USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 533 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 38 ASN : amide:sc= 1.02 K(o=-0.064,f=-6.7) USER MOD Set 1.2: A 41 LYS NZ :NH3+ -174:sc= -3.02! (180deg=-3.47!) USER MOD Set 1.3: A 51 TYR OH : rot -171:sc= 1.94 USER MOD Single : A 8 TYR OH : rot 22:sc= 0.675 USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= -0.0154 (180deg=-1.02) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.328 F(o=-1.4,f=-0.33) USER MOD Single : A 19 THR OG1 : rot 15:sc= 0.925 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 1.15 K(o=1.2,f=-0.065) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00817 USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 57 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -148:sc= 1.83 USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.24) USER MOD Single : A 71 ASN : amide:sc= -0.402 K(o=-0.4,f=-1.4!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -114:sc= -0.809 (180deg=-1.72) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 6 -9.669 2.164 3.034 1.00 0.00 N ATOM 24 CA LEU A 6 -8.589 3.140 3.155 1.00 0.00 C ATOM 25 C LEU A 6 -7.269 2.461 2.828 1.00 0.00 C ATOM 26 O LEU A 6 -6.351 3.065 2.269 1.00 0.00 O ATOM 27 CB LEU A 6 -8.541 3.742 4.567 1.00 0.00 C ATOM 28 CG LEU A 6 -9.574 4.836 4.860 1.00 0.00 C ATOM 29 CD1 LEU A 6 -9.477 5.942 3.823 1.00 0.00 C ATOM 30 CD2 LEU A 6 -10.986 4.264 4.909 1.00 0.00 C ATOM 0 HA LEU A 6 -8.770 3.955 2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.677 2.937 5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.546 4.154 4.732 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.354 5.257 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.216 6.713 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.479 6.379 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.667 5.529 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.696 5.064 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.227 3.807 3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.046 3.511 5.694 1.00 0.00 H new ATOM 42 N ARG A 7 -7.204 1.189 3.176 1.00 0.00 N ATOM 43 CA ARG A 7 -6.081 0.337 2.837 1.00 0.00 C ATOM 44 C ARG A 7 -5.963 0.202 1.320 1.00 0.00 C ATOM 45 O ARG A 7 -4.872 0.019 0.782 1.00 0.00 O ATOM 46 CB ARG A 7 -6.272 -1.032 3.496 1.00 0.00 C ATOM 47 CG ARG A 7 -5.168 -1.408 4.473 1.00 0.00 C ATOM 48 CD ARG A 7 -4.939 -0.327 5.522 1.00 0.00 C ATOM 49 NE ARG A 7 -6.146 -0.011 6.286 1.00 0.00 N ATOM 50 CZ ARG A 7 -6.144 0.434 7.545 1.00 0.00 C ATOM 51 NH1 ARG A 7 -4.998 0.587 8.202 1.00 0.00 N ATOM 52 NH2 ARG A 7 -7.287 0.728 8.151 1.00 0.00 N ATOM 0 H ARG A 7 -7.935 0.715 3.706 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.157 0.781 3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.227 -1.041 4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.330 -1.793 2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.426 -2.344 4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.242 -1.582 3.924 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.156 -0.652 6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.578 0.577 5.032 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.048 -0.139 5.827 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.114 0.364 7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.003 0.927 9.164 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.171 0.614 7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.282 1.068 9.113 1.00 0.00 H new ATOM 66 N TYR A 8 -7.101 0.314 0.641 1.00 0.00 N ATOM 67 CA TYR A 8 -7.135 0.309 -0.816 1.00 0.00 C ATOM 68 C TYR A 8 -6.521 1.589 -1.373 1.00 0.00 C ATOM 69 O TYR A 8 -5.784 1.558 -2.361 1.00 0.00 O ATOM 70 CB TYR A 8 -8.573 0.157 -1.325 1.00 0.00 C ATOM 71 CG TYR A 8 -8.715 0.420 -2.808 1.00 0.00 C ATOM 72 CD1 TYR A 8 -8.347 -0.538 -3.739 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.198 1.637 -3.274 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.456 -0.292 -5.092 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.314 1.888 -4.626 1.00 0.00 C ATOM 76 CZ TYR A 8 -8.938 0.921 -5.531 1.00 0.00 C ATOM 77 OH TYR A 8 -9.038 1.169 -6.878 1.00 0.00 O ATOM 0 H TYR A 8 -8.016 0.410 1.081 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.549 -0.542 -1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.923 -0.852 -1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.219 0.844 -0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.969 -1.491 -3.400 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.488 2.399 -2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.164 -1.049 -5.805 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.697 2.837 -4.972 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.077 0.319 -7.365 1.00 0.00 H new ATOM 87 N ALA A 9 -6.835 2.717 -0.739 1.00 0.00 N ATOM 88 CA ALA A 9 -6.293 4.004 -1.156 1.00 0.00 C ATOM 89 C ALA A 9 -4.771 3.964 -1.154 1.00 0.00 C ATOM 90 O ALA A 9 -4.129 4.381 -2.113 1.00 0.00 O ATOM 91 CB ALA A 9 -6.799 5.115 -0.249 1.00 0.00 C ATOM 0 H ALA A 9 -7.462 2.764 0.064 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.632 4.209 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.384 6.069 -0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.887 5.157 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.489 4.917 0.777 1.00 0.00 H new ATOM 97 N ILE A 10 -4.212 3.430 -0.077 1.00 0.00 N ATOM 98 CA ILE A 10 -2.769 3.274 0.052 1.00 0.00 C ATOM 99 C ILE A 10 -2.198 2.493 -1.135 1.00 0.00 C ATOM 100 O ILE A 10 -1.233 2.929 -1.758 1.00 0.00 O ATOM 101 CB ILE A 10 -2.412 2.560 1.376 1.00 0.00 C ATOM 102 CG1 ILE A 10 -2.924 3.379 2.571 1.00 0.00 C ATOM 103 CG2 ILE A 10 -0.910 2.330 1.484 1.00 0.00 C ATOM 104 CD1 ILE A 10 -2.164 4.665 2.811 1.00 0.00 C ATOM 0 H ILE A 10 -4.742 3.094 0.728 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.324 4.269 0.060 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.899 1.585 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.976 3.616 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.869 2.764 3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.686 1.826 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.576 1.710 0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.392 3.289 1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.588 5.183 3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.116 4.437 3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.240 5.302 1.930 1.00 0.00 H new ATOM 116 N LEU A 11 -2.817 1.357 -1.457 1.00 0.00 N ATOM 117 CA LEU A 11 -2.399 0.546 -2.604 1.00 0.00 C ATOM 118 C LEU A 11 -2.415 1.364 -3.892 1.00 0.00 C ATOM 119 O LEU A 11 -1.484 1.295 -4.696 1.00 0.00 O ATOM 120 CB LEU A 11 -3.310 -0.675 -2.769 1.00 0.00 C ATOM 121 CG LEU A 11 -3.118 -1.787 -1.739 1.00 0.00 C ATOM 122 CD1 LEU A 11 -4.219 -2.826 -1.864 1.00 0.00 C ATOM 123 CD2 LEU A 11 -1.755 -2.438 -1.906 1.00 0.00 C ATOM 0 H LEU A 11 -3.610 0.976 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.380 0.211 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.347 -0.341 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.150 -1.093 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.171 -1.345 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.065 -3.610 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.187 -2.353 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.196 -3.262 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.636 -3.228 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.676 -2.865 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.975 -1.689 -1.768 1.00 0.00 H new ATOM 135 N LYS A 12 -3.472 2.148 -4.075 1.00 0.00 N ATOM 136 CA LYS A 12 -3.619 2.959 -5.274 1.00 0.00 C ATOM 137 C LYS A 12 -2.532 4.027 -5.337 1.00 0.00 C ATOM 138 O LYS A 12 -1.897 4.216 -6.370 1.00 0.00 O ATOM 139 CB LYS A 12 -5.006 3.612 -5.320 1.00 0.00 C ATOM 140 CG LYS A 12 -5.332 4.265 -6.659 1.00 0.00 C ATOM 141 CD LYS A 12 -6.763 4.783 -6.706 1.00 0.00 C ATOM 142 CE LYS A 12 -6.875 6.238 -6.263 1.00 0.00 C ATOM 143 NZ LYS A 12 -6.448 6.455 -4.853 1.00 0.00 N ATOM 0 H LYS A 12 -4.238 