USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=18 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 162:sc= 1.23 USER MOD Single : A 23 THR OG1 : rot -91:sc= 0.203 USER MOD Single : A 25 GLN : amide:sc= -0.0211 K(o=-0.021,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.941 (180deg=0.867) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 1.16 (180deg=1.12) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 36 CYS SG : rot 180:sc= 0.0126 USER MOD Single : A 37 GLN : amide:sc= -0.213 K(o=-0.21,f=-2.8!) USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0789) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 49 GLN : amide:sc= -0.0727 X(o=-0.073,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -175:sc= 0 (180deg=-0.00597) 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= 0.0268 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.666 K(o=0.67,f=-5.1!) 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 :FLIP amide:sc= -0.0902 F(o=-0.8,f=-0.09) 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 -2.897 -9.238 -8.626 1.00 0.00 N ATOM 84 CA TYR A 9 -2.383 -9.484 -7.288 1.00 0.00 C ATOM 85 C TYR A 9 -2.398 -10.948 -6.876 1.00 0.00 C ATOM 86 O TYR A 9 -1.564 -11.361 -6.073 1.00 0.00 O ATOM 87 CB TYR A 9 -3.145 -8.647 -6.258 1.00 0.00 C ATOM 88 CG TYR A 9 -4.650 -8.773 -6.356 1.00 0.00 C ATOM 89 CD1 TYR A 9 -5.330 -9.857 -5.766 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.360 -7.827 -7.113 1.00 0.00 C ATOM 91 CE1 TYR A 9 -6.719 -9.999 -5.941 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.740 -7.970 -7.300 1.00 0.00 C ATOM 93 CZ TYR A 9 -7.429 -9.055 -6.718 1.00 0.00 C ATOM 94 OH TYR A 9 -8.763 -9.201 -6.925 1.00 0.00 O ATOM 0 HA TYR A 9 -1.335 -9.184 -7.317 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.830 -8.945 -5.258 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.869 -7.600 -6.380 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.784 -10.580 -5.178 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.841 -6.988 -7.552 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -7.241 -10.826 -5.483 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.280 -7.246 -7.893 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.091 -8.463 -7.480 1.00 0.00 H new ATOM 104 N GLU A 10 -3.315 -11.744 -7.417 1.00 0.00 N ATOM 105 CA GLU A 10 -3.436 -13.146 -7.111 1.00 0.00 C ATOM 106 C GLU A 10 -2.173 -13.919 -7.502 1.00 0.00 C ATOM 107 O GLU A 10 -1.758 -14.838 -6.793 1.00 0.00 O ATOM 108 CB GLU A 10 -4.660 -13.675 -7.855 1.00 0.00 C ATOM 109 CG GLU A 10 -5.037 -14.996 -7.204 1.00 0.00 C ATOM 110 CD GLU A 10 -6.185 -15.688 -7.919 1.00 0.00 C ATOM 111 OE1 GLU A 10 -5.990 -16.046 -9.102 1.00 0.00 O ATOM 112 OE2 GLU A 10 -7.221 -15.918 -7.254 1.00 0.00 O ATOM 0 H GLU A 10 -4.004 -11.415 -8.093 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.556 -13.284 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.485 -12.965 -7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.438 -13.816 -8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.168 -15.654 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.314 -14.820 -6.165 1.00 0.00 H new ATOM 119 N LEU A 11 -1.530 -13.543 -8.610 1.00 0.00 N ATOM 120 CA LEU A 11 -0.262 -14.134 -9.029 1.00 0.00 C ATOM 121 C LEU A 11 0.859 -13.708 -8.076 1.00 0.00 C ATOM 122 O LEU A 11 1.858 -14.408 -7.905 1.00 0.00 O ATOM 123 CB LEU A 11 -0.009 -13.714 -10.491 1.00 0.00 C ATOM 124 CG LEU A 11 1.113 -14.434 -11.261 1.00 0.00 C ATOM 125 CD1 LEU A 11 2.487 -13.774 -11.173 1.00 0.00 C ATOM 126 CD2 LEU A 11 1.281 -15.895 -10.875 1.00 0.00 C ATOM 0 H LEU A 11 -1.876 -12.820 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.293 -15.223 -8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.938 -13.853 -11.045 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.211 -12.646 -10.500 1.00 0.00 H new ATOM 0 HG LEU A 11 0.757 -14.357 -12.288 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.208 -14.356 -11.747 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.432 -12.763 -11.578 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.804 -13.731 -10.131 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.089 -16.335 -11.459 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.520 -15.966 -9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.354 -16.433 -11.075 1.00 0.00 H new ATOM 138 N TYR A 12 0.690 -12.573 -7.403 1.00 0.00 N ATOM 139 CA TYR A 12 1.689 -11.967 -6.538 1.00 0.00 C ATOM 140 C TYR A 12 1.477 -12.396 -5.082 1.00 0.00 C ATOM 141 O TYR A 12 2.198 -11.918 -4.207 1.00 0.00 O ATOM 142 CB TYR A 12 1.674 -10.433 -6.698 1.00 0.00 C ATOM 143 CG TYR A 12 1.588 -9.881 -8.118 1.00 0.00 C ATOM 144 CD1 TYR A 12 1.959 -10.659 -9.233 1.00 0.00 C ATOM 145 CD2 TYR A 12 1.088 -8.583 -8.332 1.00 0.00 C ATOM 146 CE1 TYR A 12 1.705 -10.220 -10.539 1.00 0.00 C ATOM 147 CE2 TYR A 12 0.915 -8.094 -9.639 1.00 0.00 C ATOM 148 CZ TYR A 12 1.193 -8.922 -10.750 1.00 0.00 C ATOM 149 OH TYR A 12 0.971 -8.472 -12.013 1.00 0.00 O ATOM 0 H TYR A 12 -0.175 -12.035 -7.449 1.00 0.00 H new ATOM 0 HA TYR A 12 2.677 -12.319 -6.835 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.828 -10.043 -6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.578 -10.036 -6.235 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.447 -11.610 -9.078 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.836 -7.959 -7.487 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.900 -10.871 -11.379 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.569 -7.083 -9.794 1.00 0.00 H new ATOM 0 HH TYR A 12 0.617 -7.559 -11.977 1.00 0.00 H new ATOM 159 N MET A 13 0.534 -13.300 -4.788 1.00 0.00 N ATOM 160 CA MET A 13 0.196 -13.765 -3.436 1.00 0.00 C ATOM 161 C MET A 13 1.320 -14.520 -2.721 1.00 0.00 C ATOM 162 O MET A 13 1.159 -14.852 -1.545 1.00 0.00 O ATOM 163 CB MET A 13 -1.074 -14.638 -3.468 1.00 0.00 C ATOM 164 CG MET A 13 -2.315 -13.750 -3.529 1.00 0.00 C ATOM 165 SD MET A 13 -2.560 -12.742 -2.031 1.00 0.00 S ATOM 166 CE MET A 13 -3.317 -11.277 -2.776 1.00 0.00 C ATOM 0 H MET A 13 -0.034 -13.743 -5.510 1.00 0.00 H new ATOM 0 HA MET A 13 0.025 -12.858 -2.857 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.048 -15.301 -4.333 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.113 -15.271 -2.582 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.238 -13.090 -4.393 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.193 -14.377 -3.684 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.537 -10.546 -1.998 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.629 -10.841 -3.500 1.00 0.00 H new ATOM 0 HE3 MET A 13 -4.241 -11.561 -3.279 1.00 0.00 H new ATOM 176 N TYR A 14 2.450 -14.768 -3.379 1.00 0.00 N ATOM 177 CA TYR A 14 3.581 -15.508 -2.871 1.00 0.00 C ATOM 178 C TYR A 14 4.784 -14.571 -3.067 1.00 0.00 C ATOM 179 O TYR A 14 4.689 -13.377 -2.772 1.00 0.00 O ATOM 180 CB TYR A 14 3.629 -16.899 -3.562 1.00 0.00 C ATOM 181 CG TYR A 14 2.312 -17.379 -4.157 1.00 0.00 C ATOM 182 CD1 TYR A 14 1.945 -16.990 -5.464 1.00 0.00 C ATOM 183 CD2 TYR A 14 1.417 -18.138 -3.381 1.00 0.00 C ATOM 184 CE1 TYR A 14 0.690 -17.347 -5.985 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.161 -18.497 -3.899 1.00 0.00 C ATOM 186 CZ TYR A 14 -0.210 -18.107 -5.206 1.00 0.00 C ATOM 187 OH TYR A 14 -1.435 -18.448 -5.697 1.00 0.00 O ATOM 0 H TYR A 14 2.600 -14.436 -4.332 1.00 0.00 H new ATOM 0 HA TYR A 14 3.547 -15.768 -1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.376 -16.866 -4.355 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.969 -17.636 -2.834 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.633 -16.415 -6.066 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.696 -18.446 -2.384 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.413 -17.040 -6.983 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.524 -19.074 -3.295 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.922 -18.972 -5.027 1.00 0.00 H new ATOM 197 N ARG A 15 5.891 -15.077 -3.610 1.00 0.00 N ATOM 198 CA ARG A 15 7.161 -14.390 -3.863 1.00 0.00 C ATOM 199 C ARG A 15 7.565 -13.489 -2.684 1.00 0.00 C ATOM 200 O ARG A 15 7.218 -13.778 -1.533 1.00 0.00 O ATOM 201 CB ARG A 15 7.103 -13.692 -5.249 1.00 0.00 C ATOM 202 CG ARG A 15 8.303 -14.001 -6.166 1.00 0.00 C ATOM 203 CD ARG A 15 9.671 -13.599 -5.597 1.00 0.00 C ATOM 204 NE ARG A 15 10.772 -14.165 -6.394 1.00 0.00 N ATOM 205 CZ ARG A 15 11.806 -13.500 -6.927 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.825 -12.173 -6.960 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.828 -14.188 -7.427 1.00 0.00 N ATOM 0 H ARG A 15 5.928 -16.052 -3.908 1.00 0.00 H new ATOM 0 HA ARG A 15 7.976 -15.111 -3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.186 -13.993 -5.756 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.044 -12.614 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.314 -15.070 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.156 -13.489 -7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.754 -12.512 -5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.753 -13.942 -4.566 1.00 0.00 H new ATOM 0 HE ARG A 15 10.745 -15.171 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.044 -11.642 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.621 -11.684 -7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.818 -15.208 -7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.622 -13.696 -7.836 1.00 0.00 H new ATOM 221 N GLU A 16 8.347 -12.457 -2.968 1.00 0.00 N ATOM 222 CA GLU A 16 8.690 -11.316 -2.144 1.00 0.00 C ATOM 223 C GLU A 16 8.567 -10.094 -3.053 1.00 0.00 C ATOM 224 O GLU A 16 8.328 -10.229 -4.260 1.00 0.00 O ATOM 225 CB GLU A 16 10.117 -11.427 -1.574 1.00 0.00 C ATOM 226 CG GLU A 16 