.516 -3.987 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.154 -3.424 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.900 -2.338 -3.559 1.00 0.00 H new ATOM 854 N LYS A 57 -1.311 -4.883 -5.567 1.00 0.00 N ATOM 855 CA LYS A 57 -0.995 -5.038 -6.972 1.00 0.00 C ATOM 856 C LYS A 57 -2.267 -5.404 -7.723 1.00 0.00 C ATOM 857 O LYS A 57 -3.113 -6.118 -7.186 1.00 0.00 O ATOM 858 CB LYS A 57 0.040 -6.150 -7.153 1.00 0.00 C ATOM 859 CG LYS A 57 1.487 -5.661 -7.121 1.00 0.00 C ATOM 860 CD LYS A 57 2.383 -6.899 -7.275 1.00 0.00 C ATOM 861 CE LYS A 57 3.867 -6.585 -7.423 1.00 0.00 C ATOM 862 NZ LYS A 57 4.153 -5.769 -8.616 1.00 0.00 N ATOM 0 H LYS A 57 -1.866 -5.657 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.586 -4.105 -7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.099 -6.894 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.143 -6.652 -8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.671 -4.949 -7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.699 -5.145 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.245 -7.543 -6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.055 -7.465 -8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.214 -6.058 -6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.429 -7.517 -7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.182 -5.668 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.756 -6.234 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.723 -4.829 -8.505 1.00 0.00 H new ATOM 876 N LEU A 58 -2.383 -4.942 -8.969 1.00 0.00 N ATOM 877 CA LEU A 58 -3.510 -5.264 -9.830 1.00 0.00 C ATOM 878 C LEU A 58 -2.994 -5.540 -11.239 1.00 0.00 C ATOM 879 O LEU A 58 -2.299 -4.702 -11.813 1.00 0.00 O ATOM 880 CB LEU A 58 -4.537 -4.129 -9.777 1.00 0.00 C ATOM 881 CG LEU A 58 -5.791 -4.449 -10.612 1.00 0.00 C ATOM 882 CD1 LEU A 58 -7.016 -3.863 -9.915 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.691 -3.825 -12.010 1.00 0.00 C ATOM 0 H LEU A 58 -1.692 -4.332 -9.406 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.020 -6.165 -9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.826 -3.950 -8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.081 -3.210 -10.144 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.874 -5.532 -10.707 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.908 -4.085 -10.500 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.114 -4.302 -8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.901 -2.783 -9.824 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.588 -4.065 -12.581 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.597 -2.743 -11.920 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.817 -4.223 -12.525 1.00 0.00 H new ATOM 895 N ASN A 59 -3.329 -6.713 -11.785 1.00 0.00 N ATOM 896 CA ASN A 59 -2.929 -7.104 -13.131 1.00 0.00 C ATOM 897 C ASN A 59 -3.964 -6.578 -14.126 1.00 0.00 C ATOM 898 O ASN A 59 -5.084 -7.100 -14.181 1.00 0.00 O ATOM 899 CB ASN A 59 -2.787 -8.626 -13.244 1.00 0.00 C ATOM 900 CG ASN A 59 -2.407 -9.051 -14.663 1.00 0.00 C ATOM 901 OD1 ASN A 59 -2.180 -8.227 -15.543 1.00 0.00 O ATOM 902 ND2 ASN A 59 -2.372 -10.352 -14.913 1.00 0.00 N ATOM 0 H ASN A 59 -3.887 -7.417 -11.301 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.954 -6.672 -13.357 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.028 -8.974 -12.543 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.726 -9.102 -12.960 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.153 -10.685 -15.852 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.564 -11.020 -14.167 1.00 0.00 H new ATOM 909 N ILE A 60 -3.597 -5.564 -14.912 1.00 0.00 N ATOM 910 CA ILE A 60 -4.493 -4.977 -15.900 1.00 0.00 C ATOM 911 C ILE A 60 -4.849 -5.958 -17.019 1.00 0.00 C ATOM 912 O ILE A 60 -5.891 -5.803 -17.645 1.00 0.00 O ATOM 913 CB ILE A 60 -3.960 -3.649 -16.467 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.642 -3.820 -17.238 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.812 -2.616 -15.342 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.394 -2.693 -18.242 1.00 0.00 C ATOM 0 H ILE A 60 -2.674 -5.131 -14.879 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.415 -4.748 -15.366 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.692 -3.287 -17.189 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.814 -3.859 -16.530 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.655 -4.774 -17.765 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.434 -1.680 -15.754 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.783 -2.442 -14.878 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.114 -2.991 -14.594 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.449 -2.866 -18.757 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.205 -2.669 -18.970 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.351 -1.740 -17.715 1.00 0.00 H new ATOM 928 N ASP A 61 -4.022 -6.978 -17.279 1.00 0.00 N ATOM 929 CA ASP A 61 -4.339 -7.948 -18.325 1.00 0.00 C ATOM 930 C ASP A 61 -5.638 -8.663 -17.956 1.00 0.00 C ATOM 931 O ASP A 61 -6.531 -8.828 -18.782 1.00 0.00 O ATOM 932 CB ASP A 61 -3.216 -8.976 -18.500 1.00 0.00 C ATOM 933 CG ASP A 61 -1.876 -8.359 -18.888 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.880 -7.441 -19.740 1.00 0.00 