USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 865 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 82 GLN :FLIP amide:sc= -0.336 F(o=-1,f=-0.34) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -13:sc= 0.638 USER MOD Single : A 52 LYS NZ :NH3+ -173:sc=-0.00556 (180deg=-0.0206) USER MOD Single : A 62 THR OG1 : rot -62:sc= -0.0626! USER MOD Single : A 63 ASN : amide:sc= -1.7! C(o=-1.7!,f=-8.5!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 25:sc= 0.293! USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.9) USER MOD Single : A 73 GLN : amide:sc= -0.801 K(o=-0.8,f=-6.3!) USER MOD Single : A 74 SER OG : rot 132:sc= 0.0471 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 79 ASN : amide:sc= -1.86! C(o=-1.9!,f=-13!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -4.36! C(o=-4.4!,f=-7.9!) USER MOD Single : A 92 TYR OH : rot 165:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= -1.93 (180deg=-2.05) USER MOD Single : A 94 HIS : no HD1:sc= -6.05! C(o=-6!,f=-11!) USER MOD Single : A 95 ASN :FLIP amide:sc= -1.64! C(o=-4.7!,f=-1.6!) USER MOD Single : A 96 ASN : amide:sc= -0.811 X(o=-0.81,f=-0.93) USER MOD Single : A 97 MET CE :methyl -146:sc= -0.295 (180deg=-2.03!) USER MOD Single : A 99 SER OG : rot 180:sc= -0.444 USER MOD Single : A 103 GLN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 105 ASN : amide:sc= -5.14! C(o=-5.1!,f=-13!) USER MOD Single : A 106 MET CE :methyl -172:sc= -0.085 (180deg=-0.129) USER MOD Single : A 107 TYR OH : rot -147:sc= 1.68 USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.658 F(o=-1.5!,f=-0.66) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot -72:sc= 0.616 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN :FLIP amide:sc= -0.158 F(o=-0.97,f=-0.16) USER MOD Single : A 130 SER OG : rot -50:sc= 0.859 USER MOD Single : A 131 HIS : no HE2:sc= -2.44 K(o=-2.4,f=-4.5!) USER MOD Single : A 135 LYS NZ :NH3+ -122:sc= -0.886 (180deg=-6.22!) USER MOD Single : A 137 ASN : amide:sc= -1.67 K(o=-1.7,f=-3!) USER MOD Single : A 138 SER OG : rot -111:sc= 0.153! USER MOD Single : A 144 GLN : amide:sc= -5.26! C(o=-5.3!,f=-12!) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ -143:sc= -0.271 (180deg=-1.21!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 43 22.721 0.845 -1.271 1.00 0.00 N ATOM 2 CA GLY A 43 23.063 0.405 0.111 1.00 0.00 C ATOM 3 C GLY A 43 22.913 1.583 1.075 1.00 0.00 C ATOM 4 O GLY A 43 23.623 2.564 0.986 1.00 0.00 O ATOM 0 HA2 GLY A 43 22.410 -0.413 0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 43 24.084 0.025 0.141 1.00 0.00 H new ATOM 8 N SER A 44 21.994 1.493 1.997 1.00 0.00 N ATOM 9 CA SER A 44 21.799 2.609 2.966 1.00 0.00 C ATOM 10 C SER A 44 20.862 2.155 4.086 1.00 0.00 C ATOM 11 O SER A 44 21.295 1.761 5.151 1.00 0.00 O ATOM 12 CB SER A 44 21.186 3.810 2.244 1.00 0.00 C ATOM 13 OG SER A 44 22.159 4.387 1.383 1.00 0.00 O ATOM 0 H SER A 44 21.370 0.696 2.121 1.00 0.00 H new ATOM 0 HA SER A 44 22.762 2.893 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 44 20.314 3.497 1.669 1.00 0.00 H new ATOM 0 HB3 SER A 44 20.842 4.548 2.969 1.00 0.00 H new ATOM 0 HG SER A 44 23.043 4.023 1.598 1.00 0.00 H new ATOM 19 N GLY A 45 19.578 2.207 3.853 1.00 0.00 N ATOM 20 CA GLY A 45 18.608 1.778 4.904 1.00 0.00 C ATOM 21 C GLY A 45 17.285 1.385 4.245 1.00 0.00 C ATOM 22 O GLY A 45 16.356 2.166 4.179 1.00 0.00 O ATOM 0 H GLY A 45 19.158 2.528 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 45 19.012 0.935 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 45 18.446 2.587 5.617 1.00 0.00 H new ATOM 26 N VAL A 46 17.193 0.178 3.752 1.00 0.00 N ATOM 27 CA VAL A 46 15.934 -0.275 3.092 1.00 0.00 C ATOM 28 C VAL A 46 15.751 -1.781 3.337 1.00 0.00 C ATOM 29 O VAL A 46 16.009 -2.575 2.454 1.00 0.00 O ATOM 30 CB VAL A 46 16.043 -0.024 1.587 1.00 0.00 C ATOM 31 CG1 VAL A 46 14.716 -0.375 0.914 1.00 0.00 C ATOM 32 CG2 VAL A 46 16.369 1.450 1.338 1.00 0.00 C ATOM 0 H VAL A 46 17.940 -0.516 3.778 1.00 0.00 H new ATOM 0 HA VAL A 46 15.084 0.272 3.500 1.00 0.00 H new ATOM 0 HB VAL A 46 16.836 -0.646 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.793 -0.196 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 46 14.485 -1.425 1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.922 0.246 1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.447 1.629 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 46 15.577 2.073 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.316 1.699 1.817 1.00 0.00 H new ATOM 42 N PRO A 47 15.323 -2.147 4.529 1.00 0.00 N ATOM 43 CA PRO A 47 15.128 -3.569 4.870 1.00 0.00 C ATOM 44 C PRO A 47 14.107 -4.202 3.915 1.00 0.00 C ATOM 45 O PRO A 47 13.296 -3.522 3.319 1.00 0.00 O ATOM 46 CB PRO A 47 14.623 -3.564 6.334 1.00 0.00 C ATOM 47 CG PRO A 47 14.657 -2.088 6.831 1.00 0.00 C ATOM 48 CD PRO A 47 15.002 -1.197 5.618 1.00 0.00 C ATOM 0 HA PRO A 47 16.040 -4.158 4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 47 13.612 -3.966 6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.254 -4.195 6.960 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.693 -1.804 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 47 15.399 -1.966 7.620 1.00 0.00 H new ATOM 0 HD2 PRO A 47 14.164 -0.555 5.348 1.00 0.00 H new ATOM 0 HD3 PRO A 47 15.847 -0.544 5.835 1.00 0.00 H new ATOM 56 N ALA A 48 14.149 -5.498 3.762 1.00 0.00 N ATOM 57 CA ALA A 48 13.189 -6.174 2.843 1.00 0.00 C ATOM 58 C ALA A 48 11.756 -5.915 3.311 1.00 0.00 C ATOM 59 O ALA A 48 11.128 -6.757 3.920 1.00 0.00 O ATOM 60 CB ALA A 48 13.460 -7.679 2.839 1.00 0.00 C ATOM 0 H ALA A 48 14.807 -6.118 4.234 1.00 0.00 H new ATOM 0 HA ALA A 48 13.316 -5.778 1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.758 -8.173 2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.479 -7.864 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.336 -8.074 3.847 1.00 0.00 H new ATOM 66 N PHE A 49 11.233 -4.756 3.021 1.00 0.00 N ATOM 67 CA PHE A 49 9.839 -4.433 3.437 1.00 0.00 C ATOM 68 C PHE A 49 9.303 -3.330 2.524 1.00 0.00 C ATOM 69 O PHE A 49 8.368 -3.528 1.775 1.00 0.00 O ATOM 70 CB PHE A 49 9.832 -3.954 4.893 1.00 0.00 C ATOM 71 CG PHE A 49 8.424 -4.025 5.444 1.00 0.00 C ATOM 72 CD1 PHE A 49 7.462 -3.081 5.038 1.00 0.00 C ATOM 73 CD2 PHE A 49 8.075 -5.035 6.362 1.00 0.00 C ATOM 74 CE1 PHE A 49 6.151 -3.146 5.549 1.00 0.00 C ATOM 75 CE2 PHE A 49 6.764 -5.100 6.872 1.00 0.00 C ATOM 76 CZ PHE A 49 5.802 -4.156 6.466 1.00 0.00 C ATOM 0 H PHE A 49 11.714 -4.015 2.511 1.00 0.00 H new ATOM 0 HA PHE A 49 9.210 -5.319 3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.500 -4.572 5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.205 -2.932 4.952 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.729 -2.306 4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.813 -5.759 6.675 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.413 -2.421 5.237 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.496 -5.875 7.575 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.797 -4.206 6.858 1.00 0.00 H new ATOM 86 N LEU A 50 9.903 -2.171 2.569 1.00 0.00 N ATOM 87 CA LEU A 50 9.443 -1.061 1.691 1.00 0.00 C ATOM 88 C LEU A 50 9.816 -1.405 0.249 1.00 0.00 C ATOM 89 O LEU A 50 9.031 -1.249 -0.666 1.00 0.00 O ATOM 90 CB LEU A 50 10.133 0.248 2.094 1.00 0.00 C ATOM 91 CG LEU A 50 10.022 0.468 3.609 1.00 0.00 C ATOM 92 CD1 LEU A 50 10.960 1.603 4.025 1.00 0.00 C ATOM 93 CD2 LEU A 50 8.582 0.843 3.978 1.00 0.00 C ATOM 0 H LEU A 50 10.691 -1.947 3.176 1.00 0.00 H new ATOM 0 HA LEU A 50 8.365 -0.935 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.182 0.219 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.677 1.085 1.564 1.00 0.00 H new ATOM 0 HG LEU A 50 10.299 -0.451 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.884 1.762 5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.986 1.339 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.679 2.517 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.511 0.998 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.301 1.760 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.909 0.038 3.682 1.00 0.00 H new ATOM 105 N ALA A 51 11.012 -1.887 0.047 1.00 0.00 N ATOM 106 CA ALA A 51 11.448 -2.257 -1.326 1.00 0.00 C ATOM 107 C ALA A 51 10.548 -3.378 -1.850 1.00 0.00 C ATOM 108 O ALA A 51 10.215 -3.428 -3.018 1.00 0.00 O ATOM 109 CB ALA A 51 12.900 -2.744 -1.281 1.00 0.00 C ATOM 0 H ALA A 51 11.707 -2.040 0.778 1.00 0.00 H new ATOM 0 HA ALA A 51 11.376 -1.391 -1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 51 13.224 -3.016 -2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.539 -1.949 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 51 12.972 -3.614 -0.628 1.00 0.00 H new ATOM 115 N LYS A 52 10.146 -4.273 -0.989 1.00 0.00 N ATOM 116 CA LYS A 52 9.263 -5.387 -1.431 1.00 0.00 C ATOM 117 C LYS A 52 8.015 -4.803 -2.093 1.00 0.00 C ATOM 118 O LYS A 52 7.601 -5.234 -3.151 1.00 0.00 O ATOM 119 CB LYS A 52 8.851 -6.229 -0.217 1.00 0.00 C ATOM 120 CG LYS A 52 10.101 -6.778 0.502 1.00 0.00 C ATOM 121 CD LYS A 52 10.563 -8.098 -0.150 1.00 0.00 C ATOM 122 CE LYS A 52 9.800 -9.283 0.455 1.00 0.00 C ATOM 123 NZ LYS A 52 10.400 -9.640 1.771 1.00 0.00 N ATOM 0 H LYS A 52 10.391 -4.280 0.001 1.00 0.00 H new ATOM 0 HA LYS A 52 9.797 -6.018 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.263 -5.623 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.215 -7.054 -0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.905 -6.043 0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.878 -6.945 1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.395 -8.059 -1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.634 -8.231 0.000 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.748 -9.026 0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.841 -10.138 -0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.962 -10.514 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.423 -9.786 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.234 -8.869 2.449 1.00 0.00 H new ATOM 137 N LEU A 53 7.414 -3.819 -1.480 1.00 0.00 N ATOM 138 CA LEU A 53 6.196 -3.205 -2.080 1.00 0.00 C ATOM 139 C LEU A 53 6.505 -2.798 -3.522 1.00 0.00 C ATOM 140 O LEU A 53 5.749 -3.071 -4.432 1.00 0.00 O ATOM 141 CB LEU A 53 5.792 -1.963 -1.265 1.00 0.00 C ATOM 142 CG LEU A 53 4.963 -2.379 -0.031 1.00 0.00 C ATOM 143 CD1 LEU A 53 5.074 -1.302 1.053 1.00 0.00 C ATOM 144 CD2 LEU A 53 3.485 -2.543 -0.418 1.00 0.00 C ATOM 0 H LEU A 53 7.713 -3.415 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 53 5.375 -3.922 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.683 -1.422 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.212 -1.283 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 53 5.349 -3.327 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.488 -1.599 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.118 -1.184 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.695 -0.356 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.909 -2.837 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.103 -1.598 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.393 -3.311 -1.186 1.00 0.00 H new ATOM 156 N TRP A 54 7.614 -2.147 -3.731 1.00 0.00 N ATOM 157 CA TRP A 54 7.976 -1.718 -5.111 1.00 0.00 C ATOM 158 C TRP A 54 7.836 -2.902 -6.071 1.00 0.00 C ATOM 159 O TRP A 54 7.440 -2.745 -7.207 1.00 0.00 O ATOM 160 CB TRP A 54 9.424 -1.214 -5.122 1.00 0.00 C ATOM 161 CG TRP A 54 9.675 -0.426 -6.368 1.00 0.00 C ATOM 162 CD1 TRP A 54 9.620 0.925 -6.456 1.00 0.00 C ATOM 163 CD2 TRP A 54 10.020 -0.909 -7.698 1.00 0.00 C ATOM 164 NE1 TRP A 54 9.909 1.302 -7.756 1.00 0.00 N ATOM 165 CE2 TRP A 54 10.162 0.211 -8.561 1.00 0.00 C ATOM 166 CE3 TRP A 54 10.221 -2.201 -8.240 1.00 0.00 C ATOM 167 CZ2 TRP A 54 10.493 0.056 -9.916 1.00 0.00 C ATOM 168 CZ3 TRP A 54 10.555 -2.361 -9.601 1.00 0.00 C ATOM 169 CH2 TRP A 54 10.690 -1.235 -10.437 1.00 0.00 C ATOM 0 H TRP A 54 8.286 -1.893 -3.007 1.00 0.00 H new ATOM 0 HA TRP A 54 7.309 -0.917 -5.430 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.610 -0.594 -4.245 1.00 0.00 H new ATOM 0 HB3 TRP A 54 10.113 -2.057 -5.069 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.388 1.598 -5.644 1.00 0.00 H new ATOM 0 HE1 TRP A 54 9.932 2.269 -8.079 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.118 -3.070 -7.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.596 0.922 -10.