10.330 -12.465 -0.461 1.00 0.00 C ATOM 227 CD GLU A 16 10.276 -13.933 -0.905 1.00 0.00 C ATOM 228 OE1 GLU A 16 10.751 -14.268 -2.012 1.00 0.00 O ATOM 229 OE2 GLU A 16 9.786 -14.792 -0.127 1.00 0.00 O ATOM 0 H GLU A 16 8.803 -12.397 -3.879 1.00 0.00 H new ATOM 0 HA GLU A 16 8.028 -11.251 -1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.795 -11.662 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.408 -10.449 -1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.299 -12.280 0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.573 -12.308 0.307 1.00 0.00 H new ATOM 236 N VAL A 17 8.721 -8.915 -2.465 1.00 0.00 N ATOM 237 CA VAL A 17 8.950 -7.670 -3.165 1.00 0.00 C ATOM 238 C VAL A 17 9.802 -6.813 -2.231 1.00 0.00 C ATOM 239 O VAL A 17 9.764 -6.983 -1.006 1.00 0.00 O ATOM 240 CB VAL A 17 7.613 -7.012 -3.569 1.00 0.00 C ATOM 241 CG1 VAL A 17 6.650 -6.949 -2.378 1.00 0.00 C ATOM 242 CG2 VAL A 17 7.783 -5.607 -4.169 1.00 0.00 C ATOM 0 H VAL A 17 8.688 -8.801 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 17 9.478 -7.813 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 17 7.194 -7.648 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.716 -6.481 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.448 -7.958 -2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.100 -6.363 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.805 -5.202 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.262 -4.955 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.403 -5.666 -5.064 1.00 0.00 H new ATOM 252 N ASP A 18 10.572 -5.885 -2.787 1.00 0.00 N ATOM 253 CA ASP A 18 11.542 -5.128 -2.024 1.00 0.00 C ATOM 254 C ASP A 18 10.841 -3.923 -1.430 1.00 0.00 C ATOM 255 O ASP A 18 10.849 -2.842 -2.007 1.00 0.00 O ATOM 256 CB ASP A 18 12.723 -4.753 -2.925 1.00 0.00 C ATOM 257 CG ASP A 18 13.515 -6.017 -3.204 1.00 0.00 C ATOM 258 OD1 ASP A 18 14.304 -6.405 -2.309 1.00 0.00 O ATOM 259 OD2 ASP A 18 13.243 -6.708 -4.210 1.00 0.00 O ATOM 0 H ASP A 18 10.538 -5.641 -3.777 1.00 0.00 H new ATOM 0 HA ASP A 18 11.953 -5.715 -1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.368 -4.312 -3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.352 -4.008 -2.439 1.00 0.00 H new ATOM 264 N THR A 19 10.259 -4.081 -0.242 1.00 0.00 N ATOM 265 CA THR A 19 9.372 -3.075 0.336 1.00 0.00 C ATOM 266 C THR A 19 10.055 -1.719 0.546 1.00 0.00 C ATOM 267 O THR A 19 9.372 -0.701 0.561 1.00 0.00 O ATOM 268 CB THR A 19 8.789 -3.595 1.663 1.00 0.00 C ATOM 269 OG1 THR A 19 9.810 -4.102 2.502 1.00 0.00 O ATOM 270 CG2 THR A 19 7.765 -4.711 1.445 1.00 0.00 C ATOM 0 H THR A 19 10.389 -4.906 0.344 1.00 0.00 H new ATOM 0 HA THR A 19 8.569 -2.906 -0.382 1.00 0.00 H new ATOM 0 HB THR A 19 8.299 -2.742 2.131 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.481 -4.153 3.424 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.381 -5.046 2.409 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.942 -4.336 0.837 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.242 -5.547 0.934 1.00 0.00 H new ATOM 278 N LEU A 20 11.383 -1.683 0.699 1.00 0.00 N ATOM 279 CA LEU A 20 12.154 -0.461 0.886 1.00 0.00 C ATOM 280 C LEU A 20 12.402 0.269 -0.432 1.00 0.00 C ATOM 281 O LEU A 20 12.583 1.488 -0.419 1.00 0.00 O ATOM 282 CB LEU A 20 13.503 -0.822 1.539 1.00 0.00 C ATOM 283 CG LEU A 20 13.536 -0.739 3.074 1.00 0.00 C ATOM 284 CD1 LEU A 20 13.374 0.703 3.571 1.00 0.00 C ATOM 285 CD2 LEU A 20 12.494 -1.655 3.732 1.00 0.00 C ATOM 0 H LEU A 20 11.959 -2.524 0.695 1.00 0.00 H new ATOM 0 HA LEU A 20 11.581 0.210 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.772 -1.835 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.270 -0.158 1.140 1.00 0.00 H new ATOM 0 HG LEU A 20 14.522 -1.093 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.403 0.718 4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.185 1.316 3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.419 1.101 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.558 -1.559 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.496 -1.368 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.687 -2.689 3.447 1.00 0.00 H new ATOM 297 N GLU A 21 12.443 -0.465 -1.543 1.00 0.00 N ATOM 298 CA GLU A 21 12.657 0.067 -2.877 1.00 0.00 C ATOM 299 C GLU A 21 11.314 0.436 -3.501 1.00 0.00 C ATOM 300 O GLU A 21 11.190 1.495 -4.106 1.00 0.00 O ATOM 301 CB GLU A 21 13.382 -0.983 -3.714 1.00 0.00 C ATOM 302 CG GLU A 21 13.699 -0.435 -5.103 1.00 0.00 C ATOM 303 CD GLU A 21 14.387 -1.476 -5.971 1.00 0.00 C ATOM 304 OE1 GLU A 21 15.432 -2.013 -5.549 1.00 0.00 O ATOM 305 OE2 GLU A 21 13.902 -1.685 -7.108 1.00 0.00 O ATOM 0 H GLU A 21 12.324 -1.478 -1.533 1.00 0.00 H new ATOM 0 HA GLU A 21 13.269 0.968 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.304 -1.281 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.764 -1.877 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.777 -0.110 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.338 0.443 -5.011 1.00 0.00 H new ATOM 312 N LEU A 22 10.295 -0.399 -3.301 1.00 0.00 N ATOM 313 CA LEU A 22 8.924 -0.162 -3.709 1.00 0.00 C ATOM 314 C LEU A 22 8.479 1.233 -3.274 1.00 0.00 C ATOM 315 O LEU A 22 8.027 2.028 -4.095 1.00 0.00 O ATOM 316 CB LEU A 22 8.043 -1.266 -3.101 1.00 0.00 C ATOM 317 CG LEU A 22 6.539 -0.957 -3.189 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.071 -0.869 -4.631 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.751 -2.042 -2.470 1.00 0.00 C ATOM 0 H LEU A 22 10.415 -1.295 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 22 8.832 -0.198 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.245 -2.207 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.318 -1.407 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 22 6.368 0.009 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.004 -0.649 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.616 -0.076 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.257 -1.819 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.686 -1.821 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.950 -3.006 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.052 -2.077 -1.423 1.00 0.00 H new ATOM 331 N THR A 23 8.603 1.549 -1.984 1.00 0.00 N ATOM 332 CA THR A 23 8.218 2.854 -1.469 1.00 0.00 C ATOM 333 C THR A 23 9.020 3.947 -2.172 1.00 0.00 C ATOM 334 O THR A 23 8.441 4.923 -2.637 1.00 0.00 O ATOM 335 CB THR A 23 8.420 2.881 0.050 1.00 0.00 C ATOM 336 OG1 THR A 23 9.710 2.403 0.360 1.00 0.00 O ATOM 337 CG2 THR A 23 7.378 1.979 0.710 1.00 0.00 C ATOM 0 H THR A 23 8.970 0.912 -1.277 1.00 0.00 H new ATOM 0 HA THR A 23 7.163 3.041 -1.671 1.00 0.00 H new ATOM 0 HB THR A 23 8.311 3.902 0.416 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.674 1.434 0.505 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.516 1.994 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.378 2.340 0.467 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.495 0.959 0.343 1.00 0.00 H new ATOM 345 N ARG A 24 10.341 3.788 -2.266 1.00 0.00 N ATOM 346 CA ARG A 24 11.263 4.695 -2.962 1.00 0.00 C ATOM 347 C ARG A 24 10.767 5.012 -4.375 1.00 0.00 C ATOM 348 O ARG A 24 10.684 6.185 -4.750 1.00 0.00 O ATOM 349 CB ARG A 24 12.664 4.042 -3.011 1.00 0.00 C ATOM 350 CG ARG A 24 13.655 4.676 -2.036 1.00 0.00 C ATOM 351 CD ARG A 24 13.210 4.604 -0.563 1.00 0.00 C ATOM 352 NE ARG A 24 13.305 5.928 0.063 1.00 0.00 N ATOM 353 CZ ARG A 24 14.446 6.570 0.321 1.00 0.00 C ATOM 354 NH1 ARG A 24 15.600 5.915 0.375 1.00 0.00 N ATOM 355 NH2 ARG A 24 14.417 7.881 0.509 1.00 0.00 N ATOM 0 H ARG A 24 10.820 2.993 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 24 11.315 5.638 -2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.571 2.980 -2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.059 4.120 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.620 4.180 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.803 5.720 -2.311 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.185 4.239 -0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.834 3.893 -0.022 1.00 0.00 H new ATOM 0 HE ARG A 24 12.434 6.392 0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.622 4.907 0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.464 6.420 0.573 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.531 8.384 0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.280 8.387 0.707 1.00 0.00 H new ATOM 369 N GLN A 25 10.446 3.981 -5.153 1.00 0.00 N ATOM 370 CA GLN A 25 9.947 4.078 -6.514 1.00 0.00 C ATOM 371 C GLN A 25 8.644 4.865 -6.559 1.00 0.00 C ATOM 372 O GLN A 25 8.525 5.801 -7.355 1.00 0.00 O ATOM 373 CB GLN A 25 9.778 2.665 -7.085 1.00 0.00 C ATOM 374 CG GLN A 25 11.063 2.180 -7.755 1.00 0.00 C ATOM 375 CD GLN A 25 11.188 2.590 -9.229 1.00 0.00 C ATOM 376 OE1 GLN A 25 10.266 3.080 -9.878 1.00 0.00 O ATOM 377 NE2 GLN A 25 12.346 2.363 -9.817 1.00 0.00 N ATOM 0 H GLN A 25 10.532 3.016 -4.834 1.00 0.00 H new ATOM 0 HA GLN A 25 10.664 4.621 -7.130 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.501 1.978 -6.285 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.963 2.658 -7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.918 2.572 -7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.110 1.093 -7.685 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.117 1.957 -9.286 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.471 2.594 -10.803 1.00 0.00 H new ATOM 386 N VAL A 26 7.690 4.507 -5.698 1.00 0.00 N ATOM 387 CA VAL A 26 6.406 5.178 -5.552 1.00 0.00 C ATOM 388 C VAL A 26 6.648 6.663 -5.258 1.00 0.00 C ATOM 389 O VAL A 26 6.130 7.528 -5.960 1.00 0.00 O ATOM 390 CB VAL A 26 5.586 4.447 -4.461 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.319 5.193 -4.032 