USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 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 84 LYS NZ :NH3+ -126:sc= 0.052 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HE2:sc= -2.62! C(o=-3.6!,f=-4.3!) USER MOD Set 1.3: A 93 SER OG : rot -140:sc= -1.06 USER MOD Set 2.1: A 15 THR OG1 : rot -169:sc= 0.00743 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.0072 X(o=0.015,f=-0.00024) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -57:sc= 0.00535 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc=-0.00893 K(o=-0.0089,f=-1.6!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.503 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.854) USER MOD Single : A 48 HIS : no HD1:sc= -0.936! C(o=-0.94!,f=-4.1!) USER MOD Single : A 49 SER OG : rot -77:sc= 0.0823 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -4.04 USER MOD Single : A 58 HIS : no HD1:sc=-0.00749 X(o=-0.0075,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -152:sc= 0.29 USER MOD Single : A 74 HIS : no HE2:sc= -1.77! C(o=-1.8!,f=-3.5!) USER MOD Single : A 76 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.33) USER MOD Single : A 79 HIS : no HE2:sc= -9.09! C(o=-9.1!,f=-13!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.438 K(o=-0.44,f=-7.4!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -163:sc= -0.0141 (180deg=-0.145) USER MOD ----------------------------------------------------------------- ATOM 89 N ASP A 10 -5.366 17.455 -3.115 1.00 0.00 N ATOM 90 CA ASP A 10 -5.419 16.600 -4.296 1.00 0.00 C ATOM 91 C ASP A 10 -5.381 15.127 -3.902 1.00 0.00 C ATOM 92 O ASP A 10 -4.524 14.373 -4.361 1.00 0.00 O ATOM 93 CB ASP A 10 -4.256 16.920 -5.236 1.00 0.00 C ATOM 94 CG ASP A 10 -4.501 18.171 -6.056 1.00 0.00 C ATOM 95 OD1 ASP A 10 -4.334 19.282 -5.508 1.00 0.00 O ATOM 96 OD2 ASP A 10 -4.859 18.041 -7.245 1.00 0.00 O ATOM 0 HA ASP A 10 -6.358 16.795 -4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.344 17.045 -4.652 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.092 16.076 -5.906 1.00 0.00 H new ATOM 101 N ALA A 11 -6.316 14.724 -3.047 1.00 0.00 N ATOM 102 CA ALA A 11 -6.390 13.341 -2.592 1.00 0.00 C ATOM 103 C ALA A 11 -7.021 12.447 -3.654 1.00 0.00 C ATOM 104 O ALA A 11 -6.571 11.323 -3.880 1.00 0.00 O ATOM 105 CB ALA A 11 -7.176 13.254 -1.292 1.00 0.00 C ATOM 0 H ALA A 11 -7.032 15.336 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.374 12.988 -2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.223 12.216 -0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.682 13.854 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.186 13.630 -1.452 1.00 0.00 H new ATOM 111 N ARG A 12 -8.065 12.952 -4.303 1.00 0.00 N ATOM 112 CA ARG A 12 -8.758 12.197 -5.340 1.00 0.00 C ATOM 113 C ARG A 12 -7.930 12.145 -6.620 1.00 0.00 C ATOM 114 O ARG A 12 -8.335 11.534 -7.609 1.00 0.00 O ATOM 115 CB ARG A 12 -10.124 12.823 -5.628 1.00 0.00 C ATOM 116 CG ARG A 12 -10.043 14.148 -6.369 1.00 0.00 C ATOM 117 CD ARG A 12 -11.340 14.933 -6.248 1.00 0.00 C ATOM 118 NE ARG A 12 -11.137 16.361 -6.477 1.00 0.00 N ATOM 119 CZ ARG A 12 -10.651 17.191 -5.560 1.00 0.00 C ATOM 120 NH1 ARG A 12 -10.319 16.737 -4.360 1.00 0.00 N ATOM 121 NH2 ARG A 12 -10.496 18.478 -5.844 1.00 0.00 N ATOM 0 H ARG A 12 -8.449 13.881 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.901 11.178 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.718 12.123 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.651 12.975 -4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.219 14.740 -5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.824 13.965 -7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.064 14.550 -6.967 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.765 14.781 -5.256 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.382 16.742 -7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.436 15.748 -4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.946 17.376 -3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.750 18.831 -6.767 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.123 19.114 -5.140 1.00 0.00 H new ATOM 135 N ARG A 13 -6.769 12.791 -6.594 1.00 0.00 N ATOM 136 CA ARG A 13 -5.884 12.820 -7.753 1.00 0.00 C ATOM 137 C ARG A 13 -4.693 11.888 -7.551 1.00 0.00 C ATOM 138 O ARG A 13 -3.542 12.284 -7.740 1.00 0.00 O ATOM 139 CB ARG A 13 -5.392 14.245 -8.010 1.00 0.00 C ATOM 140 CG ARG A 13 -6.377 15.098 -8.793 1.00 0.00 C ATOM 141 CD ARG A 13 -7.332 15.837 -7.869 1.00 0.00 C ATOM 142 NE ARG A 13 -7.908 17.018 -8.507 1.00 0.00 N ATOM 143 CZ ARG A 13 -8.856 16.962 -9.435 1.00 0.00 C ATOM 144 NH1 ARG A 13 -9.334 15.790 -9.830 1.00 0.00 N ATOM 145 NH2 ARG A 13 -9.330 18.080 -9.969 1.00 0.00 N ATOM 0 H ARG A 13 -6.419 13.301 -5.783 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.450 12.476 -8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.187 14.727 -7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.449 14.202 -8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.832 15.817 -9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.945 14.466 -9.475 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.133 15.164 -7.562 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.802 16.136 -6.964 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.563 17.935 -8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.973 14.928 -9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.062 15.750 -10.543 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.966 18.984 -9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.058 18.036 -10.682 1.00 0.00 H new ATOM 159 N LEU A 14 -4.977 10.648 -7.167 1.00 0.00 N ATOM 160 CA LEU A 14 -3.930 9.659 -6.939 1.00 0.00 C ATOM 161 C LEU A 14 -4.303 8.317 -7.561 1.00 0.00 C ATOM 162 O LEU A 14 -5.424 7.833 -7.396 1.00 0.00 O ATOM 163 CB LEU A 14 -3.681 9.487 -5.440 1.00 0.00 C ATOM 164 CG LEU A 14 -2.676 10.453 -4.811 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.364 11.745 -4.398 1.00 0.00 C ATOM 166 CD2 LEU A 14 -1.991 9.806 -3.616 1.00 0.00 C ATOM 0 H LEU A 14 -5.924 10.304 -7.007 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.017 10.018 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.633 9.594 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.335 8.469 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.916 10.692 -5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.633 12.420 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.807 12.217 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.145 11.525 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.279 10.508 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.739 9.538 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.464 8.909 -3.941 1.00 0.00 H new ATOM 178 N THR A 15 -3.356 7.718 -8.277 1.00 0.00 N ATOM 179 CA THR A 15 -3.585 6.432 -8.923 1.00 0.00 C ATOM 180 C THR A 15 -2.663 5.360 -8.355 1.00 0.00 C ATOM 181 O THR A 15 -1.441 5.509 -8.362 1.00 0.00 O ATOM 182 CB THR A 15 -3.370 6.523 -10.446 1.00 0.00 C ATOM 183 OG1 THR A 15 -3.696 7.838 -10.909 1.00 0.00 O ATOM 184 CG2 THR A 15 -4.225 5.496 -11.175 1.00 0.00 C ATOM 0 H THR A 15 -2.423 8.103 -8.424 1.00 0.00 H new ATOM 0 HA THR A 15 -4.621 6.158 -8.725 1.00 0.00 H new ATOM 0 HB THR A 15 -2.321 6.314 -10.656 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.726 7.842 -11.889 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.057 5.579 -12.249 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.954 4.494 -10.841 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.277 5.678 -10.958 1.00 0.00 H new ATOM 192 N VAL A 16 -3.255 4.277 -7.862 1.00 0.00 N ATOM 193 CA VAL A 16 -2.487 3.178 -7.290 1.00 0.00 C ATOM 194 C VAL A 16 -2.134 2.143 -8.353 1.00 0.00 C ATOM 195 O VAL A 16 -3.008 1.449 -8.872 1.00 0.00 O ATOM 196 CB VAL A 16 -3.259 2.485 -6.151 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.422 1.372 -5.539 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.669 3.499 -5.094 1.00 0.00 C ATOM 0 H VAL A 16 -4.265 4.137 -7.847 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.570 3.609 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.164 2.040 -6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.983 0.894 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.183 0.634 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.499 1.790 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.213 2.993 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.779 3.974 -4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.309 4.257 -5.546 1.00 0.00 H new ATOM 208 N MET A 17 -0.848 2.044 -8.671 1.00 0.00 N ATOM 209 CA MET A 17 -0.379 1.092 -9.671 1.00 0.00 C ATOM 210 C MET A 17 0.253 -0.127 -9.007 1.00 0.00 C ATOM 211 O MET A 17 0.308 -0.219 -7.781 1.00 0.00 O ATOM 212 CB MET A 17 0.630 1.758 -10.608 1.00 0.00 C ATOM 213 CG MET A 17 -0.014 2.494 -11.771 1.00 0.00 C ATOM 214 SD MET A 17 -0.842 1.382 -12.924 1.00 0.00 S ATOM 215 CE MET A 17 -2.123 2.455 -13.568 1.00 0.00 C ATOM 0 H MET A 17 -0.112 2.611 -8.251 1.00 0.00 H new ATOM 0 HA MET A 17 -1.240 0.761 -10.253 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.236 2.460 -10.036 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.306 0.998 -10.999 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.736 3.214 -11.385 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.749 3.061 -12.304 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.722 1.909 -14.297 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.762 2.790 -12.751 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.666 3.320 -14.049 1.00 0.00 H new ATOM 225 N SER A 18 0.730 -1.060 -9.825 1.00 0.00 N ATOM 226 CA SER A 18 1.355 -2.276 -9.316 1.00 0.00 C ATOM 227 C SER A 18 0.677 -2.738 -8.030 1.00 0.00 C ATOM 228 O SER A 18 1.343 -3.073 -7.049 1.00 0.00 O ATOM 229 CB SER A 18 2.846 -2.041 -9.065 1.00 0.00 C ATOM 230 OG SER A 18 3.555 -3.267 -9.018 1.00 0.00 O ATOM 0 H SER A 18 0.696 -0.997 -10.843 1.00 0.00 H new ATOM 0 HA SER A 18 1.239 -3.057 -10.067 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.256 -1.410 -9.854 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.980 -1.504 -8.126 1.00 0.00 H new ATOM 0 HG SER A 18 3.172 -3.840 -8.321 1.00 0.00 H new ATOM 236 N LEU A 19 -0.651 -2.752 -8.041 1.00 0.00 N ATOM 237 CA LEU A 19 -1.421 -3.173 -6.876 1.00 0.00 C ATOM 238 C LEU A 19 -2.105 -4.512 -7.130 1.00 0.00 C ATOM 239 O LEU A 19 -2.923 -4.639 -8.041 1.00 0.00 O ATOM 240 CB LEU A 19 -2.466 -2.113 -6.521 1.00 0.00 C ATOM 241 CG LEU A 19 -3.293 -2.381 -5.263 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.603 -1.802 -4.037 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.693 -1.804 -5.412 1.00 0.00 C ATOM 0 H LEU A 19 -1.217 -2.477 -8.844 