USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 TYR OH : rot 20:sc= 0.234 USER MOD Set 1.2: A 80 THR OG1 : rot 46:sc= 0.96 USER MOD Single : A 9 MET CE :methyl 142:sc= -1.06 (180deg=-3.63!) USER MOD Single : A 20 ASN : amide:sc= -0.297 K(o=-0.3,f=0.25) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.645 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00804 USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= -1.66 (180deg=-2.43!) USER MOD Single : A 36 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -1.76 K(o=-1.8,f=-0.19) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -129:sc= -6.61! (180deg=-12.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -51:sc= 0.0116 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -0.0547 (180deg=-0.594) USER MOD Single : A 73 ASN : amide:sc=-7.13e-05 X(o=-7.1e-05,f=-0.37) USER MOD Single : A 74 ASN : amide:sc= -2.15 K(o=-2.1,f=-5.2!) USER MOD Single : A 75 SER OG : rot 23:sc= 0.828 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 6.747 -5.005 17.057 1.00 0.00 N ATOM 67 CA ARG A 8 7.941 -4.590 16.331 1.00 0.00 C ATOM 68 C ARG A 8 7.570 -3.927 15.008 1.00 0.00 C ATOM 69 O ARG A 8 6.550 -4.256 14.402 1.00 0.00 O ATOM 70 CB ARG A 8 8.851 -5.792 16.073 1.00 0.00 C ATOM 71 CG ARG A 8 8.330 -6.731 14.998 1.00 0.00 C ATOM 72 CD ARG A 8 9.035 -8.078 15.044 1.00 0.00 C ATOM 73 NE ARG A 8 10.402 -7.997 14.537 1.00 0.00 N ATOM 74 CZ ARG A 8 11.076 -9.042 14.070 1.00 0.00 C ATOM 75 NH1 ARG A 8 10.512 -10.242 14.047 1.00 0.00 N ATOM 76 NH2 ARG A 8 12.317 -8.888 13.625 1.00 0.00 N ATOM 0 HA ARG A 8 8.474 -3.864 16.945 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.839 -5.434 15.783 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.974 -6.349 17.002 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.258 -6.876 15.129 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.473 -6.278 14.017 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.050 -8.445 16.070 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.472 -8.802 14.455 1.00 0.00 H new ATOM 0 HE ARG A 8 10.865 -7.088 14.542 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.559 -10.364 14.388 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.032 -11.043 13.688 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.754 -7.967 13.641 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.834 -9.691 13.267 1.00 0.00 H new ATOM 90 N MET A 9 8.404 -2.991 14.566 1.00 0.00 N ATOM 91 CA MET A 9 8.163 -2.283 13.314 1.00 0.00 C ATOM 92 C MET A 9 8.479 -3.173 12.116 1.00 0.00 C ATOM 93 O MET A 9 9.537 -3.800 12.058 1.00 0.00 O ATOM 94 CB MET A 9 9.008 -1.009 13.254 1.00 0.00 C ATOM 95 CG MET A 9 8.816 -0.095 14.454 1.00 0.00 C ATOM 96 SD MET A 9 7.451 1.062 14.235 1.00 0.00 S ATOM 97 CE MET A 9 6.046 -0.026 14.464 1.00 0.00 C ATOM 0 H MET A 9 9.252 -2.705 15.056 1.00 0.00 H new ATOM 0 HA MET A 9 7.108 -2.013 13.275 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.060 -1.284 13.182 1.00 0.00 H new ATOM 0 HB3 MET A 9 8.759 -0.460 12.346 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.635 -0.701 15.342 1.00 0.00 H new ATOM 0 HG3 MET A 9 9.735 0.463 14.631 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.264 0.500 15.011 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.663 -0.336 13.492 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.355 -0.905 15.029 1.00 0.00 H new ATOM 107 N LEU A 10 7.555 -3.224 11.163 1.00 0.00 N ATOM 108 CA LEU A 10 7.734 -4.038 9.966 1.00 0.00 C ATOM 109 C LEU A 10 7.993 -3.161 8.745 1.00 0.00 C ATOM 110 O LEU A 10 7.130 -2.387 8.330 1.00 0.00 O ATOM 111 CB LEU A 10 6.501 -4.910 9.729 1.00 0.00 C ATOM 112 CG LEU A 10 6.089 -5.819 10.888 1.00 0.00 C ATOM 113 CD1 LEU A 10 4.718 -6.424 10.630 1.00 0.00 C ATOM 114 CD2 LEU A 10 7.125 -6.913 11.102 1.00 0.00 C ATOM 0 H LEU A 10 6.674 -2.711 11.196 1.00 0.00 H new ATOM 0 HA LEU A 10 8.601 -4.680 10.120 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.661 -4.259 9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.684 -5.532 8.853 1.00 0.00 H new ATOM 0 HG LEU A 10 6.033 -5.217 11.795 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.441 -7.068 11.465 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.982 -5.627 10.527 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.747 -7.012 9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.815 -7.550 11.930 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.213 -7.513 10.196 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.089 -6.461 11.333 1.00 0.00 H new ATOM 126 N ASP A 11 9.186 -3.288 8.174 1.00 0.00 N ATOM 127 CA ASP A 11 9.557 -2.510 6.998 1.00 0.00 C ATOM 128 C ASP A 11 8.934 -3.100 5.736 1.00 0.00 C ATOM 129 O ASP A 11 9.260 -4.217 5.335 1.00 0.00 O ATOM 130 CB ASP A 11 11.079 -2.459 6.854 1.00 0.00 C ATOM 131 CG ASP A 11 11.521 -1.607 5.680 1.00 0.00 C ATOM 132 OD1 ASP A 11 11.300 -2.027 4.526 1.00 0.00 O ATOM 133 OD2 ASP A 11 12.089 -0.520 5.917 1.00 0.00 O ATOM 0 H ASP A 11 9.912 -3.922 8.507 1.00 0.00 H new ATOM 0 HA ASP A 11 9.177 -1.497 7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.515 -2.063 7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.463 -3.471 6.730 1.00 0.00 H new ATOM 138 N PHE A 12 8.036 -2.342 5.117 1.00 0.00 N ATOM 139 CA PHE A 12 7.365 -2.790 3.902 1.00 0.00 C ATOM 140 C PHE A 12 7.751 -1.916 2.713 1.00 0.00 C ATOM 141 O PHE A 12 7.357 -0.752 2.630 1.00 0.00 O ATOM 142 CB PHE A 12 5.847 -2.768 4.094 1.00 0.00 C ATOM 143 CG PHE A 12 5.328 -3.924 4.900 1.00 0.00 C ATOM 144 CD1 PHE A 12 5.179 -5.176 4.324 1.00 0.00 C ATOM 145 CD2 PHE A 12 4.987 -3.759 6.233 1.00 0.00 C ATOM 146 CE1 PHE A 12 4.702 -6.242 5.063 1.00 0.00 C ATOM 147 CE2 PHE A 12 4.510 -4.822 6.976 1.00 0.00 C ATOM 148 CZ PHE A 12 4.366 -6.064 6.391 1.00 0.00 C ATOM 0 H PHE A 12 7.756 -1.415 5.436 1.00 0.00 H new ATOM 0 HA PHE A 12 7.684 -3.812 3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.564 -1.837 4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.365 -2.772 3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.439 -5.320 3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.095 -2.789 6.696 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.592 -7.213 4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.250 -4.681 8.015 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.991 -6.895 6.970 1.00 0.00 H new ATOM 158 N ARG A 13 8.526 -2.484 1.795 1.00 0.00 N ATOM 159 CA ARG A 13 8.968 -1.757 0.611 1.00 0.00 C ATOM 160 C ARG A 13 7.935 -1.860 -0.508 1.00 0.00 C ATOM 161 O ARG A 13 7.812 -2.897 -1.160 1.00 0.00 O ATOM 162 CB ARG A 13 10.315 -2.297 0.127 1.00 0.00 C ATOM 163 CG ARG A 13 11.049 -1.353 -0.810 1.00 0.00 C ATOM 164 CD ARG A 13 12.049 -2.097 -1.680 1.00 0.00 C ATOM 165 NE ARG A 13 13.311 -2.334 -0.984 1.00 0.00 N ATOM 166 CZ ARG A 13 14.198 -3.247 -1.361 1.00 0.00 C ATOM 167 NH1 ARG A 13 13.963 -4.006 -2.423 1.00 0.00 N ATOM 168 NH2 ARG A 13 15.324 -3.403 -0.676 1.00 0.00 N ATOM 0 H ARG A 13 8.861 -3.446 1.848 1.00 0.00 H new ATOM 0 HA ARG A 13 9.082 -0.707 0.882 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.947 -2.501 0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.154 -3.248 -0.382 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.329 -0.835 -1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.568 -0.591 -0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.621 -3.051 -1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.238 -1.523 -2.587 1.00 0.00 H new ATOM 0 HE ARG A 13 13.522 -1.767 -0.163 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.099 -3.889 -2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.646 -4.707 -2.710 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.509 -2.821 0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.005 -4.105 -0.967 1.00 0.00 H new ATOM 182 N VAL A 14 7.194 -0.778 -0.724 1.00 0.00 N ATOM 183 CA VAL A 14 6.172 -0.747 -1.764 1.00 0.00 C ATOM 184 C VAL A 14 6.739 -0.216 -3.075 1.00 0.00 C ATOM 185 O VAL A 14 6.922 0.990 -3.241 1.00 0.00 O ATOM 186 CB VAL A 14 4.973 0.125 -1.346 1.00 0.00 C ATOM 187 CG1 VAL A 14 3.982 0.256 -2.493 1.00 0.00 C ATOM 188 CG2 VAL A 14 4.298 -0.455 -0.112 1.00 0.00 C ATOM 0 H VAL A 14 7.282 0.088 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 14 5.834 -1.773 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 14 5.339 1.121 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.142 0.875 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.474 0.719 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.619 -0.732 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.453 0.173 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.944 -1.462 -0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.013 -0.492 0.710 1.00 0.00 H new ATOM 198 N GLU A 15 7.015 -1.124 -4.005 1.00 0.00 N ATOM 199 CA GLU A 15 7.562 -0.747 -5.303 1.00 0.00 C ATOM 200 C GLU A 15 6.456 -0.282 -6.246 1.00 0.00 C ATOM 201 O GLU A 15 5.706 -1.094 -6.789 1.00 0.00 O ATOM 202 CB GLU A 15 