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.181 3.035 -4.904 1.00 0.00 C ATOM 0 H VAL A 26 7.798 3.715 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 26 5.818 5.137 -6.469 1.00 0.00 H new ATOM 0 HB VAL A 26 6.260 4.400 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.800 4.617 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.590 6.170 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.664 5.324 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.607 2.555 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.572 3.097 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.076 2.448 -5.110 1.00 0.00 H new ATOM 402 N LYS A 27 7.449 6.978 -4.238 1.00 0.00 N ATOM 403 CA LYS A 27 7.716 8.335 -3.768 1.00 0.00 C ATOM 404 C LYS A 27 8.277 9.189 -4.904 1.00 0.00 C ATOM 405 O LYS A 27 7.799 10.313 -5.088 1.00 0.00 O ATOM 406 CB LYS A 27 8.650 8.279 -2.541 1.00 0.00 C ATOM 407 CG LYS A 27 7.946 7.682 -1.303 1.00 0.00 C ATOM 408 CD LYS A 27 8.906 6.967 -0.334 1.00 0.00 C ATOM 409 CE LYS A 27 9.845 7.876 0.446 1.00 0.00 C ATOM 410 NZ LYS A 27 9.176 8.603 1.549 1.00 0.00 N ATOM 0 H LYS A 27 7.946 6.269 -3.699 1.00 0.00 H new ATOM 0 HA LYS A 27 6.789 8.812 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.529 7.681 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.003 9.284 -2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.431 8.480 -0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.184 6.976 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.314 6.389 0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.505 6.256 -0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.660 7.279 0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.291 8.598 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.820 9.325 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.315 9.062 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.923 7.933 2.303 1.00 0.00 H new ATOM 424 N GLU A 28 9.249 8.682 -5.667 1.00 0.00 N ATOM 425 CA GLU A 28 9.771 9.345 -6.855 1.00 0.00 C ATOM 426 C GLU A 28 8.686 9.537 -7.921 1.00 0.00 C ATOM 427 O GLU A 28 8.493 10.661 -8.376 1.00 0.00 O ATOM 428 CB GLU A 28 10.955 8.552 -7.426 1.00 0.00 C ATOM 429 CG GLU A 28 12.304 9.095 -6.941 1.00 0.00 C ATOM 430 CD GLU A 28 13.506 8.374 -7.574 1.00 0.00 C ATOM 431 OE1 GLU A 28 13.472 8.059 -8.787 1.00 0.00 O ATOM 432 OE2 GLU A 28 14.478 8.076 -6.837 1.00 0.00 O ATOM 0 H GLU A 28 9.698 7.788 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 28 10.116 10.336 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.862 7.505 -7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.922 8.587 -8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.364 10.159 -7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.359 8.998 -5.857 1.00 0.00 H new ATOM 439 N LYS A 29 7.972 8.482 -8.338 1.00 0.00 N ATOM 440 CA LYS A 29 6.956 8.604 -9.393 1.00 0.00 C ATOM 441 C LYS A 29 5.891 9.638 -9.014 1.00 0.00 C ATOM 442 O LYS A 29 5.469 10.427 -9.858 1.00 0.00 O ATOM 443 CB LYS A 29 6.369 7.255 -9.767 1.00 0.00 C ATOM 444 CG LYS A 29 5.506 7.445 -11.032 1.00 0.00 C ATOM 445 CD LYS A 29 5.085 6.104 -11.602 1.00 0.00 C ATOM 446 CE LYS A 29 6.153 5.522 -12.533 1.00 0.00 C ATOM 447 NZ LYS A 29 5.660 4.409 -13.375 1.00 0.00 N ATOM 0 H LYS A 29 8.078 7.539 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 29 7.445 8.976 -10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.163 6.532 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.765 6.862 -8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.623 8.036 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.068 8.003 -11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.894 5.406 -10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.149 6.219 -12.149 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.532 6.315 -13.178 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.993 5.169 -11.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.457 3.985 -13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.216 3.688 -12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.960 4.771 -14.054 1.00 0.00 H new ATOM 461 N LEU A 30 5.464 9.647 -7.752 1.00 0.00 N ATOM 462 CA LEU A 30 4.482 10.595 -7.243 1.00 0.00 C ATOM 463 C LEU A 30 5.022 12.016 -7.331 1.00 0.00 C ATOM 464 O LEU A 30 4.318 12.891 -7.823 1.00 0.00 O ATOM 465 CB LEU A 30 4.106 10.242 -5.796 1.00 0.00 C ATOM 466 CG LEU A 30 3.261 8.960 -5.695 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.184 8.520 -4.236 1.00 0.00 C ATOM 468 CD2 LEU A 30 1.843 9.160 -6.220 1.00 0.00 C ATOM 0 H LEU A 30 5.796 8.987 -7.048 1.00 0.00 H new ATOM 0 HA LEU A 30 3.583 10.535 -7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.016 10.119 -5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.553 11.072 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 30 3.745 8.201 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.586 7.612 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.189 8.325 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.722 9.309 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.286 8.228 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.347 9.938 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.882 9.457 -7.268 1.00 0.00 H new ATOM 480 N ALA A 31 6.259 12.248 -6.884 1.00 0.00 N ATOM 481 CA ALA A 31 6.904 13.552 -7.007 1.00 0.00 C ATOM 482 C ALA A 31 6.957 13.993 -8.472 1.00 0.00 C ATOM 483 O ALA A 31 6.513 15.092 -8.792 1.00 0.00 O ATOM 484 CB ALA A 31 8.295 13.510 -6.373 1.00 0.00 C ATOM 0 H ALA A 31 6.836 11.540 -6.430 1.00 0.00 H new ATOM 0 HA ALA A 31 6.314 14.294 -6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.769 14.487 -6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.206 13.252 -5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.903 12.760 -6.879 1.00 0.00 H new ATOM 490 N LYS A 32 7.423 13.119 -9.373 1.00 0.00 N ATOM 491 CA LYS A 32 7.493 13.372 -10.810 1.00 0.00 C ATOM 492 C LYS A 32 6.151 13.859 -11.358 1.00 0.00 C ATOM 493 O LYS A 32 6.118 14.802 -12.150 1.00 0.00 O ATOM 494 CB LYS A 32 7.969 12.092 -11.527 1.00 0.00 C ATOM 495 CG LYS A 32 8.135 12.334 -13.030 1.00 0.00 C ATOM 496 CD LYS A 32 8.628 11.125 -13.830 1.00 0.00 C ATOM 497 CE LYS A 32 10.145 10.949 -13.729 1.00 0.00 C ATOM 498 NZ LYS A 32 10.690 10.263 -14.918 1.00 0.00 N ATOM 0 H LYS A 32 7.769 12.196 -9.112 1.00 0.00 H new ATOM 0 HA LYS A 32 8.212 14.170 -10.997 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.917 11.764 -11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.250 11.290 -11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.177 12.655 -13.439 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.835 13.157 -13.175 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.134 10.224 -13.466 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.346 11.243 -14.876 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.619 11.924 -13.621 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.387 10.376 -12.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.720 10.160 -14.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.255 9.323 -15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.480 10.823 -15.769 1.00 0.00 H new ATOM 512 N ASN A 33 5.057 13.200 -10.975 1.00 0.00 N ATOM 513 CA ASN A 33 3.710 13.494 -11.468 1.00 0.00 C ATOM 514 C ASN A 33 3.037 14.625 -10.672 1.00 0.00 C ATOM 515 O ASN A 33 1.872 14.924 -10.928 1.00 0.00 O ATOM 516 CB ASN A 33 2.849 12.213 -11.485 1.00 0.00 C ATOM 517 CG ASN A 33 3.254 11.271 -12.614 1.00 0.00 C ATOM 518 OD1 ASN A 33 2.647 11.239 -13.681 1.00 0.00 O ATOM 519 ND2 ASN A 33 4.306 10.490 -12.437 1.00 0.00 N ATOM 0 H ASN A 33 5.082 12.434 -10.302 1.00 0.00 H new ATOM 0 HA ASN A 33 3.802 13.853 -12.493 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.946 11.697 -10.530 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.799 12.483 -11.596 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.609 9.866 -13.184 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.814 10.512 -11.553 1.00 0.00 H new ATOM 526 N GLY A 34 3.734 15.259 -9.720 1.00 0.00 N ATOM 527 CA GLY A 34 3.201 16.317 -8.875 1.00 0.00 C ATOM 528 C GLY A 34 2.045 15.796 -8.029 1.00 0.00 C ATOM 529 O GLY A 34 0.896 16.198 -8.227 1.00 0.00 O ATOM 0 H GLY A 34 4.709 15.039 -9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.988 16.704 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.861 17.147 -9.494 1.00 0.00 H new ATOM 533 N ILE A 35 2.332 14.859 -7.120 1.00 0.00 N ATOM 534 CA ILE A 35 1.346 14.209 -6.269 1.00 0.00 C ATOM 535 C ILE A 35 1.871 14.212 -4.833 1.00 0.00 C ATOM 536 O ILE A 35 2.943 13.669 -4.544 1.00 0.00 O ATOM 537 CB ILE A 35 1.008 12.793 -6.777 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.631 12.866 -8.269 1.00 0.00 C ATOM 539 CG2 ILE A 35 -0.154 12.232 -5.935 1.00 0.00 C ATOM 540 CD1 ILE A 35 0.298 11.531 -8.911 1.00 0.00 C ATOM 0 H ILE A 35 3.283 14.527 -6.956 1.00 0.00 H new ATOM 0 HA ILE A 35 0.406 14.760 -6.298 1.00 0.00 H new ATOM 0 HB ILE A 35 1.867 12.130 -6.675 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.226 13.530 -8.380 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.458 13.319 -8.816 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.405 11.230 -6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.144 12.189 -4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.024 12.880 -6.038 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.046 11.685 -9.960 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.160 10.867 -8.838 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.551 11.081 -8.396 1.00 0.00 H new ATOM 552 N CYS A 36 1.096 14.794 -3.919 1.00 0.00 N ATOM 553 CA CYS A 36 1.306 14.681 -2.480 1.00 0.00 C ATOM 554 