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.732 -3.291 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.958 -1.156 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.148 -2.007 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.379 -3.460 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.206 -2.002 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.622 -2.263 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.486 -0.725 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.267 -2.004 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.628 -0.727 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.188 -2.266 -6.266 1.00 0.00 H new ATOM 255 N GLN A 20 -1.766 -5.508 -6.318 1.00 0.00 N ATOM 256 CA GLN A 20 -2.349 -6.837 -6.454 1.00 0.00 C ATOM 257 C GLN A 20 -3.788 -6.855 -5.949 1.00 0.00 C ATOM 258 O GLN A 20 -4.180 -6.020 -5.135 1.00 0.00 O ATOM 259 CB GLN A 20 -1.515 -7.865 -5.688 1.00 0.00 C ATOM 260 CG GLN A 20 -1.650 -9.281 -6.224 1.00 0.00 C ATOM 261 CD GLN A 20 -0.767 -9.535 -7.430 1.00 0.00 C ATOM 262 OE1 GLN A 20 -1.251 -9.638 -8.557 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.537 -9.638 -7.198 1.00 0.00 N ATOM 0 H GLN A 20 -1.090 -5.420 -5.559 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.351 -7.098 -7.512 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.466 -7.570 -5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.812 -7.853 -4.639 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.395 -9.990 -5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.690 -9.466 -6.494 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.895 -9.546 -6.247 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.181 -9.809 -7.971 1.00 0.00 H new ATOM 272 N GLU A 21 -4.571 -7.812 -6.439 1.00 0.00 N ATOM 273 CA GLU A 21 -5.967 -7.937 -6.037 1.00 0.00 C ATOM 274 C GLU A 21 -6.178 -9.183 -5.182 1.00 0.00 C ATOM 275 O GLU A 21 -6.475 -9.088 -3.991 1.00 0.00 O ATOM 276 CB GLU A 21 -6.872 -7.991 -7.270 1.00 0.00 C ATOM 277 CG GLU A 21 -6.952 -6.676 -8.026 1.00 0.00 C ATOM 278 CD GLU A 21 -5.789 -6.479 -8.978 1.00 0.00 C ATOM 279 OE1 GLU A 21 -5.408 -7.454 -9.660 1.00 0.00 O ATOM 280 OE2 GLU A 21 -5.259 -5.350 -9.043 1.00 0.00 O ATOM 0 H GLU A 21 -4.262 -8.511 -7.114 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.227 -7.062 -5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.507 -8.766 -7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.875 -8.284 -6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.886 -6.640 -8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.976 -5.852 -7.313 1.00 0.00 H new ATOM 287 N SER A 22 -6.022 -10.350 -5.799 1.00 0.00 N ATOM 288 CA SER A 22 -6.200 -11.615 -5.096 1.00 0.00 C ATOM 289 C SER A 22 -5.027 -12.554 -5.362 1.00 0.00 C ATOM 290 O SER A 22 -5.190 -13.772 -5.410 1.00 0.00 O ATOM 291 CB SER A 22 -7.508 -12.282 -5.525 1.00 0.00 C ATOM 292 OG SER A 22 -7.401 -12.824 -6.830 1.00 0.00 O ATOM 0 H SER A 22 -5.773 -10.446 -6.783 1.00 0.00 H new ATOM 0 HA SER A 22 -6.241 -11.405 -4.027 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.765 -13.072 -4.820 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.318 -11.553 -5.496 1.00 0.00 H new ATOM 0 HG SER A 22 -8.250 -13.246 -7.080 1.00 0.00 H new ATOM 298 N GLY A 23 -3.842 -11.976 -5.535 1.00 0.00 N ATOM 299 CA GLY A 23 -2.658 -12.774 -5.794 1.00 0.00 C ATOM 300 C GLY A 23 -1.509 -12.424 -4.869 1.00 0.00 C ATOM 301 O GLY A 23 -0.346 -12.453 -5.273 1.00 0.00 O ATOM 0 H GLY A 23 -3.681 -10.969 -5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.903 -13.830 -5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.345 -12.629 -6.828 1.00 0.00 H new ATOM 305 N LEU A 24 -1.834 -12.090 -3.625 1.00 0.00 N ATOM 306 CA LEU A 24 -0.820 -11.732 -2.640 1.00 0.00 C ATOM 307 C LEU A 24 -0.100 -12.973 -2.122 1.00 0.00 C ATOM 308 O LEU A 24 -0.551 -14.099 -2.334 1.00 0.00 O ATOM 309 CB LEU A 24 -1.459 -10.975 -1.474 1.00 0.00 C ATOM 310 CG LEU A 24 -1.634 -9.468 -1.667 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.397 -8.865 -0.498 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.282 -8.790 -1.830 1.00 0.00 C ATOM 0 H LEU A 24 -2.792 -12.060 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.088 -11.088 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.438 -11.412 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.851 -11.139 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.213 -9.303 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.512 -7.792 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.381 -9.329 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.846 -9.041 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.426 -7.718 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.322 -8.964 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.228 -9.201 -2.701 1.00 0.00 H new ATOM 324 N LYS A 25 1.020 -12.760 -1.440 1.00 0.00 N ATOM 325 CA LYS A 25 1.801 -13.860 -0.888 1.00 0.00 C ATOM 326 C LYS A 25 2.015 -13.677 0.611 1.00 0.00 C ATOM 327 O LYS A 25 2.639 -12.708 1.046 1.00 0.00 O ATOM 328 CB LYS A 25 3.153 -13.960 -1.598 1.00 0.00 C ATOM 329 CG LYS A 25 3.038 -14.187 -3.096 1.00 0.00 C ATOM 330 CD LYS A 25 4.401 -14.384 -3.736 1.00 0.00 C ATOM 331 CE LYS A 25 4.855 -15.833 -3.648 1.00 0.00 C ATOM 332 NZ LYS A 25 6.035 -16.099 -4.517 1.00 0.00 N ATOM 0 H LYS A 25 1.407 -11.835 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 25 1.244 -14.783 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.716 -13.044 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.725 -14.777 -1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.416 -15.062 -3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.538 -13.335 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.361 -14.077 -4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.131 -13.742 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.104 -16.073 -2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.035 -16.489 -3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.313 -17.097 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.790 -15.894 -5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.826 -15.492 -4.223 1.00 0.00 H new ATOM 346 N VAL A 26 1.496 -14.614 1.398 1.00 0.00 N ATOM 347 CA VAL A 26 1.632 -14.557 2.848 1.00 0.00 C ATOM 348 C VAL A 26 3.090 -14.706 3.269 1.00 0.00 C ATOM 349 O VAL A 26 3.848 -15.461 2.662 1.00 0.00 O ATOM 350 CB VAL A 26 0.796 -15.654 3.535 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.665 -15.545 3.127 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.350 -17.031 3.202 1.00 0.00 C ATOM 0 H VAL A 26 0.977 -15.422 1.055 1.00 0.00 H new ATOM 0 HA VAL A 26 1.263 -13.580 3.162 1.00 0.00 H new ATOM 0 HB VAL A 26 0.858 -15.513 4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.240 -16.328 3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.053 -14.569 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.751 -15.660 2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.748 -17.794 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.318 -17.185 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.381 -17.102 3.549 1.00 0.00 H new ATOM 362 N ASN A 27 3.476 -13.981 4.314 1.00 0.00 N ATOM 363 CA ASN A 27 4.844 -14.033 4.817 1.00 0.00 C ATOM 364 C ASN A 27 5.836 -13.603 3.741 1.00 0.00 C ATOM 365 O ASN A 27 6.969 -14.081 3.702 1.00 0.00 O ATOM 366 CB ASN A 27 5.178 -15.445 5.301 1.00 0.00 C ATOM 367 CG ASN A 27 4.562 -15.755 6.651 1.00 0.00 C ATOM 368 OD1 ASN A 27 5.078 -15.344 7.691 1.00 0.00 O ATOM 369 ND2 ASN A 27 3.452 -16.484 6.641 1.00 0.00 N ATOM 0 H ASN A 27 2.861 -13.351 4.829 1.00 0.00 H new ATOM 0 HA ASN A 27 4.923 -13.341 5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.824 -16.170 4.568 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.260 -15.558 5.364 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.992 -16.725 7.519 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.059 -16.803 5.755 1.00 0.00 H new ATOM 376 N GLN A 28 5.400 -12.699 2.870 1.00 0.00 N ATOM 377 CA GLN A 28 6.250 -12.205 1.793 1.00 0.00 C ATOM 378 C GLN A 28 6.073 -10.702 1.605 1.00 0.00 C ATOM 379 O GLN A 28 4.977 -10.159 1.744 1.00 0.00 O ATOM 380 CB GLN A 28 5.931 -12.935 0.487 1.00 0.00 C ATOM 381 CG GLN A 28 6.331 -14.402 0.496 1.00 0.00 C ATOM 382 CD GLN A 28 7.789 -14.612 0.139 1.00 0.00 C ATOM 383 OE1 GLN A 28 8.685 -14.134 0.835 1.00 0.00 O ATOM 384 NE2 GLN A 28 8.034 -15.329 -0.951 1.00 0.00 N ATOM 0 H GLN A 28 4.464 -12.294 2.889 1.00 0.00 H new ATOM 0 HA GLN A 28 7.287 -12.399 2.066 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.861 -12.860 0.290 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.442 -12.433 -0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.139 -14.821 1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.706 -14.949 -0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.260 -15.706 -1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.996 -15.503 -1.241 1.00 0.00 H new ATOM 393 N PRO A 29 7.177 -10.011 1.282 1.00 0.00 N ATOM 394 CA PRO A 29 7.169 -8.561 1.068 1.00 0.00 C ATOM 395 C PRO A 29 6.431 -8.167 -0.207 1.00 0.00 C ATOM 396 O PRO A 29 6.839 -8.531 -1.309 1.00 0.00 O ATOM 397 CB PRO A 29 8.655 -8.211 0.955 1.00 0.00 C ATOM 398 CG PRO A 29 9.306 -9.468 0.489 1.00 0.00 C ATOM 399 CD PRO A 29 8.517 -10.593 1.099 1.00 0.00 C ATOM 0 HA PRO A 29 6.652 -8.034 1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.817 -7.396 0.250 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.060 -7.888 1.914 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.299 -9.531 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.349 -9.507 0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.490 -11.465 0.446 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.947 -10.917 2.047 1.00 0.00 H new ATOM 407 N ALA A 30 5.343 -7.420 -0.048 1.00 0.00 N ATOM 408 CA ALA A 30 4.550 -6.975 -1.187 1.00 0.00 C ATOM 409 C ALA A 30 4.370 -5.461 -1.172 1.00 0.00 C ATOM 410 O ALA A 30 3.719 -4.912 -0.282 1.00 0.00 O ATOM 411 CB ALA A 30 3.196 -7.669 -1.190 1.00 0.00 C ATOM 0 H ALA A 30 4.991 -7.111 0.858 1.00 0.00 H new ATOM 0 HA ALA A 30 5.085 -7.242 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.614 -7.327 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.340 -8.747 -1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.663 -7.430 -0.270 1.00 0.00 H new ATOM 417 N SER A 31 4.951 -4.790 -2.161 1.00 0.00 N ATOM 418 CA SER A 31 4.858 -3.338 -2.259 1.00 0.00 C ATOM 419 C SER A 31 4.172 -2.924 -3.557 1.00 0.00 C ATOM 420 O SER A 31 4.033 -3.724 -4.482 1.00 0.00 O ATOM 421 CB SER A 31 6.252 -2.711 -2.183 1.00 0.00 C ATOM 422 OG SER A 31 6.176 -1.296 -2.215 1.00 0.00 O ATOM 0 H SER A 31 5.492 -5.229 -2.906 1.00 0.00 H new ATOM 0 HA SER A 31 4.259 -2.979 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.749 -3.031 -1.267 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.860 -3.065 -3.016 1.00 0.00 H new ATOM 0 HG SER A 31 7.079 -0.919 -2.163 1.00 0.00 H new ATOM 428 N PHE A 32 3.745 -1.667 -3.618 1.00 0.00 N ATOM 429 CA PHE A 32 3.072 -1.145 -4.801 1.00 0.00 C ATOM 430 C PHE A 32 3.467 0.307 -5.055 1.00 0.00 C ATOM 431 O PHE A 32 3.967 0.991 -4.162 1.00 0.00 O ATOM 432 CB PHE A 32 1.554 -1.251 -4.640 1.00 0.00 C ATOM 433 CG PHE A 32 1.051 -0.705 -3.335 1.00 0.00 C ATOM 434 CD1 PHE A 32 0.941 0.661 -3.136 1.00 0.00 C ATOM 435 CD2 PHE A 32 0.687 -1.559 -2.306 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.477 1.167 -1.937 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.222 -1.059 -1.104 1.00 0.00 C ATOM 438 CZ PHE A 32 0.118 0.306 -0.919 1.00 0.00 C ATOM 0 H PHE A 32 3.853 -0.991 -2.862 1.00 0.00 H new ATOM 0 HA PHE A 32 3.382 -1.743 -5.658 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.072 -0.717 -5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.260 -2.297 -4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.221 1.339 -3.928 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.768 -2.627 -2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.395 2.235 -1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.060 -1.735 -0.310 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.243 0.699 0.020 1.00 0.00 H new ATOM 448 N ALA A 33 3.239 0.771 -6.280 1.00 0.00 N ATOM 449 CA ALA A 33 3.569 2.141 -6.652 1.00 0.00 C ATOM 450 C ALA A 33 2.345 3.045 -6.558 1.00 0.00 C ATOM 451 O ALA A 33 1.221 2.613 -6.817 1.00 0.00 O ATOM 452 CB ALA A 33 4.151 2.181 -8.057 1.00 0.00 C ATOM 0 H ALA A 33 2.827 0.218 -7.031 1.00 0.00 H new ATOM 0 HA ALA A 33 4.317 2.512 -5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.393 3.210 -8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.056 1.575 -8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.422 1.786 -8.764 1.00 0.00 H new ATOM 458 N ILE A 34 2.570 4.301 -6.186 1.00 0.00 N ATOM 459 CA ILE A 34 1.484 5.265 -6.058 1.00 0.00 C ATOM 460 C ILE A 34 1.687 6.448 -6.999 1.00 0.00 C ATOM 461 O ILE A 34 2.427 7.381 -6.689 1.00 0.00 O ATOM 462 CB ILE A 34 1.362 5.787 -4.614 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.214 4.619 -3.637 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.181 6.739 -4.494 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.295 5.033 -2.185 1.00 0.00 C ATOM 0 H ILE A 34 3.494 4.674 -5.968 1.00 0.00 H new ATOM 0 HA ILE A 34 0.565 4.744 -6.326 1.00 0.00 H new ATOM 0 HB ILE A 34 2.271 6.333 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.257 4.127 -3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.993 3.884 -3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.107 7.100 -3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.325 7.585 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.737 6.216 -4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.182 4.155 -1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.262 5.498 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.500 5.745 -1.965 1.00 0.00 H new ATOM 477 N ARG A 35 1.022 6.403 -8.149 1.00 0.00 N ATOM 478 CA ARG A 35 1.128 7.471 -9.136 1.00 0.00 C ATOM 479 C ARG A 35 0.519 8.764 -8.604 1.00 0.00 C ATOM 480 O ARG A 35 -0.523 8.748 -7.947 1.00 0.00 O ATOM 481 CB ARG A 35 0.433 7.064 -10.436 1.00 0.00 C ATOM 482 CG ARG A 35 -0.125 8.239 -11.222 1.00 0.00 C ATOM 483 CD ARG A 35 -0.130 7.958 -12.717 1.00 0.00 C ATOM 484 NE ARG A 35 -1.330 7.237 -13.134 1.00 0.00 N ATOM 485 CZ ARG A 35 -1.597 6.924 -14.397 1.00 0.00 C ATOM 486 NH1 ARG A 35 -0.753 7.266 -15.361 1.00 0.00 N ATOM 487 NH2 ARG A 35 -2.710 6.268 -14.698 1.00 0.00 N ATOM 0 H ARG A 35 0.404 5.638 -8.420 1.00 0.00 H new ATOM 0 HA ARG A 35 2.185 7.643 -9.337 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.141 6.522 -11.063 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.379 6.375 -10.204 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.140 8.453 -10.888 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.471 9.129 -11.020 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.064 8.899 -13.263 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.753 7.375 -12.979 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.999 6.959 -12.416 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.104 7.771 -15.133 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.961 7.024 -16.330 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.362 6.003 -13.959 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.914 6.028 -15.668 1.00 0.00 H new ATOM 501 N LEU A 36 1.174 9.883 -8.892 1.00 0.00 N ATOM 502 CA LEU A 36 0.697 11.187 -8.442 1.00 0.00 C ATOM 503 C LEU A 36 0.386 12.092 -9.630 1.00 0.00 C ATOM 504 O LEU A 36 1.256 12.374 -10.453 1.00 0.00 O ATOM 505 CB LEU A 36 1.740 11.850 -7.540 1.00 0.00 C ATOM 506 CG LEU A 36 2.260 11.002 -6.379 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.267 11.787 -5.553 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.106 10.527 -5.507 1.00 0.00 C ATOM 0 H LEU A 36 2.037 9.914 -9.435 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.221 11.035 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.589 12.145 -8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.309 12.764 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 36 2.763 10.127 -6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.626 11.167 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.108 12.076 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.790 12.681 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.494 9.925 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.575 11.390 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.421 9.926 -6.105 1.00 0.00 H new ATOM 520 N ASN A 37 -0.860 12.546 -9.711 1.00 0.00 N ATOM 521 CA ASN A 37 -1.286 13.421 -10.797 1.00 0.00 C ATOM 522 C ASN A 37 -1.014 14.883 -10.456 1.00 0.00 C ATOM 523 O ASN A 37 -1.659 15.786 -10.989 1.00 0.00 O ATOM 524 CB ASN A 37 -2.775 13.221 -11.087 1.00 0.00 C ATOM 525 CG ASN A 37 -3.040 11.988 -11.929 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.949 12.030 -13.156 1.00 0.00 O ATOM 527 ND2 ASN A 37 -3.369 10.882 -11.272 1.00 0.00 N ATOM 0 H ASN A 37 -1.593 12.323 -9.037 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.712 13.161 -11.686 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.318 13.138 -10.145 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.163 14.100 -11.602 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.558 10.021 -11.785 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.433 10.893 -10.254 1.00 0.00 H new ATOM 534 N GLY A 38 -0.054 15.109 -9.564 1.00 0.00 N ATOM 535 CA GLY A 38 0.286 16.462 -9.167 1.00 0.00 C ATOM 536 C GLY A 38 -0.194 16.795 -7.769 1.00 0.00 C ATOM 537 O GLY A 38 -0.542 17.940 -7.480 1.00 0.00 O ATOM 0 H GLY A 38 0.494 14.379 -9.109 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.367 16.591 -9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.152 17.166 -9.875 1.00 0.00 H new ATOM 541 N ALA A 39 -0.216 15.791 -6.898 1.00 0.00 N ATOM 542 CA ALA A 39 -0.657 15.983 -5.522 1.00 0.00 C ATOM 543 C ALA A 39 0.529 16.222 -4.593 1.00 0.00 C ATOM 544 O ALA A 39 1.464 15.422 -4.545 1.00 0.00 O ATOM 545 CB ALA A 39 -1.463 14.780 -5.053 1.00 0.00 C ATOM 0 H ALA A 39 0.066 14.837 -7.121 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.293 16.868 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.786 14.937 -4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.337 14.656 -5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.844 13.884 -5.106 1.00 0.00 H new ATOM 551 N LYS A 40 0.485 17.327 -3.857 1.00 0.00 N ATOM 552 CA LYS A 40 1.555 17.672 -2.929 1.00 0.00 C ATOM 553 C LYS A 40 1.016 17.828 -1.511 1.00 0.00 C ATOM 554 O LYS A 40 0.010 18.501 -1.289 1.00 0.00 O ATOM 555 CB LYS A 40 2.243 18.966 -3.370 1.00 0.00 C ATOM 556 CG LYS A 40 1.385 20.205 -3.181 1.00 0.00 C ATOM 557 CD LYS A 40 1.875 21.359 -4.040 1.00 0.00 C ATOM 558 CE LYS A 40 3.149 21.970 -3.478 1.00 0.00 C ATOM 559 NZ LYS A 40 3.345 23.371 -3.944 1.00 0.00 N ATOM 0 H LYS A 40 -0.281 18.000 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 40 2.283 16.861 -2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.169 19.086 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.518 18.881 -4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.350 19.975 -3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.397 20.500 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.056 21.007 -5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.100 22.123 -4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.111 21.952 -2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.005 21.365 -3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.224 23.752 -3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.407 23.386 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.541 23.955 -3.637 1.00 0.00 H new ATOM 573 N GLY A 41 1.693 17.201 -0.553 1.00 0.00 N ATOM 574 CA GLY A 41 1.267 17.284 0.832 1.00 0.00 C ATOM 575 C GLY A 41 1.871 16.191 1.691 1.00 0.00 C ATOM 576 O GLY A 41 3.071 16.199 1.966 1.00 0.00 O ATOM 0 H GLY A 41 2.528 16.637 -0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.547 18.256 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.180 17.220 0.879 1.00 0.00 H new ATOM 580 N LYS A 42 1.039 15.248 2.118 1.00 0.00 N ATOM 581 CA LYS A 42 1.496 14.143 2.952 1.00 0.00 C ATOM 582 C LYS A 42 0.837 12.834 2.530 1.00 0.00 C ATOM 583 O LYS A 42 -0.387 12.751 2.423 1.00 0.00 O ATOM 584 CB LYS A 42 1.193 14.427 4.424 1.00 0.00 C ATOM 585 CG LYS A 42 1.947 13.526 5.386 1.00 0.00 C ATOM 586 CD LYS A 42 3.427 13.868 5.426 1.00 0.00 C ATOM 587 CE LYS A 42 3.688 15.124 6.243 1.00 0.00 C ATOM 588 NZ LYS A 42 4.951 15.799 5.835 1.00 0.00 N ATOM 0 H LYS A 42 0.043 15.227 1.900 1.00 0.00 H new ATOM 0 HA LYS A 42 2.574 14.046 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.440 15.466 4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.123 14.311 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.523 13.623 6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.821 12.486 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.983 13.033 5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.796 14.010 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.853 15.814 6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.740 14.865 7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.093 16.650 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.752 15.149 5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.892 16.069 