2.238 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.515 2.305 -6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.761 2.857 -5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.070 4.364 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.642 5.089 -6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.181 3.543 -7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.148 4.686 -7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.391 4.163 -6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.266 6.859 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.907 6.568 -6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.688 7.424 -4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.937 5.777 -4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.420 6.315 -4.776 1.00 0.00 H new ATOM 157 N GLU A 13 -2.308 4.701 -4.217 1.00 0.00 N ATOM 158 CA GLU A 13 -1.307 5.761 -4.143 1.00 0.00 C ATOM 159 C GLU A 13 0.106 5.204 -4.313 1.00 0.00 C ATOM 160 O GLU A 13 0.995 5.892 -4.822 1.00 0.00 O ATOM 161 CB GLU A 13 -1.446 6.528 -2.824 1.00 0.00 C ATOM 162 CG GLU A 13 -2.430 7.695 -2.895 1.00 0.00 C ATOM 163 CD GLU A 13 -3.788 7.310 -3.457 1.00 0.00 C ATOM 164 OE1 GLU A 13 -3.918 7.196 -4.695 1.00 0.00 O ATOM 165 OE2 GLU A 13 -4.741 7.130 -2.674 1.00 0.00 O ATOM 0 H GLU A 13 -2.807 4.533 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.481 6.455 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.769 5.838 -2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.467 6.906 -2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.563 8.109 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.001 8.485 -3.512 1.00 0.00 H new ATOM 172 N ILE A 14 0.312 3.958 -3.900 1.00 0.00 N ATOM 173 CA ILE A 14 1.572 3.271 -4.162 1.00 0.00 C ATOM 174 C ILE A 14 1.779 3.138 -5.668 1.00 0.00 C ATOM 175 O ILE A 14 2.849 3.448 -6.195 1.00 0.00 O ATOM 176 CB ILE A 14 1.611 1.863 -3.515 1.00 0.00 C ATOM 177 CG1 ILE A 14 1.599 1.969 -1.988 1.00 0.00 C ATOM 178 CG2 ILE A 14 2.838 1.085 -3.980 1.00 0.00 C ATOM 179 CD1 ILE A 14 1.536 0.631 -1.287 1.00 0.00 C ATOM 0 H ILE A 14 -0.373 3.405 -3.385 1.00 0.00 H new ATOM 0 HA ILE A 14 2.370 3.867 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 14 0.720 1.323 -3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.494 2.498 -1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.744 2.571 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.843 0.100 -3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.808 0.972 -5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.741 1.626 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.531 0.785 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.627 0.108 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.405 0.034 -1.564 1.00 0.00 H new ATOM 191 N PHE A 15 0.725 2.709 -6.351 1.00 0.00 N ATOM 192 CA PHE A 15 0.761 2.500 -7.791 1.00 0.00 C ATOM 193 C PHE A 15 0.904 3.834 -8.528 1.00 0.00 C ATOM 194 O PHE A 15 1.681 3.952 -9.475 1.00 0.00 O ATOM 195 CB PHE A 15 -0.518 1.783 -8.234 1.00 0.00 C ATOM 196 CG PHE A 15 -0.412 1.080 -9.562 1.00 0.00 C ATOM 197 CD1 PHE A 15 -0.426 1.793 -10.751 1.00 0.00 C ATOM 198 CD2 PHE A 15 -0.315 -0.302 -9.616 1.00 0.00 C ATOM 199 CE1 PHE A 15 -0.341 1.140 -11.968 1.00 0.00 C ATOM 200 CE2 PHE A 15 -0.229 -0.958 -10.829 1.00 0.00 C ATOM 201 CZ PHE A 15 -0.241 -0.237 -12.006 1.00 0.00 C ATOM 0 H PHE A 15 -0.176 2.497 -5.923 1.00 0.00 H new ATOM 0 HA PHE A 15 1.625 1.883 -8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.793 1.054 -7.472 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.328 2.511 -8.286 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.504 2.870 -10.727 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.307 -0.873 -8.699 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.353 1.707 -12.887 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.152 -2.035 -10.856 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.172 -0.749 -12.955 1.00 0.00 H new ATOM 211 N GLU A 16 0.159 4.835 -8.075 1.00 0.00 N ATOM 212 CA GLU A 16 0.154 6.152 -8.710 1.00 0.00 C ATOM 213 C GLU A 16 1.468 6.900 -8.481 1.00 0.00 C ATOM 214 O GLU A 16 1.976 7.569 -9.382 1.00 0.00 O ATOM 215 CB GLU A 16 -1.013 6.986 -8.177 1.00 0.00 C ATOM 216 CG GLU A 16 -2.379 6.429 -8.538 1.00 0.00 C ATOM 217 CD GLU A 16 -2.663 6.495 -10.024 1.00 0.00 C ATOM 218 OE1 GLU A 16 -3.178 7.535 -10.485 1.00 0.00 O ATOM 219 OE2 GLU A 16 -2.373 5.516 -10.738 1.00 0.00 O ATOM 0 H GLU A 16 -0.455 4.761 -7.264 1.00 0.00 H new ATOM 0 HA GLU A 16 0.039 5.998 -9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.934 7.053 -7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.930 8.001 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.444 5.393 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.147 6.985 -8.000 1.00 0.00 H new ATOM 226 N GLY A 17 2.008 6.794 -7.274 1.00 0.00 N ATOM 227 CA GLY A 17 3.220 7.521 -6.933 1.00 0.00 C ATOM 228 C GLY A 17 4.484 6.797 -7.355 1.00 0.00 C ATOM 229 O GLY A 17 5.542 7.415 -7.480 1.00 0.00 O ATOM 0 H GLY A 17 1.629 6.217 -6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.194 8.502 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.246 7.688 -5.856 1.00 0.00 H new ATOM 233 N ASN A 18 4.367 5.481 -7.560 1.00 0.00 N ATOM 234 CA ASN A 18 5.504 4.633 -7.934 1.00 0.00 C ATOM 235 C ASN A 18 6.535 4.604 -6.803 1.00 0.00 C ATOM 236 O ASN A 18 7.695 4.258 -7.018 1.00 0.00 O ATOM 237 CB ASN A 18 6.145 5.127 -9.246 1.00 0.00 C ATOM 238 CG ASN A 18 7.141 4.144 -9.844 1.00 0.00 C ATOM 239 OD1 ASN A 18 6.879 2.851 -9.699 1.00 0.00 O flip ATOM 240 ND2 ASN A 18 8.135 4.543 -10.452 1.00 0.00 N flip ATOM 0 H ASN A 18 3.486 4.975 -7.472 1.00 0.00 H new ATOM 0 HA ASN A 18 5.141 3.618 -8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.358 5.322 -9.974 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.650 6.075 -9.060 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.308 5.544 -10.546 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.785 3.873 -10.862 1.00 0.00 H new ATOM 247 N THR A 19 6.068 4.949 -5.595 1.00 0.00 N ATOM 248 CA THR A 19 6.884 5.007 -4.370 1.00 0.00 C ATOM 249 C THR A 19 8.077 5.972 -4.480 1.00 0.00 C ATOM 250 O THR A 19 8.607 6.219 -5.562 1.00 0.00 O ATOM 251 CB THR A 19 7.357 3.604 -3.893 1.00 0.00 C ATOM 252 OG1 THR A 19 8.049 2.887 -4.924 1.00 0.00 O ATOM 253 CG2 THR A 19 6.172 2.781 -3.418 1.00 0.00 C ATOM 0 H THR A 19 5.092 5.201 -5.437 1.00 0.00 H new ATOM 0 HA THR A 19 6.214 5.407 -3.609 1.00 0.00 H new ATOM 0 HB THR A 19 8.052 3.766 -3.069 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.302 3.506 -5.640 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.518 1.802 -3.087 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.683 3.292 -2.589 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.463 2.658 -4.237 1.00 0.00 H new ATOM 261 N PRO A 20 8.505 6.560 -3.350 1.00 0.00 N ATOM 262 CA PRO A 20 7.901 6.339 -2.041 1.00 0.00 C ATOM 263 C PRO A 20 6.734 7.286 -1.777 1.00 0.00 C ATOM 264 O PRO A 20 6.595 8.322 -2.432 1.00 0.00 O ATOM 265 CB PRO A 20 9.056 6.650 -1.094 1.00 0.00 C ATOM 266 CG PRO A 20 9.834 7.718 -1.788 1.00 0.00 C ATOM 267 CD PRO A 20 9.634 7.506 -3.270 1.00 0.00 C ATOM 0 HA PRO A 20 7.484 5.338 -1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.693 6.990 -0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.669 5.767 -0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.487 8.707 -1.488 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.891 7.659 -1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.406 8.442 -3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.530 7.098 -3.739 1.00 0.00 H new ATOM 275 N LEU A 21 5.894 6.926 -0.825 1.00 0.00 N ATOM 276 CA LEU A 21 4.827 7.804 -0.388 1.00 0.00 C ATOM 277 C LEU A 21 4.828 7.885 1.128 1.00 0.00 C ATOM 278 O LEU A 21 4.721 6.870 1.816 1.00 0.00 O ATOM 279 CB LEU A 21 3.451 7.350 -0.907 1.00 0.00 C ATOM 280 CG LEU A 21 2.986 5.954 -0.477 1.00 0.00 C ATOM 281 CD1 LEU A 21 1.475 5.844 -0.598 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.650 4.884 -1.327 1.00 0.00 C ATOM 