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.708 -3.351 -10.004 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.945 -1.364 -11.479 1.00 0.00 H new ATOM 180 N ARG A 55 8.162 -4.086 -5.625 1.00 0.00 N ATOM 181 CA ARG A 55 8.052 -5.277 -6.518 1.00 0.00 C ATOM 182 C ARG A 55 6.577 -5.694 -6.642 1.00 0.00 C ATOM 183 O ARG A 55 6.191 -6.359 -7.582 1.00 0.00 O ATOM 184 CB ARG A 55 8.878 -6.446 -5.925 1.00 0.00 C ATOM 185 CG ARG A 55 10.313 -6.450 -6.482 1.00 0.00 C ATOM 186 CD ARG A 55 11.132 -5.329 -5.835 1.00 0.00 C ATOM 187 NE ARG A 55 11.580 -5.761 -4.482 1.00 0.00 N ATOM 188 CZ ARG A 55 12.541 -5.118 -3.878 1.00 0.00 C ATOM 189 NH1 ARG A 55 13.110 -4.096 -4.458 1.00 0.00 N ATOM 190 NH2 ARG A 55 12.936 -5.499 -2.693 1.00 0.00 N ATOM 0 H ARG A 55 8.499 -4.280 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 55 8.439 -5.027 -7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.907 -6.361 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.392 -7.393 -6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.784 -7.414 -6.288 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.292 -6.318 -7.564 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.995 -5.089 -6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.532 -4.422 -5.759 1.00 0.00 H new ATOM 0 HE ARG A 55 11.136 -6.559 -4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.803 -3.799 -5.384 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.861 -3.594 -3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.493 -6.299 -2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.687 -4.997 -2.220 1.00 0.00 H new ATOM 204 N LEU A 56 5.754 -5.318 -5.699 1.00 0.00 N ATOM 205 CA LEU A 56 4.314 -5.707 -5.765 1.00 0.00 C ATOM 206 C LEU A 56 3.541 -4.712 -6.640 1.00 0.00 C ATOM 207 O LEU A 56 2.577 -5.067 -7.290 1.00 0.00 O ATOM 208 CB LEU A 56 3.720 -5.702 -4.344 1.00 0.00 C ATOM 209 CG LEU A 56 4.063 -7.018 -3.612 1.00 0.00 C ATOM 210 CD1 LEU A 56 4.072 -6.780 -2.097 1.00 0.00 C ATOM 211 CD2 LEU A 56 3.012 -8.090 -3.938 1.00 0.00 C ATOM 0 H LEU A 56 6.016 -4.759 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 56 4.232 -6.704 -6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.111 -4.854 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.638 -5.579 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 56 5.046 -7.356 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.314 -7.711 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.819 -6.025 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.089 -6.435 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.262 -9.015 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.029 -7.746 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.998 -8.271 -5.013 1.00 0.00 H new ATOM 223 N VAL A 57 3.935 -3.465 -6.644 1.00 0.00 N ATOM 224 CA VAL A 57 3.196 -2.449 -7.456 1.00 0.00 C ATOM 225 C VAL A 57 3.858 -2.289 -8.833 1.00 0.00 C ATOM 226 O VAL A 57 4.090 -1.190 -9.295 1.00 0.00 O ATOM 227 CB VAL A 57 3.219 -1.110 -6.713 1.00 0.00 C ATOM 228 CG1 VAL A 57 2.159 -0.171 -7.299 1.00 0.00 C ATOM 229 CG2 VAL A 57 2.925 -1.346 -5.230 1.00 0.00 C ATOM 0 H VAL A 57 4.734 -3.106 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 57 2.166 -2.777 -7.600 1.00 0.00 H new ATOM 0 HB VAL A 57 4.203 -0.655 -6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.180 0.780 -6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.368 0.000 -8.355 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.173 -0.624 -7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.941 -0.394 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.942 -1.805 -5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.682 -2.008 -4.810 1.00 0.00 H new ATOM 239 N ASP A 58 4.150 -3.374 -9.500 1.00 0.00 N ATOM 240 CA ASP A 58 4.777 -3.273 -10.853 1.00 0.00 C ATOM 241 C ASP A 58 4.827 -4.662 -11.502 1.00 0.00 C ATOM 242 O ASP A 58 4.453 -4.838 -12.645 1.00 0.00 O ATOM 243 CB ASP A 58 6.197 -2.676 -10.735 1.00 0.00 C ATOM 244 CG ASP A 58 7.227 -3.763 -10.401 1.00 0.00 C ATOM 245 OD1 ASP A 58 7.436 -4.631 -11.232 1.00 0.00 O ATOM 246 OD2 ASP A 58 7.791 -3.705 -9.324 1.00 0.00 O ATOM 0 H ASP A 58 3.983 -4.324 -9.169 1.00 0.00 H new ATOM 0 HA ASP A 58 4.178 -2.613 -11.481 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.469 -2.188 -11.671 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.209 -1.909 -9.961 1.00 0.00 H new ATOM 251 N ASP A 59 5.290 -5.647 -10.781 1.00 0.00 N ATOM 252 CA ASP A 59 5.370 -7.019 -11.356 1.00 0.00 C ATOM 253 C ASP A 59 3.995 -7.434 -11.881 1.00 0.00 C ATOM 254 O ASP A 59 2.982 -6.878 -11.505 1.00 0.00 O ATOM 255 CB ASP A 59 5.819 -8.001 -10.273 1.00 0.00 C ATOM 256 CG ASP A 59 7.311 -7.810 -9.996 1.00 0.00 C ATOM 257 OD1 ASP A 59 7.673 -6.749 -9.512 1.00 0.00 O ATOM 258 OD2 ASP A 59 8.067 -8.727 -10.272 1.00 0.00 O ATOM 0 H ASP A 59 5.616 -5.560 -9.818 1.00 0.00 H new ATOM 0 HA ASP A 59 6.089 -7.027 -12.175 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.245 -7.839 -9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.626 -9.025 -10.593 1.00 0.00 H new ATOM 263 N ALA A 60 3.951 -8.409 -12.746 1.00 0.00 N ATOM 264 CA ALA A 60 2.640 -8.860 -13.293 1.00 0.00 C ATOM 265 C ALA A 60 1.938 -9.744 -12.262 1.00 0.00 C ATOM 266 O ALA A 60 2.240 -9.698 -11.086 1.00 0.00 O ATOM 267 CB ALA A 60 2.869 -9.663 -14.575 1.00 0.00 C ATOM 0 H ALA A 60 4.765 -8.913 -13.098 1.00 0.00 H new ATOM 0 HA ALA A 60 2.021 -7.991 -13.514 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.910 -9.992 -14.974 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.373 -9.037 -15.311 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.488 -10.533 -14.354 1.00 0.00 H new ATOM 273 N ASP A 61 1.003 -10.546 -12.701 1.00 0.00 N ATOM 274 CA ASP A 61 0.264 -11.447 -11.766 1.00 0.00 C ATOM 275 C ASP A 61 -0.088 -10.697 -10.476 1.00 0.00 C ATOM 276 O ASP A 61 -0.357 -11.297 -9.454 1.00 0.00 O ATOM 277 CB ASP A 61 1.129 -12.671 -11.435 1.00 0.00 C ATOM 278 CG ASP A 61 2.320 -12.252 -10.571 1.00 0.00 C ATOM 279 OD1 ASP A 61 3.339 -11.893 -11.137 1.00 0.00 O ATOM 280 OD2 ASP A 61 2.193 -12.296 -9.359 1.00 0.00 O ATOM 0 H ASP A 61 0.717 -10.616 -13.678 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.658 -11.775 -12.246 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.532 -13.417 -10.909 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.483 -13.136 -12.355 1.00 0.00 H new ATOM 285 N THR A 62 -0.089 -9.388 -10.517 1.00 0.00 N ATOM 286 CA THR A 62 -0.423 -8.591 -9.295 1.00 0.00 C ATOM 287 C THR A 62 -1.280 -7.385 -9.692 1.00 0.00 C ATOM 288 O THR A 62 -1.660 -6.583 -8.862 1.00 0.00 O ATOM 289 CB THR A 62 0.870 -8.099 -8.638 1.00 0.00 C ATOM 290 OG1 THR A 62 1.687 -7.471 -9.615 1.00 0.00 O ATOM 291 CG2 THR A 62 1.620 -9.285 -8.029 1.00 0.00 C ATOM 0 H THR A 62 0.128 -8.835 -11.346 1.00 0.00 H new ATOM 0 HA THR A 62 -0.974 -9.216 -8.593 1.00 0.00 H new ATOM 0 HB THR A 62 0.628 -7.384 -7.852 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.932 -8.123 -10.305 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.540 -8.933 -7.562 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.993 -9.765 -7.278 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.863 -10.003 -8.812 1.00 0.00 H new ATOM 299 N ASN A 63 -1.588 -7.249 -10.955 1.00 0.00 N ATOM 300 CA ASN A 63 -2.420 -6.094 -11.403 1.00 0.00 C ATOM 301 C ASN A 63 -3.900 -6.439 -11.230 1.00 0.00 C ATOM 302 O ASN A 63 -4.731 -6.060 -12.031 1.00 0.00 O ATOM 303 CB ASN A 63 -2.135 -5.803 -12.878 1.00 0.00 C ATOM 304 CG ASN A 63 -0.623 -5.747 -13.104 1.00 0.00 C ATOM 305 OD1 ASN A 63 0.120 -6.501 -12.506 1.00 0.00 O ATOM 306 ND2 ASN A 63 -0.133 -4.881 -13.948 1.00 0.00 N ATOM 0 H ASN A 63 -1.299 -7.888 -11.696 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.177 -5.215 -10.805 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.579 -6.577 -13.505 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.592 -4.857 -13.168 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.874 -4.836 -14.106 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.757 -4.249 -14.450 1.00 0.00 H new ATOM 313 N ARG A 64 -4.232 -7.160 -10.188 1.00 0.00 N ATOM 314 CA ARG A 64 -5.660 -7.547 -9.946 1.00 0.00 C ATOM 315 C ARG A 64 -6.030 -7.269 -8.488 1.00 0.00 C ATOM 316 O ARG A 64 -7.191 -7.193 -8.139 1.00 0.00 O ATOM 317 CB ARG A 64 -5.834 -9.045 -10.225 1.00 0.00 C ATOM 318 CG ARG A 64 -4.883 -9.887 -9.320 1.00 0.00 C ATOM 319 CD ARG A 64 -3.889 -10.682 -10.176 1.00 0.00 C ATOM 320 NE ARG A 64 -3.181 -11.678 -9.322 1.00 0.00 N ATOM 321 CZ ARG A 64 -2.545 -12.674 -9.875 1.00 0.00 C ATOM 322 NH1 ARG A 64 -2.541 -12.805 -11.173 1.00 0.00 N ATOM 323 NH2 ARG A 64 -1.918 -13.542 -9.129 1.00 0.00 N ATOM 0 H ARG A 64 -3.572 -7.500 -9.489 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.306 -6.967 -10.605 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.869 -9.336 -10.044 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.623 -9.252 -11.274 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.341 -9.229 -8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.468 -10.570 -8.704 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.414 -11.189 -10.985 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.169 -10.006 -10.638 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.194 -11.581 -8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.035 -12.129 -11.755 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.044 -13.584 -11.605 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.925 -13.442 -8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.421 -14.321 -9.561 1.00 0.00 H new ATOM 337 N LEU A 65 -5.046 -7.132 -7.634 1.00 0.00 N ATOM 338 CA LEU A 65 -5.314 -6.876 -6.183 1.00 0.00 C ATOM 339 C LEU A 65 -4.543 -5.630 -5.735 1.00 0.00 C ATOM 340 O LEU A 65 -4.726 -5.135 -4.640 1.00 0.00 O ATOM 341 CB LEU A 65 -4.849 -8.098 -5.379 1.00 0.00 C ATOM 342 CG LEU A 65 -5.645 -9.349 -5.813 1.00 0.00 C ATOM 343 CD1 LEU A 65 -4.841 -10.621 -5.521 1.00 0.00 C ATOM 344 CD2 LEU A 65 -6.970 -9.425 -5.049 1.00 0.00 C ATOM 0 H LEU A 65 -4.058 -7.187 -7.882 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.379 -6.710 -6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.783 -8.263 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.991 -7.918 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.837 -9.272 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.415 -11.494 -5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.900 -10.591 -6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.635 -10.684 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.521 -10.311 -5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.770 -9.483 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.563 -8.535 -5.259 1.00 0.00 H new ATOM 356 N ILE A 66 -3.686 -5.112 -6.575 1.00 0.00 N ATOM 357 CA ILE A 66 -2.909 -3.892 -6.202 1.00 0.00 C ATOM 358 C ILE A 66 -2.377 -3.225 -7.473 1.00 0.00 C ATOM 359 O ILE A 66 -1.849 -3.881 -8.350 1.00 0.00 O ATOM 360 CB ILE A 66 -1.733 -4.285 -5.304 1.00 0.00 C ATOM 361 CG1 ILE A 66 -0.950 -3.026 -4.916 1.00 0.00 C ATOM 362 CG2 ILE A 66 -0.816 -5.253 -6.057 1.00 0.00 C ATOM 363 CD1 ILE A 66 0.118 -3.380 -3.877 1.00 0.00 C ATOM 0 H ILE A 66 -3.490 -5.482 -7.505 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.557 -3.199 -5.665 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.106 -4.772 -4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.482 -2.591 -5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.628 -2.274 -4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.021 -5.533 -5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.377 -6.146 -6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.439 -4.770 -6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.672 -2.482 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.361 -3.794 -2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.804 -4.116 -4.296 1.00 0.00 H new ATOM 375 N CYS A 67 -2.510 -1.927 -7.591 1.00 0.00 N ATOM 376 CA CYS A 67 -2.003 -1.246 -8.822 1.00 0.00 C ATOM 377 C CYS A 67 -1.811 0.252 -8.565 1.00 0.00 C ATOM 378 O CYS A 67 -2.199 0.775 -7.538 1.00 0.00 O ATOM 379 CB CYS A 67 -3.011 -1.438 -9.958 1.00 0.00 C ATOM 380 SG CYS A 67 -4.660 -0.953 -9.391 1.00 0.00 S ATOM 0 H CYS A 67 -2.942 -1.316 -6.898 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.043 -1.683 -9.096 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.721 -0.839 -10.821 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.017 -2.479 -10.281 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.516 -1.114 -10.356 1.00 0.00 H new ATOM 386 N TRP A 68 -1.215 0.946 -9.502 1.00 0.00 N ATOM 387 CA TRP A 68 -0.994 2.413 -9.334 1.00 0.00 C ATOM 388 C TRP A 68 -2.303 3.156 -9.618 1.00 0.00 C ATOM 389 O TRP A 68 -3.133 2.697 -10.376 1.00 0.00 O ATOM 390 CB TRP A 68 0.072 2.887 -10.334 1.00 0.00 C ATOM 391 CG TRP A 68 1.436 2.502 -9.857 1.00 0.00 C ATOM 392 CD1 TRP A 68 2.173 1.482 -10.354 1.00 0.00 C ATOM 393 CD2 TRP A 68 2.241 3.119 -8.811 1.00 0.00 C ATOM 394 NE1 TRP A 68 3.379 1.428 -9.679 1.00 0.00 N ATOM 395 CE2 TRP A 68 3.472 2.415 -8.718 1.00 0.00 C ATOM 396 CE3 TRP A 68 2.026 4.210 -7.939 1.00 0.00 C ATOM 397 CZ2 TRP A 68 4.457 2.782 -7.790 1.00 0.00 C ATOM 398 CZ3 TRP A 68 3.015 4.584 -7.003 1.00 0.00 C ATOM 399 CH2 TRP A 68 4.228 3.870 -6.930 1.00 0.00 C ATOM 0 H TRP A 68 -0.871 0.557 -10.380 1.00 0.00 H new ATOM 0 HA TRP A 68 -0.662 2.616 -8.316 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.116 2.447 -11.313 1.00 0.00 H new ATOM 0 HB3 TRP A 68 0.013 3.969 -10.454 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.869 0.817 -11.149 1.00 0.00 H new ATOM 0 HE1 TRP A 68 4.110 0.743 -9.868 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.099 4.762 -7.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 5.385 2.233 -7.