USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 650 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 Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 164:sc= 1.18 USER MOD Single : A 23 THR OG1 : rot -21:sc= 1.23 USER MOD Single : A 25 GLN : amide:sc= -0.0967 K(o=-0.097,f=-0.71) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= 0.00692 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 1.2 (180deg=0.908) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.626 K(o=-0.63,f=-3.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.179 K(o=0.18,f=-0.46) USER MOD Single : A 51 SER OG : rot 180:sc= -0.363 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -164:sc= -0.29 (180deg=-0.626) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 67 GLN :FLIP amide:sc= 0.831 F(o=-0.12,f=0.83) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -1.44 X(o=-1.4,f=-1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -2.545 -9.378 -8.265 1.00 0.00 N ATOM 84 CA TYR A 9 -2.071 -9.416 -6.887 1.00 0.00 C ATOM 85 C TYR A 9 -1.862 -10.831 -6.343 1.00 0.00 C ATOM 86 O TYR A 9 -1.014 -11.019 -5.479 1.00 0.00 O ATOM 87 CB TYR A 9 -3.089 -8.672 -6.015 1.00 0.00 C ATOM 88 CG TYR A 9 -4.548 -8.966 -6.323 1.00 0.00 C ATOM 89 CD1 TYR A 9 -5.151 -10.162 -5.884 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.295 -8.045 -7.081 1.00 0.00 C ATOM 91 CE1 TYR A 9 -6.485 -10.451 -6.218 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.641 -8.308 -7.374 1.00 0.00 C ATOM 93 CZ TYR A 9 -7.242 -9.515 -6.956 1.00 0.00 C ATOM 94 OH TYR A 9 -8.551 -9.749 -7.247 1.00 0.00 O ATOM 0 HA TYR A 9 -1.090 -8.941 -6.863 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.898 -8.920 -4.971 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.921 -7.601 -6.124 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.584 -10.861 -5.287 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.832 -7.136 -7.437 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.930 -11.386 -5.911 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.222 -7.582 -7.923 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.912 -8.996 -7.760 1.00 0.00 H new ATOM 104 N GLU A 10 -2.615 -11.810 -6.843 1.00 0.00 N ATOM 105 CA GLU A 10 -2.488 -13.232 -6.540 1.00 0.00 C ATOM 106 C GLU A 10 -1.038 -13.709 -6.696 1.00 0.00 C ATOM 107 O GLU A 10 -0.503 -14.347 -5.795 1.00 0.00 O ATOM 108 CB GLU A 10 -3.466 -14.038 -7.414 1.00 0.00 C ATOM 109 CG GLU A 10 -3.559 -13.538 -8.864 1.00 0.00 C ATOM 110 CD GLU A 10 -4.148 -14.595 -9.784 1.00 0.00 C ATOM 111 OE1 GLU A 10 -3.369 -15.418 -10.308 1.00 0.00 O ATOM 112 OE2 GLU A 10 -5.382 -14.608 -9.994 1.00 0.00 O ATOM 0 H GLU A 10 -3.368 -11.621 -7.504 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.753 -13.399 -5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.157 -15.083 -7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.457 -14.001 -6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.174 -12.639 -8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.566 -13.259 -9.218 1.00 0.00 H new ATOM 119 N LEU A 11 -0.370 -13.343 -7.791 1.00 0.00 N ATOM 120 CA LEU A 11 1.018 -13.708 -8.064 1.00 0.00 C ATOM 121 C LEU A 11 1.930 -13.175 -6.959 1.00 0.00 C ATOM 122 O LEU A 11 2.773 -13.880 -6.399 1.00 0.00 O ATOM 123 CB LEU A 11 1.385 -13.145 -9.445 1.00 0.00 C ATOM 124 CG LEU A 11 2.582 -13.843 -10.110 1.00 0.00 C ATOM 125 CD1 LEU A 11 2.608 -13.419 -11.582 1.00 0.00 C ATOM 126 CD2 LEU A 11 3.944 -13.540 -9.473 1.00 0.00 C ATOM 0 H LEU A 11 -0.788 -12.773 -8.526 1.00 0.00 H new ATOM 0 HA LEU A 11 1.146 -14.790 -8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.519 -13.229 -10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.607 -12.083 -9.345 1.00 0.00 H new ATOM 0 HG LEU A 11 2.436 -14.915 -9.980 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.448 -13.898 -12.084 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.678 -13.720 -12.064 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.716 -12.336 -11.647 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.725 -14.077 -10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.139 -12.469 -9.524 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.937 -13.858 -8.430 1.00 0.00 H new ATOM 138 N TYR A 12 1.714 -11.910 -6.609 1.00 0.00 N ATOM 139 CA TYR A 12 2.447 -11.203 -5.578 1.00 0.00 C ATOM 140 C TYR A 12 2.154 -11.776 -4.186 1.00 0.00 C ATOM 141 O TYR A 12 2.894 -11.455 -3.256 1.00 0.00 O ATOM 142 CB TYR A 12 2.135 -9.696 -5.648 1.00 0.00 C ATOM 143 CG TYR A 12 2.576 -9.013 -6.934 1.00 0.00 C ATOM 144 CD1 TYR A 12 1.839 -9.177 -8.124 1.00 0.00 C ATOM 145 CD2 TYR A 12 3.722 -8.194 -6.942 1.00 0.00 C ATOM 146 CE1 TYR A 12 2.250 -8.553 -9.316 1.00 0.00 C ATOM 147 CE2 TYR A 12 4.127 -7.547 -8.123 1.00 0.00 C ATOM 148 CZ TYR A 12 3.398 -7.729 -9.318 1.00 0.00 C ATOM 149 OH TYR A 12 3.810 -7.110 -10.455 1.00 0.00 O ATOM 0 H TYR A 12 0.999 -11.335 -7.054 1.00 0.00 H new ATOM 0 HA TYR A 12 3.513 -11.341 -5.757 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.061 -9.556 -5.528 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.617 -9.200 -4.806 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.949 -9.789 -8.121 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.293 -8.062 -6.035 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.690 -8.703 -10.227 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.998 -6.909 -8.116 1.00 0.00 H new ATOM 0 HH TYR A 12 4.615 -6.584 -10.268 1.00 0.00 H new ATOM 159 N MET A 13 1.124 -12.615 -3.994 1.00 0.00 N ATOM 160 CA MET A 13 0.930 -13.339 -2.737 1.00 0.00 C ATOM 161 C MET A 13 2.029 -14.374 -2.563 1.00 0.00 C ATOM 162 O MET A 13 2.632 -14.462 -1.492 1.00 0.00 O ATOM 163 CB MET A 13 -0.450 -13.995 -2.617 1.00 0.00 C ATOM 164 CG MET A 13 -1.613 -13.021 -2.823 1.00 0.00 C ATOM 165 SD MET A 13 -1.550 -11.462 -1.910 1.00 0.00 S ATOM 166 CE MET A 13 -3.172 -10.802 -2.349 1.00 0.00 C ATOM 0 H MET A 13 0.412 -12.806 -4.699 1.00 0.00 H new ATOM 0 HA MET A 13 0.984 -12.601 -1.937 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.526 -14.798 -3.350 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.541 -14.453 -1.632 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.676 -12.789 -3.886 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.536 -13.534 -2.554 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.312 -9.832 -1.871 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.237 -10.686 -3.431 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.948 -11.489 -2.011 1.00 0.00 H new ATOM 176 N TYR A 14 2.299 -15.138 -3.622 1.00 0.00 N ATOM 177 CA TYR A 14 3.325 -16.167 -3.627 1.00 0.00 C ATOM 178 C TYR A 14 4.683 -15.493 -3.423 1.00 0.00 C ATOM 179 O TYR A 14 5.448 -15.868 -2.535 1.00 0.00 O ATOM 180 CB TYR A 14 3.299 -16.973 -4.945 1.00 0.00 C ATOM 181 CG TYR A 14 1.947 -17.213 -5.597 1.00 0.00 C ATOM 182 CD1 TYR A 14 0.807 -17.501 -4.823 1.00 0.00 C ATOM 183 CD2 TYR A 14 1.827 -17.099 -6.997 1.00 0.00 C ATOM 184 CE1 TYR A 14 -0.452 -17.623 -5.433 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.578 -17.278 -7.621 1.00 0.00 C ATOM 186 CZ TYR A 14 -0.571 -17.512 -6.834 1.00 0.00 C ATOM 187 OH TYR A 14 -1.801 -17.607 -7.416 1.00 0.00 O ATOM 0 H TYR A 14 1.802 -15.054 -4.509 1.00 0.00 H new ATOM 0 HA TYR A 14 3.139 -16.875 -2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.933 -16.458 -5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.757 -17.944 -4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.901 -17.629 -3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.698 -16.873 -7.594 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.329 -17.802 -4.829 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.499 -17.237 -8.697 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.712 -17.508 -8.387 1.00 0.00 H new ATOM 197 N ARG A 15 4.977 -14.500 -4.268 1.00 0.00 N ATOM 198 CA ARG A 15 6.301 -13.907 -4.417 1.00 0.00 C ATOM 199 C ARG A 15 6.691 -13.015 -3.220 1.00 0.00 C ATOM 200 O ARG A 15 5.913 -12.802 -2.285 1.00 0.00 O ATOM 201 CB ARG A 15 6.346 -13.159 -5.775 1.00 0.00 C ATOM 202 CG ARG A 15 7.455 -13.614 -6.740 1.00 0.00 C ATOM 203 CD ARG A 15 8.859 -13.598 -6.127 1.00 0.00 C ATOM 204 NE ARG A 15 9.880 -14.090 -7.056 1.00 0.00 N ATOM 205 CZ ARG A 15 10.565 -13.363 -7.941 1.00 0.00 C ATOM 206 NH1 ARG A 15 10.294 -12.076 -8.138 1.00 0.00 N ATOM 207 NH2 ARG A 15 11.551 -13.926 -8.630 1.00 0.00 N ATOM 0 H ARG A 15 4.279 -14.078 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 15 7.055 -14.694 -4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.383 -13.282 -6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.471 -12.094 -5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.231 -14.624 -7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.446 -12.969 -7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.108 -12.581 -5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.866 -14.211 -5.226 1.00 0.00 H new ATOM 0 HE ARG A 15 10.088 -15.088 -7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.549 -11.625 -7.607 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.831 -11.540 -8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.781 -14.909 -8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.078 -13.376 -9.308 1.00 0.00 H new ATOM 221 N GLU A 16 7.913 -12.484 -3.269 1.00 0.00 N ATOM 222 CA GLU A 16 8.441 -11.412 -2.431 1.00 0.00 C ATOM 223 C GLU A 16 8.819 -10.247 -3.338 1.00 0.00 C ATOM 224 O GLU A 16 8.960 -10.424 -4.552 1.00 0.00 O ATOM 225 CB GLU A 16 9.676 -11.884 -1.650 1.00 0.00 C ATOM 226 CG GLU A 16 9.391 -12.979 -0.614 1.00 0.00 C ATOM 227 CD GLU A 16 10.575 -13.939 -0.498 1.00 0.00 C ATOM 228 OE1 GLU A 16 11.533 -13.602 0.237 1.00 