0 H LEU A 21 5.931 6.030 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 21 5.010 8.793 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.706 8.074 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.469 7.383 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 21 3.273 5.802 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.157 4.848 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.003 6.590 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.179 6.015 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.307 3.900 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.388 5.036 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.732 4.947 -1.211 1.00 0.00 H new ATOM 294 N SER A 22 4.987 9.089 1.640 1.00 0.00 N ATOM 295 CA SER A 22 5.032 9.309 3.073 1.00 0.00 C ATOM 296 C SER A 22 3.622 9.388 3.647 1.00 0.00 C ATOM 297 O SER A 22 2.651 9.552 2.906 1.00 0.00 O ATOM 298 CB SER A 22 5.793 10.602 3.367 1.00 0.00 C ATOM 299 OG SER A 22 7.037 10.626 2.683 1.00 0.00 O ATOM 0 H SER A 22 5.088 9.936 1.081 1.00 0.00 H new ATOM 0 HA SER A 22 5.547 8.471 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.191 11.459 3.065 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.962 10.693 4.440 1.00 0.00 H new ATOM 0 HG SER A 22 7.505 11.463 2.885 1.00 0.00 H new ATOM 305 N GLU A 23 3.518 9.275 4.964 1.00 0.00 N ATOM 306 CA GLU A 23 2.244 9.405 5.660 1.00 0.00 C ATOM 307 C GLU A 23 1.631 10.785 5.393 1.00 0.00 C ATOM 308 O GLU A 23 0.447 10.898 5.076 1.00 0.00 O ATOM 309 CB GLU A 23 2.422 9.148 7.175 1.00 0.00 C ATOM 310 CG GLU A 23 3.331 10.136 7.910 1.00 0.00 C ATOM 311 CD GLU A 23 4.706 10.274 7.287 1.00 0.00 C ATOM 312 OE1 GLU A 23 5.469 9.290 7.271 1.00 0.00 O ATOM 313 OE2 GLU A 23 5.010 11.367 6.765 1.00 0.00 O ATOM 0 H GLU A 23 4.311 9.091 5.579 1.00 0.00 H new ATOM 0 HA GLU A 23 1.555 8.652 5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.439 9.166 7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.822 8.143 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.850 11.114 7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.441 9.814 8.946 1.00 0.00 H new ATOM 320 N ASN A 24 2.457 11.826 5.476 1.00 0.00 N ATOM 321 CA ASN A 24 2.008 13.191 5.199 1.00 0.00 C ATOM 322 C ASN A 24 1.736 13.386 3.710 1.00 0.00 C ATOM 323 O ASN A 24 0.997 14.284 3.313 1.00 0.00 O ATOM 324 CB ASN A 24 3.055 14.208 5.664 1.00 0.00 C ATOM 325 CG ASN A 24 3.079 14.392 7.172 1.00 0.00 C ATOM 326 OD1 ASN A 24 2.406 15.271 7.713 1.00 0.00 O ATOM 327 ND2 ASN A 24 3.847 13.568 7.866 1.00 0.00 N ATOM 0 H ASN A 24 3.441 11.751 5.733 1.00 0.00 H new ATOM 0 HA ASN A 24 1.081 13.352 5.750 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.040 13.886 5.328 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.855 15.169 5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.895 13.649 8.882 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.391 12.851 7.385 1.00 0.00 H new ATOM 334 N ASP A 25 2.336 12.527 2.897 1.00 0.00 N ATOM 335 CA ASP A 25 2.208 12.610 1.444 1.00 0.00 C ATOM 336 C ASP A 25 0.886 12.001 0.984 1.00 0.00 C ATOM 337 O ASP A 25 0.159 12.597 0.186 1.00 0.00 O ATOM 338 CB ASP A 25 3.391 11.894 0.784 1.00 0.00 C ATOM 339 CG ASP A 25 3.351 11.929 -0.731 1.00 0.00 C ATOM 340 OD1 ASP A 25 3.577 13.011 -1.311 1.00 0.00 O ATOM 341 OD2 ASP A 25 3.144 10.866 -1.347 1.00 0.00 O ATOM 0 H ASP A 25 2.922 11.757 3.221 1.00 0.00 H new ATOM 0 HA ASP A 25 2.215 13.658 1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.319 12.352 1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.407 10.856 1.115 1.00 0.00 H new ATOM 346 N ILE A 26 0.573 10.815 1.507 1.00 0.00 N ATOM 347 CA ILE A 26 -0.690 10.145 1.207 1.00 0.00 C ATOM 348 C ILE A 26 -1.836 10.886 1.903 1.00 0.00 C ATOM 349 O ILE A 26 -2.923 11.035 1.343 1.00 0.00 O ATOM 350 CB ILE A 26 -0.631 8.634 1.614 1.00 0.00 C ATOM 351 CG1 ILE A 26 -1.894 7.841 1.199 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.376 8.478 3.104 1.00 0.00 C ATOM 353 CD1 ILE A 26 -3.108 8.046 2.090 1.00 0.00 C ATOM 0 H ILE A 26 1.180 10.298 2.143 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.870 10.171 0.132 1.00 0.00 H new ATOM 0 HB ILE A 26 0.206 8.207 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.160 8.120 0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.649 6.779 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.340 7.419 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.575 8.945 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.179 8.958 3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.939 7.448 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.869 7.738 3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.388 9.099 2.087 1.00 0.00 H new ATOM 365 N GLY A 27 -1.578 11.381 3.110 1.00 0.00 N ATOM 366 CA GLY A 27 -2.570 12.177 3.805 1.00 0.00 C ATOM 367 C GLY A 27 -3.137 11.486 5.029 1.00 0.00 C ATOM 368 O GLY A 27 -4.322 11.632 5.334 1.00 0.00 O ATOM 0 H GLY A 27 -0.703 11.245 3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.122 13.124 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.384 12.413 3.119 1.00 0.00 H new ATOM 372 N VAL A 28 -2.300 10.736 5.735 1.00 0.00 N ATOM 373 CA VAL A 28 -2.716 10.062 6.961 1.00 0.00 C ATOM 374 C VAL A 28 -1.607 10.134 8.000 1.00 0.00 C ATOM 375 O VAL A 28 -0.488 10.542 7.696 1.00 0.00 O ATOM 376 CB VAL A 28 -3.086 8.575 6.732 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.272 8.443 5.788 1.00 0.00 C ATOM 378 CG2 VAL A 28 -1.892 7.787 6.211 1.00 0.00 C ATOM 0 H VAL A 28 -1.325 10.578 5.479 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.608 10.581 7.312 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.374 8.155 7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.509 7.388 5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.135 8.954 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.023 8.891 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.181 6.747 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.560 8.213 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.079 7.836 6.936 1.00 0.00 H new ATOM 388 N THR A 29 -1.918 9.742 9.222 1.00 0.00 N ATOM 389 CA THR A 29 -0.922 9.697 10.271 1.00 0.00 C ATOM 390 C THR A 29 -0.029 8.478 10.104 1.00 0.00 C ATOM 391 O THR A 29 -0.399 7.518 9.420 1.00 0.00 O ATOM 392 CB THR A 29 -1.579 9.656 11.656 1.00 0.00 C ATOM 393 OG1 THR A 29 -2.586 8.634 11.689 1.00 0.00 O ATOM 394 CG2 THR A 29 -2.196 11.001 11.997 1.00 0.00 C ATOM 0 H THR A 29 -2.852 9.451 9.510 1.00 0.00 H new ATOM 0 HA THR A 29 -0.321 10.603 10.193 1.00 0.00 H new ATOM 0 HB THR A 29 -0.812 9.430 12.396 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.001 8.612 12.577 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.657 10.950 12.984 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.421 11.767 11.998 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.954 11.252 11.255 1.00 0.00 H new ATOM 402 N GLU A 30 1.141 8.519 10.728 1.00 0.00 N ATOM 403 CA GLU A 30 2.080 7.405 10.675 1.00 0.00 C ATOM 404 C GLU A 30 1.411 6.155 11.200 1.00 0.00 C ATOM 405 O GLU A 30 1.447 5.109 10.576 1.00 0.00 O ATOM 406 CB GLU A 30 3.294 7.684 11.547 1.00 0.00 C ATOM 407 CG GLU A 30 3.693 9.137 11.601 1.00 0.00 C ATOM 408 CD GLU A 30 4.827 9.371 12.568 1.00 0.00 C ATOM 409 OE1 GLU A 30 5.952 8.900 12.304 1.00 0.00 O ATOM 410 OE2 GLU A 30 4.592 10.014 13.613 1.00 0.00 O ATOM 0 H GLU A 30 1.464 9.315 11.279 1.00 0.00 H new ATOM 0 HA GLU A 30 2.392 7.274 9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.088 7.337 12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.136 7.101 11.176 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.989 9.470 10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.834 9.739 11.896 1.00 0.00 H new ATOM 417 N ASP A 31 0.788 6.307 12.357 1.00 0.00 N ATOM 418 CA ASP A 31 0.108 5.223 13.050 1.00 0.00 C ATOM 419 C ASP A 31 -0.782 4.418 12.107 1.00 0.00 C ATOM 420 O ASP A 31 -0.757 3.183 12.114 1.00 0.00 O ATOM 421 CB ASP A 31 -0.715 5.817 14.188 1.00 0.00 C ATOM 422 CG ASP A 31 0.157 6.392 15.283 1.00 0.00 C ATOM 423 OD1 ASP A 31 0.612 7.549 