USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 314 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 28 LYS NZ :NH3+ 171:sc= -5.21! (180deg=-5.34!) USER MOD Set 1.2: A 46 TYR OH : rot 30:sc= -0.186 USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= -0.149 USER MOD Set 2.2: A 38 THR OG1 : rot -85:sc= -0.405 USER MOD Set 2.3: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 4 GLN : amide:sc= 0 X(o=-0.15,f=-0.15) USER MOD Set 3.2: A 53 GLN : amide:sc= -0.147 K(o=-0.15,f=-1) USER MOD Single : A 15 HIS : no HD1:sc= -0.0966 X(o=-0.097,f=-0.17) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -64:sc= 1.19 USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= 0.00219 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0384 USER MOD Single : A 44 LYS NZ :NH3+ -105:sc= -1.92! (180deg=-4.68!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLN A 4 1.178 6.019 2.393 1.00 0.00 N ATOM 56 CA GLN A 4 0.826 4.819 1.645 1.00 0.00 C ATOM 57 C GLN A 4 1.991 3.831 1.615 1.00 0.00 C ATOM 58 O GLN A 4 1.803 2.633 1.416 1.00 0.00 O ATOM 59 CB GLN A 4 0.411 5.173 0.214 1.00 0.00 C ATOM 60 CG GLN A 4 -1.089 5.119 -0.019 1.00 0.00 C ATOM 61 CD GLN A 4 -1.784 6.415 0.349 1.00 0.00 C ATOM 62 OE1 GLN A 4 -1.763 7.382 -0.412 1.00 0.00 O ATOM 63 NE2 GLN A 4 -2.404 6.442 1.524 1.00 0.00 N ATOM 0 HA GLN A 4 -0.017 4.350 2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 4 0.770 6.175 -0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 4 0.902 4.488 -0.477 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.282 4.893 -1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.515 4.304 0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.396 5.617 2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.888 7.288 1.826 1.00 0.00 H new ATOM 70 N GLU A 5 3.201 4.346 1.770 1.00 0.00 N ATOM 71 CA GLU A 5 4.397 3.515 1.727 1.00 0.00 C ATOM 72 C GLU A 5 4.391 2.440 2.805 1.00 0.00 C ATOM 73 O GLU A 5 4.829 1.314 2.574 1.00 0.00 O ATOM 74 CB GLU A 5 5.633 4.386 1.889 1.00 0.00 C ATOM 75 CG GLU A 5 6.742 4.047 0.908 1.00 0.00 C ATOM 76 CD GLU A 5 8.122 4.167 1.523 1.00 0.00 C ATOM 77 OE1 GLU A 5 8.311 3.681 2.658 1.00 0.00 O ATOM 78 OE2 GLU A 5 9.016 4.747 0.869 1.00 0.00 O ATOM 0 H GLU A 5 3.382 5.337 1.927 1.00 0.00 H new ATOM 0 HA GLU A 5 4.411 3.014 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.351 5.431 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.012 4.281 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.599 3.031 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.674 4.710 0.045 1.00 0.00 H new ATOM 85 N GLU A 6 3.939 2.803 3.998 1.00 0.00 N ATOM 86 CA GLU A 6 3.933 1.869 5.120 1.00 0.00 C ATOM 87 C GLU A 6 3.179 0.593 4.770 1.00 0.00 C ATOM 88 O GLU A 6 3.730 -0.508 4.829 1.00 0.00 O ATOM 89 CB GLU A 6 3.305 2.524 6.351 1.00 0.00 C ATOM 90 CG GLU A 6 4.041 3.769 6.820 1.00 0.00 C ATOM 91 CD GLU A 6 4.993 3.487 7.965 1.00 0.00 C ATOM 92 OE1 GLU A 6 5.678 2.444 7.924 1.00 0.00 O ATOM 93 OE2 GLU A 6 5.055 4.310 8.902 1.00 0.00 O ATOM 0 H GLU A 6 3.574 3.730 4.215 1.00 0.00 H new ATOM 0 HA GLU A 6 4.967 1.605 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.271 2.787 6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.279 1.799 7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.599 4.193 5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.315 4.520 7.133 1.00 0.00 H new ATOM 100 N LEU A 7 1.935 0.746 4.347 1.00 0.00 N ATOM 101 CA LEU A 7 1.133 -0.402 3.958 1.00 0.00 C ATOM 102 C LEU A 7 1.594 -0.929 2.607 1.00 0.00 C ATOM 103 O LEU A 7 1.492 -2.124 2.332 1.00 0.00 O ATOM 104 CB LEU A 7 -0.358 -0.083 3.973 1.00 0.00 C ATOM 105 CG LEU A 7 -0.876 0.770 2.831 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.361 0.506 2.625 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.638 2.243 3.120 1.00 0.00 C ATOM 0 H LEU A 7 1.462 1.646 4.265 1.00 0.00 H new ATOM 0 HA LEU A 7 1.282 -1.191 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.909 -1.024 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.590 0.423 4.910 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.338 0.507 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.729 1.121 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.514 -0.547 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.905 0.755 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.015 2.842 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.158 2.523 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.430 2.422 3.240 1.00 0.00 H new ATOM 113 N ALA A 8 2.126 -0.042 1.768 1.00 0.00 N ATOM 114 CA ALA A 8 2.711 -0.471 0.504 1.00 0.00 C ATOM 115 C ALA A 8 3.796 -1.505 0.788 1.00 0.00 C ATOM 116 O ALA A 8 4.047 -2.411 -0.005 1.00 0.00 O ATOM 117 CB ALA A 8 3.267 0.708 -0.266 1.00 0.00 C ATOM 0 H ALA A 8 2.163 0.963 1.939 1.00 0.00 H new ATOM 0 HA ALA A 8 1.938 -0.922 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.697 0.359 -1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.466 1.416 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.039 1.198 0.327 1.00 0.00 H new ATOM 123 N ALA A 9 4.431 -1.375 1.947 1.00 0.00 N ATOM 124 CA ALA A 9 5.373 -2.379 2.394 1.00 0.00 C ATOM 125 C ALA A 9 4.580 -3.623 2.741 1.00 0.00 C ATOM 126 O ALA A 9 4.945 -4.742 2.373 1.00 0.00 O ATOM 127 CB ALA A 9 6.186 -1.877 3.577 1.00 0.00 C ATOM 0 H ALA A 9 4.308 -0.589 2.586 1.00 0.00 H new ATOM 0 HA ALA A 9 6.093 -2.607 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.886 -2.651 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.740 -0.984 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.516 -1.635 4.402 1.00 0.00 H new ATOM 133 N ALA A 10 3.417 -3.394 3.339 1.00 0.00 N ATOM 134 CA ALA A 10 2.481 -4.466 3.609 1.00 0.00 C ATOM 135 C ALA A 10 2.108 -5.149 2.299 1.00 0.00 C ATOM 136 O ALA A 10 2.023 -6.375 2.235 1.00 0.00 O ATOM 137 CB ALA A 10 1.250 -3.930 4.313 1.00 0.00 C ATOM 0 H ALA A 10 3.104 -2.473 3.645 1.00 0.00 H new ATOM 0 HA ALA A 10 2.947 -5.198 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.557 -4.749 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.542 -3.469 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.764 -3.187 3.681 1.00 0.00 H new ATOM 143 N ARG A 11 1.953 -4.352 1.228 1.00 0.00 N ATOM 144 CA ARG A 11 1.696 -4.912 -0.095 1.00 0.00 C ATOM 145 C ARG A 11 2.778 -5.947 -0.394 1.00 0.00 C ATOM 146 O ARG A 11 2.502 -7.037 -0.895 1.00 0.00 O ATOM 147 CB ARG A 11 1.670 -3.790 -1.160 1.00 0.00 C ATOM 148 CG ARG A 11 2.310 -4.134 -2.498 1.00 0.00 C ATOM 149 CD ARG A 11 1.788 -5.441 -3.066 1.00 0.00 C ATOM 150 NE ARG A 11 2.877 -6.298 -3.528 1.00 0.00 N ATOM 151 CZ ARG A 11 3.466 -6.168 -4.715 1.00 0.00 C ATOM 152 NH1 ARG A 11 3.060 -5.231 -5.562 1.00 0.00 N ATOM 153 NH2 ARG A 11 4.456 -6.980 -5.059 1.00 0.00 N ATOM 0 H ARG A 11 2.001 -3.334 1.258 1.00 0.00 H new ATOM 0 HA ARG A 11 0.720 -5.397 -0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.633 -3.506 -1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.175 -2.915 -0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.118 -3.329 -3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.391 -4.200 -2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.210 -5.965 -2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.110 -5.234 -3.894 1.00 0.00 H new ATOM 0 HE ARG A 11 3.205 -7.037 -2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.295 -4.608 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.513 -5.134 -6.471 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.768 -7.706 -4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.906 -6.879 -5.969 1.00 0.00 H new ATOM 167 N ALA A 12 4.006 -5.603 -0.023 1.00 0.00 N ATOM 168 CA ALA A 12 5.135 -6.499 -0.200 1.00 0.00 C ATOM 169 C ALA A 12 4.817 -7.852 0.421 1.00 0.00 C ATOM 170 O ALA A 12 4.967 -8.897 -0.216 1.00 0.00 O ATOM 171 CB ALA A 12 6.379 -5.895 0.428 1.00 0.00 C ATOM 0 H ALA A 12 4.242 -4.707 0.403 1.00 0.00 H new ATOM 0 HA ALA A 12 5.324 -6.641 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.221 -6.573 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.600 -4.940 -0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.209 -5.738 1.493 1.00 0.00 H new ATOM 177 N ALA A 13 4.307 -7.818 1.648 1.00 0.00 N ATOM 178 CA ALA A 13 3.882 -9.034 2.319 1.00 0.00 C ATOM 179 C ALA A 13 2.738 -9.663 1.554 1.00 0.00 C ATOM 180 O ALA A 13 2.770 -10.844 1.237 1.00 0.00 O ATOM 181 CB ALA A 13 3.444 -8.750 3.746 1.00 0.00 C ATOM 0 H ALA A 13 4.180 -6.965 2.193 1.00 0.00 H new ATOM 0 HA ALA A 13 4.729 -9.719 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.132 -9.679 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.276 -8.319 4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.610 -8.048 3.738 1.00 0.00 H new ATOM 187 N LEU A 14 1.742 -8.844 1.230 1.00 0.00 N ATOM 188 CA LEU A 14 0.569 -9.313 0.512 1.00 0.00 C ATOM 189 C LEU A 14 0.955 -10.100 -0.729 1.00 0.00 C ATOM 190 O LEU A 14 0.499 -11.226 -0.930 1.00 0.00 O ATOM 191 CB LEU A 14 -0.316 -8.143 0.124 1.00 0.00 C ATOM 192 CG LEU A 14 -1.469 -7.853 1.077 1.00 0.00 C ATOM 193 CD1 LEU A 14 -2.189 -9.138 1.477 1.00 0.00 C ATOM 194 CD2 LEU A 14 -0.984 -7.094 2.304 1.00 0.00 C ATOM 0 H LEU A 14 1.727 -7.849 1.456 1.00 0.00 H new ATOM 0 HA LEU A 14 0.018 -9.977 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.304 -7.250 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.726 -8.332 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.185 -7.220 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.007 -8.900 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.587 -9.624 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.488 -9.809 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.826 -6.900 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.238 -7.690 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.540 -6.148 1.995 1.00 0.00 H new ATOM 200 N HIS A 15 1.841 -9.536 -1.541 1.00 0.00 N ATOM 201 CA HIS A 15 2.318 -10.247 -2.718 1.00 0.00 C ATOM 202 C HIS A 15 2.867 -11.589 -2.265 1.00 0.00 C ATOM 203 O HIS A 15 2.689 -12.613 -2.926 1.00 0.00 O ATOM 204 CB HIS A 15 3.394 -9.431 -3.439 1.00 0.00 C ATOM 205 CG HIS A 15 4.170 -10.211 -4.458 1.00 0.00 C ATOM 206 ND1 HIS A 15 5.394 -10.790 -4.191 1.00 0.00 N ATOM 207 CD2 HIS A 15 3.889 -10.510 -5.748 1.00 0.00 C ATOM 208 CE1 HIS A 15 5.833 -11.408 -5.272 1.00 0.00 C ATOM 209 NE2 HIS A 15 4.938 -11.253 -6.231 1.00 0.00 N ATOM 0 H HIS A 15 2.237 -8.605 -1.409 1.00 0.00 H new ATOM 0 HA HIS A 15 1.501 -10.400 -3.423 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.922 -8.580 -3.930 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.087 -9.029 -2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.005 -10.219 -6.295 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.764 -11.948 -5.358 1.00 0.00 H new ATOM 0 HE2 HIS A 15 5.014 -11.625 -7.178 1.00 0.00 H new ATOM 218 N ASP A 16 3.468 -11.572 -1.083 1.00 0.00 N ATOM 219 CA ASP A 16 3.956 -12.781 -0.458 1.00 0.00 C ATOM 220 C ASP A 16 2.791 -13.625 0.078 1.00 0.00 C ATOM 221 O ASP A 16 2.834 -14.846 0.014 1.00 0.00 O ATOM 222 CB ASP A 16 4.950 -12.439 0.658 1.00 0.00 C ATOM 223 CG ASP A 16 6.163 -13.350 0.650 1.00 0.00 C ATOM 224 OD1 ASP A 16 6.799 -13.481 -0.417 1.00 0.00 O ATOM 225 OD2 ASP A 16 6.477 -13.929 1.711 1.00 0.00 O ATOM 0 H ASP A 16 3.627 -10.724 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 16 4.478 -13.374 -1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.275 -11.405 0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.449 -12.514 1.623 1.00 0.00 H new ATOM 230 N LEU A 17 1.728 -12.978 0.576 1.00 0.00 N ATOM 231 CA LEU A 17 0.583 -13.710 1.128 1.00 0.00 C ATOM 232 C LEU A 17 0.142 -14.780 0.142 1.00 0.00 C ATOM 233 O LEU A 17 -0.245 -15.883 0.522 1.00 0.00 O ATOM 234 CB LEU A 17 -0.579 -12.756 1.414 1.00 0.00 C ATOM 