8.317 -1.923 -5.926 1.00 0.00 C ATOM 203 CG GLU A 15 9.062 -1.563 -7.200 1.00 0.00 C ATOM 204 CD GLU A 15 9.277 -2.758 -8.108 1.00 0.00 C ATOM 205 OE1 GLU A 15 10.235 -3.522 -7.866 1.00 0.00 O ATOM 206 OE2 GLU A 15 8.488 -2.929 -9.061 1.00 0.00 O ATOM 0 H GLU A 15 6.869 -2.126 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 15 8.256 0.079 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.028 -2.314 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.610 -2.724 -6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.503 -0.798 -7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.028 -1.130 -6.941 1.00 0.00 H new ATOM 213 N TYR A 16 6.359 1.029 -6.434 1.00 0.00 N ATOM 214 CA TYR A 16 5.343 1.603 -7.308 1.00 0.00 C ATOM 215 C TYR A 16 5.984 2.325 -8.489 1.00 0.00 C ATOM 216 O TYR A 16 7.130 2.770 -8.411 1.00 0.00 O ATOM 217 CB TYR A 16 4.455 2.572 -6.525 1.00 0.00 C ATOM 218 CG TYR A 16 3.375 3.217 -7.364 1.00 0.00 C ATOM 219 CD1 TYR A 16 2.548 2.450 -8.176 1.00 0.00 C ATOM 220 CD2 TYR A 16 3.181 4.592 -7.344 1.00 0.00 C ATOM 221 CE1 TYR A 16 1.561 3.035 -8.945 1.00 0.00 C ATOM 222 CE2 TYR A 16 2.195 5.186 -8.108 1.00 0.00 C ATOM 223 CZ TYR A 16 1.388 4.403 -8.907 1.00 0.00 C ATOM 224 OH TYR A 16 0.404 4.989 -9.671 1.00 0.00 O ATOM 0 H TYR A 16 6.972 1.715 -5.993 1.00 0.00 H new ATOM 0 HA TYR A 16 4.730 0.788 -7.693 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.989 2.037 -5.697 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.079 3.352 -6.089 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.679 1.378 -8.206 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.812 5.208 -6.720 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.928 2.425 -9.572 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.057 6.257 -8.080 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.262 4.315 -9.920 1.00 0.00 H new ATOM 234 N ARG A 17 5.237 2.438 -9.582 1.00 0.00 N ATOM 235 CA ARG A 17 5.731 3.105 -10.780 1.00 0.00 C ATOM 236 C ARG A 17 6.643 4.273 -10.416 1.00 0.00 C ATOM 237 O ARG A 17 7.826 4.279 -10.754 1.00 0.00 O ATOM 238 CB ARG A 17 4.562 3.603 -11.632 1.00 0.00 C ATOM 239 CG ARG A 17 3.422 2.604 -11.744 1.00 0.00 C ATOM 240 CD ARG A 17 3.924 1.228 -12.153 1.00 0.00 C ATOM 241 NE ARG A 17 4.174 1.142 -13.589 1.00 0.00 N ATOM 242 CZ ARG A 17 4.237 -0.005 -14.256 1.00 0.00 C ATOM 243 NH1 ARG A 17 4.069 -1.156 -13.620 1.00 0.00 N ATOM 244 NH2 ARG A 17 4.469 -0.003 -15.563 1.00 0.00 N ATOM 0 H ARG A 17 4.287 2.076 -9.663 1.00 0.00 H new ATOM 0 HA ARG A 17 6.308 2.381 -11.355 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.181 4.530 -11.204 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.927 3.839 -12.632 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.903 2.534 -10.788 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.696 2.960 -12.475 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.842 1.001 -11.611 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.190 0.474 -11.867 1.00 0.00 H new ATOM 0 HE ARG A 17 4.308 2.010 -14.108 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.891 -1.162 -12.616 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.118 -2.035 -14.135 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.599 0.880 -16.057 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.517 -0.885 -16.074 1.00 0.00 H new ATOM 258 N ASP A 18 6.083 5.260 -9.725 1.00 0.00 N ATOM 259 CA ASP A 18 6.845 6.433 -9.313 1.00 0.00 C ATOM 260 C ASP A 18 8.173 6.025 -8.683 1.00 0.00 C ATOM 261 O ASP A 18 9.242 6.371 -9.187 1.00 0.00 O ATOM 262 CB ASP A 18 6.034 7.273 -8.325 1.00 0.00 C ATOM 263 CG ASP A 18 6.524 8.705 -8.244 1.00 0.00 C ATOM 264 OD1 ASP A 18 7.751 8.907 -8.126 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.681 9.625 -8.301 1.00 0.00 O ATOM 0 H ASP A 18 5.104 5.271 -9.438 1.00 0.00 H new ATOM 0 HA ASP A 18 7.053 7.031 -10.201 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.985 7.267 -8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.087 6.817 -7.336 1.00 0.00 H new ATOM 270 N ARG A 19 8.097 5.289 -7.580 1.00 0.00 N ATOM 271 CA ARG A 19 9.294 4.837 -6.880 1.00 0.00 C ATOM 272 C ARG A 19 8.929 3.912 -5.722 1.00 0.00 C ATOM 273 O ARG A 19 7.753 3.693 -5.437 1.00 0.00 O ATOM 274 CB ARG A 19 10.090 6.035 -6.359 1.00 0.00 C ATOM 275 CG ARG A 19 9.351 6.846 -5.307 1.00 0.00 C ATOM 276 CD ARG A 19 10.122 8.101 -4.930 1.00 0.00 C ATOM 277 NE ARG A 19 10.318 8.988 -6.074 1.00 0.00 N ATOM 278 CZ ARG A 19 11.177 10.001 -6.080 1.00 0.00 C ATOM 279 NH1 ARG A 19 11.917 10.253 -5.009 1.00 0.00 N ATOM 280 NH2 ARG A 19 11.299 10.763 -7.159 1.00 0.00 N ATOM 0 H ARG A 19 7.220 4.993 -7.151 1.00 0.00 H new ATOM 0 HA ARG A 19 9.910 4.281 -7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.030 5.680 -5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.341 6.685 -7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.366 7.122 -5.684 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.193 6.234 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.585 8.634 -4.146 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.092 7.821 -4.518 1.00 0.00 H new ATOM 0 HE ARG A 19 9.765 8.820 -6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.827 9.668 -4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.576 11.032 -5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.733 10.571 -7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.959 11.541 -7.162 1.00 0.00 H new ATOM 294 N ASN A 20 9.947 3.374 -5.058 1.00 0.00 N ATOM 295 CA ASN A 20 9.733 2.472 -3.932 1.00 0.00 C ATOM 296 C ASN A 20 9.736 3.240 -2.613 1.00 0.00 C ATOM 297 O ASN A 20 10.762 3.780 -2.198 1.00 0.00 O ATOM 298 CB ASN A 20 10.814 1.389 -3.907 1.00 0.00 C ATOM 299 CG ASN A 20 12.168 1.913 -4.346 1.00 0.00 C ATOM 300 OD1 ASN A 20 12.825 2.654 -3.616 1.00 0.00 O ATOM 301 ND2 ASN A 20 12.590 1.528 -5.545 1.00 0.00 N ATOM 0 H ASN A 20 10.927 3.547 -5.280 1.00 0.00 H new ATOM 0 HA ASN A 20 8.758 2.000 -4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.894 0.983 -2.899 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.517 0.568 -4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.493 1.848 -5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.011 0.912 -6.116 1.00 0.00 H new ATOM 308 N VAL A 21 8.581 3.283 -1.957 1.00 0.00 N ATOM 309 CA VAL A 21 8.449 3.982 -0.685 1.00 0.00 C ATOM 310 C VAL A 21 8.536 3.011 0.487 1.00 0.00 C ATOM 311 O VAL A 21 8.165 1.843 0.368 1.00 0.00 O ATOM 312 CB VAL A 21 7.118 4.752 -0.602 1.00 0.00 C ATOM 313 CG1 VAL A 21 5.945 3.785 -0.537 1.00 0.00 C ATOM 314 CG2 VAL A 21 7.117 5.686 0.599 1.00 0.00 C ATOM 0 H VAL A 21 7.722 2.841 -2.286 1.00 0.00 H new ATOM 0 HA VAL A 21 9.274 4.692 -0.627 1.00 0.00 H new ATOM 0 HB VAL A 21 7.011 5.356 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.013 4.347 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.937 3.161 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.043 3.153 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.169 6.222 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.247 5.105 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.934 6.401 0.504 1.00 0.00 H new ATOM 324 N ASP A 22 9.029 3.502 1.620 1.00 0.00 N ATOM 325 CA ASP A 22 9.163 2.678 2.815 1.00 0.00 C ATOM 326 C ASP A 22 8.018 2.940 3.788 1.00 0.00 C ATOM 327 O ASP A 22 7.707 4.089 4.102 1.00 0.00 O ATOM 328 CB ASP A 22 10.503 2.951 3.500 1.00 0.00 C ATOM 329 CG ASP A 22 10.552 2.404 4.914 1.00 0.00 C ATOM 330 OD1 ASP A 22 10.297 1.194 5.092 1.00 0.00 O ATOM 331 OD2 ASP A 22 10.847 3.186 5.842 1.00 0.00 O ATOM 0 H ASP A 22 9.342 4.466 1.735 1.00 0.00 H new ATOM 0 HA ASP A 22 9.125 1.632 2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.306 2.505 2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.684 4.026 3.523 1.00 0.00 H new ATOM 336 N VAL A 23 7.392 1.867 4.261 1.00 0.00 N ATOM 337 CA VAL A 23 6.280 1.981 5.197 1.00 0.00 C ATOM 338 C VAL A 23 6.576 1.237 6.495 1.00 0.00 C ATOM 339 O VAL A 23 7.182 0.165 6.484 1.00 0.00 O ATOM 340 CB VAL A 23 4.976 1.432 4.590 1.00 0.00 C ATOM 341 CG1 VAL A 23 3.835 1.537 5.591 1.00 0.00 C ATOM 342 CG2 VAL A 23 4.636 2.170 3.303 1.00 0.00 C ATOM 0 H VAL A 23 7.636 0.909 4.011 1.00 0.00 H new ATOM 0 HA VAL A 23 6.154 3.042 5.410 1.00 0.00 H new ATOM 0 HB VAL A 23 5.122 0.379 4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.922 1.144 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.079 0.961 6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.685 2.582 5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.711 1.769 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.508 3.232 3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.444 2.038 2.584 1.00 0.00 H new ATOM 352 N VAL A 24 6.144 1.812 7.612 1.00 0.00 N ATOM 353 CA VAL A 24 6.361 1.203 8.919 1.00 0.00 C ATOM 354 C VAL A 24 5.076 1.188 9.739 1.00 0.00 C ATOM 355 O VAL A 24 4.486 2.235 10.008 1.00 0.00 O ATOM 356 CB VAL A 24 7.453 1.947 9.711 1.00 0.00 C ATOM 357 CG1 VAL A 24 