15.139 1.00 0.00 O ATOM 424 OD2 ASP A 31 0.408 5.695 16.285 1.00 0.00 O ATOM 0 H ASP A 31 0.739 7.199 12.849 1.00 0.00 H new ATOM 0 HA ASP A 31 0.853 4.533 13.445 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.365 6.599 13.795 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.362 5.046 14.608 1.00 0.00 H new ATOM 429 N GLN A 32 -1.551 5.117 11.281 1.00 0.00 N ATOM 430 CA GLN A 32 -2.419 4.456 10.320 1.00 0.00 C ATOM 431 C GLN A 32 -1.614 3.889 9.153 1.00 0.00 C ATOM 432 O GLN A 32 -1.903 2.799 8.670 1.00 0.00 O ATOM 433 CB GLN A 32 -3.488 5.415 9.803 1.00 0.00 C ATOM 434 CG GLN A 32 -4.485 5.850 10.867 1.00 0.00 C ATOM 435 CD GLN A 32 -5.625 6.681 10.303 1.00 0.00 C ATOM 436 OE1 GLN A 32 -5.354 7.427 9.240 1.00 0.00 O flip ATOM 437 NE2 GLN A 32 -6.740 6.647 10.816 1.00 0.00 N flip ATOM 0 H GLN A 32 -1.590 6.136 11.259 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.911 3.630 10.833 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.002 6.299 9.390 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.028 4.937 8.985 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.894 4.967 11.358 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.965 6.427 11.631 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.908 6.060 11.633 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.499 7.206 10.425 1.00 0.00 H new ATOM 446 N PHE A 33 -0.599 4.631 8.715 1.00 0.00 N ATOM 447 CA PHE A 33 0.246 4.209 7.597 1.00 0.00 C ATOM 448 C PHE A 33 1.027 2.945 7.959 1.00 0.00 C ATOM 449 O PHE A 33 1.073 1.991 7.181 1.00 0.00 O ATOM 450 CB PHE A 33 1.208 5.340 7.210 1.00 0.00 C ATOM 451 CG PHE A 33 2.044 5.046 5.997 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.508 5.171 4.726 1.00 0.00 C ATOM 453 CD2 PHE A 33 3.365 4.651 6.129 1.00 0.00 C ATOM 454 CE1 PHE A 33 2.274 4.905 3.607 1.00 0.00 C ATOM 455 CE2 PHE A 33 4.135 4.385 5.014 1.00 0.00 C ATOM 456 CZ PHE A 33 3.590 4.511 3.753 1.00 0.00 C ATOM 0 H PHE A 33 -0.340 5.531 9.118 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.393 3.982 6.744 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.631 6.247 7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.869 5.545 8.052 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.480 5.480 4.608 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.797 4.550 7.114 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.845 5.005 2.621 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.164 4.078 5.129 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.192 4.302 2.881 1.00 0.00 H new ATOM 466 N ASP A 34 1.630 2.955 9.144 1.00 0.00 N ATOM 467 CA ASP A 34 2.350 1.799 9.677 1.00 0.00 C ATOM 468 C ASP A 34 1.469 0.560 9.655 1.00 0.00 C ATOM 469 O ASP A 34 1.816 -0.459 9.053 1.00 0.00 O ATOM 470 CB ASP A 34 2.798 2.059 11.121 1.00 0.00 C ATOM 471 CG ASP A 34 4.060 2.897 11.234 1.00 0.00 C ATOM 472 OD1 ASP A 34 3.976 4.138 11.143 1.00 0.00 O ATOM 473 OD2 ASP A 34 5.137 2.315 11.467 1.00 0.00 O ATOM 0 H ASP A 34 1.634 3.765 9.764 1.00 0.00 H new ATOM 0 HA ASP A 34 3.224 1.636 9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.992 2.561 11.656 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.963 1.103 11.617 1.00 0.00 H new ATOM 478 N ASP A 35 0.316 0.665 10.306 1.00 0.00 N ATOM 479 CA ASP A 35 -0.618 -0.451 10.398 1.00 0.00 C ATOM 480 C ASP A 35 -1.125 -0.851 9.014 1.00 0.00 C ATOM 481 O ASP A 35 -1.351 -2.029 8.740 1.00 0.00 O ATOM 482 CB ASP A 35 -1.793 -0.084 11.304 1.00 0.00 C ATOM 483 CG ASP A 35 -2.734 -1.247 11.543 1.00 0.00 C ATOM 484 OD1 ASP A 35 -2.370 -2.163 12.308 1.00 0.00 O ATOM 485 OD2 ASP A 35 -3.849 -1.240 10.983 1.00 0.00 O ATOM 0 H ASP A 35 0.005 1.514 10.779 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.091 -1.302 10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.411 0.271 12.261 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.348 0.741 10.856 1.00 0.00 H new ATOM 490 N ALA A 36 -1.284 0.139 8.140 1.00 0.00 N ATOM 491 CA ALA A 36 -1.739 -0.099 6.775 1.00 0.00 C ATOM 492 C ALA A 36 -0.781 -1.013 6.023 1.00 0.00 C ATOM 493 O ALA A 36 -1.193 -2.030 5.463 1.00 0.00 O ATOM 494 CB ALA A 36 -1.895 1.218 6.028 1.00 0.00 C ATOM 0 H ALA A 36 -1.103 1.119 8.356 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.708 -0.594 6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.235 1.022 5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.626 1.843 6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.935 1.734 5.996 1.00 0.00 H new ATOM 500 N VAL A 37 0.497 -0.652 6.024 1.00 0.00 N ATOM 501 CA VAL A 37 1.507 -1.412 5.301 1.00 0.00 C ATOM 502 C VAL A 37 1.659 -2.811 5.890 1.00 0.00 C ATOM 503 O VAL A 37 1.784 -3.795 5.157 1.00 0.00 O ATOM 504 CB VAL A 37 2.876 -0.695 5.309 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.905 -1.486 4.511 1.00 0.00 C ATOM 506 CG2 VAL A 37 2.746 0.716 4.754 1.00 0.00 C ATOM 0 H VAL A 37 0.858 0.164 6.519 1.00 0.00 H new ATOM 0 HA VAL A 37 1.167 -1.492 4.268 1.00 0.00 H new ATOM 0 HB VAL A 37 3.218 -0.630 6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.861 -0.963 4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.024 -2.476 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.567 -1.586 3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.721 1.204 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.377 0.671 3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.047 1.285 5.367 1.00 0.00 H new ATOM 516 N ASN A 38 1.626 -2.902 7.213 1.00 0.00 N ATOM 517 CA ASN A 38 1.739 -4.192 7.880 1.00 0.00 C ATOM 518 C ASN A 38 0.563 -5.090 7.519 1.00 0.00 C ATOM 519 O ASN A 38 0.743 -6.280 7.253 1.00 0.00 O ATOM 520 CB ASN A 38 1.836 -4.035 9.401 1.00 0.00 C ATOM 521 CG ASN A 38 3.114 -3.341 9.839 1.00 0.00 C ATOM 522 OD1 ASN A 38 4.091 -3.292 9.094 1.00 0.00 O ATOM 523 ND2 ASN A 38 3.136 -2.843 11.068 1.00 0.00 N ATOM 0 H ASN A 38 1.523 -2.105 7.841 1.00 0.00 H new ATOM 0 HA ASN A 38 2.660 -4.659 7.531 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.978 -3.466 9.759 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.783 -5.019 9.868 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.983 -2.401 11.424 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.305 -2.902 11.657 1.00 0.00 H new ATOM 530 N PHE A 39 -0.633 -4.509 7.486 1.00 0.00 N ATOM 531 CA PHE A 39 -1.843 -5.247 7.134 1.00 0.00 C ATOM 532 C PHE A 39 -1.777 -5.737 5.691 1.00 0.00 C ATOM 533 O PHE A 39 -2.025 -6.911 5.411 1.00 0.00 O ATOM 534 CB PHE A 39 -3.079 -4.364 7.335 1.00 0.00 C ATOM 535 CG PHE A 39 -4.381 -5.042 6.999 1.00 0.00 C ATOM 536 CD1 PHE A 39 -4.906 -6.018 7.830 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.081 -4.702 5.850 1.00 0.00 C ATOM 538 CE1 PHE A 39 -6.103 -6.641 7.523 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.276 -5.319 5.538 1.00 0.00 C ATOM 540 CZ PHE A 39 -6.788 -6.290 6.376 1.00 0.00 C ATOM 0 H PHE A 39 -0.791 -3.524 7.700 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.917 -6.115 7.789 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.111 -4.034 8.373 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.978 -3.470 6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.375 -6.296 8.728 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.685 -3.944 5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.501 -7.401 8.179 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.809 -5.043 4.640 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.723 -6.774 6.135 1.00 0.00 H new ATOM 550 N LEU A 40 -1.418 -4.835 4.782 1.00 0.00 N ATOM 551 CA LEU A 40 -1.366 -5.152 3.357 1.00 0.00 C ATOM 552 C LEU A 40 -0.347 -6.251 3.073 1.00 0.00 C ATOM 553 O LEU A 40 -0.557 -7.099 2.206 1.00 0.00 O ATOM 554 CB LEU A 40 -1.021 -3.903 2.541 1.00 0.00 C ATOM 555 CG LEU A 40 -2.072 -2.792 2.570 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.572 -1.566 1.820 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.383 -3.283 1.975 1.00 0.00 C ATOM 0 H LEU A 40 -1.158 -3.875 5.008 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.352 -5.511 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.078 -3.498 