C CYS A 36 1.057 13.226 -2.051 1.00 0.00 C ATOM 555 O CYS A 36 -0.054 12.715 -2.221 1.00 0.00 O ATOM 556 CB CYS A 36 0.343 15.615 -1.731 1.00 0.00 C ATOM 557 SG CYS A 36 0.447 17.324 -2.328 1.00 0.00 S ATOM 0 H CYS A 36 0.289 15.368 -4.165 1.00 0.00 H new ATOM 0 HA CYS A 36 2.330 14.968 -2.239 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.678 15.252 -1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.570 15.589 -0.665 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.387 18.067 -1.664 1.00 0.00 H new ATOM 563 N GLN A 37 2.054 12.552 -1.467 1.00 0.00 N ATOM 564 CA GLN A 37 1.959 11.141 -1.073 1.00 0.00 C ATOM 565 C GLN A 37 0.776 10.888 -0.123 1.00 0.00 C ATOM 566 O GLN A 37 0.076 9.887 -0.257 1.00 0.00 O ATOM 567 CB GLN A 37 3.258 10.663 -0.399 1.00 0.00 C ATOM 568 CG GLN A 37 4.500 10.549 -1.301 1.00 0.00 C ATOM 569 CD GLN A 37 5.055 11.880 -1.803 1.00 0.00 C ATOM 570 OE1 GLN A 37 4.945 12.913 -1.144 1.00 0.00 O ATOM 571 NE2 GLN A 37 5.645 11.902 -2.985 1.00 0.00 N ATOM 0 H GLN A 37 2.958 12.974 -1.252 1.00 0.00 H new ATOM 0 HA GLN A 37 1.797 10.575 -1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.491 11.348 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.071 9.687 0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.284 10.030 -0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.250 9.928 -2.162 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.733 11.042 -3.527 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.012 12.779 -3.356 1.00 0.00 H new ATOM 580 N ARG A 38 0.517 11.820 0.797 1.00 0.00 N ATOM 581 CA ARG A 38 -0.638 11.823 1.702 1.00 0.00 C ATOM 582 C ARG A 38 -1.982 11.644 1.004 1.00 0.00 C ATOM 583 O ARG A 38 -2.912 11.115 1.607 1.00 0.00 O ATOM 584 CB ARG A 38 -0.673 13.142 2.492 1.00 0.00 C ATOM 585 CG ARG A 38 -0.279 14.378 1.668 1.00 0.00 C ATOM 586 CD ARG A 38 -0.783 15.697 2.254 1.00 0.00 C ATOM 587 NE ARG A 38 -2.190 15.949 1.901 1.00 0.00 N ATOM 588 CZ ARG A 38 -2.761 17.156 1.806 1.00 0.00 C ATOM 589 NH1 ARG A 38 -2.084 18.272 2.064 1.00 0.00 N ATOM 590 NH2 ARG A 38 -4.035 17.262 1.458 1.00 0.00 N ATOM 0 H ARG A 38 1.128 12.624 0.939 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.502 10.962 2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.677 13.289 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.001 13.059 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.807 14.418 1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.669 14.268 0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.678 15.677 3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.164 16.517 1.889 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.778 15.137 1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.104 18.221 2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.545 19.178 1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.582 16.423 1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.469 18.182 1.386 1.00 0.00 H new ATOM 604 N ILE A 39 -2.126 12.167 -0.210 1.00 0.00 N ATOM 605 CA ILE A 39 -3.362 12.085 -0.978 1.00 0.00 C ATOM 606 C ILE A 39 -3.358 10.763 -1.730 1.00 0.00 C ATOM 607 O ILE A 39 -4.380 10.088 -1.773 1.00 0.00 O ATOM 608 CB ILE A 39 -3.481 13.294 -1.933 1.00 0.00 C ATOM 609 CG1 ILE A 39 -3.492 14.609 -1.125 1.00 0.00 C ATOM 610 CG2 ILE A 39 -4.734 13.163 -2.817 1.00 0.00 C ATOM 611 CD1 ILE A 39 -3.485 15.862 -2.001 1.00 0.00 C ATOM 0 H ILE A 39 -1.378 12.665 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.231 12.119 -0.321 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.614 13.312 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.375 14.627 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.623 14.630 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.801 14.023 -3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.668 12.250 -3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.622 13.122 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.493 16.749 -1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.589 15.867 -2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.368 15.864 -2.640 1.00 0.00 H new ATOM 623 N PHE A 40 -2.217 10.378 -2.309 1.00 0.00 N ATOM 624 CA PHE A 40 -2.072 9.083 -2.960 1.00 0.00 C ATOM 625 C PHE A 40 -2.526 7.961 -2.021 1.00 0.00 C ATOM 626 O PHE A 40 -3.334 7.132 -2.424 1.00 0.00 O ATOM 627 CB PHE A 40 -0.623 8.890 -3.426 1.00 0.00 C ATOM 628 CG PHE A 40 -0.180 7.451 -3.611 1.00 0.00 C ATOM 629 CD1 PHE A 40 -0.440 6.779 -4.818 1.00 0.00 C ATOM 630 CD2 PHE A 40 0.511 6.785 -2.578 1.00 0.00 C ATOM 631 CE1 PHE A 40 -0.009 5.454 -4.994 1.00 0.00 C ATOM 632 CE2 PHE A 40 0.948 5.460 -2.759 1.00 0.00 C ATOM 633 CZ PHE A 40 0.687 4.794 -3.968 1.00 0.00 C ATOM 0 H PHE A 40 -1.376 10.954 -2.337 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.712 9.047 -3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.491 9.416 -4.371 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.039 9.365 -2.702 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.972 7.283 -5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.705 7.293 -1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.214 4.941 -5.922 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.484 4.955 -1.969 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.021 3.777 -4.108 1.00 0.00 H new ATOM 643 N GLY A 41 -2.065 7.952 -0.768 1.00 0.00 N ATOM 644 CA GLY A 41 -2.501 6.965 0.208 1.00 0.00 C ATOM 645 C GLY A 41 -4.004 7.024 0.429 1.00 0.00 C ATOM 646 O GLY A 41 -4.684 6.009 0.310 1.00 0.00 O ATOM 0 H GLY A 41 -1.386 8.623 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.221 5.968 -0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.986 7.135 1.154 1.00 0.00 H new ATOM 650 N GLU A 42 -4.515 8.224 0.699 1.00 0.00 N ATOM 651 CA GLU A 42 -5.911 8.491 1.011 1.00 0.00 C ATOM 652 C GLU A 42 -6.844 8.136 -0.151 1.00 0.00 C ATOM 653 O GLU A 42 -8.039 7.958 0.082 1.00 0.00 O ATOM 654 CB GLU A 42 -6.050 9.976 1.380 1.00 0.00 C ATOM 655 CG GLU A 42 -5.915 10.277 2.882 1.00 0.00 C ATOM 656 CD GLU A 42 -7.272 10.694 3.461 1.00 0.00 C ATOM 657 OE1 GLU A 42 -8.103 9.822 3.798 1.00 0.00 O ATOM 658 OE2 GLU A 42 -7.549 11.918 3.442 1.00 0.00 O ATOM 0 H GLU A 42 -3.942 9.068 0.706 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.208 7.861 1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.293 10.544 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.021 10.333 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.543 9.396 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.185 11.072 3.037 1.00 0.00 H new ATOM 665 N LYS A 43 -6.344 8.024 -1.386 1.00 0.00 N ATOM 666 CA LYS A 43 -7.131 7.717 -2.578 1.00 0.00 C ATOM 667 C LYS A 43 -6.823 6.325 -3.113 1.00 0.00 C ATOM 668 O LYS A 43 -7.682 5.447 -3.065 1.00 0.00 O ATOM 669 CB LYS A 43 -6.924 8.818 -3.619 1.00 0.00 C ATOM 670 CG LYS A 43 -7.627 10.093 -3.126 1.00 0.00 C ATOM 671 CD LYS A 43 -7.994 10.995 -4.296 1.00 0.00 C ATOM 672 CE LYS A 43 -8.952 12.116 -3.874 1.00 0.00 C ATOM 673 NZ LYS A 43 -10.315 11.600 -3.612 1.00 0.00 N ATOM 0 H LYS A 43 -5.352 8.149 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.189 7.698 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.860 9.005 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.330 8.510 -4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.526 9.826 -2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.975 10.630 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.088 11.431 -4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.456 10.399 -5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.569 12.604 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.994 12.873 -4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.972 12.398 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.623 11.012 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.309 11.028 -2.744 1.00 0.00 H new ATOM 687 N VAL A 44 -5.610 6.111 -3.609 1.00 0.00 N ATOM 688 CA VAL A 44 -5.202 4.912 -4.331 1.00 0.00 C ATOM 689 C VAL A 44 -5.150 3.687 -3.409 1.00 0.00 C ATOM 690 O VAL A 44 -5.380 2.565 -3.869 1.00 0.00 O ATOM 691 CB VAL A 44 -3.828 5.172 -4.994 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.458 4.041 -5.957 1.00 0.00 C ATOM 693 CG2 VAL A 44 -3.800 6.507 -5.766 1.00 0.00 C ATOM 0 H VAL A 44 -4.857 6.792 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.942 4.691 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.102 5.220 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.488 4.250 -6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.408 3.099 -5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.214 3.967 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.817 6.647 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.557 6.490 -6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.007 7.328 -5.080 1.00 0.00 H new ATOM 703 N LEU A 45 -4.817 3.888 -2.126 1.00 0.00 N ATOM 704 CA LEU A 45 -4.678 2.799 -1.156 1.00 0.00 C ATOM 705 C LEU A 45 -5.844 2.803 -0.154 1.00 0.00 C ATOM 706 O LEU A 45 -6.074 1.805 0.533 1.00 0.00 O ATOM 707 CB LEU A 45 -3.334 2.893 -0.398 1.00 0.00 C ATOM 708 CG LEU A 45 -2.074 3.261 -1.214 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.827 3.304 -0.320 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.748 2.283 -2.333 1.00 0.00 C ATOM 0 H LEU A 45 -4.637 4.812 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.697 1.862 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.447 3.632 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.153 1.932 0.084 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.315 4.234 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.043 3.565 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.965 4.051 