O ATOM 935 OD2 ASP A 61 -0.858 -8.821 -18.326 1.00 0.00 O ATOM 0 H ASP A 61 -3.145 -7.149 -16.788 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.451 -7.416 -19.270 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.095 -9.531 -17.570 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.510 -9.696 -19.264 1.00 0.00 H new ATOM 940 N GLN A 62 -5.730 -9.072 -16.689 1.00 0.00 N ATOM 941 CA GLN A 62 -6.904 -9.732 -16.149 1.00 0.00 C ATOM 942 C GLN A 62 -8.006 -8.710 -15.865 1.00 0.00 C ATOM 943 O GLN A 62 -9.187 -9.023 -15.991 1.00 0.00 O ATOM 944 CB GLN A 62 -6.521 -10.476 -14.864 1.00 0.00 C ATOM 945 CG GLN A 62 -5.580 -11.655 -15.136 1.00 0.00 C ATOM 946 CD GLN A 62 -5.085 -12.265 -13.827 1.00 0.00 C ATOM 947 OE1 GLN A 62 -3.945 -12.047 -13.423 1.00 0.00 O ATOM 948 NE2 GLN A 62 -5.937 -13.020 -13.143 1.00 0.00 N ATOM 0 H GLN A 62 -4.980 -8.950 -16.008 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.283 -10.447 -16.879 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.041 -9.782 -14.174 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.424 -10.840 -14.374 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.099 -12.413 -15.723 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.730 -11.319 -15.730 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.877 -13.183 -13.504 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.651 -13.437 -12.257 1.00 0.00 H new ATOM 957 N ASN A 63 -7.620 -7.504 -15.436 1.00 0.00 N ATOM 958 CA ASN A 63 -8.544 -6.450 -15.021 1.00 0.00 C ATOM 959 C ASN A 63 -8.333 -5.166 -15.832 1.00 0.00 C ATOM 960 O ASN A 63 -7.867 -4.170 -15.281 1.00 0.00 O ATOM 961 CB ASN A 63 -8.326 -6.165 -13.530 1.00 0.00 C ATOM 962 CG ASN A 63 -8.384 -7.415 -12.667 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.443 -7.783 -12.164 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.238 -8.068 -12.481 1.00 0.00 N ATOM 0 H ASN A 63 -6.640 -7.231 -15.367 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.565 -6.788 -15.199 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.357 -5.684 -13.397 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.082 -5.459 -13.187 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.218 -8.908 -11.902 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.381 -7.728 -12.917 1.00 0.00 H new ATOM 971 N PRO A 64 -8.665 -5.152 -17.130 1.00 0.00 N ATOM 972 CA PRO A 64 -8.446 -3.988 -17.970 1.00 0.00 C ATOM 973 C PRO A 64 -9.224 -2.767 -17.479 1.00 0.00 C ATOM 974 O PRO A 64 -8.628 -1.721 -17.235 1.00 0.00 O ATOM 975 CB PRO A 64 -8.833 -4.419 -19.390 1.00 0.00 C ATOM 976 CG PRO A 64 -9.753 -5.624 -19.187 1.00 0.00 C ATOM 977 CD PRO A 64 -9.223 -6.253 -17.898 1.00 0.00 C ATOM 0 HA PRO A 64 -7.406 -3.664 -17.940 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -9.342 -3.616 -19.924 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.954 -4.685 -19.977 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.796 -5.323 -19.089 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.699 -6.318 -20.026 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.021 -6.751 -17.347 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.465 -7.006 -18.112 1.00 0.00 H new ATOM 985 N GLY A 65 -10.547 -2.904 -17.341 1.00 0.00 N ATOM 986 CA GLY A 65 -11.479 -1.849 -16.948 1.00 0.00 C ATOM 987 C GLY A 65 -10.977 -0.938 -15.824 1.00 0.00 C ATOM 988 O GLY A 65 -11.179 0.277 -15.864 1.00 0.00 O ATOM 0 H GLY A 65 -11.015 -3.794 -17.508 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.702 -1.236 -17.821 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.416 -2.309 -16.633 1.00 0.00 H new ATOM 992 N THR A 66 -10.324 -1.515 -14.814 1.00 0.00 N ATOM 993 CA THR A 66 -9.817 -0.766 -13.684 1.00 0.00 C ATOM 994 C THR A 66 -8.848 0.345 -14.104 1.00 0.00 C ATOM 995 O THR A 66 -8.836 1.405 -13.482 1.00 0.00 O ATOM 996 CB THR A 66 -9.210 -1.741 -12.668 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.914 -2.967 -12.721 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.329 -1.177 -11.248 1.00 0.00 C ATOM 0 H THR A 66 -10.136 -2.516 -14.765 1.00 0.00 H new ATOM 0 HA THR A 66 -10.645 -0.243 -13.205 1.00 0.00 H new ATOM 0 HB THR A 66 -8.158 -1.890 -12.913 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.860 -2.810 -12.518 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.893 -1.881 -10.539 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.798 -0.227 -11.188 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.380 -1.021 -11.005 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.059 0.141 -15.163 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.140 1.176 -15.621 1.00 0.00 C ATOM 1008 C ALA A 67 -7.918 2.410 -16.118 1.00 0.00 C ATOM 1009 O ALA A 67 -7.819 3.458 -15.474 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.069 0.620 -16.567 1.00 0.00 C ATOM 0 H ALA A 67 -8.040 -0.720 -15.710 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.552 1.542 -14.779 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.408 1.427 -16.882 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.488 -0.144 -16.050 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.549 0.181 -17.442 1.00 0.00 H new ATOM 1016 N PRO A 68 -8.712 2.333 -17.203 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.554 