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.858 -4.200 1.505 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.249 -2.512 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.332 -0.786 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.658 -1.201 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.367 -1.832 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.119 -2.480 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.221 -3.590 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.749 -4.132 2.553 1.00 0.00 H new ATOM 569 N LYS A 41 0.754 -6.234 3.810 1.00 0.00 N ATOM 570 CA LYS A 41 1.812 -7.218 3.629 1.00 0.00 C ATOM 571 C LYS A 41 1.407 -8.564 4.236 1.00 0.00 C ATOM 572 O LYS A 41 1.830 -9.622 3.768 1.00 0.00 O ATOM 573 CB LYS A 41 3.117 -6.696 4.252 1.00 0.00 C ATOM 574 CG LYS A 41 4.344 -7.558 3.975 1.00 0.00 C ATOM 575 CD LYS A 41 4.572 -8.622 5.047 1.00 0.00 C ATOM 576 CE LYS A 41 5.181 -8.042 6.320 1.00 0.00 C ATOM 577 NZ LYS A 41 4.241 -7.155 7.055 1.00 0.00 N ATOM 0 H LYS A 41 0.939 -5.547 4.541 1.00 0.00 H new ATOM 0 HA LYS A 41 1.976 -7.375 2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.305 -5.689 3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.982 -6.616 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.230 -8.043 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.225 -6.919 3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.623 -9.102 5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.230 -9.396 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.490 -8.857 6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.079 -7.480 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.737 -6.709 7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.886 -6.418 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.442 -7.716 7.413 1.00 0.00 H new ATOM 591 N ARG A 42 0.566 -8.516 5.261 1.00 0.00 N ATOM 592 CA ARG A 42 0.141 -9.726 5.958 1.00 0.00 C ATOM 593 C ARG A 42 -0.922 -10.473 5.153 1.00 0.00 C ATOM 594 O ARG A 42 -0.869 -11.696 5.018 1.00 0.00 O ATOM 595 CB ARG A 42 -0.401 -9.376 7.344 1.00 0.00 C ATOM 596 CG ARG A 42 -0.554 -10.580 8.260 1.00 0.00 C ATOM 597 CD ARG A 42 -1.083 -10.172 9.623 1.00 0.00 C ATOM 598 NE ARG A 42 -0.934 -11.239 10.609 1.00 0.00 N ATOM 599 CZ ARG A 42 -1.764 -11.435 11.628 1.00 0.00 C ATOM 600 NH1 ARG A 42 -2.837 -10.664 11.781 1.00 0.00 N ATOM 601 NH2 ARG A 42 -1.518 -12.403 12.497 1.00 0.00 N ATOM 0 H ARG A 42 0.164 -7.654 5.629 1.00 0.00 H new ATOM 0 HA ARG A 42 1.008 -10.377 6.070 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.267 -8.655 7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.370 -8.889 7.234 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.233 -11.302 7.805 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.409 -11.077 8.375 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.553 -9.284 9.967 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.135 -9.902 9.537 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.142 -11.874 10.509 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.027 -9.916 11.114 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.470 -10.820 12.566 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.695 -12.994 12.383 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.152 -12.558 13.281 1.00 0.00 H new ATOM 615 N GLU A 43 -1.885 -9.730 4.617 1.00 0.00 N ATOM 616 CA GLU A 43 -2.949 -10.320 3.804 1.00 0.00 C ATOM 617 C GLU A 43 -2.450 -10.673 2.408 1.00 0.00 C ATOM 618 O GLU A 43 -3.122 -11.385 1.657 1.00 0.00 O ATOM 619 CB GLU A 43 -4.140 -9.371 3.706 1.00 0.00 C ATOM 620 CG GLU A 43 -5.047 -9.404 4.923 1.00 0.00 C ATOM 621 CD GLU A 43 -5.652 -10.776 5.151 1.00 0.00 C ATOM 622 OE1 GLU A 43 -6.432 -11.240 4.290 1.00 0.00 O ATOM 623 OE2 GLU A 43 -5.352 -11.399 6.186 1.00 0.00 O ATOM 0 H GLU A 43 -1.953 -8.718 4.729 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.267 -11.239 4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.773 -8.354 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.724 -9.625 2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.479 -9.108 5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.846 -8.673 4.798 1.00 0.00 H new ATOM 630 N GLY A 44 -1.279 -10.171 2.061 1.00 0.00 N ATOM 631 CA GLY A 44 -0.691 -10.488 0.779 1.00 0.00 C ATOM 632 C GLY A 44 -1.234 -9.627 -0.341 1.00 0.00 C ATOM 633 O GLY A 44 -1.697 -10.138 -1.359 1.00 0.00 O ATOM 0 H GLY A 44 -0.723 -9.547 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.390 -10.361 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.876 -11.537 0.548 1.00 0.00 H new ATOM 637 N TYR A 45 -1.204 -8.320 -0.141 1.00 0.00 N ATOM 638 CA TYR A 45 -1.557 -7.377 -1.192 1.00 0.00 C ATOM 639 C TYR A 45 -0.296 -6.854 -1.860 1.00 0.00 C ATOM 640 O TYR A 45 -0.247 -6.682 -3.079 1.00 0.00 O ATOM 641 CB TYR A 45 -2.374 -6.210 -0.634 1.00 0.00 C ATOM 642 CG TYR A 45 -3.791 -6.572 -0.252 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.785 -6.659 -1.218 1.00 0.00 C ATOM 644 CD2 TYR A 45 -4.137 -6.810 1.069 1.00 0.00 C ATOM 645 CE1 TYR A 45 -6.086 -6.978 -0.876 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.434 -7.131 1.419 1.00 0.00 C ATOM 647 CZ TYR A 45 -6.404 -7.213 0.443 1.00 0.00 C ATOM 648 OH TYR A 45 -7.697 -7.532 0.789 1.00 0.00 O ATOM 0 H TYR A 45 -0.938 -7.885 0.743 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.169 -7.899 -1.928 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.864 -5.811 0.243 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.402 -5.413 -1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.538 -6.474 -2.253 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.380 -6.743 1.837 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.848 -7.042 -1.639 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.687 -7.317 2.452 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.752 -7.668 1.758 1.00 0.00 H new ATOM 658 N ILE A 46 0.725 -6.613 -1.048 1.00 0.00 N ATOM 659 CA ILE A 46 2.006 -6.136 -1.544 1.00 0.00 C ATOM 660 C ILE A 46 3.153 -6.838 -0.827 1.00 0.00 C ATOM 661 O ILE A 46 3.021 -7.238 0.333 1.00 0.00 O ATOM 662 CB ILE A 46 2.155 -4.597 -1.404 1.00 0.00 C ATOM 663 CG1 ILE A 46 1.563 -4.077 -0.084 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.513 -3.884 -2.584 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.432 -4.311 1.132 1.00 0.00 C ATOM 0 H ILE A 46 0.688 -6.742 -0.037 1.00 0.00 H new ATOM 0 HA ILE A 46 2.044 -6.375 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 46 3.223 -4.379 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.377 -3.007 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.597 -4.555 0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.629 -2.807 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.997 -4.201 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.452 -4.132 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.935 -3.912 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.598 -5.381 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.390 -3.809 0.997 1.00 0.00 H new ATOM 677 N ILE A 47 4.263 -7.004 -1.530 1.00 0.00 N ATOM 678 CA ILE A 47 5.453 -7.624 -0.962 1.00 0.00 C ATOM 679 C ILE A 47 6.683 -6.801 -1.317 1.00 0.00 C ATOM 680 O ILE A 47 6.611 -5.898 -2.149 1.00 0.00 O ATOM 681 CB ILE A 47 5.670 -9.090 -1.435 1.00 0.00 C ATOM 682 CG1 ILE A 47 5.895 -9.177 -2.957 1.00 0.00 C ATOM 683 CG2 ILE A 47 4.504 -9.973 -1.009 1.00 0.00 C ATOM 684 CD1 ILE A 47 4.640 -9.039 -3.799 1.00 0.00 C ATOM 0 H ILE A 47 4.366 -6.716 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 47 5.301 -7.652 0.117 1.00 0.00 H new ATOM 0 HB ILE A 47 6.576 -9.456 -0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.599 -8.398 -3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.365 -10.134 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.677 -10.994 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.418 -9.963 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.581 -9.595 -1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.900 -9.113 -4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.940 -9.833 -3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.177 -8.071 -3.607 1.00 0.00 H new ATOM 696 N GLY A 48 7.804 -7.108 -0.686 1.00 0.00 N ATOM 697 CA GLY A 48 9.019 -6.359 -0.936 1.00 0.00 C ATOM 698 C GLY A 48 9.109 -5.150 -0.032 1.00 0.00 C ATOM 699 O GLY A 48 9.762 -4.157 -0.359 1.00 0.00 O ATOM 0 H GLY A 48 7.896 -7.862 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.885 -7.001 -0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.046 -6.041 -1.978 1.00 0.00 H new ATOM 703 N VAL A 49 8.435 -5.237 1.105 1.00 0.00 N ATOM 704 CA VAL A 49 8.423 -4.156 2.075 1.00 0.00 C ATOM 705 C VAL A 49 9.701 -4.171 2.898 1.00 0.00 C ATOM 706 O VAL A 49 10.088 -5.205 3.446 1.00 0.00 O ATOM 707 CB VAL A 49 7.202 -4.252 3.018 1.00 0.00 C ATOM 708 CG1 VAL A 49 7.224 -3.131 4.049 1.00 0.00 C ATOM 709 CG2 VAL A 49 5.909 -4.215 2.220 1.00 0.00 C ATOM 0 H VAL A 49 7.886 -6.052 1.378 1.00 0.00 H new ATOM 0 HA VAL A 49 8.355 -3.220 1.520 1.00 0.00 H new ATOM 0 HB VAL A 49 7.256 -5.203 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.355 -3.219 4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.134 -3.203 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.199 -2.168 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.060 -4.284 2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.852 -3.280 1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.886 -5.054 1.525 1.00 0.00 H new ATOM 719 N HIS A 50 10.361 -3.028 2.967 1.00 0.00 N ATOM 720 CA HIS A 50 11.602 -2.911 3.715 1.00 0.00 C ATOM 721 C HIS A 50 11.313 -2.397 5.116 1.00 0.00 C ATOM 722 O HIS A 50 10.657 -1.368 5.285 1.00 0.00 O ATOM 723 CB HIS A 50 12.585 -1.983 2.992 1.00 0.00 C ATOM 724 CG HIS A 50 13.035 -2.503 1.659 1.00 0.00 C ATOM 725 ND1 HIS A 50 14.319 -2.921 1.411 1.00 0.00 N ATOM 726 CD2 HIS A 50 12.360 -2.666 0.496 1.00 0.00 C ATOM 727 CE1 HIS A 50 14.418 -3.318 0.158 1.00 0.00 C ATOM 728 NE2 HIS A 50 13.241 -3.176 -0.424 1.00 0.00 N ATOM 0 H HIS A 50 10.058 -2.166 2.514 1.00 0.00 H new ATOM 0 HA HIS A 50 12.062 -3.897 3.789 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.116 -1.009 2.853 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.458 -1.829 3.626 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.319 -2.436 0.324 1.00 0.00 H new ATOM 0 HE1 HIS A 50 15.313 -3.696 -0.314 1.00 0.00 H new ATOM 0 HE2 HIS A 50 13.024 -3.407 -1.394 1.00 0.00 H new ATOM 737 N TYR A 51 11.779 -3.123 6.118 1.00 0.00 N ATOM 738 CA TYR A 51 11.517 -2.757 7.499 1.00 0.00 C ATOM 739 C TYR A 51 12.705 -2.058 8.131 1.00 0.00 C ATOM 740 O TYR A 51 13.861 -2.356 7.823 1.00 0.00 O ATOM 741 CB TYR A 51 11.144 -3.987 8.323 1.00 0.00 C ATOM 742 CG TYR A 51 9.672 -4.313 8.277 1.00 0.00 C ATOM 743 CD1 TYR A 51 9.133 -5.065 7.244 1.00 0.00 C ATOM 744 CD2 TYR A 51 8.820 -3.861 9.274 1.00 0.00 C ATOM 745 CE1 TYR A 51 7.785 -5.356 7.207 1.00 0.00 C ATOM 746 CE2 TYR A 51 7.473 -4.149 9.245 1.00 0.00 C ATOM 747 CZ TYR A 51 6.961 -4.896 8.210 1.00 0.00 C ATOM 748 OH TYR A 51 5.618 -5.182 8.181 1.00 0.00 O ATOM 0 H TYR A 51 12.339 -3.967 6.001 1.00 0.00 H new ATOM 0 HA TYR A 51 10.678 -2.061 7.492 1.00 0.00 H new ATOM 0 HB2 TYR A 51 11.710 -4.844 7.959 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.441 -3.825 9.359 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.778 -5.428 6.457 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.220 -3.273 10.087 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.378 -5.941 6.396 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.823 -3.791 10.030 1.00 0.00 H new ATOM 0 HH TYR A 51 5.159 -4.668 8.878 1.00 0.00 H new ATOM 793 N ARG A 55 9.429 -0.327 12.235 1.00 0.00 N ATOM 794 CA ARG A 55 8.396 0.211 11.370 1.00 0.00 C ATOM 795 C ARG A 55 8.754 -0.009 9.908 1.00 0.00 C ATOM 796 O ARG A 55 9.932 -0.022 9.549 1.00 0.00 O ATOM 797 CB ARG A 55 8.236 1.705 11.643 1.00 0.00 C ATOM 798 CG ARG A 55 7.933 2.029 13.098 1.00 0.00 C ATOM 799 CD ARG A 55 7.885 3.529 13.339 1.00 0.00 C ATOM 800 NE ARG A 55 6.875 4.179 12.511 1.00 0.00 N ATOM 801 CZ ARG A 55 6.881 5.475 12.204 1.00 0.00 C ATOM 802 NH1 ARG A 55 7.874 6.259 12.606 1.00 0.00 N ATOM 803 NH2 ARG A 55 5.896 5.979 11.478 1.00 0.00 N ATOM 0 HA ARG A 55 7.458 -0.304 11.577 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.150 2.220 11.348 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.434 2.096 11.018 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.979 1.584 13.379 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.694 1.581 13.737 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.672 3.721 14.390 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.862 3.963 13.127 1.00 0.00 H new ATOM 0 HE ARG A 55 6.116 3.605 12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.641 5.870 13.155 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.870 7.250 12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.139 5.376 11.157 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.894 6.971 11.239 1.00 0.00 H new ATOM 817 N PRO A 56 7.747 -0.191 9.045 1.00 0.00 N ATOM 818 CA PRO A 56 7.962 -0.343 7.606 1.00 0.00 C ATOM 819 C PRO A 56 8.367 0.976 6.953 1.00 0.00 C ATOM 820 O PRO A 56 8.044 2.054 7.458 1.00 0.00 O ATOM 821 CB PRO A 56 6.598 -0.800 7.088 1.00 0.00 C ATOM 822 CG PRO A 56 5.615 -0.269 8.074 1.00 0.00 C ATOM 823 CD PRO A 56 6.316 -0.266 9.405 1.00 0.00 C ATOM 0 HA PRO A 56 8.769 -1.040 7.380 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.404 -0.411 6.088 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.544 -1.887 7.023 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.294 0.736 7.801 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.721 -0.892 8.106 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.012 0.583 10.016 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.093 -1.167 9.977 1.00 0.00 H new ATOM 831 N HIS A 57 9.092 0.892 5.847 1.00 0.00 N ATOM 832 CA HIS A 57 9.507 2.078 5.109 1.00 0.00 C ATOM 833 C HIS A 57 9.498 1.810 3.609 1.00 0.00 C ATOM 834 O HIS A 57 9.826 0.711 3.161 1.00 0.00 O ATOM 835 CB HIS A 57 10.897 2.540 5.558 1.00 0.00 C ATOM 836 CG HIS A 57 10.872 3.776 6.410 1.00 0.00 C ATOM 837 ND1 HIS A 57 9.964 3.977 7.430 1.00 0.00 N ATOM 838 CD2 HIS A 57 11.648 4.884 6.378 1.00 0.00 C ATOM 839 CE1 HIS A 57 10.188 5.153 7.988 1.00 0.00 C ATOM 840 NE2 HIS A 57 11.202 5.722 7.367 1.00 0.00 N ATOM 0 H HIS A 57 9.406 0.012 5.439 1.00 0.00 H new ATOM 0 HA HIS A 57 8.794 2.874 5.323 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.377 1.735 6.114 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.511 2.728 4.677 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.235 3.321 7.709 1.00 0.00 H new ATOM 0 HD2 HIS A 57 12.467 5.073 5.699 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.634 5.576 8.813 1.00 0.00 H new ATOM 849 N LEU A 58 9.112 2.816 2.842 1.00 0.00 N ATOM 850 CA LEU A 58 9.049 2.692 1.393 1.00 0.00 C ATOM 851 C LEU A 58 10.103 3.566 0.731 1.00 0.00 C ATOM 852 O LEU A 58 10.328 4.706 1.137 1.00 0.00 O ATOM 853 CB LEU A 58 7.649 3.045 0.890 1.00 0.00 C ATOM 854 CG LEU A 58 6.549 2.065 1.317 1.00 0.00 C ATOM 855 CD1 LEU A 58 5.184 2.571 0.885 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.814 0.681 0.735 1.00 0.00 C ATOM 0 H LEU A 58 8.836 3.731 3.199 1.00 0.00 H new ATOM 0 HA LEU A 58 9.258 1.656 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.389 4.041 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.670 3.094 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 58 6.558 1.991 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.417 1.862 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.992 3.539 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.161 2.676 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.024 -0.002 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.832 0.741 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.775 0.313 1.094 1.00 0.00 H new ATOM 868 N TYR A 59 10.767 3.009 -0.269 1.00 0.00 N ATOM 869 CA TYR A 59 11.800 3.724 -1.001 1.00 0.00 C ATOM 870 C TYR A 59 11.296 4.079 -2.393 1.00 0.00 C ATOM 871 O TYR A 59 10.109 3.935 -2.674 1.00 0.00 O ATOM 872 