USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 745 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 77 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -154:sc= -0.0802 (180deg=-2.05!) USER MOD Set 1.3: A 92 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 76 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.079) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 41 SER OG : rot -90:sc= 0.328 USER MOD Set 3.2: A 50 HIS :FLIP no HD1:sc= -0.73 F(o=-4.3,f=-0.4) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 160:sc= -4.81! USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.8) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 11:sc= 0.466 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= -12.4! (180deg=-15.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.15 USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= -0.918 (180deg=-1.86!) USER MOD Single : A 48 ASN : amide:sc= -0.861 K(o=-0.86,f=-4.4!) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00618) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.24 K(o=-1.2,f=-4.9!) USER MOD Single : A 58 ASN :FLIP amide:sc= -3.21! C(o=-4.2!,f=-3.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -58:sc= 0.498 USER MOD Single : A 64 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.99) USER MOD Single : A 68 HIS : no HD1:sc= -0.968 K(o=-0.97,f=-1.7) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 70 MET CE :methyl 180:sc= -0.16 (180deg=-0.16) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.24) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TRP A 3 8.199 3.123 10.185 1.00 0.00 N ATOM 43 CA TRP A 3 6.979 3.774 9.725 1.00 0.00 C ATOM 44 C TRP A 3 7.016 5.268 10.034 1.00 0.00 C ATOM 45 O TRP A 3 6.840 5.682 11.179 1.00 0.00 O ATOM 46 CB TRP A 3 5.748 3.130 10.371 1.00 0.00 C ATOM 47 CG TRP A 3 5.826 3.046 11.867 1.00 0.00 C ATOM 48 CD1 TRP A 3 5.453 4.007 12.762 1.00 0.00 C ATOM 49 CD2 TRP A 3 6.302 1.939 12.641 1.00 0.00 C ATOM 50 NE1 TRP A 3 5.671 3.566 14.045 1.00 0.00 N ATOM 51 CE2 TRP A 3 6.190 2.300 13.998 1.00 0.00 C ATOM 52 CE3 TRP A 3 6.810 0.677 12.320 1.00 0.00 C ATOM 53 CZ2 TRP A 3 6.570 1.445 15.030 1.00 0.00 C ATOM 54 CZ3 TRP A 3 7.187 -0.170 13.346 1.00 0.00 C ATOM 55 CH2 TRP A 3 7.064 0.217 14.686 1.00 0.00 C ATOM 0 HA TRP A 3 6.912 3.645 8.645 1.00 0.00 H new ATOM 0 HB2 TRP A 3 4.862 3.702 10.094 1.00 0.00 H new ATOM 0 HB3 TRP A 3 5.619 2.126 9.966 1.00 0.00 H new ATOM 0 HD1 TRP A 3 5.046 4.973 12.500 1.00 0.00 H new ATOM 0 HE1 TRP A 3 5.477 4.096 14.895 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.906 0.369 11.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 6.478 1.741 16.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 7.583 -1.147 13.110 1.00 0.00 H new ATOM 0 HH2 TRP A 3 7.366 -0.469 15.464 1.00 0.00 H new ATOM 66 N TYR A 4 7.254 6.073 9.005 1.00 0.00 N ATOM 67 CA TYR A 4 7.322 7.521 9.167 1.00 0.00 C ATOM 68 C TYR A 4 5.924 8.120 9.304 1.00 0.00 C ATOM 69 O TYR A 4 5.467 8.865 8.437 1.00 0.00 O ATOM 70 CB TYR A 4 8.058 8.152 7.981 1.00 0.00 C ATOM 71 CG TYR A 4 9.412 8.718 8.342 1.00 0.00 C ATOM 72 CD1 TYR A 4 9.559 9.585 9.417 1.00 0.00 C ATOM 73 CD2 TYR A 4 10.543 8.385 7.608 1.00 0.00 C ATOM 74 CE1 TYR A 4 10.795 10.105 9.750 1.00 0.00 C ATOM 75 CE2 TYR A 4 11.783 8.900 7.935 1.00 0.00 C ATOM 76 CZ TYR A 4 11.904 9.759 9.007 1.00 0.00 C ATOM 77 OH TYR A 4 13.136 10.275 9.336 1.00 0.00 O ATOM 0 H TYR A 4 7.403 5.748 8.050 1.00 0.00 H new ATOM 0 HA TYR A 4 7.875 7.738 10.081 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.183 7.401 7.201 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.441 8.947 7.562 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.693 9.857 10.002 1.00 0.00 H new ATOM 0 HD2 TYR A 4 10.452 7.713 6.768 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.892 10.779 10.588 1.00 0.00 H new ATOM 0 HE2 TYR A 4 12.653 8.631 7.354 1.00 0.00 H new ATOM 0 HH TYR A 4 13.811 9.931 8.715 1.00 0.00 H new ATOM 129 N VAL A 8 4.187 8.350 4.021 1.00 0.00 N ATOM 130 CA VAL A 8 5.100 7.361 3.456 1.00 0.00 C ATOM 131 C VAL A 8 5.034 7.371 1.932 1.00 0.00 C ATOM 132 O VAL A 8 4.397 8.237 1.345 1.00 0.00 O ATOM 133 CB VAL A 8 4.775 5.939 3.965 1.00 0.00 C ATOM 134 CG1 VAL A 8 6.053 5.163 4.239 1.00 0.00 C ATOM 135 CG2 VAL A 8 3.901 5.993 5.211 1.00 0.00 C ATOM 0 HA VAL A 8 6.105 7.631 3.779 1.00 0.00 H new ATOM 0 HB VAL A 8 4.218 5.420 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.803 4.164 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.635 5.084 3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.639 5.683 4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.687 4.979 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.424 6.535 5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.966 6.503 4.978 1.00 0.00 H new ATOM 145 N THR A 9 5.692 6.396 1.303 1.00 0.00 N ATOM 146 CA THR A 9 5.709 6.275 -0.162 1.00 0.00 C ATOM 147 C THR A 9 5.947 7.625 -0.839 1.00 0.00 C ATOM 148 O THR A 9 6.198 8.625 -0.169 1.00 0.00 O ATOM 149 CB THR A 9 4.429 5.603 -0.685 1.00 0.00 C ATOM 150 OG1 THR A 9 3.734 4.942 0.356 1.00 0.00 O ATOM 151 CG2 THR A 9 4.682 4.582 -1.773 1.00 0.00 C ATOM 0 H THR A 9 6.225 5.672 1.786 1.00 0.00 H new ATOM 0 HA THR A 9 6.549 5.631 -0.422 1.00 0.00 H new ATOM 0 HB THR A 9 3.839 6.420 -1.099 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.801 4.805 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.734 4.149 -2.093 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.165 5.067 -2.622 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.329 3.794 -1.389 1.00 0.00 H new ATOM 159 N ARG A 10 5.918 7.635 -2.175 1.00 0.00 N ATOM 160 CA ARG A 10 6.174 8.846 -2.954 1.00 0.00 C ATOM 161 C ARG A 10 7.659 9.170 -2.892 1.00 0.00 C ATOM 162 O ARG A 10 8.347 9.210 -3.912 1.00 0.00 O ATOM 163 CB ARG A 10 5.327 10.014 -2.434 1.00 0.00 C ATOM 164 CG ARG A 10 5.955 11.389 -2.626 1.00 0.00 C ATOM 165 CD ARG A 10 5.105 12.483 -1.999 1.00 0.00 C ATOM 166 NE ARG A 10 5.552 13.817 -2.395 1.00 0.00 N ATOM 167 CZ ARG A 10 6.630 14.417 -1.895 1.00 0.00 C ATOM 168 NH1 ARG A 10 7.370 13.811 -0.975 1.00 0.00 N ATOM 169 NH2 ARG A 10 6.969 15.629 -2.314 1.00 0.00 N ATOM 0 H ARG A 10 5.718 6.811 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 10 5.891 8.679 -3.993 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.361 9.997 -2.938 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.135 9.862 -1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.950 11.401 -2.182 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.079 11.588 -3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.064 12.347 -2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.144 12.395 -0.913 1.00 0.00 H new ATOM 0 HE ARG A 10 5.006 14.318 -3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.114 12.880 -0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.195 14.276 -0.596 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.404 16.101 -3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.795 16.089 -1.931 1.00 0.00 H new ATOM 183 N HIS A 11 