0.00 O ATOM 229 OE2 GLU A 16 10.581 -14.989 -1.188 1.00 0.00 O ATOM 0 H GLU A 16 8.605 -12.815 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 16 7.685 -11.108 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.418 -12.254 -2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.119 -11.027 -1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.189 -12.524 0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.496 -13.532 -0.899 1.00 0.00 H new ATOM 236 N VAL A 17 9.000 -9.070 -2.742 1.00 0.00 N ATOM 237 CA VAL A 17 9.265 -7.812 -3.415 1.00 0.00 C ATOM 238 C VAL A 17 10.044 -6.933 -2.437 1.00 0.00 C ATOM 239 O VAL A 17 9.830 -7.020 -1.222 1.00 0.00 O ATOM 240 CB VAL A 17 7.934 -7.180 -3.885 1.00 0.00 C ATOM 241 CG1 VAL A 17 6.831 -7.195 -2.812 1.00 0.00 C ATOM 242 CG2 VAL A 17 8.106 -5.742 -4.407 1.00 0.00 C ATOM 0 H VAL A 17 8.963 -8.969 -1.728 1.00 0.00 H new ATOM 0 HA VAL A 17 9.865 -7.943 -4.315 1.00 0.00 H new ATOM 0 HB VAL A 17 7.616 -7.821 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.927 -6.736 -3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.618 -8.224 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.166 -6.635 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.139 -5.351 -4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.510 -5.113 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.791 -5.742 -5.255 1.00 0.00 H new ATOM 252 N ASP A 18 10.958 -6.100 -2.943 1.00 0.00 N ATOM 253 CA ASP A 18 11.849 -5.344 -2.076 1.00 0.00 C ATOM 254 C ASP A 18 11.155 -4.097 -1.530 1.00 0.00 C ATOM 255 O ASP A 18 11.097 -3.074 -2.219 1.00 0.00 O ATOM 256 CB ASP A 18 13.166 -4.978 -2.773 1.00 0.00 C ATOM 257 CG ASP A 18 14.145 -4.567 -1.689 1.00 0.00 C ATOM 258 OD1 ASP A 18 14.298 -5.342 -0.720 1.00 0.00 O ATOM 259 OD2 ASP A 18 14.717 -3.457 -1.735 1.00 0.00 O ATOM 0 H ASP A 18 11.095 -5.937 -3.940 1.00 0.00 H new ATOM 0 HA ASP A 18 12.101 -5.992 -1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.551 -5.826 -3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.013 -4.165 -3.483 1.00 0.00 H new ATOM 264 N THR A 19 10.575 -4.174 -0.325 1.00 0.00 N ATOM 265 CA THR A 19 9.635 -3.154 0.138 1.00 0.00 C ATOM 266 C THR A 19 10.296 -1.770 0.270 1.00 0.00 C ATOM 267 O THR A 19 9.629 -0.750 0.080 1.00 0.00 O ATOM 268 CB THR A 19 8.896 -3.589 1.421 1.00 0.00 C ATOM 269 OG1 THR A 19 9.769 -3.934 2.477 1.00 0.00 O ATOM 270 CG2 THR A 19 7.993 -4.801 1.179 1.00 0.00 C ATOM 0 H THR A 19 10.741 -4.929 0.341 1.00 0.00 H new ATOM 0 HA THR A 19 8.872 -3.051 -0.634 1.00 0.00 H new ATOM 0 HB THR A 19 8.308 -2.715 1.702 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.273 -3.944 3.322 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.492 -5.073 2.108 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.247 -4.554 0.424 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.596 -5.640 0.832 1.00 0.00 H new ATOM 278 N LEU A 20 11.601 -1.693 0.548 1.00 0.00 N ATOM 279 CA LEU A 20 12.295 -0.429 0.705 1.00 0.00 C ATOM 280 C LEU A 20 12.397 0.274 -0.641 1.00 0.00 C ATOM 281 O LEU A 20 11.950 1.416 -0.753 1.00 0.00 O ATOM 282 CB LEU A 20 13.685 -0.671 1.312 1.00 0.00 C ATOM 283 CG LEU A 20 13.760 -0.599 2.847 1.00 0.00 C ATOM 284 CD1 LEU A 20 13.565 0.843 3.321 1.00 0.00 C ATOM 285 CD2 LEU A 20 12.752 -1.521 3.547 1.00 0.00 C ATOM 0 H LEU A 20 12.199 -2.511 0.669 1.00 0.00 H new ATOM 0 HA LEU A 20 11.735 0.215 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.035 -1.653 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.376 0.063 0.897 1.00 0.00 H new ATOM 0 HG LEU A 20 14.754 -0.951 3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.620 0.879 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.346 1.474 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.590 1.204 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.858 -1.422 4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.740 -1.242 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.942 -2.554 3.257 1.00 0.00 H new ATOM 297 N GLU A 21 12.965 -0.393 -1.644 1.00 0.00 N ATOM 298 CA GLU A 21 13.090 0.126 -3.002 1.00 0.00 C ATOM 299 C GLU A 21 11.699 0.419 -3.580 1.00 0.00 C ATOM 300 O GLU A 21 11.523 1.409 -4.279 1.00 0.00 O ATOM 301 CB GLU A 21 13.810 -0.919 -3.841 1.00 0.00 C ATOM 302 CG GLU A 21 14.472 -0.467 -5.152 1.00 0.00 C ATOM 303 CD GLU A 21 13.533 -0.287 -6.350 1.00 0.00 C ATOM 304 OE1 GLU A 21 12.506 -1.007 -6.454 1.00 0.00 O ATOM 305 OE2 GLU A 21 13.870 0.564 -7.207 1.00 0.00 O ATOM 0 H GLU A 21 13.358 -1.327 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 21 13.657 1.057 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.581 -1.373 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.093 -1.703 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.983 0.478 -4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.236 -1.196 -5.421 1.00 0.00 H new ATOM 312 N LEU A 22 10.692 -0.394 -3.235 1.00 0.00 N ATOM 313 CA LEU A 22 9.305 -0.164 -3.618 1.00 0.00 C ATOM 314 C LEU A 22 8.837 1.197 -3.106 1.00 0.00 C ATOM 315 O LEU A 22 8.370 2.000 -3.907 1.00 0.00 O ATOM 316 CB LEU A 22 8.427 -1.338 -3.150 1.00 0.00 C ATOM 317 CG LEU A 22 6.910 -1.077 -3.181 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.376 -0.858 -4.588 1.00 0.00 C ATOM 319 CD2 LEU A 22 6.157 -2.255 -2.561 1.00 0.00 C ATOM 0 H LEU A 22 10.825 -1.237 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 22 9.215 -0.128 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.643 -2.204 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.713 -1.601 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 22 6.747 -0.164 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.302 -0.679 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.870 0.005 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.573 -1.743 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.085 -2.057 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.374 -3.162 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.475 -2.386 -1.527 1.00 0.00 H new ATOM 331 N THR A 23 8.971 1.497 -1.805 1.00 0.00 N ATOM 332 CA THR A 23 8.599 2.838 -1.316 1.00 0.00 C ATOM 333 C THR A 23 9.351 3.907 -2.102 1.00 0.00 C ATOM 334 O THR A 23 8.756 4.901 -2.508 1.00 0.00 O ATOM 335 CB THR A 23 8.817 3.058 0.192 1.00 0.00 C ATOM 336 OG1 THR A 23 10.149 2.918 0.654 1.00 0.00 O ATOM 337 CG2 THR A 23 7.911 2.141 0.987 1.00 0.00 C ATOM 0 H THR A 23 9.321 0.856 -1.093 1.00 0.00 H new ATOM 0 HA THR A 23 7.524 2.917 -1.477 1.00 0.00 H new ATOM 0 HB THR A 23 8.569 4.107 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.665 2.390 0.010 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.073 2.304 2.053 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.871 2.354 0.741 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.137 1.103 0.740 1.00 0.00 H new ATOM 345 N ARG A 24 10.644 3.680 -2.338 1.00 0.00 N ATOM 346 CA ARG A 24 11.512 4.551 -3.119 1.00 0.00 C ATOM 347 C ARG A 24 10.892 4.881 -4.480 1.00 0.00 C ATOM 348 O ARG A 24 10.632 6.056 -4.748 1.00 0.00 O ATOM 349 CB ARG A 24 12.908 3.899 -3.258 1.00 0.00 C ATOM 350 CG ARG A 24 13.977 4.795 -2.617 1.00 0.00 C ATOM 351 CD ARG A 24 13.979 4.675 -1.088 1.00 0.00 C ATOM 352 NE ARG A 24 14.775 3.515 -0.661 1.00 0.00 N ATOM 353 CZ ARG A 24 16.100 3.520 -0.453 1.00 0.00 C ATOM 354 NH1 ARG A 24 16.807 4.643 -0.532 1.00 0.00 N ATOM 355 NH2 ARG A 24 16.732 2.389 -0.179 1.00 0.00 N ATOM 0 H ARG A 24 11.128 2.857 -1.978 1.00 0.00 H new ATOM 0 HA ARG A 24 11.628 5.501 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.909 2.920 -2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.140 3.740 -4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.959 4.523 -3.004 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.799 5.832 -2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.387 5.585 -0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.956 4.575 -0.724 1.00 0.00 H new ATOM 0 HE ARG A 24 14.280 2.636 -0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.343 5.523 -0.754 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.814 4.624 -0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.211 1.514 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.740 2.393 -0.021 1.00 0.00 H new ATOM 369 N GLN A 25 10.624 3.870 -5.304 1.00 0.00 N ATOM 370 CA GLN A 25 10.073 4.006 -6.647 1.00 0.00 C ATOM 371 C GLN A 25 8.723 4.698 -6.621 1.00 0.00 C ATOM 372 O GLN A 25 8.457 5.537 -7.485 1.00 0.00 O ATOM 373 CB GLN A 25 9.927 2.614 -7.280 1.00 0.00 C ATOM 374 CG GLN A 25 11.279 2.044 -7.677 1.00 0.00 C ATOM 375 CD GLN A 25 11.849 2.679 -8.934 1.00 0.00 C ATOM 376 OE1 GLN A 25 12.393 3.784 -8.919 1.00 0.00 O ATOM 377 NE2 GLN A 25 11.705 2.006 -10.058 1.00 0.00 N ATOM 0 H GLN A 25 10.792 2.898 -5.043 1.00 0.00 H new ATOM 0 HA GLN A 25 10.755 4.617 -7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.439 1.941 -6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.284 2.677 -8.158 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.981 2.185 -6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.182 0.969 -7.832 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.252 1.092 -10.051 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.047 2.399 -10.935 1.00 0.00 H new ATOM 386 N VAL A 26 7.880 4.354 -5.647 1.00 0.00 N ATOM 387 CA VAL A 26 6.566 4.949 -5.472 1.00 0.00 C ATOM 388 C VAL A 26 6.754 6.448 -5.213 1.00 0.00 C ATOM 389 O VAL A 26 6.224 7.284 -5.939 1.00 0.00 O ATOM 390 CB VAL A 26 5.839 4.219 -4.323 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.522 4.889 -3.916 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.565 2.755 -4.686 1.00 0.00 C ATOM 0 H VAL A 26 8.100 3.643 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 