USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1000 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 122 LYS NZ :NH3+ 147:sc=-0.00605 (180deg=-0.599) USER MOD Set 1.2: A 126 LYS NZ :NH3+ 163:sc= -0.148 (180deg=-0.918) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 68:sc= 0.315 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 144:sc= -0.84 (180deg=-1.66) USER MOD Single : A 23 ASN : amide:sc= -0.0821 X(o=-0.082,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc=0.000515! X(o=0.00051!,f=-0.23) USER MOD Single : A 32 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 44 ASN : amide:sc= -1.4! K(o=-1.4!,f=-2.4) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0181) USER MOD Single : A 47 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.1) USER MOD Single : A 51 TYR OH : rot -79:sc= -1.16 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.3! C(o=-3.3!,f=-12!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.31 X(o=-2.3,f=-2.4) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -160:sc=-0.00359 (180deg=-0.107) USER MOD Single : A 71 THR OG1 : rot 61:sc= 1.01 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0088 USER MOD Single : A 85 MET CE :methyl 145:sc= -0.336 (180deg=-1.49!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 161:sc= -0.097 (180deg=-0.683) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.012 F(o=-1.9,f=-0.012) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -1.55 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -90:sc= 0.455 USER MOD Single : A 119 LYS NZ :NH3+ 157:sc= -1.51 (180deg=-2.18) USER MOD Single : A 121 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.39) USER MOD Single : A 129 MET CE :methyl 152:sc= -0.0537 (180deg=-0.422) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.283 1.096 9.444 1.00 0.00 N ATOM 2 CA ALA A 2 -12.938 1.681 9.691 1.00 0.00 C ATOM 3 C ALA A 2 -12.833 3.031 8.980 1.00 0.00 C ATOM 4 O ALA A 2 -11.983 3.238 8.137 1.00 0.00 O ATOM 5 CB ALA A 2 -11.863 0.727 9.164 1.00 0.00 C ATOM 0 HA ALA A 2 -12.792 1.828 10.761 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.877 1.155 9.344 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.943 -0.231 9.678 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.003 0.577 8.094 1.00 0.00 H new ATOM 11 N ASP A 3 -13.692 3.954 9.319 1.00 0.00 N ATOM 12 CA ASP A 3 -13.649 5.296 8.672 1.00 0.00 C ATOM 13 C ASP A 3 -13.895 5.153 7.169 1.00 0.00 C ATOM 14 O ASP A 3 -13.237 4.392 6.492 1.00 0.00 O ATOM 15 CB ASP A 3 -12.277 5.930 8.905 1.00 0.00 C ATOM 16 CG ASP A 3 -11.783 5.571 10.308 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.529 5.785 11.249 1.00 0.00 O ATOM 18 OD2 ASP A 3 -10.669 5.087 10.417 1.00 0.00 O ATOM 0 H ASP A 3 -14.424 3.835 10.019 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.423 5.930 9.105 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.569 5.576 8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.341 7.013 8.796 1.00 0.00 H new ATOM 23 N LYS A 4 -14.831 5.890 6.638 1.00 0.00 N ATOM 24 CA LYS A 4 -15.109 5.805 5.177 1.00 0.00 C ATOM 25 C LYS A 4 -14.240 6.828 4.452 1.00 0.00 C ATOM 26 O LYS A 4 -14.516 7.214 3.334 1.00 0.00 O ATOM 27 CB LYS A 4 -16.583 6.116 4.912 1.00 0.00 C ATOM 28 CG LYS A 4 -17.416 4.836 5.044 1.00 0.00 C ATOM 29 CD LYS A 4 -18.881 5.129 4.700 1.00 0.00 C ATOM 30 CE LYS A 4 -19.000 5.562 3.234 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.321 5.129 2.694 1.00 0.00 N ATOM 0 H LYS A 4 -15.416 6.548 7.153 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.885 4.800 4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.938 6.866 5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.702 6.537 3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.024 4.066 4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.343 4.447 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.489 4.241 4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.266 5.913 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.899 6.644 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.193 5.123 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.403 5.422 1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.399 4.094 2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.083 5.568 3.248 1.00 0.00 H new ATOM 45 N GLU A 5 -13.196 7.273 5.089 1.00 0.00 N ATOM 46 CA GLU A 5 -12.306 8.278 4.454 1.00 0.00 C ATOM 47 C GLU A 5 -10.863 8.005 4.880 1.00 0.00 C ATOM 48 O GLU A 5 -10.133 8.904 5.245 1.00 0.00 O ATOM 49 CB GLU A 5 -12.730 9.679 4.910 1.00 0.00 C ATOM 50 CG GLU A 5 -11.774 10.728 4.337 1.00 0.00 C ATOM 51 CD GLU A 5 -12.578 11.841 3.663 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.383 11.526 2.802 1.00 0.00 O ATOM 53 OE2 GLU A 5 -12.374 12.991 4.018 1.00 0.00 O ATOM 0 H GLU A 5 -12.920 6.982 6.027 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.379 8.215 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.748 9.885 4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.730 9.731 5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.155 11.143 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.100 10.265 3.616 1.00 0.00 H new ATOM 60 N LEU A 6 -10.441 6.769 4.841 1.00 0.00 N ATOM 61 CA LEU A 6 -9.052 6.464 5.247 1.00 0.00 C ATOM 62 C LEU A 6 -8.116 6.836 4.091 1.00 0.00 C ATOM 63 O LEU A 6 -8.226 6.319 3.002 1.00 0.00 O ATOM 64 CB LEU A 6 -8.945 4.968 5.600 1.00 0.00 C ATOM 65 CG LEU A 6 -7.617 4.649 6.312 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.449 5.517 7.562 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.618 3.189 6.748 1.00 0.00 C ATOM 0 H LEU A 6 -10.999 5.967 4.547 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.766 7.039 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.780 4.684 6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.024 4.372 4.691 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.801 4.849 5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.504 5.275 8.049 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.451 6.569 7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.272 5.326 8.251 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.679 2.959 7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.449 3.014 7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.726 2.548 5.873 1.00 0.00 H new ATOM 79 N LYS A 7 -7.229 7.768 4.315 1.00 0.00 N ATOM 80 CA LYS A 7 -6.309 8.228 3.227 1.00 0.00 C ATOM 81 C LYS A 7 -5.377 7.105 2.755 1.00 0.00 C ATOM 82 O LYS A 7 -4.596 6.567 3.521 1.00 0.00 O ATOM 83 CB LYS A 7 -5.459 9.388 3.753 1.00 0.00 C ATOM 84 CG LYS A 7 -6.053 10.717 3.281 1.00 0.00 C ATOM 85 CD LYS A 7 -5.407 11.867 4.058 1.00 0.00 C ATOM 86 CE LYS A 7 -6.091 13.185 3.692 1.00 0.00 C ATOM 87 NZ LYS A 7 -5.169 14.320 3.980 1.00 0.00 N ATOM 0 H LYS A 7 -7.099 8.236 5.212 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.919 8.541 2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.423 9.361 4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.433 9.290 3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.883 10.845 2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.132 10.721 3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.492 11.687 5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.343 11.922 3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.365 13.184 2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.014 13.299 4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.634 15.217 3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.929 14.324 4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.300 14.213 3.418 1.00 0.00 H new ATOM 101 N PHE A 8 -5.437 6.774 1.482 1.00 0.00 N ATOM 102 CA PHE A 8 -4.548 5.723 0.922 1.00 0.00 C ATOM 103 C PHE A 8 -3.607 6.360 -0.097 1.00 0.00 C ATOM 104 O PHE A 8 -4.005 7.226 -0.847 1.00 0.00 O ATOM 105 CB PHE A 8 -5.376 4.680 0.162 1.00 0.00 C ATOM 106 CG PHE A 8 -6.282 3.911 1.087 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.558 4.399 1.365 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.854 2.705 1.651 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.409 3.686 2.214 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.705 1.988 2.502 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.983 2.480 2.784 1.00 0.00 C ATOM 0 H PHE A 8 -6.074 7.198 0.808 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.003 5.259 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.973 5.176 -0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.708 3.989 -0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.889 5.328 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.867 2.326 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.397 4.066 2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.375 1.057 2.939 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.641 1.930 3.441 1.00 0.00 H new ATOM 121 N LEU A 9 -2.379 5.916 -0.153 1.00 0.00 N ATOM 122 CA LEU A 9 -1.427 6.476 -1.162 1.00 0.00 C ATOM 123 C LEU A 9 -1.008 5.358 -2.123 1.00 0.00 C ATOM 124 O LEU A 9 -0.410 4.382 -1.718 1.00 0.00 O ATOM 125 CB LEU A 9 -0.186 7.039 -0.464 1.00 0.00 C ATOM 126 CG LEU A 9 0.843 7.488 -1.506 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.214 8.508 -2.454 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.035 8.128 -0.800 1.00 0.00 C ATOM 0 H LEU A 9 -1.993 5.192 0.453 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.916 7.280 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.465 7.881 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.250 6.281 0.187 1.00 0.00 H new ATOM 0 HG LEU A 9 1.173 6.620 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.952 8.822 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.637 8.056 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.122 9.375 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.768 8.448 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.698 8.992 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.492 7.402 -0.127 1.00 0.00 H new ATOM 140 N VAL A 10 -1.312 5.495 -3.391 1.00 0.00 N ATOM 141 CA VAL A 10 -0.929 4.441 -4.374 1.00 0.00 C ATOM 142 C VAL A 10 0.255 4.930 -5.221 1.00 0.00 C ATOM 143 O VAL A 10 0.133 5.852 -6.006 1.00 0.00 O ATOM 144 CB VAL A 10 -2.124 4.143 -5.280 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.062 3.152 -4.586 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.883 5.437 -5.571 1.00 0.00 C ATOM 0 H VAL A 10 -1.810 6.293 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.637 3.534 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.766 3.712 -6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.913 2.941 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.525 2.226 -4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.417 3.582 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.734 5.222 -6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.238 5.869 -4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.219 6.144 -6.069 1.00 0.00 H new ATOM 156 N VAL A 11 1.401 4.315 -5.061 1.00 0.00 N ATOM 157 CA VAL A 11 2.601 4.726 -5.837 1.00 0.00 C ATOM 158 C VAL A 11 2.884 3.689 -6.929 1.00 0.00 C ATOM 159 O VAL A 11 3.187 2.547 -6.649 1.00 0.00 O ATOM 160 CB VAL A 11 3.804 4.825 -4.891 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.019 5.402 -5.631 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.442 5.739 -3.723 1.00 0.00 C ATOM 0 H VAL A 11 1.553 3.538 -4.418 1.00 0.00 H new ATOM 0 HA VAL A 11 2.424 5.696 -6.302 1.00 0.00 H new ATOM 0 HB VAL A 11 4.056 3.829 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.865 5.466 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.277 4.753 -6.468 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.778 6.397 -6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.291 5.816 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.189 6.729 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.587 5.325 -3.189 1.00 0.00 H new ATOM 172 N ASP A 12 2.787 4.078 -8.172 1.00 0.00 N ATOM 173 CA ASP A 12 3.048 3.113 -9.277 1.00 0.00 C ATOM 174 C ASP A 12 3.604 3.860 -10.491 1.00 0.00 C ATOM 175 O ASP A 12 4.447 4.725 -10.367 1.00 0.00 O ATOM 176 CB ASP A 12 1.744 2.414 -9.666 1.00 0.00 C ATOM 177 CG ASP A 12 2.063 1.147 -10.460 1.00 0.00 C ATOM 178 OD1 ASP A 12 2.578 0.214 -9.867 1.00 0.00 O ATOM 179 OD2 ASP A 12 1.788 1.131 -11.649 1.00 0.00 O ATOM 0 H ASP A 12 2.538 5.022 -8.469 1.00 0.00 H new ATOM 0 HA ASP A 12 3.773 2.371 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.173 2.162 -8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.124 3.083 -10.262 1.00 0.00 H new ATOM 184 N ASP A 13 3.137 3.533 -11.664 1.00 0.00 N ATOM 185 CA ASP A 13 3.639 4.226 -12.884 1.00 0.00 C ATOM 186 C ASP A 13 2.620 4.071 -14.015 1.00 0.00 C ATOM 187 O ASP A 13 2.611 4.832 -14.963 1.00 0.00 O ATOM 188 CB ASP A 13 4.972 3.608 -13.310 1.00 0.00 C ATOM 189 CG ASP A 13 5.073 3.612 -14.837 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.981 4.683 -15.414 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.237 2.544 -15.403 1.00 0.00 O ATOM 0 H ASP A 13 2.430 2.817 -11.831 1.00 0.00 H new ATOM 0 HA ASP A 13 3.782 5.285 -12.667 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.800 4.171 -12.879 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.049 2.588 -12.933 1.00 0.00 H new ATOM 196 N PHE A 14 1.764 3.089 -13.927 1.00 0.00 N ATOM 197 CA PHE A 14 0.750 2.889 -14.999 1.00 0.00 C ATOM 198 C PHE A 14 -0.252 4.046 -14.977 1.00 0.00 C ATOM 199 O PHE A 14 -0.836 4.354 -13.958 1.00 0.00 O ATOM 200 CB PHE A 14 0.010 1.570 -14.764 1.00 0.00 C ATOM 201 CG PHE A 14 0.069 0.730 -16.019 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.390 1.257 -17.232 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.579 -0.573 -15.969 1.00 0.00 C ATOM 204 CE1 PHE A 14 -0.337 0.480 -18.397 1.00 0.00 C ATOM 205 CE2 PHE A 14 0.632 -1.348 -17.134 1.00 0.00 C ATOM 206 CZ PHE A 14 0.173 -0.821 -18.347 1.00 0.00 C ATOM 0 H PHE A 14 1.724 2.418 -13.160 1.00 0.00 H new ATOM 0 HA PHE A 14 1.249 2.858 -15.968 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.461 1.031 -13.931 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.027 1.766 -14.493 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.785 2.262 -17.270 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.931 -0.980 -15.033 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.690 0.886 -19.333 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.027 -2.352 -17.097 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.213 -1.420 -19.245 1.00 0.00 H new ATOM 216 N SER A 15 -0.453 4.690 -16.095 1.00 0.00 N ATOM 217 CA SER A 15 -1.415 5.826 -16.136 1.00 0.00 C ATOM 218 C SER A 15 -2.839 5.285 -16.277 1.00 0.00 C ATOM 219 O SER A 15 -3.644 5.815 -17.017 1.00 0.00 O ATOM 220 CB SER A 15 -1.090 6.725 -17.329 1.00 0.00 C ATOM 221 OG SER A 15 -1.446 6.057 -18.532 1.00 0.00 O ATOM 0 H SER A 15 0.007 4.478 -16.980 1.00 0.00 H new ATOM 0 HA SER A 15 -1.336 6.402 -15.214 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.633 7.667 -17.248 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.028 6.969 -17.336 1.00 0.00 H new ATOM 0 HG SER A 15 -2.421 5.968 -18.580 1.00 0.00 H new ATOM 227 N THR A 16 -3.157 4.233 -15.573 1.00 0.00 N ATOM 228 CA THR A 16 -4.530 3.661 -15.667 1.00 0.00 C ATOM 229 C THR A 16 -4.754 2.678 -14.516 