8.148 9.355 -1.676 1.00 0.00 N ATOM 184 CA HIS A 11 9.556 9.624 -1.443 1.00 0.00 C ATOM 185 C HIS A 11 10.210 8.347 -0.935 1.00 0.00 C ATOM 186 O HIS A 11 11.344 8.021 -1.288 1.00 0.00 O ATOM 187 CB HIS A 11 9.727 10.754 -0.425 1.00 0.00 C ATOM 188 CG HIS A 11 11.149 10.994 -0.021 1.00 0.00 C ATOM 189 ND1 HIS A 11 12.084 11.559 -0.861 1.00 0.00 N ATOM 190 CD2 HIS A 11 11.794 10.743 1.143 1.00 0.00 C ATOM 191 CE1 HIS A 11 13.243 11.646 -0.232 1.00 0.00 C ATOM 192 NE2 HIS A 11 13.093 11.157 0.985 1.00 0.00 N ATOM 0 H HIS A 11 7.583 9.323 -0.828 1.00 0.00 H new ATOM 0 HA HIS A 11 10.030 9.941 -2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.318 11.673 -0.845 1.00 0.00 H new ATOM 0 HB3 HIS A 11 9.141 10.521 0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 11 11.366 10.300 2.030 1.00 0.00 H new ATOM 0 HE1 HIS A 11 14.157 12.048 -0.643 1.00 0.00 H new ATOM 0 HE2 HIS A 11 13.824 11.097 1.693 1.00 0.00 H new ATOM 201 N GLN A 12 9.458 7.620 -0.113 1.00 0.00 N ATOM 202 CA GLN A 12 9.918 6.362 0.447 1.00 0.00 C ATOM 203 C GLN A 12 9.809 5.246 -0.585 1.00 0.00 C ATOM 204 O GLN A 12 10.656 4.357 -0.635 1.00 0.00 O ATOM 205 CB GLN A 12 9.105 6.007 1.692 1.00 0.00 C ATOM 206 CG GLN A 12 9.093 7.106 2.742 1.00 0.00 C ATOM 207 CD GLN A 12 10.100 6.863 3.849 1.00 0.00 C ATOM 208 OE1 GLN A 12 10.219 5.751 4.364 1.00 0.00 O ATOM 209 NE2 GLN A 12 10.832 7.906 4.221 1.00 0.00 N ATOM 0 H GLN A 12 8.518 7.888 0.180 1.00 0.00 H new ATOM 0 HA GLN A 12 10.965 6.474 0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.079 5.787 1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.511 5.097 2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.307 8.062 2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.095 7.181 3.173 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.700 8.810 3.767 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.526 7.804 4.961 1.00 0.00 H new ATOM 218 N ALA A 13 8.762 5.291 -1.413 1.00 0.00 N ATOM 219 CA ALA A 13 8.568 4.269 -2.436 1.00 0.00 C ATOM 220 C ALA A 13 9.770 4.188 -3.370 1.00 0.00 C ATOM 221 O ALA A 13 10.006 3.163 -4.005 1.00 0.00 O ATOM 222 CB ALA A 13 7.300 4.535 -3.222 1.00 0.00 C ATOM 0 H ALA A 13 8.045 6.016 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 13 8.469 3.307 -1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.173 3.762 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.444 4.525 -2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.369 5.509 -3.705 1.00 0.00 H new ATOM 228 N GLU A 14 10.542 5.262 -3.439 1.00 0.00 N ATOM 229 CA GLU A 14 11.727 5.272 -4.281 1.00 0.00 C ATOM 230 C GLU A 14 12.919 4.867 -3.449 1.00 0.00 C ATOM 231 O GLU A 14 13.659 3.959 -3.800 1.00 0.00 O ATOM 232 CB GLU A 14 11.984 6.638 -4.903 1.00 0.00 C ATOM 233 CG GLU A 14 10.753 7.512 -4.996 1.00 0.00 C ATOM 234 CD GLU A 14 10.036 7.379 -6.326 1.00 0.00 C ATOM 235 OE1 GLU A 14 10.655 7.684 -7.367 1.00 0.00 O ATOM 236 OE2 GLU A 14 8.856 6.970 -6.325 1.00 0.00 O ATOM 0 H GLU A 14 10.372 6.128 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 14 11.565 4.569 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.742 7.157 -4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.395 6.499 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.066 7.251 -4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.040 8.553 -4.846 1.00 0.00 H new ATOM 243 N CYS A 15 13.080 5.540 -2.323 1.00 0.00 N ATOM 244 CA CYS A 15 14.174 5.236 -1.411 1.00 0.00 C ATOM 245 C CYS A 15 14.038 3.812 -0.864 1.00 0.00 C ATOM 246 O CYS A 15 14.970 3.278 -0.265 1.00 0.00 O ATOM 247 CB CYS A 15 14.202 6.239 -0.257 1.00 0.00 C ATOM 248 SG CYS A 15 15.864 6.642 0.331 1.00 0.00 S ATOM 0 H CYS A 15 12.470 6.298 -2.017 1.00 0.00 H new ATOM 0 HA CYS A 15 15.110 5.310 -1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 15 13.708 7.157 -0.576 1.00 0.00 H new ATOM 0 HB3 CYS A 15 13.622 5.837 0.574 1.00 0.00 H new ATOM 0 HG CYS A 15 15.784 7.499 1.306 1.00 0.00 H new ATOM 254 N ALA A 16 12.865 3.206 -1.069 1.00 0.00 N ATOM 255 CA ALA A 16 12.605 1.854 -0.590 1.00 0.00 C ATOM 256 C ALA A 16 12.605 0.840 -1.730 1.00 0.00 C ATOM 257 O ALA A 16 13.009 -0.308 -1.550 1.00 0.00 O ATOM 258 CB ALA A 16 11.266 1.816 0.126 1.00 0.00 C ATOM 0 H ALA A 16 12.083 3.634 -1.564 1.00 0.00 H new ATOM 0 HA ALA A 16 13.406 1.583 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.073 0.805 0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.286 2.502 0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.476 2.114 -0.564 1.00 0.00 H new ATOM 264 N LEU A 17 12.145 1.268 -2.902 1.00 0.00 N ATOM 265 CA LEU A 17 12.089 0.392 -4.068 1.00 0.00 C ATOM 266 C LEU A 17 13.018 0.874 -5.165 1.00 0.00 C ATOM 267 O LEU A 17 12.970 0.388 -6.291 1.00 0.00 O ATOM 268 CB LEU A 17 10.675 0.321 -4.623 1.00 0.00 C ATOM 269 CG LEU A 17 9.551 0.419 -3.590 1.00 0.00 C ATOM 270 CD1 LEU A 17 8.263 -0.123 -4.164 1.00 0.00 C ATOM 271 CD2 LEU A 17 9.900 -0.309 -2.297 1.00 0.00 C ATOM 0 H LEU A 17 11.806 2.215 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 17 12.406 -0.598 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.548 1.125 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.564 -0.618 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 17 9.421 1.474 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.472 -0.047 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.987 0.454 -5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.400 -1.168 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.074 -0.214 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.076 -1.363 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.799 0.129 -1.864 1.00 0.00 H new ATOM 283 N ASN A 18 13.848 1.842 -4.829 1.00 0.00 N ATOM 284 CA ASN A 18 14.801 2.417 -5.775 1.00 0.00 C ATOM 285 C ASN A 18 15.446 1.327 -6.630 1.00 0.00 C ATOM 286 O ASN A 18 15.808 1.558 -7.784 1.00 0.00 O ATOM 287 CB ASN A 18 15.892 3.186 -5.026 1.00 0.00 C ATOM 288 CG ASN A 18 16.108 4.577 -5.588 1.00 0.00 C ATOM 289 OD1 ASN A 18 15.565 5.557 -5.078 1.00 0.00 O ATOM 290 ND2 ASN A 18 16.905 4.670 -6.646 1.00 0.00 N ATOM 0 H ASN A 18 13.886 2.255 -3.897 1.00 0.00 H new ATOM 0 HA ASN A 18 14.256 3.100 -6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 18 15.622 3.261 -3.973 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.827 2.627 -5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.088 5.580 -7.068 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.334 3.831 -7.036 1.00 0.00 H new ATOM 297 N GLU A 19 15.592 0.140 -6.044 1.00 0.00 N ATOM 298 CA GLU A 19 16.201 -0.990 -6.737 1.00 0.00 C ATOM 299 C GLU A 19 15.243 -1.616 -7.747 1.00 0.00 C ATOM 300 O GLU A 19 15.680 -2.223 -8.725 1.00 0.00 O ATOM 301 CB GLU A 19 16.656 -2.047 -5.729 1.00 0.00 C ATOM 302 CG GLU A 19 17.435 -3.190 -6.358 1.00 0.00 C ATOM 303 CD GLU A 19 18.924 -2.913 -6.429 1.00 0.00 C ATOM 304 OE1 GLU A 19 19.482 -2.405 -5.433 1.00 0.00 O ATOM 305 OE2 GLU A 19 19.533 -3.205 -7.480 1.00 0.00 O ATOM 0 H GLU A 19 15.296 -0.063 -5.089 1.00 0.00 H new ATOM 0 HA GLU A 19 17.066 -0.613 -7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.276 -1.570 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.782 -2.451 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.266 -4.100 -5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.055 -3.374 -7.363 1.00 0.00 H new ATOM 312 N ARG A 20 13.938 -1.474 -7.512 1.00 0.00 N ATOM 313 CA ARG A 20 12.933 -2.035 -8.413 1.00 0.00 C ATOM 314 C ARG A 20 12.794 -3.539 -8.199 1.00 0.00 C ATOM 315 O ARG A 20 13.569 -4.331 -8.733 1.00 0.00 O ATOM 316 CB ARG A 20 13.288 -1.742 -9.875 1.00 0.00 C ATOM 317 CG ARG A 20 12.076 -1.584 -10.779 1.00 0.00 C ATOM 318 CD ARG A 20 11.515 -2.931 -11.206 1.00 0.00 C ATOM 319 NE ARG A 20 11.983 -3.323 -12.534 1.00 0.00 N ATOM 320 CZ ARG A 20 13.042 -4.101 -12.755 1.00 0.00 C ATOM 321 NH1 ARG A 20 13.751 -4.583 -11.740 1.00 0.00 N ATOM 322 NH2 ARG A 20 13.393 -4.402 -13.998 1.00 0.00 N ATOM 0 H ARG A 20 13.554 -0.977 -6.708 1.00 0.00 H new ATOM 0 HA ARG A 20 11.978 -1.561 -8.186 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.884 -0.831 -9.919 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.912 -2.550 -10.257 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.305 -1.017 -10.258 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.353 -1.008 -11.662 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.805 -3.691 -10.480 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.426 -2.887 -11.204 1.00 0.00 H new ATOM 0 HE ARG A 20 11.466 -2.979 -13.343 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.486 -4.358 -10.781 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.560 -5.178 -11.920 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.853 -4.038 -14.783 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.203 -4.997 -14.169 1.00 0.00 H new ATOM 336 N GLY A 21 11.794 -3.917 -7.412 1.00 0.00 N ATOM 337 CA GLY A 21 11.552 -5.325 -7.128 1.00 0.00 C ATOM 338 C GLY A 21 12.323 -5.846 -5.918 1.00 0.00 C ATOM 339 O GLY A 21 13.400 -6.423 -6.065 1.00 0.00 O ATOM 0 H GLY A 21 11.143 -3.274 -6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.485 -5.475 -6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.824 -5.915 -8.003 1.00 0.00 H new ATOM 343 N VAL A 22 11.760 -5.653 -4.723 1.00 0.00 N ATOM 344 CA VAL A 22 12.384 -6.119 -3.481 1.00 0.00 C ATOM 345 C VAL A 22 11.367 -6.847 -2.608 1.00 0.00 C ATOM 346 O VAL A 22 10.348 -6.271 -2.229 1.00 0.00 O ATOM 347 CB VAL A 22 12.980 -4.964 -2.642 1.00 0.00 C ATOM 348 CG1 VAL A 22 14.064 -5.487 -1.712 1.00 0.00 C ATOM 349 CG2 VAL A 22 13.518 -3.849 -3.520 1.00 0.00 C ATOM 0 H VAL A 22 10.869 -5.175 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 22 13.189 -6.788 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 22 12.174 -4.544 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.473 -4.662 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.638 -6.231 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.859 -5.944 -2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.928 -3.057 -2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.302 -4.242 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.711 -3.446 -4.132 1.00 0.00 H new ATOM 359 N GLU A 23 11.660 -8.108 -2.283 1.00 0.00 N ATOM 360 CA GLU A 23 10.784 -8.934 -1.439 1.00 0.00 C ATOM 361 C GLU A 23 9.319 -8.482 -1.510 1.00 0.00 C ATOM 362 O GLU A 23 8.579 -8.903 -2.399 1.00 0.00 O ATOM 363 CB GLU A 23 11.278 -8.927 0.014 1.00 0.00 C ATOM 364 CG GLU A 23 12.094 -7.697 0.385 1.00 0.00 C ATOM 365 CD GLU A 23 12.701 -7.794 1.772 1.00 0.00 C ATOM 366 OE1 GLU A 23 12.791 -8.921 2.303 1.00 0.00 O ATOM 367 OE2 GLU A 23 13.087 -6.744 2.326 1.00 0.00 O ATOM 0 H GLU A 23 12.506 -8.586 -2.594 1.00 0.00 H new ATOM 0 HA GLU A 23 10.828 -9.952 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.417 -8.994 0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.883 -9.817 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.890 -7.560 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.457 -6.814 0.332 1.00 0.00 H new ATOM 374 N GLY A 24 8.903 -7.624 -0.574 1.00 0.00 N ATOM 375 CA GLY A 24 7.535 -7.146 -0.569 1.00 0.00 C ATOM 376 C GLY A 24 7.378 -5.843 0.184 1.00 0.00 C ATOM 377 O GLY A 24 6.902 -5.839 1.314 1.00 0.00 O ATOM 0 H GLY A 24 9.490 -7.256 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.197 -7.011 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.891 -7.902 -0.119 1.00 0.00 H new ATOM 381 N ASP A 25 7.778 -4.732 -0.434 1.00 0.00 N ATOM 382 CA ASP A 25 7.664 -3.429 0.206 1.00 0.00 C ATOM 383 C ASP A 25 6.385 -2.714 -0.234 1.00 0.00 C ATOM 384 O ASP A 25 6.175 -2.472 -1.422 1.00 0.00 O ATOM 385 CB ASP A 25 8.886 -2.572 -0.119 1.00 0.00 C ATOM 386 CG ASP A 25 9.730 -2.274 1.106 1.00 0.00 C ATOM 387 OD1 ASP A 25 10.452 -3.183 1.565 1.00 0.00 O ATOM 388 OD2 ASP A 25 9.669 -1.130 1.606 1.00 0.00 O ATOM 0 H ASP A 25 8.181 -4.711 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 25 7.616 -3.582 1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.498 -3.084 -0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.559 -1.634 -0.568 1.00 0.00 H new ATOM 393 N PHE A 26 5.547 -2.366 0.740 1.00 0.00 N ATOM 394 CA PHE A 26 4.288 -1.666 0.485 1.00 0.00 C ATOM 395 C PHE A 26 4.169 -0.485 1.422 1.00 0.00 C ATOM 396 O PHE A 26 4.406 -0.605 2.625 1.00 0.00 O ATOM 397 CB PHE A 26 3.081 -2.593 0.694 1.00 0.00 C ATOM 398 CG PHE A 26 2.022 -2.524 -0.388 1.00 0.00 C ATOM 399 CD1 PHE A 26 1.877 -1.392 -1.169 1.00 0.00 C ATOM 400 CD2 PHE A 26 1.160 -3.594 -0.610 1.00 0.00 C ATOM 401 CE1 PHE A 26 0.901 -1.323 -2.151 1.00 0.00 C ATOM 402 CE2 PHE A 26 0.180 -3.531 -1.587 1.00 0.00 C ATOM 403 CZ PHE A 26 0.051 -2.393 -2.360 1.00 0.00 C ATOM 0 H PHE A 26 5.720 -2.560 1.726 1.00 0.00 H new ATOM 0 HA PHE A 26 4.292 -1.330 -0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.439 -3.620 0.765 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.618 -2.350 1.650 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.534 -0.549 -1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.257 -4.488 -0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.805 -0.432 -2.754 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.482 -4.370 -1.744 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.710 -2.340 -3.124 1.00 0.00 H new ATOM 413 N LEU A 27 3.807 0.651 0.870 1.00 0.00 N ATOM 414 CA LEU A 27 3.664 1.860 1.678 1.00 0.00 C ATOM 415 C LEU A 27 2.515 2.735 1.184 1.00 0.00 C ATOM 416 O LEU A 27 2.283 2.847 -0.020 1.00 0.00 O ATOM 417 CB LEU A 27 4.978 2.650 1.706 1.00 0.00 C ATOM 418 CG LEU A 27 5.935 2.387 0.539 1.00 0.00 C ATOM 419 CD1 LEU A 27 6.978 3.490 0.453 1.00 0.00 C ATOM 420 CD2 LEU A 27 6.608 1.030 0.691 1.00 0.00 C ATOM 0 H LEU A 27 3.606 0.772 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 27 3.425 1.551 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.741 3.714 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.498 2.423 2.637 1.00 0.00 H new ATOM 0 HG LEU A 27 5.357 2.380 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.651 3.290 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.482 4.448 