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.841 5.420 -6.341 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.982 4.159 -6.213 1.00 0.00 H new ATOM 410 N THR A 69 -2.491 4.309 -9.025 1.00 0.00 N ATOM 411 CA THR A 69 -3.744 5.087 -9.278 1.00 0.00 C ATOM 412 C THR A 69 -3.473 6.124 -10.373 1.00 0.00 C ATOM 413 O THR A 69 -2.555 6.915 -10.275 1.00 0.00 O ATOM 414 CB THR A 69 -4.173 5.802 -7.993 1.00 0.00 C ATOM 415 OG1 THR A 69 -3.201 6.777 -7.647 1.00 0.00 O ATOM 416 CG2 THR A 69 -4.309 4.787 -6.859 1.00 0.00 C ATOM 0 H THR A 69 -1.833 4.744 -8.378 1.00 0.00 H new ATOM 0 HA THR A 69 -4.539 4.412 -9.596 1.00 0.00 H new ATOM 0 HB THR A 69 -5.134 6.290 -8.154 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.721 7.060 -8.453 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.614 5.299 -5.947 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.059 4.042 -7.125 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.351 4.294 -6.695 1.00 0.00 H new ATOM 424 N LYS A 70 -4.256 6.126 -11.422 1.00 0.00 N ATOM 425 CA LYS A 70 -4.028 7.110 -12.523 1.00 0.00 C ATOM 426 C LYS A 70 -3.856 8.510 -11.920 1.00 0.00 C ATOM 427 O LYS A 70 -2.751 8.982 -11.740 1.00 0.00 O ATOM 428 CB LYS A 70 -5.230 7.083 -13.490 1.00 0.00 C ATOM 429 CG LYS A 70 -4.869 7.722 -14.859 1.00 0.00 C ATOM 430 CD LYS A 70 -5.263 9.212 -14.887 1.00 0.00 C ATOM 431 CE LYS A 70 -6.749 9.361 -15.240 1.00 0.00 C ATOM 432 NZ LYS A 70 -7.235 10.694 -14.785 1.00 0.00 N ATOM 0 H LYS A 70 -5.041 5.491 -11.563 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.126 6.850 -13.077 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.554 6.053 -13.641 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.069 7.619 -13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.799 7.620 -15.042 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.382 7.190 -15.660 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.065 9.666 -13.916 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.653 9.743 -15.618 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.891 9.258 -16.316 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.328 8.569 -14.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.011 11.009 -15.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.577 10.623 -13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.456 11.382 -14.830 1.00 0.00 H new ATOM 446 N ASP A 71 -4.933 9.173 -11.588 1.00 0.00 N ATOM 447 CA ASP A 71 -4.814 10.529 -10.979 1.00 0.00 C ATOM 448 C ASP A 71 -4.606 10.355 -9.478 1.00 0.00 C ATOM 449 O ASP A 71 -5.481 9.888 -8.777 1.00 0.00 O ATOM 450 CB ASP A 71 -6.098 11.323 -11.232 1.00 0.00 C ATOM 451 CG ASP A 71 -6.002 12.684 -10.543 1.00 0.00 C ATOM 452 OD1 ASP A 71 -5.010 12.918 -9.873 1.00 0.00 O ATOM 453 OD2 ASP A 71 -6.922 13.470 -10.696 1.00 0.00 O ATOM 0 H ASP A 71 -5.887 8.834 -11.712 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.976 11.070 -11.419 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.250 11.456 -12.303 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.959 10.772 -10.853 1.00 0.00 H new ATOM 458 N GLY A 72 -3.446 10.703 -8.976 1.00 0.00 N ATOM 459 CA GLY A 72 -3.168 10.533 -7.533 1.00 0.00 C ATOM 460 C GLY A 72 -1.794 9.896 -7.401 1.00 0.00 C ATOM 461 O GLY A 72 -1.558 8.791 -7.852 1.00 0.00 O ATOM 0 H GLY A 72 -2.678 11.101 -9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.194 11.495 -7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.928 9.904 -7.068 1.00 0.00 H new ATOM 465 N GLN A 73 -0.889 10.585 -6.793 1.00 0.00 N ATOM 466 CA GLN A 73 0.484 10.036 -6.627 1.00 0.00 C ATOM 467 C GLN A 73 0.476 9.116 -5.412 1.00 0.00 C ATOM 468 O GLN A 73 0.722 9.526 -4.296 1.00 0.00 O ATOM 469 CB GLN A 73 1.470 11.183 -6.394 1.00 0.00 C ATOM 470 CG GLN A 73 1.228 12.282 -7.431 1.00 0.00 C ATOM 471 CD GLN A 73 1.321 11.687 -8.838 1.00 0.00 C ATOM 472 OE1 GLN A 73 0.425 10.994 -9.278 1.00 0.00 O ATOM 473 NE2 GLN A 73 2.376 11.931 -9.567 1.00 0.00 N ATOM 0 H GLN A 73 -1.034 11.514 -6.397 1.00 0.00 H new ATOM 0 HA GLN A 73 0.786 9.488 -7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.347 11.584 -5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.494 10.817 -6.468 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.246 12.730 -7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.964 13.077 -7.312 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.128 12.513 -9.197 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.448 11.540 -10.506 1.00 0.00 H new ATOM 482 N SER A 74 0.162 7.869 -5.642 1.00 0.00 N ATOM 483 CA SER A 74 0.098 6.880 -4.536 1.00 0.00 C ATOM 484 C SER A 74 -0.396 5.542 -5.104 1.00 0.00 C ATOM 485 O SER A 74 -0.443 5.353 -6.308 1.00 0.00 O ATOM 486 CB SER A 74 -0.873 7.387 -3.467 1.00 0.00 C ATOM 487 OG SER A 74 -1.968 8.038 -4.098 1.00 0.00 O ATOM 0 H SER A 74 -0.055 7.492 -6.564 1.00 0.00 H new ATOM 0 HA SER A 74 1.082 6.745 -4.087 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.230 6.555 -2.860 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.363 8.077 -2.794 1.00 0.00 H new ATOM 0 HG SER A 74 -2.808 7.712 -3.713 1.00 0.00 H new ATOM 493 N PHE A 75 -0.769 4.611 -4.255 1.00 0.00 N ATOM 494 CA PHE A 75 -1.262 3.283 -4.756 1.00 0.00 C ATOM 495 C PHE A 75 -2.531 2.887 -4.003 1.00 0.00 C ATOM 496 O PHE A 75 -2.897 3.501 -3.019 1.00 0.00 O ATOM 497 CB PHE A 75 -0.184 2.216 -4.541 1.00 0.00 C ATOM 498 CG PHE A 75 0.262 2.219 -3.098 1.00 0.00 C ATOM 499 CD1 PHE A 75 1.120 3.232 -2.631 1.00 0.00 C ATOM 500 CD2 PHE A 75 -0.174 1.206 -2.222 1.00 0.00 C ATOM 501 CE1 PHE A 75 1.541 3.234 -1.288 1.00 0.00 C ATOM 502 CE2 PHE A 75 0.248 1.207 -0.878 1.00 0.00 C ATOM 503 CZ PHE A 75 1.106 2.220 -0.410 1.00 0.00 C ATOM 0 H PHE A 75 -0.754 4.712 -3.240 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.484 3.362 -5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.574 1.234 -4.808 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.667 2.410 -5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.455 4.008 -3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.832 0.428 -2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.198 4.013 -0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.087 0.430 -0.206 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.431 2.221 0.620 1.00 0.00 H new ATOM 513 N VAL A 76 -3.215 1.869 -4.462 1.00 0.00 N ATOM 514 CA VAL A 76 -4.472 1.434 -3.780 1.00 0.00 C ATOM 515 C VAL A 76 -4.589 -0.087 -3.816 1.00 0.00 C ATOM 516 O VAL A 76 -3.892 -0.767 -4.548 1.00 0.00 O ATOM 517 CB VAL A 76 -5.673 2.061 -4.493 1.00 0.00 C ATOM 518 CG1 VAL A 76 -5.634 1.712 -5.981 1.00 0.00 C ATOM 519 CG2 VAL A 76 -6.978 1.543 -3.884 1.00 0.00 C ATOM 0 H VAL A 76 -2.956 1.319 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.450 1.760 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.626 3.143 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.491 2.161 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.714 2.096 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.669 0.629 -6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.825 1.996 -4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.025 0.459 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.015 1.804 -2.826 1.00 0.00 H new ATOM 529 N ILE A 77 -5.472 -0.620 -3.017 1.00 0.00 N ATOM 530 CA ILE A 77 -5.672 -2.102 -2.962 1.00 0.00 C ATOM 531 C ILE A 77 -7.177 -2.377 -2.821 1.00 0.00 C ATOM 532 O ILE A 77 -7.644 -2.853 -1.806 1.00 0.00 O ATOM 533 CB ILE A 77 -4.891 -2.678 -1.754 1.00 0.00 C ATOM 534 CG1 ILE A 77 -3.654 -1.804 -1.484 1.00 0.00 C ATOM 535 CG2 ILE A 77 -4.445 -4.113 -2.044 1.00 0.00 C ATOM 536 CD1 ILE A 77 -2.797 -2.426 -0.375 1.00 0.00 C ATOM 0 H ILE A 77 -6.074 -0.086 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.301 -2.580 -3.869 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.542 -2.680 -0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.065 -1.704 -2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.965 -0.801 -1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.898 -4.504 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.320 -4.735 -2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.799 -4.123 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.925 -1.798 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.385 -2.503 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.471 -3.420 -0.681 1.00 0.00 H new ATOM 548 N GLN A 78 -7.935 -2.052 -3.837 1.00 0.00 N ATOM 549 CA GLN A 78 -9.416 -2.255 -3.796 1.00 0.00 C ATOM 550 C GLN A 78 -9.773 -3.571 -3.095 1.00 0.00 C ATOM 551 O GLN A 78 -10.679 -3.624 -2.287 1.00 0.00 O ATOM 552 CB GLN A 78 -9.963 -2.271 -5.229 1.00 0.00 C ATOM 553 CG GLN A 78 -9.030 -3.084 -6.131 1.00 0.00 C ATOM 554 CD GLN A 78 -9.625 -3.168 -7.538 1.00 0.00 C ATOM 555 OE1 GLN A 78 -10.142 -2.197 -8.050 1.00 0.00 O ATOM 556 NE2 GLN A 78 -9.572 -4.300 -8.187 1.00 0.00 N ATOM 0 H GLN A 78 -7.586 -1.649 -4.706 1.00 0.00 H new ATOM 0 HA GLN A 78 -9.864 -1.436 -3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.964 -2.703 -5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.051 -1.252 -5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.046 -2.618 -6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.893 -4.085 -5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.137 -5.115 -7.755 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.965 -4.369 -9.126 1.00 0.00 H new ATOM 565 N ASN A 79 -9.080 -4.631 -3.396 1.00 0.00 N ATOM 566 CA ASN A 79 -9.400 -5.931 -2.745 1.00 0.00 C ATOM 567 C ASN A 79 -8.784 -5.975 -1.346 1.00 0.00 C ATOM 568 O ASN A 79 -8.046 -5.095 -0.951 1.00 0.00 O ATOM 569 CB ASN A 79 -8.830 -7.074 -3.585 1.00 0.00 C ATOM 570 CG ASN A 79 -9.384 -8.407 -3.079 1.00 0.00 C ATOM 571 OD1 ASN A 79 -8.911 -8.940 -2.094 1.00 0.00 O ATOM 572 ND2 ASN A 79 -10.372 -8.972 -3.716 1.00 0.00 N ATOM 0 H ASN A 79 -8.308 -4.655 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 79 -10.482 -6.037 -2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.092 -6.934 -4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.742 -7.075 -3.526 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.748 -9.861 -3.388 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.768 -8.524 -4.542 1.00 0.00 H new ATOM 579 N GLN A 80 -9.084 -7.002 -0.595 1.00 0.00 N ATOM 580 CA GLN A 80 -8.521 -7.123 0.781 1.00 0.00 C ATOM 581 C GLN A 80 -8.348 -8.606 1.118 1.00 0.00 C ATOM 582 O GLN A 80 -7.258 -9.067 1.393 1.00 0.00 O ATOM 583 CB GLN A 80 -9.480 -6.479 1.785 1.00 0.00 C ATOM 584 CG GLN A 80 -9.573 -4.976 1.515 1.00 0.00 C ATOM 585 CD GLN A 80 -10.237 -4.282 2.706 1.00 0.00 C ATOM 586 OE1 GLN A 80 -11.435 -4.377 2.887 1.00 0.00 O ATOM 587 NE2 GLN A 80 -9.507 -3.584 3.530 1.00 0.00 N ATOM 0 H GLN A 80 -9.698 -7.766 -0.878 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.557 -6.618 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.467 -6.935 1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.130 -6.655 2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.578 -4.564 1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.149 -4.794 0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.502 -3.504 3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.941 -3.118 4.326 1.00 0.00 H new ATOM 596 N ALA A 81 -9.415 -9.359 1.089 1.00 0.00 N ATOM 597 CA ALA A 81 -9.309 -10.813 1.398 1.00 0.00 C ATOM 598 C ALA A 81 -8.275 -11.446 0.467 1.00 0.00 C ATOM 599 O ALA A 81 -7.193 -11.812 0.881 1.00 0.00 O ATOM 600 CB ALA A 81 -10.668 -11.481 1.185 1.00 0.00 C ATOM 0 H ALA A 81 -10.354 -9.030 0.865 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.002 -10.948 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.590 -12.544 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.406 -11.023 1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.978 -11.352 0.148 1.00 0.00 H new ATOM 606 N GLN A 82 -8.596 -11.567 -0.791 1.00 0.00 N ATOM 607 CA GLN A 82 -7.628 -12.162 -1.756 1.00 0.00 C ATOM 608 C GLN A 82 -6.287 -11.464 -1.609 1.00 0.00 C ATOM 609 O GLN A 82 -5.261 -12.086 -1.430 1.00 0.00 O ATOM 610 CB GLN A 82 -8.129 -11.946 -3.182 1.00 0.00 C ATOM 611 CG GLN A 82 -9.307 -12.869 -3.459 1.00 0.00 C ATOM 612 CD GLN A 82 -8.806 -14.302 -3.656 1.00 0.00 C ATOM 613 OE1 GLN A 82 -8.633 -15.070 -2.615 1.00 0.00 O flip ATOM 614 NE2 GLN A 82 -8.569 -14.727 -4.769 1.00 0.00 N flip ATOM 0 H GLN A 82 -9.488 -11.279 -1.194 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.527 -13.228 -1.554 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.429 -10.907 -3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.326 -12.142 -3.893 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.013 -12.831 -2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.841 -12.535 -4.348 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.704 -14.128 -5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.235 -15.683 -4.889 1.00 0.00 H new ATOM 623 N PHE A 83 -6.298 -10.169 -1.701 1.00 0.00 N ATOM 624 CA PHE A 83 -5.040 -9.392 -1.590 1.00 0.00 C ATOM 625 C PHE A 83 -4.178 -9.928 -0.437 1.00 0.00 C ATOM 626 O PHE A 83 -2.999 -9.646 -0.354 1.00 0.00 O ATOM 627 CB PHE A 83 -5.393 -7.924 -1.334 1.00 0.00 C ATOM 628 CG PHE A 83 -4.150 -7.149 -0.963 1.00 0.00 C ATOM 629 CD1 PHE A 83 -3.152 -6.903 -1.927 1.00 0.00 C ATOM 630 CD2 PHE A 83 -3.990 -6.673 0.351 1.00 0.00 C ATOM 631 CE1 PHE A 83 -1.997 -6.179 -1.573 1.00 0.00 C ATOM 632 CE2 PHE A 83 -2.836 -5.951 0.705 1.00 0.00 C ATOM 633 CZ PHE A 83 -1.841 -5.702 -0.257 1.00 0.00 C ATOM 0 H