3.438 -17.645 1.00 0.00 C ATOM 1018 C PRO A 68 -10.373 4.052 -16.506 1.00 0.00 C ATOM 1019 O PRO A 68 -10.453 5.276 -16.428 1.00 0.00 O ATOM 1020 CB PRO A 68 -10.467 2.867 -18.733 1.00 0.00 C ATOM 1021 CG PRO A 68 -9.611 1.757 -19.331 1.00 0.00 C ATOM 1022 CD PRO A 68 -8.895 1.203 -18.101 1.00 0.00 C ATOM 0 HA PRO A 68 -8.936 4.253 -18.021 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.400 2.483 -18.320 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.733 3.619 -19.476 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.217 0.998 -19.826 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.910 2.139 -20.073 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.484 0.418 -17.626 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.936 0.761 -18.373 1.00 0.00 H new ATOM 1030 N LYS A 69 -10.971 3.236 -15.622 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.753 3.755 -14.497 1.00 0.00 C ATOM 1032 C LYS A 69 -10.989 4.828 -13.712 1.00 0.00 C ATOM 1033 O LYS A 69 -11.577 5.846 -13.352 1.00 0.00 O ATOM 1034 CB LYS A 69 -12.203 2.632 -13.552 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.400 1.860 -14.120 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.764 0.603 -13.310 1.00 0.00 C ATOM 1037 CE LYS A 69 -14.280 0.890 -11.892 1.00 0.00 C ATOM 1038 NZ LYS A 69 -13.188 1.044 -10.914 1.00 0.00 N ATOM 0 H LYS A 69 -10.926 2.218 -15.668 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.640 4.218 -14.929 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.374 1.945 -13.382 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.469 3.056 -12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.265 2.522 -14.155 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.179 1.569 -15.147 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.524 0.043 -13.854 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.885 -0.037 -13.241 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.882 1.798 -11.905 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.935 0.078 -11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.446 0.566 -10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.318 0.620 -11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.028 2.055 -10.729 1.00 0.00 H new ATOM 1130 N ILE A 75 1.574 1.792 -17.373 1.00 0.00 N ATOM 1131 CA ILE A 75 2.048 1.150 -16.152 1.00 0.00 C ATOM 1132 C ILE A 75 3.582 1.065 -16.214 1.00 0.00 C ATOM 1133 O ILE A 75 4.121 1.139 -17.319 1.00 0.00 O ATOM 1134 CB ILE A 75 1.403 -0.247 -16.036 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.566 -1.050 -17.338 1.00 0.00 C ATOM 1136 CG2 ILE A 75 -0.079 -0.121 -15.648 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.194 -2.515 -17.144 1.00 0.00 C ATOM 0 HA ILE A 75 1.767 1.723 -15.268 1.00 0.00 H new ATOM 0 HB ILE A 75 1.921 -0.795 -15.249 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.938 -0.615 -18.116 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.597 -0.979 -17.683 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.520 -1.115 -15.570 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.162 0.389 -14.688 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.607 0.452 -16.410 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.322 -3.050 -18.085 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.839 -2.957 -16.385 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.155 -2.587 -16.824 1.00 0.00 H new ATOM 1149 N PRO A 76 4.309 0.910 -15.090 1.00 0.00 N ATOM 1150 CA PRO A 76 3.818 0.822 -13.719 1.00 0.00 C ATOM 1151 C PRO A 76 3.221 2.156 -13.284 1.00 0.00 C ATOM 1152 O PRO A 76 3.754 3.207 -13.631 1.00 0.00 O ATOM 1153 CB PRO A 76 5.041 0.487 -12.854 1.00 0.00 C ATOM 1154 CG PRO A 76 6.214 1.031 -13.666 1.00 0.00 C ATOM 1155 CD PRO A 76 5.760 0.835 -15.110 1.00 0.00 C ATOM 0 HA PRO A 76 3.037 0.067 -13.623 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.980 0.958 -11.873 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.132 -0.586 -12.687 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.405 2.081 -13.443 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.135 0.487 -13.456 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.181 1.603 -15.759 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.095 -0.127 -15.497 1.00 0.00 H new ATOM 1163 N THR A 77 2.123 2.102 -12.532 1.00 0.00 N ATOM 1164 CA THR A 77 1.446 3.281 -12.015 1.00 0.00 C ATOM 1165 C THR A 77 0.988 2.937 -10.599 1.00 0.00 C ATOM 1166 O THR A 77 0.344 1.905 -10.402 1.00 0.00 O ATOM 1167 CB THR A 77 0.317 3.699 -12.966 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.883 4.114 -14.191 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.473 4.879 -12.407 1.00 0.00 C ATOM 0 H THR A 77 1.676 1.225 -12.264 1.00 0.00 H new ATOM 0 HA THR A 77 2.098 4.153 -11.960 1.00 0.00 H new ATOM 0 HB THR A 77 -0.348 2.845 -13.093 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.169 4.382 -14.807 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.265 5.150 -13.105 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.913 4.601 -11.449 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.194 5.730 -12.267 1.00 0.00 H new ATOM 1177 N LEU A 78 1.373 3.767 -9.625 1.00 0.00 N ATOM 1178 CA LEU A 78 1.150 3.555 -8.205 1.00 0.00 C ATOM 1179 