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.549 3.524 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.283 0.863 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.174 1.007 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.849 0.247 0.708 1.00 0.00 H new ATOM 432 N ILE A 28 1.796 3.337 2.136 1.00 0.00 N ATOM 433 CA ILE A 28 0.646 4.196 1.836 1.00 0.00 C ATOM 434 C ILE A 28 0.883 5.621 2.328 1.00 0.00 C ATOM 435 O ILE A 28 1.492 5.832 3.377 1.00 0.00 O ATOM 436 CB ILE A 28 -0.644 3.637 2.480 1.00 0.00 C ATOM 437 CG1 ILE A 28 -0.567 2.117 2.540 1.00 0.00 C ATOM 438 CG2 ILE A 28 -1.887 4.070 1.710 1.00 0.00 C ATOM 439 CD1 ILE A 28 -1.854 1.426 2.155 1.00 0.00 C ATOM 0 H ILE A 28 1.993 3.243 3.132 1.00 0.00 H new ATOM 0 HA ILE A 28 0.525 4.211 0.753 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.724 4.040 3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.229 1.776 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.292 1.816 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.775 3.659 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.950 5.158 1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.827 3.703 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.721 0.346 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.650 1.736 2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.120 1.696 1.133 1.00 0.00 H new ATOM 451 N ARG A 29 0.418 6.597 1.554 1.00 0.00 N ATOM 452 CA ARG A 29 0.603 8.003 1.904 1.00 0.00 C ATOM 453 C ARG A 29 -0.711 8.773 1.864 1.00 0.00 C ATOM 454 O ARG A 29 -1.652 8.383 1.176 1.00 0.00 O ATOM 455 CB ARG A 29 1.601 8.661 0.948 1.00 0.00 C ATOM 456 CG ARG A 29 2.184 7.705 -0.080 1.00 0.00 C ATOM 457 CD ARG A 29 3.112 8.423 -1.055 1.00 0.00 C ATOM 458 NE ARG A 29 2.422 9.471 -1.802 1.00 0.00 N ATOM 459 CZ ARG A 29 2.276 10.721 -1.369 1.00 0.00 C ATOM 460 NH1 ARG A 29 2.772 11.090 -0.194 1.00 0.00 N ATOM 461 NH2 ARG A 29 1.633 11.608 -2.116 1.00 0.00 N ATOM 0 H ARG A 29 -0.088 6.442 0.682 1.00 0.00 H new ATOM 0 HA ARG A 29 0.989 8.034 2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.106 9.481 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.414 9.096 1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.733 6.913 0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.375 7.227 -0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.946 8.860 -0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.534 7.699 -1.753 1.00 0.00 H new ATOM 0 HE ARG A 29 2.028 9.230 -2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.270 10.413 0.385 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.655 12.050 0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.251 11.332 -3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.520 12.566 -1.786 1.00 0.00 H new ATOM 475 N ASP A 30 -0.752 9.882 2.597 1.00 0.00 N ATOM 476 CA ASP A 30 -1.935 10.733 2.639 1.00 0.00 C ATOM 477 C ASP A 30 -1.752 11.937 1.722 1.00 0.00 C ATOM 478 O ASP A 30 -0.718 12.605 1.762 1.00 0.00 O ATOM 479 CB ASP A 30 -2.202 11.209 4.068 1.00 0.00 C ATOM 480 CG ASP A 30 -3.506 11.974 4.190 1.00 0.00 C ATOM 481 OD1 ASP A 30 -4.433 11.699 3.399 1.00 0.00 O ATOM 482 OD2 ASP A 30 -3.601 12.848 5.078 1.00 0.00 O ATOM 0 H ASP A 30 0.024 10.212 3.171 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.789 10.149 2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.225 10.348 4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.379 11.845 4.396 1.00 0.00 H new ATOM 487 N SER A 31 -2.753 12.211 0.895 1.00 0.00 N ATOM 488 CA SER A 31 -2.686 13.337 -0.029 1.00 0.00 C ATOM 489 C SER A 31 -3.307 14.588 0.587 1.00 0.00 C ATOM 490 O SER A 31 -4.519 14.791 0.514 1.00 0.00 O ATOM 491 CB SER A 31 -3.387 12.990 -1.344 1.00 0.00 C ATOM 492 OG SER A 31 -2.551 13.269 -2.454 1.00 0.00 O ATOM 0 H SER A 31 -3.617 11.672 0.845 1.00 0.00 H new ATOM 0 HA SER A 31 -1.636 13.544 -0.234 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.661 11.935 -1.347 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.312 13.560 -1.429 1.00 0.00 H new ATOM 0 HG SER A 31 -3.020 13.038 -3.283 1.00 0.00 H new ATOM 498 N GLU A 32 -2.465 15.422 1.194 1.00 0.00 N ATOM 499 CA GLU A 32 -2.918 16.659 1.829 1.00 0.00 C ATOM 500 C GLU A 32 -3.914 17.411 0.947 1.00 0.00 C ATOM 501 O GLU A 32 -4.796 18.109 1.448 1.00 0.00 O ATOM 502 CB GLU A 32 -1.722 17.559 2.142 1.00 0.00 C ATOM 503 CG GLU A 32 -1.006 18.076 0.902 1.00 0.00 C ATOM 504 CD GLU A 32 0.478 17.763 0.909 1.00 0.00 C ATOM 505 OE1 GLU A 32 1.065 17.693 2.009 1.00 0.00 O ATOM 506 OE2 GLU A 32 1.053 17.587 -0.186 1.00 0.00 O ATOM 0 H GLU A 32 -1.460 15.263 1.260 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.424 16.389 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.062 18.408 2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.012 17.005 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.462 17.636 0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.145 19.155 0.830 1.00 0.00 H new ATOM 513 N SER A 33 -3.769 17.264 -0.367 1.00 0.00 N ATOM 514 CA SER A 33 -4.659 17.929 -1.315 1.00 0.00 C ATOM 515 C SER A 33 -6.121 17.669 -0.966 1.00 0.00 C ATOM 516 O SER A 33 -6.996 18.483 -1.260 1.00 0.00 O ATOM 517 CB SER A 33 -4.371 17.452 -2.740 1.00 0.00 C ATOM 518 OG SER A 33 -5.194 18.123 -3.678 1.00 0.00 O ATOM 0 H SER A 33 -3.045 16.691 -0.800 1.00 0.00 H new ATOM 0 HA SER A 33 -4.475 19.002 -1.254 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.322 17.627 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.538 16.377 -2.808 1.00 0.00 H new ATOM 0 HG SER A 33 -4.990 17.802 -4.581 1.00 0.00 H new ATOM 524 N SER A 34 -6.375 16.528 -0.332 1.00 0.00 N ATOM 525 CA SER A 34 -7.727 16.155 0.067 1.00 0.00 C ATOM 526 C SER A 34 -7.692 15.228 1.279 1.00 0.00 C ATOM 527 O SER A 34 -6.800 14.388 1.401 1.00 0.00 O ATOM 528 CB SER A 34 -8.455 15.472 -1.092 1.00 0.00 C ATOM 529 OG SER A 34 -8.867 16.416 -2.065 1.00 0.00 O ATOM 0 H SER A 34 -5.660 15.845 -0.083 1.00 0.00 H new ATOM 0 HA SER A 34 -8.266 17.063 0.337 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.799 14.734 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.324 14.934 -0.713 1.00 0.00 H new ATOM 0 HG SER A 34 -8.445 17.281 -1.881 1.00 0.00 H new ATOM 535 N PRO A 35 -8.664 15.366 2.197 1.00 0.00 N ATOM 536 CA PRO A 35 -8.732 14.535 3.403 1.00 0.00 C ATOM 537 C PRO A 35 -9.194 13.107 3.113 1.00 0.00 C ATOM 538 O PRO A 35 -9.250 12.272 4.016 1.00 0.00 O ATOM 539 CB PRO A 35 -9.760 15.261 4.270 1.00 0.00 C ATOM 540 CG PRO A 35 -10.646 15.959 3.297 1.00 0.00 C ATOM 541 CD PRO A 35 -9.769 16.343 2.136 1.00 0.00 C ATOM 0 HA PRO A 35 -7.754 14.422 3.871 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.323 14.561 4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.280 15.968 4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.458 15.308 2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.103 16.840 3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.307 16.281 1.190 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.405 17.366 2.230 1.00 0.00 H new ATOM 549 N SER A 36 -9.528 12.830 