4.832 1.00 0.00 H new ATOM 602 N ILE A 43 1.655 11.814 2.292 1.00 0.00 N ATOM 603 CA ILE A 43 1.150 10.509 1.885 1.00 0.00 C ATOM 604 C ILE A 43 1.260 9.497 3.021 1.00 0.00 C ATOM 605 O ILE A 43 2.345 9.000 3.320 1.00 0.00 O ATOM 606 CB ILE A 43 1.908 9.969 0.658 1.00 0.00 C ATOM 607 CG1 ILE A 43 1.696 10.891 -0.545 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.454 8.554 0.334 1.00 0.00 C ATOM 609 CD1 ILE A 43 2.681 10.653 -1.669 1.00 0.00 C ATOM 0 H ILE A 43 2.670 11.867 2.374 1.00 0.00 H new ATOM 0 HA ILE A 43 0.101 10.646 1.623 1.00 0.00 H new ATOM 0 HB ILE A 43 2.973 9.943 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.684 10.753 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.775 11.927 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.999 8.187 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.651 7.904 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.386 8.555 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.472 11.341 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.695 10.819 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.587 9.627 -2.024 1.00 0.00 H new ATOM 621 N ASP A 44 0.128 9.197 3.649 1.00 0.00 N ATOM 622 CA ASP A 44 0.096 8.242 4.751 1.00 0.00 C ATOM 623 C ASP A 44 -0.461 6.899 4.290 1.00 0.00 C ATOM 624 O ASP A 44 -1.533 6.834 3.689 1.00 0.00 O ATOM 625 CB ASP A 44 -0.746 8.789 5.904 1.00 0.00 C ATOM 626 CG ASP A 44 0.021 9.773 6.766 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.666 10.679 6.200 1.00 0.00 O ATOM 628 OD2 ASP A 44 -0.024 9.635 8.007 1.00 0.00 O ATOM 0 H ASP A 44 -0.779 9.601 3.414 1.00 0.00 H new ATOM 0 HA ASP A 44 1.118 8.091 5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.633 9.278 5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.091 7.961 6.523 1.00 0.00 H new ATOM 633 N ALA A 45 0.275 5.829 4.575 1.00 0.00 N ATOM 634 CA ALA A 45 -0.146 4.488 4.191 1.00 0.00 C ATOM 635 C ALA A 45 -0.092 3.534 5.380 1.00 0.00 C ATOM 636 O ALA A 45 0.965 3.329 5.977 1.00 0.00 O ATOM 637 CB ALA A 45 0.721 3.968 3.054 1.00 0.00 C ATOM 0 H ALA A 45 1.166 5.866 5.071 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.180 4.542 3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.395 2.965 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.628 4.630 2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.762 3.935 3.376 1.00 0.00 H new ATOM 643 N LYS A 46 -1.238 2.952 5.719 1.00 0.00 N ATOM 644 CA LYS A 46 -1.321 2.019 6.836 1.00 0.00 C ATOM 645 C LYS A 46 -2.196 0.821 6.480 1.00 0.00 C ATOM 646 O LYS A 46 -3.200 0.959 5.781 1.00 0.00 O ATOM 647 CB LYS A 46 -1.881 2.722 8.074 1.00 0.00 C ATOM 648 CG LYS A 46 -1.150 4.007 8.427 1.00 0.00 C ATOM 649 CD LYS A 46 0.039 3.740 9.334 1.00 0.00 C ATOM 650 CE LYS A 46 0.365 4.950 10.196 1.00 0.00 C ATOM 651 NZ LYS A 46 1.012 4.559 11.479 1.00 0.00 N ATOM 0 H LYS A 46 -2.122 3.110 5.236 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.315 1.661 7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.935 2.947 7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.830 2.040 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.810 4.496 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.838 4.694 8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.175 2.883 9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.907 3.478 8.730 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.025 5.620 9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.550 5.504 10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.855 5.303 12.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.600 3.666 11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.033 4.434 11.329 1.00 0.00 H new ATOM 665 N VAL A 47 -1.809 -0.354 6.966 1.00 0.00 N ATOM 666 CA VAL A 47 -2.560 -1.575 6.701 1.00 0.00 C ATOM 667 C VAL A 47 -3.485 -1.915 7.864 1.00 0.00 C ATOM 668 O VAL A 47 -3.071 -1.906 9.024 1.00 0.00 O ATOM 669 CB VAL A 47 -1.619 -2.767 6.443 1.00 0.00 C ATOM 670 CG1 VAL A 47 -0.907 -3.173 7.724 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.394 -3.940 5.860 1.00 0.00 C ATOM 0 H VAL A 47 -0.980 -0.486 7.545 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.157 -1.392 5.808 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.865 -2.462 5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.247 -4.016 7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.320 -2.333 8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.644 -3.461 8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.714 -4.774 5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.171 -4.247 6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.853 -3.641 4.918 1.00 0.00 H new ATOM 681 N HIS A 48 -4.741 -2.215 7.547 1.00 0.00 N ATOM 682 CA HIS A 48 -5.726 -2.559 8.566 1.00 0.00 C ATOM 683 C HIS A 48 -5.767 -4.067 8.795 1.00 0.00 C ATOM 684 O HIS A 48 -5.217 -4.839 8.009 1.00 0.00 O ATOM 685 CB HIS A 48 -7.110 -2.055 8.158 1.00 0.00 C ATOM 686 CG HIS A 48 -7.283 -0.577 8.324 1.00 0.00 C ATOM 687 ND1 HIS A 48 -8.106 -0.018 9.279 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.731 0.460 7.652 1.00 0.00 C ATOM 689 CE1 HIS A 48 -8.054 1.299 9.186 1.00 0.00 C ATOM 690 NE2 HIS A 48 -7.227 1.615 8.206 1.00 0.00 N ATOM 0 H HIS A 48 -5.100 -2.227 6.592 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.432 -2.076 9.498 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.291 -2.319 7.116 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.865 -2.570 8.753 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.031 0.392 6.833 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.596 1.998 9.806 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.994 2.563 7.909 1.00 0.00 H new ATOM 698 N SER A 49 -6.421 -4.479 9.876 1.00 0.00 N ATOM 699 CA SER A 49 -6.530 -5.895 10.210 1.00 0.00 C ATOM 700 C SER A 49 -7.956 -6.248 10.620 1.00 0.00 C ATOM 701 O SER A 49 -8.700 -5.422 11.150 1.00 0.00 O ATOM 702 CB SER A 49 -5.560 -6.250 11.338 1.00 0.00 C ATOM 703 OG SER A 49 -4.228 -5.912 10.991 1.00 0.00 O ATOM 0 H SER A 49 -6.883 -3.853 10.536 1.00 0.00 H new ATOM 0 HA SER A 49 -6.272 -6.474 9.323 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.847 -5.723 12.248 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.623 -7.316 11.554 1.00 0.00 H new ATOM 0 HG SER A 49 -3.870 -6.585 10.375 1.00 0.00 H new ATOM 709 N PRO A 50 -8.349 -7.506 10.370 1.00 0.00 N ATOM 710 CA PRO A 50 -9.688 -7.999 10.705 1.00 0.00 C ATOM 711 C PRO A 50 -9.898 -8.129 12.209 1.00 0.00 C ATOM 712 O PRO A 50 -11.003 -8.416 12.669 1.00 0.00 O ATOM 713 CB PRO A 50 -9.736 -9.375 10.037 1.00 0.00 C ATOM 714 CG PRO A 50 -8.312 -9.802 9.946 1.00 0.00 C ATOM 715 CD PRO A 50 -7.515 -8.544 9.741 1.00 0.00 C ATOM 0 HA PRO A 50 -10.470 -7.319 10.367 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.324 -10.080 10.625 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.197 -9.320 9.051 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.000 -10.318 10.854 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.165 -10.496 9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.533 -8.609 10.210 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.350 -8.341 8.683 1.00 0.00 H new ATOM 723 N SER A 51 -8.831 -7.915 12.972 1.00 0.00 N ATOM 724 CA SER A 51 -8.898 -8.012 14.426 1.00 0.00 C ATOM 725 C SER A 51 -9.119 -6.638 15.052 1.00 0.00 C ATOM 726 O SER A 51 -9.644 -6.525 16.159 1.00 0.00 O ATOM 727 CB SER A 51 -7.614 -8.635 14.976 1.00 0.00 C ATOM 728 OG SER A 51 -7.766 -8.996 16.338 1.00 0.00 O ATOM 0 H SER A 51 -7.909 -7.673 12.608 1.00 0.00 H new ATOM 0 HA SER A 51 -9.743 -8.650 14.685 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.353 -9.516 14.390 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.790 -7.929 14.873 1.00 0.00 H new ATOM 0 HG SER A 51 -6.932 -9.393 16.666 1.00 0.00 H new ATOM 734 N GLY A 52 -8.715 -5.595 14.333 1.00 0.00 N ATOM 735 CA GLY A 52 -8.877 -4.242 14.833 1.00 0.00 C ATOM 736 C GLY A 52 -7.552 -3.581 15.156 1.00 0.00 C ATOM 737 O GLY A 52 -7.489 -2.671 15.982 1.00 0.00 O ATOM 0 H GLY A 52 -8.279 -5.663 13.414 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.406 -3.645 14.091 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.498 -4.261 15.729 1.00 0.00 H new ATOM 741 N ALA A 53 -6.488 -4.040 14.504 1.00 0.00 N ATOM 742 CA ALA A 53 -5.158 -3.487 14.726 1.00 0.00 C ATOM 743 C ALA A 53 -4.691 -2.681 13.519 1.00 0.00 C ATOM 744 O ALA A 53 -4.911 -3.074 12.374 1.00 0.00 O ATOM 745 CB ALA A 53 -4.169 -4.600 15.035 1.00 0.00 C ATOM 0 H ALA A 53 -6.522 -4.794 13.818 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.209 -2.814 15.582 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.180 -4.173 15.199 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.488 -5.131 15.932 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.130 -5.295 14.196 1.00 0.00 H new ATOM 751 N VAL A 54 -4.044 -1.549 13.784 1.00 0.00 N ATOM 752 CA VAL A 54 -3.545 -0.688 12.719 1.00 0.00 C ATOM 753 C VAL A 54 -2.024 -0.743 12.635 1.00 0.00 C ATOM 754 O VAL A 54 -1.326 -0.341 13.565 1.00 0.00 O ATOM 755 CB VAL A 54 -3.983 0.774 12.928 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.409 1.665 11.837 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.501 0.874 12.966 1.00 0.00 C ATOM 0 H VAL A 54 -3.854 -1.208 14.726 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.972 -1.058 11.787 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.594 1.118 13.886 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.729 2.694 12.001 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.320 1.615 11.862 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.765 1.325 10.865 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.794 1.913 13.114 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.913 0.512 12.024 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.885 0.268 13.787 1.00 0.00 H new ATOM 767 N GLU A 55 -1.516 -1.245 11.513 1.00 0.00 N ATOM 768 CA GLU A 55 -0.077 -1.353 11.308 1.00 0.00 C ATOM 769 C GLU A 55 0.418 -0.279 10.343 1.00 0.00 C ATOM 770 O GLU A 55 -0.358 0.277 9.567 1.00 0.00 O ATOM 771 CB GLU A 55 0.282 -2.741 10.772 1.00 0.00 C ATOM 772 CG GLU A 55 0.490 -3.779 11.861 1.00 0.00 C ATOM 773 CD GLU A 55 0.850 -5.143 11.305 1.00 0.00 C ATOM 774 OE1 GLU A 55 2.056 -5.409 11.123 1.00 0.00 O ATOM 775 OE2 GLU A 55 -0.074 -5.944 11.052 1.00 0.00 O ATOM 0 H GLU A 55 -2.080 -1.583 10.733 1.00 0.00 H new ATOM 0 HA GLU A 55 0.413 -1.205 12.270 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.511 -3.080 10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.191 -2.667 10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.281 -3.443 12.531 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.419 -3.862 12.457 1.00 