CB TYR A 59 13.068 2.874 -1.090 1.00 0.00 C ATOM 873 CG TYR A 59 13.715 2.609 0.250 1.00 0.00 C ATOM 874 CD1 TYR A 59 13.348 1.508 1.015 1.00 0.00 C ATOM 875 CD2 TYR A 59 14.689 3.463 0.754 1.00 0.00 C ATOM 876 CE1 TYR A 59 13.933 1.267 2.244 1.00 0.00 C ATOM 877 CE2 TYR A 59 15.279 3.227 1.979 1.00 0.00 C ATOM 878 CZ TYR A 59 14.899 2.130 2.721 1.00 0.00 C ATOM 879 OH TYR A 59 15.484 1.893 3.943 1.00 0.00 O ATOM 0 H TYR A 59 10.607 2.056 -0.594 1.00 0.00 H new ATOM 0 HA TYR A 59 12.040 4.645 -0.470 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.824 1.922 -1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.787 3.376 -1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.594 0.830 0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 59 14.989 4.326 0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.636 0.408 2.828 1.00 0.00 H new ATOM 0 HE2 TYR A 59 16.036 3.900 2.355 1.00 0.00 H new ATOM 0 HH TYR A 59 16.144 2.593 4.131 1.00 0.00 H new ATOM 889 N LYS A 60 12.195 4.526 -3.263 1.00 0.00 N ATOM 890 CA LYS A 60 11.806 4.976 -4.598 1.00 0.00 C ATOM 891 C LYS A 60 11.496 3.789 -5.511 1.00 0.00 C ATOM 892 O LYS A 60 10.920 3.952 -6.590 1.00 0.00 O ATOM 893 CB LYS A 60 12.912 5.847 -5.205 1.00 0.00 C ATOM 894 CG LYS A 60 13.313 7.018 -4.316 1.00 0.00 C ATOM 895 CD LYS A 60 14.328 7.926 -4.990 1.00 0.00 C ATOM 896 CE LYS A 60 13.718 8.667 -6.167 1.00 0.00 C ATOM 897 NZ LYS A 60 14.680 9.619 -6.781 1.00 0.00 N ATOM 0 H LYS A 60 13.195 4.587 -3.071 1.00 0.00 H new ATOM 0 HA LYS A 60 10.898 5.573 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.789 5.228 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.576 6.230 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.426 7.596 -4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.730 6.638 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.712 8.645 -4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.177 7.334 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.389 7.948 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.832 9.209 -5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.225 10.105 -7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.975 10.321 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.514 9.099 -7.121 1.00 0.00 H new ATOM 911 N LEU A 61 11.887 2.598 -5.074 1.00 0.00 N ATOM 912 CA LEU A 61 11.612 1.370 -5.806 1.00 0.00 C ATOM 913 C LEU A 61 11.762 0.178 -4.871 1.00 0.00 C ATOM 914 O LEU A 61 12.370 0.298 -3.805 1.00 0.00 O ATOM 915 CB LEU A 61 12.519 1.233 -7.063 1.00 0.00 C ATOM 916 CG LEU A 61 14.050 1.048 -6.872 1.00 0.00 C ATOM 917 CD1 LEU A 61 14.643 2.081 -5.924 1.00 0.00 C ATOM 918 CD2 LEU A 61 14.394 -0.367 -6.416 1.00 0.00 C ATOM 0 H LEU A 61 12.402 2.457 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 61 10.585 1.402 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.155 0.383 -7.640 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.369 2.122 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 61 14.504 1.207 -7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.715 1.910 -5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.471 3.081 -6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.168 1.993 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.473 -0.457 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.902 -0.572 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.052 -1.083 -7.163 1.00 0.00 H new ATOM 930 N GLY A 62 11.189 -0.959 -5.245 1.00 0.00 N ATOM 931 CA GLY A 62 11.327 -2.146 -4.423 1.00 0.00 C ATOM 932 C GLY A 62 10.043 -2.940 -4.258 1.00 0.00 C ATOM 933 O GLY A 62 10.005 -4.119 -4.615 1.00 0.00 O ATOM 0 H GLY A 62 10.637 -1.081 -6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.087 -2.792 -4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.689 -1.852 -3.438 1.00 0.00 H new ATOM 937 N PRO A 63 8.978 -2.333 -3.700 1.00 0.00 N ATOM 938 CA PRO A 63 7.721 -3.041 -3.426 1.00 0.00 C ATOM 939 C PRO A 63 7.000 -3.525 -4.684 1.00 0.00 C ATOM 940 O PRO A 63 6.964 -2.842 -5.708 1.00 0.00 O ATOM 941 CB PRO A 63 6.867 -2.002 -2.694 1.00 0.00 C ATOM 942 CG PRO A 63 7.448 -0.685 -3.073 1.00 0.00 C ATOM 943 CD PRO A 63 8.916 -0.923 -3.270 1.00 0.00 C ATOM 0 HA PRO A 63 7.908 -3.950 -2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.821 -2.071 -2.992 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.902 -2.152 -1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.989 -0.304 -3.985 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.274 0.057 -2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.334 -0.254 -4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.477 -0.758 -2.350 1.00 0.00 H new ATOM 951 N GLU A 64 6.418 -4.710 -4.576 1.00 0.00 N ATOM 952 CA GLU A 64 5.658 -5.319 -5.656 1.00 0.00 C ATOM 953 C GLU A 64 4.228 -5.570 -5.201 1.00 0.00 C ATOM 954 O GLU A 64 3.982 -5.786 -4.016 1.00 0.00 O ATOM 955 CB GLU A 64 6.290 -6.651 -6.059 1.00 0.00 C ATOM 956 CG GLU A 64 7.626 -6.524 -6.764 1.00 0.00 C ATOM 957 CD GLU A 64 7.486 -6.081 -8.205 1.00 0.00 C ATOM 958 OE1 GLU A 64 6.656 -6.670 -8.932 1.00 0.00 O ATOM 959 OE2 GLU A 64 8.236 -5.179 -8.630 1.00 0.00 O ATOM 0 H GLU A 64 6.460 -5.279 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 64 5.662 -4.641 -6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.421 -7.262 -5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.598 -7.185 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.249 -5.809 -6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.142 -7.484 -6.732 1.00 0.00 H new ATOM 966 N LEU A 65 3.286 -5.547 -6.134 1.00 0.00 N ATOM 967 CA LEU A 65 1.914 -5.912 -5.822 1.00 0.00 C ATOM 968 C LEU A 65 1.671 -7.363 -6.199 1.00 0.00 C ATOM 969 O LEU A 65 2.232 -7.860 -7.179 1.00 0.00 O ATOM 970 CB LEU A 65 0.898 -5.012 -6.540 1.00 0.00 C ATOM 971 CG LEU A 65 0.826 -3.565 -6.040 1.00 0.00 C ATOM 972 CD1 LEU A 65 1.881 -2.697 -6.713 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.572 -2.996 -6.256 1.00 0.00 C ATOM 0 H LEU A 65 3.446 -5.281 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 65 1.773 -5.776 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.139 -4.999 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.091 -5.461 -6.443 1.00 0.00 H new ATOM 0 HG LEU A 65 1.034 -3.564 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.805 -1.676 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.872 -3.092 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.721 -2.700 -7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.606 -1.968 -5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.813 -3.016 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.298 -3.597 -5.708 1.00 0.00 H new ATOM 985 N THR A 66 0.855 -8.041 -5.406 1.00 0.00 N ATOM 986 CA THR A 66 0.523 -9.432 -5.658 1.00 0.00 C ATOM 987 C THR A 66 -0.607 -9.534 -6.672 1.00 0.00 C ATOM 988 O THR A 66 -1.117 -8.516 -7.149 1.00 0.00 O ATOM 989 CB THR A 66 0.080 -10.139 -4.364 1.00 0.00 C ATOM 990 OG1 THR A 66 -1.067 -9.471 -3.816 1.00 0.00 O ATOM 991 CG2 THR A 66 1.201 -10.160 -3.336 1.00 0.00 C ATOM 0 H THR A 66 0.409 -7.646 -4.578 1.00 0.00 H new ATOM 0 HA THR A 66 1.420 -9.915 -6.047 1.00 0.00 H new ATOM 0 HB THR A 66 -0.176 -11.170 -4.610 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.051 -9.541 -2.839 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.858 -10.666 -2.434 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.060 -10.692 -3.745 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.490 -9.138 -3.092 1.00 0.00 H new ATOM 999 N GLU A 67 -1.000 -10.760 -6.996 1.00 0.00 N ATOM 1000 CA GLU A 67 -2.167 -10.982 -7.828 1.00 0.00 C ATOM 1001 C GLU A 67 -3.396 -10.431 -7.114 1.00 0.00 C ATOM 1002 O GLU A 67 -4.240 -9.767 -7.716 1.00 0.00 O ATOM 1003 CB GLU A 67 -2.347 -12.475 -8.110 1.00 0.00 C ATOM 1004 CG GLU A 67 -3.400 -12.774 -9.161 1.00 0.00 C ATOM 1005 CD GLU A 67 -2.992 -12.295 -10.539 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -3.148 -11.093 -10.830 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -2.507 -13.121 -11.340 1.00 0.00 O ATOM 0 H GLU A 67 -0.526 -11.611 -6.694 