26 5.943 4.842 -6.360 1.00 0.00 H new ATOM 0 HB VAL A 26 6.515 4.272 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.063 4.325 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.720 5.908 -3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.846 4.911 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.052 2.265 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.939 2.712 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.509 2.246 -4.881 1.00 0.00 H new ATOM 402 N LYS A 27 7.544 6.796 -4.195 1.00 0.00 N ATOM 403 CA LYS A 27 7.844 8.164 -3.793 1.00 0.00 C ATOM 404 C LYS A 27 8.414 8.968 -4.955 1.00 0.00 C ATOM 405 O LYS A 27 8.065 10.142 -5.076 1.00 0.00 O ATOM 406 CB LYS A 27 8.815 8.138 -2.599 1.00 0.00 C ATOM 407 CG LYS A 27 8.103 7.844 -1.275 1.00 0.00 C ATOM 408 CD LYS A 27 8.979 7.194 -0.189 1.00 0.00 C ATOM 409 CE LYS A 27 10.417 7.695 -0.059 1.00 0.00 C ATOM 410 NZ LYS A 27 10.747 8.061 1.337 1.00 0.00 N ATOM 0 H LYS A 27 8.008 6.103 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 27 6.921 8.658 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.580 7.382 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.326 9.098 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.700 8.778 -0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.255 7.189 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.484 7.334 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.011 6.121 -0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.104 6.922 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.560 8.561 -0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.776 8.002 1.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.427 9.032 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.270 7.406 1.989 1.00 0.00 H new ATOM 424 N GLU A 28 9.273 8.379 -5.790 1.00 0.00 N ATOM 425 CA GLU A 28 9.763 9.043 -6.992 1.00 0.00 C ATOM 426 C GLU A 28 8.607 9.295 -7.954 1.00 0.00 C ATOM 427 O GLU A 28 8.304 10.451 -8.230 1.00 0.00 O ATOM 428 CB GLU A 28 10.890 8.254 -7.674 1.00 0.00 C ATOM 429 CG GLU A 28 12.203 8.400 -6.897 1.00 0.00 C ATOM 430 CD GLU A 28 13.426 8.031 -7.732 1.00 0.00 C ATOM 431 OE1 GLU A 28 13.662 8.706 -8.754 1.00 0.00 O ATOM 432 OE2 GLU A 28 14.187 7.137 -7.291 1.00 0.00 O ATOM 0 H GLU A 28 9.643 7.439 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 28 10.192 10.000 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.615 7.201 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.024 8.612 -8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.302 9.428 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.168 7.766 -6.011 1.00 0.00 H new ATOM 439 N LYS A 29 7.945 8.248 -8.459 1.00 0.00 N ATOM 440 CA LYS A 29 6.929 8.392 -9.506 1.00 0.00 C ATOM 441 C LYS A 29 5.786 9.324 -9.082 1.00 0.00 C ATOM 442 O LYS A 29 5.257 10.058 -9.912 1.00 0.00 O ATOM 443 CB LYS A 29 6.465 7.029 -9.994 1.00 0.00 C ATOM 444 CG LYS A 29 5.892 7.184 -11.414 1.00 0.00 C ATOM 445 CD LYS A 29 5.624 5.819 -12.020 1.00 0.00 C ATOM 446 CE LYS A 29 6.869 5.123 -12.586 1.00 0.00 C ATOM 447 NZ LYS A 29 6.512 3.927 -13.384 1.00 0.00 N ATOM 0 H LYS A 29 8.097 7.286 -8.157 1.00 0.00 H new ATOM 0 HA LYS A 29 7.386 8.888 -10.363 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.297 6.325 -9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.708 6.625 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.969 7.763 -11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.593 7.737 -12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.178 5.178 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.888 5.927 -12.817 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.426 5.823 -13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.527 4.831 -11.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.345 3.311 -13.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.748 3.407 -12.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.192 4.223 -14.328 1.00 0.00 H new ATOM 461 N LEU A 30 5.442 9.339 -7.791 1.00 0.00 N ATOM 462 CA LEU A 30 4.471 10.267 -7.227 1.00 0.00 C ATOM 463 C LEU A 30 4.992 11.694 -7.326 1.00 0.00 C ATOM 464 O LEU A 30 4.339 12.539 -7.937 1.00 0.00 O ATOM 465 CB LEU A 30 4.159 9.918 -5.762 1.00 0.00 C ATOM 466 CG LEU A 30 3.335 8.630 -5.604 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.323 8.210 -4.135 1.00 0.00 C ATOM 468 CD2 LEU A 30 1.888 8.799 -6.060 1.00 0.00 C ATOM 0 H LEU A 30 5.838 8.697 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 30 3.548 10.183 -7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.095 9.811 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.616 10.746 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 30 3.806 7.874 -6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.739 7.297 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.344 8.031 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.877 9.002 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.352 7.859 -5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.408 9.578 -5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.869 9.081 -7.113 1.00 0.00 H new ATOM 480 N ALA A 31 6.147 11.976 -6.714 1.00 0.00 N ATOM 481 CA ALA A 31 6.706 13.322 -6.658 1.00 0.00 C ATOM 482 C ALA A 31 6.998 13.863 -8.061 1.00 0.00 C ATOM 483 O ALA A 31 6.808 15.046 -8.309 1.00 0.00 O ATOM 484 CB ALA A 31 7.975 13.309 -5.805 1.00 0.00 C ATOM 0 H ALA A 31 6.718 11.273 -6.244 1.00 0.00 H new ATOM 0 HA ALA A 31 5.973 13.987 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.395 14.314 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.732 12.973 -4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.704 12.630 -6.248 1.00 0.00 H new ATOM 490 N LYS A 32 7.383 12.996 -8.999 1.00 0.00 N ATOM 491 CA LYS A 32 7.615 13.298 -10.410 1.00 0.00 C ATOM 492 C LYS A 32 6.409 13.940 -11.089 1.00 0.00 C ATOM 493 O LYS A 32 6.564 14.638 -12.090 1.00 0.00 O ATOM 494 CB LYS A 32 7.969 11.968 -11.086 1.00 0.00 C ATOM 495 CG LYS A 32 8.446 12.123 -12.529 1.00 0.00 C ATOM 496 CD LYS A 32 7.353 11.854 -13.571 1.00 0.00 C ATOM 497 CE LYS A 32 7.620 12.704 -14.813 1.00 0.00 C ATOM 498 NZ LYS A 32 6.778 12.277 -15.943 1.00 0.00 N ATOM 0 H LYS A 32 7.550 12.013 -8.782 1.00 0.00 H new ATOM 0 HA LYS A 32 8.419 14.029 -10.499 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.747 11.471 -10.506 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.095 11.317 -11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.829 13.134 -12.669 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.278 11.440 -12.703 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.339 10.797 -13.836 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.373 12.092 -13.157 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.426 13.753 -14.588 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.671 12.627 -15.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.981 12.872 -16.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.982 11.283 -16.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.775 12.374 -15.685 1.00 0.00 H new ATOM 512 N ASN A 33 5.216 13.641 -10.587 1.00 0.00 N ATOM 513 CA ASN A 33 3.932 14.148 -11.062 1.00 0.00 C ATOM 514 C ASN A 33 3.278 15.074 -10.020 1.00 0.00 C ATOM 515 O ASN A 33 2.104 15.432 -10.169 1.00 0.00 O ATOM 516 CB ASN A 33 3.020 12.962 -11.439 1.00 0.00 C ATOM 517 CG ASN A 33 3.423 12.282 -12.741 1.00 0.00 C ATOM 518 OD1 ASN A 33 3.745 12.935 -13.728 1.00 0.00 O ATOM 519 ND2 ASN A 33 3.411 10.963 -12.797 1.00 0.00 N ATOM 0 H ASN A 33 5.112 13.005 -9.796 1.00 0.00 H new ATOM 0 HA ASN A 33 4.092 14.754 -11.954 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.038 12.228 -10.633 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.993 13.316 -11.525 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.670 10.487 -13.661 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.143 10.420 -11.976 1.00 0.00 H new ATOM 526 N GLY A 34 4.001 15.452 -8.957 1.00 0.00 N ATOM 527 CA GLY A 34 3.545 16.333 -7.886 1.00 0.00 C ATOM 528 C GLY A 34 2.479 15.711 -6.979 1.00 0.00 C ATOM 529 O GLY A 34 1.774 16.445 -6.281 1.00 0.00 O ATOM 0 H GLY A 34 4.961 15.135 -8.819 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.402 16.622 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.145 17.246 -8.326 1.00 0.00 H new ATOM 533 N ILE A 35 2.311 14.388 -7.015 1.00 0.00 N ATOM 534 CA ILE A 35 1.209 13.681 -6.377 1.00 0.00 C ATOM 535 C ILE A 35 1.448 13.646 -4.868 1.00 0.00 C ATOM 536 O ILE A 35 2.344 12.949 -4.390 1.00 0.00 O ATOM 537 CB ILE A 35 1.005 12.285 -6.986 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.783 12.420 -8.506 1.00 0.00 C ATOM 539 CG2 ILE A 35 -0.217 11.603 -6.336 1.00 0.00 C ATOM 540 CD1 ILE A 35 0.764 11.078 -9.221 1.00 0.00 C ATOM 0 H ILE A 35 2.956 13.766 -7.502 1.00 0.00 H new ATOM 0 HA ILE A 35 0.276 14.214 -6.560 1.00 0.00 H new ATOM 0 HB ILE A 35 1.889 11.675 -6.801 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.160 12.936 -8.686 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.572 13.041 -8.930 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.356 10.614 -6.772 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.052 11.507 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.107 12.206 -6.513 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.604 11.236 -10.288 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.717 10.571 -9.068 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.043 10.464 -8.821 1.00 0.00 H new ATOM 552 N CYS A 36 0.611 14.367 -4.123 1.00 0.00 N ATOM 553 CA CYS A 36 0.687 14.496 -2.679 1.00 0.00 C ATOM 554 C CYS A 36 0.543 13.124 -2.015 1.00 0.00 C ATOM 555 O CYS A 36 -0.557 12.576 -1.942 1.00 0.00 O