1.854 1.00 0.00 N ATOM 550 CA SER A 36 -9.987 11.503 1.463 1.00 0.00 C ATOM 551 C SER A 36 -9.192 10.975 0.270 1.00 0.00 C ATOM 552 O SER A 36 -9.765 10.460 -0.691 1.00 0.00 O ATOM 553 CB SER A 36 -11.479 11.540 1.125 1.00 0.00 C ATOM 554 OG SER A 36 -12.244 11.969 2.239 1.00 0.00 O ATOM 0 H SER A 36 -9.489 13.506 1.091 1.00 0.00 H new ATOM 0 HA SER A 36 -9.827 10.828 2.304 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.648 12.212 0.283 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.809 10.549 0.813 1.00 0.00 H new ATOM 0 HG SER A 36 -13.193 11.986 1.997 1.00 0.00 H new ATOM 560 N ASP A 37 -7.870 11.105 0.338 1.00 0.00 N ATOM 561 CA ASP A 37 -7.002 10.638 -0.738 1.00 0.00 C ATOM 562 C ASP A 37 -5.705 10.052 -0.185 1.00 0.00 C ATOM 563 O ASP A 37 -4.991 10.702 0.578 1.00 0.00 O ATOM 564 CB ASP A 37 -6.687 11.782 -1.703 1.00 0.00 C ATOM 565 CG ASP A 37 -6.733 11.342 -3.154 1.00 0.00 C ATOM 566 OD1 ASP A 37 -6.511 10.142 -3.418 1.00 0.00 O ATOM 567 OD2 ASP A 37 -6.990 12.199 -4.026 1.00 0.00 O ATOM 0 H ASP A 37 -7.378 11.529 1.125 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.531 9.852 -1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.401 12.591 -1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.698 12.182 -1.478 1.00 0.00 H new ATOM 572 N PHE A 38 -5.408 8.819 -0.584 1.00 0.00 N ATOM 573 CA PHE A 38 -4.199 8.132 -0.142 1.00 0.00 C ATOM 574 C PHE A 38 -3.620 7.289 -1.276 1.00 0.00 C ATOM 575 O PHE A 38 -4.353 6.827 -2.143 1.00 0.00 O ATOM 576 CB PHE A 38 -4.503 7.241 1.066 1.00 0.00 C ATOM 577 CG PHE A 38 -4.779 8.009 2.327 1.00 0.00 C ATOM 578 CD1 PHE A 38 -5.956 8.725 2.475 1.00 0.00 C ATOM 579 CD2 PHE A 38 -3.862 8.012 3.366 1.00 0.00 C ATOM 580 CE1 PHE A 38 -6.212 9.431 3.635 1.00 0.00 C ATOM 581 CE2 PHE A 38 -4.113 8.716 4.529 1.00 0.00 C ATOM 582 CZ PHE A 38 -5.290 9.427 4.663 1.00 0.00 C ATOM 0 H PHE A 38 -5.992 8.272 -1.217 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.465 8.883 0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.365 6.614 0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.659 6.573 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.681 8.731 1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.940 7.458 3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -7.133 9.986 3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.390 8.710 5.331 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.489 9.979 5.570 1.00 0.00 H new ATOM 592 N SER A 39 -2.303 7.097 -1.271 1.00 0.00 N ATOM 593 CA SER A 39 -1.642 6.308 -2.311 1.00 0.00 C ATOM 594 C SER A 39 -0.717 5.256 -1.712 1.00 0.00 C ATOM 595 O SER A 39 -0.026 5.523 -0.733 1.00 0.00 O ATOM 596 CB SER A 39 -0.822 7.214 -3.221 1.00 0.00 C ATOM 597 OG SER A 39 -1.093 6.951 -4.587 1.00 0.00 O ATOM 0 H SER A 39 -1.674 7.474 -0.562 1.00 0.00 H new ATOM 0 HA SER A 39 -2.424 5.808 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.046 8.257 -2.998 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.240 7.067 -3.024 1.00 0.00 H new ATOM 0 HG SER A 39 -0.555 7.548 -5.148 1.00 0.00 H new ATOM 603 N VAL A 40 -0.674 4.072 -2.321 1.00 0.00 N ATOM 604 CA VAL A 40 0.212 3.020 -1.841 1.00 0.00 C ATOM 605 C VAL A 40 0.743 2.159 -2.992 1.00 0.00 C ATOM 606 O VAL A 40 0.001 1.777 -3.898 1.00 0.00 O ATOM 607 CB VAL A 40 -0.460 2.145 -0.759 1.00 0.00 C ATOM 608 CG1 VAL A 40 -1.849 1.699 -1.184 1.00 0.00 C ATOM 609 CG2 VAL A 40 0.404 0.948 -0.408 1.00 0.00 C ATOM 0 H VAL A 40 -1.234 3.822 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 40 1.064 3.516 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.568 2.761 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.291 1.086 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.475 2.574 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.779 1.116 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.094 0.351 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.562 0.340 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.366 1.292 -0.029 1.00 0.00 H new ATOM 619 N SER A 41 2.049 1.880 -2.949 1.00 0.00 N ATOM 620 CA SER A 41 2.717 1.087 -3.986 1.00 0.00 C ATOM 621 C SER A 41 3.411 -0.153 -3.410 1.00 0.00 C ATOM 622 O SER A 41 4.045 -0.081 -2.349 1.00 0.00 O ATOM 623 CB SER A 41 3.740 1.950 -4.726 1.00 0.00 C ATOM 624 OG SER A 41 3.402 3.324 -4.644 1.00 0.00 O ATOM 0 H SER A 41 2.668 2.194 -2.202 1.00 0.00 H new ATOM 0 HA SER A 41 1.948 0.745 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.731 1.790 -4.301 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.789 1.646 -5.772 1.00 0.00 H new ATOM 0 HG SER A 41 2.832 3.567 -5.403 1.00 0.00 H new ATOM 630 N LEU A 42 3.286 -1.291 -4.118 1.00 0.00 N ATOM 631 CA LEU A 42 3.908 -2.548 -3.682 1.00 0.00 C ATOM 632 C LEU A 42 4.849 -3.131 -4.723 1.00 0.00 C ATOM 633 O LEU A 42 4.765 -2.826 -5.913 1.00 0.00 O ATOM 634 CB LEU A 42 2.876 -3.623 -3.348 1.00 0.00 C ATOM 635 CG LEU A 42 3.449 -4.834 -2.611 1.00 0.00 C ATOM 636 CD1 LEU A 42 4.243 -4.375 -1.397 1.00 0.00 C ATOM 637 CD2 LEU A 42 2.344 -5.791 -2.196 1.00 0.00 C ATOM 0 H LEU A 42 2.762 -1.363 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 42 4.470 -2.277 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.090 -3.179 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.409 -3.962 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 42 4.116 -5.367 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.648 -5.243 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.061 -3.731 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.590 -3.821 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.778 -6.644 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.647 -5.277 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.813 -6.140 -3.082 1.00 0.00 H new ATOM 649 N LYS A 43 5.733 -4.000 -4.244 1.00 0.00 N ATOM 650 CA LYS A 43 6.698 -4.682 -5.085 1.00 0.00 C ATOM 651 C LYS A 43 6.389 -6.176 -5.145 1.00 0.00 C ATOM 652 O LYS A 43 5.363 -6.627 -4.636 1.00 0.00 O ATOM 653 CB LYS A 43 8.098 -4.466 -4.529 1.00 0.00 C ATOM 654 CG LYS A 43 8.551 -3.025 -4.600 1.00 0.00 C ATOM 655 CD LYS A 43 9.792 -2.891 -5.445 1.00 0.00 C ATOM 656 CE LYS A 43 11.016 -2.702 -4.577 1.00 0.00 C ATOM 657 NZ LYS A 43 12.199 -2.237 -5.360 1.00 0.00 N ATOM 0 H LYS A 43 5.797 -4.249 -3.257 1.00 0.00 H new ATOM 0 HA LYS A 43 6.640 -4.274 -6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.125 -4.798 -3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.802 -5.089 -5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.754 -2.409 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.749 -2.652 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.914 -3.780 -6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.686 -2.043 -6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.794 -1.978 -3.793 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.257 -3.643 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.885 -1.788 -4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.645 -3.050 -5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.892 -1.548 -6.076 