C LEU A 78 0.089 4.534 -7.703 1.00 0.00 C ATOM 1180 O LEU A 78 0.380 5.723 -7.575 1.00 0.00 O ATOM 1181 CB LEU A 78 2.478 3.763 -7.450 1.00 0.00 C ATOM 1182 CG LEU A 78 3.711 3.083 -8.069 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.938 3.363 -7.193 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.524 1.570 -8.192 1.00 0.00 C ATOM 0 H LEU A 78 1.868 4.638 -9.820 1.00 0.00 H new ATOM 0 HA LEU A 78 0.796 2.539 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.672 4.833 -7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.357 3.396 -6.431 1.00 0.00 H new ATOM 0 HG LEU A 78 3.850 3.491 -9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.814 2.882 -7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.106 4.438 -7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.768 2.968 -6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.417 1.128 -8.634 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.358 1.142 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.663 1.360 -8.827 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.124 4.055 -7.410 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.202 4.890 -6.882 1.00 0.00 C ATOM 1198 C LEU A 79 -2.209 4.764 -5.361 1.00 0.00 C ATOM 1199 O LEU A 79 -2.469 3.680 -4.839 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.569 4.464 -7.433 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.941 5.121 -8.768 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.949 4.780 -9.874 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.361 4.732 -9.181 1.00 0.00 C ATOM 0 H LEU A 79 -1.384 3.076 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.027 5.921 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.576 3.381 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.336 4.704 -6.697 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.899 6.200 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.254 5.268 -10.800 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.955 5.128 -9.591 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.927 3.700 -10.023 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.607 5.208 -10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.424 3.649 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.065 5.061 -8.417 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.944 5.868 -4.659 1.00 0.00 N ATOM 1216 CA LEU A 80 -1.946 5.920 -3.207 1.00 0.00 C ATOM 1217 C LEU A 80 -3.333 6.370 -2.748 1.00 0.00 C ATOM 1218 O LEU A 80 -3.641 7.561 -2.771 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.803 6.832 -2.737 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.619 6.946 -1.212 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -1.033 5.705 -0.410 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.866 7.199 -0.937 1.00 0.00 C ATOM 0 H LEU A 80 -1.719 6.762 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.761 4.945 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.129 6.467 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.972 7.831 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.273 7.755 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.865 5.885 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.089 5.497 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.439 4.849 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.028 7.284 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.455 6.369 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.174 8.124 -1.425 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.163 5.412 -2.334 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.514 5.628 -1.841 1.00 0.00 C ATOM 1236 C PHE A 81 -5.471 5.766 -0.322 1.00 0.00 C ATOM 1237 O PHE A 81 -5.216 4.782 0.370 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.415 4.441 -2.205 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.796 4.328 -3.670 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.963 3.637 -4.567 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.061 4.770 -4.098 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.403 3.376 -5.877 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.506 4.498 -5.404 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.662 3.832 -6.304 1.00 0.00 C ATOM 0 H PHE A 81 -3.897 4.427 -2.335 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.916 6.533 -2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.911 3.521 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.329 4.508 -1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.985 3.306 -4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.695 5.322 -3.419 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.772 2.823 -6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.495 4.801 -5.713 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.979 3.670 -7.324 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.589 7.402 -0.886 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.471 8.583 -1.732 1.00 0.00 C ATOM 1299 C GLU A 85 -8.072 8.634 -2.344 1.00 0.00 C ATOM 1300 O GLU A 85 -7.084 8.602 -1.611 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.728 9.843 -0.893 1.00 0.00 C ATOM 1302 CG GLU A 85 -11.119 9.830 -0.248 1.00 0.00 C ATOM 1303 CD GLU A 85 -11.358 11.094 0.570 