ATOM 556 CB CYS A 36 -0.432 15.446 -2.227 1.00 0.00 C ATOM 557 SG CYS A 36 0.172 17.155 -2.241 1.00 0.00 S ATOM 0 H CYS A 36 -0.163 14.893 -4.528 1.00 0.00 H new ATOM 0 HA CYS A 36 1.655 14.901 -2.384 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.293 15.349 -2.888 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.768 15.177 -1.225 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.779 17.955 -1.860 1.00 0.00 H new ATOM 563 N GLN A 37 1.650 12.579 -1.501 1.00 0.00 N ATOM 564 CA GLN A 37 1.765 11.204 -1.012 1.00 0.00 C ATOM 565 C GLN A 37 0.701 10.853 0.037 1.00 0.00 C ATOM 566 O GLN A 37 0.234 9.713 0.075 1.00 0.00 O ATOM 567 CB GLN A 37 3.158 10.930 -0.413 1.00 0.00 C ATOM 568 CG GLN A 37 4.322 10.904 -1.422 1.00 0.00 C ATOM 569 CD GLN A 37 4.687 12.291 -1.933 1.00 0.00 C ATOM 570 OE1 GLN A 37 4.577 13.273 -1.206 1.00 0.00 O ATOM 571 NE2 GLN A 37 5.129 12.413 -3.167 1.00 0.00 N ATOM 0 H GLN A 37 2.521 13.103 -1.411 1.00 0.00 H new ATOM 0 HA GLN A 37 1.608 10.573 -1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.368 11.692 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.129 9.972 0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.196 10.453 -0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.052 10.270 -2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.216 11.589 -3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.385 13.332 -3.529 1.00 0.00 H new ATOM 580 N ARG A 38 0.316 11.802 0.899 1.00 0.00 N ATOM 581 CA ARG A 38 -0.703 11.572 1.921 1.00 0.00 C ATOM 582 C ARG A 38 -2.039 11.214 1.266 1.00 0.00 C ATOM 583 O ARG A 38 -2.695 10.252 1.658 1.00 0.00 O ATOM 584 CB ARG A 38 -0.822 12.833 2.794 1.00 0.00 C ATOM 585 CG ARG A 38 -1.574 12.584 4.108 1.00 0.00 C ATOM 586 CD ARG A 38 -2.385 13.808 4.545 1.00 0.00 C ATOM 587 NE ARG A 38 -3.650 13.928 3.792 1.00 0.00 N ATOM 588 CZ ARG A 38 -4.682 14.717 4.113 1.00 0.00 C ATOM 589 NH1 ARG A 38 -4.675 15.401 5.257 1.00 0.00 N ATOM 590 NH2 ARG A 38 -5.702 14.808 3.275 1.00 0.00 N ATOM 0 H ARG A 38 0.702 12.746 0.905 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.417 10.732 2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.176 13.208 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.336 13.612 2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.242 11.731 3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.861 12.323 4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.602 13.738 5.611 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.789 14.709 4.400 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.746 13.358 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.881 15.324 5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.464 16.001 5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.693 14.282 2.401 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.498 15.404 3.503 1.00 0.00 H new ATOM 604 N ILE A 39 -2.450 12.011 0.282 1.00 0.00 N ATOM 605 CA ILE A 39 -3.715 11.851 -0.419 1.00 0.00 C ATOM 606 C ILE A 39 -3.605 10.666 -1.377 1.00 0.00 C ATOM 607 O ILE A 39 -4.594 9.966 -1.575 1.00 0.00 O ATOM 608 CB ILE A 39 -4.051 13.160 -1.167 1.00 0.00 C ATOM 609 CG1 ILE A 39 -4.314 14.323 -0.183 1.00 0.00 C ATOM 610 CG2 ILE A 39 -5.262 12.977 -2.102 1.00 0.00 C ATOM 611 CD1 ILE A 39 -4.225 15.698 -0.857 1.00 0.00 C ATOM 0 H ILE A 39 -1.899 12.801 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.523 11.648 0.284 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.181 13.412 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.303 14.203 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.592 14.275 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.472 13.916 -2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.040 12.205 -2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.132 12.680 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.418 16.478 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.228 15.834 -1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.966 15.761 -1.654 1.00 0.00 H new ATOM 623 N PHE A 40 -2.431 10.399 -1.955 1.00 0.00 N ATOM 624 CA PHE A 40 -2.207 9.196 -2.747 1.00 0.00 C ATOM 625 C PHE A 40 -2.647 7.981 -1.945 1.00 0.00 C ATOM 626 O PHE A 40 -3.472 7.196 -2.396 1.00 0.00 O ATOM 627 CB PHE A 40 -0.728 9.065 -3.129 1.00 0.00 C ATOM 628 CG PHE A 40 -0.228 7.646 -3.369 1.00 0.00 C ATOM 629 CD1 PHE A 40 -0.605 6.936 -4.522 1.00 0.00 C ATOM 630 CD2 PHE A 40 0.613 7.023 -2.424 1.00 0.00 C ATOM 631 CE1 PHE A 40 -0.134 5.628 -4.739 1.00 0.00 C ATOM 632 CE2 PHE A 40 1.095 5.722 -2.646 1.00 0.00 C ATOM 633 CZ PHE A 40 0.719 5.019 -3.803 1.00 0.00 C ATOM 0 H PHE A 40 -1.616 11.009 -1.886 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.790 9.262 -3.665 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.552 9.649 -4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.127 9.513 -2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.260 7.397 -5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.889 7.550 -1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.429 5.090 -5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.756 5.262 -1.926 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.083 4.016 -3.972 1.00 0.00 H new ATOM 643 N GLY A 41 -2.138 7.851 -0.726 1.00 0.00 N ATOM 644 CA GLY A 41 -2.557 6.753 0.131 1.00 0.00 C ATOM 645 C GLY A 41 -4.047 6.771 0.473 1.00 0.00 C ATOM 646 O GLY A 41 -4.626 5.712 0.692 1.00 0.00 O ATOM 0 H GLY A 41 -1.448 8.480 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.318 5.810 -0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.981 6.786 1.056 1.00 0.00 H new ATOM 650 N GLU A 42 -4.679 7.943 0.539 1.00 0.00 N ATOM 651 CA GLU A 42 -6.046 8.091 1.009 1.00 0.00 C ATOM 652 C GLU A 42 -7.028 7.631 -0.072 1.00 0.00 C ATOM 653 O GLU A 42 -7.986 6.902 0.186 1.00 0.00 O ATOM 654 CB GLU A 42 -6.214 9.521 1.539 1.00 0.00 C ATOM 655 CG GLU A 42 -6.942 10.539 0.688 1.00 0.00 C ATOM 656 CD GLU A 42 -7.148 11.873 1.425 1.00 0.00 C ATOM 657 OE1 GLU A 42 -6.183 12.404 2.026 1.00 0.00 O ATOM 658 OE2 GLU A 42 -8.275 12.420 1.405 1.00 0.00 O ATOM 0 H GLU A 42 -4.246 8.824 0.263 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.280 7.439 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.735 9.459 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.219 9.915 1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.377 10.715 -0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.911 10.136 0.392 1.00 0.00 H new ATOM 665 N LYS A 43 -6.730 8.040 -1.299 1.00 0.00 N ATOM 666 CA LYS A 43 -7.520 7.823 -2.509 1.00 0.00 C ATOM 667 C LYS A 43 -7.097 6.608 -3.352 1.00 0.00 C ATOM 668 O LYS A 43 -7.956 6.072 -4.055 1.00 0.00 O ATOM 669 CB LYS A 43 -7.481 9.101 -3.345 1.00 0.00 C ATOM 670 CG LYS A 43 -8.315 10.227 -2.703 1.00 0.00 C ATOM 671 CD LYS A 43 -8.739 11.202 -3.793 1.00 0.00 C ATOM 672 CE LYS A 43 -9.550 12.403 -3.292 1.00 0.00 C ATOM 673 NZ LYS A 43 -10.948 12.058 -2.957 1.00 0.00 N ATOM 0 H LYS A 43 -5.877 8.565 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.534 7.588 -2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.448 9.431 -3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.859 8.893 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.191 9.812 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.731 10.743 -1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.847 11.569 -4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.330 10.664 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.064 12.820 -2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.547 13.181 -4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.445 12.909 -2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.426 11.686 -3.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.958 11.337 -2.208 1.00 0.00 H new ATOM 687 N VAL A 44 -5.840 6.159 -3.332 1.00 0.00 N ATOM 688 CA VAL A 44 -5.396 4.944 -4.037 1.00 0.00 C ATOM 689 C VAL A 44 -5.398 3.782 -3.056 1.00 0.00 C ATOM 690 O VAL A 44 -6.068 2.778 -3.295 1.00 0.00 O ATOM 691 CB VAL A 44 -3.995 5.088 -4.689 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.570 3.820 -5.450 1.00 0.00 C ATOM 693 CG2 VAL A 44 -3.945 6.275 -5.649 1.00 0.00 C ATOM 0 H VAL A 44 -5.092 6.629 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.094 4.766 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.300 5.252 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.583 3.972 -5.888 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.535 2.976 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.290 3.612 -6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.950 6.346 -6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.681 6.134 -6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.168 7.193 -5.105 1.00 0.00 H new ATOM 703 N LEU A 45 -4.579 3.890 -2.003 1.00 0.00 N ATOM 704 CA LEU A 45 -4.218 2.756 -1.156 1.00 0.00 C ATOM 705 C LEU A 45 -5.273 2.491 -0.082 1.00 0.00 C ATOM 706 O LEU A 45 -5.244 1.421 0.521 1.00 0.00 O ATOM 707 CB LEU A 45 -2.836 2.965 -0.503 1.00 0.00 C ATOM 708 CG LEU A 45 -1.671 3.237 -1.482 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.382 3.508 -0.704 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.403 2.049 -2.397 1.00 0.00 C ATOM 0 H LEU A 45 -4.149 4.770 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.169 1.880 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.905 3.801 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.594 2.080 0.085 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.964 4.099 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.432 3.698 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.520 4.378 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.138 2.641 