1.00 0.00 C ATOM 230 O THR A 16 -5.861 2.491 -14.053 1.00 0.00 O ATOM 231 CB THR A 16 -4.686 2.929 -17.003 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.986 2.361 -17.080 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.636 1.822 -17.107 1.00 0.00 C ATOM 0 H THR A 16 -2.526 3.745 -14.937 1.00 0.00 H new ATOM 0 HA THR A 16 -5.264 4.464 -15.605 1.00 0.00 H new ATOM 0 HB THR A 16 -4.548 3.634 -17.823 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.089 1.893 -17.935 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.748 1.302 -18.058 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.639 2.259 -17.048 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.771 1.115 -16.289 1.00 0.00 H new ATOM 241 N MET A 17 -3.710 2.048 -14.049 1.00 0.00 N ATOM 242 CA MET A 17 -3.866 1.080 -12.928 1.00 0.00 C ATOM 243 C MET A 17 -4.487 1.791 -11.725 1.00 0.00 C ATOM 244 O MET A 17 -5.419 1.304 -11.117 1.00 0.00 O ATOM 245 CB MET A 17 -2.493 0.525 -12.539 1.00 0.00 C ATOM 246 CG MET A 17 -2.644 -0.426 -11.351 1.00 0.00 C ATOM 247 SD MET A 17 -1.714 -1.945 -11.671 1.00 0.00 S ATOM 248 CE MET A 17 -0.072 -1.190 -11.780 1.00 0.00 C ATOM 0 H MET A 17 -2.757 2.162 -14.395 1.00 0.00 H new ATOM 0 HA MET A 17 -4.514 0.261 -13.241 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.049 -0.000 -13.384 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.819 1.342 -12.281 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.280 0.051 -10.441 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.697 -0.659 -11.189 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.668 -1.865 -11.350 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.173 -1.001 -12.825 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.067 -0.249 -11.231 1.00 0.00 H new ATOM 258 N ARG A 18 -3.973 2.938 -11.372 1.00 0.00 N ATOM 259 CA ARG A 18 -4.530 3.678 -10.203 1.00 0.00 C ATOM 260 C ARG A 18 -6.052 3.706 -10.295 1.00 0.00 C ATOM 261 O ARG A 18 -6.743 3.779 -9.299 1.00 0.00 O ATOM 262 CB ARG A 18 -4.034 5.132 -10.175 1.00 0.00 C ATOM 263 CG ARG A 18 -2.878 5.363 -11.164 1.00 0.00 C ATOM 264 CD ARG A 18 -1.620 4.608 -10.714 1.00 0.00 C ATOM 265 NE ARG A 18 -1.374 4.858 -9.268 1.00 0.00 N ATOM 266 CZ ARG A 18 -0.717 3.983 -8.560 1.00 0.00 C ATOM 267 NH1 ARG A 18 -1.122 2.743 -8.516 1.00 0.00 N ATOM 268 NH2 ARG A 18 0.345 4.348 -7.896 1.00 0.00 N ATOM 0 H ARG A 18 -3.192 3.395 -11.842 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.200 3.165 -9.299 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.859 5.802 -10.418 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.705 5.384 -9.167 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.172 5.029 -12.159 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.662 6.429 -11.236 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.742 3.540 -10.892 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.760 4.933 -11.300 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.719 5.713 -8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.952 2.459 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.608 2.058 -7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.660 5.317 -7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.860 3.664 -7.342 1.00 0.00 H new ATOM 282 N ARG A 19 -6.583 3.672 -11.482 1.00 0.00 N ATOM 283 CA ARG A 19 -8.060 3.721 -11.623 1.00 0.00 C ATOM 284 C ARG A 19 -8.681 2.436 -11.070 1.00 0.00 C ATOM 285 O ARG A 19 -9.758 2.448 -10.509 1.00 0.00 O ATOM 286 CB ARG A 19 -8.432 3.876 -13.100 1.00 0.00 C ATOM 287 CG ARG A 19 -7.583 4.982 -13.729 1.00 0.00 C ATOM 288 CD ARG A 19 -7.833 6.299 -12.993 1.00 0.00 C ATOM 289 NE ARG A 19 -7.472 7.440 -13.879 1.00 0.00 N ATOM 290 CZ ARG A 19 -6.218 7.707 -14.123 1.00 0.00 C ATOM 291 NH1 ARG A 19 -5.431 8.079 -13.152 1.00 0.00 N ATOM 292 NH2 ARG A 19 -5.753 7.601 -15.338 1.00 0.00 N ATOM 0 H ARG A 19 -6.061 3.613 -12.356 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.443 4.573 -11.061 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.271 2.936 -13.627 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.491 4.117 -13.196 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.527 4.719 -13.676 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.832 5.090 -14.785 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.880 6.370 -12.699 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.242 6.334 -12.078 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.205 8.013 -14.296 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.796 8.161 -12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.451 8.288 -13.342 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.370 7.310 -16.096 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.773 7.810 -15.529 1.00 0.00 H new ATOM 306 N ILE A 20 -8.014 1.326 -11.229 1.00 0.00 N ATOM 307 CA ILE A 20 -8.570 0.042 -10.716 1.00 0.00 C ATOM 308 C ILE A 20 -8.742 0.120 -9.197 1.00 0.00 C ATOM 309 O ILE A 20 -9.815 -0.104 -8.673 1.00 0.00 O ATOM 310 CB ILE A 20 -7.610 -1.101 -11.065 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.937 -1.627 -12.465 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.757 -2.239 -10.049 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.846 -0.481 -13.474 1.00 0.00 C ATOM 0 H ILE A 20 -7.108 1.253 -11.692 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.541 -0.141 -11.176 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.586 -0.728 -11.039 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.243 -2.422 -12.738 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.938 -2.059 -12.478 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.071 -3.046 -10.305 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.524 -1.868 -9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.781 -2.613 -10.067 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.079 -0.855 -14.471 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.558 0.299 -13.204 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.837 -0.070 -13.467 1.00 0.00 H new ATOM 325 N VAL A 21 -7.691 0.419 -8.486 1.00 0.00 N ATOM 326 CA VAL A 21 -7.794 0.489 -7.001 1.00 0.00 C ATOM 327 C VAL A 21 -8.778 1.588 -6.588 1.00 0.00 C ATOM 328 O VAL A 21 -9.539 1.429 -5.654 1.00 0.00 O ATOM 329 CB VAL A 21 -6.417 0.777 -6.400 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.903 -0.479 -5.696 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.440 1.168 -7.509 1.00 0.00 C ATOM 0 H VAL A 21 -6.766 0.618 -8.868 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.158 -0.468 -6.629 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.499 1.596 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.922 -0.279 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.596 -0.761 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.824 -1.293 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.461 1.372 -7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.357 0.351 -8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.805 2.060 -8.017 1.00 0.00 H new ATOM 341 N ARG A 22 -8.771 2.701 -7.269 1.00 0.00 N ATOM 342 CA ARG A 22 -9.709 3.805 -6.904 1.00 0.00 C ATOM 343 C ARG A 22 -11.119 3.244 -6.700 1.00 0.00 C ATOM 344 O ARG A 22 -11.729 3.425 -5.665 1.00 0.00 O ATOM 345 CB ARG A 22 -9.743 4.831 -8.036 1.00 0.00 C ATOM 346 CG ARG A 22 -8.910 6.056 -7.651 1.00 0.00 C ATOM 347 CD ARG A 22 -8.590 6.867 -8.909 1.00 0.00 C ATOM 348 NE ARG A 22 -8.334 8.287 -8.537 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.041 9.161 -9.461 1.00 0.00 C ATOM 350 NH1 ARG A 22 -8.947 9.522 -10.329 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.842 9.673 -9.518 1.00 0.00 N ATOM 0 H ARG A 22 -8.158 2.895 -8.061 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.368 4.275 -5.982 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.353 4.388 -8.952 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.772 5.129 -8.239 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.457 6.672 -6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.988 5.743 -7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.717 6.449 -9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.421 6.809 -9.612 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.388 8.576 -7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.884 9.121 -10.285 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.718 10.205 -11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.134 9.390 -8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.613 10.356 -10.240 1.00 0.00 H new ATOM 365 N ASN A 23 -11.636 2.565 -7.684 1.00 0.00 N ATOM 366 CA ASN A 23 -12.992 1.986 -7.578 1.00 0.00 C ATOM 367 C ASN A 23 -13.000 0.920 -6.495 1.00 0.00 C ATOM 368 O ASN A 23 -13.774 0.961 -5.562 1.00 0.00 O ATOM 369 CB ASN A 23 -13.294 1.325 -8.907 1.00 0.00 C ATOM 370 CG ASN A 23 -14.705 1.688 -9.368 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.524 0.820 -9.599 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.027 2.943 -9.510 1.00 0.00 N ATOM 0 H ASN A 23 -11.164 2.387 -8.570 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.726 2.754 -7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.566 1.643 -9.654 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.201 0.243 -8.813 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.967 3.197 -9.815 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.339 3.671 -9.316 1.00 0.00 H new ATOM 379 N LEU A 24 -12.133 -0.035 -6.645 1.00 0.00 N ATOM 380 CA LEU A 24 -12.029 -1.152 -5.666 1.00 0.00 C ATOM 381 C LEU A 24 -12.219 -0.619 -4.240 1.00 0.00 C ATOM 382 O LEU A 24 -13.132 -1.008 -3.539 1.00 0.00 O ATOM 383 CB LEU A 24 -10.633 -1.759 -5.814 1.00 0.00 C ATOM 384 CG LEU A 24 -10.571 -3.180 -5.215 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.320 -4.201 -6.331 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.434 -3.293 -4.194 1.00 0.00 C ATOM 0 H LEU A 24 -11.475 -0.092 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.798 -1.901 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.360 -1.795 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.902 -1.121 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.522 -3.379 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.277 -5.203 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.130 -4.151 -7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.375 -3.976 -6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.411 -4.303 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.484 -3.077 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.598 -2.579 -3.387 1.00 0.00 H new ATOM 398 N LEU A 25 -11.372 0.277 -3.810 1.00 0.00 N ATOM 399 CA LEU A 25 -11.513 0.843 -2.435 1.00 0.00 C ATOM 400 C LEU A 25 -12.891 1.490 -2.299 1.00 0.00 C ATOM 401 O LEU A 25 -13.589 1.288 -1.327 1.00 0.00 O ATOM 402 CB LEU A 25 -10.430 1.902 -2.207 1.00 0.00 C ATOM 403 CG LEU A 25 -9.136 1.233 -1.735 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.941 2.089 -2.156 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.146 1.098 -0.209 1.00 0.00 C ATOM 0 H LEU A 25 -10.588 0.642 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.405 0.048 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.249 2.453 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.767 2.625 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.060 0.243 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.018 1.615 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.927 2.185 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.025 3.078 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.223 0.621 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.225 2.087 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.997 0.490 0.097 1.00 0.00 H new ATOM 417 N LYS A 26 -13.284 2.270 -3.264 1.00 0.00 N ATOM 418 CA LYS A 26 -14.608 2.933 -3.189 1.00 0.00 C ATOM 419 C LYS A 26 -15.707 1.886 -3.019 1.00 0.00 C ATOM 420 O LYS A 26 -16.715 2.134 -2.387 1.00 0.00 O ATOM 421 CB LYS A 26 -14.857 3.731 -4.470 1.00 0.00 C ATOM 422 CG LYS A 26 -16.124 4.575 -4.306 1.00 0.00 C ATOM 423 CD LYS A 26 -17.057 4.330 -5.493 1.00 0.00 C ATOM 424 CE LYS A 26 -18.240 5.297 -5.421 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.141 6.283 -6.534 1.00 0.00 N ATOM 0 H LYS A 26 -12.742 2.476 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.620 3.607 -2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.003 4.374 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.965 3.054 -5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.628 4.317 -3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.865 5.632 -4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.516 4.470 -6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.414 3.300 -5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -19.178 4.747 -5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.244 5.814 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.945 6.942 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.252 6.815 -6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.158 5.781 -7.445 1.00 0.00 H new ATOM 439 N GLU A 27 -15.539 0.718 -3.582 1.00 0.00 N ATOM 440 CA GLU A 27 -16.596 -0.313 -3.441 1.00 0.00 C ATOM 441 C GLU A 27 -16.867 -0.551 -1.954 1.00 0.00 C ATOM 442 O GLU A 27 -17.970 -0.877 -1.561 1.00 0.00 O ATOM 443 CB GLU A 27 -16.163 -1.610 -4.151 1.00 0.00 C ATOM 444 CG GLU A 27 -15.589 -2.636 -3.163 1.00 0.00 C ATOM 445 CD GLU A 27 -16.727 -3.342 -2.419 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.612 -3.856 -3.082 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.691 -3.358 -1.200 1.00 0.00 O ATOM 0 H GLU A 27 -14.723 0.440 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.518 0.028 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.018 -2.044 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.415 -1.377 -4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.984 -3.368 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.932 -2.138 -2.450 1.00 0.00 H new ATOM 454 N LEU A 28 -15.875 -0.381 -1.121 1.00 0.00 N ATOM 455 CA LEU A 28 -16.094 -0.591 0.337 1.00 0.00 C ATOM 456 C LEU A 28 -16.761 0.651 0.929 1.00 0.00 C ATOM 457 O LEU A 28 -17.895 0.612 1.361 1.00 0.00 O ATOM 458 CB LEU A 28 -14.753 -0.834 1.033 1.00 0.00 C ATOM 459 CG LEU A 28 -14.957 -1.792 2.210 1.00 0.00 C ATOM 460 CD1 LEU A 28 -15.000 -3.235 1.700 1.00 0.00 C ATOM 461 CD2 LEU A 28 -13.801 -1.642 3.202 1.00 0.00 C ATOM 0 H LEU A 28 -14.929 -0.108 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.736 -1.459 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.036 -1.254 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.338 0.110 1.386 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.898 -1.553 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.145 -3.914 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.824 -3.348 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.061 -3.472 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.949 -2.325 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.861 -1.877 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.769 -0.617 3.571 1.00 0.00 H new ATOM 473 N GLY A 29 -16.065 1.752 0.949 1.00 0.00 N ATOM 474 CA GLY A 29 -16.655 2.991 1.508 1.00 0.00 C ATOM 475 C GLY A 29 -15.562 4.039 1.745 1.00 0.00 C ATOM 476 O GLY A 29 -15.681 4.875 