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -11.749 12.105 -0.053 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -11.134 11.031 1.798 1.00 0.00 O ATOM 0 HA GLU A 85 -10.208 8.535 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.968 9.922 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.630 10.726 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.881 9.745 -1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.217 8.954 0.393 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.973 8.719 -3.674 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.692 8.819 -4.365 1.00 0.00 C ATOM 1314 C VAL A 86 -5.977 10.099 -3.916 1.00 0.00 C ATOM 1315 O VAL A 86 -6.347 11.194 -4.338 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.903 8.798 -5.891 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.564 8.926 -6.629 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.562 7.491 -6.343 1.00 0.00 C ATOM 0 H VAL A 86 -8.780 8.720 -4.298 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.068 7.963 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.550 9.642 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.738 8.909 -7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.085 9.866 -6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.916 8.094 -6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.697 7.507 -7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.926 6.649 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.532 7.386 -5.857 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.958 9.965 -3.067 1.00 0.00 N ATOM 1329 CA ALA A 87 -4.175 11.082 -2.565 1.00 0.00 C ATOM 1330 C ALA A 87 -3.143 11.508 -3.606 1.00 0.00 C ATOM 1331 O ALA A 87 -2.950 12.700 -3.836 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.494 10.683 -1.254 1.00 0.00 C ATOM 0 H ALA A 87 -4.653 9.061 -2.706 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.833 11.929 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.907 11.522 -0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.251 10.412 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.838 9.831 -1.430 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.474 10.536 -4.235 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.460 10.795 -5.244 1.00 0.00 C ATOM 1340 C ALA A 88 -1.328 9.586 -6.167 1.00 0.00 C ATOM 1341 O ALA A 88 -1.680 8.469 -5.780 1.00 0.00 O ATOM 1342 CB ALA A 88 -0.124 11.112 -4.565 1.00 0.00 C ATOM 0 H ALA A 88 -2.627 9.544 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.754 11.655 -5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.633 11.305 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.237 11.993 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.184 10.264 -3.954 1.00 0.00 H new ATOM 1348 N THR A 89 -0.832 9.820 -7.384 1.00 0.00 N ATOM 1349 CA THR A 89 -0.651 8.808 -8.412 1.00 0.00 C ATOM 1350 C THR A 89 0.754 8.939 -8.998 1.00 0.00 C ATOM 1351 O THR A 89 1.020 9.934 -9.673 1.00 0.00 O ATOM 1352 CB THR A 89 -1.719 9.002 -9.500 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.597 10.266 -10.125 1.00 0.00 O ATOM 1354 CG2 THR A 89 -3.126 8.942 -8.905 1.00 0.00 C ATOM 0 H THR A 89 -0.538 10.749 -7.685 1.00 0.00 H new ATOM 0 HA THR A 89 -0.761 7.809 -7.989 1.00 0.00 H new ATOM 0 HB THR A 89 -1.566 8.200 -10.222 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.649 10.470 -10.268 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.862 9.082 -9.697 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.281 7.971 -8.434 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.240 9.730 -8.160 1.00 0.00 H new ATOM 1362 N LYS A 90 1.644 7.965 -8.779 1.00 0.00 N ATOM 1363 CA LYS A 90 2.987 8.024 -9.343 1.00 0.00 C ATOM 1364 C LYS A 90 3.001 7.163 -10.602 1.00 0.00 C ATOM 1365 O LYS A 90 2.910 5.942 -10.513 1.00 0.00 O ATOM 1366 CB LYS A 90 4.040 7.601 -8.306 1.00 0.00 C ATOM 1367 CG LYS A 90 5.423 8.218 -8.583 1.00 0.00 C ATOM 1368 CD LYS A 90 6.157 7.569 -9.768 1.00 0.00 C ATOM 1369 CE LYS A 90 7.329 8.428 -10.256 1.00 0.00 C ATOM 1370 NZ LYS A 90 7.894 7.885 -11.505 1.00 0.00 N ATOM 0 H LYS A 90 1.456 7.134 -8.219 1.00 0.00 H new ATOM 0 HA LYS A 90 3.251 9.046 -9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.706 7.898 -7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.125 6.514 -8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.304 9.284 -8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.039 8.125 -7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.526 6.587 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.456 7.413 -10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.992 9.452 -10.419 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.102 8.466 -9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.542 8.582 -11.