0.00 H new ATOM 782 N GLU A 56 1.715 0.006 10.399 1.00 0.00 N ATOM 783 CA GLU A 56 2.313 1.014 9.531 1.00 0.00 C ATOM 784 C GLU A 56 3.159 0.362 8.442 1.00 0.00 C ATOM 785 O GLU A 56 4.020 -0.472 8.726 1.00 0.00 O ATOM 786 CB GLU A 56 3.172 1.980 10.350 1.00 0.00 C ATOM 787 CG GLU A 56 3.675 3.172 9.554 1.00 0.00 C ATOM 788 CD GLU A 56 4.570 4.084 10.371 1.00 0.00 C ATOM 789 OE1 GLU A 56 5.605 3.601 10.876 1.00 0.00 O ATOM 790 OE2 GLU A 56 4.235 5.279 10.505 1.00 0.00 O ATOM 0 H GLU A 56 2.371 -0.446 11.035 1.00 0.00 H new ATOM 0 HA GLU A 56 1.506 1.571 9.055 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.590 2.340 11.199 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.026 1.438 10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.224 2.816 8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.823 3.742 9.183 1.00 0.00 H new ATOM 797 N CYS A 57 2.908 0.747 7.196 1.00 0.00 N ATOM 798 CA CYS A 57 3.645 0.199 6.063 1.00 0.00 C ATOM 799 C CYS A 57 4.836 1.084 5.710 1.00 0.00 C ATOM 800 O CYS A 57 4.762 2.309 5.803 1.00 0.00 O ATOM 801 CB CYS A 57 2.725 0.054 4.850 1.00 0.00 C ATOM 802 SG CYS A 57 1.281 -0.995 5.141 1.00 0.00 S ATOM 0 H CYS A 57 2.200 1.437 6.945 1.00 0.00 H new ATOM 0 HA CYS A 57 4.018 -0.785 6.346 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.386 1.044 4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.298 -0.358 4.019 1.00 0.00 H new ATOM 0 HG CYS A 57 0.563 -1.055 4.059 1.00 0.00 H new ATOM 808 N HIS A 58 5.935 0.455 5.305 1.00 0.00 N ATOM 809 CA HIS A 58 7.143 1.185 4.939 1.00 0.00 C ATOM 810 C HIS A 58 6.874 2.128 3.770 1.00 0.00 C ATOM 811 O HIS A 58 6.586 1.688 2.657 1.00 0.00 O ATOM 812 CB HIS A 58 8.264 0.211 4.575 1.00 0.00 C ATOM 813 CG HIS A 58 9.598 0.869 4.405 1.00 0.00 C ATOM 814 ND1 HIS A 58 10.507 0.489 3.440 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.175 1.889 5.083 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.586 1.246 3.533 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.410 2.104 4.521 1.00 0.00 N ATOM 0 H HIS A 58 6.013 -0.559 5.222 1.00 0.00 H new ATOM 0 HA HIS A 58 7.453 1.778 5.799 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.340 -0.550 5.352 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.001 -0.303 3.650 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.745 2.432 5.911 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.463 1.175 2.907 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.082 2.811 4.819 1.00 0.00 H new ATOM 825 N VAL A 59 6.970 3.428 4.030 1.00 0.00 N ATOM 826 CA VAL A 59 6.737 4.434 3.000 1.00 0.00 C ATOM 827 C VAL A 59 7.981 5.286 2.773 1.00 0.00 C ATOM 828 O VAL A 59 8.394 6.045 3.650 1.00 0.00 O ATOM 829 CB VAL A 59 5.558 5.354 3.369 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.320 6.382 2.274 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.303 4.533 3.625 1.00 0.00 C ATOM 0 H VAL A 59 7.208 3.810 4.946 1.00 0.00 H new ATOM 0 HA VAL A 59 6.495 3.897 2.083 1.00 0.00 H new ATOM 0 HB VAL A 59 5.808 5.888 4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.483 7.023 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.215 6.990 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.090 5.871 1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.480 5.198 3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.046 3.971 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.483 3.840 4.447 1.00 0.00 H new ATOM 841 N SER A 60 8.573 5.156 1.591 1.00 0.00 N ATOM 842 CA SER A 60 9.772 5.912 1.249 1.00 0.00 C ATOM 843 C SER A 60 9.540 6.768 0.007 1.00 0.00 C ATOM 844 O SER A 60 8.980 6.301 -0.984 1.00 0.00 O ATOM 845 CB SER A 60 10.950 4.963 1.015 1.00 0.00 C ATOM 846 OG SER A 60 12.187 5.632 1.189 1.00 0.00 O ATOM 0 H SER A 60 8.242 4.534 0.853 1.00 0.00 H new ATOM 0 HA SER A 60 10.006 6.571 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.887 4.123 1.707 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.894 4.551 0.007 1.00 0.00 H new ATOM 0 HG SER A 60 12.923 5.004 1.036 1.00 0.00 H new ATOM 852 N GLU A 61 9.975 8.022 0.071 1.00 0.00 N ATOM 853 CA GLU A 61 9.813 8.944 -1.047 1.00 0.00 C ATOM 854 C GLU A 61 11.043 8.925 -1.950 1.00 0.00 C ATOM 855 O GLU A 61 12.073 9.518 -1.627 1.00 0.00 O ATOM 856 CB GLU A 61 9.564 10.364 -0.535 1.00 0.00 C ATOM 857 CG GLU A 61 9.668 11.427 -1.615 1.00 0.00 C ATOM 858 CD GLU A 61 9.572 12.835 -1.059 1.00 0.00 C ATOM 859 OE1 GLU A 61 8.697 13.074 -0.200 1.00 0.00 O ATOM 860 OE2 GLU A 61 10.370 13.697 -1.482 1.00 0.00 O ATOM 0 H GLU A 61 10.442 8.423 0.884 1.00 0.00 H new ATOM 0 HA GLU A 61 8.951 8.620 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.572 10.410 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.282 10.588 0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.615 11.312 -2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.875 11.275 -2.347 1.00 0.00 H new ATOM 867 N LEU A 62 10.929 8.239 -3.082 1.00 0.00 N ATOM 868 CA LEU A 62 12.031 8.142 -4.032 1.00 0.00 C ATOM 869 C LEU A 62 11.954 9.255 -5.072 1.00 0.00 C ATOM 870 O LEU A 62 12.954 9.905 -5.374 1.00 0.00 O ATOM 871 CB LEU A 62 12.013 6.779 -4.726 1.00 0.00 C ATOM 872 CG LEU A 62 11.626 5.586 -3.852 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.532 4.319 -4.688 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.628 5.406 -2.720 1.00 0.00 C ATOM 0 H LEU A 62 10.084 7.742 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 62 12.964 8.250 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.319 6.830 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.003 6.593 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 62 10.646 5.783 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.256 3.481 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.776 4.449 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.497 4.118 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.336 4.552 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.620 5.232 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.646 6.305 -2.104 1.00 0.00 H new ATOM 886 N GLU A 63 10.759 9.471 -5.614 1.00 0.00 N ATOM 887 CA GLU A 63 10.552 10.507 -6.618 1.00 0.00 C ATOM 888 C GLU A 63 9.416 11.440 -6.211 1.00 0.00 C ATOM 889 O GLU A 63 8.482 11.053 -5.508 1.00 0.00 O ATOM 890 CB GLU A 63 10.246 9.876 -7.978 1.00 0.00 C ATOM 891 CG GLU A 63 11.010 8.588 -8.238 1.00 0.00 C ATOM 892 CD GLU A 63 12.497 8.819 -8.421 1.00 0.00 C ATOM 893 OE1 GLU A 63 12.887 9.372 -9.470 1.00 0.00 O ATOM 894 OE2 GLU A 63 13.271 8.445 -7.515 1.00 0.00 O ATOM 0 H GLU A 63 9.920 8.942 -5.374 1.00 0.00 H new ATOM 0 HA GLU A 63 11.469 11.091 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.177 9.674 -8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.483 10.594 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.852 7.902 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.609 8.105 -9.129 1.00 0.00 H new ATOM 901 N PRO A 64 9.496 12.701 -6.661 1.00 0.00 N ATOM 902 CA PRO A 64 8.484 13.717 -6.357 1.00 0.00 C ATOM 903 C PRO A 64 7.160 13.445 -7.062 1.00 0.00 C ATOM 904 O PRO A 64 6.151 14.092 -6.781 1.00 0.00 O ATOM 905 CB PRO A 64 9.112 15.011 -6.878 1.00 0.00 C ATOM 906 CG PRO A 64 10.058 14.572 -7.942 1.00 0.00 C ATOM 907 CD PRO A 64 10.581 13.232 -7.503 1.00 0.00 C ATOM 0 HA PRO A 64 8.240 13.744 -5.295 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.355 15.686 -7.276 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.631 15.547 -6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.554 14.498 -8.906 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.871 15.288 -8.061 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.784 12.582 -8.354 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.513 13.327 -6.945 1.00 0.00 H new ATOM 915 N ASP A 65 7.170 12.484 -7.980 1.00 0.00 N ATOM 916 CA ASP A 65 5.969 12.126 -8.725 1.00 0.00 C ATOM 917 C ASP A 65 5.644 10.645 -8.554 1.00 0.00 C ATOM 918 O ASP A 65 4.636 10.156 -9.063 1.00 0.00 O ATOM 919 CB ASP A 65 6.146 12.454 -10.208 1.00 0.00 C ATOM 920 CG ASP A 65 7.023 11.445 -10.923 1.00 0.00 C ATOM 921 OD1 ASP A 65 6.489 10.411 -11.376 1.00 0.00 O ATOM 922 OD2 ASP A 65 8.244 11.689 -11.029 1.00 0.00 O ATOM 0 H ASP A 65 7.997 11.939 -8.226 1.00 0.00 H new ATOM 0 HA ASP A 65 5.138 12.710 -8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.168 12.487 -10.689 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.584 13.447 -10.308 1.00 0.00 H new ATOM 927 N LYS A 66 6.507 9.935 -7.834 1.00 0.00 N ATOM 928 CA LYS A 66 6.314 8.510 -7.595 1.00 0.00 C ATOM 929 C LYS A 66 6.705 8.140 -6.168 1.00 0.00 C ATOM 930 O LYS A 66 7.593 8.756 -5.578 1.00 0.00 O ATOM 931 CB LYS A 66 7.137 7.688 -8.590 1.00 0.00 C ATOM 932 CG LYS A 66 6.803 6.207 -8.579 1.00 0.00 C ATOM 933 CD LYS A 66 7.725 5.420 -9.496 1.00 0.00 C ATOM 934 CE LYS A 66 7.599 3.923 -9.263 1.00 0.00 C ATOM 935 NZ LYS A 66 7.888 3.143 -10.498 1.00 0.00 N ATOM 0 H LYS A 66 7.347 10.324 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 66 5.257 8.284 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.976 8.081 -9.594 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.196 7.815 -8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.885 5.822 -7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.769 6.064 -8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.488 5.649 -10.535 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.757 5.730 -9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.286 3.619 -8.473 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.592 3.693 -8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.791 2.127 -10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.217 3.414 -11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.858 3.342 -10.816 1.00 0.00 H new ATOM 949 N TYR A 67 6.039 7.129 -5.620 1.00 0.00 N ATOM 950 CA TYR A 67 6.317 6.678 -4.262 1.00 0.00 C ATOM 951 C TYR A 67 6.287 5.155 -4.177 1.00 0.00 C ATOM 952 O TYR A 67 5.812 4.480 -5.090 1.00 0.00 O ATOM 953 CB TYR A 67 5.302 7.275 -3.286 1.00 0.00 C ATOM 954 CG TYR A 67 5.564 8.726 -2.952 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.367 9.723 -3.900 1.00 0.00 C ATOM 956 CD2 TYR A 67 6.008 9.100 -1.690 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.605 11.051 -3.600 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.248 10.425 -1.381 1.00 0.00 C ATOM 959 CZ TYR A 67 6.045 11.396 -2.339 1.00 0.00 C ATOM 960 OH TYR A 67 6.284 12.717 -2.035 1.00 0.00 O ATOM 0 H TYR A 67 5.303 6.607 -6.096 1.00 0.00 H new ATOM 0 HA TYR A 67 7.316 7.019 -3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.303 7.184 -3.713 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.310 6.692 -2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.022 9.456 -4.888 