7.377 1.593 11.188 1.00 0.00 C ATOM 358 CG2 VAL A 24 8.830 1.628 9.148 1.00 0.00 C ATOM 0 H VAL A 24 5.641 2.699 7.638 1.00 0.00 H new ATOM 0 HA VAL A 24 6.686 0.178 8.740 1.00 0.00 H new ATOM 0 HB VAL A 24 7.284 3.019 9.610 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.156 2.128 11.731 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.401 1.877 11.580 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.520 0.520 11.313 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.589 2.162 9.719 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.012 0.555 9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.877 1.938 8.104 1.00 0.00 H new ATOM 368 N LEU A 25 4.647 -0.006 10.133 1.00 0.00 N ATOM 369 CA LEU A 25 3.430 -0.159 10.923 1.00 0.00 C ATOM 370 C LEU A 25 3.521 -1.382 11.831 1.00 0.00 C ATOM 371 O LEU A 25 4.010 -2.434 11.423 1.00 0.00 O ATOM 372 CB LEU A 25 2.214 -0.281 10.004 1.00 0.00 C ATOM 373 CG LEU A 25 1.974 -1.660 9.388 1.00 0.00 C ATOM 374 CD1 LEU A 25 0.612 -1.713 8.713 1.00 0.00 C ATOM 375 CD2 LEU A 25 3.077 -2.000 8.396 1.00 0.00 C ATOM 0 H LEU A 25 5.123 -0.882 9.919 1.00 0.00 H new ATOM 0 HA LEU A 25 3.318 0.727 11.548 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.326 0.002 10.570 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.320 0.442 9.196 1.00 0.00 H new ATOM 0 HG LEU A 25 1.990 -2.402 10.187 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.459 -2.702 8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.167 -1.514 9.449 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.567 -0.961 7.925 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.890 -2.985 7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.093 -1.255 7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.039 -2.004 8.909 1.00 0.00 H new ATOM 387 N GLU A 26 3.044 -1.234 13.063 1.00 0.00 N ATOM 388 CA GLU A 26 3.070 -2.327 14.028 1.00 0.00 C ATOM 389 C GLU A 26 2.379 -3.566 13.465 1.00 0.00 C ATOM 390 O GLU A 26 1.435 -3.462 12.682 1.00 0.00 O ATOM 391 CB GLU A 26 2.395 -1.902 15.333 1.00 0.00 C ATOM 392 CG GLU A 26 2.996 -2.550 16.569 1.00 0.00 C ATOM 393 CD GLU A 26 4.143 -1.745 17.150 1.00 0.00 C ATOM 394 OE1 GLU A 26 4.082 -0.499 17.095 1.00 0.00 O ATOM 395 OE2 GLU A 26 5.102 -2.363 17.659 1.00 0.00 O ATOM 0 H GLU A 26 2.635 -0.369 13.416 1.00 0.00 H new ATOM 0 HA GLU A 26 4.112 -2.573 14.231 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.464 -0.819 15.431 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.335 -2.151 15.282 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.221 -2.669 17.326 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.350 -3.549 16.315 1.00 0.00 H new ATOM 402 N ASP A 27 2.857 -4.738 13.869 1.00 0.00 N ATOM 403 CA ASP A 27 2.286 -5.998 13.407 1.00 0.00 C ATOM 404 C ASP A 27 0.817 -6.105 13.800 1.00 0.00 C ATOM 405 O ASP A 27 0.104 -7.001 13.346 1.00 0.00 O ATOM 406 CB ASP A 27 3.069 -7.179 13.983 1.00 0.00 C ATOM 407 CG ASP A 27 3.236 -7.084 15.486 1.00 0.00 C ATOM 408 OD1 ASP A 27 4.175 -6.395 15.937 1.00 0.00 O ATOM 409 OD2 ASP A 27 2.427 -7.699 16.212 1.00 0.00 O ATOM 0 H ASP A 27 3.639 -4.842 14.516 1.00 0.00 H new ATOM 0 HA ASP A 27 2.355 -6.023 12.319 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.555 -8.108 13.735 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.052 -7.224 13.513 1.00 0.00 H new ATOM 414 N THR A 28 0.368 -5.185 14.649 1.00 0.00 N ATOM 415 CA THR A 28 -1.016 -5.177 15.106 1.00 0.00 C ATOM 416 C THR A 28 -1.938 -4.564 14.058 1.00 0.00 C ATOM 417 O THR A 28 -3.104 -4.942 13.945 1.00 0.00 O ATOM 418 CB THR A 28 -1.168 -4.398 16.426 1.00 0.00 C ATOM 419 OG1 THR A 28 -0.388 -3.198 16.378 1.00 0.00 O ATOM 420 CG2 THR A 28 -0.730 -5.247 17.609 1.00 0.00 C ATOM 0 H THR A 28 0.943 -4.436 15.034 1.00 0.00 H new ATOM 0 HA THR A 28 -1.299 -6.216 15.272 1.00 0.00 H new ATOM 0 HB THR A 28 -2.220 -4.143 16.553 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.491 -2.707 17.220 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.846 -4.676 18.530 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.345 -6.146 17.659 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.316 -5.529 17.487 1.00 0.00 H new ATOM 428 N CYS A 29 -1.407 -3.616 13.293 1.00 0.00 N ATOM 429 CA CYS A 29 -2.183 -2.950 12.253 1.00 0.00 C ATOM 430 C CYS A 29 -2.706 -3.958 11.234 1.00 0.00 C ATOM 431 O CYS A 29 -2.122 -5.025 11.045 1.00 0.00 O ATOM 432 CB CYS A 29 -1.331 -1.892 11.550 1.00 0.00 C ATOM 433 SG CYS A 29 -1.264 -0.305 12.414 1.00 0.00 S ATOM 0 H CYS A 29 -0.443 -3.292 13.373 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.036 -2.464 12.727 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.317 -2.275 11.436 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.726 -1.731 10.547 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.519 0.523 11.744 1.00 0.00 H new ATOM 439 N THR A 30 -3.811 -3.612 10.581 1.00 0.00 N ATOM 440 CA THR A 30 -4.415 -4.487 9.584 1.00 0.00 C ATOM 441 C THR A 30 -3.771 -4.289 8.217 1.00 0.00 C ATOM 442 O THR A 30 -3.374 -3.180 7.861 1.00 0.00 O ATOM 443 CB THR A 30 -5.931 -4.242 9.466 1.00 0.00 C ATOM 444 OG1 THR A 30 -6.194 -2.837 9.372 1.00 0.00 O ATOM 445 CG2 THR A 30 -6.669 -4.823 10.662 1.00 0.00 C ATOM 0 H THR A 30 -4.306 -2.732 10.725 1.00 0.00 H new ATOM 0 HA THR A 30 -4.245 -5.511 9.917 1.00 0.00 H new ATOM 0 HB THR A 30 -6.288 -4.739 8.564 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.160 -2.689 9.296 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.738 -4.637 10.555 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.491 -5.897 10.713 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.308 -4.352 11.576 1.00 0.00 H new ATOM 453 N VAL A 31 -3.671 -5.372 7.453 1.00 0.00 N ATOM 454 CA VAL A 31 -3.076 -5.317 6.122 1.00 0.00 C ATOM 455 C VAL A 31 -3.682 -4.187 5.297 1.00 0.00 C ATOM 456 O VAL A 31 -3.005 -3.578 4.469 1.00 0.00 O ATOM 457 CB VAL A 31 -3.264 -6.646 5.368 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.376 -7.728 5.964 1.00 0.00 C ATOM 459 CG2 VAL A 31 -4.725 -7.071 5.392 1.00 0.00 C ATOM 0 H VAL A 31 -3.994 -6.298 7.732 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.010 -5.133 6.258 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.970 -6.499 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.522 -8.660 5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.332 -7.424 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.637 -7.876 7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.839 -8.012 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.049 -7.201 6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.335 -6.304 4.914 1.00 0.00 H new ATOM 469 N GLY A 32 -4.962 -3.912 5.528 1.00 0.00 N ATOM 470 CA GLY A 32 -5.637 -2.855 4.798 1.00 0.00 C ATOM 471 C GLY A 32 -5.014 -1.495 5.038 1.00 0.00 C ATOM 472 O GLY A 32 -4.981 -0.654 4.140 1.00 0.00 O ATOM 0 H GLY A 32 -5.543 -4.402 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.611 -3.080 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.686 -2.827 5.092 1.00 0.00 H new ATOM 476 N GLU A 33 -4.520 -1.278 6.253 1.00 0.00 N ATOM 477 CA GLU A 33 -3.897 -0.008 6.608 1.00 0.00 C ATOM 478 C GLU A 33 -2.876 0.411 5.554 1.00 0.00 C ATOM 479 O GLU A 33 -3.013 1.460 4.925 1.00 0.00 O ATOM 480 CB GLU A 33 -3.221 -0.111 7.977 1.00 0.00 C ATOM 481 CG GLU A 33 -3.195 1.200 8.743 1.00 0.00 C ATOM 482 CD GLU A 33 -4.519 1.937 8.684 1.00 0.00 C ATOM 483 OE1 GLU A 33 -5.400 1.641 9.517 1.00 0.00 O ATOM 484 OE2 GLU A 33 -4.672 2.810 7.804 1.00 0.00 O ATOM 0 H GLU A 33 -4.539 -1.964 7.007 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.678 0.751 6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.741 -0.861 8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.198 -0.464 7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.939 1.003 9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.410 1.838 8.337 1.00 0.00 H new ATOM 491 N ILE A 34 -1.853 -0.417 5.369 1.00 0.00 N ATOM 492 CA ILE A 34 -0.809 -0.133 4.391 1.00 0.00 C ATOM 493 C ILE A 34 -1.380 0.576 3.168 1.00 0.00 C ATOM 494 O ILE A 34 -0.780 1.515 2.645 1.00 0.00 O ATOM 495 CB ILE A 34 -0.097 -1.422 3.938 1.00 0.00 C ATOM 496 CG1 ILE A 34 0.392 -2.214 5.153 1.00 0.00 C ATOM 497 CG2 ILE A 34 1.064 -1.088 3.014 1.00 0.00 C ATOM 498 CD1 ILE A 34 1.237 -3.415 4.790 1.00 0.00 C ATOM 0 H ILE A 34 -1.725 -1.289 5.883 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.086 0.519 4.881 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.808 -2.039 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.972 -1.554 5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.470 -2.547 5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.557 -2.009 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.690 -0.561 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.778 -0.454 3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.549 -3.929 5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.654 -4.096 