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.577 2.285 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.144 1.178 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.296 1.833 -2.984 1.00 0.00 H new ATOM 722 N GLY A 46 -6.192 3.428 0.153 1.00 0.00 N ATOM 723 CA GLY A 46 -7.252 3.328 1.141 1.00 0.00 C ATOM 724 C GLY A 46 -6.745 3.219 2.578 1.00 0.00 C ATOM 725 O GLY A 46 -7.401 2.580 3.406 1.00 0.00 O ATOM 0 H GLY A 46 -6.214 4.308 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.897 4.203 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.866 2.456 0.915 1.00 0.00 H new ATOM 729 N LEU A 47 -5.587 3.816 2.872 1.00 0.00 N ATOM 730 CA LEU A 47 -5.019 3.852 4.212 1.00 0.00 C ATOM 731 C LEU A 47 -5.227 5.219 4.838 1.00 0.00 C ATOM 732 O LEU A 47 -5.370 6.225 4.135 1.00 0.00 O ATOM 733 CB LEU A 47 -3.518 3.534 4.165 1.00 0.00 C ATOM 734 CG LEU A 47 -3.201 2.068 3.829 1.00 0.00 C ATOM 735 CD1 LEU A 47 -1.677 1.931 3.785 1.00 0.00 C ATOM 736 CD2 LEU A 47 -3.772 1.073 4.848 1.00 0.00 C ATOM 0 H LEU A 47 -5.015 4.292 2.174 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.526 3.100 4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.044 4.177 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.074 3.779 5.130 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.668 1.827 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.411 0.901 3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.274 2.595 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.259 2.200 4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.511 0.057 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.354 1.281 5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.857 1.173 4.886 1.00 0.00 H new ATOM 748 N SER A 48 -5.169 5.238 6.171 1.00 0.00 N ATOM 749 CA SER A 48 -5.178 6.449 6.963 1.00 0.00 C ATOM 750 C SER A 48 -4.044 7.356 6.509 1.00 0.00 C ATOM 751 O SER A 48 -2.924 6.908 6.254 1.00 0.00 O ATOM 752 CB SER A 48 -5.047 6.111 8.450 1.00 0.00 C ATOM 753 OG SER A 48 -6.054 5.212 8.880 1.00 0.00 O ATOM 0 H SER A 48 -5.113 4.389 6.733 1.00 0.00 H new ATOM 0 HA SER A 48 -6.124 6.971 6.821 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.066 5.674 8.637 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.105 7.028 9.037 1.00 0.00 H new ATOM 0 HG SER A 48 -5.935 5.020 9.834 1.00 0.00 H new ATOM 759 N GLN A 49 -4.362 8.640 6.443 1.00 0.00 N ATOM 760 CA GLN A 49 -3.544 9.702 5.887 1.00 0.00 C ATOM 761 C GLN A 49 -2.139 9.725 6.503 1.00 0.00 C ATOM 762 O GLN A 49 -1.159 9.933 5.788 1.00 0.00 O ATOM 763 CB GLN A 49 -4.335 11.005 6.084 1.00 0.00 C ATOM 764 CG GLN A 49 -5.557 11.046 5.142 1.00 0.00 C ATOM 765 CD GLN A 49 -6.689 11.964 5.603 1.00 0.00 C ATOM 766 OE1 GLN A 49 -7.007 12.056 6.789 1.00 0.00 O ATOM 767 NE2 GLN A 49 -7.350 12.636 4.678 1.00 0.00 N ATOM 0 H GLN A 49 -5.253 8.987 6.798 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.355 9.550 4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.665 11.084 7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.690 11.862 5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.226 11.367 4.154 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.949 10.035 5.034 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.080 12.554 3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.130 13.237 4.944 1.00 0.00 H new ATOM 776 N GLY A 50 -2.018 9.463 7.806 1.00 0.00 N ATOM 777 CA GLY A 50 -0.731 9.367 8.480 1.00 0.00 C ATOM 778 C GLY A 50 -0.103 7.983 8.361 1.00 0.00 C ATOM 779 O GLY A 50 1.123 7.877 8.336 1.00 0.00 O ATOM 0 H GLY A 50 -2.817 9.311 8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.050 10.107 8.060 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.859 9.613 9.534 1.00 0.00 H new ATOM 783 N SER A 51 -0.909 6.923 8.234 1.00 0.00 N ATOM 784 CA SER A 51 -0.399 5.573 8.078 1.00 0.00 C ATOM 785 C SER A 51 0.480 5.488 6.849 1.00 0.00 C ATOM 786 O SER A 51 1.606 5.024 6.994 1.00 0.00 O ATOM 787 CB SER A 51 -1.509 4.531 7.989 1.00 0.00 C ATOM 788 OG SER A 51 -2.155 4.406 9.233 1.00 0.00 O ATOM 0 H SER A 51 -1.927 6.985 8.237 1.00 0.00 H new ATOM 0 HA SER A 51 0.184 5.350 8.971 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.229 4.820 7.224 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.093 3.570 7.688 1.00 0.00 H new ATOM 0 HG SER A 51 -2.867 3.736 9.166 1.00 0.00 H new ATOM 794 N VAL A 52 0.017 5.912 5.672 1.00 0.00 N ATOM 795 CA VAL A 52 0.830 5.865 4.467 1.00 0.00 C ATOM 796 C VAL A 52 2.051 6.779 4.586 1.00 0.00 C ATOM 797 O VAL A 52 3.100 6.461 4.031 1.00 0.00 O ATOM 798 CB VAL A 52 -0.071 6.198 3.255 1.00 0.00 C ATOM 799 CG1 VAL A 52 0.213 7.575 2.622 1.00 0.00 C ATOM 800 CG2 VAL A 52 0.032 5.055 2.242 1.00 0.00 C ATOM 0 H VAL A 52 -0.919 6.292 5.533 1.00 0.00 H new ATOM 0 HA VAL A 52 1.237 4.864 4.322 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.098 6.283 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.459 7.734 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.054 8.357 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.245 7.610 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.598 5.275 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.067 4.949 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.299 4.126 2.706 1.00 0.00 H new ATOM 810 N SER A 53 1.917 7.890 5.313 1.00 0.00 N ATOM 811 CA SER A 53 2.977 8.850 5.553 1.00 0.00 C ATOM 812 C SER A 53 4.136 8.151 6.264 1.00 0.00 C ATOM 813 O SER A 53 5.288 8.292 5.847 1.00 0.00 O ATOM 814 CB SER A 53 2.380 10.001 6.375 1.00 0.00 C ATOM 815 OG SER A 53 2.810 11.277 5.936 1.00 0.00 O ATOM 0 H SER A 53 1.038 8.147 5.761 1.00 0.00 H new ATOM 0 HA SER A 53 3.379 9.260 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.292 9.952 6.321 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.654 9.872 7.422 1.00 0.00 H new ATOM 0 HG SER A 53 2.398 11.970 6.493 1.00 0.00 H new ATOM 821 N ASP A 54 3.822 7.372 7.301 1.00 0.00 N ATOM 822 CA ASP A 54 4.792 6.530 7.979 1.00 0.00 C ATOM 823 C ASP A 54 5.224 5.396 7.058 1.00 0.00 C ATOM 824 O ASP A 54 6.404 5.093 7.006 1.00 0.00 O ATOM 825 CB ASP A 54 4.218 5.948 9.278 1.00 0.00 C ATOM 826 CG ASP A 54 4.066 6.972 10.396 1.00 0.00 C ATOM 827 OD1 ASP A 54 4.944 7.849 10.564 1.00 0.00 O ATOM 828 OD2 ASP A 54 3.075 6.881 11.158 1.00 0.00 O ATOM 0 H ASP A 54 2.881 7.312 7.691 1.00 0.00 H new ATOM 0 HA ASP A 54 5.653 7.148 8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.244 5.506 9.068 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.866 5.142 9.622 1.00 0.00 H new ATOM 833 N MET A 55 4.307 4.776 6.315 1.00 0.00 N ATOM 834 CA MET A 55 4.568 3.580 5.519 1.00 0.00 C ATOM 835 C MET A 55 5.647 3.837 4.473 1.00 0.00 C ATOM 836 O MET A 55 6.612 3.086 4.377 1.00 0.00 O ATOM 837 CB MET A 55 3.260 3.096 4.872 1.00 0.00 C ATOM 838 CG MET A 55 3.274 1.593 4.632 1.00 0.00 C ATOM 839 SD MET A 55 1.640 0.831 4.381 1.00 0.00 S ATOM 840 CE MET A 55 0.886 1.078 6.017 1.00 0.00 C ATOM 0 H MET A 55 3.342 5.099 6.249 1.00 0.00 H new ATOM 0 HA MET A 55 4.944 2.795 6.175 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.419 3.354 5.515 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.109 3.614 3.925 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.891 1.387 3.757 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.755 1.110 5.483 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.015 0.430 6.118 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.612 0.833 6.793 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.579 2.118 6.123 1.00 0.00 H new ATOM 850 N LEU A 56 5.484 4.905 3.697 1.00 0.00 N ATOM 851 CA LEU A 56 6.441 5.362 2.705 1.00 0.00 C ATOM 852 C LEU A 56 7.776 5.805 3.306 1.00 0.00 C ATOM 853 O LEU A 56 8.796 5.686 2.628 1.00 0.00 O ATOM 854 CB LEU A 56 5.798 6.508 1.901 1.00 0.00 C ATOM 855 CG LEU A 56 4.872 6.043 0.758 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.406 7.260 -0.050 1.00 0.00 C ATOM 857 CD2 LEU A 56 5.571 5.047 -0.183 1.00 0.00 C ATOM 0 H LEU A 56 4.652 5.493 3.747 1.00 0.00 H new ATOM 0 HA LEU A 56 6.680 4.520 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.226 7.137 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.589 7.130 1.481 1.00 0.00 H new ATOM 0 HG LEU A 56 4.020 5.535 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.752 6.932 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.862 7.943 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.272 7.771 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.882 4.747 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.447 5.519 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.880 4.168 0.382 1.00 0.00 H new ATOM 869 N SER A 57 7.799 6.338 4.529 1.00 0.00 N ATOM 870 CA SER A 57 9.042 6.792 5.141 1.00 0.00 C ATOM 871 C SER A 57 9.778 5.673 5.882 1.00 0.00 C ATOM 872 O SER A 57 11.009 5.657 5.859 1.00 0.00 O ATOM 873 CB SER A 57 8.751 7.981 6.053 1.00 0.00 C ATOM 874 OG SER A 57 8.481 9.111 5.242 1.00 0.00 O ATOM 0 H SER A 57 6.971 6.464 5.111 1.00 0.00 H new ATOM 0 HA SER A 57 9.717 7.109 4.346 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.899 7.765 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.603 8.177 6.705 1.00 0.00 H new ATOM 0 HG SER A 57 8.290 9.885 5.812 1.00 0.00 H new ATOM 880 N ARG A 58 9.053 4.752 6.524 1.00 0.00 N ATOM 881 CA ARG A 58 9.568 3.682 7.369 1.00 0.00 C ATOM 882 C ARG A 58 8.798 2.369 7.109 1.00 0.00 C ATOM 883 O ARG A 58 8.109 1.868 8.009 1.00 0.00 O ATOM 884 CB ARG A 58 9.631 4.154 8.845 1.00 0.00 C ATOM 885 CG ARG A 58 8.330 4.654 9.505 1.00 0.00 C ATOM 886 CD ARG A 58 8.605 5.079 10.955 1.00 0.00 C ATOM 887 NE ARG A 58 7.384 5.101 11.777 1.00 0.00 N ATOM 888 CZ ARG A 58 7.168 5.850 12.865 1.00 0.00 C ATOM 889 NH1 ARG A 58 8.110 6.666 13.325 