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.414 7.008 -11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.125 7.682 -12.174 1.00 0.00 H new ATOM 1384 N VAL A 91 3.121 7.801 -11.766 1.00 0.00 N ATOM 1385 CA VAL A 91 3.200 7.134 -13.057 1.00 0.00 C ATOM 1386 C VAL A 91 4.678 6.873 -13.366 1.00 0.00 C ATOM 1387 O VAL A 91 5.502 7.778 -13.234 1.00 0.00 O ATOM 1388 CB VAL A 91 2.542 8.013 -14.137 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.588 7.330 -15.511 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.077 8.320 -13.797 1.00 0.00 C ATOM 0 H VAL A 91 3.167 8.818 -11.835 1.00 0.00 H new ATOM 0 HA VAL A 91 2.666 6.184 -13.040 1.00 0.00 H new ATOM 0 HB VAL A 91 3.109 8.943 -14.169 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.116 7.974 -16.253 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.625 7.150 -15.793 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.055 6.380 -15.463 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.644 8.942 -14.580 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.517 7.387 -13.724 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.027 8.849 -12.845 1.00 0.00 H new ATOM 1400 N GLY A 92 5.017 5.650 -13.776 1.00 0.00 N ATOM 1401 CA GLY A 92 6.376 5.260 -14.117 1.00 0.00 C ATOM 1402 C GLY A 92 7.150 4.758 -12.899 1.00 0.00 C ATOM 1403 O GLY A 92 6.766 4.989 -11.753 1.00 0.00 O ATOM 0 H GLY A 92 4.340 4.894 -13.880 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.349 4.479 -14.877 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.899 6.111 -14.553 1.00 0.00 H new ATOM 1407 N ALA A 93 8.256 4.053 -13.159 1.00 0.00 N ATOM 1408 CA ALA A 93 9.123 3.516 -12.119 1.00 0.00 C ATOM 1409 C ALA A 93 9.879 4.649 -11.414 1.00 0.00 C ATOM 1410 O ALA A 93 9.862 5.794 -11.862 1.00 0.00 O ATOM 1411 CB ALA A 93 10.088 2.498 -12.736 1.00 0.00 C ATOM 0 H ALA A 93 8.572 3.841 -14.105 1.00 0.00 H new ATOM 0 HA ALA A 93 8.519 3.009 -11.367 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.738 2.095 -11.959 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.519 1.687 -13.190 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.694 2.987 -13.498 1.00 0.00 H new ATOM 1417 N LEU A 94 10.550 4.322 -10.310 1.00 0.00 N ATOM 1418 CA LEU A 94 11.318 5.249 -9.495 1.00 0.00 C ATOM 1419 C LEU A 94 12.225 4.431 -8.577 1.00 0.00 C ATOM 1420 O LEU A 94 12.005 3.230 -8.416 1.00 0.00 O ATOM 1421 CB LEU A 94 10.388 6.187 -8.706 1.00 0.00 C ATOM 1422 CG LEU A 94 9.579 5.535 -7.568 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.740 6.619 -6.885 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.634 4.421 -8.037 1.00 0.00 C ATOM 0 H LEU A 94 10.571 3.368 -9.950 1.00 0.00 H new ATOM 0 HA LEU A 94 11.933 5.891 -10.126 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.990 6.991 -8.283 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.689 6.646 -9.405 1.00 0.00 H new ATOM 0 HG LEU A 94 10.301 5.077 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.160 6.175 -6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.398 7.387 -6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.063 7.068 -7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.100 4.012 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.917 4.828 -8.750 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.212 3.631 -8.515 1.00 0.00 H new ATOM 1436 N SER A 95 13.241 5.063 -7.988 1.00 0.00 N ATOM 1437 CA SER A 95 14.159 4.376 -7.092 1.00 0.00 C ATOM 1438 C SER A 95 13.491 4.087 -5.746 1.00 0.00 C ATOM 1439 O SER A 95 12.494 4.712 -5.383 1.00 0.00 O ATOM 1440 CB SER A 95 15.411 5.233 -6.869 1.00 0.00 C ATOM 1441 OG SER A 95 15.063 6.441 -6.222 1.00 0.00 O ATOM 0 H SER A 95 13.446 6.054 -8.119 1.00 0.00 H new ATOM 0 HA SER A 95 14.441 3.429 -7.552 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.135 4.684 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.889 5.448 -7.825 1.00 0.00 H new ATOM 0 HG SER A 95 14.703 7.072 -6.880 1.00 0.00 H new ATOM 1447 N LYS A 96 14.087 3.171 -4.977 1.00 0.00 N ATOM 1448 CA LYS A 96 13.635 2.863 -3.630 1.00 0.00 C ATOM 1449 C LYS A 96 13.606 4.153 -2.802 1.00 0.00 C ATOM 1450 O LYS A 96 12.638 4.408 -2.093 1.00 0.00 O ATOM 1451 CB LYS A 96 14.558 1.799 -3.018 1.00 0.00 C ATOM 1452 CG LYS A 96 14.186 1.469 -1.567 1.00 0.00 C ATOM 1453 CD LYS A 96 15.055 0.316 -1.053 1.00 0.00 C ATOM 1454 CE LYS A 96 14.768 0.064 0.431 1.00 0.00 C ATOM 1455 NZ LYS A 96 15.510 -1.104 0.934 1.00 0.00 N ATOM 0 H LYS A 96 14.895 2.626 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 96 12.624 2.455 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.509 0.891 -3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.589 2.151 -3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.325 2.348 -0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.132 1.197 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.853 -0.587 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.109 0.554 -1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.040 0.946 1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.699 -0.094 0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 15.293 -1.246 1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.231 -1.950 0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.531 -0.942 0.820 1.00 0.00 H new ATOM 1469 N GLY A 97 14.658 4.972 -2.908 1.00 0.00 N ATOM 1470 CA GLY A 97 14.746 6.240 -2.200 1.00 0.00 C ATOM 1471 C GLY A 97 13.563 7.142 -2.548 1.00 0.00 C ATOM 1472 O GLY A 97 12.844 7.594 -1.656 1.00 0.00 O ATOM 0 H GLY A 97 15.470 4.768 -3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.767 6.060 -1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.679 6.741 -2.458 1.00 0.00 H new ATOM 1476 N GLN A 98 13.343 7.392 -3.844 1.00 0.00 