235 CG LEU A 17 -0.843 -12.478 2.892 1.00 0.00 C ATOM 236 CD1 LEU A 17 -0.059 -11.270 3.371 1.00 0.00 C ATOM 237 CD2 LEU A 17 -2.324 -12.262 3.137 1.00 0.00 C ATOM 0 H LEU A 17 1.638 -11.962 0.608 1.00 0.00 H new ATOM 0 HA LEU A 17 0.884 -14.178 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.382 -11.809 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.485 -13.169 0.971 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.512 -13.349 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.267 -11.096 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.007 -11.452 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.353 -10.393 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.493 -12.065 4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.670 -11.411 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.876 -13.154 2.841 1.00 0.00 H new ATOM 243 N MET A 18 0.276 -14.448 -1.132 1.00 0.00 N ATOM 244 CA MET A 18 -0.051 -15.369 -2.211 1.00 0.00 C ATOM 245 C MET A 18 0.994 -16.481 -2.318 1.00 0.00 C ATOM 246 O MET A 18 0.665 -17.627 -2.623 1.00 0.00 O ATOM 247 CB MET A 18 -0.142 -14.614 -3.538 1.00 0.00 C ATOM 248 CG MET A 18 -1.534 -14.620 -4.147 1.00 0.00 C ATOM 249 SD MET A 18 -1.911 -16.158 -5.009 1.00 0.00 S ATOM 250 CE MET A 18 -3.303 -15.650 -6.014 1.00 0.00 C ATOM 0 H MET A 18 0.612 -13.538 -1.447 1.00 0.00 H new ATOM 0 HA MET A 18 -1.016 -15.823 -1.988 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.173 -13.582 -3.382 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.558 -15.057 -4.247 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.271 -14.460 -3.360 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.625 -13.786 -4.843 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.651 -16.495 -6.608 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.110 -15.303 -5.369 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.997 -14.842 -6.678 1.00 0.00 H new ATOM 260 N THR A 19 2.257 -16.130 -2.079 1.00 0.00 N ATOM 261 CA THR A 19 3.353 -17.093 -2.169 1.00 0.00 C ATOM 262 C THR A 19 4.435 -16.801 -1.130 1.00 0.00 C ATOM 263 O THR A 19 5.565 -16.453 -1.472 1.00 0.00 O ATOM 264 CB THR A 19 3.961 -17.060 -3.571 1.00 0.00 C ATOM 265 OG1 THR A 19 5.257 -17.634 -3.571 1.00 0.00 O ATOM 266 CG2 THR A 19 4.073 -15.661 -4.136 1.00 0.00 C ATOM 0 H THR A 19 2.546 -15.186 -1.822 1.00 0.00 H new ATOM 0 HA THR A 19 2.948 -18.085 -1.969 1.00 0.00 H new ATOM 0 HB THR A 19 3.280 -17.635 -4.198 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.855 -17.093 -3.014 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.512 -15.705 -5.133 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.081 -15.212 -4.196 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.707 -15.056 -3.487 1.00 0.00 H new ATOM 271 N GLY A 20 4.084 -16.973 0.139 1.00 0.00 N ATOM 272 CA GLY A 20 5.014 -16.697 1.224 1.00 0.00 C ATOM 273 C GLY A 20 4.282 -16.334 2.499 1.00 0.00 C ATOM 274 O GLY A 20 4.077 -17.183 3.367 1.00 0.00 O ATOM 0 H GLY A 20 3.166 -17.301 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.641 -17.571 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.677 -15.881 0.938 1.00 0.00 H new ATOM 278 N LYS A 21 3.854 -15.076 2.589 1.00 0.00 N ATOM 279 CA LYS A 21 3.075 -14.602 3.724 1.00 0.00 C ATOM 280 C LYS A 21 1.870 -15.508 3.953 1.00 0.00 C ATOM 281 O LYS A 21 1.769 -16.599 3.394 1.00 0.00 O ATOM 282 CB LYS A 21 2.585 -13.165 3.487 1.00 0.00 C ATOM 283 CG LYS A 21 3.133 -12.157 4.477 1.00 0.00 C ATOM 284 CD LYS A 21 2.056 -11.630 5.400 1.00 0.00 C ATOM 285 CE LYS A 21 2.605 -11.334 6.787 1.00 0.00 C ATOM 286 NZ LYS A 21 2.525 -12.521 7.682 1.00 0.00 N ATOM 0 H LYS A 21 4.037 -14.364 1.882 1.00 0.00 H new ATOM 0 HA LYS A 21 3.719 -14.619 4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.864 -12.858 2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.496 -13.151 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.923 -12.621 5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.586 -11.326 3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.625 -10.722 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.250 -12.360 5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.643 -11.011 6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.048 -10.508 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.202 -12.412 8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.562 -12.602 8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.755 -13.379 7.142 1.00 0.00 H new ATOM 300 N ARG A 22 0.929 -15.006 4.724 1.00 0.00 N ATOM 301 CA ARG A 22 -0.292 -15.723 5.024 1.00 0.00 C ATOM 302 C ARG A 22 -1.396 -14.749 5.378 1.00 0.00 C ATOM 303 O ARG A 22 -2.541 -14.908 4.954 1.00 0.00 O ATOM 304 CB ARG A 22 -0.059 -16.679 6.191 1.00 0.00 C ATOM 305 CG ARG A 22 -1.325 -17.350 6.701 1.00 0.00 C ATOM 306 CD ARG A 22 -1.364 -18.824 6.333 1.00 0.00 C ATOM 307 NE ARG A 22 -1.359 -19.683 7.514 1.00 0.00 N ATOM 308 CZ ARG A 22 -1.567 -20.994 7.474 1.00 0.00 C ATOM 309 NH1 ARG A 22 -1.800 -21.596 6.315 1.00 0.00 N ATOM 310 NH2 ARG A 22 -1.543 -21.706 8.593 1.00 0.00 N ATOM 0 H ARG A 22 0.989 -14.087 5.162 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.589 -16.293 4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.649 -17.448 5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.405 -16.130 7.011 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.383 -17.243 7.784 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.197 -16.847 6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.257 -19.026 5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.505 -19.064 5.706 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.186 -19.251 8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.820 -21.052 5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.959 -22.603 6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.365 -21.247 9.486 