2.615 1.00 0.00 O ATOM 0 H GLY A 29 -15.111 1.844 0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.405 3.386 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.165 2.769 2.445 1.00 0.00 H new ATOM 480 N PHE A 30 -14.505 4.007 0.977 1.00 0.00 N ATOM 481 CA PHE A 30 -13.411 5.010 1.161 1.00 0.00 C ATOM 482 C PHE A 30 -13.536 6.089 0.079 1.00 0.00 C ATOM 483 O PHE A 30 -14.060 5.843 -0.989 1.00 0.00 O ATOM 484 CB PHE A 30 -12.057 4.311 1.024 1.00 0.00 C ATOM 485 CG PHE A 30 -11.864 3.326 2.155 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.756 3.785 3.472 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.777 1.956 1.887 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.563 2.875 4.520 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.583 1.045 2.933 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.475 1.506 4.249 1.00 0.00 C ATOM 0 H PHE A 30 -14.350 3.330 0.230 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.488 5.466 2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.002 3.793 0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.255 5.049 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.821 4.842 3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.860 1.600 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.482 3.231 5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.517 -0.012 2.724 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.324 0.805 5.056 1.00 0.00 H new ATOM 500 N ASN A 31 -13.070 7.283 0.341 1.00 0.00 N ATOM 501 CA ASN A 31 -13.184 8.359 -0.689 1.00 0.00 C ATOM 502 C ASN A 31 -12.026 9.359 -0.561 1.00 0.00 C ATOM 503 O ASN A 31 -12.244 10.540 -0.376 1.00 0.00 O ATOM 504 CB ASN A 31 -14.509 9.100 -0.497 1.00 0.00 C ATOM 505 CG ASN A 31 -14.900 9.801 -1.801 1.00 0.00 C ATOM 506 OD1 ASN A 31 -15.985 9.603 -2.307 1.00 0.00 O ATOM 507 ND2 ASN A 31 -14.055 10.619 -2.366 1.00 0.00 N ATOM 0 H ASN A 31 -12.620 7.558 1.214 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.145 7.902 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.290 8.399 -0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.415 9.831 0.306 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.306 11.093 -3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -13.143 10.785 -1.940 1.00 0.00 H new ATOM 514 N ASN A 32 -10.800 8.910 -0.660 1.00 0.00 N ATOM 515 CA ASN A 32 -9.652 9.862 -0.546 1.00 0.00 C ATOM 516 C ASN A 32 -8.336 9.128 -0.830 1.00 0.00 C ATOM 517 O ASN A 32 -7.803 8.441 0.018 1.00 0.00 O ATOM 518 CB ASN A 32 -9.617 10.451 0.867 1.00 0.00 C ATOM 519 CG ASN A 32 -9.399 11.962 0.783 1.00 0.00 C ATOM 520 OD1 ASN A 32 -10.266 12.764 1.339 1.00 0.00 O flip ATOM 521 ND2 ASN A 32 -8.431 12.419 0.208 1.00 0.00 N flip ATOM 0 H ASN A 32 -10.545 7.934 -0.813 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.777 10.665 -1.273 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.551 10.236 1.386 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.817 9.989 1.446 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.753 11.793 -0.227 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.296 13.429 0.160 1.00 0.00 H new ATOM 528 N VAL A 33 -7.810 9.269 -2.024 1.00 0.00 N ATOM 529 CA VAL A 33 -6.531 8.576 -2.378 1.00 0.00 C ATOM 530 C VAL A 33 -5.641 9.512 -3.203 1.00 0.00 C ATOM 531 O VAL A 33 -6.133 10.345 -3.940 1.00 0.00 O ATOM 532 CB VAL A 33 -6.853 7.340 -3.227 1.00 0.00 C ATOM 533 CG1 VAL A 33 -5.556 6.679 -3.690 1.00 0.00 C ATOM 534 CG2 VAL A 33 -7.671 6.336 -2.412 1.00 0.00 C ATOM 0 H VAL A 33 -8.213 9.836 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.013 8.289 -1.462 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.434 7.653 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.790 5.801 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.980 7.386 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.971 6.377 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.893 5.463 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.100 6.027 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.604 6.801 -2.092 1.00 0.00 H new ATOM 544 N GLU A 34 -4.335 9.363 -3.105 1.00 0.00 N ATOM 545 CA GLU A 34 -3.417 10.225 -3.906 1.00 0.00 C ATOM 546 C GLU A 34 -2.537 9.326 -4.774 1.00 0.00 C ATOM 547 O GLU A 34 -2.749 8.129 -4.841 1.00 0.00 O ATOM 548 CB GLU A 34 -2.561 11.081 -2.975 1.00 0.00 C ATOM 549 CG GLU A 34 -3.232 12.449 -2.822 1.00 0.00 C ATOM 550 CD GLU A 34 -2.979 13.283 -4.078 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.824 13.508 -4.395 1.00 0.00 O ATOM 552 OE2 GLU A 34 -3.948 13.685 -4.704 1.00 0.00 O ATOM 0 H GLU A 34 -3.873 8.681 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.993 10.894 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.459 10.598 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.556 11.195 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.303 12.325 -2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.838 12.963 -1.945 1.00 0.00 H new ATOM 559 N GLU A 35 -1.569 9.883 -5.454 1.00 0.00 N ATOM 560 CA GLU A 35 -0.710 9.044 -6.343 1.00 0.00 C ATOM 561 C GLU A 35 0.742 9.518 -6.305 1.00 0.00 C ATOM 562 O GLU A 35 1.034 10.665 -6.032 1.00 0.00 O ATOM 563 CB GLU A 35 -1.219 9.160 -7.784 1.00 0.00 C ATOM 564 CG GLU A 35 -2.443 8.266 -7.982 1.00 0.00 C ATOM 565 CD GLU A 35 -3.161 8.663 -9.273 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.530 8.618 -10.317 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.330 9.005 -9.196 1.00 0.00 O ATOM 0 H GLU A 35 -1.337 10.876 -5.433 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.757 8.012 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.476 10.196 -8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.432 8.871 -8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.139 7.220 -8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.119 8.363 -7.133 1.00 0.00 H new ATOM 574 N ALA A 36 1.650 8.630 -6.606 1.00 0.00 N ATOM 575 CA ALA A 36 3.095 8.995 -6.626 1.00 0.00 C ATOM 576 C ALA A 36 3.796 8.120 -7.670 1.00 0.00 C ATOM 577 O ALA A 36 3.152 7.399 -8.406 1.00 0.00 O ATOM 578 CB ALA A 36 3.710 8.758 -5.248 1.00 0.00 C ATOM 0 H ALA A 36 1.450 7.658 -6.841 1.00 0.00 H new ATOM 0 HA ALA A 36 3.214 10.048 -6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.766 9.027 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.195 9.372 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.609 7.706 -4.980 1.00 0.00 H new ATOM 584 N GLU A 37 5.101 8.173 -7.748 1.00 0.00 N ATOM 585 CA GLU A 37 5.817 7.338 -8.758 1.00 0.00 C ATOM 586 C GLU A 37 7.142 6.823 -8.191 1.00 0.00 C ATOM 587 O GLU A 37 7.896 6.160 -8.875 1.00 0.00 O ATOM 588 CB GLU A 37 6.098 8.174 -10.007 1.00 0.00 C ATOM 589 CG GLU A 37 6.488 9.596 -9.604 1.00 0.00 C ATOM 590 CD GLU A 37 5.271 10.513 -9.736 1.00 0.00 C ATOM 591 OE1 GLU A 37 4.497 10.576 -8.796 1.00 0.00 O ATOM 592 OE2 GLU A 37 5.133 11.134 -10.778 1.00 0.00 O ATOM 0 H GLU A 37 5.698 8.754 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 37 5.186 6.486 -9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.900 7.718 -10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.215 8.197 -10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.856 9.607 -8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.299 9.956 -10.237 1.00 0.00 H new ATOM 599 N ASP A 38 7.442 7.112 -6.954 1.00 0.00 N ATOM 600 CA ASP A 38 8.725 6.623 -6.375 1.00 0.00 C ATOM 601 C ASP A 38 8.818 7.063 -4.914 1.00 0.00 C ATOM 602 O ASP A 38 7.851 7.514 -4.337 1.00 0.00 O ATOM 603 CB ASP A 38 9.904 7.190 -7.178 1.00 0.00 C ATOM 604 CG ASP A 38 9.465 8.460 -7.911 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.420 9.500 -7.279 1.00 0.00 O ATOM 606 OD2 ASP A 38 9.177 8.368 -9.093 1.00 0.00 O ATOM 0 H ASP A 38 6.859 7.662 -6.323 1.00 0.00 H new ATOM 0 HA ASP A 38 8.760 5.535 -6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.737 7.413 -6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.259 6.449 -7.894 1.00 0.00 H new ATOM 611 N GLY A 39 9.962 6.921 -4.301 1.00 0.00 N ATOM 612 CA GLY A 39 10.088 7.322 -2.870 1.00 0.00 C ATOM 613 C GLY A 39 10.119 8.841 -2.759 1.00 0.00 C ATOM 614 O GLY A 39 9.427 9.421 -1.952 1.00 0.00 O ATOM 0 H GLY A 39 10.810 6.547 -4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.251 6.924 -2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.997 6.899 -2.443 1.00 0.00 H new ATOM 618 N VAL A 40 10.901 9.503 -3.558 1.00 0.00 N ATOM 619 CA VAL A 40 10.927 10.983 -3.463 1.00 0.00 C ATOM 620 C VAL A 40 9.489 11.485 -3.552 1.00 0.00 C ATOM 621 O VAL A 40 9.111 12.443 -2.907 1.00 0.00 O ATOM 622 CB VAL A 40 11.757 11.571 -4.607 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.247 11.030 -5.940 1.00 0.00 C ATOM 624 CG2 VAL A 40 11.632 13.096 -4.596 1.00 0.00 C ATOM 0 H VAL A 40 11.514 9.092 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 40 11.380 11.291 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 40 12.802 11.289 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.839 11.450 -6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.336 9.944 -5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.202 11.310 -6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.223 13.515 -5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.587 13.376 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.998 13.484 -3.645 1.00 0.00 H new ATOM 634 N ASP A 41 8.677 10.827 -4.336 1.00 0.00 N ATOM 635 CA ASP A 41 7.263 11.249 -4.467 1.00 0.00 C ATOM 636 C ASP A 41 6.456 10.727 -3.277 1.00 0.00 C ATOM 637 O ASP A 41 5.684 11.450 -2.680 1.00 0.00 O ATOM 638 CB ASP A 41 6.703 10.678 -5.764 1.00 0.00 C ATOM 639 CG ASP A 41 5.607 11.600 -6.302 1.00 0.00 C ATOM 640 OD1 ASP A 41 4.656 11.848 -5.579 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.740 12.049 -7.429 1.00 0.00 O ATOM 0 H ASP A 41 8.939 10.013 -4.891 1.00 0.00 H new ATOM 0 HA ASP A 41 7.198 12.337 -4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.499 10.575 -6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.299 9.681 -5.589 1.00 0.00 H new ATOM 646 N ALA A 42 6.625 9.480 -2.916 1.00 0.00 N ATOM 647 CA ALA A 42 5.858 8.948 -1.756 1.00 0.00 C ATOM 648 C ALA A 42 6.395 9.584 -0.475 1.00 0.00 C ATOM 649 O ALA A 42 5.669 10.216 0.266 1.00 0.00 O ATOM 650 CB ALA A 42 6.011 7.428 -1.681 1.00 0.00 C ATOM 0 H ALA A 42 7.253 8.817 -3.370 1.00 0.00 H new ATOM 0 HA ALA A 42 4.802 9.189 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.447 7.047 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.631 6.978 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.064 7.174 -1.561 1.00 0.00 H new ATOM 656 N LEU A 43 7.666 9.425 -0.213 1.00 0.00 N ATOM 657 CA LEU A 43 8.265 10.022 1.016 1.00 0.00 C ATOM 658 C LEU A 43 7.762 11.460 1.167 1.00 0.00 C ATOM 659 O LEU A 43 7.263 11.843 2.206 1.00 0.00 O ATOM 660 CB LEU A 43 9.803 10.000 0.893 1.00 0.00 C ATOM 661 CG LEU A 43 10.493 10.639 2.123 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.346 12.169 2.116 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.893 10.087 3.421 1.00 0.00 C ATOM 0 H LEU A 43 8.317 8.905 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 43 7.974 9.448 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.143 8.970 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.102 10.534 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 43 11.552 10.386 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.841 12.586 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.803 12.574 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.289 12.433 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.389 10.547 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.828 10.314 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.035 9.007 3.457 1.00 0.00 H new ATOM 675 N ASN A 44 7.887 12.262 0.141 1.00 0.00 N ATOM 676 CA ASN A 44 7.409 13.670 0.244 1.00 0.00 C ATOM 677 C ASN A 44 5.891 13.687 0.420 1.00 0.00 C ATOM 678 O ASN A 44 5.350 14.487 1.157 1.00 0.00 O ATOM 679 CB ASN A 44 7.774 14.430 -1.033 1.00 0.00 C ATOM 680 CG ASN A 44 9.273 14.734 -1.040 1.00 0.00 C ATOM 681 OD1 ASN A 44 9.829 15.124 -0.033 1.00 0.00 O ATOM 682 ND2 ASN A 44 9.955 14.571 -2.140 1.00 0.00 N ATOM 0 H ASN A 44 8.297 12.004 -0.757 1.00 0.00 H new ATOM 0 HA ASN A 44 7.882 14.146 1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.509 13.838 -1.909 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.205 15.358 -1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.955 14.771 -2.154 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.488 14.243 -2.986 1.00 0.00 H new ATOM 689 N LYS A 45 5.201 12.816 -0.260 1.00 0.00 N ATOM 690 CA LYS A 45 3.716 12.786 -0.145 1.00 0.00 C ATOM 691 C LYS A 45 3.294 11.917 1.043 1.00 0.00 C ATOM 692 O LYS A 45 2.126 11.676 1.256 1.00 0.00 O ATOM 693 CB LYS A 45 3.119 12.213 -1.433 1.00 0.00 C ATOM 694 CG LYS A 45 3.389 13.174 -2.592 1.00 0.00 C ATOM 695 CD LYS A 45 2.185 14.101 -2.778 1.00 0.00 C ATOM 696 CE LYS A 45 2.481 15.104 -3.895 1.00 0.00 C ATOM 697 NZ LYS A 45 2.347 14.428 -5.216 1.00 0.00 N ATOM 0 H LYS A 45 5.601 12.122 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 45 3.351 13.801 0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.556 11.237 -1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.046 12.063 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.285 13.761 -2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.574 12.613 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.298 13.517 -3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.972 14.628 -1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.792 15.947 -3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.488 15.506 -3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.431 15.132 -5.