4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.118 -3.087 4.239 1.00 0.00 H new ATOM 510 N LYS A 35 -2.544 0.121 2.717 1.00 0.00 N ATOM 511 CA LYS A 35 -3.199 0.713 1.556 1.00 0.00 C ATOM 512 C LYS A 35 -3.490 2.192 1.791 1.00 0.00 C ATOM 513 O LYS A 35 -3.058 3.048 1.019 1.00 0.00 O ATOM 514 CB LYS A 35 -4.500 -0.030 1.245 1.00 0.00 C ATOM 515 CG LYS A 35 -4.320 -1.530 1.082 1.00 0.00 C ATOM 516 CD LYS A 35 -5.575 -2.185 0.528 1.00 0.00 C ATOM 517 CE LYS A 35 -5.563 -2.216 -0.992 1.00 0.00 C ATOM 518 NZ LYS A 35 -6.196 -1.002 -1.577 1.00 0.00 N ATOM 0 H LYS A 35 -3.053 -0.656 3.138 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.524 0.624 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.216 0.157 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.931 0.377 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.481 -1.726 0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.071 -1.975 2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.656 -3.201 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.454 -1.641 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.535 -2.295 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.090 -3.104 -1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.368 -1.155 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.100 -0.816 -1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.563 -0.186 -1.452 1.00 0.00 H new ATOM 532 N GLN A 36 -4.222 2.484 2.861 1.00 0.00 N ATOM 533 CA GLN A 36 -4.569 3.860 3.196 1.00 0.00 C ATOM 534 C GLN A 36 -3.320 4.673 3.519 1.00 0.00 C ATOM 535 O GLN A 36 -3.239 5.859 3.199 1.00 0.00 O ATOM 536 CB GLN A 36 -5.533 3.890 4.383 1.00 0.00 C ATOM 537 CG GLN A 36 -5.963 5.293 4.782 1.00 0.00 C ATOM 538 CD GLN A 36 -7.140 5.796 3.969 1.00 0.00 C ATOM 539 OE1 GLN A 36 -7.054 6.829 3.305 1.00 0.00 O ATOM 540 NE2 GLN A 36 -8.248 5.066 4.017 1.00 0.00 N ATOM 0 H GLN A 36 -4.586 1.787 3.510 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.057 4.307 2.330 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.418 3.304 4.136 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.059 3.407 5.238 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.227 5.301 5.840 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.122 5.976 4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.275 4.216 4.581 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.072 5.355 3.490 1.00 0.00 H new ATOM 549 N ILE A 37 -2.348 4.027 4.156 1.00 0.00 N ATOM 550 CA ILE A 37 -1.103 4.690 4.522 1.00 0.00 C ATOM 551 C ILE A 37 -0.371 5.206 3.287 1.00 0.00 C ATOM 552 O ILE A 37 0.186 6.304 3.295 1.00 0.00 O ATOM 553 CB ILE A 37 -0.169 3.745 5.300 1.00 0.00 C ATOM 554 CG1 ILE A 37 -0.774 3.405 6.664 1.00 0.00 C ATOM 555 CG2 ILE A 37 1.205 4.376 5.467 1.00 0.00 C ATOM 556 CD1 ILE A 37 -0.105 2.232 7.346 1.00 0.00 C ATOM 0 H ILE A 37 -2.399 3.046 4.429 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.370 5.531 5.162 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.056 2.821 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.705 4.279 7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.834 3.185 6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.853 3.695 6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.637 4.573 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.111 5.313 6.016 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.585 2.048 8.307 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.197 1.345 6.719 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.950 2.456 7.504 1.00 0.00 H new ATOM 568 N LEU A 38 -0.378 4.407 2.226 1.00 0.00 N ATOM 569 CA LEU A 38 0.283 4.782 0.981 1.00 0.00 C ATOM 570 C LEU A 38 -0.315 6.065 0.412 1.00 0.00 C ATOM 571 O LEU A 38 0.333 6.775 -0.357 1.00 0.00 O ATOM 572 CB LEU A 38 0.165 3.653 -0.044 1.00 0.00 C ATOM 573 CG LEU A 38 1.006 2.405 0.232 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.542 1.246 -0.637 1.00 0.00 C ATOM 575 CD2 LEU A 38 2.481 2.694 -0.003 1.00 0.00 C ATOM 0 H LEU A 38 -0.834 3.495 2.203 1.00 0.00 H new ATOM 0 HA LEU A 38 1.337 4.958 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.881 3.355 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.444 4.046 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 38 0.874 2.124 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.152 0.367 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.503 1.024 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.644 1.516 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.064 1.795 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.631 3.000 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.806 3.494 0.663 1.00 0.00 H new ATOM 587 N GLU A 39 -1.554 6.356 0.797 1.00 0.00 N ATOM 588 CA GLU A 39 -2.238 7.554 0.326 1.00 0.00 C ATOM 589 C GLU A 39 -1.753 8.789 1.079 1.00 0.00 C ATOM 590 O GLU A 39 -1.992 9.920 0.657 1.00 0.00 O ATOM 591 CB GLU A 39 -3.751 7.403 0.492 1.00 0.00 C ATOM 592 CG GLU A 39 -4.543 8.583 -0.044 1.00 0.00 C ATOM 593 CD GLU A 39 -6.024 8.483 0.268 1.00 0.00 C ATOM 594 OE1 GLU A 39 -6.685 7.575 -0.280 1.00 0.00 O ATOM 595 OE2 GLU A 39 -6.522 9.310 1.059 1.00 0.00 O ATOM 0 H GLU A 39 -2.104 5.779 1.433 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.007 7.681 -0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.075 6.496 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.981 7.272 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.147 9.505 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.407 8.647 -1.124 1.00 0.00 H new ATOM 602 N ASN A 40 -1.071 8.563 2.197 1.00 0.00 N ATOM 603 CA ASN A 40 -0.553 9.657 3.011 1.00 0.00 C ATOM 604 C ASN A 40 0.890 9.980 2.633 1.00 0.00 C ATOM 605 O ASN A 40 1.466 10.952 3.121 1.00 0.00 O ATOM 606 CB ASN A 40 -0.635 9.299 4.496 1.00 0.00 C ATOM 607 CG ASN A 40 -1.996 9.607 5.090 1.00 0.00 C ATOM 608 OD1 ASN A 40 -2.231 10.706 5.594 1.00 0.00 O ATOM 609 ND2 ASN A 40 -2.900 8.636 5.035 1.00 0.00 N ATOM 0 H ASN A 40 -0.864 7.633 2.560 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.166 10.539 2.823 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.417 8.239 4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.130 9.850 5.043 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.833 8.785 5.420 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.662 7.741 4.608 1.00 0.00 H new ATOM 616 N GLU A 41 1.466 9.159 1.761 1.00 0.00 N ATOM 617 CA GLU A 41 2.841 9.358 1.319 1.00 0.00 C ATOM 618 C GLU A 41 2.908 9.503 -0.199 1.00 0.00 C ATOM 619 O GLU A 41 3.748 10.233 -0.727 1.00 0.00 O ATOM 620 CB GLU A 41 3.719 8.189 1.770 1.00 0.00 C ATOM 621 CG GLU A 41 3.838 8.064 3.279 1.00 0.00 C ATOM 622 CD GLU A 41 4.734 9.129 3.883 1.00 0.00 C ATOM 623 OE1 GLU A 41 4.371 10.321 3.811 1.00 0.00 O ATOM 624 OE2 GLU A 41 5.798 8.768 4.429 1.00 0.00 O ATOM 0 H GLU A 41 1.002 8.350 1.347 1.00 0.00 H new ATOM 0 HA GLU A 41 3.212 10.277 1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.310 7.262 1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.715 8.308 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.846 8.133 3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.232 7.079 3.528 1.00 0.00 H new ATOM 631 N LEU A 42 2.019 8.802 -0.894 1.00 0.00 N ATOM 632 CA LEU A 42 1.977 8.852 -2.352 1.00 0.00 C ATOM 633 C LEU A 42 0.747 9.613 -2.835 1.00 0.00 C ATOM 634 O LEU A 42 0.577 9.839 -4.033 1.00 0.00 O ATOM 635 CB LEU A 42 1.975 7.436 -2.930 1.00 0.00 C ATOM 636 CG LEU A 42 3.139 6.537 -2.511 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.789 5.074 -2.727 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.400 6.905 -3.280 1.00 0.00 C ATOM 0 H LEU A 42 1.318 8.193 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 42 2.866 9.378 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.044 6.949 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.972 7.509 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 42 3.327 6.690 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.630 4.450 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.913 4.818 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.573 4.903 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.218 6.255 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.224 6.781 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.662 7.943 -3.074 1.00 0.00 H new ATOM 650 N GLN A 43 -0.106 10.007 -1.895 1.00 0.00 N ATOM 651 CA GLN A 43 -1.319 10.745 -2.227 1.00 0.00 C ATOM 652 C GLN A 43 -2.178 9.964 -3.216 1.00 0.00 C ATOM 653 O GLN A 43 -2.926 10.549 -4.000 1.00 0.00 O ATOM 654 CB GLN A 43 -0.966 12.114 -2.810 1.00 0.00 C ATOM 655 CG GLN A 43 -0.520 13.124 -1.764 1.00 0.00 C ATOM 656 CD GLN A 43 0.978 13.098 -1.530 1.00 0.00 C ATOM 657 OE1 GLN A 43 1.708 13.964 -2.011 1.00 0.00 O ATOM 658 NE2 GLN A 43 1.443 12.101 -0.787 1.00 0.00 N ATOM 0 H GLN A 43 0.020 9.828 -0.899 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.890 10.886 -1.309 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.172 