PHE A 83 -7.137 -9.608 -1.850 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.472 -9.486 -2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.849 -7.491 -2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.128 -7.853 -0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.273 -7.269 -2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.755 -6.862 1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.231 -5.990 -2.310 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.714 -5.588 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.956 -5.145 0.014 1.00 0.00 H new ATOM 643 N ALA A 84 -4.757 -10.683 0.459 1.00 0.00 N ATOM 644 CA ALA A 84 -3.973 -11.220 1.616 1.00 0.00 C ATOM 645 C ALA A 84 -3.510 -12.653 1.338 1.00 0.00 C ATOM 646 O ALA A 84 -2.331 -12.921 1.241 1.00 0.00 O ATOM 647 CB ALA A 84 -4.855 -11.213 2.865 1.00 0.00 C ATOM 0 H ALA A 84 -5.741 -10.953 0.442 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.096 -10.591 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.290 -11.603 3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.173 -10.193 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.732 -11.838 2.695 1.00 0.00 H new ATOM 653 N LYS A 85 -4.423 -13.579 1.238 1.00 0.00 N ATOM 654 CA LYS A 85 -4.028 -14.998 1.003 1.00 0.00 C ATOM 655 C LYS A 85 -3.576 -15.218 -0.445 1.00 0.00 C ATOM 656 O LYS A 85 -3.992 -16.158 -1.092 1.00 0.00 O ATOM 657 CB LYS A 85 -5.219 -15.908 1.309 1.00 0.00 C ATOM 658 CG LYS A 85 -6.457 -15.446 0.516 1.00 0.00 C ATOM 659 CD LYS A 85 -7.437 -16.617 0.338 1.00 0.00 C ATOM 660 CE LYS A 85 -6.817 -17.711 -0.555 1.00 0.00 C ATOM 661 NZ LYS A 85 -7.886 -18.329 -1.389 1.00 0.00 N ATOM 0 H LYS A 85 -5.427 -13.415 1.309 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.191 -15.236 1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.975 -16.938 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.435 -15.891 2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.949 -14.626 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.153 -15.065 -0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.693 -17.036 1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.364 -16.258 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.045 -17.282 -1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.336 -18.470 0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.472 -19.068 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.608 -18.752 -0.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.326 -17.600 -1.986 1.00 0.00 H new ATOM 675 N GLU A 86 -2.718 -14.375 -0.962 1.00 0.00 N ATOM 676 CA GLU A 86 -2.246 -14.571 -2.368 1.00 0.00 C ATOM 677 C GLU A 86 -0.930 -13.803 -2.603 1.00 0.00 C ATOM 678 O GLU A 86 -0.247 -14.039 -3.579 1.00 0.00 O ATOM 679 CB GLU A 86 -3.342 -14.076 -3.348 1.00 0.00 C ATOM 680 CG GLU A 86 -3.963 -15.254 -4.114 1.00 0.00 C ATOM 681 CD GLU A 86 -2.983 -15.741 -5.183 1.00 0.00 C ATOM 682 OE1 GLU A 86 -2.462 -14.906 -5.905 1.00 0.00 O ATOM 683 OE2 GLU A 86 -2.771 -16.940 -5.263 1.00 0.00 O ATOM 0 H GLU A 86 -2.327 -13.567 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.058 -15.630 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.118 -13.547 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.911 -13.365 -4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.199 -16.065 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.900 -14.946 -4.578 1.00 0.00 H new ATOM 690 N LEU A 87 -0.573 -12.885 -1.733 1.00 0.00 N ATOM 691 CA LEU A 87 0.695 -12.104 -1.927 1.00 0.00 C ATOM 692 C LEU A 87 1.500 -12.073 -0.625 1.00 0.00 C ATOM 693 O LEU A 87 2.709 -11.960 -0.640 1.00 0.00 O ATOM 694 CB LEU A 87 0.351 -10.666 -2.333 1.00 0.00 C ATOM 695 CG LEU A 87 -0.571 -10.665 -3.560 1.00 0.00 C ATOM 696 CD1 LEU A 87 -1.146 -9.262 -3.759 1.00 0.00 C ATOM 697 CD2 LEU A 87 0.218 -11.069 -4.814 1.00 0.00 C ATOM 0 H LEU A 87 -1.104 -12.642 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 87 1.287 -12.582 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.136 -10.153 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.265 -10.115 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.378 -11.380 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.801 -9.258 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.715 -8.973 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.332 -8.554 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.446 -11.065 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.030 -10.360 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.630 -12.069 -4.678 1.00 0.00 H new ATOM 709 N LEU A 88 0.847 -12.158 0.504 1.00 0.00 N ATOM 710 CA LEU A 88 1.595 -12.117 1.794 1.00 0.00 C ATOM 711 C LEU A 88 2.294 -13.460 2.106 1.00 0.00 C ATOM 712 O LEU A 88 3.357 -13.445 2.695 1.00 0.00 O ATOM 713 CB LEU A 88 0.643 -11.751 2.941 1.00 0.00 C ATOM 714 CG LEU A 88 -0.262 -10.592 2.512 1.00 0.00 C ATOM 715 CD1 LEU A 88 -1.236 -10.263 3.646 1.00 0.00 C ATOM 716 CD2 LEU A 88 0.590 -9.357 2.193 1.00 0.00 C ATOM 0 H LEU A 88 -0.165 -12.253 0.589 1.00 0.00 H new ATOM 0 HA LEU A 88 2.369 -11.356 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.038 -12.616 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.215 -11.470 3.825 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.821 -10.881 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.881 -9.438 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.846 -11.139 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.675 -9.977 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.059 -8.536 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.153 -9.065 3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.282 -9.591 1.384 1.00 0.00 H new ATOM 728 N PRO A 89 1.710 -14.592 1.738 1.00 0.00 N ATOM 729 CA PRO A 89 2.339 -15.894 2.036 1.00 0.00 C ATOM 730 C PRO A 89 3.630 -16.049 1.216 1.00 0.00 C ATOM 731 O PRO A 89 4.677 -16.368 1.744 1.00 0.00 O ATOM 732 CB PRO A 89 1.280 -16.951 1.639 1.00 0.00 C ATOM 733 CG PRO A 89 0.038 -16.183 1.102 1.00 0.00 C ATOM 734 CD PRO A 89 0.419 -14.689 1.021 1.00 0.00 C ATOM 0 HA PRO A 89 2.624 -15.998 3.083 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.675 -17.623 0.877 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.010 -17.566 2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.251 -16.559 0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.817 -16.326 1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.515 -14.360 -0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.341 -14.061 1.486 1.00 0.00 H new ATOM 742 N LEU A 90 3.560 -15.827 -0.068 1.00 0.00 N ATOM 743 CA LEU A 90 4.777 -15.961 -0.917 1.00 0.00 C ATOM 744 C LEU A 90 5.629 -14.693 -0.781 1.00 0.00 C ATOM 745 O LEU A 90 6.277 -14.263 -1.715 1.00 0.00 O ATOM 746 CB LEU A 90 4.357 -16.166 -2.386 1.00 0.00 C ATOM 747 CG LEU A 90 3.069 -15.363 -2.678 1.00 0.00 C ATOM 748 CD1 LEU A 90 3.065 -14.884 -4.135 1.00 0.00 C ATOM 749 CD2 LEU A 90 1.831 -16.240 -2.433 1.00 0.00 C ATOM 0 H LEU A 90 2.711 -15.558 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 90 5.363 -16.821 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.157 -15.842 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.189 -17.225 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 90 3.041 -14.501 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.153 -14.319 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.931 -14.246 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.108 -15.746 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.930 -15.664 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.866 -17.110 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.818 -16.569 -1.394 1.00 0.00 H new ATOM 761 N ASN A 91 5.634 -14.092 0.381 1.00 0.00 N ATOM 762 CA ASN A 91 6.445 -12.852 0.583 1.00 0.00 C ATOM 763 C ASN A 91 6.893 -12.767 2.043 1.00 0.00 C ATOM 764 O ASN A 91 8.023 -13.066 2.374 1.00 0.00 O ATOM 765 CB ASN A 91 5.593 -11.627 0.240 1.00 0.00 C ATOM 766 CG ASN A 91 5.419 -11.534 -1.276 1.00 0.00 C ATOM 767 OD1 ASN A 91 4.707 -12.323 -1.867 1.00 0.00 O ATOM 768 ND2 ASN A 91 6.042 -10.596 -1.936 1.00 0.00 N ATOM 0 H ASN A 91 5.112 -14.406 1.199 1.00 0.00 H new ATOM 0 HA ASN A 91 7.321 -12.881 -0.064 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.619 -11.701 0.724 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.069 -10.722 0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.932 -10.525 -2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.639 -9.934 -1.440 1.00 0.00 H new ATOM 775 N TYR A 92 6.016 -12.358 2.922 1.00 0.00 N ATOM 776 CA TYR A 92 6.390 -12.249 4.363 1.00 0.00 C ATOM 777 C TYR A 92 6.099 -13.575 5.069 1.00 0.00 C ATOM 778 O TYR A 92 6.309 -13.712 6.256 1.00 0.00 O ATOM 779 CB TYR A 92 5.571 -11.133 5.017 1.00 0.00 C ATOM 780 CG TYR A 92 5.817 -9.835 4.287 1.00 0.00 C ATOM 781 CD1 TYR A 92 5.044 -9.504 3.156 1.00 0.00 C ATOM 782 CD2 TYR A 92 6.819 -8.954 4.736 1.00 0.00 C ATOM 783 CE1 TYR A 92 5.273 -8.293 2.476 1.00 0.00 C ATOM 784 CE2 TYR A 92 7.049 -7.743 4.054 1.00 0.00 C ATOM 785 CZ TYR A 92 6.276 -7.412 2.925 1.00 0.00 C ATOM 786 OH TYR A 92 6.501 -6.225 2.258 1.00 0.00 O ATOM 0 H TYR A 92 5.055 -12.094 2.704 1.00 0.00 H new ATOM 0 HA TYR A 92 7.452 -12.020 4.447 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.510 -11.382 4.990 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.848 -11.031 6.066 1.00 0.00 H new ATOM 0 HD1 TYR A 92 4.276 -10.180 2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.411 -9.206 5.603 1.00 0.00 H new ATOM 0 HE1 TYR A 92 4.680 -8.039 1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.819 -7.068 4.398 1.00 0.00 H new ATOM 0 HH TYR A 92 7.044 -5.633 2.819 1.00 0.00 H new ATOM 796 N LYS A 93 5.622 -14.552 4.342 1.00 0.00 N ATOM 797 CA LYS A 93 5.318 -15.879 4.955 1.00 0.00 C ATOM 798 C LYS A 93 4.020 -15.793 5.769 1.00 0.00 C ATOM 799 O LYS A 93 3.089 -16.540 5.545 1.00 0.00 O ATOM 800 CB LYS A 93 6.485 -16.314 5.862 1.00 0.00 C ATOM 801 CG LYS A 93 6.580 -17.849 5.887 1.00 0.00 C ATOM 802 CD LYS A 93 7.719 -18.303 6.826 1.00 0.00 C ATOM 803 CE LYS A 93 9.020 -18.513 6.037 1.00 0.00 C ATOM 804 NZ LYS A 93 9.175 -17.436 5.018 1.00 0.00 N ATOM 0 H LYS A 93 5.429 -14.487 3.343 1.00 0.00 H new ATOM 0 HA LYS A 93 5.189 -16.618 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.420 -15.888 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.334 -15.933 6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.633 -18.273 6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.759 -18.225 4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.876 -17.556 7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.437 -19.230 7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.872 -18.508 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.007 -19.488 5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.082 -17.555 4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.395 -17.492 4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.156 -16.508 5.488 1.00 0.00 H new ATOM 818 N HIS A 94 3.951 -14.895 6.714 1.00 0.00 N ATOM 819 CA HIS A 94 2.713 -14.777 7.536 1.00 0.00 C ATOM 820 C HIS A 94 1.507 -14.557 6.618 1.00 0.00 C ATOM 821 O HIS A 94 1.597 -14.705 5.416 1.00 0.00 O ATOM 822 CB HIS A 94 2.849 -13.599 8.507 1.00 0.00 C ATOM 823 CG HIS A 94 2.885 -12.306 7.739 1.00 0.00 C ATOM 824 ND1 HIS A 94 1.838 -11.896 6.928 1.00 0.00 N ATOM 825 CD2 HIS A 94 3.834 -11.316 7.654 1.00 0.00 C ATOM 826 CE1 HIS A 94 2.178 -10.707 6.397 1.00 0.00 C ATOM 827 NE2 HIS A 94 3.385 -10.308 6.807 1.00 0.00 N ATOM 0 H HIS A 94 4.696 -14.240 6.952 1.00 0.00 H new ATOM 0 HA HIS A 94 2.568 -15.695 8.106 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.013 -13.594 9.206 1.00 0.00 H new ATOM 0 HB3 HIS A 94 3.758 -13.707 9.098 1.00 0.00 H new ATOM 0 HD2 HIS A 94 4.784 -11.320 8.167 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.551 -10.144 5.721 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.873 -9.449 6.553 1.00 0.00 H new ATOM 835 N ASN A 95 0.377 -14.207 7.175 1.00 0.00 N ATOM 836 CA ASN A 95 -0.837 -13.982 6.335 1.00 0.00 C ATOM 837 C ASN A 95 -1.734 -12.936 6.999 1.00 0.00 C ATOM 838 O ASN A 95 -2.639 -12.404 6.387 1.00 0.00 O ATOM 839 CB ASN A 95 -1.609 -15.297 6.196 1.00 0.00 C ATOM 840 CG ASN A 95 -1.742 -15.957 7.569 1.00 0.00 C ATOM 841 OD1 ASN A 95 -0.670 -16.177 8.280 1.00 0.00 O flip ATOM 842 ND2 ASN A 95 -2.833 -16.278 7.998 1.00 0.00 N flip ATOM 0 H ASN A 95 0.242 -14.067 8.176 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.535 -13.628 5.349 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -2.596 -15.109 5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -1.090 -15.965 5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.671 -16.106 7.442 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.911 -16.720 8.914 1.00 0.00 H new ATOM 849 N ASN A 96 -1.492 -12.633 8.246 1.00 0.00 N ATOM 850 CA ASN A 96 -2.333 -11.618 8.943 1.00 0.00 C ATOM 851 C ASN A 96 -2.449 -10.368 8.065 1.00 0.00 C ATOM 852 O ASN A 96 -1.486 -9.925 7.471 1.00 0.00 O ATOM 853 CB ASN A 96 -1.688 -11.260 10.286 1.00 0.00 C ATOM 854 CG ASN A 96 -0.166 -11.215 10.126 1.00 0.00 C ATOM 855 OD1 ASN A 96 0.546 -11.952 10.780 1.00 0.00 O ATOM 856 