1.00 0.00 H new ATOM 671 N ALA A 44 7.285 -6.939 -5.762 1.00 0.00 N ATOM 672 CA ALA A 44 7.111 -8.382 -5.882 1.00 0.00 C ATOM 673 C ALA A 44 8.275 -9.002 -6.642 1.00 0.00 C ATOM 674 O ALA A 44 9.240 -8.316 -6.979 1.00 0.00 O ATOM 675 CB ALA A 44 5.794 -8.704 -6.575 1.00 0.00 C ATOM 0 H ALA A 44 8.140 -6.581 -6.187 1.00 0.00 H new ATOM 0 HA ALA A 44 7.089 -8.808 -4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.680 -9.785 -6.656 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.968 -8.295 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.790 -8.263 -7.572 1.00 0.00 H new ATOM 681 N SER A 45 8.181 -10.300 -6.915 1.00 0.00 N ATOM 682 CA SER A 45 9.230 -11.000 -7.643 1.00 0.00 C ATOM 683 C SER A 45 9.356 -10.436 -9.054 1.00 0.00 C ATOM 684 O SER A 45 8.816 -10.993 -10.009 1.00 0.00 O ATOM 685 CB SER A 45 8.925 -12.499 -7.694 1.00 0.00 C ATOM 686 OG SER A 45 7.708 -12.800 -7.033 1.00 0.00 O ATOM 0 H SER A 45 7.391 -10.885 -6.643 1.00 0.00 H new ATOM 0 HA SER A 45 10.177 -10.854 -7.124 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.868 -12.825 -8.732 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.740 -13.054 -7.230 1.00 0.00 H new ATOM 0 HG SER A 45 7.538 -13.764 -7.083 1.00 0.00 H new ATOM 692 N GLY A 46 10.064 -9.316 -9.172 1.00 0.00 N ATOM 693 CA GLY A 46 10.240 -8.677 -10.462 1.00 0.00 C ATOM 694 C GLY A 46 9.032 -7.856 -10.878 1.00 0.00 C ATOM 695 O GLY A 46 9.058 -7.174 -11.902 1.00 0.00 O ATOM 0 H GLY A 46 10.520 -8.839 -8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.118 -8.032 -10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.434 -9.439 -11.217 1.00 0.00 H new ATOM 699 N LYS A 47 7.973 -7.925 -10.080 1.00 0.00 N ATOM 700 CA LYS A 47 6.748 -7.195 -10.353 1.00 0.00 C ATOM 701 C LYS A 47 6.569 -6.049 -9.358 1.00 0.00 C ATOM 702 O LYS A 47 7.220 -6.017 -8.314 1.00 0.00 O ATOM 703 CB LYS A 47 5.559 -8.152 -10.273 1.00 0.00 C ATOM 704 CG LYS A 47 4.974 -8.532 -11.626 1.00 0.00 C ATOM 705 CD LYS A 47 4.680 -7.309 -12.484 1.00 0.00 C ATOM 706 CE LYS A 47 5.477 -7.332 -13.778 1.00 0.00 C ATOM 707 NZ LYS A 47 6.709 -6.501 -13.687 1.00 0.00 N ATOM 0 H LYS A 47 7.942 -8.487 -9.229 1.00 0.00 H new ATOM 0 HA LYS A 47 6.806 -6.769 -11.355 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.871 -9.060 -9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.777 -7.693 -9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.671 -9.185 -12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.056 -9.100 -11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.615 -7.271 -12.712 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.919 -6.405 -11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.749 -8.360 -14.018 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.853 -6.968 -14.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.981 -6.178 -14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.527 -5.676 -13.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.480 -7.067 -13.280 1.00 0.00 H new ATOM 721 N ASN A 48 5.680 -5.115 -9.682 1.00 0.00 N ATOM 722 CA ASN A 48 5.416 -3.976 -8.807 1.00 0.00 C ATOM 723 C ASN A 48 3.977 -3.494 -8.963 1.00 0.00 C ATOM 724 O ASN A 48 3.609 -2.929 -9.992 1.00 0.00 O ATOM 725 CB ASN A 48 6.386 -2.828 -9.100 1.00 0.00 C ATOM 726 CG ASN A 48 6.742 -2.718 -10.570 1.00 0.00 C ATOM 727 OD1 ASN A 48 7.223 -3.674 -11.178 1.00 0.00 O ATOM 728 ND2 ASN A 48 6.509 -1.546 -11.149 1.00 0.00 N ATOM 0 H ASN A 48 5.131 -5.124 -10.542 1.00 0.00 H new ATOM 0 HA ASN A 48 5.565 -4.305 -7.779 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.942 -1.890 -8.768 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.298 -2.972 -8.520 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.730 -1.412 -12.136 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.109 -0.780 -10.607 1.00 0.00 H new ATOM 735 N LYS A 49 3.165 -3.727 -7.935 1.00 0.00 N ATOM 736 CA LYS A 49 1.766 -3.326 -7.959 1.00 0.00 C ATOM 737 C LYS A 49 1.597 -1.890 -7.469 1.00 0.00 C ATOM 738 O LYS A 49 1.596 -1.630 -6.266 1.00 0.00 O ATOM 739 CB LYS A 49 0.945 -4.263 -7.074 1.00 0.00 C ATOM 740 CG LYS A 49 0.617 -5.600 -7.718 1.00 0.00 C ATOM 741 CD LYS A 49 1.855 -6.299 -8.259 1.00 0.00 C ATOM 742 CE LYS A 49 1.994 -6.100 -9.760 1.00 0.00 C ATOM 743 NZ LYS A 49 1.036 -6.949 -10.523 1.00 0.00 N ATOM 0 H LYS A 49 3.455 -4.192 -7.075 1.00 0.00 H new ATOM 0 HA LYS A 49 1.414 -3.384 -8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.492 -4.443 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.014 -3.765 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.130 -6.244 -6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.094 -5.445 -8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.742 -5.913 -7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.800 -7.364 -8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.825 -5.051 -10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.013 -6.338 -10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.208 -6.836 -11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.169 -7.946 -10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.062 -6.659 -10.302 1.00 0.00 H new ATOM 757 N HIS A 50 1.441 -0.962 -8.409 1.00 0.00 N ATOM 758 CA HIS A 50 1.257 0.446 -8.072 1.00 0.00 C ATOM 759 C HIS A 50 -0.215 0.829 -8.177 1.00 0.00 C ATOM 760 O HIS A 50 -0.836 0.656 -9.225 1.00 0.00 O ATOM 761 CB HIS A 50 2.092 1.331 -8.997 1.00 0.00 C ATOM 762 CG HIS A 50 2.823 2.425 -8.284 1.00 0.00 C ATOM 763 ND1 HIS A 50 4.144 2.595 -8.038 1.00 0.00 N flip ATOM 764 CD2 HIS A 50 2.190 3.518 -7.730 1.00 0.00 C flip ATOM 765 CE1 HIS A 50 4.282 3.774 -7.348 1.00 0.00 C flip ATOM 766 NE2 HIS A 50 3.089 4.312 -7.176 1.00 0.00 N flip ATOM 0 H HIS A 50 1.438 -1.160 -9.410 1.00 0.00 H new ATOM 0 HA HIS A 50 1.590 0.599 -7.045 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.814 0.709 -9.527 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.439 1.773 -9.750 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.125 3.697 -7.746 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.215 4.193 -7.002 1.00 0.00 H new ATOM 0 HE2 HIS A 50 2.894 5.191 -6.697 1.00 0.00 H new ATOM 775 N PHE A 51 -0.771 1.345 -7.087 1.00 0.00 N ATOM 776 CA PHE A 51 -2.173 1.741 -7.069 1.00 0.00 C ATOM 777 C PHE A 51 -2.412 2.919 -6.129 1.00 0.00 C ATOM 778 O PHE A 51 -1.643 3.154 -5.195 1.00 0.00 O ATOM 779 CB PHE A 51 -3.048 0.558 -6.656 1.00 0.00 C ATOM 780 CG PHE A 51 -3.298 -0.419 -7.769 1.00 0.00 C ATOM 781 CD1 PHE A 51 -3.671 0.026 -9.028 1.00 0.00 C ATOM 782 CD2 PHE A 51 -3.160 -1.782 -7.558 1.00 0.00 C ATOM 783 CE1 PHE A 51 -3.901 -0.870 -10.055 1.00 0.00 C ATOM 784 CE2 PHE A 51 -3.389 -2.682 -8.581 1.00 0.00 C ATOM 785 CZ PHE A 51 -3.760 -2.225 -9.831 1.00 0.00 C ATOM 0 H PHE A 51 -0.275 1.498 -6.209 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.442 2.057 -8.077 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.572 0.037 -5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.004 0.933 -6.291 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.783 1.085 -9.208 