11.992 -3.547 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.834 12.509 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.817 14.124 -2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.034 12.920 -0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.801 11.405 -0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.442 12.031 -0.595 1.00 0.00 H new ATOM 667 N ILE A 44 -2.065 8.641 -3.174 1.00 0.00 N ATOM 668 CA ILE A 44 -2.832 7.780 -4.066 1.00 0.00 C ATOM 669 C ILE A 44 -4.055 7.206 -3.360 1.00 0.00 C ATOM 670 O ILE A 44 -3.991 6.771 -2.210 1.00 0.00 O ATOM 671 CB ILE A 44 -1.974 6.621 -4.606 1.00 0.00 C ATOM 672 CG1 ILE A 44 -0.669 7.157 -5.200 1.00 0.00 C ATOM 673 CG2 ILE A 44 -2.749 5.828 -5.647 1.00 0.00 C ATOM 674 CD1 ILE A 44 0.204 6.083 -5.810 1.00 0.00 C ATOM 0 H ILE A 44 -1.450 8.142 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.156 8.401 -4.901 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.729 5.955 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.904 7.899 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.108 7.670 -4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.129 5.012 -6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.653 5.420 -5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.022 6.483 -6.475 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.111 6.536 -6.211 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.470 5.353 -5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.339 5.586 -6.614 1.00 0.00 H new ATOM 686 N PRO A 45 -5.197 7.202 -4.063 1.00 0.00 N ATOM 687 CA PRO A 45 -6.457 6.681 -3.524 1.00 0.00 C ATOM 688 C PRO A 45 -6.436 5.165 -3.363 1.00 0.00 C ATOM 689 O PRO A 45 -6.044 4.439 -4.276 1.00 0.00 O ATOM 690 CB PRO A 45 -7.490 7.093 -4.575 1.00 0.00 C ATOM 691 CG PRO A 45 -6.713 7.222 -5.840 1.00 0.00 C ATOM 692 CD PRO A 45 -5.347 7.705 -5.439 1.00 0.00 C ATOM 0 HA PRO A 45 -6.665 7.069 -2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.278 6.346 -4.669 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.972 8.034 -4.309 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.652 6.266 -6.360 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.191 7.925 -6.522 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.572 7.311 -6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.277 8.792 -5.479 1.00 0.00 H new ATOM 700 N VAL A 46 -6.861 4.692 -2.195 1.00 0.00 N ATOM 701 CA VAL A 46 -6.893 3.262 -1.916 1.00 0.00 C ATOM 702 C VAL A 46 -7.755 2.522 -2.932 1.00 0.00 C ATOM 703 O VAL A 46 -7.591 1.320 -3.142 1.00 0.00 O ATOM 704 CB VAL A 46 -7.430 2.979 -0.500 1.00 0.00 C ATOM 705 CG1 VAL A 46 -7.567 1.481 -0.270 1.00 0.00 C ATOM 706 CG2 VAL A 46 -6.525 3.607 0.549 1.00 0.00 C ATOM 0 H VAL A 46 -7.188 5.279 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.866 2.903 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.419 3.428 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.948 1.301 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.259 1.063 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.592 1.005 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.920 3.397 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.522 3.189 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.484 4.685 0.395 1.00 0.00 H new ATOM 716 N SER A 47 -8.674 3.248 -3.561 1.00 0.00 N ATOM 717 CA SER A 47 -9.565 2.660 -4.554 1.00 0.00 C ATOM 718 C SER A 47 -8.798 2.289 -5.820 1.00 0.00 C ATOM 719 O SER A 47 -9.127 1.314 -6.496 1.00 0.00 O ATOM 720 CB SER A 47 -10.695 3.633 -4.896 1.00 0.00 C ATOM 721 OG SER A 47 -11.399 4.026 -3.730 1.00 0.00 O ATOM 0 H SER A 47 -8.821 4.245 -3.400 1.00 0.00 H new ATOM 0 HA SER A 47 -9.993 1.752 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.284 4.513 -5.391 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.383 3.164 -5.599 1.00 0.00 H new ATOM 0 HG SER A 47 -12.115 4.649 -3.974 1.00 0.00 H new ATOM 727 N LYS A 48 -7.773 3.074 -6.135 1.00 0.00 N ATOM 728 CA LYS A 48 -6.957 2.830 -7.318 1.00 0.00 C ATOM 729 C LYS A 48 -5.806 1.882 -6.999 1.00 0.00 C ATOM 730 O LYS A 48 -5.322 1.162 -7.872 1.00 0.00 O ATOM 731 CB LYS A 48 -6.408 4.149 -7.866 1.00 0.00 C ATOM 732 CG LYS A 48 -7.489 5.128 -8.290 1.00 0.00 C ATOM 733 CD LYS A 48 -7.993 4.829 -9.692 1.00 0.00 C ATOM 734 CE LYS A 48 -9.302 5.549 -9.980 1.00 0.00 C ATOM 735 NZ LYS A 48 -10.479 4.766 -9.513 1.00 0.00 N ATOM 0 H LYS A 48 -7.488 3.885 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.589 2.365 -8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.784 4.617 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.765 3.938 -8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.320 5.081 -7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.096 6.144 -8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.242 5.132 -10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.135 3.754 -9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.296 6.523 -9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.389 5.731 -11.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.352 5.290 -9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.499 3.847 -9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.410 4.614 -8.487 1.00 0.00 H new ATOM 749 N MET A 49 -5.373 1.886 -5.742 1.00 0.00 N ATOM 750 CA MET A 49 -4.280 1.023 -5.308 1.00 0.00 C ATOM 751 C MET A 49 -4.771 -0.402 -5.078 1.00 0.00 C ATOM 752 O MET A 49 -5.901 -0.617 -4.635 1.00 0.00 O ATOM 753 CB MET A 49 -3.648 1.571 -4.027 1.00 0.00 C ATOM 754 CG MET A 49 -2.892 2.873 -4.230 1.00 0.00 C ATOM 755 SD MET A 49 -1.521 3.068 -3.076 1.00 0.00 S ATOM 756 CE MET A 49 -2.184 4.311 -1.969 1.00 0.00 C ATOM 0 H MET A 49 -5.762 2.477 -5.007 1.00 0.00 H new ATOM 0 HA MET A 49 -3.528 1.006 -6.097 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.430 1.727 -3.284 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.966 0.824 -3.620 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.511 2.912 -5.250 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.581 3.710 -4.115 1.00 0.00 H new ATOM 0 HE1 MET A 49 -1.465 5.123 -1.861 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.115 4.703 -2.378 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.376 3.864 -0.993 1.00 0.00 H new ATOM 766 N LEU A 50 -3.917 -1.373 -5.381 1.00 0.00 N ATOM 767 CA LEU A 50 -4.264 -2.780 -5.207 1.00 0.00 C ATOM 768 C LEU A 50 -3.127 -3.543 -4.536 1.00 0.00 C ATOM 769 O LEU A 50 -2.148 -3.916 -5.184 1.00 0.00 O ATOM 770 CB LEU A 50 -4.592 -3.415 -6.559 1.00 0.00 C ATOM 771 CG LEU A 50 -5.696 -2.736 -7.371 1.00 0.00 C ATOM 772 CD1 LEU A 50 -5.660 -3.204 -8.817 1.00 0.00 C ATOM 773 CD2 LEU A 50 -7.059 -3.011 -6.753 1.00 0.00 C ATOM 0 H LEU A 50 -2.979 -1.213 -5.748 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.142 -2.835 -4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.683 -3.430 -7.161 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.879 -4.453 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.523 -1.660 -7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.453 -2.710 -9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.694 -2.955 -9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.807 -4.283 -8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.832 -2.520 -7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.241 -4.086 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.081 -2.625 -5.734 1.00 0.00 H new ATOM 785 N LEU A 51 -3.263 -3.773 -3.234 1.00 0.00 N ATOM 786 CA LEU A 51 -2.248 -4.494 -2.475 1.00 0.00 C ATOM 787 C LEU A 51 -2.068 -5.910 -3.013 1.00 0.00 C ATOM 788 O LEU A 51 -3.041 -6.634 -3.222 1.00 0.00 O ATOM 789 CB LEU A 51 -2.629 -4.543 -0.994 1.00 0.00 C ATOM 790 CG LEU A 51 -1.466 -4.583 -0.002 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.422 -5.597 -0.445 1.00 0.00 C ATOM 792 CD2 LEU A 51 -0.843 -3.203 0.146 1.00 0.00 C ATOM 0 H LEU A 51 -4.066 -3.470 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.303 -3.962 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.243 -3.671 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.252 -5.422 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.853 -4.891 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.398 -5.612 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.876 -6.587 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.040 -5.320 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.017 -3.251 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.471 -2.866 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.594 -2.502 0.510 1.00 0.00 H new ATOM 804 N LYS A 52 -0.817 -6.299 -3.233 1.00 0.00 N ATOM 805 CA LYS A 52 -0.508 -7.630 -3.743 1.00 0.00 C ATOM 806 C LYS A 52 0.909 -8.044 -3.360 1.00 0.00 C ATOM 807 O LYS A 52 1.696 -7.229 -2.881 1.00 0.00 O ATOM 808 CB LYS A 52 -0.667 -7.665 -5.264 1.00 0.00 C ATOM 809 CG LYS A 52 -2.106 -7.517 -5.729 1.00 0.00 C ATOM 810 CD LYS A 52 -2.237 -7.763 -7.223 1.00 0.00 C ATOM 811 CE LYS A 