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.672 2.326 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.851 2.614 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.578 1.292 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.582 2.241 -3.034 1.00 0.00 H new ATOM 722 N GLY A 46 -6.553 3.929 -0.024 1.00 0.00 N ATOM 723 CA GLY A 46 -7.519 4.191 1.034 1.00 0.00 C ATOM 724 C GLY A 46 -6.916 4.082 2.439 1.00 0.00 C ATOM 725 O GLY A 46 -7.652 3.814 3.395 1.00 0.00 O ATOM 0 H GLY A 46 -6.463 4.706 -0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.934 5.190 0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.347 3.487 0.945 1.00 0.00 H new ATOM 729 N LEU A 47 -5.596 4.252 2.593 1.00 0.00 N ATOM 730 CA LEU A 47 -4.970 4.343 3.903 1.00 0.00 C ATOM 731 C LEU A 47 -5.093 5.774 4.410 1.00 0.00 C ATOM 732 O LEU A 47 -4.833 6.713 3.653 1.00 0.00 O ATOM 733 CB LEU A 47 -3.487 3.957 3.842 1.00 0.00 C ATOM 734 CG LEU A 47 -3.191 2.474 3.548 1.00 0.00 C ATOM 735 CD1 LEU A 47 -1.765 2.182 4.022 1.00 0.00 C ATOM 736 CD2 LEU A 47 -4.128 1.480 4.237 1.00 0.00 C ATOM 0 H LEU A 47 -4.943 4.329 1.814 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.475 3.650 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.005 4.563 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.024 4.219 4.793 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.334 2.336 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.524 1.137 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.065 2.822 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.690 2.379 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.840 0.463 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.059 1.604 5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.153 1.664 3.916 1.00 0.00 H new ATOM 748 N SER A 48 -5.399 5.941 5.698 1.00 0.00 N ATOM 749 CA SER A 48 -5.330 7.217 6.382 1.00 0.00 C ATOM 750 C SER A 48 -3.947 7.847 6.207 1.00 0.00 C ATOM 751 O SER A 48 -2.952 7.158 5.959 1.00 0.00 O ATOM 752 CB SER A 48 -5.601 7.018 7.873 1.00 0.00 C ATOM 753 OG SER A 48 -6.683 6.142 8.132 1.00 0.00 O ATOM 0 H SER A 48 -5.706 5.175 6.298 1.00 0.00 H new ATOM 0 HA SER A 48 -6.081 7.879 5.952 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.703 6.626 8.350 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.808 7.986 8.330 1.00 0.00 H new ATOM 0 HG SER A 48 -6.807 6.053 9.100 1.00 0.00 H new ATOM 759 N GLN A 49 -3.892 9.163 6.386 1.00 0.00 N ATOM 760 CA GLN A 49 -2.698 9.957 6.130 1.00 0.00 C ATOM 761 C GLN A 49 -1.519 9.465 6.969 1.00 0.00 C ATOM 762 O GLN A 49 -0.434 9.277 6.427 1.00 0.00 O ATOM 763 CB GLN A 49 -2.994 11.446 6.357 1.00 0.00 C ATOM 764 CG GLN A 49 -1.904 12.359 5.765 1.00 0.00 C ATOM 765 CD GLN A 49 -1.252 13.255 6.811 1.00 0.00 C ATOM 766 OE1 GLN A 49 -1.423 14.474 6.790 1.00 0.00 O ATOM 767 NE2 GLN A 49 -0.517 12.689 7.755 1.00 0.00 N ATOM 0 H GLN A 49 -4.685 9.713 6.717 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.409 9.834 5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.956 11.695 5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.082 11.637 7.426 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.138 11.744 5.292 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.342 12.980 4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.384 11.678 7.760 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.084 13.264 8.477 1.00 0.00 H new ATOM 776 N GLY A 50 -1.711 9.258 8.275 1.00 0.00 N ATOM 777 CA GLY A 50 -0.670 8.761 9.165 1.00 0.00 C ATOM 778 C GLY A 50 -0.176 7.384 8.731 1.00 0.00 C ATOM 779 O GLY A 50 1.029 7.136 8.713 1.00 0.00 O ATOM 0 H GLY A 50 -2.600 9.433 8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.165 9.461 9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.055 8.707 10.183 1.00 0.00 H new ATOM 783 N SER A 51 -1.104 6.507 8.340 1.00 0.00 N ATOM 784 CA SER A 51 -0.803 5.153 7.920 1.00 0.00 C ATOM 785 C SER A 51 0.141 5.146 6.717 1.00 0.00 C ATOM 786 O SER A 51 1.207 4.535 6.810 1.00 0.00 O ATOM 787 CB SER A 51 -2.101 4.396 7.638 1.00 0.00 C ATOM 788 OG SER A 51 -2.942 4.394 8.779 1.00 0.00 O ATOM 0 H SER A 51 -2.099 6.730 8.309 1.00 0.00 H new ATOM 0 HA SER A 51 -0.282 4.638 8.727 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.621 4.857 6.798 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.873 3.371 7.347 1.00 0.00 H new ATOM 0 HG SER A 51 -3.767 3.906 8.576 1.00 0.00 H new ATOM 794 N VAL A 52 -0.212 5.795 5.597 1.00 0.00 N ATOM 795 CA VAL A 52 0.661 5.831 4.432 1.00 0.00 C ATOM 796 C VAL A 52 1.986 6.530 4.740 1.00 0.00 C ATOM 797 O VAL A 52 3.017 6.144 4.185 1.00 0.00 O ATOM 798 CB VAL A 52 -0.080 6.452 3.224 1.00 0.00 C ATOM 799 CG1 VAL A 52 0.362 7.872 2.822 1.00 0.00 C ATOM 800 CG2 VAL A 52 0.081 5.472 2.062 1.00 0.00 C ATOM 0 H VAL A 52 -1.092 6.297 5.481 1.00 0.00 H new ATOM 0 HA VAL A 52 0.921 4.808 4.161 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.121 6.596 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.223 8.206 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.203 8.553 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.419 7.863 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.426 5.865 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.140 5.340 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.356 4.511 2.333 1.00 0.00 H new ATOM 810 N SER A 53 1.957 7.550 5.604 1.00 0.00 N ATOM 811 CA SER A 53 3.117 8.347 5.942 1.00 0.00 C ATOM 812 C SER A 53 4.202 7.433 6.487 1.00 0.00 C ATOM 813 O SER A 53 5.300 7.413 5.927 1.00 0.00 O ATOM 814 CB SER A 53 2.700 9.410 6.953 1.00 0.00 C ATOM 815 OG SER A 53 3.706 10.385 7.164 1.00 0.00 O ATOM 0 H SER A 53 1.109 7.841 6.090 1.00 0.00 H new ATOM 0 HA SER A 53 3.519 8.854 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.791 9.901 6.605 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.460 8.930 7.902 1.00 0.00 H new ATOM 0 HG SER A 53 3.391 11.044 7.817 1.00 0.00 H new ATOM 821 N ASP A 54 3.904 6.674 7.545 1.00 0.00 N ATOM 822 CA ASP A 54 4.902 5.822 8.174 1.00 0.00 C ATOM 823 C ASP A 54 5.266 4.638 7.294 1.00 0.00 C ATOM 824 O ASP A 54 6.424 4.236 7.303 1.00 0.00 O ATOM 825 CB ASP A 54 4.444 5.330 9.542 1.00 0.00 C ATOM 826 CG ASP A 54 5.697 5.050 10.360 1.00 0.00 C ATOM 827 OD1 ASP A 54 6.322 6.052 10.780 1.00 0.00 O ATOM 828 OD2 ASP A 54 6.058 3.878 10.601 1.00 0.00 O ATOM 0 H ASP A 54 2.982 6.636 7.979 1.00 0.00 H new ATOM 0 HA ASP A 54 5.791 6.437 8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.823 6.080 10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.839 4.429 9.444 1.00 0.00 H new ATOM 833 N MET A 55 4.343 4.138 6.464 1.00 0.00 N ATOM 834 CA MET A 55 4.637 3.164 5.429 1.00 0.00 C ATOM 835 C MET A 55 5.788 3.644 4.555 1.00 0.00 C ATOM 836 O MET A 55 6.832 3.001 4.473 1.00 0.00 O ATOM 837 CB MET A 55 3.365 2.949 4.597 1.00 0.00 C ATOM 838 CG MET A 55 2.958 1.496 4.548 1.00 0.00 C ATOM 839 SD MET A 55 2.658 0.690 6.145 1.00 0.00 S ATOM 840 CE MET A 55 0.879 1.016 6.299 1.00 0.00 C ATOM 0 H MET A 55 3.360 4.408 6.500 1.00 0.00 H new ATOM 0 HA MET A 55 4.944 2.220 5.878 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.552 3.539 5.020 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.530 3.313 3.583 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.051 1.415 3.948 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.737 0.940 4.025 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.528 0.669 7.271 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.696 2.087 6.209 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.343 0.489 5.510 1.00 0.00 H new ATOM 850 N LEU A 56 5.597 4.793 3.912 1.00 0.00 N ATOM 851 CA LEU A 56 6.572 5.407 3.033 1.00 0.00 C ATOM 852 C LEU A 56 7.782 5.976 3.783 1.00 0.00 C ATOM 853 O LEU A 56 8.784 6.271 3.129 1.00 0.00 O ATOM 854 CB LEU A 56 5.870 6.510 2.218 1.00 0.00 C ATOM 855 CG LEU A 56 4.809 6.005 1.224 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.244 7.186 0.435 1.00 0.00 C ATOM 857 CD2 LEU A 56 5.383 4.964 0.265 1.00 0.00 C ATOM 0 H LEU A 56 4.735 5.332 3.994 1.00 0.00 H new ATOM 0 HA LEU A 56 6.967 4.635 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.396 7.207 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.625 7.071 1.667 1.00 0.00 H new ATOM 0 HG LEU A 56 4.013 5.525 1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.493 6.827 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.787 7.898 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.049 7.676 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.603 4.632 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.202 5.405 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.754 4.111 0.833 1.00 0.00 H new ATOM 869 N SER A 57 7.723 6.154 5.105 1.00 0.00 N ATOM 870 CA SER A 57 8.843 6.650 5.896 1.00 0.00 C ATOM 871 C SER A 57 9.745 5.473 6.278 1.00 0.00 C ATOM 872 O SER A 57 10.943 5.487 5.990 1.00 0.00 O ATOM 873 CB SER A 57 8.309 7.370 7.152 1.00 0.00 C ATOM 874 OG SER A 57 9.221 8.345 7.622 1.00 0.00 O ATOM 0 H SER A 57 6.889 5.955 5.657 1.00 0.00 H new ATOM 0 HA SER A 57 9.427 7.365 5.316 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.355 7.844 6.922 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.120 6.639 7.938 1.00 0.00 H new ATOM 0 HG SER A 57 8.851 8.783 8.417 1.00 0.00 H new ATOM 880 N ARG A 58 9.164 4.440 6.892 1.00 0.00 N ATOM 881 CA ARG A 58 9.847 3.334 7.547 1.00 0.00 C ATOM 882 C ARG A 58 9.011 2.067 7.337 1.00 0.00 C ATOM 883 O ARG A 58 8.287 1.654 8.255 1.00 0.00 O ATOM 884 CB ARG A 58 10.028 3.646 9.044 1.00 0.00 C ATOM 885 CG ARG A 58 10.874 4.892 9.330 1.00 0.00 C ATOM 886 CD ARG A 58 11.259 4.931 10.818 1.00 0.00 C ATOM 887 NE ARG A 58 12.567 5.571 11.039 1.00 0.00 N ATOM 888 CZ ARG A 58 