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.098 13.716 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.419 13.963 -5.275 1.00 0.00 H new ATOM 711 N LEU A 46 4.227 11.446 1.824 1.00 0.00 N ATOM 712 CA LEU A 46 3.853 10.602 2.997 1.00 0.00 C ATOM 713 C LEU A 46 3.641 11.507 4.212 1.00 0.00 C ATOM 714 O LEU A 46 2.589 11.504 4.821 1.00 0.00 O ATOM 715 CB LEU A 46 4.978 9.595 3.279 1.00 0.00 C ATOM 716 CG LEU A 46 4.467 8.148 3.149 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.425 7.855 4.226 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.826 7.932 1.775 1.00 0.00 C ATOM 0 H LEU A 46 5.227 11.607 1.703 1.00 0.00 H new ATOM 0 HA LEU A 46 2.933 10.056 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.800 9.758 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.373 9.757 4.282 1.00 0.00 H new ATOM 0 HG LEU A 46 5.318 7.477 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.073 6.829 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.873 7.987 5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.585 8.540 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.469 6.905 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.987 8.618 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.564 8.120 0.995 1.00 0.00 H new ATOM 730 N GLN A 47 4.622 12.292 4.563 1.00 0.00 N ATOM 731 CA GLN A 47 4.458 13.203 5.730 1.00 0.00 C ATOM 732 C GLN A 47 3.491 14.324 5.346 1.00 0.00 C ATOM 733 O GLN A 47 3.237 15.231 6.115 1.00 0.00 O ATOM 734 CB GLN A 47 5.814 13.804 6.113 1.00 0.00 C ATOM 735 CG GLN A 47 6.513 14.332 4.859 1.00 0.00 C ATOM 736 CD GLN A 47 7.359 15.556 5.217 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.513 15.640 4.848 1.00 0.00 O ATOM 738 NE2 GLN A 47 6.830 16.517 5.925 1.00 0.00 N ATOM 0 H GLN A 47 5.527 12.342 4.094 1.00 0.00 H new ATOM 0 HA GLN A 47 4.064 12.646 6.580 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.675 14.612 6.832 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.434 13.049 6.597 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.144 13.555 4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.774 14.597 4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.861 16.448 6.235 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.386 17.337 6.168 1.00 0.00 H new ATOM 747 N ALA A 48 2.955 14.266 4.155 1.00 0.00 N ATOM 748 CA ALA A 48 2.007 15.321 3.704 1.00 0.00 C ATOM 749 C ALA A 48 1.006 15.629 4.818 1.00 0.00 C ATOM 750 O ALA A 48 0.994 16.715 5.366 1.00 0.00 O ATOM 751 CB ALA A 48 1.253 14.834 2.464 1.00 0.00 C ATOM 0 H ALA A 48 3.136 13.529 3.474 1.00 0.00 H new ATOM 0 HA ALA A 48 2.566 16.225 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.559 15.607 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.964 14.620 1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.698 13.928 2.708 1.00 0.00 H new ATOM 757 N GLY A 49 0.167 14.684 5.158 1.00 0.00 N ATOM 758 CA GLY A 49 -0.833 14.926 6.240 1.00 0.00 C ATOM 759 C GLY A 49 -0.967 13.674 7.107 1.00 0.00 C ATOM 760 O GLY A 49 -1.794 13.610 7.996 1.00 0.00 O ATOM 0 H GLY A 49 0.132 13.757 4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.523 15.773 6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.799 15.184 5.805 1.00 0.00 H new ATOM 764 N GLY A 50 -0.167 12.675 6.857 1.00 0.00 N ATOM 765 CA GLY A 50 -0.259 11.430 7.669 1.00 0.00 C ATOM 766 C GLY A 50 -1.210 10.455 6.980 1.00 0.00 C ATOM 767 O GLY A 50 -2.361 10.327 7.348 1.00 0.00 O ATOM 0 H GLY A 50 0.545 12.667 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.727 10.979 7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.618 11.661 8.672 1.00 0.00 H new ATOM 771 N TYR A 51 -0.738 9.776 5.976 1.00 0.00 N ATOM 772 CA TYR A 51 -1.610 8.817 5.252 1.00 0.00 C ATOM 773 C TYR A 51 -1.976 7.657 6.165 1.00 0.00 C ATOM 774 O TYR A 51 -1.159 6.814 6.477 1.00 0.00 O ATOM 775 CB TYR A 51 -0.872 8.288 4.028 1.00 0.00 C ATOM 776 CG TYR A 51 -1.083 9.247 2.891 1.00 0.00 C ATOM 777 CD1 TYR A 51 -0.372 10.449 2.853 1.00 0.00 C ATOM 778 CD2 TYR A 51 -2.005 8.943 1.887 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.582 11.350 1.806 1.00 0.00 C ATOM 780 CE2 TYR A 51 -2.217 9.844 0.840 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.506 11.048 0.802 1.00 0.00 C ATOM 782 OH TYR A 51 -1.710 11.938 -0.228 1.00 0.00 O ATOM 0 H TYR A 51 0.217 9.844 5.625 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.522 9.326 4.939 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.192 8.184 4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.242 7.298 3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.339 10.681 3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.553 8.013 1.920 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.031 12.278 1.773 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.929 9.611 0.062 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.294 12.663 0.077 1.00 0.00 H new ATOM 792 N GLY A 52 -3.203 7.599 6.589 1.00 0.00 N ATOM 793 CA GLY A 52 -3.624 6.488 7.473 1.00 0.00 C ATOM 794 C GLY A 52 -3.363 5.163 6.766 1.00 0.00 C ATOM 795 O GLY A 52 -3.536 4.102 7.332 1.00 0.00 O ATOM 0 H GLY A 52 -3.932 8.275 6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.075 6.527 8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.682 6.582 7.717 1.00 0.00 H new ATOM 799 N PHE A 53 -2.972 5.209 5.519 1.00 0.00 N ATOM 800 CA PHE A 53 -2.737 3.942 4.784 1.00 0.00 C ATOM 801 C PHE A 53 -1.901 4.216 3.525 1.00 0.00 C ATOM 802 O PHE A 53 -2.011 5.259 2.909 1.00 0.00 O ATOM 803 CB PHE A 53 -4.102 3.413 4.391 1.00 0.00 C ATOM 804 CG PHE A 53 -4.131 1.911 4.389 1.00 0.00 C ATOM 805 CD1 PHE A 53 -3.503 1.206 3.369 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.840 1.228 5.378 1.00 0.00 C ATOM 807 CE1 PHE A 53 -3.580 -0.180 3.332 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.913 -0.162 5.348 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.286 -0.872 4.320 1.00 0.00 C ATOM 0 H PHE A 53 -2.808 6.063 4.986 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.195 3.223 5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.853 3.791 5.084 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.366 3.784 3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.955 1.737 2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.332 1.778 6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.093 -0.725 2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.454 -0.691 6.119 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.347 -1.950 4.289 1.00 0.00 H new ATOM 819 N VAL A 54 -1.065 3.290 3.134 1.00 0.00 N ATOM 820 CA VAL A 54 -0.234 3.519 1.913 1.00 0.00 C ATOM 821 C VAL A 54 -0.061 2.211 1.136 1.00 0.00 C ATOM 822 O VAL A 54 0.362 1.206 1.673 1.00 0.00 O ATOM 823 CB VAL A 54 1.141 4.053 2.321 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.019 4.215 1.079 1.00 0.00 C ATOM 825 CG2 VAL A 54 0.979 5.411 3.009 1.00 0.00 C ATOM 0 H VAL A 54 -0.922 2.394 3.601 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.737 4.247 1.276 1.00 0.00 H new ATOM 0 HB VAL A 54 1.611 3.350 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.997 4.595 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.137 3.249 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.549 4.916 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.959 5.791 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.507 6.113 2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.356 5.297 3.896 1.00 0.00 H new ATOM 835 N ILE A 55 -0.382 2.234 -0.133 1.00 0.00 N ATOM 836 CA ILE A 55 -0.237 1.017 -0.983 1.00 0.00 C ATOM 837 C ILE A 55 0.911 1.237 -1.970 1.00 0.00 C ATOM 838 O ILE A 55 1.023 2.284 -2.578 1.00 0.00 O ATOM 839 CB ILE A 55 -1.532 0.783 -1.766 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.731 0.864 -0.818 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.493 -0.602 -2.417 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.024 0.677 -1.615 1.00 0.00 C ATOM 0 H ILE A 55 -0.742 3.055 -0.620 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.030 0.151 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.628 1.547 -2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.652 0.097 -0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.741 1.828 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.415 -0.768 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.643 -0.661 -3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.394 -1.364 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.879 0.734 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.103 1.460 -2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.012 -0.297 -2.104 1.00 0.00 H new ATOM 854 N SER A 56 1.768 0.267 -2.135 1.00 0.00 N ATOM 855 CA SER A 56 2.905 0.435 -3.084 1.00 0.00 C ATOM 856 C SER A 56 3.241 -0.911 -3.727 1.00 0.00 C ATOM 857 O SER A 56 3.273 -1.934 -3.071 1.00 0.00 O ATOM 858 CB SER A 56 4.126 0.960 -2.330 1.00 0.00 C ATOM 859 OG SER A 56 4.692 -0.092 -1.561 1.00 0.00 O ATOM 0 H SER A 56 1.731 -0.632 -1.655 1.00 0.00 H new ATOM 0 HA SER A 56 2.625 1.146 -3.861 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.863 1.348 -3.033 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.839 1.787 -1.680 1.00 0.00 H new ATOM 0 HG SER A 56 5.476 0.242 -1.078 1.00 0.00 H new ATOM 865 N ASP A 57 3.491 -0.920 -5.008 1.00 0.00 N ATOM 866 CA ASP A 57 3.824 -2.198 -5.693 1.00 0.00 C ATOM 867 C ASP A 57 5.231 -2.643 -5.274 1.00 0.00 C ATOM 868 O ASP A 57 5.690 -2.333 -4.192 1.00 0.00 O ATOM 869 CB ASP A 57 3.785 -1.990 -7.209 1.00 0.00 C ATOM 870 CG ASP A 57 2.398 -1.493 -7.620 1.00 0.00 C ATOM 871 OD1 ASP A 57 1.764 -0.833 -6.813 1.00 0.00 O ATOM 872 OD2 ASP A 57 1.993 -1.782 -8.734 1.00 0.00 O ATOM 0 H ASP A 57 3.479 -0.096 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 57 3.099 -2.963 -5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.545 -1.268 -7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.015 -2.924 -7.721 1.00 0.00 H new ATOM 877 N TRP A 58 5.920 -3.359 -6.127 1.00 0.00 N ATOM 878 CA TRP A 58 7.303 -3.818 -5.787 1.00 0.00 C ATOM 879 C TRP A 58 8.319 -2.925 -6.501 1.00 0.00 C ATOM 880 O TRP A 58 7.962 -1.988 -7.187 1.00 0.00 O ATOM 881 CB TRP A 58 7.490 -5.266 -6.246 1.00 0.00 C ATOM 882 CG TRP A 58 8.711 -5.846 -5.601 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.913 -5.999 -6.206 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.871 -6.354 -4.244 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.798 -6.566 -5.307 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.203 -6.805 -4.083 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.998 -6.467 -3.148 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.652 -7.348 -2.877 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.445 -7.013 -1.933 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.770 -7.453 -1.798 1.00 0.00 C ATOM 0 H TRP A 58 5.584 -3.646 -7.046 1.00 0.00 H new ATOM 0 HA TRP A 58 7.452 -3.758 -4.709 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.613 -5.857 -5.983 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.587 -5.304 -7.331 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.143 -5.723 -7.225 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.772 -6.782 -5.521 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.976 -6.131 -3.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.674 -7.684 -2.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.765 -7.094 -1.098 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.108 -7.872 -0.862 1.00 0.00 H new ATOM 901 N ASN A 59 9.584 -3.208 -6.349 1.00 0.00 N ATOM 902 CA ASN A 59 10.621 -2.376 -7.022 1.00 0.00 C ATOM 903 C ASN A 59 10.427 -2.448 -8.540 1.00 0.00 C ATOM 904 O ASN A 59 10.962 -3.313 -9.206 1.00 0.00 O ATOM 905 CB ASN A 59 12.013 -2.898 -6.650 1.00 0.00 C ATOM 906 CG ASN A 59 11.986 -3.447 -5.223 1.00 0.00 C ATOM 907 OD1 ASN A 59 11.106 -3.121 -4.450 1.00 0.00 O ATOM 908 ND2 ASN A 59 12.921 -4.272 -4.835 1.00 0.00 N ATOM 0 H ASN A 59 9.944 -3.980 -5.788 1.00 0.00 H new ATOM 0 HA ASN A 59 10.527 -1.340 -6.697 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.318 -3.679 -7.346 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.747 -2.096 -6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.912 -4.642 -3.885 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.660 -4.546 -5.482 1.00 0.00 H new ATOM 915 N MET A 60 9.659 -1.545 -9.091 1.00 0.00 N ATOM 916 CA MET A 60 9.423 -1.555 -10.563 1.00 0.00 C ATOM 917 C MET A 60 10.382 -0.588 -11.281 1.00 0.00 C ATOM 918 O MET A 60 10.969 -0.959 -12.279 1.00 0.00 O ATOM 919 CB MET A 60 7.974 -1.157 -10.857 1.00 0.00 C ATOM 920 CG MET A 60 7.274 -2.299 -11.597 1.00 0.00 C ATOM 921 SD MET A 60 7.215 -3.761 -10.532 1.00 0.00 S ATOM 922 CE MET A 60 7.485 -4.998 -11.827 1.00 0.00 C ATOM 0 H MET A 60 9.184 -0.799 -8.582 1.00 0.00 H new ATOM 0 HA MET A 60 9.609 -2.563 -10.934 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.450 -0.936 -9.927 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.950 -0.249 -11.460 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.264 -2.000 -11.878 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.807 -2.529 -12.520 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.486 -5.994 -11.384 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.687 -4.930 -12.567 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.445 -4.815 -12.311 1.00 0.00 H new ATOM 932 N PRO A 61 10.525 0.626 -10.780 1.00 0.00 N ATOM 933 CA PRO A 61 11.416 1.614 -11.417 1.00 0.00 C ATOM 934 C PRO A 61 12.869 1.140 -11.323 1.00 0.00 C ATOM 935 O PRO A 61 13.563 1.025 -12.313 1.00 0.00 O ATOM 936 CB PRO A 61 11.208 2.910 -10.618 1.00 0.00 C ATOM 937 CG PRO A 61 10.163 2.617 -9.514 1.00 0.00 C ATOM 938 CD PRO A 61 9.832 1.119 -9.569 1.00 0.00 C ATOM 0 HA PRO A 61 11.197 1.756 -12.475 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.148 3.243 -10.177 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.861 3.711 -11.271 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.557 2.886 -8.534 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.264 3.213 -9.671 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.182 0.603 -8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.757 0.953 -9.633 1.00 0.00 H new ATOM 946 N ASN A 62 13.328 0.857 -10.136 1.00 0.00 N ATOM 947 CA ASN A 62 14.729 0.382 -9.961 1.00 0.00 C ATOM 948 C ASN A 62 14.925 -0.032 -8.503 1.00 0.00 C ATOM 949 O ASN A 62 14.003 -0.475 -7.852 1.00 0.00 O ATOM 950 CB ASN A 62 15.705 1.507 -10.317 1.00 0.00 C ATOM 951 CG ASN A 62 15.442 2.716 -9.417 1.00 0.00 C ATOM 952 OD1 ASN A 62 16.094 2.889 -8.407 1.00 0.00 O ATOM 953 ND2 ASN A 62 14.509 3.567 -9.745 1.00 0.00 N ATOM 0 H ASN A 62 12.789 0.935 -9.274 1.00 0.00 H new ATOM 0 HA ASN A 62 14.919 -0.468 -10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.732 1.164 -10.192 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.587 1.787 -11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.327 4.378 -9.153 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.961 3.422 -10.593 1.00 0.00 H new ATOM 960 N MET A 63 16.112 0.116 -7.979 1.00 0.00 N ATOM 961 CA MET A 63 16.344 -0.262 -6.557 1.00 0.00 C ATOM 962 C MET A 63 15.457 0.610 -5.666 1.00 0.00 C ATOM 963 O MET A 63 15.904 1.577 -5.083 1.00 0.00 O ATOM 964 CB MET A 63 17.815 -0.029 -6.200 1.00 0.00 C ATOM 965 CG MET A 63 18.680 -1.105 -6.858 1.00 0.00 C ATOM 966 SD MET A 63 18.647 -0.892 -8.656 1.00 0.00 S ATOM 967 CE MET A 63 19.363 -2.497 -9.089 1.00 0.00 C ATOM 0 H MET A 63 16.927 0.481 -8.472 1.00 0.00 H new ATOM 0 HA MET A 63 16.101 -1.314 -6.407 1.00 0.00 H new ATOM 0 HB2 MET A 63 18.129 0.959 -6.536 1.00 0.00 H new ATOM 0 HB3 MET A 63 17.945 -0.055 -5.118 1.00 0.00 H new ATOM 0 HG2 MET A 63 19.704 -1.037 -6.492 1.00 0.00 H new ATOM 0 HG3 MET A 63 18.312 -2.096 -6.592 1.00 0.00 H new ATOM 0 HE1 MET A 63 19.436 -2.582 -10.173 1.00 0.00 H new ATOM 0 HE2 MET A 63 20.357 -2.582 -8.650 1.00 0.00 H new ATOM 0 HE3 MET A 63 18.727 -3.295 -8.705 1.00 0.00 H new ATOM 977 N ASP A 64 14.196 0.284 -5.571 1.00 0.00 N ATOM 978 CA ASP A 64 13.275 1.103 -4.737 1.00 0.00 C ATOM 979 C ASP A 64 12.096 0.237 -4.278 1.00 0.00 C ATOM 980 O ASP A 64 12.189 -0.974 -4.238 1.00 0.00 O ATOM 981 CB ASP A 64 12.768 2.279 -5.576 1.00 0.00 C ATOM 982 CG ASP A 64 13.895 3.297 -5.760 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.472 3.699 -4.763 1.00 0.00 O ATOM 984 OD2 ASP A 64 14.162 3.655 -6.895 1.00 0.00 O ATOM 0 H ASP A 64 13.765 -0.515 -6.036 1.00 0.00 H new ATOM 0 HA ASP A 64 13.798 1.480 -3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.422 1.924 -6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.915 2.749 -5.085 1.00 0.00 H new ATOM 989 N GLY A 65 10.990 0.843 -3.926 1.00 0.00 N ATOM 990 CA GLY A 65 9.817 0.044 -3.464 1.00 0.00 C ATOM 991 C GLY A 65 10.146 -0.583 -2.108 1.00 0.00 C ATOM 992 O GLY A 65 9.655 -0.157 -1.080 1.00 0.00 O ATOM 0 H GLY A 65 10.850 1.853 -3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.937 0.681 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.581 -0.733 -4.191 1.00 0.00 H new ATOM 996 N LEU A 66 10.993 -1.579 -2.085 1.00 0.00 N ATOM 997 CA LEU A 66 11.363 -2.194 -0.782 1.00 0.00 C ATOM 998 C LEU A 66 12.136 -1.146 0.013 1.00 0.00 C ATOM 999 O LEU A 66 11.907 -0.943 1.189 1.00 0.00 O ATOM 1000 CB LEU A 66 12.242 -3.433 -1.019 1.00 0.00 C ATOM 1001 CG LEU A 66 12.090 -4.436 0.138 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.411 -3.750 1.465 1.00 0.00 C ATOM 1003 CD2 LEU A 66 10.657 -4.983 0.188 1.00 0.00 C ATOM 0 H LEU A 66 11.440 -1.988 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 66 10.474 -2.510 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.963 -3.909 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.286 -3.132 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 66 12.783 -5.261 -0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.302 -4.465 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.435 -3.378 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.725 -2.917 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.566 -5.691 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.958 -4.160 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.427 -5.487 -0.751 1.00 0.00 H new ATOM 1015 N GLU A 67 13.033 -0.452 -0.633 1.00 0.00 N ATOM 1016 CA GLU A 67 13.796 0.609 0.074 1.00 0.00 C ATOM 1017 C GLU A 67 12.819 1.721 0.450 1.00 0.00 C ATOM 1018 O GLU A 67 12.998 2.422 1.426 1.00 0.00 O ATOM 1019 CB GLU A 67 14.886 1.165 -0.845 1.00 0.00 C ATOM 1020 CG GLU A 67 15.831 2.052 -0.033 1.00 0.00 C ATOM 1021 CD GLU A 67 16.307 3.218 -0.901 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.644 2.979 -2.048 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.326 4.331 -0.402 1.00 0.00 O ATOM 0 H GLU A 67 13.268 -0.575 -1.618 1.00 0.00 H new ATOM 0 HA GLU A 67 14.271 0.203 0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.442 0.348 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.436 1.739 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.321 2.429 0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.685 1.470 0.314 1.00 0.00 H new ATOM 1030 N LEU A 68 11.766 1.863 -0.311 1.00 0.00 N ATOM 1031 CA LEU A 68 10.748 2.901 0.001 1.00 0.00 C ATOM 1032 C LEU A 68 10.085 2.511 1.317 1.00 0.00 C ATOM 1033 O LEU A 68 10.144 3.221 2.298 1.00 0.00 O ATOM 1034 CB LEU A 68 9.674 2.908 -1.103 1.00 0.00 C ATOM 1035 CG LEU A 68 9.712 4.185 -1.954 1.00 0.00 C ATOM 1036 CD1 LEU A 68 10.608 3.944 -3.169 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.292 4.509 -2.437 1.00 0.00 C ATOM 0 H LEU A 68 11.569 1.300 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 68 11.212 3.885 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.816 2.041 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.689 2.808 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 68 10.100 5.014 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.642 4.846 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.615 3.694 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.207 3.120 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.311 5.415 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.914 3.681 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.641 4.662 -1.576 1.00 0.00 H new ATOM 1049 N LEU A 69 9.466 1.367 1.334 1.00 0.00 N ATOM 1050 CA LEU A 69 8.799 0.886 2.571 1.00 0.00 C ATOM 1051 C LEU A 69 9.827 0.855 3.705 1.00 0.00 C ATOM 1052 O LEU A 69 9.715 1.567 4.679 1.00 0.00 O ATOM 1053 CB LEU A 69 8.275 -0.524 2.314 1.00 0.00 C ATOM 1054 CG LEU A 69 6.809 -0.660 2.743 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.304 -2.056 2.383 1.00 0.00 C ATOM 1056 CD2 LEU A 69 6.687 -0.507 4.255 1.00 0.00 C ATOM 0 H LEU A 69 9.393 0.738 0.534 1.00 0.00 H new ATOM 0 HA LEU A 69 7.975 1.544 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.370 -0.762 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.884 -1.246 2.859 1.00 0.00 H new ATOM 0 HG LEU A 69 6.229 0.111 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.262 -2.156 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.384 -2.205 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.905 -2.805 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.642 -0.605 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.276 -1.281 4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.056 0.475 4.552 1.00 0.00 H new ATOM 1068 N LYS A 70 10.834 0.033 3.581 1.00 0.00 N ATOM 1069 CA LYS A 70 11.878 -0.039 4.646 1.00 0.00 C ATOM 1070 C LYS A 70 12.261 1.379 5.080 1.00 0.00 C ATOM 1071 O LYS A 70 12.458 1.648 6.247 1.00 0.00 O ATOM 1072 CB LYS A 70 13.116 -0.760 4.109 1.00 0.00 C ATOM 1073 CG LYS A 70 14.144 -0.917 5.233 1.00 0.00 C ATOM 1074 CD LYS A 70 15.355 -1.694 4.713 1.00 0.00 C ATOM 1075 CE LYS A 70 15.190 -3.179 5.040 1.00 0.00 C ATOM 1076 NZ LYS A 70 15.479 -3.405 6.485 1.00 0.00 N ATOM 0 H LYS A 70 10.980 -0.592 2.788 1.00 0.00 H new ATOM 0 HA LYS A 70 11.484 -0.589 5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.838 -1.738 3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.548 -0.196 3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.455 0.063 5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.698 -1.442 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.453 -1.557 3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.269 -1.310 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.176 -3.503 4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.865 -3.775 4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.701 -4.409 6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.291 -2.822 6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.647 -3.142 7.051 1.00 0.00 H new ATOM 1090 N THR A 71 12.354 2.293 4.151 1.00 0.00 N ATOM 1091 CA THR A 71 12.708 3.691 4.524 1.00 0.00 C ATOM 1092 C THR A 71 11.544 4.303 5.305 1.00 0.00 C ATOM 1093 O THR A 71 11.735 4.990 6.289 1.00 0.00 O ATOM 1094 CB THR A 71 12.971 4.513 3.258 1.00 0.00 C ATOM 1095 OG1 THR A 71 14.190 4.089 2.667 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.066 5.995 3.621 1.00 0.00 C ATOM 0 H THR A 71 12.201 2.132 3.155 1.00 0.00 H new ATOM 0 HA THR A 71 13.607 3.693 5.140 1.00 0.00 H new ATOM 0 HB THR A 71 12.154 4.367 2.552 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.121 3.144 2.418 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.253 6.579 2.720 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.130 6.319 4.076 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.883 6.145 4.327 1.00 0.00 H new ATOM 1104 N ILE A 72 10.334 4.047 4.881 1.00 0.00 N ATOM 1105 CA ILE A 72 9.157 4.598 5.609 1.00 0.00 C ATOM 1106 C ILE A 72 9.233 4.146 7.068 1.00 0.00 C ATOM 1107 O ILE A 72 8.683 4.769 7.954 1.00 0.00 O ATOM 1108 CB ILE A 72 7.867 4.068 4.971 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.658 4.724 3.600 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.682 4.400 5.868 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.654 3.912 2.763 1.00 0.00 C ATOM 0 H ILE A 72 10.112 3.480 4.062 1.00 0.00 H new ATOM 0 HA ILE A 72 9.158 5.687 5.556 1.00 0.00 H new ATOM 0 HB ILE A 72 7.947 2.988 4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.293 5.743 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.610 4.791 3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.765 4.023 5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.822 3.934 6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.609 5.481 5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.517 4.391 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.035 2.901 2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.698 3.868 3.284 1.00 0.00 H new ATOM 1123 N ARG A 73 9.920 3.065 7.320 1.00 0.00 N ATOM 1124 CA ARG A 73 10.046 2.561 8.717 1.00 0.00 C ATOM 1125 C ARG A 73 11.281 3.189 9.369 1.00 0.00 C ATOM 1126 O ARG A 73 11.346 3.349 10.572 1.00 0.00 O ATOM 1127 CB ARG A 73 10.206 1.035 8.688 1.00 0.00 C ATOM 1128 CG ARG A 73 9.211 0.373 9.649 1.00 0.00 C ATOM 1129 CD ARG A 73 9.599 0.685 11.099 1.00 0.00 C ATOM 1130 NE ARG A 73 8.825 -0.197 12.018 1.00 0.00 N ATOM 1131 CZ ARG A 73 8.984 -1.493 11.969 1.00 0.00 C ATOM 1132 NH1 ARG A 73 10.076 -1.997 11.465 1.00 0.00 N ATOM 1133 NH2 ARG A 73 8.048 -2.282 12.421 1.00 0.00 N ATOM 0 H ARG A 73 10.401 2.507 6.615 1.00 0.00 H new ATOM 0 HA ARG A 73 9.156 2.826 9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.044 0.665 7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.225 0.765 8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.202 0.734 9.448 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.201 -0.705 9.490 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.668 0.530 11.243 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.396 1.732 11.325 1.00 0.00 H new ATOM 0 HE ARG A 73 8.171 0.211 12.686 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.806 -1.380 11.109 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.200 -3.009 11.427 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.193 -1.887 12.812 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.172 -3.294 12.383 1.00 0.00 H new ATOM 1147 N ALA A 74 12.262 3.543 8.582 1.00 0.00 N ATOM 1148 CA ALA A 74 13.496 4.157 9.151 1.00 0.00 C ATOM 1149 C ALA A 74 13.114 5.241 10.162 1.00 0.00 C ATOM 1150 O ALA A 74 13.837 5.511 11.099 1.00 0.00 O ATOM 1151 CB ALA A 74 14.321 4.781 8.023 1.00 0.00 C ATOM 0 H ALA A 74 12.261 3.433 7.568 1.00 0.00 H new ATOM 0 HA ALA A 74 14.084 3.388 9.652 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.223 5.230 8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.597 4.009 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.731 5.549 7.522 1.00 0.00 H new ATOM 1157 N ASP A 75 11.984 5.863 9.978 1.00 0.00 N ATOM 1158 CA ASP A 75 11.557 6.927 10.928 1.00 0.00 C ATOM 1159 C ASP A 75 11.346 6.317 12.317 1.00 0.00 C ATOM 1160 O ASP A 75 11.658 5.167 12.555 1.00 0.00 O ATOM 1161 CB ASP A 75 10.250 7.552 10.436 1.00 0.00 C ATOM 1162 CG ASP A 75 10.427 9.065 10.308 1.00 0.00 C ATOM 1163 OD1 ASP A 75 11.284 9.480 9.543 1.00 0.00 O ATOM 1164 OD2 ASP A 75 9.705 9.785 10.977 1.00 0.00 O ATOM 0 H ASP A 75 11.337 5.681 9.211 1.00 0.00 H new ATOM 0 HA ASP A 75 12.327 7.696 10.986 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.970 7.125 9.473 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.442 7.327 11.132 1.00 0.00 H new ATOM 1169 N GLY A 76 10.826 7.081 13.239 1.00 0.00 N ATOM 1170 CA GLY A 76 10.602 6.549 14.615 1.00 0.00 C ATOM 1171 C GLY A 76 9.676 5.332 14.557 1.00 0.00 C ATOM 1172 O GLY A 76 9.438 4.768 13.508 1.00 0.00 O ATOM 0 H GLY A 76 10.546 8.052 13.099 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.554 6.271 15.067 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.163 7.322 15.246 1.00 0.00 H new ATOM 1176 N ALA A 77 9.153 4.923 15.683 1.00 0.00 N ATOM 1177 CA ALA A 77 8.243 3.742 15.696 1.00 0.00 C ATOM 1178 C ALA A 77 6.874 4.149 15.151 1.00 0.00 C ATOM 1179 O ALA A 77 5.884 3.481 15.369 1.00 0.00 O ATOM 1180 CB ALA A 77 8.092 3.230 17.129 1.00 0.00 C ATOM 0 H ALA A 77 9.317 5.355 16.592 1.00 0.00 H new ATOM 0 HA ALA A 77 8.662 2.953 15.072 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.427 2.367 17.139 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.069 2.940 17.517 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.673 4.018 17.755 1.00 0.00 H new ATOM 1186 N MET A 78 6.813 5.239 14.437 1.00 0.00 N ATOM 1187 CA MET A 78 5.511 5.686 13.870 1.00 0.00 C ATOM 1188 C MET A 78 5.332 5.066 12.487 1.00 0.00 C ATOM 1189 O MET A 78 4.227 4.831 12.041 1.00 0.00 O ATOM 1190 CB MET A 78 5.502 7.213 13.752 1.00 0.00 C ATOM 1191 CG MET A 78 4.059 7.721 13.787 1.00 0.00 C ATOM 1192 SD MET A 78 3.541 7.948 15.507 1.00 0.00 S ATOM 1193 CE MET A 78 1.972 8.783 15.162 1.00 0.00 C ATOM 0 H MET A 78 7.609 5.839 14.222 1.00 0.00 H new ATOM 0 HA MET A 78 4.697 5.371 14.523 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.074 7.654 14.568 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.984 7.519 12.823 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.981 8.663 13.245 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.400 7.011 13.288 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.472 9.021 16.101 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.163 9.703 14.609 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.335 8.128 14.568 1.00 0.00 H new ATOM 1203 N SER A 79 6.415 4.799 11.806 1.00 0.00 N ATOM 1204 CA SER A 79 6.314 4.192 10.450 1.00 0.00 C ATOM 1205 C SER A 79 5.246 4.934 9.646 1.00 0.00 C ATOM 1206 O SER A 79 5.287 6.140 9.508 1.00 0.00 O ATOM 1207 CB SER A 79 5.924 2.720 10.579 1.00 0.00 C ATOM 1208 OG SER A 79 6.086 2.080 9.319 1.00 0.00 O ATOM 0 H SER A 79 7.365 4.976 12.132 1.00 0.00 H new ATOM 0 HA SER A 79 7.275 4.268 9.941 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.544 2.232 11.331 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.890 2.633 10.914 1.00 0.00 H new ATOM 0 HG SER A 79 5.838 1.135 9.398 1.00 0.00 H new ATOM 1214 N ALA A 80 4.286 4.225 9.123 1.00 0.00 N ATOM 1215 CA ALA A 80 3.215 4.893 8.339 1.00 0.00 C ATOM 1216 C ALA A 80 1.917 4.103 8.466 1.00 0.00 C ATOM 1217 O ALA A 80 1.298 3.755 7.479 1.00 0.00 O ATOM 1218 CB ALA A 80 3.615 4.969 6.869 1.00 0.00 C ATOM 0 H ALA A 80 4.198 3.212 9.205 1.00 0.00 H new ATOM 0 HA ALA A 80 3.070 5.901 8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.824 5.460 6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.539 5.539 6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.768 3.962 6.481 1.00 0.00 H new ATOM 1224 N LEU A 81 1.482 3.848 9.672 1.00 0.00 N ATOM 1225 CA LEU A 81 0.214 3.114 9.874 1.00 0.00 C ATOM 1226 C LEU A 81 0.187 1.909 8.879 1.00 0.00 C ATOM 1227 O LEU A 81 1.236 1.568 8.371 1.00 0.00 O ATOM 1228 CB LEU A 81 -0.918 4.139 9.715 1.00 0.00 C ATOM 1229 CG LEU A 81 -0.469 5.521 10.259 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -0.078 6.480 9.121 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -1.620 6.147 11.059 1.00 0.00 C ATOM 0 H LEU A 81 1.961 4.123 10.529 1.00 0.00 H new ATOM 0 HA LEU A 81 0.098 2.671 10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.195 4.226 8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.804 3.799 10.251 1.00 0.00 H new ATOM 0 HG LEU A 81 0.404 5.365 10.892 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.231 7.437 9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.746 6.051 8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.934 6.632 8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.310 7.119 11.444 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.487 6.274 10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.882 5.494 11.892 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.939 1.235 8.649 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.936 0.043 7.765 1.00 0.00 C ATOM 1245 C PRO A 82 -0.516 0.325 6.320 1.00 0.00 C ATOM 1246 O PRO A 82 -0.734 1.387 5.765 1.00 0.00 O ATOM 1247 CB PRO A 82 -2.370 -0.484 7.788 1.00 0.00 C ATOM 1248 CG PRO A 82 -3.189 0.419 8.736 1.00 0.00 C ATOM 1249 CD PRO A 82 -2.275 1.560 9.204 1.00 0.00 C ATOM 0 HA PRO A 82 -0.198 -0.669 8.134 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.797 -0.473 6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.392 -1.518 8.132 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.064 0.817 8.223 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.553 -0.153 9.589 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.630 2.524 8.840 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.246 1.621 10.292 1.00 0.00 H new ATOM 1257 N VAL A 83 0.052 -0.682 5.708 1.00 0.00 N ATOM 1258 CA VAL A 83 0.476 -0.595 4.287 1.00 0.00 C ATOM 1259 C VAL A 83 0.043 -1.874 3.602 1.00 0.00 C ATOM 1260 O VAL A 83 0.214 -2.950 4.143 1.00 0.00 O ATOM 1261 CB VAL A 83 2.001 -0.522 4.167 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.435 -1.065 2.792 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.467 0.922 4.286 1.00 0.00 C ATOM 0 H VAL A 83 0.242 -1.582 6.149 1.00 0.00 H new ATOM 0 HA VAL A 83 0.034 0.297 3.843 1.00 0.00 H new ATOM 0 HB VAL A 83 2.444 -1.117 4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.520 -1.013 2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.112 -2.101 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.980 -0.465 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.553 0.962 4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.017 1.516 3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.165 1.323 5.254 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.462 -1.775 2.409 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.846 -3.003 1.678 1.00 0.00 C ATOM 1275 C LEU A 84 0.013 -3.100 0.429 1.00 0.00 C ATOM 1276 O LEU A 84 -0.407 -2.796 -0.670 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.335 -2.983 1.326 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.705 -4.229 0.512 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.323 -5.499 1.272 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.207 -4.242 0.264 1.00 0.00 C ATOM 0 H LEU A 84 -0.624 -0.899 1.912 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.680 -3.879 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.931 -2.946 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.569 -2.084 0.755 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.163 -4.200 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.593 -6.373 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.249 -5.503 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.855 -5.528 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.473 -5.127 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.733 -4.261 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.492 -3.347 -0.290 1.00 0.00 H new ATOM 1292 N MET A 85 1.229 -3.531 0.600 1.00 0.00 N ATOM 1293 CA MET A 85 2.128 -3.670 -0.564 1.00 0.00 C ATOM 1294 C MET A 85 1.495 -4.693 -1.493 1.00 0.00 C ATOM 1295 O MET A 85 0.648 -5.461 -1.085 1.00 0.00 O ATOM 1296 CB MET A 85 3.501 -4.155 -0.088 1.00 0.00 C ATOM 1297 CG MET A 85 4.544 -3.973 -1.198 1.00 0.00 C ATOM 1298 SD MET A 85 5.889 -5.169 -0.972 1.00 0.00 S ATOM 1299 CE MET A 85 4.946 -6.679 -1.314 1.00 0.00 C ATOM 0 H MET A 85 1.635 -3.792 1.498 1.00 0.00 H new ATOM 0 HA MET A 85 2.265 -2.720 -1.081 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.803 -3.599 0.799 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.444 -5.205 0.198 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.079 -4.113 -2.174 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.939 -2.957 -1.176 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.585 -7.399 -1.826 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.594 -7.109 -0.376 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.091 -6.439 -1.946 1.00 0.00 H new ATOM 1309 N VAL A 86 1.855 -4.703 -2.735 1.00 0.00 N ATOM 1310 CA VAL A 86 1.226 -5.675 -3.656 1.00 0.00 C ATOM 1311 C VAL A 86 2.209 -6.051 -4.771 1.00 0.00 C ATOM 1312 O VAL A 86 2.958 -5.233 -5.255 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.043 -5.028 -4.210 1.00 0.00 C ATOM 1314 CG1 VAL A 86 0.307 -3.707 -4.897 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.727 -5.964 -5.199 1.00 0.00 C ATOM 0 H VAL A 86 2.552 -4.086 -3.152 1.00 0.00 H new ATOM 0 HA VAL A 86 0.965 -6.599 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.728 -4.833 -3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.601 -3.250 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.770 -3.033 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.002 -3.895 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.629 -5.489 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.049 -6.180 -6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.993 -6.894 -4.696 1.00 0.00 H new ATOM 1325 N THR A 87 2.212 -7.290 -5.178 1.00 0.00 N ATOM 1326 CA THR A 87 3.149 -7.710 -6.260 1.00 0.00 C ATOM 1327 C THR A 87 2.535 -8.857 -7.063 1.00 0.00 C ATOM 1328 O THR A 87 1.484 -9.366 -6.729 1.00 0.00 O ATOM 1329 CB THR A 87 4.472 -8.171 -5.644 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.293 -8.729 -6.661 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.200 -9.224 -4.570 1.00 0.00 C ATOM 0 H THR A 87 1.610 -8.027 -4.811 1.00 0.00 H new ATOM 0 HA THR A 87 3.331 -6.864 -6.922 1.00 0.00 H new ATOM 0 HB THR A 87 4.979 -7.319 -5.191 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.142 -9.024 -6.271 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.144 -9.550 -4.133 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.569 -8.795 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.693 -10.078 -5.018 1.00 0.00 H new ATOM 1339 N ALA A 88 3.195 -9.270 -8.115 1.00 0.00 N ATOM 1340 CA ALA A 88 2.669 -10.389 -8.948 1.00 0.00 C ATOM 1341 C ALA A 88 3.489 -11.652 -8.677 1.00 0.00 C ATOM 1342 O ALA A 88 2.959 -12.742 -8.595 1.00 0.00 O ATOM 1343 CB ALA A 88 2.785 -10.018 -10.428 1.00 0.00 C ATOM 0 H ALA A 88 4.081 -8.877 -8.433 1.00 0.00 H new ATOM 0 HA ALA A 88 1.624 -10.571 -8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.401 -10.835 -11.039 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.206 -9.115 -10.623 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.831 -9.839 -10.677 1.00 0.00 H new ATOM 1349 N GLU A 89 4.779 -11.513 -8.536 1.00 0.00 N ATOM 1350 CA GLU A 89 5.634 -12.704 -8.269 1.00 0.00 C ATOM 1351 C GLU A 89 5.585 -13.042 -6.778 1.00 0.00 C ATOM 1352 O GLU A 89 5.167 -14.113 -6.387 1.00 0.00 O ATOM 1353 CB GLU A 89 7.078 -12.395 -8.670 1.00 0.00 C ATOM 1354 CG GLU A 89 7.536 -13.385 -9.742 1.00 0.00 C ATOM 1355 CD GLU A 89 8.969 -13.055 -10.161 1.00 0.00 C ATOM 1356 OE1 GLU A 89 9.306 -11.882 -10.176 1.00 0.00 O ATOM 1357 OE2 GLU A 89 9.706 -13.981 -10.461 1.00 0.00 O ATOM 0 H GLU A 89 5.278 -10.625 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 89 5.267 -13.551 -8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.151 -11.375 -9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.730 -12.460 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.483 -14.404 -9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.873 -13.335 -10.605 1.00 0.00 H new ATOM 1364 N ALA A 90 6.009 -12.133 -5.944 1.00 0.00 N ATOM 1365 CA ALA A 90 5.989 -12.395 -4.478 1.00 0.00 C ATOM 1366 C ALA A 90 6.675 -13.730 -4.187 1.00 0.00 C ATOM 1367 O ALA A 90 6.078 -14.784 -4.294 1.00 0.00 O ATOM 1368 CB ALA A 90 4.542 -12.447 -3.986 1.00 0.00 C ATOM 0 H ALA A 90 6.369 -11.218 -6.216 1.00 0.00 H new ATOM 0 HA ALA A 90 6.519 -11.595 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.529 -12.639 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.054 -11.494 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.010 -13.245 -4.504 1.00 0.00 H new ATOM 1374 N LYS A 91 7.924 -13.693 -3.811 1.00 0.00 N ATOM 1375 CA LYS A 91 8.648 -14.956 -3.503 1.00 0.00 C ATOM 1376 C LYS A 91 8.565 -15.223 -2.000 1.00 0.00 C ATOM 1377 O LYS A 91 8.915 -14.385 -1.193 1.00 0.00 O ATOM 1378 CB LYS A 91 10.115 -14.818 -3.922 1.00 0.00 C ATOM 1379 CG LYS A 91 10.454 -15.887 -4.964 1.00 0.00 C ATOM 1380 CD LYS A 91 11.896 -15.700 -5.438 1.00 0.00 C ATOM 1381 CE LYS A 91 11.919 -14.761 -6.646 1.00 0.00 C ATOM 1382 NZ LYS A 91 13.331 -14.498 -7.044 1.00 0.00 N ATOM 0 H LYS A 91 8.474 -12.841 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 91 8.196 -15.785 -4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.294 -13.825 -4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.764 -14.925 -3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.327 -16.881 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.770 -15.815 -5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.504 -15.288 -4.633 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.330 -16.664 -5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.373 -15.207 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.418 -13.824 -6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.347 -13.860 -7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.838 -14.055 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.794 -15.395 -7.294 1.00 0.00 H new ATOM 1396 N LYS A 92 8.093 -16.380 -1.616 1.00 0.00 N ATOM 1397 CA LYS A 92 7.978 -16.697 -0.164 1.00 0.00 C ATOM 1398 C LYS A 92 9.266 -16.289 0.555 1.00 0.00 C ATOM 1399 O LYS A 92 9.271 -16.031 1.743 1.00 0.00 O ATOM 1400 CB LYS A 92 7.748 -18.200 0.013 1.00 0.00 C ATOM 1401 CG LYS A 92 6.323 -18.552 -0.421 1.00 0.00 C ATOM 1402 CD LYS A 92 5.430 -18.676 0.814 1.00 0.00 C ATOM 1403 CE LYS A 92 3.978 -18.879 0.377 1.00 0.00 C ATOM 1404 NZ LYS A 92 3.914 -19.971 -0.636 1.00 0.00 N ATOM 0 H LYS A 92 7.782 -17.119 -2.247 1.00 0.00 H new ATOM 0 HA LYS A 92 7.138 -16.148 0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.470 -18.762 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.903 -18.482 1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.934 -17.783 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.322 -19.488 -0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.756 -19.515 1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.514 -17.779 1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.359 -19.130 1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.580 -17.955 -0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.940 -20.331 -0.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.206 -19.602 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.551 -20.743 -0.355 1.00 0.00 H new ATOM 1418 N GLU A 93 10.359 -16.232 -0.154 1.00 0.00 N ATOM 1419 CA GLU A 93 11.641 -15.845 0.480 1.00 0.00 C ATOM 1420 C GLU A 93 11.769 -14.320 0.505 1.00 0.00 C ATOM 1421 O GLU A 93 12.375 -13.752 1.392 1.00 0.00 O ATOM 1422 CB GLU A 93 12.803 -16.444 -0.316 1.00 0.00 C ATOM 1423 CG GLU A 93 12.684 -17.969 -0.326 1.00 0.00 C ATOM 1424 CD GLU A 93 14.000 -18.582 -0.807 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.900 -17.824 -1.131 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.086 -19.798 -0.845 1.00 0.00 O ATOM 0 H GLU A 93 10.415 -16.439 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 93 11.666 -16.222 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.794 -16.061 -1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.753 -16.146 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.446 -18.332 0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.868 -18.276 -0.980 1.00 0.00 H new ATOM 1433 N ASN A 94 11.207 -13.650 -0.466 1.00 0.00 N ATOM 1434 CA ASN A 94 11.300 -12.162 -0.501 1.00 0.00 C ATOM 1435 C ASN A 94 10.118 -11.551 0.256 1.00 0.00 C ATOM 1436 O ASN A 94 10.120 -10.382 0.588 1.00 0.00 O ATOM 1437 CB ASN A 94 11.269 -11.688 -1.956 1.00 0.00 C ATOM 1438 CG ASN A 94 12.698 -11.594 -2.495 1.00 0.00 C ATOM 1439 OD1 ASN A 94 13.214 -10.513 -2.700 1.00 0.00 O ATOM 1440 ND2 ASN A 94 13.365 -12.690 -2.736 1.00 0.00 N ATOM 0 H ASN A 94 10.687 -14.070 -1.237 1.00 0.00 H new ATOM 0 HA ASN A 94 12.231 -11.847 -0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.686 -12.381 -2.562 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.780 -10.716 -2.022 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.318 -12.638 -3.096 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.933 -13.598 -2.564 1.00 0.00 H new ATOM 1447 N ILE A 95 9.105 -12.328 0.528 1.00 0.00 N ATOM 1448 CA ILE A 95 7.925 -11.785 1.260 1.00 0.00 C ATOM 1449 C ILE A 95 8.265 -11.629 2.745 1.00 0.00 C ATOM 1450 O ILE A 95 7.454 -11.190 3.535 1.00 0.00 O ATOM 1451 CB ILE A 95 6.743 -12.746 1.102 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.248 -12.705 -0.345 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.610 -12.327 2.041 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.278 -13.863 -0.590 1.00 0.00 C ATOM 0 H ILE A 95 9.043 -13.314 0.275 1.00 0.00 H new ATOM 0 HA ILE A 95 7.660 -10.811 0.849 1.00 0.00 H new ATOM 0 HB ILE A 95 7.062 -13.758 1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.753 -11.755 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.092 -12.774 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.770 -13.012 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.963 -12.354 3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.289 -11.315 1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.927 -13.831 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.788 -14.809 -0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.427 -13.774 0.086 1.00 0.00 H new ATOM 1466 N ILE A 96 9.458 -11.985 3.133 1.00 0.00 N ATOM 1467 CA ILE A 96 9.840 -11.857 4.568 1.00 0.00 C ATOM 1468 C ILE A 96 10.450 -10.480 4.819 1.00 0.00 C ATOM 1469 O ILE A 96 9.972 -9.718 5.636 1.00 0.00 O ATOM 1470 CB ILE A 96 10.861 -12.940 4.922 1.00 0.00 C ATOM 1471 CG1 ILE A 96 10.222 -14.321 4.748 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.312 -12.765 6.373 1.00 0.00 C ATOM 1473 CD1 ILE A 96 11.318 -15.383 4.644 1.00 0.00 C ATOM 0 H ILE A 96 10.184 -12.358 2.521 1.00 0.00 H new ATOM 0 HA ILE A 96 8.952 -11.975 5.189 1.00 0.00 H new ATOM 0 HB ILE A 96 11.724 -12.853 4.262 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.568 -14.540 5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.601 -14.336 3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.039 -13.537 6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.769 -11.783 6.496 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.450 -12.850 7.035 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.862 -16.365 4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.954 -15.167 3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.920 -15.374 5.552 1.00 0.00 H new ATOM 1485 N ALA A 97 11.504 -10.157 4.124 1.00 0.00 N ATOM 1486 CA ALA A 97 12.149 -8.827 4.320 1.00 0.00 C ATOM 1487 C ALA A 97 11.077 -7.742 4.343 1.00 0.00 C ATOM 1488 O ALA A 97 11.009 -6.938 5.252 1.00 0.00 O ATOM 1489 CB ALA A 97 13.124 -8.560 3.172 1.00 0.00 C ATOM 0 H ALA A 97 11.948 -10.756 3.428 1.00 0.00 H new ATOM 0 HA ALA A 97 12.692 -8.820 5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.596 -7.588 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.889 -9.336 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.582 -8.565 2.226 1.00 0.00 H new ATOM 1495 N ALA A 98 10.234 -7.714 3.352 1.00 0.00 N ATOM 1496 CA ALA A 98 9.162 -6.685 3.319 1.00 0.00 C ATOM 1497 C ALA A 98 8.441 -6.654 4.669 1.00 0.00 C ATOM 1498 O ALA A 98 8.318 -5.619 5.292 1.00 0.00 O ATOM 1499 CB ALA A 98 8.159 -7.027 2.215 1.00 0.00 C ATOM 0 H ALA A 98 10.241 -8.360 2.563 1.00 0.00 H new ATOM 0 HA ALA A 98 9.604 -5.709 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.373 -6.272 