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.870 -2.145 -6.583 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.191 -0.511 -11.031 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.278 -3.742 -8.404 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.939 -2.927 -10.632 1.00 0.00 H new ATOM 795 N LYS A 52 -3.495 3.649 -6.380 1.00 0.00 N ATOM 796 CA LYS A 52 -3.853 4.797 -5.560 1.00 0.00 C ATOM 797 C LYS A 52 -5.129 4.533 -4.782 1.00 0.00 C ATOM 798 O LYS A 52 -6.088 3.963 -5.303 1.00 0.00 O ATOM 799 CB LYS A 52 -4.016 6.060 -6.403 1.00 0.00 C ATOM 800 CG LYS A 52 -5.015 5.925 -7.541 1.00 0.00 C ATOM 801 CD LYS A 52 -4.403 5.231 -8.748 1.00 0.00 C ATOM 802 CE LYS A 52 -4.794 5.922 -10.045 1.00 0.00 C ATOM 803 NZ LYS A 52 -6.109 5.444 -10.556 1.00 0.00 N ATOM 0 H LYS A 52 -4.140 3.463 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.035 4.955 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.329 6.878 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.046 6.335 -6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.883 5.361 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.371 6.913 -7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.317 5.222 -8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.729 4.191 -8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.837 6.999 -9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.026 5.743 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.338 5.940 -11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.061 4.421 -10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.847 5.638 -9.849 1.00 0.00 H new ATOM 817 N VAL A 53 -5.125 4.953 -3.531 1.00 0.00 N ATOM 818 CA VAL A 53 -6.274 4.772 -2.655 1.00 0.00 C ATOM 819 C VAL A 53 -7.156 6.017 -2.659 1.00 0.00 C ATOM 820 O VAL A 53 -6.779 7.062 -2.134 1.00 0.00 O ATOM 821 CB VAL A 53 -5.818 4.467 -1.211 1.00 0.00 C ATOM 822 CG1 VAL A 53 -7.001 4.155 -0.305 1.00 0.00 C ATOM 823 CG2 VAL A 53 -4.826 3.318 -1.209 1.00 0.00 C ATOM 0 H VAL A 53 -4.334 5.426 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.850 3.927 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.330 5.358 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.642 3.945 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.675 5.011 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.534 3.285 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.511 3.111 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.297 2.430 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.957 3.587 -1.809 1.00 0.00 H new ATOM 833 N GLN A 54 -8.333 5.897 -3.265 1.00 0.00 N ATOM 834 CA GLN A 54 -9.271 7.012 -3.350 1.00 0.00 C ATOM 835 C GLN A 54 -10.618 6.633 -2.751 1.00 0.00 C ATOM 836 O GLN A 54 -11.048 5.488 -2.850 1.00 0.00 O ATOM 837 CB GLN A 54 -9.450 7.443 -4.807 1.00 0.00 C ATOM 838 CG GLN A 54 -10.012 8.846 -4.960 1.00 0.00 C ATOM 839 CD GLN A 54 -8.928 9.901 -5.070 1.00 0.00 C ATOM 840 OE1 GLN A 54 -7.805 9.613 -5.484 1.00 0.00 O ATOM 841 NE2 GLN A 54 -9.261 11.131 -4.698 1.00 0.00 N ATOM 0 H GLN A 54 -8.661 5.037 -3.705 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.861 7.846 -2.779 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.487 7.389 -5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.114 6.738 -5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.643 8.885 -5.848 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.649 9.073 -4.105 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.204 11.324 -4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.574 11.883 -4.749 1.00 0.00 H new ATOM 850 N LEU A 55 -11.279 7.596 -2.123 1.00 0.00 N ATOM 851 CA LEU A 55 -12.571 7.346 -1.505 1.00 0.00 C ATOM 852 C LEU A 55 -13.709 7.504 -2.512 1.00 0.00 C ATOM 853 O LEU A 55 -13.949 8.594 -3.031 1.00 0.00 O ATOM 854 CB LEU A 55 -12.773 8.287 -0.319 1.00 0.00 C ATOM 855 CG LEU A 55 -12.819 7.598 1.047 1.00 0.00 C ATOM 856 CD1 LEU A 55 -12.098 8.436 2.091 1.00 0.00 C ATOM 857 CD2 LEU A 55 -14.258 7.336 1.466 1.00 0.00 C ATOM 0 H LEU A 55 -10.942 8.554 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.584 6.316 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.966 9.020 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.703 8.837 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.308 6.639 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.141 7.931 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.057 8.568 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.579 9.411 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.270 6.846 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.796 8.282 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.740 6.693 0.730 1.00 0.00 H new ATOM 869 N VAL A 56 -14.406 6.403 -2.780 1.00 0.00 N ATOM 870 CA VAL A 56 -15.520 6.401 -3.719 1.00 0.00 C ATOM 871 C VAL A 56 -16.854 6.202 -2.995 1.00 0.00 C ATOM 872 O VAL A 56 -16.964 5.366 -2.105 1.00 0.00 O ATOM 873 CB VAL A 56 -15.343 5.297 -4.781 1.00 0.00 C ATOM 874 CG1 VAL A 56 -16.426 4.243 -4.641 1.00 0.00 C ATOM 875 CG2 VAL A 56 -15.342 5.893 -6.181 1.00 0.00 C ATOM 0 H VAL A 56 -14.216 5.495 -2.356 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.529 7.373 -4.212 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.379 4.816 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.284 3.473 -5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -16.369 3.792 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -17.404 4.706 -4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -15.216 5.097 -6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -16.288 6.405 -6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.522 6.605 -6.273 1.00 0.00 H new ATOM 885 N ASP A 57 -17.864 6.961 -3.408 1.00 0.00 N ATOM 886 CA ASP A 57 -19.210 6.882 -2.826 1.00 0.00 C ATOM 887 C ASP A 57 -19.171 6.612 -1.316 1.00 0.00 C ATOM 888 O ASP A 57 -19.718 5.623 -0.835 1.00 0.00 O ATOM 889 CB ASP A 57 -20.046 5.814 -3.554 1.00 0.00 C ATOM 890 CG ASP A 57 -19.788 4.399 -3.062 1.00 0.00 C ATOM 891 OD1 ASP A 57 -18.659 3.902 -3.239 1.00 0.00 O ATOM 892 OD2 ASP A 57 -20.722 3.790 -2.497 1.00 0.00 O ATOM 0 H ASP A 57 -17.778 7.650 -4.155 1.00 0.00 H new ATOM 0 HA ASP A 57 -19.685 7.854 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -21.104 6.046 -3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -19.832 5.863 -4.622 1.00 0.00 H new ATOM 897 N ASN A 58 -18.518 7.502 -0.575 1.00 0.00 N ATOM 898 CA ASN A 58 -18.407 7.363 0.876 1.00 0.00 C ATOM 899 C ASN A 58 -17.697 6.056 1.244 1.00 0.00 C ATOM 900 O ASN A 58 -17.868 5.522 2.339 1.00 0.00 O ATOM 901 CB ASN A 58 -19.799 7.467 1.535 1.00 0.00 C ATOM 902 CG ASN A 58 -20.436 6.126 1.871 1.00 0.00 C ATOM 903 OD1 ASN A 58 -20.242 5.674 3.105 1.00 0.00 O flip ATOM 904 ND2 ASN A 58 -21.105 5.514 1.040 1.00 0.00 N flip ATOM 0 H ASN A 58 -18.057 8.329 -0.955 1.00 0.00 H new ATOM 0 HA ASN A 58 -17.798 8.181 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -19.712 8.054 2.449 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -20.464 8.015 0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -21.229 