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.703 -22.713 8.560 1.00 0.00 H new ATOM 324 N VAL A 23 -1.049 -13.743 6.169 1.00 0.00 N ATOM 325 CA VAL A 23 -2.018 -12.754 6.589 1.00 0.00 C ATOM 326 C VAL A 23 -1.355 -11.419 6.881 1.00 0.00 C ATOM 327 O VAL A 23 -0.409 -11.335 7.665 1.00 0.00 O ATOM 328 CB VAL A 23 -2.795 -13.223 7.831 1.00 0.00 C ATOM 329 CG1 VAL A 23 -3.797 -12.171 8.278 1.00 0.00 C ATOM 330 CG2 VAL A 23 -3.485 -14.542 7.545 1.00 0.00 C ATOM 0 H VAL A 23 -0.106 -13.595 6.529 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.718 -12.627 5.763 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.087 -13.370 8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.332 -12.529 9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.271 -11.249 8.524 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.508 -11.980 7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.032 -14.866 8.430 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.180 -14.417 6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.740 -15.293 7.284 1.00 0.00 H new ATOM 334 N ALA A 24 -1.865 -10.379 6.242 1.00 0.00 N ATOM 335 CA ALA A 24 -1.335 -9.041 6.417 1.00 0.00 C ATOM 336 C ALA A 24 -2.395 -8.111 6.981 1.00 0.00 C ATOM 337 O ALA A 24 -3.544 -8.132 6.543 1.00 0.00 O ATOM 338 CB ALA A 24 -0.835 -8.510 5.089 1.00 0.00 C ATOM 0 H ALA A 24 -2.650 -10.439 5.594 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.507 -9.086 7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.438 -7.504 5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.049 -9.162 4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.658 -8.481 4.375 1.00 0.00 H new ATOM 344 N THR A 25 -2.005 -7.293 7.947 1.00 0.00 N ATOM 345 CA THR A 25 -2.924 -6.331 8.531 1.00 0.00 C ATOM 346 C THR A 25 -2.187 -5.070 8.939 1.00 0.00 C ATOM 347 O THR A 25 -1.253 -5.117 9.739 1.00 0.00 O ATOM 348 CB THR A 25 -3.680 -6.920 9.720 1.00 0.00 C ATOM 349 OG1 THR A 25 -4.025 -5.913 10.657 1.00 0.00 O ATOM 350 CG2 THR A 25 -2.920 -7.986 10.451 1.00 0.00 C ATOM 0 H THR A 25 -1.064 -7.277 8.340 1.00 0.00 H new ATOM 0 HA THR A 25 -3.660 -6.076 7.769 1.00 0.00 H new ATOM 0 HB THR A 25 -4.572 -7.372 9.286 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.509 -6.316 11.407 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.521 -8.356 11.282 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.698 -8.807 9.769 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.988 -7.571 10.834 1.00 0.00 H new ATOM 355 N VAL A 26 -2.598 -3.944 8.372 1.00 0.00 N ATOM 356 CA VAL A 26 -1.942 -2.682 8.672 1.00 0.00 C ATOM 357 C VAL A 26 -2.947 -1.599 9.040 1.00 0.00 C ATOM 358 O VAL A 26 -4.144 -1.722 8.772 1.00 0.00 O ATOM 359 CB VAL A 26 -1.074 -2.184 7.495 1.00 0.00 C ATOM 360 CG1 VAL A 26 0.372 -2.612 7.683 1.00 0.00 C ATOM 361 CG2 VAL A 26 -1.614 -2.682 6.160 1.00 0.00 C ATOM 0 H VAL A 26 -3.372 -3.879 7.711 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.295 -2.877 9.527 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.115 -1.095 7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.970 -2.253 6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.758 -2.191 8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.427 -3.700 7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.982 -2.315 5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.616 -3.772 6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.631 -2.316 6.020 1.00 0.00 H new ATOM 365 N GLN A 27 -2.440 -0.535 9.651 1.00 0.00 N ATOM 366 CA GLN A 27 -3.270 0.589 10.062 1.00 0.00 C ATOM 367 C GLN A 27 -2.864 1.856 9.317 1.00 0.00 C ATOM 368 O GLN A 27 -1.727 2.312 9.424 1.00 0.00 O ATOM 369 CB GLN A 27 -3.145 0.812 11.570 1.00 0.00 C ATOM 370 CG GLN A 27 -4.267 0.180 12.377 1.00 0.00 C ATOM 371 CD GLN A 27 -4.303 0.669 13.810 1.00 0.00 C ATOM 372 OE1 GLN A 27 -5.217 1.390 14.212 1.00 0.00 O ATOM 373 NE2 GLN A 27 -3.303 0.279 14.593 1.00 0.00 N ATOM 0 H GLN A 27 -1.450 -0.428 9.874 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.307 0.357 9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.192 0.407 11.910 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.125 1.883 11.769 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.221 0.399 11.898 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.148 -0.904 12.370 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.566 -0.319 14.219 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.272 0.577 15.568 1.00 0.00 H new ATOM 380 N LYS A 28 -3.796 2.411 8.554 1.00 0.00 N ATOM 381 CA LYS A 28 -3.527 3.613 7.776 1.00 0.00 C ATOM 382 C LYS A 28 -4.316 4.802 8.315 1.00 0.00 C ATOM 383 O LYS A 28 -5.106 4.665 9.250 1.00 0.00 O ATOM 384 CB LYS A 28 -3.886 3.373 6.310 1.00 0.00 C ATOM 385 CG LYS A 28 -2.905 2.468 5.581 1.00 0.00 C ATOM 386 CD LYS A 28 -3.031 1.023 6.039 1.00 0.00 C ATOM 387 CE LYS A 28 -4.465 0.533 5.955 1.00 0.00 C ATOM 388 NZ LYS A 28 -5.141 0.990 4.702 1.00 0.00 N ATOM 0 H LYS A 28 -4.744 2.048 8.457 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.465 3.843 7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.882 2.933 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.933 4.332 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.083 2.527 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.888 2.818 5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.393 0.389 5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.675 0.934 7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.479 -0.556 5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.022 0.893 6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.060 0.512 4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.288 2.019 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.546 0.757 3.882 1.00 0.00 H new ATOM 402 N ASP A 29 -4.099 5.967 7.716 1.00 0.00 N ATOM 403 CA ASP A 29 -4.791 7.181 8.131 1.00 0.00 C ATOM 404 C ASP A 29 -6.017 7.436 7.259 