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.035 -10.470 -8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.394 -12.892 -8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.617 -12.981 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.584 -13.848 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.339 -12.298 -8.877 1.00 0.00 H new ATOM 1014 N LYS A 68 -3.466 -10.694 -5.813 1.00 0.00 N ATOM 1015 CA LYS A 68 -4.561 -10.212 -4.983 1.00 0.00 C ATOM 1016 C LYS A 68 -4.623 -8.687 -4.997 1.00 0.00 C ATOM 1017 O LYS A 68 -5.685 -8.104 -5.212 1.00 0.00 O ATOM 1018 CB LYS A 68 -4.401 -10.705 -3.541 1.00 0.00 C ATOM 1019 CG LYS A 68 -5.511 -10.236 -2.613 1.00 0.00 C ATOM 1020 CD LYS A 68 -5.281 -10.688 -1.178 1.00 0.00 C ATOM 1021 CE LYS A 68 -5.309 -12.203 -1.056 1.00 0.00 C ATOM 1022 NZ LYS A 68 -5.172 -12.651 0.355 1.00 0.00 N ATOM 0 H LYS A 68 -2.770 -11.243 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.490 -10.606 -5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.373 -11.795 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.443 -10.360 -3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.575 -9.148 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.467 -10.622 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.320 -10.312 -0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.046 -10.256 -0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.244 -12.583 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.502 -12.630 -1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.145 -13.690 0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.292 -12.269 0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.983 -12.308 0.908 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.478 -8.050 -4.771 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.428 -6.599 -4.699 1.00 0.00 C ATOM 1038 C GLY A 69 -3.735 -5.935 -6.028 1.00 0.00 C ATOM 1039 O GLY A 69 -4.556 -5.019 -6.095 1.00 0.00 O ATOM 0 H GLY A 69 -2.580 -8.514 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.141 -6.252 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.438 -6.290 -4.363 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.093 -6.415 -7.084 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.250 -5.837 -8.415 1.00 0.00 C ATOM 1045 C GLU A 70 -4.689 -5.991 -8.919 1.00 0.00 C ATOM 1046 O GLU A 70 -5.221 -5.110 -9.597 1.00 0.00 O ATOM 1047 CB GLU A 70 -2.271 -6.507 -9.381 1.00 0.00 C ATOM 1048 CG GLU A 70 -2.292 -5.935 -10.787 1.00 0.00 C ATOM 1049 CD GLU A 70 -1.813 -4.502 -10.862 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -0.616 -4.258 -10.617 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -2.627 -3.620 -11.216 1.00 0.00 O ATOM 0 H GLU A 70 -2.454 -7.209 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.031 -4.771 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.262 -6.416 -8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.499 -7.572 -9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.667 -6.553 -11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.308 -5.991 -11.179 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.321 -7.111 -8.583 1.00 0.00 N ATOM 1059 CA ASN A 71 -6.709 -7.340 -8.971 1.00 0.00 C ATOM 1060 C ASN A 71 -7.661 -6.554 -8.080 1.00 0.00 C ATOM 1061 O ASN A 71 -8.690 -6.060 -8.543 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.054 -8.830 -8.922 1.00 0.00 C ATOM 1063 CG ASN A 71 -6.475 -9.592 -10.096 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -6.326 -9.047 -11.190 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -6.147 -10.855 -9.886 1.00 0.00 N ATOM 0 H ASN A 71 -4.899 -7.869 -8.047 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.826 -6.991 -9.997 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.678 -9.258 -7.993 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.137 -8.950 -8.912 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.755 -11.413 -10.645 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.285 -11.272 -8.965 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.304 -6.427 -6.804 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.123 -5.694 -5.844 1.00 0.00 C ATOM 1074 C TYR A 72 -8.306 -4.250 -6.300 1.00 0.00 C ATOM 1075 O TYR A 72 -9.390 -3.680 -6.173 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.473 -5.734 -4.458 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.377 -5.266 -3.340 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.421 -6.063 -2.890 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -8.185 -4.032 -2.732 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -10.250 -5.644 -1.867 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -9.009 -3.605 -1.708 1.00 0.00 C ATOM 1082 CZ TYR A 72 -10.040 -4.415 -1.280 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.867 -3.994 -0.264 1.00 0.00 O ATOM 0 H TYR A 72 -6.450 -6.824 -6.411 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.103 -6.168 -5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.152 -6.754 -4.248 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.577 -5.114 -4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.588 -7.027 -3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.378 -3.396 -3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.058 -6.276 -1.529 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.847 -2.643 -1.246 1.00 0.00 H new ATOM 0 HH TYR A 72 -10.584 -3.107 0.042 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.238 -3.674 -6.849 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.285 -2.322 -7.390 1.00 0.00 C ATOM 1095 C LEU A 73 -8.351 -2.206 -8.473 1.00 0.00 C ATOM 1096 O LEU A 73 -9.167 -1.287 -8.462 1.00 0.00 O ATOM 1097 CB LEU A 73 -5.923 -1.923 -7.970 1.00 0.00 C ATOM 1098 CG LEU A 73 -4.778 -1.840 -6.961 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -3.478 -1.507 -7.672 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -5.084 -0.803 -5.891 1.00 0.00 C ATOM 0 H LEU A 73 -6.328 -4.127 -6.930 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.537 -1.647 -6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.652 -2.642 -8.743 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.025 -0.954 -8.458 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.670 -2.809 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.669 -1.450 -6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.254 -2.284 -8.403 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.577 -0.548 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.258 -0.758 -5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.216 0.173 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.998 -1.080 -5.366 1.00 0.00 H new ATOM 1112 N LYS A 74 -8.356 -3.168 -9.385 1.00 0.00 N ATOM 1113 CA LYS A 74 -9.249 -3.128 -10.536 1.00 0.00 C ATOM 1114 C LYS A 74 -10.699 -3.378 -10.135 1.00 0.00 C ATOM 1115 O LYS A 74 -11.612 -2.731 -10.650 1.00 0.00 O ATOM 1116 CB LYS A 74 -8.803 -4.143 -11.587 1.00 0.00 C ATOM 1117 CG LYS A 74 -7.399 -3.879 -12.108 1.00 0.00 C ATOM 1118 CD LYS A 74 -7.039 -4.811 -13.248 1.00 0.00 C ATOM 1119 CE LYS A 74 -5.637 -4.540 -13.767 1.00 0.00 C ATOM 1120 NZ LYS A 74 -4.596 -4.905 -12.772 1.00 0.00 N ATOM 0 H LYS A 74 -7.750 -3.988 -9.350 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.195 -2.127 -10.963 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.843 -5.144 -11.158 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.504 -4.126 -12.422 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.325 -2.845 -12.446 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.681 -4.002 -11.297 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.110 -5.845 -12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.758 -4.691 -14.059 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.475 -5.104 -14.685 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.542 -3.484 -14.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.103 -4.046 -12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.043 -5.369 -11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.912 -5.556 -13.208 1.00 0.00 H new