ND2 ASN A 96 0.365 -10.377 9.280 1.00 0.00 N ATOM 0 H ASN A 96 -0.749 -13.044 8.811 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.329 -12.022 9.123 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.057 -10.294 10.633 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.963 -11.996 11.041 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.378 -10.340 9.167 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.233 -9.759 8.731 1.00 0.00 H new ATOM 863 N MET A 97 -3.626 -9.801 7.970 1.00 0.00 N ATOM 864 CA MET A 97 -3.817 -8.583 7.120 1.00 0.00 C ATOM 865 C MET A 97 -3.792 -7.327 8.001 1.00 0.00 C ATOM 866 O MET A 97 -2.888 -6.520 7.921 1.00 0.00 O ATOM 867 CB MET A 97 -5.171 -8.685 6.394 1.00 0.00 C ATOM 868 CG MET A 97 -5.155 -7.820 5.129 1.00 0.00 C ATOM 869 SD MET A 97 -4.952 -6.079 5.591 1.00 0.00 S ATOM 870 CE MET A 97 -4.703 -5.401 3.929 1.00 0.00 C ATOM 0 H MET A 97 -4.466 -10.130 8.446 1.00 0.00 H new ATOM 0 HA MET A 97 -3.013 -8.516 6.387 1.00 0.00 H new ATOM 0 HB2 MET A 97 -5.375 -9.723 6.132 1.00 0.00 H new ATOM 0 HB3 MET A 97 -5.973 -8.360 7.056 1.00 0.00 H new ATOM 0 HG2 MET A 97 -4.342 -8.131 4.473 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.082 -7.954 4.572 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.007 -4.564 3.978 1.00 0.00 H new ATOM 0 HE2 MET A 97 -4.295 -6.174 3.278 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.657 -5.056 3.530 1.00 0.00 H new ATOM 880 N ALA A 98 -4.784 -7.152 8.836 1.00 0.00 N ATOM 881 CA ALA A 98 -4.823 -5.945 9.716 1.00 0.00 C ATOM 882 C ALA A 98 -3.449 -5.718 10.352 1.00 0.00 C ATOM 883 O ALA A 98 -3.109 -4.615 10.734 1.00 0.00 O ATOM 884 CB ALA A 98 -5.863 -6.153 10.817 1.00 0.00 C ATOM 0 H ALA A 98 -5.569 -7.793 8.947 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.089 -5.074 9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.893 -5.273 11.460 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.844 -6.307 10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.595 -7.027 11.410 1.00 0.00 H new ATOM 890 N SER A 99 -2.651 -6.745 10.461 1.00 0.00 N ATOM 891 CA SER A 99 -1.301 -6.568 11.064 1.00 0.00 C ATOM 892 C SER A 99 -0.427 -5.797 10.080 1.00 0.00 C ATOM 893 O SER A 99 0.344 -4.939 10.457 1.00 0.00 O ATOM 894 CB SER A 99 -0.679 -7.936 11.345 1.00 0.00 C ATOM 895 OG SER A 99 -1.521 -8.661 12.230 1.00 0.00 O ATOM 0 H SER A 99 -2.874 -7.694 10.160 1.00 0.00 H new ATOM 0 HA SER A 99 -1.380 -6.018 12.002 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.550 -8.488 10.414 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.311 -7.815 11.784 1.00 0.00 H new ATOM 0 HG SER A 99 -1.126 -9.539 12.411 1.00 0.00 H new ATOM 901 N PHE A 100 -0.554 -6.089 8.815 1.00 0.00 N ATOM 902 CA PHE A 100 0.259 -5.361 7.806 1.00 0.00 C ATOM 903 C PHE A 100 -0.179 -3.896 7.786 1.00 0.00 C ATOM 904 O PHE A 100 0.634 -2.995 7.732 1.00 0.00 O ATOM 905 CB PHE A 100 0.043 -5.978 6.421 1.00 0.00 C ATOM 906 CG PHE A 100 0.740 -5.121 5.387 1.00 0.00 C ATOM 907 CD1 PHE A 100 2.138 -4.968 5.434 1.00 0.00 C ATOM 908 CD2 PHE A 100 -0.007 -4.460 4.392 1.00 0.00 C ATOM 909 CE1 PHE A 100 2.790 -4.152 4.491 1.00 0.00 C ATOM 910 CE2 PHE A 100 0.646 -3.648 3.444 1.00 0.00 C ATOM 911 CZ PHE A 100 2.045 -3.494 3.496 1.00 0.00 C ATOM 0 H PHE A 100 -1.184 -6.798 8.439 1.00 0.00 H new ATOM 0 HA PHE A 100 1.316 -5.432 8.065 1.00 0.00 H new ATOM 0 HB2 PHE A 100 0.437 -6.994 6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.022 -6.044 6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.711 -5.477 6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.080 -4.576 4.356 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.862 -4.031 4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 100 0.075 -3.144 2.678 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.546 -2.870 2.771 1.00 0.00 H new ATOM 921 N ILE A 101 -1.458 -3.650 7.832 1.00 0.00 N ATOM 922 CA ILE A 101 -1.936 -2.243 7.820 1.00 0.00 C ATOM 923 C ILE A 101 -1.526 -1.578 9.133 1.00 0.00 C ATOM 924 O ILE A 101 -1.157 -0.420 9.160 1.00 0.00 O ATOM 925 CB ILE A 101 -3.462 -2.221 7.633 1.00 0.00 C ATOM 926 CG1 ILE A 101 -3.780 -2.810 6.247 1.00 0.00 C ATOM 927 CG2 ILE A 101 -4.002 -0.783 7.726 1.00 0.00 C ATOM 928 CD1 ILE A 101 -5.251 -2.574 5.883 1.00 0.00 C ATOM 0 H ILE A 101 -2.189 -4.360 7.877 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.490 -1.691 6.993 1.00 0.00 H new ATOM 0 HB ILE A 101 -3.937 -2.809 8.418 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.136 -2.353 5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.566 -3.879 6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.084 -0.791 7.591 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.762 -0.367 8.704 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.544 -0.171 6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.455 -2.998 4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -5.891 -3.053 6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.454 -1.503 5.866 1.00 0.00 H new ATOM 940 N ARG A 102 -1.565 -2.297 10.218 1.00 0.00 N ATOM 941 CA ARG A 102 -1.153 -1.692 11.510 1.00 0.00 C ATOM 942 C ARG A 102 0.311 -1.269 11.389 1.00 0.00 C ATOM 943 O ARG A 102 0.770 -0.374 12.070 1.00 0.00 O ATOM 944 CB ARG A 102 -1.338 -2.718 12.641 1.00 0.00 C ATOM 945 CG ARG A 102 -0.549 -2.293 13.905 1.00 0.00 C ATOM 946 CD ARG A 102 0.908 -2.815 13.873 1.00 0.00 C ATOM 947 NE ARG A 102 1.299 -3.281 15.243 1.00 0.00 N ATOM 948 CZ ARG A 102 1.071 -2.543 16.298 1.00 0.00 C ATOM 949 NH1 ARG A 102 0.650 -1.316 16.171 1.00 0.00 N ATOM 950 NH2 ARG A 102 1.316 -3.023 17.487 1.00 0.00 N ATOM 0 H ARG A 102 -1.863 -3.271 10.265 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.765 -0.821 11.744 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.397 -2.813 12.883 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.998 -3.699 12.308 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.544 -1.206 13.983 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.053 -2.674 14.794 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.997 -3.634 13.159 1.00 0.00 H new ATOM 0 HD3 ARG A 102 1.582 -2.026 13.539 1.00 0.00 H new ATOM 0 HE ARG A 102 1.750 -4.189 15.354 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.495 -0.923 15.242 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.475 -0.748 17.000 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.683 -3.969 17.589 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.140 -2.452 18.314 1.00 0.00 H new ATOM 964 N GLN A 103 1.044 -1.891 10.503 1.00 0.00 N ATOM 965 CA GLN A 103 2.469 -1.511 10.313 1.00 0.00 C ATOM 966 C GLN A 103 2.523 -0.309 9.368 1.00 0.00 C ATOM 967 O GLN A 103 3.454 0.469 9.392 1.00 0.00 O ATOM 968 CB GLN A 103 3.238 -2.687 9.704 1.00 0.00 C ATOM 969 CG GLN A 103 3.538 -3.723 10.790 1.00 0.00 C ATOM 970 CD GLN A 103 4.395 -4.846 10.201 1.00 0.00 C ATOM 971 OE1 GLN A 103 5.367 -5.261 10.799 1.00 0.00 O ATOM 972 NE2 GLN A 103 4.071 -5.359 9.045 1.00 0.00 N ATOM 0 H GLN A 103 0.714 -2.647 9.903 1.00 0.00 H new ATOM 0 HA GLN A 103 2.923 -1.255 11.270 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.653 -3.142 8.905 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.168 -2.334 9.257 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.060 -3.252 11.623 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.608 -4.130 11.186 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.254 -5.010 8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 103 4.634 -6.109 8.644 1.00 0.00 H new ATOM 981 N LEU A 104 1.520 -0.141 8.545 1.00 0.00 N ATOM 982 CA LEU A 104 1.517 1.028 7.621 1.00 0.00 C ATOM 983 C LEU A 104 1.249 2.286 8.443 1.00 0.00 C ATOM 984 O LEU A 104 1.915 3.291 8.292 1.00 0.00 O ATOM 985 CB LEU A 104 0.423 0.870 6.551 1.00 0.00 C ATOM 986 CG LEU A 104 0.806 -0.209 5.520 1.00 0.00 C ATOM 987 CD1 LEU A 104 -0.316 -0.317 4.481 1.00 0.00 C ATOM 988 CD2 LEU A 104 2.131 0.159 4.809 1.00 0.00 C ATOM 0 H LEU A 104 0.711 -0.758 8.474 1.00 0.00 H new ATOM 0 HA LEU A 104 2.481 1.097 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.520 0.603 7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.266 1.822 6.044 1.00 0.00 H new ATOM 0 HG LEU A 104 0.943 -1.161 6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.058 -1.078 3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.246 -0.593 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.443 0.643 3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.383 -0.616 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.015 1.113 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.929 0.240 5.547 1.00 0.00 H new ATOM 1000 N ASN A 105 0.292 2.236 9.330 1.00 0.00 N ATOM 1001 CA ASN A 105 0.008 3.428 10.171 1.00 0.00 C ATOM 1002 C ASN A 105 1.156 3.600 11.165 1.00 0.00 C ATOM 1003 O ASN A 105 1.181 4.520 11.959 1.00 0.00 O ATOM 1004 CB ASN A 105 -1.321 3.231 10.918 1.00 0.00 C ATOM 1005 CG ASN A 105 -1.209 2.084 11.931 1.00 0.00 C ATOM 1006 OD1 ASN A 105 -0.140 1.767 12.407 1.00 0.00 O ATOM 1007 ND2 ASN A 105 -2.291 1.448 12.289 1.00 0.00 N ATOM 0 H ASN A 105 -0.301 1.425 9.506 1.00 0.00 H new ATOM 0 HA ASN A 105 -0.077 4.319 9.549 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -1.595 4.152 11.433 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -2.117 3.016 10.205 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.235 0.688 12.967 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.193 1.711 11.891 1.00 0.00 H new ATOM 1014 N MET A 106 2.108 2.703 11.122 1.00 0.00 N ATOM 1015 CA MET A 106 3.270 2.776 12.053 1.00 0.00 C ATOM 1016 C MET A 106 4.402 3.578 11.402 1.00 0.00 C ATOM 1017 O MET A 106 5.133 4.285 12.067 1.00 0.00 O ATOM 1018 CB MET A 106 3.757 1.354 12.353 1.00 0.00 C ATOM 1019 CG MET A 106 4.651 1.356 13.595 1.00 0.00 C ATOM 1020 SD MET A 106 5.684 -0.132 13.595 1.00 0.00 S ATOM 1021 CE MET A 106 4.579 -1.180 14.573 1.00 0.00 C ATOM 0 H MET A 106 2.128 1.916 10.474 1.00 0.00 H new ATOM 0 HA MET A 106 2.970 3.268 12.978 1.00 0.00 H new ATOM 0 HB2 MET A 106 2.904 0.695 12.511 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.309 0.962 11.499 1.00 0.00 H new ATOM 0 HG2 MET A 106 5.278 2.247 13.604 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.039 1.388 14.497 1.00 0.00 H new ATOM 0 HE1 MET A 106 5.086 -2.113 14.819 1.00 0.00 H new ATOM 0 HE2 MET A 106 4.306 -0.662 15.492 1.00 0.00 H new ATOM 0 HE3 MET A 106 3.679 -1.397 13.997 1.00 0.00 H new ATOM 1031 N TYR A 107 4.558 3.475 10.109 1.00 0.00 N ATOM 1032 CA TYR A 107 5.646 4.233 9.430 1.00 0.00 C ATOM 1033 C TYR A 107 5.209 5.687 9.232 1.00 0.00 C ATOM 1034 O TYR A 107 6.010 6.596 9.319 1.00 0.00 O ATOM 1035 CB TYR A 107 5.953 3.597 8.071 1.00 0.00 C ATOM 1036 CG TYR A 107 6.099 2.092 8.211 1.00 0.00 C ATOM 1037 CD1 TYR A 107 6.995 1.544 9.156 1.00 0.00 C ATOM 1038 CD2 TYR A 107 5.344 1.234 7.386 1.00 0.00 C ATOM 1039 CE1 TYR A 107 7.127 0.147 9.273 1.00 0.00 C ATOM 1040 CE2 TYR A 107 5.478 -0.163 7.504 1.00 0.00 C ATOM 1041 CZ TYR A 107 6.369 -0.706 8.448 1.00 0.00 C ATOM 1042 OH TYR A 107 6.501 -2.075 8.565 1.00 0.00 O ATOM 0 H TYR A 107 3.980 2.900 9.496 1.00 0.00 H new ATOM 0 HA TYR A 107 6.544 4.205 10.048 1.00 0.00 H new ATOM 0 HB2 TYR A 107 5.154 3.827 7.366 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.870 4.021 7.663 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.579 2.196 9.789 1.00 0.00 H new ATOM 0 HD2 TYR A 107 4.660 1.649 6.661 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.811 -0.271 9.997 1.00 0.00 H new ATOM 0 HE2 TYR A 107 4.897 -0.817 6.870 1.00 0.00 H new ATOM 0 HH TYR A 107 6.370 -2.492 7.688 1.00 0.00 H new ATOM 1052 N GLY A 108 3.944 5.915 8.975 1.00 0.00 N ATOM 1053 CA GLY A 108 3.446 7.315 8.778 1.00 0.00 C ATOM 1054 C GLY A 108 2.541 7.370 7.547 1.00 0.00 C ATOM 1055 O GLY A 108 2.460 8.375 6.870 1.00 0.00 O ATOM 0 H GLY A 108 3.231 5.190 8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.897 7.644 9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.287 7.997 8.654 1.00 0.00 H new ATOM 1059 N PHE A 109 1.859 6.299 7.250 1.00 0.00 N ATOM 1060 CA PHE A 109 0.961 6.294 6.062 1.00 0.00 C ATOM 1061 C PHE A 109 -0.366 6.973 6.423 1.00 0.00 C ATOM 1062 O PHE A 109 -0.710 7.125 7.578 1.00 0.00 O ATOM 1063 CB PHE A 109 0.696 4.840 5.632 1.00 0.00 C ATOM 1064 CG PHE A 109 1.786 4.364 4.700 1.00 0.00 C ATOM 1065 CD1 PHE A 109 2.959 3.787 5.219 1.00 0.00 C ATOM 1066 CD2 PHE A 109 1.622 4.494 3.307 1.00 0.00 C ATOM 1067 CE1 PHE A 109 3.968 3.335 4.345 1.00 0.00 C ATOM 1068 CE2 PHE A 109 2.632 4.045 2.436 1.00 0.00 C ATOM 1069 CZ PHE A 109 3.803 3.464 2.955 1.00 0.00 C ATOM 0 H PHE A 109 1.885 5.427 7.779 1.00 0.00 H new ATOM 0 HA PHE A 109 1.433 6.836 5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.652 4.196 6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -0.272 4.770 5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.086 3.690 6.287 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.722 4.938 2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.868 2.890 4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.508 4.147 1.368 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.576 3.117 2.285 1.00 0.00 H new ATOM 1079 N HIS A 110 -1.114 7.370 5.430 1.00 0.00 N ATOM 1080 CA HIS A 110 -2.429 8.030 