13.750 4.958 11.226 1.00 0.00 C ATOM 889 NH1 ARG A 58 13.862 3.630 11.203 1.00 0.00 N ATOM 890 NH2 ARG A 58 14.835 5.693 11.436 1.00 0.00 N ATOM 0 H ARG A 58 8.149 4.353 6.946 1.00 0.00 H new ATOM 0 HA ARG A 58 10.839 3.184 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.045 3.776 9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.492 2.787 9.529 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.772 4.882 8.713 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.316 5.790 9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.494 5.471 11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.283 3.915 11.212 1.00 0.00 H new ATOM 0 HE ARG A 58 12.577 6.591 11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.038 3.051 11.040 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.772 3.192 11.348 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.766 6.711 11.454 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.738 5.240 11.579 1.00 0.00 H new ATOM 904 N PRO A 59 9.043 1.461 6.139 1.00 0.00 N ATOM 905 CA PRO A 59 8.272 0.263 5.854 1.00 0.00 C ATOM 906 C PRO A 59 8.831 -0.936 6.633 1.00 0.00 C ATOM 907 O PRO A 59 9.976 -0.930 7.091 1.00 0.00 O ATOM 908 CB PRO A 59 8.342 0.054 4.338 1.00 0.00 C ATOM 909 CG PRO A 59 9.449 0.978 3.831 1.00 0.00 C ATOM 910 CD PRO A 59 9.903 1.812 5.024 1.00 0.00 C ATOM 0 HA PRO A 59 7.234 0.366 6.170 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.563 -0.986 4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.389 0.294 3.867 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.279 0.401 3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.082 1.618 3.029 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.947 1.607 5.263 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.830 2.876 4.801 1.00 0.00 H new ATOM 918 N LYS A 60 8.027 -1.991 6.771 1.00 0.00 N ATOM 919 CA LYS A 60 8.464 -3.277 7.312 1.00 0.00 C ATOM 920 C LYS A 60 9.151 -4.095 6.211 1.00 0.00 C ATOM 921 O LYS A 60 8.886 -3.853 5.029 1.00 0.00 O ATOM 922 CB LYS A 60 7.229 -4.045 7.817 1.00 0.00 C ATOM 923 CG LYS A 60 6.648 -3.498 9.131 1.00 0.00 C ATOM 924 CD LYS A 60 7.389 -4.074 10.345 1.00 0.00 C ATOM 925 CE LYS A 60 6.937 -3.479 11.683 1.00 0.00 C ATOM 926 NZ LYS A 60 5.488 -3.624 11.955 1.00 0.00 N ATOM 0 H LYS A 60 7.042 -1.975 6.507 1.00 0.00 H new ATOM 0 HA LYS A 60 9.167 -3.113 8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.456 -4.015 7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.497 -5.092 7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.720 -2.410 9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.589 -3.747 9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.243 -5.154 10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.458 -3.900 10.223 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.496 -3.957 12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.194 -2.420 11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.263 -3.197 12.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.945 -3.144 11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.237 -4.633 11.970 1.00 0.00 H new ATOM 940 N PRO A 61 9.935 -5.132 6.564 1.00 0.00 N ATOM 941 CA PRO A 61 10.301 -6.156 5.596 1.00 0.00 C ATOM 942 C PRO A 61 9.040 -6.917 5.184 1.00 0.00 C ATOM 943 O PRO A 61 8.113 -7.069 5.987 1.00 0.00 O ATOM 944 CB PRO A 61 11.305 -7.076 6.298 1.00 0.00 C ATOM 945 CG PRO A 61 11.027 -6.880 7.782 1.00 0.00 C ATOM 946 CD PRO A 61 10.377 -5.498 7.905 1.00 0.00 C ATOM 0 HA PRO A 61 10.746 -5.738 4.693 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.165 -8.116 6.002 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.331 -6.808 6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.366 -7.659 8.162 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.948 -6.932 8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.536 -5.524 8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.087 -4.768 8.293 1.00 0.00 H new ATOM 954 N TRP A 62 9.038 -7.462 3.969 1.00 0.00 N ATOM 955 CA TRP A 62 7.934 -8.220 3.398 1.00 0.00 C ATOM 956 C TRP A 62 7.481 -9.340 4.334 1.00 0.00 C ATOM 957 O TRP A 62 6.285 -9.511 4.573 1.00 0.00 O ATOM 958 CB TRP A 62 8.364 -8.790 2.044 1.00 0.00 C ATOM 959 CG TRP A 62 7.283 -9.533 1.333 1.00 0.00 C ATOM 960 CD1 TRP A 62 7.218 -10.873 1.197 1.00 0.00 C ATOM 961 CD2 TRP A 62 6.078 -9.008 0.701 1.00 0.00 C ATOM 962 NE1 TRP A 62 6.099 -11.209 0.468 1.00 0.00 N ATOM 963 CE2 TRP A 62 5.378 -10.094 0.101 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.506 -7.725 0.570 1.00 0.00 C ATOM 965 CZ2 TRP A 62 4.208 -9.909 -0.647 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.318 -7.526 -0.159 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.678 -8.614 -0.779 1.00 0.00 C ATOM 0 H TRP A 62 9.834 -7.383 3.336 1.00 0.00 H new ATOM 0 HA TRP A 62 7.084 -7.551 3.261 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.709 -7.974 1.410 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.213 -9.457 2.194 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.934 -11.575 1.598 1.00 0.00 H new ATOM 0 HE1 TRP A 62 5.836 -12.165 0.229 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.989 -6.880 1.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.720 -10.750 -1.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.897 -6.535 -0.242 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.779 -8.454 -1.356 1.00 0.00 H new ATOM 978 N SER A 63 8.432 -10.067 4.926 1.00 0.00 N ATOM 979 CA SER A 63 8.177 -11.162 5.853 1.00 0.00 C ATOM 980 C SER A 63 7.315 -10.739 7.049 1.00 0.00 C ATOM 981 O SER A 63 6.508 -11.522 7.554 1.00 0.00 O ATOM 982 CB SER A 63 9.525 -11.673 6.368 1.00 0.00 C ATOM 983 OG SER A 63 10.461 -11.822 5.316 1.00 0.00 O ATOM 0 H SER A 63 9.426 -9.902 4.767 1.00 0.00 H new ATOM 0 HA SER A 63 7.626 -11.935 5.318 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.919 -10.979 7.111 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.385 -12.631 6.870 1.00 0.00 H new ATOM 0 HG SER A 63 11.311 -12.148 5.678 1.00 0.00 H new ATOM 989 N LYS A 64 7.497 -9.502 7.523 1.00 0.00 N ATOM 990 CA LYS A 64 6.817 -8.962 8.700 1.00 0.00 C ATOM 991 C LYS A 64 5.482 -8.310 8.336 1.00 0.00 C ATOM 992 O LYS A 64 4.766 -7.855 9.234 1.00 0.00 O ATOM 993 CB LYS A 64 7.749 -7.979 9.424 1.00 0.00 C ATOM 994 CG LYS A 64 8.947 -8.675 10.099 1.00 0.00 C ATOM 995 CD LYS A 64 8.542 -9.281 11.441 1.00 0.00 C ATOM 996 CE LYS A 64 9.643 -10.182 12.003 1.00 0.00 C ATOM 997 NZ LYS A 64 9.234 -10.785 13.286 1.00 0.00 N ATOM 0 H LYS A 64 8.135 -8.836 7.088 1.00 0.00 H new ATOM 0 HA LYS A 64 6.582 -9.785 9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.118 -7.243 8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.180 -7.434 10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.334 -9.456 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.753 -7.956 10.249 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.325 -8.483 12.151 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.625 -9.858 11.319 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.874 -10.969 11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.555 -9.602 12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.999 -11.391 13.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.036 -10.032 13.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.377 -11.357 13.143 1.00 0.00 H new ATOM 1011 N LEU A 65 5.130 -8.245 7.052 1.00 0.00 N ATOM 1012 CA LEU A 65 3.763 -8.012 6.615 1.00 0.00 C ATOM 1013 C LEU A 65 3.123 -9.388 6.434 1.00 0.00 C ATOM 1014 O LEU A 65 3.783 -10.327 5.994 1.00 0.00 O ATOM 1015 CB LEU A 65 3.726 -7.229 5.291 1.00 0.00 C ATOM 1016 CG LEU A 65 4.437 -5.863 5.298 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.499 -5.328 3.864 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.711 -4.853 6.198 1.00 0.00 C ATOM 0 H LEU A 65 5.793 -8.354 6.285 1.00 0.00 H new ATOM 0 HA LEU A 65 3.224 -7.414 7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.175 -7.847 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.684 -7.073 5.012 1.00 0.00 H new ATOM 0 HG LEU A 65 5.442 -5.998 5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.001 -4.360 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.053 -6.028 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.488 -5.214 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.241 -3.901 6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.693 -4.709 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.682 -5.231 7.220 1.00 0.00 H new ATOM 1030 N THR A 66 1.824 -9.492 6.685 1.00 0.00 N ATOM 1031 CA THR A 66 0.976 -10.611 6.266 1.00 0.00 C ATOM 1032 C THR A 66 0.017 -10.079 5.208 1.00 0.00 C ATOM 1033 O THR A 66 0.020 -8.872 4.982 1.00 0.00 O ATOM 1034 CB THR A 66 0.241 -11.205 7.478 1.00 0.00 C ATOM 1035 OG1 THR A 66 -0.554 -10.266 8.193 1.00 0.00 O ATOM 1036 CG2 THR A 66 1.242 -11.771 8.472 1.00 0.00 C ATOM 0 H THR A 66 1.311 -8.778 7.203 1.00 0.00 H new ATOM 0 HA THR A 66 1.567 -11.422 5.841 1.00 0.00 H new ATOM 0 HB THR A 66 -0.415 -11.969 7.061 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.991 -10.714 8.947 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.710 -12.189 9.326 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.829 -12.554 7.992 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.906 -10.976 8.812 1.00 0.00 H new ATOM 1044 N GLN A 67 -0.829 -10.908 4.588 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.722 -10.455 3.521 1.00 0.00 C ATOM 1046 C GLN A 67 -2.510 -9.194 3.909 1.00 0.00 C ATOM 1047 O GLN A 67 -2.610 -8.270 3.102 1.00 0.00 O ATOM 1048 CB GLN A 67 -2.658 -11.580 3.061 1.00 0.00 C ATOM 1049 CG GLN A 67 -1.920 -12.729 2.357 1.00 0.00 C ATOM 1050 CD GLN A 67 -1.574 -13.905 3.260 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -1.258 -13.755 4.443 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -1.593 -15.104 2.710 1.00 0.00 N ATOM 0 H GLN A 67 -0.913 -11.900 4.809 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.088 -10.180 2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.193 -11.975 3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.406 -11.168 2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.536 -13.089 1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.000 -12.340 1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.857 -15.212 1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.344 -15.923 3.264 1.00 0.00 H new ATOM 1061 N LYS A 68 -2.964 -9.079 5.167 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.733 -7.901 5.590 1.00 0.00 C ATOM 1063 C LYS A 68 -2.914 -6.608 5.514 1.00 0.00 C ATOM 1064 O LYS A 68 -3.475 -5.542 5.256 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.312 -8.124 6.996 1.00 0.00 C ATOM 1066 CG LYS A 68 -5.164 -6.930 7.459 1.00 0.00 C ATOM 1067 CD LYS A 68 -6.234 -7.303 8.491 1.00 0.00 C ATOM 1068 CE LYS A 68 -6.745 -6.012 9.142 1.00 0.00 C ATOM 1069 NZ LYS A 68 -8.071 -6.140 9.778 1.00 0.00 N ATOM 0 H LYS A 68 -2.815 -9.775 5.897 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.559 -7.776 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.921 -9.028 6.999 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.498 -8.286 7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.509 -6.171 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.648 -6.482 6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.054 -7.837 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.818 -7.970 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.024 -5.687 9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.792 -5.230 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.346 -5.227 10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.773 -6.420 9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.030 -6.863 10.525 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.606 -6.697 5.740 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.665 -5.591 5.621 1.00 0.00 C ATOM 1085 C GLY A 69 -0.006 -5.517 4.246 1.00 0.00 C ATOM 1086 O GLY A 69 0.572 -4.487 3.920 1.00 0.00 O ATOM 0 H GLY A 69 -1.159 -7.570 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.186 -4.654 5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.107 -5.694 6.383 1.00 0.00 H new ATOM 1090 N ARG A 70 -0.058 -6.572 3.427 1.00 0.00 N ATOM 1091 CA ARG A 70 0.501 -6.562 2.078 1.00 0.00 C ATOM 1092 C ARG A 70 -0.464 -5.918 1.101 1.00 0.00 C ATOM 1093 O ARG A 70 0.011 -5.301 0.161 1.00 0.00 O ATOM 1094 CB ARG A 70 0.855 -7.982 1.619 1.00 0.00 C ATOM 1095 CG ARG A 70 2.043 -8.533 2.413 1.00 0.00 C ATOM 1096 CD ARG A 70 2.234 -10.031 2.207 1.00 0.00 C ATOM 1097 NE ARG A 70 3.394 -10.502 2.982 1.00 0.00 N ATOM 1098 CZ ARG A 70 3.953 -11.713 2.933 1.00 0.00 C ATOM 1099 NH1 ARG A 70 3.504 -12.652 2.118 1.00 0.00 N ATOM 1100 NH2 ARG A 70 4.979 -11.982 3.729 1.00 0.00 N ATOM 0 H ARG A 70 -0.491 -7.459 3.685 1.00 0.00 H new ATOM 0 HA ARG A 70 1.417 -5.972 2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.008 -8.636 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.095 -7.976 0.556 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.951 -8.009 2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.893 -8.331 3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.337 -10.566 2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.382 -10.245 1.149 1.00 0.00 H new ATOM 0 HE ARG A 70 3.815 -9.831 3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.711 -12.460 1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.950 -13.569 2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.330 -11.268 4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.417 -12.903 3.703 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.776 -5.986 1.325 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.807 -5.370 0.491 1.00 0.00 C ATOM 1116 C GLU A 71 -2.452 -3.943 0.016 1.00 0.00 C ATOM 1117 O GLU A 71 -2.386 -3.712 -1.196 1.00 0.00 O ATOM 1118 CB GLU A 71 -4.148 -5.447 1.248 1.00 0.00 C ATOM 1119 CG GLU A 71 -5.291 -6.042 0.422 1.00 0.00 C ATOM 1120 CD GLU A 71 -6.352 -4.991 0.092 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -7.179 -4.676 0.985 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -6.362 -4.470 -1.041 1.00 0.00 O ATOM 0 H GLU A 71 -2.164 -6.490 2.122 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.887 -5.929 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.012 -6.047 2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.430 -4.445 1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.893 -6.461 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.750 -6.863 0.973 1.00 0.00 H new ATOM 1129 N PRO A 72 -2.136 -2.978 0.902 1.00 0.00 N ATOM 1130 CA PRO A 72 -1.817 -1.629 0.452 1.00 0.00 C ATOM 1131 C PRO A 72 -0.447 -1.552 -0.243 1.00 0.00 C ATOM 1132 O PRO A 72 -0.262 -0.724 -1.134 1.00 0.00 O ATOM 1133 CB PRO A 72 -1.891 -0.763 1.708 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.539 -1.726 2.841 1.00 0.00 C ATOM 1135 CD PRO A 72 -2.133 -3.047 2.359 1.00 0.00 C ATOM 0 HA PRO A 72 -2.516 -1.283 -0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.190 0.071 1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.885 -0.336 1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.462 -1.798 2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.972 -1.410 3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.540 -3.892 2.708 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.143 -3.185 2.745 1.00 0.00 H new ATOM 1143 N PHE A 73 0.513 -2.418 0.105 1.00 0.00 N ATOM 1144 CA PHE A 73 1.782 -2.536 -0.611 1.00 0.00 C ATOM 1145 C PHE A 73 1.567 -3.107 -2.017 1.00 0.00 C ATOM 1146 O PHE A 73 2.264 -2.713 -2.944 1.00 0.00 O ATOM 1147 CB PHE A 73 2.783 -3.399 0.172 1.00 0.00 C ATOM 1148 CG PHE A 73 3.441 -2.689 1.344 1.00 0.00 C ATOM 1149 CD1 PHE A 73 2.753 -2.502 2.555 1.00 0.00 C ATOM 1150 CD2 PHE A 73 4.758 -2.213 1.229 1.00 0.00 C ATOM 1151 CE1 PHE A 73 3.391 -1.893 3.650 1.00 0.00 C ATOM 1152 CE2 PHE A 73 5.393 -1.577 2.307 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.716 -1.435 3.528 1.00 0.00 C ATOM 0 H PHE A 73 0.428 -3.058 0.895 1.00 0.00 H new ATOM 0 HA PHE A 73 2.201 -1.534 -0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.268 -4.285 0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.560 -3.743 -0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.727 -2.828 2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.290 -2.338 0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.864 -1.777 4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.399 -1.198 2.197 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.210 -0.976 4.371 1.00 0.00 H new ATOM 1163 N ILE A 74 0.624 -4.026 -2.201 1.00 0.00 N ATOM 1164 CA ILE A 74 0.260 -4.620 -3.482 1.00 0.00 C ATOM 1165 C ILE A 74 -0.322 -3.541 -4.384 1.00 0.00 C ATOM 1166 O ILE A 74 0.089 -3.436 -5.537 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.685 -5.811 -3.219 1.00 0.00 C ATOM 1168 CG1 ILE A 74 0.160 -7.002 -2.726 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.545 -6.204 -4.426 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -0.677 -8.040 -1.983 1.00 0.00 C ATOM 0 H ILE A 74 0.069 -4.392 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 74 1.125 -5.020 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.401 -5.504 -2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.648 -7.475 -3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.949 -6.637 -2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.181 -7.048 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.168 -5.359 -4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.898 -6.485 -5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.036 -8.858 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.144 -7.576 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.450 -8.427 -2.647 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.225 -2.703 -3.872 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.721 -1.559 -4.610 1.00 0.00 C ATOM 1184 C ARG A 75 -0.581 -0.621 -4.980 1.00 0.00 C ATOM 1185 O ARG A 75 -0.518 -0.181 -6.124 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.784 -0.877 -3.756 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.099 -1.645 -3.862 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.181 -0.961 -3.033 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.491 -1.463 -3.446 1.00 0.00 N ATOM 1190 CZ ARG A 75 -7.326 -0.896 -4.320 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -7.125 0.341 -4.768 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -8.354 -1.612 -4.758 1.00 0.00 N ATOM 0 H ARG A 75 -1.626 -2.804 -2.940 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.171 -1.872 -5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.458 -0.836 -2.717 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.925 0.152 -4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.412 -1.701 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.959 -2.669 -3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.021 -1.156 -1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.132 0.119 -3.170 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.799 -2.338 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.320 0.876 -4.444 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.776 0.754 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.488 -2.567 -4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.010 -1.207 -5.426 