1.00 0.00 C ATOM 405 O ASP A 29 -6.307 8.576 6.896 1.00 0.00 O ATOM 406 CB ASP A 29 -3.844 8.381 8.060 1.00 0.00 C ATOM 407 CG ASP A 29 -4.486 9.655 8.573 1.00 0.00 C ATOM 408 OD1 ASP A 29 -5.590 9.571 9.151 1.00 0.00 O ATOM 409 OD2 ASP A 29 -3.885 10.736 8.397 1.00 0.00 O ATOM 0 H ASP A 29 -3.449 6.097 6.941 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.122 7.046 9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.948 8.168 8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.525 8.528 7.028 1.00 0.00 H new ATOM 414 N GLY A 30 -6.732 6.366 6.925 1.00 0.00 N ATOM 415 CA GLY A 30 -7.918 6.494 6.099 1.00 0.00 C ATOM 416 C GLY A 30 -8.704 5.200 6.011 1.00 0.00 C ATOM 417 O GLY A 30 -9.898 5.169 6.308 1.00 0.00 O ATOM 0 H GLY A 30 -6.511 5.413 7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.558 7.277 6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.627 6.808 5.097 1.00 0.00 H new ATOM 421 N ARG A 31 -8.032 4.129 5.599 1.00 0.00 N ATOM 422 CA ARG A 31 -8.669 2.824 5.481 1.00 0.00 C ATOM 423 C ARG A 31 -7.883 1.766 6.238 1.00 0.00 C ATOM 424 O ARG A 31 -6.795 2.032 6.738 1.00 0.00 O ATOM 425 CB ARG A 31 -8.813 2.409 4.015 1.00 0.00 C ATOM 426 CG ARG A 31 -9.899 1.366 3.794 1.00 0.00 C ATOM 427 CD ARG A 31 -9.311 -0.020 3.588 1.00 0.00 C ATOM 428 NE ARG A 31 -9.748 -0.617 2.328 1.00 0.00 N ATOM 429 CZ ARG A 31 -9.780 -1.926 2.098 1.00 0.00 C ATOM 430 NH1 ARG A 31 -9.393 -2.779 3.039 1.00 0.00 N ATOM 431 NH2 ARG A 31 -10.191 -2.384 0.924 1.00 0.00 N ATOM 0 H ARG A 31 -7.045 4.141 5.341 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.664 2.907 5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.037 3.291 3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.861 2.014 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.571 1.353 4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.497 1.641 2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.223 0.042 3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.604 -0.665 4.416 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.047 0.008 1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.070 -2.431 3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.419 -3.783 2.859 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.483 -1.732 0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.215 -3.389 0.749 1.00 0.00 H new ATOM 445 N ARG A 32 -8.465 0.580 6.352 1.00 0.00 N ATOM 446 CA ARG A 32 -7.852 -0.525 7.076 1.00 0.00 C ATOM 447 C ARG A 32 -7.590 -1.720 6.159 1.00 0.00 C ATOM 448 O ARG A 32 -8.496 -2.182 5.465 1.00 0.00 O ATOM 449 CB ARG A 32 -8.792 -0.951 8.194 1.00 0.00 C ATOM 450 CG ARG A 32 -10.106 -1.512 7.679 1.00 0.00 C ATOM 451 CD ARG A 32 -11.142 -1.615 8.787 1.00 0.00 C ATOM 452 NE ARG A 32 -11.654 -0.306 9.181 1.00 0.00 N ATOM 453 CZ ARG A 32 -12.351 -0.092 10.291 1.00 0.00 C ATOM 454 NH1 ARG A 32 -12.620 -1.099 11.111 1.00 0.00 N ATOM 455 NH2 ARG A 32 -12.781 1.128 10.583 1.00 0.00 N ATOM 0 H ARG A 32 -9.374 0.357 5.946 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.895 -0.191 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.299 -1.702 8.810 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.995 -0.095 8.837 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.487 -0.874 6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.937 -2.498 7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.969 -2.242 8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.699 -2.107 9.653 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.466 0.489 8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.291 -2.039 10.889 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.155 -0.934 11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.577 1.905 9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.316 1.290 11.436 1.00 0.00 H new ATOM 469 N VAL A 33 -6.363 -2.243 6.178 1.00 0.00 N ATOM 470 CA VAL A 33 -6.041 -3.413 5.363 1.00 0.00 C ATOM 471 C VAL A 33 -5.662 -4.608 6.208 1.00 0.00 C ATOM 472 O VAL A 33 -4.517 -4.722 6.611 1.00 0.00 O ATOM 473 CB VAL A 33 -4.867 -3.169 4.391 1.00 0.00 C ATOM 474 CG1 VAL A 33 -4.929 -4.146 3.225 1.00 0.00 C ATOM 475 CG2 VAL A 33 -4.837 -1.739 3.897 1.00 0.00 C ATOM 0 H VAL A 33 -5.590 -1.883 6.738 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.954 -3.607 4.801 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.941 -3.341 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.094 -3.960 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.870 -5.167 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.868 -4.012 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.997 -1.607 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.767 -1.515 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.726 -1.063 4.745 1.00 0.00 H new ATOM 479 N GLU A 34 -6.593 -5.544 6.377 1.00 0.00 N ATOM 480 CA GLU A 34 -6.294 -6.815 7.028 1.00 0.00 C ATOM 481 C GLU A 34 -6.779 -7.937 6.127 1.00 0.00 C ATOM 482 O GLU A 34 -7.966 -8.029 5.821 1.00 0.00 O ATOM 483 CB GLU A 34 -6.943 -6.910 8.411 1.00 0.00 C ATOM 484 CG GLU A 34 -6.994 -5.585 9.150 1.00 0.00 C ATOM 485 CD GLU A 34 -8.320 -4.871 8.984 1.00 0.00 C ATOM 486 OE1 GLU A 34 -8.464 -4.106 8.007 1.00 0.00 O ATOM 487 OE2 GLU A 34 -9.215 -5.078 9.830 1.00 0.00 O ATOM 0 H GLU A 34 -7.561 -5.445 6.072 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.218 -6.895 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.957 -7.295 8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.391 -7.632 9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.810 -5.758 10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.192 -4.941 8.788 1.00 0.00 H new ATOM 494 N PHE A 35 -5.847 -8.748 5.649 1.00 0.00 N ATOM 495 CA PHE A 35 -6.177 -9.781 4.681 1.00 0.00 C ATOM 496 C PHE A 35 -5.381 -11.056 4.899 1.00 0.00 C ATOM 497 O PHE A 35 -4.340 -11.050 5.556 1.00 0.00 O ATOM 498 CB PHE A 35 -5.915 -9.247 3.280 1.00 