5.676 1.00 0.00 C ATOM 1081 C HIS A 110 -3.347 7.709 4.499 1.00 0.00 C ATOM 1082 O HIS A 110 -3.350 8.399 3.500 1.00 0.00 O ATOM 1083 CB HIS A 110 -2.228 9.547 5.786 1.00 0.00 C ATOM 1084 CG HIS A 110 -3.561 10.252 5.794 1.00 0.00 C ATOM 1085 ND1 HIS A 110 -4.851 9.792 5.924 1.00 0.00 N flip ATOM 1086 CD2 HIS A 110 -3.664 11.627 5.655 1.00 0.00 C flip ATOM 1087 CE1 HIS A 110 -5.737 10.864 5.865 1.00 0.00 C flip ATOM 1088 NE2 HIS A 110 -4.970 11.945 5.703 1.00 0.00 N flip ATOM 0 H HIS A 110 -0.867 7.264 4.446 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.871 7.669 6.605 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.679 9.783 6.697 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -1.626 9.903 4.950 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -2.844 12.318 5.531 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -6.814 10.829 5.935 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -5.331 12.896 5.625 1.00 0.00 H new ATOM 1096 N LYS A 111 -4.111 6.654 4.594 1.00 0.00 N ATOM 1097 CA LYS A 111 -5.005 6.283 3.467 1.00 0.00 C ATOM 1098 C LYS A 111 -6.258 7.163 3.475 1.00 0.00 C ATOM 1099 O LYS A 111 -6.751 7.555 4.514 1.00 0.00 O ATOM 1100 CB LYS A 111 -5.394 4.810 3.593 1.00 0.00 C ATOM 1101 CG LYS A 111 -6.224 4.586 4.864 1.00 0.00 C ATOM 1102 CD LYS A 111 -6.225 3.080 5.237 1.00 0.00 C ATOM 1103 CE LYS A 111 -7.585 2.662 5.824 1.00 0.00 C ATOM 1104 NZ LYS A 111 -7.384 1.529 6.771 1.00 0.00 N ATOM 0 H LYS A 111 -4.152 6.035 5.404 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.480 6.438 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.966 4.502 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.497 4.191 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.812 5.172 5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.246 4.931 4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -6.007 2.482 4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.435 2.880 5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.046 3.505 6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.264 2.367 5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.301 1.243 7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.961 0.725 6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.750 1.827 7.539 1.00 0.00 H new ATOM 1118 N ILE A 112 -6.761 7.496 2.311 1.00 0.00 N ATOM 1119 CA ILE A 112 -7.969 8.375 2.227 1.00 0.00 C ATOM 1120 C ILE A 112 -9.248 7.521 2.134 1.00 0.00 C ATOM 1121 O ILE A 112 -9.845 7.399 1.083 1.00 0.00 O ATOM 1122 CB ILE A 112 -7.861 9.269 0.972 1.00 0.00 C ATOM 1123 CG1 ILE A 112 -6.397 9.700 0.733 1.00 0.00 C ATOM 1124 CG2 ILE A 112 -8.768 10.504 1.118 1.00 0.00 C ATOM 1125 CD1 ILE A 112 -5.722 10.188 2.029 1.00 0.00 C ATOM 0 H ILE A 112 -6.385 7.195 1.412 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.021 8.993 3.123 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.192 8.692 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.834 8.861 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.370 10.495 -0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.682 11.126 0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.803 10.183 1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -8.462 11.079 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.694 10.481 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.269 11.044 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.725 9.384 2.765 1.00 0.00 H new ATOM 1137 N THR A 113 -9.688 6.945 3.220 1.00 0.00 N ATOM 1138 CA THR A 113 -10.938 6.131 3.167 1.00 0.00 C ATOM 1139 C THR A 113 -11.518 5.980 4.573 1.00 0.00 C ATOM 1140 O THR A 113 -11.618 4.894 5.107 1.00 0.00 O ATOM 1141 CB THR A 113 -10.647 4.750 2.573 1.00 0.00 C ATOM 1142 OG1 THR A 113 -11.805 3.937 2.691 1.00 0.00 O ATOM 1143 CG2 THR A 113 -9.478 4.077 3.306 1.00 0.00 C ATOM 0 H THR A 113 -9.241 7.001 4.135 1.00 0.00 H new ATOM 0 HA THR A 113 -11.663 6.640 2.532 1.00 0.00 H new ATOM 0 HB THR A 113 -10.377 4.871 1.524 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.929 3.678 3.628 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.289 3.097 2.867 1.00 0.00 H new ATOM 0 HG22 THR A 113 -8.585 4.695 3.212 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.729 3.960 4.360 1.00 0.00 H new ATOM 1151 N SER A 114 -11.909 7.068 5.171 1.00 0.00 N ATOM 1152 CA SER A 114 -12.490 7.002 6.541 1.00 0.00 C ATOM 1153 C SER A 114 -12.881 8.410 6.995 1.00 0.00 C ATOM 1154 O SER A 114 -13.645 8.583 7.925 1.00 0.00 O ATOM 1155 CB SER A 114 -11.454 6.425 7.506 1.00 0.00 C ATOM 1156 OG SER A 114 -11.804 6.782 8.837 1.00 0.00 O ATOM 0 H SER A 114 -11.852 8.004 4.770 1.00 0.00 H new ATOM 0 HA SER A 114 -13.373 6.363 6.532 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.412 5.340 7.407 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.462 6.806 7.264 1.00 0.00 H new ATOM 0 HG SER A 114 -11.143 6.413 9.459 1.00 0.00 H new ATOM 1162 N ILE A 115 -12.360 9.417 6.347 1.00 0.00 N ATOM 1163 CA ILE A 115 -12.698 10.816 6.741 1.00 0.00 C ATOM 1164 C ILE A 115 -14.077 11.189 6.188 1.00 0.00 C ATOM 1165 O ILE A 115 -14.420 12.350 6.082 1.00 0.00 O ATOM 1166 CB ILE A 115 -11.635 11.801 6.210 1.00 0.00 C ATOM 1167 CG1 ILE A 115 -11.791 12.025 4.686 1.00 0.00 C ATOM 1168 CG2 ILE A 115 -10.222 11.284 6.532 1.00 0.00 C ATOM 1169 CD1 ILE A 115 -11.864 10.695 3.926 1.00 0.00 C ATOM 0 H ILE A 115 -11.715 9.332 5.562 1.00 0.00 H new ATOM 0 HA ILE A 115 -12.715 10.879 7.829 1.00 0.00 H new ATOM 0 HB ILE A 115 -11.784 12.759 6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -12.693 12.605 4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -10.950 12.611 4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -9.482 11.988 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -10.108 11.185 7.611 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -10.074 10.312 6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -11.973 10.891 2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.950 10.127 4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -12.721 10.121 4.279 1.00 0.00 H new ATOM 1181 N ASP A 116 -14.872 10.215 5.835 1.00 0.00 N ATOM 1182 CA ASP A 116 -16.229 10.513 5.287 1.00 0.00 C ATOM 1183 C ASP A 116 -17.182 9.366 5.628 1.00 0.00 C ATOM 1184 O ASP A 116 -16.863 8.207 5.455 1.00 0.00 O ATOM 1185 CB ASP A 116 -16.142 10.668 3.767 1.00 0.00 C ATOM 1186 CG ASP A 116 -17.500 11.114 3.221 1.00 0.00 C ATOM 1187 OD1 ASP A 116 -17.729 12.310 3.164 1.00 0.00 O ATOM 1188 OD2 ASP A 116 -18.287 10.250 2.871 1.00 0.00 O ATOM 0 H ASP A 116 -14.641 9.224 5.902 1.00 0.00 H new ATOM 0 HA ASP A 116 -16.602 11.438 5.727 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -15.376 11.399 3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -15.847 9.723 3.311 1.00 0.00 H new ATOM 1193 N ASN A 117 -18.354 9.682 6.110 1.00 0.00 N ATOM 1194 CA ASN A 117 -19.333 8.613 6.462 1.00 0.00 C ATOM 1195 C ASN A 117 -20.094 8.184 5.207 1.00 0.00 C ATOM 1196 O ASN A 117 -21.126 8.734 4.876 1.00 0.00 O ATOM 1197 CB ASN A 117 -20.321 9.151 7.501 1.00 0.00 C ATOM 1198 CG ASN A 117 -19.557 9.913 8.585 1.00 0.00 C ATOM 1199 OD1 ASN A 117 -18.332 9.564 8.869 1.00 0.00 O flip ATOM 1200 ND2 ASN A 117 -20.080 10.834 9.181 1.00 0.00 N flip ATOM 0 H ASN A 117 -18.676 10.636 6.275 1.00 0.00 H new ATOM 0 HA ASN A 117 -18.803 7.755 6.874 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -21.047 9.809 7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -20.881 8.329 7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -21.037 11.107 8.959 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -19.561 11.334 9.903 1.00 0.00 H new ATOM 1207 N GLY A 118 -19.594 7.203 4.507 1.00 0.00 N ATOM 1208 CA GLY A 118 -20.287 6.737 3.274 1.00 0.00 C ATOM 1209 C GLY A 118 -19.288 6.020 2.364 1.00 0.00 C ATOM 1210 O GLY A 118 -18.089 6.128 2.535 1.00 0.00 O ATOM 0 H GLY A 118 -18.735 6.704 4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -21.104 6.064 3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -20.728 7.585 2.750 1.00 0.00 H new ATOM 1214 N GLY A 119 -19.770 5.289 1.395 1.00 0.00 N ATOM 1215 CA GLY A 119 -18.845 4.567 0.476 1.00 0.00 C ATOM 1216 C GLY A 119 -19.656 3.815 -0.581 1.00 0.00 C ATOM 1217 O GLY A 119 -20.371 2.879 -0.280 1.00 0.00 O ATOM 0 H GLY A 119 -20.763 5.161 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -18.169 5.274 -0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -18.227 3.868 1.040 1.00 0.00 H new ATOM 1221 N LEU A 120 -19.552 4.216 -1.819 1.00 0.00 N ATOM 1222 CA LEU A 120 -20.316 3.527 -2.899 1.00 0.00 C ATOM 1223 C LEU A 120 -19.549 2.278 -3.346 1.00 0.00 C ATOM 1224 O LEU A 120 -19.184 1.442 -2.543 1.00 0.00 O ATOM 1225 CB LEU A 120 -20.485 4.476 -4.091 1.00 0.00 C ATOM 1226 CG LEU A 120 -21.146 5.785 -3.636 1.00 0.00 C ATOM 1227 CD1 LEU A 120 -20.965 6.849 -4.720 1.00 0.00 C ATOM 1228 CD2 LEU A 120 -22.646 5.565 -3.391 1.00 0.00 C ATOM 0 H LEU A 120 -18.969 4.993 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 120 -21.298 3.238 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -19.514 4.687 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -21.094 4.001 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 120 -20.677 6.114 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -21.434 7.779 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -19.902 7.018 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -21.430 6.509 -5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -23.103 6.501 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -23.120 5.228 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -22.781 4.810 -2.617 1.00 0.00 H new ATOM 1240 N ARG A 121 -19.301 2.146 -4.623 1.00 0.00 N ATOM 1241 CA ARG A 121 -18.557 0.954 -5.124 1.00 0.00 C ATOM 1242 C ARG A 121 -17.876 1.301 -6.451 1.00 0.00 C ATOM 1243 O ARG A 121 -18.048 0.624 -7.445 1.00 0.00 O ATOM 1244 CB ARG A 121 -19.532 -0.209 -5.333 1.00 0.00 C ATOM 1245 CG ARG A 121 -18.753 -1.529 -5.375 1.00 0.00 C ATOM 1246 CD ARG A 121 -19.623 -2.621 -5.989 1.00 0.00 C ATOM 1247 NE ARG A 121 -20.897 -2.734 -5.226 1.00 0.00 N ATOM 1248 CZ ARG A 121 -21.911 -3.375 -5.740 1.00 0.00 C ATOM 1249 NH1 ARG A 121 -21.808 -3.913 -6.926 1.00 0.00 N ATOM 1250 NH2 ARG A 121 -23.027 -3.478 -5.072 1.00 0.00 N ATOM 0 H ARG A 121 -19.582 2.814 -5.341 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.802 0.662 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -20.265 -0.232 -4.526 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -20.085 -0.071 -6.262 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.841 -1.406 -5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -18.450 -1.816 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -19.832 -2.389 -7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -19.093 -3.573 -5.974 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.977 -2.310 -4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.936 -3.832 -7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.600 -4.414 -7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -23.108 -3.057 -4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.818 -3.979 -5.475 1.00 0.00 H new ATOM 1264 N PHE A 122 -17.105 2.353 -6.473 1.00 0.00 N ATOM 1265 CA PHE A 122 -16.413 2.747 -7.733 1.00 0.00 C ATOM 1266 C PHE A 122 -15.400 3.852 -7.427 1.00 0.00 C ATOM 1267 O PHE A 122 -15.650 5.018 -7.655 1.00 0.00 O ATOM 1268 CB PHE A 122 -17.445 3.263 -8.741 1.00 0.00 C ATOM 1269 CG PHE A 122 -16.738 3.776 -9.973 1.00 0.00 C ATOM 1270 CD1 PHE A 122 -16.244 2.867 -10.930 1.00 0.00 C ATOM 1271 CD2 PHE A 122 -16.572 5.161 -10.168 1.00 0.00 C ATOM 1272 CE1 PHE A 122 -15.584 3.344 -12.079 1.00 0.00 C ATOM 1273 CE2 PHE A 122 -15.914 5.637 -11.317 1.00 0.00 C ATOM 1274 CZ PHE A 122 -15.419 4.729 -12.274 1.00 0.00 C ATOM 0 H PHE A 122 -16.924 2.958 -5.672 1.00 0.00 H new ATOM 0 HA PHE A 122 -15.896 1.884 -8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -18.135 2.464 -9.012 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -18.040 4.059 -8.293 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -16.372 1.805 -10.782 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -16.950 5.858 -9.435 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -15.204 2.647 -12.811 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -15.788 6.699 -11.466 1.00 0.00 H new ATOM 0 HZ PHE A 122 -14.914 5.095 -13.156 1.00 0.00 H new ATOM 1284 N ASP A 123 -14.257 3.494 -6.907 1.00 0.00 N ATOM 1285 CA ASP A 123 -13.233 4.525 -6.583 1.00 0.00 C ATOM 1286 C ASP A 123 -13.862 5.595 -5.689 1.00 0.00 C ATOM 1287 O ASP A 123 -14.258 6.647 -6.149 1.00 0.00 O ATOM 1288 CB ASP A 123 -12.725 5.169 -7.874 1.00 0.00 C ATOM 1289 CG ASP A 123 -11.440 5.948 -7.587 1.00 0.00 C ATOM 1290 OD1 ASP A 123 -11.207 6.263 -6.431 1.00 0.00 O ATOM 1291 OD2 ASP A 123 -10.710 6.215 -8.527 1.00 0.00 O ATOM 0 H ASP A 123 -13.989 2.533 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 123 -12.397 4.058 -6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -12.537 4.402 -8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -13.484 5.837 -8.282 1.00 0.00 H new ATOM 1296 N ARG A 124 -13.955 5.334 -4.413 1.00 0.00 N ATOM 1297 CA ARG A 124 -14.556 6.324 -3.485 1.00 0.00 C ATOM 1298 C ARG A 124 -14.356 