N ATOM 1477 CA GLN A 98 12.226 8.217 -4.289 1.00 0.00 C ATOM 1478 C GLN A 98 10.903 7.647 -3.773 1.00 0.00 C ATOM 1479 O GLN A 98 10.051 8.394 -3.295 1.00 0.00 O ATOM 1480 CB GLN A 98 12.198 8.300 -5.816 1.00 0.00 C ATOM 1481 CG GLN A 98 13.325 9.172 -6.377 1.00 0.00 C ATOM 1482 CD GLN A 98 13.455 8.942 -7.878 1.00 0.00 C ATOM 1483 OE1 GLN A 98 13.837 7.850 -8.294 1.00 0.00 O ATOM 1484 NE2 GLN A 98 13.129 9.935 -8.699 1.00 0.00 N ATOM 0 H GLN A 98 13.927 7.032 -4.599 1.00 0.00 H new ATOM 0 HA GLN A 98 12.359 9.221 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.278 7.296 -6.233 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.237 8.703 -6.137 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.118 10.223 -6.177 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.265 8.932 -5.880 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.816 10.828 -8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.192 9.804 -9.709 1.00 0.00 H new ATOM 1493 N LEU A 99 10.722 6.328 -3.870 1.00 0.00 N ATOM 1494 CA LEU A 99 9.505 5.681 -3.406 1.00 0.00 C ATOM 1495 C LEU A 99 9.310 5.935 -1.911 1.00 0.00 C ATOM 1496 O LEU A 99 8.265 6.442 -1.510 1.00 0.00 O ATOM 1497 CB LEU A 99 9.527 4.191 -3.774 1.00 0.00 C ATOM 1498 CG LEU A 99 8.252 3.430 -3.376 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.967 4.069 -3.921 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.348 2.002 -3.919 1.00 0.00 C ATOM 0 H LEU A 99 11.410 5.689 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 99 8.639 6.112 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.674 4.095 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.384 3.721 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 99 8.190 3.454 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.105 3.482 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.875 5.085 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.007 4.094 -5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.450 1.448 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.440 2.031 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.223 1.509 -3.494 1.00 0.00 H new ATOM 1512 N LYS A 100 10.311 5.623 -1.083 1.00 0.00 N ATOM 1513 CA LYS A 100 10.235 5.855 0.355 1.00 0.00 C ATOM 1514 C LYS A 100 9.904 7.317 0.653 1.00 0.00 C ATOM 1515 O LYS A 100 9.031 7.594 1.474 1.00 0.00 O ATOM 1516 CB LYS A 100 11.539 5.439 1.045 1.00 0.00 C ATOM 1517 CG LYS A 100 11.688 3.914 1.064 1.00 0.00 C ATOM 1518 CD LYS A 100 12.973 3.453 1.762 1.00 0.00 C ATOM 1519 CE LYS A 100 12.954 3.764 3.264 1.00 0.00 C ATOM 1520 NZ LYS A 100 14.093 3.138 3.957 1.00 0.00 N ATOM 0 H LYS A 100 11.189 5.206 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 100 9.430 5.238 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.388 5.884 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.553 5.822 2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.828 3.475 1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.681 3.540 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.100 2.380 1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.831 3.942 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.983 4.843 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.021 3.407 3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.051 3.367 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.050 2.106 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.983 3.498 3.557 1.00 0.00 H new ATOM 1534 N GLU A 101 10.591 8.243 -0.022 1.00 0.00 N ATOM 1535 CA GLU A 101 10.374 9.673 0.129 1.00 0.00 C ATOM 1536 C GLU A 101 8.911 10.017 -0.170 1.00 0.00 C ATOM 1537 O GLU A 101 8.237 10.636 0.649 1.00 0.00 O ATOM 1538 CB GLU A 101 11.353 10.413 -0.795 1.00 0.00 C ATOM 1539 CG GLU A 101 11.265 11.936 -0.647 1.00 0.00 C ATOM 1540 CD GLU A 101 12.276 12.633 -1.553 1.00 0.00 C ATOM 1541 OE1 GLU A 101 12.148 12.459 -2.784 1.00 0.00 O ATOM 1542 OE2 GLU A 101 13.163 13.316 -0.998 1.00 0.00 O ATOM 0 H GLU A 101 11.321 8.011 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 101 10.566 9.989 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.370 10.088 -0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.147 10.140 -1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.258 12.271 -0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.448 12.215 0.391 1.00 0.00 H new ATOM 1549 N PHE A 102 8.420 9.604 -1.341 1.00 0.00 N ATOM 1550 CA PHE A 102 7.047 9.827 -1.777 1.00 0.00 C ATOM 1551 C PHE A 102 6.062 9.293 -0.734 1.00 0.00 C ATOM 1552 O PHE A 102 5.169 10.011 -0.279 1.00 0.00 O ATOM 1553 CB PHE A 102 6.844 9.155 -3.144 1.00 0.00 C ATOM 1554 CG PHE A 102 5.412 9.122 -3.645 1.00 0.00 C ATOM 1555 CD1 PHE A 102 4.884 10.216 -4.358 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.625 7.971 -3.451 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.590 10.140 -4.906 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.327 7.903 -3.986 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.815 8.982 -4.726 1.00 0.00 C ATOM 0 H PHE A 102 8.981 9.095 -2.024 1.00 0.00 H new ATOM 0 HA PHE A 102 6.858 10.895 -1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.457 9.675 -3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.215 8.132 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.472 