1.00 0.00 N ATOM 890 NH2 ARG A 58 6.005 5.776 13.500 1.00 0.00 N ATOM 0 H ARG A 58 8.035 4.736 6.461 1.00 0.00 H new ATOM 0 HA ARG A 58 10.599 3.443 7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.012 3.326 9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.366 4.957 8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.927 5.495 8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.577 3.867 9.485 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.327 4.394 11.400 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.060 6.069 10.960 1.00 0.00 H new ATOM 0 HE ARG A 58 6.626 4.483 11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.010 6.727 12.848 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.934 7.232 14.155 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.277 5.149 13.159 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.840 6.346 14.329 1.00 0.00 H new ATOM 904 N PRO A 59 8.925 1.772 5.908 1.00 0.00 N ATOM 905 CA PRO A 59 8.212 0.550 5.527 1.00 0.00 C ATOM 906 C PRO A 59 8.625 -0.649 6.389 1.00 0.00 C ATOM 907 O PRO A 59 9.649 -0.618 7.079 1.00 0.00 O ATOM 908 CB PRO A 59 8.527 0.322 4.043 1.00 0.00 C ATOM 909 CG PRO A 59 9.840 1.065 3.837 1.00 0.00 C ATOM 910 CD PRO A 59 9.753 2.236 4.805 1.00 0.00 C ATOM 0 HA PRO A 59 7.139 0.658 5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.626 -0.739 3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.739 0.715 3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.698 0.429 4.055 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.949 1.405 2.807 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.743 2.530 5.155 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.312 3.110 4.325 1.00 0.00 H new ATOM 918 N LYS A 60 7.833 -1.726 6.352 1.00 0.00 N ATOM 919 CA LYS A 60 8.106 -2.970 7.067 1.00 0.00 C ATOM 920 C LYS A 60 8.616 -4.039 6.101 1.00 0.00 C ATOM 921 O LYS A 60 8.393 -3.930 4.889 1.00 0.00 O ATOM 922 CB LYS A 60 6.834 -3.423 7.815 1.00 0.00 C ATOM 923 CG LYS A 60 6.829 -2.783 9.208 1.00 0.00 C ATOM 924 CD LYS A 60 5.733 -3.338 10.124 1.00 0.00 C ATOM 925 CE LYS A 60 5.709 -2.567 11.454 1.00 0.00 C ATOM 926 NZ LYS A 60 6.851 -2.899 12.328 1.00 0.00 N ATOM 0 H LYS A 60 6.968 -1.754 5.812 1.00 0.00 H new ATOM 0 HA LYS A 60 8.891 -2.806 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.944 -3.127 7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.811 -4.510 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.800 -2.942 9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.697 -1.706 9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.764 -3.259 9.632 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.909 -4.397 10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.714 -1.497 11.248 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.779 -2.786 11.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.784 -2.351 13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.835 -3.915 12.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.740 -2.665 11.842 1.00 0.00 H new ATOM 940 N PRO A 61 9.286 -5.080 6.621 1.00 0.00 N ATOM 941 CA PRO A 61 9.808 -6.157 5.802 1.00 0.00 C ATOM 942 C PRO A 61 8.664 -7.062 5.342 1.00 0.00 C ATOM 943 O PRO A 61 7.649 -7.196 6.039 1.00 0.00 O ATOM 944 CB PRO A 61 10.817 -6.877 6.695 1.00 0.00 C ATOM 945 CG PRO A 61 10.298 -6.650 8.107 1.00 0.00 C ATOM 946 CD PRO A 61 9.593 -5.304 8.029 1.00 0.00 C ATOM 0 HA PRO A 61 10.290 -5.812 4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.872 -7.939 6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.820 -6.470 6.570 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.614 -7.442 8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.111 -6.633 8.833 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.683 -5.307 8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.229 -4.509 8.419 1.00 0.00 H new ATOM 954 N TRP A 62 8.830 -7.702 4.182 1.00 0.00 N ATOM 955 CA TRP A 62 7.761 -8.469 3.552 1.00 0.00 C ATOM 956 C TRP A 62 7.263 -9.579 4.473 1.00 0.00 C ATOM 957 O TRP A 62 6.056 -9.768 4.598 1.00 0.00 O ATOM 958 CB TRP A 62 8.217 -9.051 2.208 1.00 0.00 C ATOM 959 CG TRP A 62 7.111 -9.555 1.329 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.935 -10.841 0.954 1.00 0.00 C ATOM 961 CD2 TRP A 62 6.024 -8.808 0.697 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.911 -10.923 0.031 1.00 0.00 N ATOM 963 CE2 TRP A 62 5.321 -9.695 -0.164 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.552 -7.477 0.758 1.00 0.00 C ATOM 965 CZ2 TRP A 62 4.273 -9.259 -0.980 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.454 -7.046 -0.014 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.829 -7.932 -0.905 1.00 0.00 C ATOM 0 H TRP A 62 9.705 -7.701 3.658 1.00 0.00 H new ATOM 0 HA TRP A 62 6.933 -7.785 3.365 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.771 -8.284 1.666 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.910 -9.870 2.400 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.509 -11.679 1.321 1.00 0.00 H new ATOM 0 HE1 TRP A 62 5.629 -11.781 -0.444 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.045 -6.773 1.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.805 -9.946 -1.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.093 -6.032 0.080 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.013 -7.594 -1.527 1.00 0.00 H new ATOM 978 N SER A 63 8.163 -10.284 5.163 1.00 0.00 N ATOM 979 CA SER A 63 7.791 -11.405 6.015 1.00 0.00 C ATOM 980 C SER A 63 6.980 -10.954 7.243 1.00 0.00 C ATOM 981 O SER A 63 6.255 -11.765 7.817 1.00 0.00 O ATOM 982 CB SER A 63 9.066 -12.158 6.423 1.00 0.00 C ATOM 983 OG SER A 63 8.781 -13.389 7.062 1.00 0.00 O ATOM 0 H SER A 63 9.164 -10.091 5.144 1.00 0.00 H new ATOM 0 HA SER A 63 7.138 -12.075 5.455 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.675 -12.343 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.657 -11.532 7.092 1.00 0.00 H new ATOM 0 HG SER A 63 9.620 -13.835 7.303 1.00 0.00 H new ATOM 989 N LYS A 64 7.078 -9.694 7.693 1.00 0.00 N ATOM 990 CA LYS A 64 6.264 -9.216 8.819 1.00 0.00 C ATOM 991 C LYS A 64 4.835 -8.946 8.379 1.00 0.00 C ATOM 992 O LYS A 64 3.900 -9.190 9.146 1.00 0.00 O ATOM 993 CB LYS A 64 6.874 -7.945 9.436 1.00 0.00 C ATOM 994 CG LYS A 64 7.968 -8.306 10.449 1.00 0.00 C ATOM 995 CD LYS A 64 7.338 -8.712 11.789 1.00 0.00 C ATOM 996 CE LYS A 64 8.223 -9.619 12.655 1.00 0.00 C ATOM 997 NZ LYS A 64 8.339 -11.003 12.141 1.00 0.00 N ATOM 0 H LYS A 64 7.707 -8.994 7.299 1.00 0.00 H new ATOM 0 HA LYS A 64 6.253 -10.000 9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.293 -7.318 8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.094 -7.363 9.927 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.576 -9.124 10.062 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.634 -7.455 10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.100 -7.810 12.353 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.395 -9.223 11.594 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.219 -9.182 12.724 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.818 -9.649 13.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.950 -11.558 12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.395 -11.439 12.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.753 -10.986 11.187 1.00 0.00 H new ATOM 1011 N LEU A 65 4.671 -8.402 7.178 1.00 0.00 N ATOM 1012 CA LEU A 65 3.376 -8.065 6.621 1.00 0.00 C ATOM 1013 C LEU A 65 2.735 -9.375 6.198 1.00 0.00 C ATOM 1014 O LEU A 65 3.326 -10.101 5.409 1.00 0.00 O ATOM 1015 CB LEU A 65 3.564 -7.156 5.393 1.00 0.00 C ATOM 1016 CG LEU A 65 4.262 -5.814 5.671 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.599 -5.141 4.340 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.367 -4.908 6.522 1.00 0.00 C ATOM 0 H LEU A 65 5.450 -8.181 6.558 1.00 0.00 H new ATOM 0 HA LEU A 65 2.755 -7.537 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.141 -7.699 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.585 -6.955 4.957 1.00 0.00 H new ATOM 0 HG LEU A 65 5.182 -5.993 6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.094 -4.189 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.262 -5.786 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.682 -4.968 3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.878 -3.963 6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.434 -4.718 5.992 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.152 -5.398 7.472 1.00 0.00 H new ATOM 1030 N THR A 66 1.530 -9.669 6.672 1.00 0.00 N ATOM 1031 CA THR A 66 0.706 -10.712 6.066 1.00 0.00 C ATOM 1032 C THR A 66 -0.281 -10.086 5.088 1.00 0.00 C ATOM 1033 O THR A 66 -0.262 -8.872 4.908 1.00 0.00 O ATOM 1034 CB THR A 66 0.081 -11.596 7.143 1.00 0.00 C ATOM 1035 OG1 THR A 66 -0.353 -12.823 6.598 1.00 0.00 O ATOM 1036 CG2 THR A 66 -1.108 -10.889 7.767 1.00 0.00 C ATOM 0 H THR A 66 1.101 -9.203 7.471 1.00 0.00 H new ATOM 0 HA THR A 66 1.318 -11.390 5.472 1.00 0.00 H new ATOM 0 HB THR A 66 0.840 -11.791 7.900 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.748 -13.374 7.306 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.548 -11.526 8.534 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.779 -9.953 8.218 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.852 -10.680 6.998 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.160 -10.904 4.512 1.00 0.00 N ATOM 1045 CA GLN A 67 -2.180 -10.578 3.515 1.00 0.00 C ATOM 1046 C GLN A 67 -2.740 -9.153 3.656 1.00 0.00 C ATOM 1047 O GLN A 67 -2.385 -8.298 2.847 1.00 0.00 O ATOM 1048 CB GLN A 67 -3.296 -11.637 3.595 1.00 0.00 C ATOM 1049 CG GLN A 67 -2.868 -13.016 3.079 1.00 0.00 C ATOM 1050 CD GLN A 67 -2.832 -13.042 1.558 