5.802 -2.071 1.00 0.00 C ATOM 1299 O ARG A 124 -14.155 6.552 -1.135 1.00 0.00 O ATOM 1300 CB ARG A 124 -16.054 6.473 -3.780 1.00 0.00 C ATOM 1301 CG ARG A 124 -16.586 7.760 -3.129 1.00 0.00 C ATOM 1302 CD ARG A 124 -16.233 8.996 -3.994 1.00 0.00 C ATOM 1303 NE ARG A 124 -15.667 10.084 -3.132 1.00 0.00 N ATOM 1304 CZ ARG A 124 -16.242 10.430 -2.010 1.00 0.00 C ATOM 1305 NH1 ARG A 124 -17.376 9.893 -1.654 1.00 0.00 N ATOM 1306 NH2 ARG A 124 -15.689 11.338 -1.251 1.00 0.00 N ATOM 0 H ARG A 124 -13.637 4.470 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 124 -14.086 7.300 -3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -16.221 6.503 -4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -16.597 5.609 -3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -17.667 7.692 -3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -16.159 7.873 -2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -15.512 8.718 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -17.124 9.356 -4.509 1.00 0.00 H new ATOM 0 HE ARG A 124 -14.816 10.564 -3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -17.821 9.197 -2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -17.818 10.169 -0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -14.812 11.774 -1.534 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -16.135 11.611 -0.375 1.00 0.00 H new ATOM 1320 N ASP A 125 -14.387 4.502 -1.925 1.00 0.00 N ATOM 1321 CA ASP A 125 -14.174 3.869 -0.595 1.00 0.00 C ATOM 1322 C ASP A 125 -13.102 2.798 -0.755 1.00 0.00 C ATOM 1323 O ASP A 125 -13.085 1.798 -0.065 1.00 0.00 O ATOM 1324 CB ASP A 125 -15.478 3.233 -0.107 1.00 0.00 C ATOM 1325 CG ASP A 125 -15.354 2.890 1.378 1.00 0.00 C ATOM 1326 OD1 ASP A 125 -14.336 3.223 1.961 1.00 0.00 O ATOM 1327 OD2 ASP A 125 -16.281 2.298 1.909 1.00 0.00 O ATOM 0 H ASP A 125 -14.554 3.844 -2.686 1.00 0.00 H new ATOM 0 HA ASP A 125 -13.861 4.614 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -16.311 3.919 -0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -15.693 2.333 -0.682 1.00 0.00 H new ATOM 1332 N GLU A 126 -12.208 3.017 -1.675 1.00 0.00 N ATOM 1333 CA GLU A 126 -11.116 2.039 -1.923 1.00 0.00 C ATOM 1334 C GLU A 126 -9.964 2.307 -0.953 1.00 0.00 C ATOM 1335 O GLU A 126 -9.604 3.440 -0.708 1.00 0.00 O ATOM 1336 CB GLU A 126 -10.633 2.195 -3.365 1.00 0.00 C ATOM 1337 CG GLU A 126 -10.042 3.594 -3.566 1.00 0.00 C ATOM 1338 CD GLU A 126 -9.737 3.809 -5.050 1.00 0.00 C ATOM 1339 OE1 GLU A 126 -9.882 2.863 -5.807 1.00 0.00 O ATOM 1340 OE2 GLU A 126 -9.364 4.915 -5.403 1.00 0.00 O ATOM 0 H GLU A 126 -12.187 3.843 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.480 1.023 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -9.883 1.437 -3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.462 2.038 -4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.743 4.351 -3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.132 3.704 -2.977 1.00 0.00 H new ATOM 1347 N ILE A 127 -9.383 1.275 -0.401 1.00 0.00 N ATOM 1348 CA ILE A 127 -8.249 1.468 0.550 1.00 0.00 C ATOM 1349 C ILE A 127 -7.096 2.153 -0.203 1.00 0.00 C ATOM 1350 O ILE A 127 -6.128 1.540 -0.599 1.00 0.00 O ATOM 1351 CB ILE A 127 -7.832 0.093 1.112 1.00 0.00 C ATOM 1352 CG1 ILE A 127 -6.626 0.231 2.059 1.00 0.00 C ATOM 1353 CG2 ILE A 127 -7.483 -0.870 -0.027 1.00 0.00 C ATOM 1354 CD1 ILE A 127 -6.124 -1.165 2.447 1.00 0.00 C ATOM 0 H ILE A 127 -9.646 0.304 -0.568 1.00 0.00 H new ATOM 0 HA ILE A 127 -8.535 2.101 1.390 1.00 0.00 H new ATOM 0 HB ILE A 127 -8.676 -0.308 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -5.830 0.794 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -6.911 0.788 2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -7.191 -1.835 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -8.352 -1.001 -0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -6.657 -0.461 -0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -5.270 -1.071 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -6.922 -1.712 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -5.823 -1.706 1.550 1.00 0.00 H new ATOM 1366 N GLU A 128 -7.211 3.435 -0.415 1.00 0.00 N ATOM 1367 CA GLU A 128 -6.151 4.180 -1.153 1.00 0.00 C ATOM 1368 C GLU A 128 -5.065 4.630 -0.173 1.00 0.00 C ATOM 1369 O GLU A 128 -5.244 5.569 0.568 1.00 0.00 O ATOM 1370 CB GLU A 128 -6.800 5.399 -1.843 1.00 0.00 C ATOM 1371 CG GLU A 128 -5.766 6.498 -2.144 1.00 0.00 C ATOM 1372 CD GLU A 128 -4.477 5.877 -2.685 1.00 0.00 C ATOM 1373 OE1 GLU A 128 -4.565 5.077 -3.600 1.00 0.00 O ATOM 1374 OE2 GLU A 128 -3.424 6.208 -2.168 1.00 0.00 O ATOM 0 H GLU A 128 -8.000 4.003 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 128 -5.690 3.541 -1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -7.275 5.082 -2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.586 5.803 -1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -6.173 7.201 -2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -5.553 7.065 -1.238 1.00 0.00 H new ATOM 1381 N PHE A 129 -3.933 3.972 -0.177 1.00 0.00 N ATOM 1382 CA PHE A 129 -2.832 4.374 0.746 1.00 0.00 C ATOM 1383 C PHE A 129 -2.119 5.598 0.173 1.00 0.00 C ATOM 1384 O PHE A 129 -1.465 5.522 -0.849 1.00 0.00 O ATOM 1385 CB PHE A 129 -1.829 3.221 0.893 1.00 0.00 C ATOM 1386 CG PHE A 129 -2.343 2.226 1.905 1.00 0.00 C ATOM 1387 CD1 PHE A 129 -2.486 2.614 3.251 1.00 0.00 C ATOM 1388 CD2 PHE A 129 -2.677 0.917 1.510 1.00 0.00 C ATOM 1389 CE1 PHE A 129 -2.966 1.695 4.200 1.00 0.00 C ATOM 1390 CE2 PHE A 129 -3.157 -0.003 2.460 1.00 0.00 C ATOM 1391 CZ PHE A 129 -3.303 0.390 3.806 1.00 0.00 C ATOM 0 H PHE A 129 -3.725 3.175 -0.779 1.00 0.00 H new ATOM 0 HA PHE A 129 -3.248 4.613 1.725 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -1.679 2.731 -0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -0.860 3.607 1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -2.227 3.618 3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -2.565 0.619 0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -3.076 1.993 5.232 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -3.413 -1.008 2.159 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.675 -0.314 4.536 1.00 0.00 H new ATOM 1401 N SER A 130 -2.241 6.726 0.827 1.00 0.00 N ATOM 1402 CA SER A 130 -1.575 7.967 0.329 1.00 0.00 C ATOM 1403 C SER A 130 -0.245 8.169 1.051 1.00 0.00 C ATOM 1404 O SER A 130 -0.165 8.125 2.263 1.00 0.00 O ATOM 1405 CB SER A 130 -2.483 9.172 0.588 1.00 0.00 C ATOM 1406 OG SER A 130 -2.209 9.696 1.881 1.00 0.00 O ATOM 0 H SER A 130 -2.776 6.840 1.688 1.00 0.00 H new ATOM 0 HA SER A 130 -1.391 7.870 -0.741 1.00 0.00 H new ATOM 0 HB2 SER A 130 -2.316 9.937 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 130 -3.530 8.876 0.517 1.00 0.00 H new ATOM 0 HG SER A 130 -2.226 8.970 2.539 1.00 0.00 H new ATOM 1412 N HIS A 131 0.801 8.396 0.305 1.00 0.00 N ATOM 1413 CA HIS A 131 2.141 8.611 0.918 1.00 0.00 C ATOM 1414 C HIS A 131 2.961 9.532 -0.012 1.00 0.00 C ATOM 1415 O HIS A 131 3.543 9.051 -0.962 1.00 0.00 O ATOM 1416 CB HIS A 131 2.850 7.258 1.043 1.00 0.00 C ATOM 1417 CG HIS A 131 4.021 7.385 1.977 1.00 0.00 C ATOM 1418 ND1 HIS A 131 4.288 8.552 2.675 1.00 0.00 N ATOM 1419 CD2 HIS A 131 4.999 6.498 2.341 1.00 0.00 C ATOM 1420 CE1 HIS A 131 5.388 8.336 3.418 1.00 0.00 C ATOM 1421 NE2 HIS A 131 5.863 7.098 3.252 1.00 0.00 N ATOM 0 H HIS A 131 0.783 8.442 -0.714 1.00 0.00 H new ATOM 0 HA HIS A 131 2.042 9.066 1.903 1.00 0.00 H new ATOM 0 HB2 HIS A 131 2.155 6.505 1.415 1.00 0.00 H new ATOM 0 HB3 HIS A 131 3.189 6.922 0.063 1.00 0.00 H new ATOM 0 HD1 HIS A 131 3.749 9.417 2.633 1.00 0.00 H new ATOM 0 HD2 HIS A 131 5.086 5.485 1.976 1.00 0.00 H new ATOM 0 HE1 HIS A 131 5.833 9.073 4.070 1.00 0.00 H new ATOM 1429 N PRO A 132 2.985 10.828 0.249 1.00 0.00 N ATOM 1430 CA PRO A 132 3.732 11.765 -0.617 1.00 0.00 C ATOM 1431 C PRO A 132 5.240 11.451 -0.598 1.00 0.00 C ATOM 1432 O PRO A 132 6.055 12.297 -0.906 1.00 0.00 O ATOM 1433 CB PRO A 132 3.437 13.168 -0.034 1.00 0.00 C ATOM 1434 CG PRO A 132 2.469 12.981 1.171 1.00 0.00 C ATOM 1435 CD PRO A 132 2.288 11.463 1.389 1.00 0.00 C ATOM 0 HA PRO A 132 3.429 11.691 -1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 132 4.360 13.651 0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 132 2.987 13.811 -0.791 1.00 0.00 H new ATOM 0 HG2 PRO A 132 2.876 13.451 2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 132 1.509 13.457 0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 132 2.717 11.147 2.340 1.00 0.00 H new ATOM 0 HD3 PRO A 132 1.233 11.190 1.409 1.00 0.00 H new ATOM 1443 N PHE A 133 5.621 10.249 -0.247 1.00 0.00 N ATOM 1444 CA PHE A 133 7.072 9.900 -0.221 1.00 0.00 C ATOM 1445 C PHE A 133 7.251 8.419 -0.573 1.00 0.00 C ATOM 1446 O PHE A 133 7.858 7.672 0.166 1.00 0.00 O ATOM 1447 CB PHE A 133 7.638 10.162 1.182 1.00 0.00 C ATOM 1448 CG PHE A 133 7.881 11.642 1.376 1.00 0.00 C ATOM 1449 CD1 PHE A 133 6.816 12.492 1.730 1.00 0.00 C ATOM 1450 CD2 PHE A 133 9.178 12.170 1.209 1.00 0.00 C ATOM 1451 CE1 PHE A 133 7.046 13.869 1.915 1.00 0.00 C ATOM 1452 CE2 PHE A 133 9.406 13.547 1.394 1.00 0.00 C ATOM 1453 CZ PHE A 133 8.341 14.396 1.748 1.00 0.00 C ATOM 0 H PHE A 133 4.989 9.495 0.023 1.00 0.00 H new ATOM 0 HA PHE A 133 7.603 10.513 -0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 133 6.942 9.798 1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 133 8.570 9.612 1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 133 5.823 12.088 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 133 9.996 11.518 0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 133 6.229 14.521 2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 133 10.399 13.952 1.264 1.00 0.00 H new ATOM 0 HZ PHE A 133 8.517 15.452 1.892 1.00 0.00 H new ATOM 1463 N PHE A 134 6.730 7.983 -1.693 1.00 0.00 N ATOM 1464 CA PHE A 134 6.896 6.549 -2.083 1.00 0.00 C ATOM 1465 C PHE A 134 6.790 6.387 -3.609 1.00 0.00 C ATOM 1466 O PHE A 134 6.565 5.302 -4.106 1.00 0.00 O ATOM 1467 CB PHE A 134 5.833 5.694 -1.383 1.00 0.00 C ATOM 1468 CG PHE A 134 6.002 4.243 -1.774 1.00 0.00 C ATOM 1469 CD1 PHE A 134 7.053 3.484 -1.224 1.00 0.00 C ATOM 1470 CD2 PHE A 134 5.105 3.648 -2.683 1.00 0.00 C ATOM 1471 CE1 PHE A 134 7.207 2.131 -1.584 1.00 0.00 C ATOM 1472 CE2 PHE A 134 5.260 2.295 -3.043 1.00 0.00 C ATOM 1473 CZ PHE A 134 6.311 1.537 -2.493 1.00 0.00 C ATOM 0 H PHE A 134 6.200 8.554 -2.351 1.00 0.00 H new ATOM 0 HA PHE A 134 7.885 6.214 -1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 134 5.921 5.801 -0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 134 4.836 6.040 -1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 134 7.741 3.939 -0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 134 4.298 4.230 -3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 134 8.013 1.549 -1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 134 4.573 1.839 -3.741 1.00 0.00 H new ATOM 0 HZ PHE A 134 6.430 0.500 -2.768 1.00 0.00 H new ATOM 1483 N LYS A 135 6.947 7.450 -4.360 1.00 0.00 N ATOM 1484 CA LYS A 135 6.848 7.330 -5.858 1.00 0.00 C ATOM 1485 C LYS A 135 7.716 8.382 -6.565 1.00 0.00 C ATOM 1486 O LYS A 135 7.305 9.510 -6.752 1.00 0.00 O ATOM 1487 CB LYS A 135 5.396 7.512 -6.313 1.00 0.00 C ATOM 1488 CG LYS A 135 4.752 8.741 -5.620 1.00 0.00 C ATOM 1489 CD LYS A 135 3.534 8.312 -4.806 1.00 0.00 C ATOM 1490 CE LYS A 135 3.954 7.506 -3.579 1.00 0.00 C ATOM 1491 NZ LYS A 135 2.823 7.447 -2.613 1.00 0.00 N ATOM 0 H LYS A 135 7.138 8.389 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 135 7.205 6.335 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 135 5.362 7.640 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 135 4.822 6.615 -6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 135 5.481 9.224 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 135 4.457 9.476 -6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 135 2.973 9.192 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 135 2.868 7.714 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 135 4.246 6.499 -3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 135 4.824 7.965 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 3.124 7.846 -1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 2.021 7.997 -2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 2.532 6.458 -2.479 1.00 0.00 H new ATOM 1505 N ARG A 136 8.892 8.006 -6.996 1.00 0.00 N ATOM 1506 CA ARG A 136 9.780 8.962 -7.732 1.00 0.00 C ATOM 1507 C ARG A 136 9.779 10.341 -7.062 1.00 0.00 C ATOM 1508 O ARG A 136 9.249 10.526 -5.989 1.00 0.00 O ATOM 1509 CB ARG A 136 9.283 9.103 -9.173 1.00 0.00 C ATOM 1510 CG ARG A 136 9.545 7.798 -9.943 1.00 0.00 C ATOM 1511 CD ARG A 136 11.064 7.566 -10.129 1.00 0.00 C ATOM 1512 NE ARG A 136 11.352 7.155 -11.543 1.00 0.00 N ATOM 1513 CZ ARG A 136 10.646 6.230 -12.140 1.00 0.00 C ATOM 1514 NH1 ARG A 136 9.734 5.566 -11.485 1.00 0.00 N ATOM 1515 NH2 ARG A 136 10.877 5.948 -13.394 1.00 0.00 N ATOM 0 H ARG A 136 9.280 7.071 -6.870 1.00 0.00 H new ATOM 0 HA ARG A 136 10.797 8.570 -7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 136 8.217 9.332 -9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 136 9.791 9.934 -9.663 1.00 0.00 H new ATOM 0 HG2 ARG A 136 9.107 6.958 -9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 