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.168 8.342 -0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.447 11.814 -4.348 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.593 10.699 -0.395 1.00 0.00 H new ATOM 0 HH TYR A 67 6.970 12.773 -1.338 1.00 0.00 H new ATOM 970 N ALA A 68 6.796 4.620 -3.072 1.00 0.00 N ATOM 971 CA ALA A 68 6.826 3.178 -2.865 1.00 0.00 C ATOM 972 C ALA A 68 6.380 2.817 -1.452 1.00 0.00 C ATOM 973 O ALA A 68 6.947 3.295 -0.470 1.00 0.00 O ATOM 974 CB ALA A 68 8.221 2.634 -3.135 1.00 0.00 C ATOM 0 H ALA A 68 7.193 5.164 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 68 6.128 2.721 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.228 1.556 -2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.503 2.851 -4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.933 3.105 -2.457 1.00 0.00 H new ATOM 980 N VAL A 69 5.359 1.970 -1.357 1.00 0.00 N ATOM 981 CA VAL A 69 4.837 1.545 -0.063 1.00 0.00 C ATOM 982 C VAL A 69 4.939 0.032 0.100 1.00 0.00 C ATOM 983 O VAL A 69 4.184 -0.721 -0.515 1.00 0.00 O ATOM 984 CB VAL A 69 3.369 1.972 0.117 1.00 0.00 C ATOM 985 CG1 VAL A 69 2.895 1.673 1.531 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.200 3.448 -0.210 1.00 0.00 C ATOM 0 H VAL A 69 4.878 1.565 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 69 5.445 2.032 0.700 1.00 0.00 H new ATOM 0 HB VAL A 69 2.754 1.397 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.855 1.982 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.978 0.603 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.512 2.219 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.156 3.733 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.826 4.042 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.497 3.628 -1.243 1.00 0.00 H new ATOM 996 N ARG A 70 5.877 -0.405 0.933 1.00 0.00 N ATOM 997 CA ARG A 70 6.078 -1.829 1.177 1.00 0.00 C ATOM 998 C ARG A 70 5.320 -2.279 2.422 1.00 0.00 C ATOM 999 O ARG A 70 5.305 -1.585 3.438 1.00 0.00 O ATOM 1000 CB ARG A 70 7.569 -2.135 1.336 1.00 0.00 C ATOM 1001 CG ARG A 70 7.894 -3.619 1.287 1.00 0.00 C ATOM 1002 CD ARG A 70 9.187 -3.930 2.025 1.00 0.00 C ATOM 1003 NE ARG A 70 9.048 -3.760 3.468 1.00 0.00 N ATOM 1004 CZ ARG A 70 10.054 -3.898 4.325 1.00 0.00 C ATOM 1005 NH1 ARG A 70 11.266 -4.205 3.885 1.00 0.00 N ATOM 1006 NH2 ARG A 70 9.848 -3.727 5.625 1.00 0.00 N ATOM 0 H ARG A 70 6.510 0.205 1.450 1.00 0.00 H new ATOM 0 HA ARG A 70 5.691 -2.378 0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.122 -1.624 0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.916 -1.727 2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.075 -4.187 1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.980 -3.940 0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.491 -4.954 1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.980 -3.278 1.658 1.00 0.00 H new ATOM 0 HE ARG A 70 8.128 -3.522 3.839 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.428 -4.336 2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.037 -4.310 4.545 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.917 -3.489 5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.621 -3.833 6.282 1.00 0.00 H new ATOM 1020 N PHE A 71 4.691 -3.447 2.335 1.00 0.00 N ATOM 1021 CA PHE A 71 3.929 -3.990 3.453 1.00 0.00 C ATOM 1022 C PHE A 71 3.773 -5.502 3.322 1.00 0.00 C ATOM 1023 O PHE A 71 3.754 -6.041 2.215 1.00 0.00 O ATOM 1024 CB PHE A 71 2.551 -3.328 3.528 1.00 0.00 C ATOM 1025 CG PHE A 71 1.562 -3.890 2.547 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.580 -3.491 1.220 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.615 -4.817 2.951 1.00 0.00 C ATOM 1028 CE1 PHE A 71 0.672 -4.006 0.314 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.296 -5.336 2.050 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.268 -4.929 0.730 1.00 0.00 C ATOM 0 H PHE A 71 4.694 -4.035 1.502 1.00 0.00 H new ATOM 0 HA PHE A 71 4.477 -3.777 4.371 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.156 -3.444 4.537 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.660 -2.258 3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.312 -2.769 0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.588 -5.138 3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.697 -3.687 -0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.029 -6.059 2.378 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.980 -5.332 0.025 1.00 0.00 H new ATOM 1040 N ILE A 72 3.663 -6.180 4.459 1.00 0.00 N ATOM 1041 CA ILE A 72 3.508 -7.630 4.472 1.00 0.00 C ATOM 1042 C ILE A 72 2.047 -8.025 4.656 1.00 0.00 C ATOM 1043 O ILE A 72 1.491 -7.948 5.752 1.00 0.00 O ATOM 1044 CB ILE A 72 4.348 -8.276 5.589 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.841 -8.109 5.296 1.00 0.00 C ATOM 1046 CG2 ILE A 72 3.993 -9.748 5.735 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.723 -8.343 6.502 1.00 0.00 C ATOM 0 H ILE A 72 3.678 -5.749 5.383 1.00 0.00 H new ATOM 0 HA ILE A 72 3.861 -7.994 3.507 1.00 0.00 H new ATOM 0 HB ILE A 72 4.123 -7.773 6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.128 -8.803 4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.018 -7.103 4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.595 -10.191 6.528 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.936 -9.844 5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.193 -10.265 4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.767 -8.208 6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.463 -7.632 7.286 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.575 -9.358 6.870 1.00 0.00 H new ATOM 1059 N PRO A 73 1.409 -8.461 3.560 1.00 0.00 N ATOM 1060 CA PRO A 73 0.004 -8.880 3.575 1.00 0.00 C ATOM 1061 C PRO A 73 -0.203 -10.186 4.334 1.00 0.00 C ATOM 1062 O PRO A 73 -0.303 -11.256 3.733 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.327 -9.065 2.092 1.00 0.00 C ATOM 1064 CG PRO A 73 0.982 -9.356 1.445 1.00 0.00 C ATOM 1065 CD PRO A 73 2.010 -8.578 2.221 1.00 0.00 C ATOM 0 HA PRO A 73 -0.633 -8.154 4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.033 -9.882 1.943 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.785 -8.169 1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.200 -10.424 1.469 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.975 -9.056 0.397 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.967 -9.098 2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.194 -7.600 1.776 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.266 -10.092 5.659 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.462 -11.268 6.500 1.00 0.00 C ATOM 1075 C HIS A 74 -1.688 -11.099 7.392 1.00 0.00 C ATOM 1076 O HIS A 74 -1.653 -10.363 8.377 1.00 0.00 O ATOM 1077 CB HIS A 74 0.777 -11.518 7.359 1.00 0.00 C ATOM 1078 CG HIS A 74 0.943 -10.532 8.474 1.00 0.00 C ATOM 1079 ND1 HIS A 74 1.543 -9.302 8.308 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.580 -10.598 9.777 1.00 0.00 C ATOM 1081 CE1 HIS A 74 1.545 -8.655 9.460 1.00 0.00 C ATOM 1082 NE2 HIS A 74 0.965 -9.420 10.367 1.00 0.00 N ATOM 0 H HIS A 74 -0.184 -9.215 6.173 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.623 -12.127 5.849 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.721 -12.522 7.779 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.662 -11.487 6.723 1.00 0.00 H new ATOM 0 HD1 HIS A 74 1.926 -8.947 7.432 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.081 -11.424 10.262 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.951 -7.669 9.631 1.00 0.00 H new ATOM 1090 N GLU A 75 -2.771 -11.784 7.037 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.008 -11.708 7.805 1.00 0.00 C ATOM 1092 C GLU A 75 -4.733 -13.051 7.805 1.00 0.00 C ATOM 1093 O GLU A 75 -4.292 -14.006 7.166 1.00 0.00 O ATOM 1094 CB GLU A 75 -4.923 -10.623 7.234 1.00 0.00 C ATOM 1095 CG GLU A 75 -4.360 -9.218 7.372 1.00 0.00 C ATOM 1096 CD GLU A 75 -3.934 -8.897 8.792 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -4.539 -9.453 9.732 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -2.996 -8.090 8.962 1.00 0.00 O ATOM 0 H GLU A 75 -2.816 -12.397 6.223 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.751 -11.453 8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.105 -10.831 6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.888 -10.670 7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.504 -9.106 6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.111 -8.496 7.050 1.00 0.00 H new ATOM 1105 N ASN A 76 -5.847 -13.116 8.526 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.633 -14.342 8.610 1.00 0.00 C ATOM 1107 C ASN A 76 -7.915 -14.223 7.793 1.00 0.00 C ATOM 1108 O ASN A 76 -8.885 -14.941 8.032 1.00 0.00 O ATOM 1109 CB ASN A 76 -6.972 -14.656 10.069 1.00 0.00 C ATOM 1110 CG ASN A 76 -7.205 -13.403 10.891 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -6.265 -12.813 11.424 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -8.463 -12.991 10.997 1.00 0.00 N ATOM 0 H ASN A 76 -6.226 -12.334 9.061 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.036 -15.156 8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.864 -15.282 10.105 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.160 -15.232 10.512 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.682 -12.154 11.537 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.211 -13.512 10.538 1.00 0.00 H new ATOM 1119 N GLY A 77 -7.912 -13.311 6.825 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.079 -13.115 5.986 1.00 0.00 C ATOM 1121 C GLY A 77 -8.834 -12.113 4.876 1.00 0.00 C ATOM 1122 O GLY A 77 -7.938 -12.296 4.051 1.00 0.00 O ATOM 0 H GLY A 77 -7.121 -12.704 6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.374 -14.070 5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.912 -12.774 6.601 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.632 -11.050 4.852 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.498 -10.016 3.834 1.00 0.00 C ATOM 1128 C VAL A 78 -8.787 -8.787 4.389 1.00 0.00 C ATOM 1129 O VAL A 78 -9.030 -8.376 5.524 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.871 -9.593 3.278 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.709 -8.517 2.216 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.613 -10.798 2.719 1.00 0.00 C ATOM 0 H VAL A 78 -10.378 -10.883 5.527 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.903 -10.443 3.027 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.462 -9.177 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.689 -8.231 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.221 -7.646 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.100 -8.902 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.581 -10.481 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.028 -11.245 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.763 -11.532 3.510 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.906 -8.204 3.582 1.00 0.00 N ATOM 1143 CA HIS A 79 -7.159 -7.020 3.992 1.00 0.00 C ATOM 1144 C HIS A 79 -7.812 -5.751 3.452 1.00 0.00 C ATOM 1145 O HIS A 79 -8.609 -5.801 2.514 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.713 -7.110 3.506 1.00 0.00 C ATOM 1147 CG HIS A 79 -5.094 -8.458 3.713 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.965 -8.659 4.479 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.454 -9.678 3.249 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.657 -9.943 4.476 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.545 -10.584 3.738 1.00 0.00 N ATOM 0 H HIS A 79 -7.692 -8.532 2.640 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.166 -6.976 5.081 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.679 -6.863 2.445 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.116 -6.361 4.027 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.449 -7.930 4.971 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.299 -9.898 2.613 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.820 -10.393 4.990 1.00 0.00 H new ATOM 1159 N THR A 80 -7.471 -4.614 4.051 1.00 0.00 N ATOM 1160 CA THR A 80 -8.025 -3.333 3.631 1.00 0.00 C ATOM 1161 C THR A 80 -6.973 -2.232 3.696 1.00 0.00 C ATOM 1162 O THR A 80 -6.560 -1.819 4.780 1.00 0.00 O ATOM 1163 CB THR A 80 -9.229 -2.930 4.503 1.00 0.00 C ATOM 1164 OG1 THR A 80 -10.238 -3.943 4.444 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.809 -1.601 4.042 1.00 0.00 C ATOM 0 H THR A 80 -6.814 -4.555 4.829 1.00 0.00 H new ATOM 0 HA THR A 80 -8.357 -3.454 2.600 1.00 0.00 H new ATOM 0 HB THR A 80 -8.885 -2.821 5.532 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.999 -3.680 5.002 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.658 -1.336 4.672 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.046 -0.826 4.116 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.139 -1.687 3.007 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.544 -1.760 2.530 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.542 -0.705 2.456 1.00 0.00 C ATOM 1175 C ILE A 81 -6.139 0.648 2.830 1.00 0.00 C ATOM 1176 O ILE A 81 -7.288 0.942 2.502 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.927 -0.610 1.047 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.373 -1.970 0.617 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.834 0.447 1.016 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -4.287 -2.140 -0.884 1.00 0.00 C ATOM 0 H ILE A 81 -6.875 -2.092 1.624 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.759 -0.964 3.169 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.707 -0.317 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.380 -2.101 1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.005 -2.757 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.409 0.502 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.256 1.415 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.052 0.182 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.886 -3.127 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.282 -2.041 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.631 -1.375 -1.300 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.349 1.468 3.515 1.00 0.00 N ATOM 1193 CA ASP A 82 -5.798 2.791 3.931 1.00 0.00 C ATOM 1194 C ASP A 82 -4.827 3.868 3.458 1.00 0.00 C ATOM 1195 O ASP A 82 -3.796 4.109 4.087 1.00 0.00 O ATOM 1196 CB ASP A 82 -5.942 2.850 5.453 1.00 0.00 C ATOM 1197 CG ASP A 82 -6.519 4.168 5.929 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -6.241 5.204 5.289 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -7.249 4.164 6.942 1.00 0.00 O ATOM 0 H ASP A 82 -4.395 1.239 3.794 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.770 2.977 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.584 2.034 5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.966 2.696 5.914 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.162 4.512 2.344 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.320 5.563 1.786 1.00 0.00 C ATOM 1206 C VAL A 83 -4.942 6.938 2.000 1.00 0.00 C ATOM 1207 O VAL A 83 -5.932 7.291 1.359 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.080 5.350 0.280 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.247 6.486 -0.295 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.408 4.007 0.033 1.00 0.00 C ATOM 0 H VAL A 83 -6.011 4.324 1.810 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.365 5.514 2.309 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.045 5.347 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.088 6.318 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.771 7.431 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.284 6.525 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.246 3.873 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.450 3.979 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.047 3.206 0.407 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.356 7.712 2.907 1.00 0.00 N ATOM 1221 CA LYS A 84 -4.851 9.051 3.206 1.00 0.00 C ATOM 1222 C LYS A 84 -3.898 10.115 2.672 1.00 0.00 C ATOM 1223 O LYS A 84 -2.679 9.950 2.716 1.00 0.00 O ATOM 1224 CB LYS A 84 -5.031 9.224 4.716 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.115 8.339 5.305 1.00 0.00 C ATOM 1226 CD LYS A 84 -5.830 7.999 6.758 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.074 7.483 7.465 1.00 0.00 C ATOM 1228 NZ LYS A 84 -7.885 8.592 8.039 1.00 0.00 N ATOM 0 H LYS A 84 -3.537 7.435 3.448 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.816 9.173 2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.086 9.006 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.270 10.266 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.078 8.844 5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.191 7.420 4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.043 7.247 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.458 8.884 7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.682 6.915 6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.782 6.797 8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.048 8.415 9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.375 9.491 7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.799 8.646 7.545 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.462 11.208 2.168 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.662 12.300 1.625 1.00 0.00 C ATOM 1244 C PHE A 85 -4.188 13.650 2.105 1.00 0.00 C ATOM 1245 O PHE A 85 -5.261 14.091 1.695 1.00 0.00 O ATOM 1246 CB PHE A 85 -3.666 12.253 0.096 1.00 0.00 C ATOM 1247 CG PHE A 85 -2.572 13.068 -0.532 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -2.684 14.446 -0.628 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -1.432 12.456 -1.027 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -1.679 15.199 -1.205 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -0.423 13.204 -1.605 1.00 0.00 C ATOM 1252 CZ PHE A 85 -0.548 14.577 -1.695 1.00 0.00 C ATOM 0 H PHE A 85 -5.470 11.361 2.124 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.639 12.180 1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.568 11.217 -0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.629 12.611 -0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.567 14.937 -0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.330 11.383 -0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.778 16.272 -1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.462 12.716 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.238 15.163 -2.148 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.424 14.300 2.977 1.00 0.00 N ATOM 1263 CA ASN A 86 -3.813 15.599 3.514 1.00 0.00 C ATOM 1264 C ASN A 86 -5.137 15.503 4.265 1.00 0.00 C ATOM 1265 O ASN A 86 -5.919 16.453 4.291 1.00 0.00 O ATOM 1266 CB ASN A 86 -3.927 16.627 2.386 1.00 0.00 C ATOM 1267 CG ASN A 86 -2.576 17.169 1.959 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -1.538 16.568 2.237 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -2.584 18.310 1.281 1.00 0.00 N ATOM 0 H ASN A 86 -2.533 13.949 3.327 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.042 15.921 4.214 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.419 16.168 1.528 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.560 17.452 2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.706 18.723 0.968 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.469 18.773 1.073 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.382 14.348 4.876 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.612 14.148 5.620 1.00 0.00 C ATOM 1278 C GLY A 87 -7.795 13.857 4.718 1.00 0.00 C ATOM 1279 O GLY A 87 -8.801 14.565 4.754 1.00 0.00 O ATOM 0 H GLY A 87 -4.751 13.547 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.480 13.322 6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.822 15.037 6.214 1.00 0.00 H new ATOM 1283 N SER A 88 -7.674 12.813 3.905 1.00 0.00 N ATOM 1284 CA SER A 88 -8.739 12.433 2.985 1.00 0.00 C ATOM 1285 C SER A 88 -8.400 11.128 2.270 1.00 0.00 C ATOM 1286 O SER A 88 -7.309 10.973 1.720 1.00 0.00 O ATOM 1287 CB SER A 88 -8.976 13.543 1.959 1.00 0.00 C ATOM 1288 OG SER A 88 -10.215 13.367 1.294 1.00 0.00 O ATOM 0 H SER A 88 -6.849 12.215 3.865 1.00 0.00 H new ATOM 0 HA SER A 88 -9.650 12.283 3.565 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.962 14.512 2.457 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.166 13.548 1.230 1.00 0.00 H new ATOM 0 HG SER A 88 -10.344 14.090 0.645 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.344 10.191 2.282 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.147 8.899 1.635 1.00 0.00 C ATOM 1296 C HIS A 89 -9.264 9.027 0.119 1.00 0.00 C ATOM 1297 O HIS A 89 -10.347 9.272 -0.411 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.166 7.885 2.154 1.00 0.00 C ATOM 1299 CG HIS A 89 -9.928 7.467 3.572 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.465 6.216 3.920 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -10.090 8.143 4.733 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.354 6.140 5.234 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.727 7.297 5.751 1.00 0.00 N ATOM 0 H HIS A 89 -10.252 10.303 2.733 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.143 8.549 1.875 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.165 8.313 2.073 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.145 7.002 1.515 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -9.243 5.466 3.265 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -10.440 9.159 