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.671 -7.049 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.718 -8.004 2.414 1.00 0.00 H new ATOM 1505 N ALA A 99 7.954 -7.776 5.124 1.00 0.00 N ATOM 1506 CA ALA A 99 7.232 -7.801 6.424 1.00 0.00 C ATOM 1507 C ALA A 99 8.103 -7.180 7.520 1.00 0.00 C ATOM 1508 O ALA A 99 7.615 -6.490 8.392 1.00 0.00 O ATOM 1509 CB ALA A 99 6.903 -9.249 6.796 1.00 0.00 C ATOM 0 H ALA A 99 8.026 -8.676 4.650 1.00 0.00 H new ATOM 0 HA ALA A 99 6.311 -7.226 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.374 -9.269 7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.274 -9.689 6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.827 -9.821 6.882 1.00 0.00 H new ATOM 1515 N GLN A 100 9.383 -7.424 7.488 1.00 0.00 N ATOM 1516 CA GLN A 100 10.276 -6.850 8.535 1.00 0.00 C ATOM 1517 C GLN A 100 10.189 -5.322 8.511 1.00 0.00 C ATOM 1518 O GLN A 100 10.576 -4.654 9.450 1.00 0.00 O ATOM 1519 CB GLN A 100 11.717 -7.283 8.263 1.00 0.00 C ATOM 1520 CG GLN A 100 12.483 -7.373 9.583 1.00 0.00 C ATOM 1521 CD GLN A 100 12.286 -8.761 10.195 1.00 0.00 C ATOM 1522 OE1 GLN A 100 11.166 -9.399 9.988 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 13.159 -9.270 10.869 1.00 0.00 N flip ATOM 0 H GLN A 100 9.850 -7.995 6.784 1.00 0.00 H new ATOM 0 HA GLN A 100 9.963 -7.211 9.515 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.728 -8.249 7.758 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.202 -6.569 7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.543 -7.186 9.414 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.130 -6.606 10.273 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.034 -8.772 11.031 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.017 -10.196 11.273 1.00 0.00 H new ATOM 1532 N ALA A 101 9.692 -4.763 7.442 1.00 0.00 N ATOM 1533 CA ALA A 101 9.586 -3.277 7.348 1.00 0.00 C ATOM 1534 C ALA A 101 8.177 -2.821 7.749 1.00 0.00 C ATOM 1535 O ALA A 101 7.814 -2.828 8.909 1.00 0.00 O ATOM 1536 CB ALA A 101 9.863 -2.845 5.905 1.00 0.00 C ATOM 0 H ALA A 101 9.353 -5.272 6.626 1.00 0.00 H new ATOM 0 HA ALA A 101 10.313 -2.823 8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.787 -1.760 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.866 -3.160 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.133 -3.307 5.240 1.00 0.00 H new ATOM 1542 N GLY A 102 7.391 -2.427 6.783 1.00 0.00 N ATOM 1543 CA GLY A 102 6.002 -1.963 7.047 1.00 0.00 C ATOM 1544 C GLY A 102 5.056 -2.689 6.090 1.00 0.00 C ATOM 1545 O GLY A 102 3.864 -2.481 6.094 1.00 0.00 O ATOM 0 H GLY A 102 7.662 -2.408 5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.725 -2.168 8.081 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.930 -0.885 6.905 1.00 0.00 H new ATOM 1549 N ALA A 103 5.607 -3.551 5.290 1.00 0.00 N ATOM 1550 CA ALA A 103 4.830 -4.366 4.305 1.00 0.00 C ATOM 1551 C ALA A 103 3.700 -5.147 4.992 1.00 0.00 C ATOM 1552 O ALA A 103 3.147 -6.063 4.418 1.00 0.00 O ATOM 1553 CB ALA A 103 5.779 -5.327 3.599 1.00 0.00 C ATOM 0 H ALA A 103 6.610 -3.736 5.274 1.00 0.00 H new ATOM 0 HA ALA A 103 4.371 -3.695 3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.221 -5.926 2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.551 -4.760 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.244 -5.984 4.334 1.00 0.00 H new ATOM 1559 N SER A 104 3.420 -4.838 6.234 1.00 0.00 N ATOM 1560 CA SER A 104 2.384 -5.587 7.035 1.00 0.00 C ATOM 1561 C SER A 104 1.278 -6.163 6.146 1.00 0.00 C ATOM 1562 O SER A 104 0.749 -7.219 6.431 1.00 0.00 O ATOM 1563 CB SER A 104 1.732 -4.624 8.036 1.00 0.00 C ATOM 1564 OG SER A 104 2.674 -4.283 9.045 1.00 0.00 O ATOM 0 H SER A 104 3.874 -4.080 6.744 1.00 0.00 H new ATOM 0 HA SER A 104 2.890 -6.410 7.540 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.390 -3.725 7.523 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.854 -5.088 8.485 1.00 0.00 H new ATOM 0 HG SER A 104 2.260 -3.667 9.684 1.00 0.00 H new ATOM 1570 N GLY A 105 0.937 -5.501 5.078 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.125 -6.032 4.171 1.00 0.00 C ATOM 1572 C GLY A 105 0.494 -6.372 2.812 1.00 0.00 C ATOM 1573 O GLY A 105 1.089 -5.530 2.168 1.00 0.00 O ATOM 0 H GLY A 105 1.347 -4.612 4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.582 -6.920 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.917 -5.293 4.048 1.00 0.00 H new ATOM 1577 N TYR A 106 0.349 -7.598 2.365 1.00 0.00 N ATOM 1578 CA TYR A 106 0.919 -7.991 1.039 1.00 0.00 C ATOM 1579 C TYR A 106 -0.075 -8.869 0.287 1.00 0.00 C ATOM 1580 O TYR A 106 -0.354 -9.982 0.686 1.00 0.00 O ATOM 1581 CB TYR A 106 2.215 -8.786 1.216 1.00 0.00 C ATOM 1582 CG TYR A 106 2.231 -9.932 0.217 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.250 -9.675 -1.167 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.220 -11.256 0.675 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.256 -10.742 -2.075 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.228 -12.317 -0.236 1.00 0.00 C ATOM 1587 CZ TYR A 106 2.247 -12.061 -1.609 1.00 0.00 C ATOM 1588 OH TYR A 106 2.251 -13.111 -2.504 1.00 0.00 O ATOM 0 H TYR A 106 -0.140 -8.342 2.862 1.00 0.00 H new ATOM 0 HA TYR A 106 1.123 -7.077 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.078 -8.139 1.061 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.285 -9.172 2.233 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.260 -8.657 -1.528 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.205 -11.458 1.736 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.268 -10.546 -3.137 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.219 -13.336 0.123 1.00 0.00 H new ATOM 0 HH TYR A 106 2.245 -13.959 -2.013 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.579 -8.385 -0.813 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.529 -9.187 -1.631 1.00 0.00 C ATOM 1600 C VAL A 107 -0.865 -9.482 -2.973 1.00 0.00 C ATOM 1601 O VAL A 107 -0.214 -8.635 -3.551 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.816 -8.390 -1.856 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.468 -6.949 -2.230 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.620 -9.032 -2.990 1.00 0.00 C ATOM 0 H VAL A 107 -0.371 -7.458 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.778 -10.117 -1.119 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.409 -8.393 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.386 -6.383 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.895 -6.492 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.874 -6.944 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.537 -8.466 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.026 -9.029 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.870 -10.059 -2.723 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.007 -10.672 -3.475 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.364 -10.990 -4.775 1.00 0.00 C ATOM 1616 C VAL A 108 -1.298 -10.568 -5.921 1.00 0.00 C ATOM 1617 O VAL A 108 -2.272 -11.234 -6.211 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.101 -12.495 -4.865 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.295 -13.261 -4.293 1.00 0.00 C ATOM 1620 CG2 VAL A 108 0.099 -12.888 -6.331 1.00 0.00 C ATOM 0 H VAL A 108 -1.535 -11.432 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 108 0.581 -10.452 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 108 0.794 -12.741 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.105 -14.332 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.441 -12.981 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.191 -13.016 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.287 -13.960 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.797 -12.640 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.950 -12.344 -6.741 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.017 -9.467 -6.572 1.00 0.00 N ATOM 1631 CA LYS A 109 -1.903 -9.014 -7.691 1.00 0.00 C ATOM 1632 C LYS A 109 -1.871 -10.062 -8.818 1.00 0.00 C ATOM 1633 O LYS A 109 -0.922 -10.814 -8.913 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.400 -7.647 -8.205 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.824 -7.753 -9.629 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.247 -6.396 -10.039 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.073 -6.353 -11.558 1.00 0.00 C ATOM 1638 NZ LYS A 109 0.733 -5.157 -11.933 1.00 0.00 N ATOM 0 H LYS A 109 -0.217 -8.864 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.930 -8.906 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.221 -6.930 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.635 -7.263 -7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.048 -8.518 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.603 -8.057 -10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.911 -5.594 -9.716 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.712 -6.233 -9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.421 -7.261 -11.904 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.047 -6.315 -12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.851 -5.128 -12.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.244 -4.296 -11.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.667 -5.212 -11.479 1.00 0.00 H new ATOM 1652 N PRO A 110 -2.876 -10.063 -9.676 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.053 -9.163 -9.599 1.00 0.00 C ATOM 1654 C PRO A 110 -5.002 -9.630 -8.488 1.00 0.00 C ATOM 1655 O PRO A 110 -4.998 -10.786 -8.112 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.759 -9.332 -10.953 1.00 0.00 C ATOM 1657 CG PRO A 110 -3.961 -10.379 -11.770 1.00 0.00 C ATOM 1658 CD PRO A 110 -2.876 -10.953 -10.848 1.00 0.00 C ATOM 0 HA PRO A 110 -3.766 -8.133 -9.388 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.788 -9.662 -10.810 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.800 -8.381 -11.485 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.620 -11.171 -12.126 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.512 -9.918 -12.650 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.100 -11.981 -10.565 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.903 -10.962 -11.339 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.818 -8.747 -7.970 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.771 -9.152 -6.894 1.00 0.00 C ATOM 1668 C PHE A 111 -8.137 -8.553 -7.154 1.00 0.00 C ATOM 1669 O PHE A 111 -8.283 -7.524 -7.783 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.310 -8.641 -5.527 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.963 -7.176 -5.635 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.972 -6.203 -5.640 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.629 -6.794 -5.767 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.626 -4.854 -5.784 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.287 -5.446 -5.902 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.288 -4.475 -5.915 1.00 0.00 C ATOM 0 H PHE A 111 -5.865 -7.766 -8.245 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.811 -10.241 -6.895 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.097 -8.787 -4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.443 -9.208 -5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.007 -6.491 -5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.854 -7.546 -5.765 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.400 -4.101 -5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.251 -5.157 -5.996 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.029 -3.432 -6.026 1.00 0.00 H new ATOM 1686 N THR A 112 -9.126 -9.178 -6.611 1.00 0.00 N ATOM 1687 CA THR A 112 -10.507 -8.663 -6.732 1.00 0.00 C ATOM 1688 C THR A 112 -10.814 -7.973 -5.410 1.00 0.00 C ATOM 1689 O THR A 112 -10.252 -8.324 -4.392 1.00 0.00 O ATOM 1690 CB THR A 112 -11.480 -9.824 -6.952 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.804 -10.887 -7.611 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.656 -9.354 -7.810 1.00 0.00 C ATOM 0 H THR A 112 -9.037 -10.042 -6.077 1.00 0.00 H new ATOM 0 HA THR A 112 -10.608 -7.980 -7.575 1.00 0.00 H new ATOM 0 HB THR A 112 -11.854 -10.172 -5.989 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.425 -11.632 -7.751 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.347 -10.182 -7.965 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.174 -8.540 -7.303 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.286 -9.005 -8.774 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.667 -6.993 -5.396 1.00 0.00 N ATOM 1701 CA ALA A 113 -11.951 -6.313 -4.106 1.00 0.00 C ATOM 1702 C ALA A 113 -12.227 -7.368 -3.042 1.00 0.00 C ATOM 1703 O ALA A 113 -12.139 -7.108 -1.862 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.161 -5.394 -4.248 1.00 0.00 C ATOM 0 H ALA A 113 -12.173 -6.637 -6.207 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.090 -5.710 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.358 -4.902 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.959 -4.641 -5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.032 -5.981 -4.540 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.532 -8.565 -3.454 1.00 0.00 N ATOM 1711 CA ALA A 114 -12.781 -9.639 -2.462 1.00 0.00 C ATOM 1712 C ALA A 114 -11.445 -10.035 -1.842 1.00 0.00 C ATOM 1713 O ALA A 114 -11.326 -10.168 -0.640 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.412 -10.848 -3.155 1.00 0.00 C ATOM 0 H ALA A 114 -12.619 -8.843 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.464 -9.287 -1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.593 -11.634 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.357 -10.553 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.737 -11.219 -3.926 1.00 0.00 H new ATOM 1720 N THR A 115 -10.429 -10.198 -2.645 1.00 0.00 N ATOM 1721 CA THR A 115 -9.106 -10.552 -2.074 1.00 0.00 C ATOM 1722 C THR A 115 -8.610 -9.359 -1.264 1.00 0.00 C ATOM 1723 O THR A 115 -8.452 -9.451 -0.062 1.00 0.00 O ATOM 1724 CB THR A 115 -8.112 -10.879 -3.190 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.692 -10.563 -4.444 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.767 -12.369 -3.145 1.00 0.00 C ATOM 0 H THR A 115 -10.460 -10.102 -3.660 1.00 0.00 H new ATOM 0 HA THR A 115 -9.197 -11.432 -1.438 1.00 0.00 H new ATOM 0 HB THR A 115 -7.203 -10.293 -3.053 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.169 -11.346 -4.790 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.059 -12.603 -3.940 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.322 -12.610 -2.180 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.674 -12.957 -3.283 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.373 -8.230 -1.892 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.904 -7.060 -1.105 1.00 0.00 C ATOM 1736 C LEU A 116 -8.780 -6.872 0.144 1.00 0.00 C ATOM 1737 O LEU A 116 -8.298 -6.472 1.186 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.976 -5.799 -1.966 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.697 -4.987 -1.754 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.495 -5.712 -2.377 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.839 -3.606 -2.396 1.00 0.00 C ATOM 0 H LEU A 116 -8.483 -8.076 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.874 -7.237 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.085 -6.065 