0.00 C ATOM 499 CG PHE A 35 -7.086 -8.484 2.728 1.00 0.00 C ATOM 500 CD1 PHE A 35 -7.425 -7.237 3.238 1.00 0.00 C ATOM 501 CD2 PHE A 35 -7.883 -9.040 1.746 1.00 0.00 C ATOM 502 CE1 PHE A 35 -8.521 -6.550 2.749 1.00 0.00 C ATOM 503 CE2 PHE A 35 -8.976 -8.355 1.249 1.00 0.00 C ATOM 504 CZ PHE A 35 -9.293 -7.107 1.749 1.00 0.00 C ATOM 0 H PHE A 35 -4.863 -8.711 5.914 1.00 0.00 H new ATOM 0 HA PHE A 35 -7.230 -10.034 4.808 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.039 -8.598 3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.681 -10.079 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.827 -6.800 4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.649 -10.022 1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.773 -5.579 3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.581 -8.795 0.471 1.00 0.00 H new ATOM 0 HZ PHE A 35 -10.143 -6.568 1.358 1.00 0.00 H new ATOM 514 N THR A 36 -5.865 -12.138 4.307 1.00 0.00 N ATOM 515 CA THR A 36 -5.175 -13.414 4.373 1.00 0.00 C ATOM 516 C THR A 36 -4.893 -13.934 2.971 1.00 0.00 C ATOM 517 O THR A 36 -4.938 -13.176 2.003 1.00 0.00 O ATOM 518 CB THR A 36 -5.984 -14.433 5.168 1.00 0.00 C ATOM 519 OG1 THR A 36 -6.979 -15.035 4.359 1.00 0.00 O ATOM 520 CG2 THR A 36 -6.666 -13.833 6.375 1.00 0.00 C ATOM 0 H THR A 36 -6.735 -12.156 3.775 1.00 0.00 H new ATOM 0 HA THR A 36 -4.226 -13.262 4.888 1.00 0.00 H new ATOM 0 HB THR A 36 -5.262 -15.175 5.508 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.483 -15.686 4.891 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.226 -14.608 6.899 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.916 -13.411 7.044 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.349 -13.047 6.054 1.00 0.00 H new ATOM 525 N ALA A 37 -4.595 -15.218 2.863 1.00 0.00 N ATOM 526 CA ALA A 37 -4.274 -15.812 1.574 1.00 0.00 C ATOM 527 C ALA A 37 -5.525 -16.321 0.859 1.00 0.00 C ATOM 528 O ALA A 37 -5.524 -17.412 0.289 1.00 0.00 O ATOM 529 CB ALA A 37 -3.270 -16.938 1.756 1.00 0.00 C ATOM 0 H ALA A 37 -4.568 -15.868 3.649 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.833 -15.036 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.036 -17.377 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.359 -16.544 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.695 -17.702 2.407 1.00 0.00 H new ATOM 535 N THR A 38 -6.586 -15.519 0.886 1.00 0.00 N ATOM 536 CA THR A 38 -7.836 -15.875 0.224 1.00 0.00 C ATOM 537 C THR A 38 -8.330 -14.711 -0.628 1.00 0.00 C ATOM 538 O THR A 38 -8.560 -14.856 -1.829 1.00 0.00 O ATOM 539 CB THR A 38 -8.897 -16.255 1.257 1.00 0.00 C ATOM 540 OG1 THR A 38 -9.333 -15.111 1.971 1.00 0.00 O ATOM 541 CG2 THR A 38 -8.411 -17.271 2.270 1.00 0.00 C ATOM 0 H THR A 38 -6.604 -14.616 1.361 1.00 0.00 H new ATOM 0 HA THR A 38 -7.654 -16.734 -0.422 1.00 0.00 H new ATOM 0 HB THR A 38 -9.712 -16.699 0.685 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.722 -14.939 2.718 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.213 -17.496 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.113 -18.184 1.755 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.557 -16.865 2.812 1.00 0.00 H new ATOM 546 N SER A 39 -8.471 -13.552 0.005 1.00 0.00 N ATOM 547 CA SER A 39 -8.901 -12.342 -0.684 1.00 0.00 C ATOM 548 C SER A 39 -7.702 -11.487 -1.093 1.00 0.00 C ATOM 549 O SER A 39 -7.848 -10.531 -1.855 1.00 0.00 O ATOM 550 CB SER A 39 -9.825 -11.525 0.219 1.00 0.00 C ATOM 551 OG SER A 39 -10.350 -12.320 1.267 1.00 0.00 O ATOM 0 H SER A 39 -8.292 -13.425 1.001 1.00 0.00 H new ATOM 0 HA SER A 39 -9.438 -12.640 -1.584 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.276 -10.682 0.638 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.642 -11.111 -0.372 1.00 0.00 H new ATOM 0 HG SER A 39 -10.936 -11.773 1.831 1.00 0.00 H new ATOM 557 N VAL A 40 -6.519 -11.830 -0.584 1.00 0.00 N ATOM 558 CA VAL A 40 -5.309 -11.072 -0.877 1.00 0.00 C ATOM 559 C VAL A 40 -5.189 -10.758 -2.370 1.00 0.00 C ATOM 560 O VAL A 40 -4.539 -9.789 -2.743 1.00 0.00 O ATOM 561 CB VAL A 40 -4.039 -11.806 -0.371 1.00 0.00 C ATOM 562 CG1 VAL A 40 -4.116 -13.287 -0.693 1.00 0.00 C ATOM 563 CG2 VAL A 40 -2.763 -11.199 -0.944 1.00 0.00 C ATOM 0 H VAL A 40 -6.376 -12.629 0.034 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.389 -10.127 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.001 -11.682 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.217 -13.785 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.991 -13.720 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.195 -13.421 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.899 -11.743 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.785 -11.267 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.692 -10.153 -0.647 1.00 0.00 H new ATOM 567 N SER A 41 -5.784 -11.586 -3.223 1.00 0.00 N ATOM 568 CA SER A 41 -5.741 -11.328 -4.659 1.00 0.00 C ATOM 569 C SER A 41 -6.501 -10.045 -4.972 1.00 0.00 C ATOM 570 O SER A 41 -5.951 -9.093 -5.536 1.00 0.00 O ATOM 571 CB SER A 41 -6.344 -12.501 -5.435 1.00 0.00 C ATOM 572 OG SER A 41 -7.632 -12.830 -4.943 1.00 0.00 O ATOM 0 H SER A 41 -6.293 -12.427 -2.952 1.00 0.00 H new ATOM 0 HA SER A 41 -4.701 -11.214 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.410 -12.246 -6.493 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.689 -13.368 -5.356 1.00 0.00 H new ATOM 0 HG SER A 41 -7.996 -13.581 -5.456 1.00 0.00 H new ATOM 578 N ASP A 42 -7.746 -9.991 -4.514 1.00 0.00 N ATOM 579 CA ASP A 42 -8.566 -8.801 -4.669 1.00 0.00 C ATOM 580 C ASP A 42 -7.892 -7.637 -3.967 1.00 0.00 C ATOM 581 O ASP A 42 -7.839 -6.511 -4.477 1.00 0.00 O ATOM 582 CB ASP A 42 -9.952 -9.040 -4.072 1.00 0.00 C ATOM 583 CG ASP A 42 -11.068 -8.672 -5.030 1.00 0.00 C ATOM 584 OD1 ASP A 42 -10.864 -8.799 -6.256 1.00 0.00 O ATOM 585 OD2 ASP A 42 -12.146 -8.258 -4.554 1.00 0.00 O ATOM 0 H ASP A 42 -8.209 -10.761 