52 -3.639 -7.444 -7.719 1.00 0.00 C ATOM 812 NZ LYS A 52 -3.817 -7.807 -9.152 1.00 0.00 N ATOM 0 H LYS A 52 -0.000 -5.711 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.208 -8.335 -3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.069 -6.866 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.267 -8.606 -5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.739 -8.220 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.465 -6.516 -5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.512 -7.150 -7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.000 -8.804 -7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.369 -7.982 -7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.838 -6.380 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.785 -7.574 -9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.138 -7.274 -9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.653 -8.827 -9.275 1.00 0.00 H new ATOM 826 N GLY A 53 1.228 -9.317 -3.576 1.00 0.00 N ATOM 827 CA GLY A 53 2.551 -9.816 -3.248 1.00 0.00 C ATOM 828 C GLY A 53 2.524 -10.840 -2.131 1.00 0.00 C ATOM 829 O GLY A 53 3.385 -11.717 -2.064 1.00 0.00 O ATOM 0 H GLY A 53 0.594 -10.011 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.998 -10.263 -4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.189 -8.981 -2.956 1.00 0.00 H new ATOM 833 N TRP A 54 1.535 -10.728 -1.252 1.00 0.00 N ATOM 834 CA TRP A 54 1.401 -11.651 -0.131 1.00 0.00 C ATOM 835 C TRP A 54 1.743 -13.075 -0.555 1.00 0.00 C ATOM 836 O TRP A 54 1.226 -13.578 -1.553 1.00 0.00 O ATOM 837 CB TRP A 54 -0.020 -11.600 0.432 1.00 0.00 C ATOM 838 CG TRP A 54 -0.454 -10.221 0.826 1.00 0.00 C ATOM 839 CD1 TRP A 54 -1.240 -9.371 0.103 1.00 0.00 C ATOM 840 CD2 TRP A 54 -0.123 -9.532 2.037 1.00 0.00 C ATOM 841 NE1 TRP A 54 -1.419 -8.195 0.791 1.00 0.00 N ATOM 842 CE2 TRP A 54 -0.744 -8.269 1.981 1.00 0.00 C ATOM 843 CE3 TRP A 54 0.636 -9.860 3.164 1.00 0.00 C ATOM 844 CZ2 TRP A 54 -0.627 -7.336 3.007 1.00 0.00 C ATOM 845 CZ3 TRP A 54 0.751 -8.932 4.182 1.00 0.00 C ATOM 846 CH2 TRP A 54 0.122 -7.683 4.099 1.00 0.00 C ATOM 0 H TRP A 54 0.814 -10.007 -1.294 1.00 0.00 H new ATOM 0 HA TRP A 54 2.102 -11.345 0.645 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.712 -11.992 -0.313 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.082 -12.255 1.301 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.660 -9.591 -0.868 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.966 -7.397 0.468 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.124 -10.821 3.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.110 -6.372 2.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.336 -9.174 5.057 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.230 -6.980 4.912 1.00 0.00 H new ATOM 912 N VAL A 59 -4.522 -12.048 0.235 1.00 0.00 N ATOM 913 CA VAL A 59 -4.840 -11.562 1.573 1.00 0.00 C ATOM 914 C VAL A 59 -5.946 -10.514 1.528 1.00 0.00 C ATOM 915 O VAL A 59 -6.022 -9.717 0.594 1.00 0.00 O ATOM 916 CB VAL A 59 -3.601 -10.956 2.259 1.00 0.00 C ATOM 917 CG1 VAL A 59 -3.973 -10.373 3.614 1.00 0.00 C ATOM 918 CG2 VAL A 59 -2.506 -12.003 2.402 1.00 0.00 C ATOM 0 HA VAL A 59 -5.181 -12.422 2.150 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.220 -10.148 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.085 -9.949 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.721 -9.591 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.379 -11.160 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.638 -11.558 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.873 -12.834 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.221 -12.369 1.415 1.00 0.00 H new ATOM 928 N GLU A 60 -6.802 -10.522 2.545 1.00 0.00 N ATOM 929 CA GLU A 60 -7.905 -9.571 2.622 1.00 0.00 C ATOM 930 C GLU A 60 -7.570 -8.423 3.569 1.00 0.00 C ATOM 931 O GLU A 60 -6.921 -8.621 4.597 1.00 0.00 O ATOM 932 CB GLU A 60 -9.182 -10.274 3.087 1.00 0.00 C ATOM 933 CG GLU A 60 -9.019 -11.029 4.396 1.00 0.00 C ATOM 934 CD GLU A 60 -10.281 -11.761 4.809 1.00 0.00 C ATOM 935 OE1 GLU A 60 -10.670 -12.715 4.104 1.00 0.00 O ATOM 936 OE2 GLU A 60 -10.880 -11.380 5.836 1.00 0.00 O ATOM 0 H GLU A 60 -6.753 -11.176 3.326 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.067 -9.161 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.974 -9.533 3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.506 -10.970 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.203 -11.746 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.736 -10.329 5.182 1.00 0.00 H new ATOM 943 N ASP A 61 -8.015 -7.223 3.215 1.00 0.00 N ATOM 944 CA ASP A 61 -7.763 -6.042 4.033 1.00 0.00 C ATOM 945 C ASP A 61 -8.269 -6.249 5.456 1.00 0.00 C ATOM 946 O ASP A 61 -7.927 -5.491 6.364 1.00 0.00 O ATOM 947 CB ASP A 61 -8.432 -4.814 3.413 1.00 0.00 C ATOM 948 CG ASP A 61 -8.518 -4.902 1.902 1.00 0.00 C ATOM 949 OD1 ASP A 61 -7.484 -5.190 1.264 1.00 0.00 O ATOM 950 OD2 ASP A 61 -9.621 -4.684 1.358 1.00 0.00 O ATOM 0 H ASP A 61 -8.552 -7.042 2.367 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.686 -5.879 4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.435 -4.703 3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.873 -3.920 3.691 1.00 0.00 H new ATOM 955 N SER A 62 -9.088 -7.279 5.644 1.00 0.00 N ATOM 956 CA SER A 62 -9.646 -7.583 6.957 1.00 0.00 C ATOM 957 C SER A 62 -8.721 -8.512 7.738 1.00 0.00 C ATOM 958 O SER A 62 -9.132 -9.137 8.716 1.00 0.00 O ATOM 959 CB SER A 62 -11.027 -8.223 6.811 1.00 0.00 C ATOM 960 OG SER A 62 -11.814 -8.007 7.970 1.00 0.00 O ATOM 0 H SER A 62 -9.380 -7.917 4.904 1.00 0.00 H new ATOM 0 HA SER A 62 -9.744 -6.648 7.509 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.534 -7.807 5.940 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.919 -9.293 6.635 1.00 0.00 H new ATOM 0 HG SER A 62 -11.307 -8.277 8.764 1.00 0.00 H new ATOM 966 N THR A 63 -7.469 -8.597 7.300 1.00 0.00 N ATOM 967 CA THR A 63 -6.486 -9.449 7.955 1.00 0.00 C ATOM 968 C THR A 63 -5.460 -8.619 8.718 1.00 0.00 C ATOM 969 O THR A 63 -5.242 -7.447 8.409 1.00 0.00 O ATOM 970 CB THR A 63 -5.752 -10.345 6.939 1.00 0.00 C ATOM 971 OG1 THR A 63 -6.694 -11.166 6.240 1.00 0.00 O ATOM 972 CG2 THR A 63 -4.725 -11.224 7.636 1.00 0.00 C ATOM 0 H THR A 63 -7.112 -8.085 6.493 1.00 0.00 H new ATOM 0 HA THR A 63 -7.032 -10.080 8.656 1.00 0.00 H new ATOM 0 HB THR A 63 -5.234 -9.702 6.228 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.220 -11.731 5.595 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.220 -11.848 6.899 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.993 -10.596 8.143 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.226 -11.859 8.367 1.00 0.00 H new ATOM 980 N VAL A 64 -4.830 -9.233 9.714 1.00 0.00 N ATOM 981 CA VAL A 64 -3.825 -8.551 10.520 1.00 0.00 C ATOM 982 C VAL A 64 -2.425 -9.064 10.202 1.00 0.00 C ATOM 983 O VAL A 64 -2.228 -10.257 9.967 1.00 0.00 O ATOM 984 CB VAL A 64 -4.096 -8.730 12.026 1.00 0.00 C ATOM 985 CG1 VAL A 64 -3.110 -7.913 12.847 1.00 0.00 C ATOM 986 CG2 VAL A 64 -5.529 -8.343 12.358 1.00 0.00 C ATOM 0 H VAL A 64 -4.998 -10.203 9.982 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.886 -7.491 10.271 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.959 -9.781 12.280 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.317 -8.052 13.908 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.094 -8.243 12.629 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.211 -6.858 12.593 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.704 -8.475 13.426 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.696 -7.300 12.090 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.216 -8.976 11.797 1.00 0.00 H new ATOM 996 N LEU A 65 -1.455 -8.157 10.197 1.00 0.00 N ATOM 997 CA LEU A 65 -0.071 -8.517 9.909 1.00 0.00 C ATOM 998 C LEU A 65 0.387 -9.670 10.796 1.00 0.00 C ATOM 999 O LEU A 65 0.795 -10.723 10.304 1.00 0.00 O ATOM 1000 CB LEU A 65 0.844 -7.308 10.111 1.00 0.00 C ATOM 1001 CG LEU A 65 0.414 -6.017 9.414 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.876 -4.804 10.206 1.00 0.00 C ATOM 1003 CD2 LEU A 65 0.960 -5.969 7.995 1.00 0.00 C ATOM 0 H LEU A 65 -1.601 -7.166 10.389 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.014 -8.838 8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.922 -7.111 11.180 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.842 -7.571 9.761 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.675 -6.000 9.363 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.561 -3.894 9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.436 -4.831 11.203 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.963 -4.816 10.289 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.644 -5.043 7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.049 -6.010 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.579 -6.820 7.430 1.00 0.00 H new ATOM 1015 N LYS A 66 0.316 -9.466 12.107 1.00 0.00 N ATOM 1016 CA LYS A 66 0.720 -10.489 13.064 1.00 0.00 C ATOM 1017 C LYS A 66 0.057 -11.825 12.745 1.00 0.00 C ATOM 1018 O LYS A 66 0.577 -12.885 13.091 1.00 0.00 O ATOM 1019 CB LYS A 66 0.360 -10.056 14.487 1.00 0.00 C ATOM 1020 CG LYS A 66 -1.077 -10.363 14.871 1.00 0.00 C ATOM 1021 CD LYS A 66 -1.555 -9.469 16.003 1.00 0.00 C ATOM 1022 CE LYS A 66 -2.743 -10.078 16.731 1.00 0.00 C ATOM 1023 NZ LYS A 66 -3.961 -10.113 15.874 1.00 0.00 N ATOM 0 H LYS A 66 -0.018 -8.601 12.531 1.00 0.00 H new ATOM 0 HA LYS A 66 1.800 -10.613 12.991 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.029 -10.553 15.189 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.533 -8.984 14.586 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.723 -10.229 14.003 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.159 -11.408 15.172 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.740 -9.306 16.708 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.832 -8.493 15.605 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.494 -11.090 17.049 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.950 -9.502 17.