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.849 -5.206 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.534 -4.876 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.592 -5.122 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.377 -6.689 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.662 -5.840 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.923 -3.036 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.018 -3.719 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.677 -3.078 -1.941 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.061 -7.138 0.059 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.936 -6.948 1.251 1.00 0.00 C ATOM 1755 C GLU A 117 -10.668 -8.032 2.298 1.00 0.00 C ATOM 1756 O GLU A 117 -10.310 -7.746 3.424 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.406 -7.014 0.835 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.289 -7.010 2.086 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.718 -6.624 1.702 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -14.871 -5.727 0.889 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.636 -7.231 2.227 1.00 0.00 O ATOM 0 H GLU A 117 -10.533 -7.476 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.715 -5.972 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.654 -6.164 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.590 -7.915 0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.280 -7.995 2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.896 -6.306 2.819 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.866 -9.269 1.936 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.658 -10.395 2.898 1.00 0.00 C ATOM 1770 C GLU A 118 -9.406 -10.159 3.748 1.00 0.00 C ATOM 1771 O GLU A 118 -9.364 -10.514 4.909 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.502 -11.702 2.118 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.553 -12.889 3.085 1.00 0.00 C ATOM 1774 CD GLU A 118 -11.971 -13.035 3.641 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -12.906 -12.830 2.885 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -12.097 -13.349 4.813 1.00 0.00 O ATOM 0 H GLU A 118 -11.167 -9.554 1.004 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.522 -10.453 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.295 -11.791 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.556 -11.703 1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.257 -13.803 2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.845 -12.738 3.900 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.386 -9.577 3.188 1.00 0.00 N ATOM 1784 CA LYS A 119 -7.146 -9.339 3.980 1.00 0.00 C ATOM 1785 C LYS A 119 -7.324 -8.110 4.873 1.00 0.00 C ATOM 1786 O LYS A 119 -7.128 -8.167 6.070 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.968 -9.114 3.033 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.641 -10.420 2.307 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.685 -10.138 1.146 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.438 -9.424 1.670 1.00 0.00 C ATOM 1791 NZ LYS A 119 -3.017 -10.039 2.961 1.00 0.00 N ATOM 0 H LYS A 119 -8.355 -9.256 2.220 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.951 -10.210 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.212 -8.335 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.099 -8.769 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.188 -11.129 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.556 -10.879 1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.404 -11.071 0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.180 -9.522 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.631 -9.496 0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.646 -8.363 1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.007 -9.851 3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.574 -9.630 3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.176 -11.066 2.924 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.687 -6.996 4.300 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.867 -5.765 5.119 1.00 0.00 C ATOM 1807 C LEU A 120 -8.699 -6.085 6.359 1.00 0.00 C ATOM 1808 O LEU A 120 -8.393 -5.653 7.449 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.591 -4.701 4.292 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.209 -3.308 4.799 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -6.997 -2.794 4.020 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.386 -2.352 4.599 1.00 0.00 C ATOM 0 H LEU A 120 -7.866 -6.885 3.302 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.888 -5.394 5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.326 -4.801 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.669 -4.842 4.364 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.961 -3.364 5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -6.726 -1.802 4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.157 -3.474 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.243 -2.739 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.114 -1.360 4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.634 -2.297 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.249 -2.717 5.155 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.757 -6.826 6.199 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.618 -7.164 7.365 1.00 0.00 C ATOM 1826 C ASN A 121 -9.775 -7.784 8.482 1.00 0.00 C ATOM 1827 O ASN A 121 -9.907 -7.433 9.638 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.691 -8.160 6.922 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.881 -7.402 6.330 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.762 -6.772 5.299 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -14.034 -7.440 6.942 1.00 0.00 N ATOM 0 H ASN A 121 -10.064 -7.214 5.307 1.00 0.00 H new ATOM 0 HA ASN A 121 -11.087 -6.255 7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.280 -8.848 6.183 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -12.016 -8.762 7.771 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.834 -6.941 6.554 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -14.134 -7.969 7.808 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.916 -8.704 8.150 1.00 0.00 N ATOM 1839 CA LYS A 122 -8.072 -9.349 9.197 1.00 0.00 C ATOM 1840 C LYS A 122 -7.175 -8.299 9.855 1.00 0.00 C ATOM 1841 O LYS A 122 -7.116 -8.186 11.064 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.203 -10.434 8.553 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.603 -11.337 9.639 1.00 0.00 C ATOM 1844 CD LYS A 122 -7.707 -12.148 10.331 1.00 0.00 C ATOM 1845 CE LYS A 122 -7.171 -13.535 10.691 1.00 0.00 C ATOM 1846 NZ LYS A 122 -5.866 -13.398 11.397 1.00 0.00 N ATOM 0 H LYS A 122 -8.760 -9.039 7.199 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.715 -9.798 9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.801 -11.029 7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.406 -9.974 7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.871 -12.012 9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.074 -10.730 10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -8.043 -11.632 11.230 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.572 -12.240 9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -7.886 -14.059 11.325 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -7.047 -14.134 9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.768 -14.161 12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.090 -13.459 10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.828 -12.478 11.881 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.478 -7.533 9.068 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.581 -6.488 9.637 1.00 0.00 C ATOM 1862 C ILE A 123 -6.413 -5.468 10.420 1.00 0.00 C ATOM 1863 O ILE A 123 -5.975 -4.924 11.415 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.852 -5.780 8.487 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.935 -6.780 7.779 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.012 -4.613 9.022 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.381 -6.150 6.499 1.00 0.00 C ATOM 0 H ILE A 123 -6.490 -7.584 8.049 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.856 -6.949 10.308 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.591 -5.390 7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.116 -7.068 8.438 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.487 -7.689 7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.502 -4.122 8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.662 -3.896 9.523 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.274 -4.990 9.730 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.728 -6.863 5.996 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.206 -5.884 5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.814 -5.254 6.751 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.601 -5.193 9.965 1.00 0.00 N ATOM 1880 CA PHE A 124 -8.462 -4.196 10.659 1.00 0.00 C ATOM 1881 C PHE A 124 -9.326 -4.871 11.718 1.00 0.00 C ATOM 1882 O PHE A 124 -10.057 -4.217 12.436 1.00 0.00 O ATOM 1883 CB PHE A 124 -9.332 -3.496 9.617 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.583 -2.329 9.003 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.169 -2.282 8.970 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -9.319 -1.267 8.480 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.526 -1.171 8.425 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.667 -0.165 7.928 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.279 -0.117 7.905 1.00 0.00 C ATOM 0 H PHE A 124 -8.016 -5.619 9.136 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.836 -3.463 11.168 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.618 -4.203 8.838 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -10.253 -3.142 10.081 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -6.590 -3.103 9.365 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -10.398 -1.298 8.502 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.447 -1.126 8.405 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -9.242 0.652 7.518 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.779 0.742 7.482 1.00 0.00 H new ATOM 1899 N GLU A 125 -9.232 -6.160 11.857 1.00 0.00 N ATOM 1900 CA GLU A 125 -10.036 -6.829 12.911 1.00 0.00 C ATOM 1901 C GLU A 125 -9.292 -6.661 14.232 1.00 0.00 C ATOM 1902 O GLU A 125 -9.878 -6.630 15.296 1.00 0.00 O ATOM 1903 CB GLU A 125 -10.203 -8.315 12.587 1.00 0.00 C ATOM 1904 CG GLU A 125 -11.026 -8.988 13.688 1.00 0.00 C ATOM 1905 CD GLU A 125 -11.711 -10.234 13.124 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -11.007 -11.173 12.791 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -12.927 -10.226 13.032 1.00 0.00 O ATOM 0 H GLU A 125 -8.642 -6.773 11.295 1.00 0.00 H new ATOM 0 HA GLU A 125 -11.030 -6.386 12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -10.698 -8.435 11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -9.226 -8.792 12.505 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.381 -9.261 14.523 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -11.772 -8.294 14.075 1.00 0.00 H new ATOM 1914 N LYS A 126 -7.997 -6.520 14.158 1.00 0.00 N ATOM 1915 CA LYS A 126 -7.190 -6.315 15.389 1.00 0.00 C ATOM 1916 C LYS A 126 -6.974 -4.813 15.561 1.00 0.00 C ATOM 1917 O LYS A 126 -6.706 -4.329 16.643 1.00 0.00 O ATOM 1918 CB LYS A 126 -5.840 -7.018 15.242 1.00 0.00 C ATOM 1919 CG LYS A 126 -6.061 -8.518 15.041 1.00 0.00 C ATOM 1920 CD LYS A 126 -4.734 -9.259 15.222 1.00 0.00 C ATOM 1921 CE LYS A 126 -4.978 -10.767 15.156 1.00 0.00 C ATOM 1922 NZ LYS A 126 -5.950 -11.066 14.067 1.00 0.00 N ATOM 0 H LYS A 126 -7.462 -6.538 13.290 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.705 -6.727 16.257 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -5.294 -6.604 14.395 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -5.231 -6.846 16.129 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -6.796 -8.887 15.756 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -6.462 -8.707 14.045 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -4.030 -8.960 14.446 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.285 -8.994 16.179 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -4.039 -11.290 14.974 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.363 -11.126 16.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -5.902 -12.077 13.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -6.912 -10.831 14.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -5.715 -10.499 13.227 1.00 0.00 H new ATOM 1936 N LEU A 127 -7.105 -4.068 14.494 1.00 0.00 N ATOM 1937 CA LEU A 127 -6.923 -2.595 14.582 1.00 0.00 C ATOM 1938 C LEU A 127 -8.264 -1.950 14.936 1.00 0.00 C ATOM 1939 O LEU A 127 -8.319 -0.975 15.659 1.00 0.00 O ATOM 1940 CB LEU A 127 -6.417 -2.049 13.237 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.200 -1.153 13.477 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.716 -0.578 12.146 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.582 -0.004 14.413 1.00 0.00 C ATOM 0 H LEU A 127 -7.331 -4.421 13.564 1.00 0.00 H new ATOM 0 HA LEU A 127 -6.188 -2.361 15.352 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -6.151 -2.873 12.575 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.206 -1.484 12.741 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.405 -1.744 13.931 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.849 0.060 12.319 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.439 -1.393 11.477 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.514 0.009 11.692 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.713 0.632 14.582 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.380 0.584 13.960 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.926 -0.409 15.365 1.00 0.00 H new ATOM 1955 N GLY A 128 -9.349 -2.498 14.444 1.00 0.00 N ATOM 1956 CA GLY A 128 -10.692 -1.924 14.761 1.00 0.00 C ATOM 1957 C GLY A 128 -10.642 -0.394 14.681 1.00 0.00 C ATOM 1958 O GLY A 128 -10.580 0.285 15.687 1.00 0.00 O ATOM 0 H GLY A 128 -9.361 -3.318 13.837 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -11.435 -2.309 14.062 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -11.003 -2.234 15.759 1.00 0.00 H new ATOM 1962 N MET A 129 -10.666 0.155 13.497 1.00 0.00 N ATOM 1963 CA MET A 129 -10.618 1.633 13.361 1.00 0.00 C ATOM 1964 C MET A 129 -12.042 2.193 13.369 1.00 0.00 C ATOM 1965 O MET A 129 -12.960 1.426 13.125 1.00 0.00 O ATOM 1966 CB MET A 129 -9.937 1.987 12.041 1.00 0.00 C ATOM 1967 CG MET A 129 -8.505 1.447 12.039 1.00 0.00 C ATOM 1968 SD MET A 129 -7.377 2.720 11.417 1.00 0.00 S ATOM 1969 CE MET A 129 -7.453 3.821 12.852 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.191 3.378 13.617 1.00 0.00 O ATOM 0 H MET A 129 -10.717 -0.360 12.618 1.00 0.00 H new ATOM 0 HA MET A 129 -10.059 2.063 14.192 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.497 1.564 11.207 1.00 0.00 H new ATOM 0 HB3 MET A 129 -9.929 3.068 11.903 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.216 1.152 13.047 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.443 0.555 11.415 1.00 0.00 H new ATOM 0 HE1 MET A 129 -6.521 4.380 12.931 1.00 0.00 H new ATOM 0 HE2 MET A 129 -8.284 4.516 12.734 1.00 0.00 H new ATOM 0 HE3 MET A 129 -7.600 3.230 13.756 1.00 0.00 H new