136 9.057 7.841 -10.917 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.611 8.477 -9.888 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.409 6.795 -9.440 1.00 0.00 H new ATOM 0 HE ARG A 136 12.114 7.606 -12.049 1.00 0.00 H new ATOM 0 HH11 ARG A 136 9.567 5.767 -10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 136 9.188 4.846 -11.959 1.00 0.00 H new ATOM 0 HH21 ARG A 136 11.605 6.448 -13.903 1.00 0.00 H new ATOM 0 HH22 ARG A 136 10.329 5.227 -13.864 1.00 0.00 H new ATOM 1529 N ASN A 137 10.385 11.312 -7.696 1.00 0.00 N ATOM 1530 CA ASN A 137 10.436 12.678 -7.101 1.00 0.00 C ATOM 1531 C ASN A 137 11.179 12.609 -5.766 1.00 0.00 C ATOM 1532 O ASN A 137 11.081 11.637 -5.044 1.00 0.00 O ATOM 1533 CB ASN A 137 9.011 13.202 -6.881 1.00 0.00 C ATOM 1534 CG ASN A 137 8.135 12.807 -8.071 1.00 0.00 C ATOM 1535 OD1 ASN A 137 7.650 11.696 -8.142 1.00 0.00 O ATOM 1536 ND2 ASN A 137 7.908 13.678 -9.016 1.00 0.00 N ATOM 0 H ASN A 137 10.847 11.216 -8.601 1.00 0.00 H new ATOM 0 HA ASN A 137 10.958 13.356 -7.776 1.00 0.00 H new ATOM 0 HB2 ASN A 137 8.599 12.791 -5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 137 9.024 14.286 -6.769 1.00 0.00 H new ATOM 0 HD21 ASN A 137 7.324 13.425 -9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 137 8.315 14.612 -8.958 1.00 0.00 H new ATOM 1543 N SER A 138 11.931 13.620 -5.424 1.00 0.00 N ATOM 1544 CA SER A 138 12.671 13.573 -4.131 1.00 0.00 C ATOM 1545 C SER A 138 13.445 12.241 -4.058 1.00 0.00 C ATOM 1546 O SER A 138 13.031 11.343 -3.357 1.00 0.00 O ATOM 1547 CB SER A 138 11.660 13.659 -2.976 1.00 0.00 C ATOM 1548 OG SER A 138 11.494 15.022 -2.605 1.00 0.00 O ATOM 0 H SER A 138 12.064 14.467 -5.977 1.00 0.00 H new ATOM 0 HA SER A 138 13.371 14.406 -4.057 1.00 0.00 H new ATOM 0 HB2 SER A 138 10.704 13.233 -3.280 1.00 0.00 H new ATOM 0 HB3 SER A 138 12.012 13.077 -2.124 1.00 0.00 H new ATOM 0 HG SER A 138 11.885 15.170 -1.719 1.00 0.00 H new ATOM 1554 N PRO A 139 14.528 12.137 -4.805 1.00 0.00 N ATOM 1555 CA PRO A 139 15.331 10.895 -4.837 1.00 0.00 C ATOM 1556 C PRO A 139 15.842 10.536 -3.429 1.00 0.00 C ATOM 1557 O PRO A 139 17.014 10.641 -3.130 1.00 0.00 O ATOM 1558 CB PRO A 139 16.487 11.197 -5.827 1.00 0.00 C ATOM 1559 CG PRO A 139 16.228 12.610 -6.428 1.00 0.00 C ATOM 1560 CD PRO A 139 15.034 13.228 -5.666 1.00 0.00 C ATOM 0 HA PRO A 139 14.753 10.028 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 139 17.449 11.168 -5.315 1.00 0.00 H new ATOM 0 HB3 PRO A 139 16.523 10.445 -6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 139 17.113 13.238 -6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 139 16.008 12.539 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 139 15.346 14.088 -5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 139 14.264 13.578 -6.354 1.00 0.00 H new ATOM 1568 N PHE A 140 14.958 10.089 -2.574 1.00 0.00 N ATOM 1569 CA PHE A 140 15.357 9.693 -1.189 1.00 0.00 C ATOM 1570 C PHE A 140 14.103 9.292 -0.407 1.00 0.00 C ATOM 1571 O PHE A 140 14.040 9.433 0.798 1.00 0.00 O ATOM 1572 CB PHE A 140 16.054 10.858 -0.469 1.00 0.00 C ATOM 1573 CG PHE A 140 15.289 12.145 -0.682 1.00 0.00 C ATOM 1574 CD1 PHE A 140 14.191 12.456 0.143 1.00 0.00 C ATOM 1575 CD2 PHE A 140 15.682 13.039 -1.697 1.00 0.00 C ATOM 1576 CE1 PHE A 140 13.486 13.659 -0.047 1.00 0.00 C ATOM 1577 CE2 PHE A 140 14.974 14.242 -1.888 1.00 0.00 C ATOM 1578 CZ PHE A 140 13.877 14.552 -1.062 1.00 0.00 C ATOM 0 H PHE A 140 13.965 9.980 -2.779 1.00 0.00 H new ATOM 0 HA PHE A 140 16.052 8.856 -1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 140 16.127 10.643 0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 140 17.072 10.967 -0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 140 13.890 11.771 0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 140 16.526 12.802 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 140 12.644 13.897 0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 140 15.273 14.926 -2.668 1.00 0.00 H new ATOM 0 HZ PHE A 140 13.335 15.475 -1.207 1.00 0.00 H new ATOM 1588 N LEU A 141 13.100 8.792 -1.083 1.00 0.00 N ATOM 1589 CA LEU A 141 11.851 8.388 -0.376 1.00 0.00 C ATOM 1590 C LEU A 141 12.145 7.234 0.587 1.00 0.00 C ATOM 1591 O LEU A 141 12.100 7.388 1.790 1.00 0.00 O ATOM 1592 CB LEU A 141 10.798 7.922 -1.389 1.00 0.00 C ATOM 1593 CG LEU A 141 10.611 8.942 -2.528 1.00 0.00 C ATOM 1594 CD1 LEU A 141 9.287 8.649 -3.273 1.00 0.00 C ATOM 1595 CD2 LEU A 141 10.575 10.369 -1.962 1.00 0.00 C ATOM 0 H LEU A 141 13.094 8.647 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 141 11.476 9.249 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 141 11.096 6.961 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 141 9.847 7.767 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 141 11.448 8.856 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 141 9.155 9.371 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 141 9.319 7.642 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 141 8.452 8.727 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.442 11.080 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 141 9.745 10.462 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 141 11.512 10.579 -1.446 1.00 0.00 H new ATOM 1607 N LEU A 142 12.426 6.077 0.060 1.00 0.00 N ATOM 1608 CA LEU A 142 12.705 4.903 0.932 1.00 0.00 C ATOM 1609 C LEU A 142 13.711 5.289 2.019 1.00 0.00 C ATOM 1610 O LEU A 142 13.481 5.070 3.192 1.00 0.00 O ATOM 1611 CB LEU A 142 13.271 3.769 0.074 1.00 0.00 C ATOM 1612 CG LEU A 142 12.302 3.447 -1.074 1.00 0.00 C ATOM 1613 CD1 LEU A 142 12.991 2.519 -2.075 1.00 0.00 C ATOM 1614 CD2 LEU A 142 11.039 2.763 -0.528 1.00 0.00 C ATOM 0 H LEU A 142 12.475 5.892 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 142 11.783 4.574 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 142 14.242 4.056 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 142 13.429 2.882 0.687 1.00 0.00 H new ATOM 0 HG LEU A 142 12.016 4.376 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 142 12.305 2.289 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 142 13.878 3.010 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 142 13.282 1.595 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 142 10.361 2.540 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 142 11.316 1.836 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 142 10.543 3.426 0.181 1.00 0.00 H new ATOM 1626 N ASP A 143 14.822 5.857 1.644 1.00 0.00 N ATOM 1627 CA ASP A 143 15.834 6.250 2.666 1.00 0.00 C ATOM 1628 C ASP A 143 15.208 7.240 3.653 1.00 0.00 C ATOM 1629 O ASP A 143 15.687 7.416 4.756 1.00 0.00 O ATOM 1630 CB ASP A 143 17.029 6.908 1.972 1.00 0.00 C ATOM 1631 CG ASP A 143 17.778 5.863 1.143 1.00 0.00 C ATOM 1632 OD1 ASP A 143 18.158 4.850 1.707 1.00 0.00 O ATOM 1633 OD2 ASP A 143 17.960 6.093 -0.041 1.00 0.00 O ATOM 0 H ASP A 143 15.074 6.066 0.678 1.00 0.00 H new ATOM 0 HA ASP A 143 16.168 5.364 3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 143 16.688 7.720 1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 143 17.697 7.346 2.713 1.00 0.00 H new ATOM 1638 N GLN A 144 14.145 7.893 3.263 1.00 0.00 N ATOM 1639 CA GLN A 144 13.484 8.880 4.170 1.00 0.00 C ATOM 1640 C GLN A 144 12.355 8.194 4.950 1.00 0.00 C ATOM 1641 O GLN A 144 11.927 8.671 5.982 1.00 0.00 O ATOM 1642 CB GLN A 144 12.918 10.031 3.320 1.00 0.00 C ATOM 1643 CG GLN A 144 11.971 10.922 4.158 1.00 0.00 C ATOM 1644 CD GLN A 144 10.516 10.462 3.990 1.00 0.00 C ATOM 1645 OE1 GLN A 144 10.245 9.285 3.876 1.00 0.00 O ATOM 1646 NE2 GLN A 144 9.563 11.355 3.967 1.00 0.00 N ATOM 0 H GLN A 144 13.703 7.785 2.350 1.00 0.00 H new ATOM 0 HA GLN A 144 14.208 9.274 4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 144 13.736 10.633 2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 144 12.379 9.625 2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 144 12.254 10.877 5.210 1.00 0.00 H new ATOM 0 HG3 GLN A 144 12.069 11.962 3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 144 9.789 12.345 4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 144 8.593 11.062 3.853 1.00 0.00 H new ATOM 1655 N ILE A 145 11.867 7.082 4.468 1.00 0.00 N ATOM 1656 CA ILE A 145 10.766 6.378 5.190 1.00 0.00 C ATOM 1657 C ILE A 145 11.345 5.575 6.360 1.00 0.00 C ATOM 1658 O ILE A 145 12.114 4.654 6.170 1.00 0.00 O ATOM 1659 CB ILE A 145 10.042 5.425 4.221 1.00 0.00 C ATOM 1660 CG1 ILE A 145 9.159 6.240 3.250 1.00 0.00 C ATOM 1661 CG2 ILE A 145 9.165 4.445 5.021 1.00 0.00 C ATOM 1662 CD1 ILE A 145 8.933 5.455 1.941 1.00 0.00 C ATOM 0 H ILE A 145 12.181 6.632 3.609 1.00 0.00 H new ATOM 0 HA ILE A 145 10.059 7.114 5.573 1.00 0.00 H new ATOM 0 HB ILE A 145 10.781 4.864 3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 145 8.200 6.461 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 145 9.635 7.196 3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.653 3.771 4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 145 9.792 3.865 5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 145 8.428 5.004 5.598 1.00 0.00 H new ATOM 0 HD11 ILE A 145 8.309 6.043 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.893 5.256 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.437 4.511 2.164 1.00 0.00 H new ATOM 1674 N LYS A 146 10.967 5.904 7.568 1.00 0.00 N ATOM 1675 CA LYS A 146 11.479 5.142 8.743 1.00 0.00 C ATOM 1676 C LYS A 146 10.448 5.194 9.875 1.00 0.00 C ATOM 1677 O LYS A 146 9.696 6.140 10.001 1.00 0.00 O ATOM 1678 CB LYS A 146 12.810 5.749 9.210 1.00 0.00 C ATOM 1679 CG LYS A 146 13.615 4.713 10.014 1.00 0.00 C ATOM 1680 CD LYS A 146 14.082 3.552 9.100 1.00 0.00 C ATOM 1681 CE LYS A 146 15.423 2.996 9.595 1.00 0.00 C ATOM 1682 NZ LYS A 146 15.639 1.637 9.023 1.00 0.00 N ATOM 0 H LYS A 146 10.327 6.666 7.790 1.00 0.00 H new ATOM 0 HA LYS A 146 11.644 4.102 8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 146 13.389 6.080 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 146 12.621 6.629 9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 146 14.480 5.193 10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 146 13.003 4.320 10.826 1.00 0.00 H new ATOM 0 HD2 LYS A 146 13.332 2.761 9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 146 14.183 3.905 8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 146 16.235 3.660 9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 146 15.430 2.949 10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 16.548 1.260 9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 14.869 1.006 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 15.650 1.695 7.985 1.00 0.00 H new ATOM 1696 N ARG A 147 10.408 4.182 10.700 1.00 0.00 N ATOM 1697 CA ARG A 147 9.426 4.170 11.822 1.00 0.00 C ATOM 1698 C ARG A 147 9.648 5.399 12.707 1.00 0.00 C ATOM 1699 O ARG A 147 10.573 5.448 13.493 1.00 0.00 O ATOM 1700 CB ARG A 147 9.619 2.898 12.652 1.00 0.00 C ATOM 1701 CG ARG A 147 8.399 2.681 13.551 1.00 0.00 C ATOM 1702 CD ARG A 147 8.562 1.372 14.324 1.00 0.00 C ATOM 1703 NE ARG A 147 7.573 1.326 15.438 1.00 0.00 N ATOM 1704 CZ ARG A 147 7.324 0.197 16.043 1.00 0.00 C ATOM 1705 NH1 ARG A 147 7.940 -0.892 15.671 1.00 0.00 N ATOM 1706 NH2 ARG A 147 6.458 0.156 17.019 1.00 0.00 N ATOM 0 H ARG A 147 11.013 3.363 10.645 1.00 0.00 H new ATOM 0 HA ARG A 147 8.413 4.192 11.421 1.00 0.00 H new ATOM 0 HB2 ARG A 147 9.756 2.040 11.994 1.00 0.00 H new ATOM 0 HB3 ARG A 147 10.520 2.981 13.259 1.00 0.00 H new ATOM 0 HG2 ARG A 147 8.292 3.515 14.245 1.00 0.00 H new ATOM 0 HG3 ARG A 147 7.491 2.649 12.949 1.00 0.00 H new ATOM 0 HD2 ARG A 147 8.414 0.523 13.657 1.00 0.00 H new ATOM 0 HD3 ARG A 147 9.575 1.294 14.719 1.00 0.00 H new ATOM 0 HE ARG A 147 7.091 2.177 15.727 1.00 0.00 H new ATOM 0 HH11 ARG A 147 8.616 -0.860 14.908 1.00 0.00 H new ATOM 0 HH12 ARG A 147 7.746 -1.775 16.144 1.00 0.00 H new ATOM 0 HH21 ARG A 147 5.976 1.007 17.309 1.00 0.00 H new ATOM 0 HH22 ARG A 147 6.264 -0.727 17.492 1.00 0.00 H new ATOM 1720 N LYS A 148 8.805 6.391 12.587 1.00 0.00 N ATOM 1721 CA LYS A 148 8.960 7.617 13.420 1.00 0.00 C ATOM 1722 C LYS A 148 10.429 8.059 13.413 1.00 0.00 C ATOM 1723 O LYS A 148 10.900 8.698 14.333 1.00 0.00 O ATOM 1724 CB LYS A 148 8.512 7.307 14.857 1.00 0.00 C ATOM 1725 CG LYS A 148 6.991 7.458 14.978 1.00 0.00 C ATOM 1726 CD LYS A 148 6.297 6.433 14.080 1.00 0.00 C ATOM 1727 CE LYS A 148 4.797 6.423 14.383 1.00 0.00 C ATOM 1728 NZ LYS A 148 4.585 6.137 15.830 1.00 0.00 N ATOM 0 H LYS A 148 8.013 6.403 11.945 1.00 0.00 H new ATOM 0 HA LYS A 148 8.346 8.421 13.014 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.807 6.293 15.128 1.00 0.00 H new ATOM 0 HB3 LYS A 148 9.009 7.981 15.555 1.00 0.00 H new ATOM 0 HG2 LYS A 148 6.683 7.315 16.014 1.00 0.00 H new ATOM 0 HG3 LYS A 148 6.692 8.467 14.693 1.00 0.00 H new ATOM 0 HD2 LYS A 148 6.466 6.679 13.032 1.00 0.00 H new ATOM 0 HD3 LYS A 148 6.719 5.442 14.247 1.00 0.00 H new ATOM 0 HE2 LYS A 148 4.356 7.385 14.123 1.00 0.00 H new ATOM 0 HE3 LYS A 148 4.297 5.669 13.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 3.741 5.540 15.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 5.416 5.640 16.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 4.450 7.031 16.344 1.00 0.00 H new TER 1742 LYS A 148