4.839 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.016 5.279 5.791 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.141 8.860 -0.572 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.118 8.957 -2.027 1.00 0.00 C ATOM 1313 C VAL A 90 -9.127 8.004 -2.657 1.00 0.00 C ATOM 1314 O VAL A 90 -9.399 6.929 -2.123 1.00 0.00 O ATOM 1315 CB VAL A 90 -6.717 8.648 -2.588 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.690 9.617 -2.022 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.328 7.209 -2.285 1.00 0.00 C ATOM 0 H VAL A 90 -7.236 8.657 -0.148 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.384 9.983 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.742 8.773 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.706 9.384 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.963 10.637 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.664 9.526 -0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.336 7.008 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.320 7.054 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.050 6.533 -2.743 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.680 8.405 -3.798 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.658 7.586 -4.503 1.00 0.00 C ATOM 1329 C VAL A 91 -10.296 6.107 -4.423 1.00 0.00 C ATOM 1330 O VAL A 91 -9.121 5.743 -4.430 1.00 0.00 O ATOM 1331 CB VAL A 91 -10.772 7.997 -5.983 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -10.937 9.504 -6.108 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -9.557 7.518 -6.763 1.00 0.00 C ATOM 0 H VAL A 91 -9.467 9.292 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.619 7.749 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.657 7.523 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.016 9.775 -7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.841 9.816 -5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.073 10.002 -5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.654 7.817 -7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.655 7.962 -6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.490 6.432 -6.701 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.316 5.257 -4.349 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.085 3.826 -4.269 1.00 0.00 C ATOM 1345 C GLY A 92 -10.785 3.365 -2.857 1.00 0.00 C ATOM 1346 O GLY A 92 -10.945 2.188 -2.534 1.00 0.00 O ATOM 0 H GLY A 92 -12.298 5.534 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.963 3.298 -4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.252 3.559 -4.920 1.00 0.00 H new ATOM 1350 N SER A 93 -10.348 4.294 -2.013 1.00 0.00 N ATOM 1351 CA SER A 93 -10.019 3.975 -0.628 1.00 0.00 C ATOM 1352 C SER A 93 -11.230 4.177 0.278 1.00 0.00 C ATOM 1353 O SER A 93 -12.008 5.117 0.116 1.00 0.00 O ATOM 1354 CB SER A 93 -8.856 4.842 -0.145 1.00 0.00 C ATOM 1355 OG SER A 93 -8.184 4.234 0.945 1.00 0.00 O ATOM 0 H SER A 93 -10.213 5.274 -2.264 1.00 0.00 H new ATOM 0 HA SER A 93 -9.724 2.927 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.155 5.004 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.229 5.822 0.154 1.00 0.00 H new ATOM 0 HG SER A 93 -7.944 4.918 1.604 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.394 3.274 1.256 1.00 0.00 N ATOM 1362 CA PRO A 94 -10.474 2.150 1.458 1.00 0.00 C ATOM 1363 C PRO A 94 -10.576 1.111 0.346 1.00 0.00 C ATOM 1364 O PRO A 94 -11.563 1.068 -0.388 1.00 0.00 O ATOM 1365 CB PRO A 94 -10.931 1.554 2.791 1.00 0.00 C ATOM 1366 CG PRO A 94 -12.365 1.938 2.907 1.00 0.00 C ATOM 1367 CD PRO A 94 -12.490 3.279 2.239 1.00 0.00 C ATOM 0 HA PRO A 94 -9.432 2.469 1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -10.809 0.471 2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.347 1.949 3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.007 1.201 2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.671 1.992 3.952 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.461 3.399 1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.385 4.095 2.954 1.00 0.00 H new ATOM 1375 N PHE A 95 -9.550 0.274 0.229 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.524 -0.765 -0.794 1.00 0.00 C ATOM 1377 C PHE A 95 -9.690 -2.147 -0.168 1.00 0.00 C ATOM 1378 O PHE A 95 -9.428 -2.340 1.019 1.00 0.00 O ATOM 1379 CB PHE A 95 -8.214 -0.702 -1.581 1.00 0.00 C ATOM 1380 CG PHE A 95 -8.015 0.595 -2.311 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -8.565 0.790 -3.568 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -7.278 1.620 -1.740 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -8.382 1.983 -4.242 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -7.093 2.816 -2.409 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.646 2.997 -3.661 1.00 0.00 C ATOM 0 H PHE A 95 -8.726 0.295 0.830 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.357 -0.592 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.380 -0.856 -0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.191 -1.521 -2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -9.143 0.001 -4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.843 1.483 -0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.814 2.122 -5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.517 3.607 -1.953 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.503 3.930 -4.185 1.00 0.00 H new ATOM 1395 N LYS A 96 -10.127 -3.107 -0.976 1.00 0.00 N ATOM 1396 CA LYS A 96 -10.327 -4.472 -0.505 1.00 0.00 C ATOM 1397 C LYS A 96 -9.516 -5.459 -1.338 1.00 0.00 C ATOM 1398 O LYS A 96 -9.446 -5.345 -2.561 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.812 -4.840 -0.562 1.00 0.00 C ATOM 1400 CG LYS A 96 -12.635 -4.222 0.555 1.00 0.00 C ATOM 1401 CD LYS A 96 -12.502 -5.009 1.847 1.00 0.00 C ATOM 1402 CE LYS A 96 -13.513 -6.143 1.916 1.00 0.00 C ATOM 1403 NZ LYS A 96 -14.895 -5.640 2.154 1.00 0.00 N ATOM 0 H LYS A 96 -10.350 -2.964 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.984 -4.528 0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.220 -4.522 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.911 -5.925 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.313 -3.194 0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.683 -4.184 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.493 -5.414 1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.644 -4.342 2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.488 -6.709 0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.234 -6.830 2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.498 -6.423 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.873 -4.896 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.280 -5.250 1.270 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.905 -6.430 -0.666 1.00 0.00 N ATOM 1418 CA VAL A 97 -8.100 -7.440 -1.344 1.00 0.00 C ATOM 1419 C VAL A 97 -8.029 -8.725 -0.528 1.00 0.00 C ATOM 1420 O VAL A 97 -7.994 -8.691 0.702 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.670 -6.933 -1.608 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -6.695 -5.706 -2.507 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.962 -6.628 -0.297 1.00 0.00 C ATOM 0 H VAL A 97 -8.952 -6.539 0.347 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.587 -7.645 -2.297 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.115 -7.718 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.675 -5.362 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.160 -5.962 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.267 -4.913 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.953 -6.271 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.515 -5.861 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.910 -7.533 0.308 1.00 0.00 H new ATOM 1433 N ARG A 98 -8.008 -9.859 -1.221 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.942 -11.157 -0.561 1.00 0.00 C ATOM 1435 C ARG A 98 -6.578 -11.807 -0.774 1.00 0.00 C ATOM 1436 O ARG A 98 -6.090 -11.896 -1.900 1.00 0.00 O ATOM 1437 CB ARG A 98 -9.045 -12.078 -1.087 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.525 -13.098 -0.068 1.00 0.00 C ATOM 1439 CD ARG A 98 -10.396 -14.164 -0.714 1.00 0.00 C ATOM 1440 NE ARG A 98 -11.672 -13.622 -1.175 1.00 0.00 N ATOM 1441 CZ ARG A 98 -12.742 -14.369 -1.423 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -12.690 -15.683 -1.254 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -13.866 -13.802 -1.840 1.00 0.00 N ATOM 0 H ARG A 98 -8.036 -9.905 -2.240 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.088 -11.000 0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.892 -11.471 -1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.678 -12.603 -1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.666 -13.569 0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.088 -12.593 0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.864 -14.605 -1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.580 -14.965 0.002 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.745 -12.614 -1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.827 -16.122 -0.933 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.513 -16.255 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.909 -12.791 -1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.687 -14.377 -2.030 1.00 0.00 H new ATOM 1457 N VAL A 99 -5.967 -12.258 0.317 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.659 -12.900 0.250 1.00 0.00 C ATOM 1459 C VAL A 99 -4.788 -14.371 -0.128 1.00 0.00 C ATOM 1460 O VAL A 99 -5.715 -15.055 0.302 1.00 0.00 O ATOM 1461 CB VAL A 99 -3.911 -12.790 1.592 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.655 -13.547 2.682 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.487 -13.305 1.451 1.00 0.00 C ATOM 0 H VAL A 99 -6.356 -12.191 1.257 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.089 -12.379 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.867 -11.739 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.112 -13.458 3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.654 -13.128 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.733 -14.599 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.973 -13.220 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.507 -14.350 1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.959 -12.715 0.702 1.00 0.00 H new ATOM 1473 N GLY A 100 -3.849 -14.853 -0.938 1.00 0.00 N ATOM 1474 CA GLY A 100 -3.875 -16.241 -1.361 1.00 0.00 C ATOM 1475 C GLY A 100 -4.055 -16.387 -2.859 1.00 0.00 C ATOM 1476 O GLY A 100 -4.854 -15.676 -3.466 1.00 0.00 O ATOM 0 H GLY A 100 -3.071 -14.307 -1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.947 -16.727 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.686 -16.759 -0.849 1.00 0.00 H new