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -3.853 -13.568 0.894 1.00 0.00 O flip ATOM 1052 NE2 GLN A 67 -1.867 -12.595 0.954 1.00 0.00 N flip ATOM 0 H GLN A 67 -1.179 -11.896 4.750 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.713 -10.598 2.530 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.624 -11.731 4.630 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.155 -11.293 3.019 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.883 -13.267 3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.560 -13.775 3.443 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.085 -12.192 1.470 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.844 -12.625 -0.065 1.00 0.00 H new ATOM 1061 N LYS A 68 -3.496 -8.830 4.716 1.00 0.00 N ATOM 1062 CA LYS A 68 -4.060 -7.493 4.898 1.00 0.00 C ATOM 1063 C LYS A 68 -2.982 -6.423 5.049 1.00 0.00 C ATOM 1064 O LYS A 68 -3.151 -5.318 4.544 1.00 0.00 O ATOM 1065 CB LYS A 68 -5.007 -7.486 6.108 1.00 0.00 C ATOM 1066 CG LYS A 68 -6.437 -7.912 5.741 1.00 0.00 C ATOM 1067 CD LYS A 68 -6.948 -9.121 6.531 1.00 0.00 C ATOM 1068 CE LYS A 68 -8.172 -9.690 5.810 1.00 0.00 C ATOM 1069 NZ LYS A 68 -8.943 -10.625 6.651 1.00 0.00 N ATOM 0 H LYS A 68 -3.729 -9.485 5.462 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.622 -7.246 3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.617 -8.157 6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.030 -6.486 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.110 -7.071 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.474 -8.144 4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.169 -9.879 6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.210 -8.826 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.819 -8.870 5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.849 -10.204 4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.760 -10.981 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.337 -11.423 6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.276 -10.131 7.503 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.852 -6.743 5.684 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.756 -5.794 5.805 1.00 0.00 C ATOM 1085 C GLY A 69 -0.099 -5.505 4.454 1.00 0.00 C ATOM 1086 O GLY A 69 0.433 -4.407 4.274 1.00 0.00 O ATOM 0 H GLY A 69 -1.678 -7.649 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.127 -4.864 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.009 -6.188 6.495 1.00 0.00 H new ATOM 1090 N ARG A 70 -0.110 -6.473 3.528 1.00 0.00 N ATOM 1091 CA ARG A 70 0.434 -6.376 2.182 1.00 0.00 C ATOM 1092 C ARG A 70 -0.566 -5.774 1.210 1.00 0.00 C ATOM 1093 O ARG A 70 -0.108 -5.150 0.270 1.00 0.00 O ATOM 1094 CB ARG A 70 0.830 -7.763 1.652 1.00 0.00 C ATOM 1095 CG ARG A 70 1.977 -8.414 2.427 1.00 0.00 C ATOM 1096 CD ARG A 70 2.166 -9.853 1.959 1.00 0.00 C ATOM 1097 NE ARG A 70 3.266 -10.477 2.693 1.00 0.00 N ATOM 1098 CZ ARG A 70 3.788 -11.697 2.566 1.00 0.00 C ATOM 1099 NH1 ARG A 70 3.339 -12.577 1.677 1.00 0.00 N ATOM 1100 NH2 ARG A 70 4.774 -12.002 3.394 1.00 0.00 N ATOM 0 H ARG A 70 -0.521 -7.388 3.714 1.00 0.00 H new ATOM 0 HA ARG A 70 1.309 -5.729 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.040 -8.418 1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.116 -7.673 0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.897 -7.849 2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.763 -8.395 3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.247 -10.418 2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.375 -9.872 0.889 1.00 0.00 H new ATOM 0 HE ARG A 70 3.698 -9.892 3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.566 -12.329 1.059 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.767 -13.501 1.613 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.094 -11.318 4.080 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.214 -12.921 3.346 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.881 -5.882 1.409 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.902 -5.321 0.525 1.00 0.00 C ATOM 1116 C GLU A 71 -2.584 -3.884 0.054 1.00 0.00 C ATOM 1117 O GLU A 71 -2.613 -3.636 -1.153 1.00 0.00 O ATOM 1118 CB GLU A 71 -4.290 -5.417 1.181 1.00 0.00 C ATOM 1119 CG GLU A 71 -4.961 -6.792 0.995 1.00 0.00 C ATOM 1120 CD GLU A 71 -6.464 -6.767 1.290 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -7.197 -6.039 0.585 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -6.944 -7.500 2.189 1.00 0.00 O ATOM 0 H GLU A 71 -2.274 -6.375 2.211 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.904 -5.925 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.195 -5.208 2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.936 -4.646 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.802 -7.133 -0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.479 -7.517 1.651 1.00 0.00 H new ATOM 1129 N PRO A 72 -2.230 -2.929 0.934 1.00 0.00 N ATOM 1130 CA PRO A 72 -1.801 -1.607 0.492 1.00 0.00 C ATOM 1131 C PRO A 72 -0.476 -1.650 -0.283 1.00 0.00 C ATOM 1132 O PRO A 72 -0.380 -1.029 -1.335 1.00 0.00 O ATOM 1133 CB PRO A 72 -1.717 -0.758 1.759 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.507 -1.776 2.879 1.00 0.00 C ATOM 1135 CD PRO A 72 -2.273 -2.998 2.388 1.00 0.00 C ATOM 0 HA PRO A 72 -2.507 -1.178 -0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.893 -0.047 1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.628 -0.180 1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.450 -1.997 3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.895 -1.413 3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.816 -3.919 2.750 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.301 -2.988 2.751 1.00 0.00 H new ATOM 1143 N PHE A 73 0.538 -2.385 0.183 1.00 0.00 N ATOM 1144 CA PHE A 73 1.812 -2.521 -0.524 1.00 0.00 C ATOM 1145 C PHE A 73 1.618 -3.099 -1.932 1.00 0.00 C ATOM 1146 O PHE A 73 2.290 -2.672 -2.860 1.00 0.00 O ATOM 1147 CB PHE A 73 2.785 -3.399 0.279 1.00 0.00 C ATOM 1148 CG PHE A 73 3.462 -2.710 1.449 1.00 0.00 C ATOM 1149 CD1 PHE A 73 2.816 -2.558 2.690 1.00 0.00 C ATOM 1150 CD2 PHE A 73 4.771 -2.223 1.293 1.00 0.00 C ATOM 1151 CE1 PHE A 73 3.477 -1.914 3.756 1.00 0.00 C ATOM 1152 CE2 PHE A 73 5.428 -1.587 2.360 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.778 -1.412 3.587 1.00 0.00 C ATOM 0 H PHE A 73 0.497 -2.902 1.061 1.00 0.00 H new ATOM 0 HA PHE A 73 2.237 -1.523 -0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.242 -4.266 0.654 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.554 -3.772 -0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.813 -2.935 2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.276 -2.338 0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.980 -1.806 4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.440 -1.231 2.233 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.272 -0.896 4.397 1.00 0.00 H new ATOM 1163 N ILE A 74 0.696 -4.037 -2.105 1.00 0.00 N ATOM 1164 CA ILE A 74 0.333 -4.663 -3.365 1.00 0.00 C ATOM 1165 C ILE A 74 -0.256 -3.615 -4.303 1.00 0.00 C ATOM 1166 O ILE A 74 0.143 -3.532 -5.464 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.634 -5.819 -3.051 1.00 0.00 C ATOM 1168 CG1 ILE A 74 0.155 -6.988 -2.423 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.439 -6.286 -4.266 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -0.767 -7.992 -1.730 1.00 0.00 C ATOM 0 H ILE A 74 0.151 -4.401 -1.323 1.00 0.00 H new ATOM 0 HA ILE A 74 1.198 -5.079 -3.881 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.371 -5.445 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.728 -7.497 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.872 -6.596 -1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.100 -7.102 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.034 -5.457 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.757 -6.632 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.171 -8.798 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.321 -7.490 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.467 -8.405 -2.456 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.190 -2.785 -3.827 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.706 -1.693 -4.622 1.00 0.00 C ATOM 1184 C ARG A 75 -0.572 -0.732 -4.969 1.00 0.00 C ATOM 1185 O ARG A 75 -0.530 -0.286 -6.108 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.867 -1.045 -3.857 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.111 -1.946 -3.896 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.371 -1.265 -3.320 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.497 -2.212 -3.198 1.00 0.00 N ATOM 1190 CZ ARG A 75 -7.014 -2.936 -4.199 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -6.819 -2.587 -5.464 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -7.704 -4.038 -3.957 1.00 0.00 N ATOM 0 H ARG A 75 -1.597 -2.858 -2.894 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.104 -2.038 -5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.573 -0.866 -2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.101 -0.074 -4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.305 -2.243 -4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.909 -2.858 -3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.142 -0.844 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.662 -0.435 -3.963 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.916 -2.324 -2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.269 -1.757 -5.685 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.219 -3.149 -6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.849 -4.348 -2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.091 -4.578 -4.731 1.00 0.00 H new ATOM 1206 N