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.678 -8.571 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.048 -10.089 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.056 -8.456 -3.157 1.00 0.00 H new ATOM 590 N LEU A 43 -7.347 -7.934 -2.799 1.00 0.00 N ATOM 591 CA LEU A 43 -6.648 -6.943 -2.021 1.00 0.00 C ATOM 592 C LEU A 43 -5.423 -6.450 -2.768 1.00 0.00 C ATOM 593 O LEU A 43 -5.180 -5.248 -2.854 1.00 0.00 O ATOM 594 CB LEU A 43 -6.228 -7.539 -0.679 1.00 0.00 C ATOM 595 CG LEU A 43 -5.952 -6.538 0.453 1.00 0.00 C ATOM 596 CD1 LEU A 43 -4.867 -7.086 1.357 1.00 0.00 C ATOM 597 CD2 LEU A 43 -5.556 -5.170 -0.083 1.00 0.00 C ATOM 0 H LEU A 43 -7.379 -8.860 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.317 -6.100 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.010 -8.223 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.329 -8.135 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.872 -6.406 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.670 -6.376 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.193 -8.035 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.956 -7.241 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.370 -4.493 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.652 -5.263 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.363 -4.773 -0.700 1.00 0.00 H new ATOM 603 N LYS A 44 -4.667 -7.382 -3.345 1.00 0.00 N ATOM 604 CA LYS A 44 -3.457 -7.022 -4.066 1.00 0.00 C ATOM 605 C LYS A 44 -3.750 -5.939 -5.077 1.00 0.00 C ATOM 606 O LYS A 44 -2.929 -5.061 -5.295 1.00 0.00 O ATOM 607 CB LYS A 44 -2.818 -8.222 -4.758 1.00 0.00 C ATOM 608 CG LYS A 44 -1.309 -8.271 -4.568 1.00 0.00 C ATOM 609 CD LYS A 44 -0.943 -9.072 -3.335 1.00 0.00 C ATOM 610 CE LYS A 44 -1.075 -10.564 -3.590 1.00 0.00 C ATOM 611 NZ LYS A 44 -0.255 -11.004 -4.752 1.00 0.00 N ATOM 0 H LYS A 44 -4.871 -8.381 -3.326 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.744 -6.650 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.260 -9.139 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.046 -8.186 -5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.842 -8.716 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.917 -7.258 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.080 -8.840 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.589 -8.784 -2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.767 -11.113 -2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.121 -10.810 -3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.876 -11.181 -5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.431 -10.261 -4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.253 -11.878 -4.507 1.00 0.00 H new ATOM 625 N LYS A 45 -4.936 -5.974 -5.667 1.00 0.00 N ATOM 626 CA LYS A 45 -5.322 -4.911 -6.579 1.00 0.00 C ATOM 627 C LYS A 45 -5.376 -3.608 -5.802 1.00 0.00 C ATOM 628 O LYS A 45 -4.708 -2.633 -6.148 1.00 0.00 O ATOM 629 CB LYS A 45 -6.680 -5.209 -7.236 1.00 0.00 C ATOM 630 CG LYS A 45 -7.451 -3.983 -7.762 1.00 0.00 C ATOM 631 CD LYS A 45 -6.562 -2.895 -8.385 1.00 0.00 C ATOM 632 CE LYS A 45 -5.361 -3.462 -9.119 1.00 0.00 C ATOM 633 NZ LYS A 45 -5.163 -2.816 -10.447 1.00 0.00 N ATOM 0 H LYS A 45 -5.632 -6.708 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.587 -4.835 -7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.518 -5.897 -8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.308 -5.726 -6.511 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.174 -4.315 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.018 -3.546 -6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.157 -2.300 -9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.217 -2.221 -7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.466 -3.324 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.492 -4.536 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.333 -3.232 -10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.006 -2.969 -11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.012 -1.795 -10.317 1.00 0.00 H new ATOM 647 N TYR A 46 -6.138 -3.616 -4.714 1.00 0.00 N ATOM 648 CA TYR A 46 -6.267 -2.426 -3.888 1.00 0.00 C ATOM 649 C TYR A 46 -4.894 -2.000 -3.365 1.00 0.00 C ATOM 650 O TYR A 46 -4.496 -0.844 -3.512 1.00 0.00 O ATOM 651 CB TYR A 46 -7.258 -2.685 -2.733 1.00 0.00 C ATOM 652 CG TYR A 46 -7.045 -1.842 -1.483 1.00 0.00 C ATOM 653 CD1 TYR A 46 -6.587 -0.529 -1.560 1.00 0.00 C ATOM 654 CD2 TYR A 46 -7.316 -2.366 -0.227 1.00 0.00 C ATOM 655 CE1 TYR A 46 -6.387 0.224 -0.421 1.00 0.00 C ATOM 656 CE2 TYR A 46 -7.125 -1.615 0.917 1.00 0.00 C ATOM 657 CZ TYR A 46 -6.661 -0.320 0.816 1.00 0.00 C ATOM 658 OH TYR A 46 -6.472 0.431 1.953 1.00 0.00 O ATOM 0 H TYR A 46 -6.669 -4.424 -4.388 1.00 0.00 H new ATOM 0 HA TYR A 46 -6.664 -1.609 -4.491 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.269 -2.510 -3.100 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.197 -3.737 -2.455 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -6.385 -0.093 -2.527 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.683 -3.378 -0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.017 1.236 -0.498 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.338 -2.040 1.887 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.614 1.378 1.747 1.00 0.00 H new ATOM 668 N ILE A 47 -4.172 -2.940 -2.771 1.00 0.00 N ATOM 669 CA ILE A 47 -2.845 -2.656 -2.253 1.00 0.00 C ATOM 670 C ILE A 47 -1.912 -2.251 -3.399 1.00 0.00 C ATOM 671 O ILE A 47 -0.999 -1.446 -3.219 1.00 0.00 O ATOM 672 CB ILE A 47 -2.283 -3.847 -1.441 1.00 0.00 C ATOM 673 CG1 ILE A 47 -1.408 -3.331 -0.300 1.00 0.00 C ATOM 674 CG2 ILE A 47 -1.526 -4.841 -2.319 1.00 0.00 C ATOM 675 CD1 ILE A 47 -2.192 -2.882 0.914 1.00 0.00 C ATOM 0 H ILE A 47 -4.483 -3.902 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.915 -1.818 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.127 -4.393 -1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.714 -4.117 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.808 -2.496 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.151 -5.658 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.197 -5.239 -3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.689 -4.336 -2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.503 -2.529 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.867 -2.074 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.771 -3.719 1.303 1.00 0.00 H new ATOM 679 N ALA A 48 -2.162 -2.812 -4.581 1.00 0.00 N ATOM 680 CA ALA A 48 -1.378 -2.482 -5.764 1.00 0.00 C ATOM 681 C ALA A 48 -1.570 -1.014 -6.112 1.00 0.00 C ATOM 682 O ALA A 48 -0.631 -0.324 -6.507 1.00 0.00 O ATOM 683 CB ALA A 48 -1.764 -3.359 -6.947 1.00 0.00 C ATOM 0 H ALA A 48 -2.901 -3.496 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.327 -2.668 -5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.161 -3.087 -7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.589 -4.405 -6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.819 -3.213 -7.179 1.00 0.00 H new ATOM 689 N GLU A 49 -2.800 -0.535 -5.964 1.00 0.00 N ATOM 690 CA GLU A 49 -3.064 0.880 -6.148 1.00 0.00 C ATOM 691 C GLU A 49 -2.236 1.649 -5.121 1.00 0.00 C ATOM 692 O GLU A 49 -1.763 2.756 -5.361 1.00 0.00 O ATOM 693 CB GLU A 49 -4.558 1.186 -5.983 1.00 0.00 C ATOM 694 CG GLU A 49 -4.866 2.658 -5.764 1.00 0.00 C ATOM 695 CD GLU A 49 -6.338 2.979 -5.935 1.00 0.00 C ATOM 696 OE1 GLU A 49 -7.130 2.037 -6.146 1.00 0.00 O ATOM 697 OE2 GLU A 49 -6.698 4.172 -5.856 1.00 0.00 O ATOM 0 H GLU A 49 -3.615 -1.098 -5.721 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.786 1.183 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.089 0.842 -6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.945 0.615 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.549 2.946 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.284 3.255 -6.466 1.00 0.00 H new ATOM 704 N LEU A 50 -2.019 1.001 -3.988 1.00 0.00 N ATOM 705 CA LEU A 50 -1.236 1.562 -2.910 1.00 0.00 C ATOM 706 C LEU A 50 0.242 1.651 -3.267 1.00 0.00 C ATOM 707 O LEU A 50 0.822 2.737 -3.267 1.00 0.00 O ATOM 708 CB LEU A 50 -1.412 0.694 -1.679 1.00 0.00 C ATOM 709 CG LEU A 50 -1.488 1.463 -0.384 1.00 0.00 C ATOM 710 CD1 LEU A 50 -0.254 2.328 -0.227 1.00 0.00 C ATOM 711 CD2 LEU A 50 -2.745 2.303 -0.361 1.00 0.00 C ATOM 0 H LEU A 50 -2.384 0.069 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.588 2.576 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.322 0.104 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.581 -0.009 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.526 0.766 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.314 2.881 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.634 1.696 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.193 3.029 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.795 2.857 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.730 3.004 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.617 1.655 -0.447 1.00 0.00 H new ATOM 717 N GLU A 51 0.856 0.507 -3.553 1.00 0.00 N ATOM 718 CA GLU A 51 2.279 0.478 -3.875 1.00 0.00 C ATOM 719 C GLU A 51 2.615 1.513 -4.943 1.00 0.00 C ATOM 720 O GLU A 51 3.688 2.115 -4.918 1.00 0.00 O ATOM 721 CB GLU A 51 2.718 -0.916 -4.329 1.00 0.00 C ATOM 722 CG GLU A 51 1.813 -1.534 -5.372 1.00 0.00 C ATOM 723 CD GLU A 51 2.234 -1.195 -6.789 1.00 0.00 C ATOM 724 OE1 GLU A 51 3.170 -1.844 -7.302 1.00 0.00 O ATOM 725 OE2 GLU A 51 1.629 -0.279 -7.387 1.00 0.00 O ATOM 0 H GLU A 51 0.396 -0.403 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 51 2.827 0.726 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.730 -0.855 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.758 -1.574 -3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.809 -2.617 -5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.791 -1.191 -5.209 1.00 0.00 H new ATOM 732 N VAL A 52 1.682 1.740 -5.868 1.00 0.00 N ATOM 733 CA VAL A 52 1.884 2.739 -6.909 1.00 0.00 C ATOM 734 C VAL A 52 1.790 4.131 -6.332 1.00 0.00 C ATOM 735 O VAL A 52 2.457 5.060 -6.788 1.00 0.00 O ATOM 736 CB VAL A 52 0.892 2.579 -8.081 1.00 0.00 C ATOM 737 CG1 VAL A 52 -0.524 2.943 -7.671 1.00 0.00 C ATOM 738 CG2 VAL A 52 1.340 3.410 -9.273 1.00 0.00 C ATOM 0 H VAL A 52 0.789 1.250 -5.915 1.00 0.00 H new ATOM 0 HA VAL A 52 2.885 2.582 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 52 0.886 1.528 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.193 2.818 -8.522 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.846 2.292 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.551 3.981 -7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.630 3.286 -10.091 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.385 4.461 -8.988 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.327 3.080 -9.597 1.00 0.00 H new ATOM 742 N GLN A 53 1.009 4.247 -5.283 1.00 0.00 N ATOM 743 CA GLN A 53 0.851 5.510 -4.591 1.00 0.00 C ATOM 744 C GLN A 53 2.072 5.793 -3.714 1.00 0.00 C ATOM 745 O GLN A 53 3.045 6.389 -4.174 1.00 0.00 O ATOM 746 CB GLN A 53 -0.442 5.511 -3.766 1.00 0.00 C ATOM 747 CG GLN A 53 -1.695 5.310 -4.600 1.00 0.00 C ATOM 748 CD GLN A 53 -2.445 6.603 -4.845 1.00 0.00 C ATOM 749 OE1 GLN A 53 -2.510 7.473 -3.976 1.00 0.00 O ATOM 750 NE2 GLN A 53 -3.018 6.740 -6.036 1.00 0.00 N ATOM 0 H GLN A 53 0.469 3.478 -4.886 1.00 0.00 H new ATOM 0 HA GLN A 53 0.776 6.309 -5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.385 4.723 -3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.520 6.457 -3.230 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.422 4.865 -5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.353 4.602 -4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.940 5.995 -6.728 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.536 7.590 -6.258 1.00 0.00 H new