11.113 -4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.020 7.137 -2.889 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.192 10.973 -5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.723 7.021 -3.828 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.826 8.921 -5.156 1.00 0.00 H new ATOM 1569 N LEU A 103 6.224 8.027 -0.350 1.00 0.00 N ATOM 1570 CA LEU A 103 5.360 7.387 0.628 1.00 0.00 C ATOM 1571 C LEU A 103 5.370 8.170 1.935 1.00 0.00 C ATOM 1572 O LEU A 103 4.307 8.509 2.448 1.00 0.00 O ATOM 1573 CB LEU A 103 5.784 5.933 0.843 1.00 0.00 C ATOM 1574 CG LEU A 103 5.568 5.075 -0.411 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.234 3.716 -0.194 1.00 0.00 C ATOM 1576 CD2 LEU A 103 4.085 4.912 -0.755 1.00 0.00 C ATOM 0 H LEU A 103 6.960 7.420 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 103 4.338 7.383 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.836 5.901 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.218 5.510 1.673 1.00 0.00 H new ATOM 0 HG LEU A 103 6.023 5.581 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.089 3.094 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.301 3.857 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.788 3.226 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.984 4.297 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.570 4.431 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.644 5.892 -0.937 1.00 0.00 H new ATOM 1588 N ASP A 104 6.555 8.483 2.463 1.00 0.00 N ATOM 1589 CA ASP A 104 6.688 9.257 3.689 1.00 0.00 C ATOM 1590 C ASP A 104 5.941 10.586 3.561 1.00 0.00 C ATOM 1591 O ASP A 104 5.121 10.918 4.411 1.00 0.00 O ATOM 1592 CB ASP A 104 8.169 9.482 4.011 1.00 0.00 C ATOM 1593 CG ASP A 104 8.322 10.321 5.275 1.00 0.00 C ATOM 1594 OD1 ASP A 104 8.211 9.721 6.366 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.538 11.542 5.126 1.00 0.00 O ATOM 0 H ASP A 104 7.445 8.205 2.050 1.00 0.00 H new ATOM 0 HA ASP A 104 6.242 8.700 4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.668 8.522 4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.657 9.983 3.175 1.00 0.00 H new ATOM 1600 N ALA A 105 6.215 11.331 2.487 1.00 0.00 N ATOM 1601 CA ALA A 105 5.586 12.615 2.214 1.00 0.00 C ATOM 1602 C ALA A 105 4.060 12.508 2.180 1.00 0.00 C ATOM 1603 O ALA A 105 3.373 13.409 2.654 1.00 0.00 O ATOM 1604 CB ALA A 105 6.126 13.184 0.898 1.00 0.00 C ATOM 0 H ALA A 105 6.890 11.051 1.776 1.00 0.00 H new ATOM 0 HA ALA A 105 5.836 13.296 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.653 14.145 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.205 13.319 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.905 12.493 0.085 1.00 0.00 H new ATOM 1610 N ASN A 106 3.523 11.411 1.636 1.00 0.00 N ATOM 1611 CA ASN A 106 2.077 11.237 1.537 1.00 0.00 C ATOM 1612 C ASN A 106 1.502 10.824 2.890 1.00 0.00 C ATOM 1613 O ASN A 106 0.503 11.388 3.328 1.00 0.00 O ATOM 1614 CB ASN A 106 1.729 10.172 0.491 1.00 0.00 C ATOM 1615 CG ASN A 106 1.681 10.725 -0.929 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.610 11.047 -1.432 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.825 10.822 -1.593 1.00 0.00 N ATOM 0 H ASN A 106 4.068 10.635 1.260 1.00 0.00 H new ATOM 0 HA ASN A 106 1.642 12.189 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.466 9.370 0.538 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.763 9.732 0.736 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.831 11.173 -2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.699 10.546 -1.146 1.00 0.00 H new ATOM 1624 N LEU A 107 2.120 9.848 3.560 1.00 0.00 N ATOM 1625 CA LEU A 107 1.678 9.377 4.868 1.00 0.00 C ATOM 1626 C LEU A 107 1.687 10.538 5.865 1.00 0.00 C ATOM 1627 O LEU A 107 0.732 10.723 6.616 1.00 0.00 O ATOM 1628 CB LEU A 107 2.557 8.208 5.342 1.00 0.00 C ATOM 1629 CG LEU A 107 2.338 6.924 4.521 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.509 5.963 4.746 1.00 0.00 C ATOM 1631 CD2 LEU A 107 1.032 6.216 4.902 1.00 0.00 C ATOM 0 H LEU A 107 2.944 9.362 3.206 1.00 0.00 H new ATOM 0 HA LEU A 107 0.656 9.004 4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.605 8.499 5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.346 8.003 6.391 1.00 0.00 H new ATOM 0 HG LEU A 107 2.276 7.212 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.352 5.055 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.437 6.440 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.573 5.709 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.917 5.315 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.060 5.945 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.190 6.884 4.721 1.00 0.00 H new ATOM 1643 N ALA A 108 2.755 11.343 5.858 1.00 0.00 N ATOM 1644 CA ALA A 108 2.871 12.511 6.714 1.00 0.00 C ATOM 1645 C ALA A 108 1.742 13.492 6.400 1.00 0.00 C ATOM 1646 O ALA A 108 1.594 14.509 7.077 1.00 0.00 O ATOM 1647 CB ALA A 108 4.242 13.162 6.512 1.00 0.00 C ATOM 0 H ALA A 108 3.563 11.195 5.253 1.00 0.00 H new ATOM 0 HA ALA A 108 2.784 12.214 7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.327 14.038 7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.025 12.448 6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.351 13.464 5.471 1.00 0.00 H new