MET A 76 0.376 -0.472 -4.061 1.00 0.00 N ATOM 1207 CA MET A 76 1.597 0.274 -4.345 1.00 0.00 C ATOM 1208 C MET A 76 2.377 -0.344 -5.524 1.00 0.00 C ATOM 1209 O MET A 76 2.815 0.384 -6.414 1.00 0.00 O ATOM 1210 CB MET A 76 2.444 0.314 -3.055 1.00 0.00 C ATOM 1211 CG MET A 76 2.941 1.698 -2.693 1.00 0.00 C ATOM 1212 SD MET A 76 4.277 1.736 -1.460 1.00 0.00 S ATOM 1213 CE MET A 76 3.342 1.592 0.073 1.00 0.00 C ATOM 0 H MET A 76 0.310 -0.782 -3.092 1.00 0.00 H new ATOM 0 HA MET A 76 1.348 1.290 -4.650 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.849 -0.076 -2.229 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.300 -0.350 -3.173 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.290 2.191 -3.600 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.102 2.282 -2.315 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.028 1.601 0.920 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.650 2.430 0.157 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.781 0.657 0.071 1.00 0.00 H new ATOM 1223 N GLN A 77 2.556 -1.671 -5.530 1.00 0.00 N ATOM 1224 CA GLN A 77 3.344 -2.412 -6.522 1.00 0.00 C ATOM 1225 C GLN A 77 2.693 -2.372 -7.894 1.00 0.00 C ATOM 1226 O GLN A 77 3.385 -2.193 -8.895 1.00 0.00 O ATOM 1227 CB GLN A 77 3.482 -3.887 -6.108 1.00 0.00 C ATOM 1228 CG GLN A 77 4.378 -4.043 -4.882 1.00 0.00 C ATOM 1229 CD GLN A 77 3.998 -5.191 -3.947 1.00 0.00 C ATOM 1230 OE1 GLN A 77 3.466 -6.223 -4.330 1.00 0.00 O ATOM 1231 NE2 GLN A 77 4.292 -5.044 -2.666 1.00 0.00 N ATOM 0 H GLN A 77 2.143 -2.278 -4.822 1.00 0.00 H new ATOM 0 HA GLN A 77 4.323 -1.934 -6.569 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.496 -4.300 -5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.895 -4.462 -6.937 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.404 -4.192 -5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.359 -3.112 -4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.736 -4.186 -2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.075 -5.789 -2.004 1.00 0.00 H new ATOM 1240 N LEU A 78 1.376 -2.564 -7.946 1.00 0.00 N ATOM 1241 CA LEU A 78 0.623 -2.519 -9.189 1.00 0.00 C ATOM 1242 C LEU A 78 0.582 -1.096 -9.705 1.00 0.00 C ATOM 1243 O LEU A 78 0.974 -0.882 -10.847 1.00 0.00 O ATOM 1244 CB LEU A 78 -0.784 -3.110 -8.977 1.00 0.00 C ATOM 1245 CG LEU A 78 -0.747 -4.655 -9.021 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -1.972 -5.270 -8.339 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -0.658 -5.187 -10.459 1.00 0.00 C ATOM 0 H LEU A 78 0.804 -2.755 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 78 1.114 -3.130 -9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.181 -2.779 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.459 -2.737 -9.747 1.00 0.00 H new ATOM 0 HG LEU A 78 0.151 -4.950 -8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.910 -6.357 -8.390 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.003 -4.957 -7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.877 -4.934 -8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.634 -6.277 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.526 -4.851 -11.026 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.250 -4.811 -10.930 1.00 0.00 H new ATOM 1259 N TRP A 79 0.198 -0.124 -8.874 1.00 0.00 N ATOM 1260 CA TRP A 79 0.123 1.291 -9.226 1.00 0.00 C ATOM 1261 C TRP A 79 1.375 1.787 -9.950 1.00 0.00 C ATOM 1262 O TRP A 79 1.258 2.613 -10.855 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.154 2.112 -7.956 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.125 3.594 -8.145 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.185 4.384 -8.429 1.00 0.00 C ATOM 1266 CD2 TRP A 79 1.044 4.467 -8.151 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.748 5.677 -8.631 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.621 5.771 -8.534 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.426 4.275 -7.926 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.527 6.817 -8.746 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.344 5.324 -8.119 1.00 0.00 C ATOM 1272 CH2 TRP A 79 2.897 6.589 -8.546 1.00 0.00 C ATOM 0 H TRP A 79 -0.077 -0.308 -7.909 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.697 1.423 -9.932 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.131 1.830 -7.565 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.583 1.843 -7.199 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.212 4.055 -8.488 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.364 6.466 -8.828 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.783 3.309 -7.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.175 7.789 -9.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.396 5.158 -7.939 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.608 7.383 -8.719 1.00 0.00 H new ATOM 1283 N LEU A 80 2.554 1.267 -9.601 1.00 0.00 N ATOM 1284 CA LEU A 80 3.817 1.636 -10.230 1.00 0.00 C ATOM 1285 C LEU A 80 3.796 1.479 -11.752 1.00 0.00 C ATOM 1286 O LEU A 80 4.427 2.295 -12.429 1.00 0.00 O ATOM 1287 CB LEU A 80 4.970 0.813 -9.627 1.00 0.00 C ATOM 1288 CG LEU A 80 5.764 1.626 -8.591 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.551 0.685 -7.689 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.762 2.594 -9.232 1.00 0.00 C ATOM 0 H LEU A 80 2.656 0.569 -8.864 1.00 0.00 H new ATOM 0 HA LEU A 80 3.973 2.695 -10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.570 -0.085 -9.156 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.639 0.485 -10.423 1.00 0.00 H new ATOM 0 HG LEU A 80 5.031 2.204 -8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.112 1.267 -6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.863 0.017 -7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.243 0.097 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.292 3.140 -8.451 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.478 2.033 -9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.227 3.299 -9.868 1.00 0.00 H new ATOM 1302 N SER A 81 3.192 0.411 -12.291 1.00 0.00 N ATOM 1303 CA SER A 81 2.917 0.301 -13.727 1.00 0.00 C ATOM 1304 C SER A 81 1.482 0.690 -14.116 1.00 0.00 C ATOM 1305 O SER A 81 1.259 1.356 -15.126 1.00 0.00 O ATOM 1306 CB SER A 81 3.323 -1.091 -14.210 1.00 0.00 C ATOM 1307 OG SER A 81 3.983 -1.005 -15.461 1.00 0.00 O ATOM 0 H SER A 81 2.883 -0.395 -11.747 1.00 0.00 H new ATOM 0 HA SER A 81 3.526 1.040 -14.247 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.979 -1.561 -13.477 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.440 -1.724 -14.300 1.00 0.00 H new ATOM 0 HG SER A 81 4.239 -1.903 -15.758 1.00 0.00 H new ATOM 1313 N ASP A 82 0.504 0.195 -13.354 1.00 0.00 N ATOM 1314 CA ASP A 82 -0.936 0.225 -13.627 1.00 0.00 C ATOM 1315 C ASP A 82 -1.460 1.662 -13.632 1.00 0.00 C ATOM 1316 O ASP A 82 -2.339 2.006 -14.423 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.636 -0.604 -12.525 1.00 0.00 C ATOM 1318 CG ASP A 82 -3.152 -0.816 -12.641 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -3.847 -0.113 -13.408 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -3.661 -1.676 -11.884 1.00 0.00 O ATOM 0 H ASP A 82 0.711 -0.269 -12.470 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.142 -0.196 -14.611 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.162 -1.585 -12.493 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.438 -0.123 -11.567 1.00 0.00 H new ATOM 1325 N GLN A 83 -0.918 2.507 -12.750 1.00 0.00 N ATOM 1326 CA GLN A 83 -1.446 3.781 -12.273 1.00 0.00 C ATOM 1327 C GLN A 83 -2.826 3.674 -11.609 1.00 0.00 C ATOM 1328 O GLN A 83 -3.188 4.603 -10.890 1.00 0.00 O ATOM 1329 CB GLN A 83 -1.462 4.830 -13.393 1.00 0.00 C ATOM 1330 CG GLN A 83 -0.099 5.104 -14.037 1.00 0.00 C ATOM 1331 CD GLN A 83 -0.275 5.948 -15.294 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -0.338 7.175 -15.248 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -0.388 5.314 -16.447 1.00 0.00 N ATOM 0 H GLN A 83 -0.020 2.295 -12.316 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.760 4.106 -11.491 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.155 4.503 -14.168 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.852 5.765 -12.990 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.549 5.622 -13.330 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.390 4.162 -14.287 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.335 4.296 -16.477 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.529 5.843 -17.308 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.562 2.560 -11.765 1.00 0.00 N ATOM 1343 CA LEU A 84 -4.997 2.423 -11.570 1.00 0.00 C ATOM 1344 C LEU A 84 -5.737 3.509 -12.340 1.00 0.00 C ATOM 1345 O LEU A 84 -5.713 4.683 -11.970 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.370 2.402 -10.102 1.00 0.00 C ATOM 1347 CG LEU A 84 -4.840 1.134 -9.407 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.508 1.353 -8.692 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.851 0.646 -8.389 1.00 0.00 C ATOM 0 H LEU A 84 -3.132 1.680 -12.049 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.307 1.458 -11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.965 3.286 -9.609 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.454 2.449 -10.000 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.681 0.397 -10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.189 0.422 -8.223 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.756 1.672 -9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.627 2.122 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.471 -0.251 -7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.019 1.422 -7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.791 0.415 -8.891 1.00 0.00 H new