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.748 -10.535 16.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.214 -9.145 15.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.772 -10.684 15.025 1.00 0.00 H new ATOM 1037 N SER A 67 -1.094 -11.766 12.083 1.00 0.00 N ATOM 1038 CA SER A 67 -1.830 -12.972 11.719 1.00 0.00 C ATOM 1039 C SER A 67 -1.035 -13.814 10.726 1.00 0.00 C ATOM 1040 O SER A 67 -1.020 -15.043 10.808 1.00 0.00 O ATOM 1041 CB SER A 67 -3.189 -12.605 11.121 1.00 0.00 C ATOM 1042 OG SER A 67 -4.149 -13.615 11.377 1.00 0.00 O ATOM 0 H SER A 67 -1.537 -10.896 11.788 1.00 0.00 H new ATOM 0 HA SER A 67 -1.986 -13.559 12.624 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.531 -11.659 11.541 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.089 -12.458 10.046 1.00 0.00 H new ATOM 0 HG SER A 67 -5.009 -13.355 10.986 1.00 0.00 H new ATOM 1048 N LEU A 68 -0.375 -13.145 9.788 1.00 0.00 N ATOM 1049 CA LEU A 68 0.424 -13.830 8.777 1.00 0.00 C ATOM 1050 C LEU A 68 1.855 -14.038 9.263 1.00 0.00 C ATOM 1051 O LEU A 68 2.588 -14.871 8.728 1.00 0.00 O ATOM 1052 CB LEU A 68 0.427 -13.031 7.473 1.00 0.00 C ATOM 1053 CG LEU A 68 -0.928 -12.871 6.781 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -0.874 -11.748 5.757 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -1.347 -14.177 6.122 1.00 0.00 C ATOM 0 H LEU A 68 -0.377 -12.128 9.706 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.024 -14.807 8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.827 -12.038 7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.114 -13.513 6.777 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.672 -12.613 7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.846 -11.648 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.619 -10.813 6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.118 -11.977 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.313 -14.045 5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.602 -14.465 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.426 -14.957 6.879 1.00 0.00 H new ATOM 1067 N HIS A 69 2.245 -13.278 10.281 1.00 0.00 N ATOM 1068 CA HIS A 69 3.588 -13.381 10.841 1.00 0.00 C ATOM 1069 C HIS A 69 4.641 -13.008 9.801 1.00 0.00 C ATOM 1070 O HIS A 69 5.556 -13.784 9.523 1.00 0.00 O ATOM 1071 CB HIS A 69 3.842 -14.798 11.355 1.00 0.00 C ATOM 1072 CG HIS A 69 2.922 -15.206 12.464 1.00 0.00 C ATOM 1073 ND1 HIS A 69 3.051 -14.745 13.757 1.00 0.00 N ATOM 1074 CD2 HIS A 69 1.854 -16.038 12.468 1.00 0.00 C ATOM 1075 CE1 HIS A 69 2.103 -15.275 14.508 1.00 0.00 C ATOM 1076 NE2 HIS A 69 1.363 -16.064 13.750 1.00 0.00 N ATOM 0 H HIS A 69 1.651 -12.584 10.735 1.00 0.00 H new ATOM 0 HA HIS A 69 3.662 -12.682 11.674 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.735 -15.500 10.528 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.872 -14.870 11.703 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.461 -16.580 11.621 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.957 -15.094 15.563 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.558 -16.605 14.066 1.00 0.00 H new ATOM 1085 N LEU A 70 4.504 -11.817 9.228 1.00 0.00 N ATOM 1086 CA LEU A 70 5.442 -11.341 8.218 1.00 0.00 C ATOM 1087 C LEU A 70 6.844 -11.199 8.801 1.00 0.00 C ATOM 1088 O LEU A 70 7.026 -10.822 9.959 1.00 0.00 O ATOM 1089 CB LEU A 70 4.975 -10.000 7.650 1.00 0.00 C ATOM 1090 CG LEU A 70 3.880 -10.067 6.585 1.00 0.00 C ATOM 1091 CD1 LEU A 70 4.162 -11.191 5.600 1.00 0.00 C ATOM 1092 CD2 LEU A 70 2.516 -10.253 7.233 1.00 0.00 C ATOM 0 H LEU A 70 3.752 -11.163 9.446 1.00 0.00 H new ATOM 0 HA LEU A 70 5.475 -12.076 7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.615 -9.385 8.474 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.838 -9.488 7.224 1.00 0.00 H new ATOM 0 HG LEU A 70 3.874 -9.124 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.372 -11.224 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.120 -11.015 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.196 -12.141 6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.749 -10.298 6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.509 -11.180 7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.312 -9.414 7.898 1.00 0.00 H new ATOM 1104 N PRO A 71 7.861 -11.504 7.981 1.00 0.00 N ATOM 1105 CA PRO A 71 9.265 -11.415 8.393 1.00 0.00 C ATOM 1106 C PRO A 71 9.723 -9.973 8.583 1.00 0.00 C ATOM 1107 O PRO A 71 9.119 -9.043 8.047 1.00 0.00 O ATOM 1108 CB PRO A 71 10.018 -12.067 7.231 1.00 0.00 C ATOM 1109 CG PRO A 71 9.121 -11.892 6.053 1.00 0.00 C ATOM 1110 CD PRO A 71 7.718 -11.960 6.588 1.00 0.00 C ATOM 0 HA PRO A 71 9.439 -11.897 9.355 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.984 -11.589 7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.213 -13.121 7.427 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.305 -10.937 5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.294 -12.672 5.311 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.041 -11.319 6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.317 -12.972 6.536 1.00 0.00 H new ATOM 1118 N LYS A 72 10.794 -9.793 9.348 1.00 0.00 N ATOM 1119 CA LYS A 72 11.335 -8.465 9.608 1.00 0.00 C ATOM 1120 C LYS A 72 11.399 -7.643 8.325 1.00 0.00 C ATOM 1121 O LYS A 72 11.066 -6.458 8.318 1.00 0.00 O ATOM 1122 CB LYS A 72 12.730 -8.572 10.228 1.00 0.00 C ATOM 1123 CG LYS A 72 13.265 -7.251 10.754 1.00 0.00 C ATOM 1124 CD LYS A 72 14.782 -7.195 10.681 1.00 0.00 C ATOM 1125 CE LYS A 72 15.255 -6.623 9.354 1.00 0.00 C ATOM 1126 NZ LYS A 72 15.424 -7.683 8.321 1.00 0.00 N ATOM 0 H LYS A 72 11.305 -10.552 9.799 1.00 0.00 H new ATOM 0 HA LYS A 72 10.670 -7.960 10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.701 -9.294 11.044 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.421 -8.963 9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.841 -6.430 10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.944 -7.113 11.786 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.164 -6.584 11.499 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.191 -8.197 10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.537 -5.883 9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.202 -6.104 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.049 -7.335 7.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.845 -8.528 8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.497 -7.926 7.918 1.00 0.00 H new ATOM 1140 N ASN A 73 11.827 -8.280 7.240 1.00 0.00 N ATOM 1141 CA ASN A 73 11.933 -7.607 5.950 1.00 0.00 C ATOM 1142 C ASN A 73 10.788 -8.015 5.028 1.00 0.00 C ATOM 1143 O ASN A 73 10.491 -9.200 4.877 1.00 0.00 O ATOM 1144 CB ASN A 73 13.275 -7.933 5.291 1.00 0.00 C ATOM 1145 CG ASN A 73 13.208 -7.861 3.777 1.00 0.00 C ATOM 1146 OD1 ASN A 73 12.842 -6.831 3.210 1.00 0.00 O ATOM 1147 ND2 ASN A 73 13.561 -8.957 3.116 1.00 0.00 N ATOM 0 H ASN A 73 12.106 -9.261 7.228 1.00 0.00 H new ATOM 0 HA ASN A 73 11.872 -6.532 6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 73 14.033 -7.237 5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.591 -8.932 5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 73 13.535 -8.968 2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.858 -9.788 3.628 1.00 0.00 H new ATOM 1154 N ASN A 74 10.149 -7.025 4.413 1.00 0.00 N ATOM 1155 CA ASN A 74 9.036 -7.281 3.506 1.00 0.00 C ATOM 1156 C ASN A 74 9.122 -6.383 2.275 1.00 0.00 C ATOM 1157 O ASN A 74 9.651 -5.274 2.338 1.00 0.00 O ATOM 1158 CB ASN A 74 7.704 -7.056 4.223 1.00 0.00 C ATOM 1159 CG ASN A 74 7.449 -8.086 5.306 1.00 0.00 C ATOM 1160 OD1 ASN A 74 7.223 -9.262 5.019 1.00 0.00 O ATOM 1161 ND2 ASN A 74 7.486 -7.648 6.559 1.00 0.00 N ATOM 0 H ASN A 74 10.383 -6.039 4.526 1.00 0.00 H new ATOM 0 HA ASN A 74 9.095 -8.320 3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.696 -6.059 4.664 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.893 -7.089 3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.323 -8.295 7.330 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.677 -6.664 6.750 1.00 0.00 H new ATOM 1168 N SER A 75 8.596 -6.872 1.156 1.00 0.00 N ATOM 1169 CA SER A 75 8.616 -6.116 -0.091 1.00 0.00 C ATOM 1170 C SER A 75 7.305 -6.291 -0.853 1.00 0.00 C ATOM 1171 O SER A 75 6.988 -7.384 -1.323 1.00 0.00 O ATOM 1172 CB SER A 75 9.790 -6.563 -0.965 1.00 0.00 C ATOM 1173 OG SER A 75 9.635 -7.909 -1.378 1.00 0.00 O ATOM 0 H SER A 75 8.151 -7.787 1.088 1.00 0.00 H new ATOM 0 HA SER A 75 8.736 -5.061 0.155 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.863 -5.917 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.722 -6.455 -0.410 1.00 0.00 H new ATOM 0 HG SER A 75 8.688 -8.157 -1.337 1.00 0.00 H new ATOM 1179 N LEU A 76 6.548 -5.206 -0.971 1.00 0.00 N ATOM 1180 CA LEU A 76 5.271 -5.238 -1.675 1.00 0.00 C ATOM 1181 C LEU A 76 5.298 -4.320 -2.894 1.00 0.00 C ATOM 1182 O LEU A 76 6.300 -3.656 -3.160 1.00 0.00 O ATOM 1183 CB LEU A 76 4.137 -4.822 -0.736 1.00 0.00 C ATOM 1184 CG LEU A 76 3.873 -5.752 0.449 1.00 0.00 C ATOM 1185 CD1 LEU A 76 3.038 -5.046 1.506 1.00 0.00 C ATOM 1186 CD2 LEU A 76 3.181 -7.025 -0.016 1.00 0.00 C ATOM 0 H LEU A 76 6.796 -4.294 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 76 5.098 -6.259 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.358 -3.827 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.220 -4.740 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 76 4.831 -6.024 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.860 -5.723 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.571 -4.164 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.084 -4.744 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.001 -7.675 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.230 -6.772 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.815 -7.542 -0.736 1.00 0.00 H new ATOM 1198 N TYR A 77 4.192 -4.288 -3.628 1.00 0.00 N ATOM 1199 CA TYR A 77 4.089 -3.452 -4.818 1.00 0.00 C ATOM 1200 C TYR A 77 2.637 -3.072 -5.093 1.00 0.00 C ATOM 1201 O TYR A 77 1.725 -3.876 -4.901 1.00 0.00 O ATOM 1202 CB TYR A 77 4.675 -4.179 -6.030 1.00 0.00 C ATOM 1203 CG TYR A 77 4.056 -5.535 -6.281 1.00 0.00 C ATOM 1204 CD1 TYR A 77 2.912 -5.665 -7.059 1.00 0.00 C ATOM 1205 CD2 TYR A 77 4.614 -6.687 -5.739 1.00 0.00 C ATOM 1206 CE1 TYR A 77 2.343 -6.902 -7.290 1.00 0.00 C ATOM 1207 CE2 TYR A 77 4.052 -7.928 -5.966 1.00 0.00 C ATOM 1208 CZ TYR A 77 2.916 -8.030 -6.742 1.00 0.00 C ATOM 1209 OH TYR A 77 2.352 -9.265 -6.971 1.00 0.00 O ATOM 0 H TYR A 77 3.354 -4.831 -3.420 1.00 0.00 H new ATOM 0 HA TYR A 77 4.657 -2.539 -4.640 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.540 -3.558 -6.916 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.749 -4.300 -5.886 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.460 -4.784 -7.490 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.502 -6.610 -5.130 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.454 -6.985 -7.897 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.499 -8.813 -5.539 1.00 0.00 H new ATOM 0 HH TYR A 77 2.878 -9.955 -6.515 1.00 0.00 H new ATOM 1219 N VAL A 78 2.431 -1.839 -5.545 1.00 0.00 N ATOM 1220 CA VAL A 78 1.091 -1.350 -5.848 1.00 0.00 C ATOM 1221 C VAL A 78 0.845 -1.320 -7.353 1.00 0.00 C ATOM 1222 O VAL A 78 1.742 -0.999 -8.134 1.00 0.00 O ATOM 1223 CB VAL A 78 0.865 0.061 -5.274 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -0.444 0.643 -5.787 1.00 0.00 C ATOM 1225 CG2 VAL A 78 0.883 0.026 -3.754 1.00 0.00 C ATOM 0 H VAL A 78 3.175 -1.161 -5.709 1.00 0.00 H new ATOM 0 HA VAL A 78 0.389 -2.040 -5.381 1.00 0.00 H new ATOM 0 HB VAL A 78 1.677 0.706 -5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.587 1.640 -5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.413 0.705 -6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.271 0.001 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.722 1.031 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.092 -0.633 -3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.848 -0.346 -3.410 1.00 0.00 H new ATOM 1235 N LEU A 79 -0.376 -1.657 -7.753 1.00 0.00 N ATOM 1236 CA LEU A 79 -0.742 -1.668 -9.166 1.00 0.00 C ATOM 1237 C LEU A 79 -2.061 -0.937 -9.392 1.00 0.00 C ATOM 1238 O LEU A 79 -3.128 -1.426 -9.018 1.00 0.00 O ATOM 1239 CB LEU A 79 -0.850 -3.107 -9.673 1.00 0.00 C ATOM 1240 CG LEU A 79 0.341 -4.017 -9.369 1.00 0.00 C ATOM 1241 CD1 LEU A 79 -0.060 -5.479 -9.489 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.503 -3.703 -10.301 1.00 0.00 C ATOM 0 H LEU A 79 -1.129 -1.926 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 79 0.039 -1.150 -9.723 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.745 -3.557 -9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.995 -3.081 -10.753 1.00 0.00 H new ATOM 0 HG LEU A 79 0.663 -3.833 -8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.800 -6.111 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.860 -5.696 -8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.408 -5.679 -10.503 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.342 -4.360 -10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.193 -3.859 -11.334 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.807 -2.665 -10.166 1.00 0.00 H new ATOM 1254 N THR A 80 -1.982 0.238 -10.010 1.00 0.00 N ATOM 1255 CA THR A 80 -3.169 1.037 -10.288 1.00 0.00 C ATOM 1256 C THR A 80 -3.563 0.943 -11.757 1.00 0.00 C ATOM 1257 O THR A 80 -3.049 1.668 -12.610 1.00 0.00 O ATOM 1258 CB THR A 80 -2.949 2.516 -9.920 1.00 0.00 C ATOM 1259 OG1 THR A 80 -1.818 3.034 -10.629 1.00 0.00 O ATOM 1260 CG2 THR A 80 -2.732 2.676 -8.423 1.00 0.00 C ATOM 0 H THR A 80 -1.108 0.657 -10.327 1.00 0.00 H new ATOM 0 HA THR A 80 -3.973 0.633 -9.673 1.00 0.00 H new ATOM 0 HB THR A 80 -3.842 3.074 -10.203 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.870 2.764 -11.570 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.579 3.729 -8.188 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.607 2.308 -7.887 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.854 2.105 -8.120 1.00 0.00 H new ATOM 1268 N PRO A 81 -4.497 0.030 -12.063 1.00 0.00 N ATOM 1269 CA PRO A 81 -4.981 -0.179 -13.431 1.00 0.00 C ATOM 1270 C PRO A 81 -5.820 0.991 -13.934 1.00 0.00 C ATOM 1271 O PRO A 81 -5.595 1.502 -15.031 1.00 0.00 O ATOM 1272 CB PRO A 81 -5.840 -1.441 -13.314 1.00 0.00 C ATOM 1273 CG PRO A 81 -6.279 -1.470 -11.891 1.00 0.00 C ATOM 1274 CD PRO A 81 -5.152 -0.868 -11.098 1.00 0.00 C ATOM 0 HA PRO A 81 -4.162 -0.269 -14.144 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.694 -1.403 -13.991 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.269 -2.334 -13.570 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.199 -0.902 -11.755 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.483 -2.490 -11.566 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.519 -0.324 -10.228 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.467 -1.632 -10.731 1.00 0.00 H new ATOM 1282 N ASP A 82 -6.787 1.411 -13.126 1.00 0.00 N ATOM 1283 CA ASP A 82 -7.658 2.522 -13.488 1.00 0.00 C ATOM 1284 C ASP A 82 -6.871 3.826 -13.569 1.00 0.00 C ATOM 1285 O ASP A 82 -6.816 4.467 -14.620 1.00 0.00 O ATOM 1286 CB ASP A 82 -8.794 2.660 -12.473 1.00 0.00 C ATOM 1287 CG ASP A 82 -9.752 1.486 -12.513 1.00 0.00 C ATOM 1288 OD1 ASP A 82 -9.374 0.395 -12.036 1.00 0.00 O ATOM 1289 OD2 ASP A 82 -10.880 1.657 -13.021 1.00 0.00 O ATOM 0 H ASP A 82 -6.987 0.998 -12.215 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.082 2.313 -14.470 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.373 2.748 -11.471 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.344 3.580 -12.670 1.00 0.00 H new ATOM 1294 N LEU A 83 -6.263 4.215 -12.453 1.00 0.00 N ATOM 1295 CA LEU A 83 -5.479 5.444 -12.397 1.00 0.00 C ATOM 1296 C LEU A 83 -4.533 5.541 -13.590 1.00 0.00 C ATOM 1297 O LEU A 83 -3.751 4.633 -13.869 1.00 0.00 O ATOM 1298 CB LEU A 83 -4.681 5.504 -11.093 1.00 0.00 C ATOM 1299 CG LEU A 83 -4.345 6.903 -10.576 1.00 0.00 C ATOM 1300 CD1 LEU A 83 -5.552 7.520 -9.885 1.00 0.00 C ATOM 1301 CD2 LEU A 83 -3.156 6.850 -9.629 1.00 0.00 C ATOM 0 H LEU A 83 -6.298 3.697 -11.575 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.168 6.288 -12.433 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.244 4.979 -10.321 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.749 4.957 -11.235 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.079 7.530 -11.427 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.295 8.516 -9.523 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.378 7.593 -10.592 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.849 6.894 -9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.931 7.855 -9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.394 6.207 -8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.289 6.450 -10.155 1.00 0.00 H new