1.00 0.00 H new ATOM 1206 N MET A 76 0.347 -0.366 -4.054 1.00 0.00 N ATOM 1207 CA MET A 76 1.559 0.394 -4.327 1.00 0.00 C ATOM 1208 C MET A 76 2.332 -0.174 -5.531 1.00 0.00 C ATOM 1209 O MET A 76 2.736 0.600 -6.396 1.00 0.00 O ATOM 1210 CB MET A 76 2.433 0.437 -3.059 1.00 0.00 C ATOM 1211 CG MET A 76 2.678 1.858 -2.571 1.00 0.00 C ATOM 1212 SD MET A 76 4.033 2.018 -1.377 1.00 0.00 S ATOM 1213 CE MET A 76 3.159 1.631 0.153 1.00 0.00 C ATOM 0 H MET A 76 0.273 -0.686 -3.088 1.00 0.00 H new ATOM 0 HA MET A 76 1.279 1.412 -4.597 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.950 -0.138 -2.269 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.389 -0.044 -3.264 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.891 2.493 -3.431 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.762 2.236 -2.116 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.853 1.685 0.992 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.352 2.349 0.303 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.743 0.625 0.090 1.00 0.00 H new ATOM 1223 N GLN A 77 2.528 -1.498 -5.598 1.00 0.00 N ATOM 1224 CA GLN A 77 3.251 -2.150 -6.691 1.00 0.00 C ATOM 1225 C GLN A 77 2.480 -2.010 -7.995 1.00 0.00 C ATOM 1226 O GLN A 77 3.039 -1.596 -9.005 1.00 0.00 O ATOM 1227 CB GLN A 77 3.426 -3.652 -6.438 1.00 0.00 C ATOM 1228 CG GLN A 77 4.305 -4.030 -5.255 1.00 0.00 C ATOM 1229 CD GLN A 77 4.026 -5.468 -4.829 1.00 0.00 C ATOM 1230 OE1 GLN A 77 3.516 -5.662 -3.625 1.00 0.00 O flip ATOM 1231 NE2 GLN A 77 4.230 -6.420 -5.577 1.00 0.00 N flip ATOM 0 H GLN A 77 2.186 -2.148 -4.890 1.00 0.00 H new ATOM 0 HA GLN A 77 4.225 -1.664 -6.751 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.440 -4.093 -6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.845 -4.105 -7.336 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.356 -3.920 -5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.116 -3.353 -4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.624 -6.264 -6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.006 -7.367 -5.270 1.00 0.00 H new ATOM 1240 N LEU A 78 1.202 -2.393 -7.986 1.00 0.00 N ATOM 1241 CA LEU A 78 0.393 -2.402 -9.191 1.00 0.00 C ATOM 1242 C LEU A 78 0.337 -1.002 -9.769 1.00 0.00 C ATOM 1243 O LEU A 78 0.530 -0.847 -10.969 1.00 0.00 O ATOM 1244 CB LEU A 78 -1.006 -2.975 -8.908 1.00 0.00 C ATOM 1245 CG LEU A 78 -1.029 -4.508 -9.063 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -2.186 -5.127 -8.279 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -1.156 -4.907 -10.542 1.00 0.00 C ATOM 0 H LEU A 78 0.709 -2.702 -7.148 1.00 0.00 H new ATOM 0 HA LEU A 78 0.850 -3.056 -9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.313 -2.706 -7.898 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.729 -2.528 -9.591 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.087 -4.885 -8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.175 -6.209 -8.408 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.078 -4.887 -7.221 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.131 -4.727 -8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.170 -5.994 -10.626 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.081 -4.500 -10.951 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.307 -4.511 -11.100 1.00 0.00 H new ATOM 1259 N TRP A 79 0.173 0.022 -8.936 1.00 0.00 N ATOM 1260 CA TRP A 79 0.173 1.401 -9.380 1.00 0.00 C ATOM 1261 C TRP A 79 1.475 1.808 -10.066 1.00 0.00 C ATOM 1262 O TRP A 79 1.430 2.608 -10.996 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.092 2.298 -8.167 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.081 3.768 -8.445 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.135 4.529 -8.820 1.00 0.00 C ATOM 1266 CD2 TRP A 79 1.071 4.661 -8.418 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.717 5.829 -9.026 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.637 5.963 -8.803 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.441 4.492 -8.116 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.521 7.046 -8.893 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.333 5.576 -8.200 1.00 0.00 C ATOM 1272 CH2 TRP A 79 2.876 6.848 -8.587 1.00 0.00 C ATOM 0 H TRP A 79 0.036 -0.088 -7.931 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.611 1.516 -10.129 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.061 2.032 -7.744 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.658 2.083 -7.406 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.148 4.174 -8.940 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.332 6.593 -9.307 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.807 3.521 -7.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.164 8.020 -9.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.377 5.430 -7.965 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.569 7.674 -8.649 1.00 0.00 H new ATOM 1283 N LEU A 80 2.628 1.271 -9.667 1.00 0.00 N ATOM 1284 CA LEU A 80 3.886 1.649 -10.317 1.00 0.00 C ATOM 1285 C LEU A 80 3.860 1.313 -11.803 1.00 0.00 C ATOM 1286 O LEU A 80 4.393 2.088 -12.599 1.00 0.00 O ATOM 1287 CB LEU A 80 5.097 0.974 -9.660 1.00 0.00 C ATOM 1288 CG LEU A 80 5.795 1.890 -8.647 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.658 1.024 -7.740 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.665 2.953 -9.330 1.00 0.00 C ATOM 0 H LEU A 80 2.719 0.588 -8.915 1.00 0.00 H new ATOM 0 HA LEU A 80 3.987 2.727 -10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.774 0.061 -9.159 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.809 0.680 -10.431 1.00 0.00 H new ATOM 0 HG LEU A 80 5.034 2.421 -8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.165 1.655 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.029 0.301 -7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.399 0.495 -8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.139 3.577 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.433 2.464 -9.929 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.042 3.574 -9.974 1.00 0.00 H new ATOM 1302 N SER A 81 3.251 0.185 -12.166 1.00 0.00 N ATOM 1303 CA SER A 81 3.220 -0.305 -13.531 1.00 0.00 C ATOM 1304 C SER A 81 1.936 0.140 -14.245 1.00 0.00 C ATOM 1305 O SER A 81 1.990 0.603 -15.389 1.00 0.00 O ATOM 1306 CB SER A 81 3.379 -1.828 -13.490 1.00 0.00 C ATOM 1307 OG SER A 81 4.002 -2.278 -14.669 1.00 0.00 O ATOM 0 H SER A 81 2.760 -0.418 -11.506 1.00 0.00 H new ATOM 0 HA SER A 81 4.040 0.118 -14.111 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.972 -2.117 -12.622 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.403 -2.301 -13.381 1.00 0.00 H new ATOM 0 HG SER A 81 4.102 -3.252 -14.635 1.00 0.00 H new ATOM 1313 N ASP A 82 0.789 0.017 -13.571 1.00 0.00 N ATOM 1314 CA ASP A 82 -0.568 0.169 -14.097 1.00 0.00 C ATOM 1315 C ASP A 82 -1.090 1.599 -13.979 1.00 0.00 C ATOM 1316 O ASP A 82 -1.966 1.987 -14.751 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.527 -0.718 -13.279 1.00 0.00 C ATOM 1318 CG ASP A 82 -2.848 -0.981 -14.010 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -2.852 -1.740 -15.004 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -3.908 -0.460 -13.593 1.00 0.00 O ATOM 0 H ASP A 82 0.785 -0.207 -12.576 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.528 -0.111 -15.150 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.041 -1.669 -13.060 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.734 -0.238 -12.322 1.00 0.00 H new ATOM 1325 N GLN A 83 -0.585 2.356 -12.999 1.00 0.00 N ATOM 1326 CA GLN A 83 -1.136 3.585 -12.427 1.00 0.00 C ATOM 1327 C GLN A 83 -2.576 3.493 -11.914 1.00 0.00 C ATOM 1328 O GLN A 83 -3.065 4.478 -11.364 1.00 0.00 O ATOM 1329 CB GLN A 83 -0.875 4.784 -13.351 1.00 0.00 C ATOM 1330 CG GLN A 83 0.417 5.498 -12.928 1.00 0.00 C ATOM 1331 CD GLN A 83 0.853 6.529 -13.956 1.00 0.00 C ATOM 1332 OE1 GLN A 83 0.838 7.731 -13.706 1.00 0.00 O ATOM 1333 NE2 GLN A 83 1.281 6.085 -15.124 1.00 0.00 N ATOM 0 H GLN A 83 0.294 2.101 -12.549 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.583 3.753 -11.503 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.793 4.447 -14.384 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.715 5.477 -13.308 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.264 5.986 -11.965 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.210 4.763 -12.791 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.288 5.084 -15.318 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.605 6.744 -15.832 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.228 2.325 -11.960 1.00 0.00 N ATOM 1343 CA LEU A 84 -4.651 2.131 -11.834 1.00 0.00 C ATOM 1344 C LEU A 84 -5.408 2.908 -12.907 1.00 0.00 C ATOM 1345 O LEU A 84 -5.011 3.974 -13.380 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.142 2.331 -10.401 1.00 0.00 C ATOM 1347 CG LEU A 84 -4.687 1.158 -9.506 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.397 1.449 -8.752 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.766 0.845 -8.495 1.00 0.00 C ATOM 0 H LEU A 84 -2.732 1.444 -12.095 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.880 1.084 -12.033 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.755 3.270 -10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.229 2.405 -10.390 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.504 0.313 -10.170 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.130 0.587 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.597 1.651 -9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.539 2.318 -8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.444 0.017 -7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.950 1.723 -7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.683 0.569 -9.015 1.00 0.00 H new