5.897 0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -21.536 4.623 1.288 1.00 0.00 H new ATOM 911 N VAL A 59 -16.887 5.559 0.316 1.00 0.00 N ATOM 912 CA VAL A 59 -16.133 4.328 0.519 1.00 0.00 C ATOM 913 C VAL A 59 -14.667 4.534 0.171 1.00 0.00 C ATOM 914 O VAL A 59 -14.321 5.476 -0.530 1.00 0.00 O ATOM 915 CB VAL A 59 -16.686 3.168 -0.332 1.00 0.00 C ATOM 916 CG1 VAL A 59 -16.013 1.861 0.050 1.00 0.00 C ATOM 917 CG2 VAL A 59 -18.193 3.058 -0.175 1.00 0.00 C ATOM 0 H VAL A 59 -16.735 5.995 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.234 4.068 1.573 1.00 0.00 H new ATOM 0 HB VAL A 59 -16.466 3.376 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -16.415 1.053 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -14.939 1.942 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -16.201 1.649 1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -18.563 2.233 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.437 2.875 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.661 3.987 -0.500 1.00 0.00 H new ATOM 927 N TYR A 60 -13.810 3.646 0.657 1.00 0.00 N ATOM 928 CA TYR A 60 -12.381 3.737 0.380 1.00 0.00 C ATOM 929 C TYR A 60 -11.982 2.697 -0.660 1.00 0.00 C ATOM 930 O TYR A 60 -12.263 1.515 -0.495 1.00 0.00 O ATOM 931 CB TYR A 60 -11.573 3.531 1.663 1.00 0.00 C ATOM 932 CG TYR A 60 -12.248 4.072 2.905 1.00 0.00 C ATOM 933 CD1 TYR A 60 -12.062 5.391 3.303 1.00 0.00 C ATOM 934 CD2 TYR A 60 -13.070 3.264 3.680 1.00 0.00 C ATOM 935 CE1 TYR A 60 -12.675 5.887 4.438 1.00 0.00 C ATOM 936 CE2 TYR A 60 -13.688 3.753 4.816 1.00 0.00 C ATOM 937 CZ TYR A 60 -13.487 5.065 5.191 1.00 0.00 C ATOM 938 OH TYR A 60 -14.099 5.555 6.321 1.00 0.00 O ATOM 0 H TYR A 60 -14.078 2.856 1.244 1.00 0.00 H new ATOM 0 HA TYR A 60 -12.166 4.731 -0.011 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.387 2.465 1.797 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.601 4.012 1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -11.428 6.039 2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -13.229 2.236 3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -12.519 6.914 4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -14.325 3.111 5.407 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.637 4.848 6.735 1.00 0.00 H new ATOM 948 N CYS A 61 -11.339 3.141 -1.735 1.00 0.00 N ATOM 949 CA CYS A 61 -10.920 2.234 -2.802 1.00 0.00 C ATOM 950 C CYS A 61 -9.404 2.251 -2.990 1.00 0.00 C ATOM 951 O CYS A 61 -8.750 3.253 -2.719 1.00 0.00 O ATOM 952 CB CYS A 61 -11.633 2.597 -4.114 1.00 0.00 C ATOM 953 SG CYS A 61 -10.760 3.794 -5.158 1.00 0.00 S ATOM 0 H CYS A 61 -11.097 4.119 -1.892 1.00 0.00 H new ATOM 0 HA CYS A 61 -11.202 1.221 -2.514 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.790 1.684 -4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.618 2.997 -3.875 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.566 4.892 -4.490 1.00 0.00 H new ATOM 959 N ILE A 62 -8.864 1.135 -3.473 1.00 0.00 N ATOM 960 CA ILE A 62 -7.428 1.006 -3.723 1.00 0.00 C ATOM 961 C ILE A 62 -7.185 0.289 -5.045 1.00 0.00 C ATOM 962 O ILE A 62 -7.599 -0.856 -5.224 1.00 0.00 O ATOM 963 CB ILE A 62 -6.711 0.231 -2.594 1.00 0.00 C ATOM 964 CG1 ILE A 62 -6.956 0.917 -1.247 1.00 0.00 C ATOM 965 CG2 ILE A 62 -5.211 0.110 -2.880 1.00 0.00 C ATOM 966 CD1 ILE A 62 -5.971 0.519 -0.169 1.00 0.00 C ATOM 0 H ILE A 62 -9.403 0.300 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.019 2.016 -3.761 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.123 -0.777 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.910 1.997 -1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.965 0.682 -0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.729 -0.439 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.061 -0.422 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.773 1.105 -2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.210 1.046 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.032 -0.556 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.961 0.780 -0.485 1.00 0.00 H new ATOM 978 N GLY A 63 -6.514 0.968 -5.966 1.00 0.00 N ATOM 979 CA GLY A 63 -6.233 0.377 -7.261 1.00 0.00 C ATOM 980 C GLY A 63 -7.495 0.074 -8.044 1.00 0.00 C ATOM 981 O GLY A 63 -7.867 0.821 -8.949 1.00 0.00 O ATOM 0 H GLY A 63 -6.159 1.916 -5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.605 1.055 -7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.665 -0.543 -7.122 1.00 0.00 H new ATOM 985 N GLN A 64 -8.156 -1.027 -7.695 1.00 0.00 N ATOM 986 CA GLN A 64 -9.385 -1.430 -8.370 1.00 0.00 C ATOM 987 C GLN A 64 -10.284 -2.234 -7.434 1.00 0.00 C ATOM 988 O GLN A 64 -10.996 -3.140 -7.868 1.00 0.00 O ATOM 989 CB GLN A 64 -9.059 -2.256 -9.616 1.00 0.00 C ATOM 990 CG GLN A 64 -8.451 -1.441 -10.746 1.00 0.00 C ATOM 991 CD GLN A 64 -9.429 -0.447 -11.342 1.00 0.00 C ATOM 992 OE1 GLN A 64 -10.643 -0.641 -11.282 1.00 0.00 O ATOM 993 NE2 GLN A 64 -8.903 0.626 -11.922 1.00 0.00 N ATOM 0 H GLN A 64 -7.860 -1.656 -6.948 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.918 -0.527 -8.669 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.368 -3.053 -9.342 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.971 -2.733 -9.974 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.577 -0.906 -10.374 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.102 -2.115 -11.528 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.890 0.746 -11.949 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.512 1.329 -12.340 1.00 0.00 H new ATOM 1002 N ARG A 65 -10.247 -1.898 -6.147 1.00 0.00 N ATOM 1003 CA ARG A 65 -11.059 -2.589 -5.150 1.00 0.00 C ATOM 1004 C ARG A 65 -11.681 -1.595 -4.173 1.00 0.00 C ATOM 1005 O ARG A 65 -11.283 -0.432 -4.123 1.00 0.00 O ATOM 1006 CB ARG A 65 -10.210 -3.609 -4.388 1.00 0.00 C ATOM 1007 CG ARG A 65 -9.841 -4.831 -5.213 1.00 0.00 C ATOM 1008 CD ARG A 65 -10.787 -5.990 -4.946 1.00 0.00 C ATOM 1009 NE ARG A 65 -12.134 -5.725 -5.449 1.00 0.00 N ATOM 1010 CZ ARG A 65 -12.484 -5.843 -6.727 1.00 0.00 C ATOM 1011 NH1 ARG A 65 -11.594 -6.222 -7.635 1.00 0.00 N ATOM 1012 NH2 ARG A 65 -13.730 -5.581 -7.099 1.00 0.00 N ATOM 0 H ARG A 65 -9.663 -1.151 -5.770 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.862 -3.112 -5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.297 -3.124 -4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.754 -3.931 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.866 -4.577 -6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.820 -5.133 -4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.396 -6.893 -5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.832 -6.182 -3.874 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.847 -5.433 -4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.634 -6.425 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.869 -6.310 -8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -14.419 -5.289 -6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.999 -5.671 -8.079 1.00 0.00 H new ATOM 1026 N ARG A 66 -12.661 -2.060 -3.399 1.00 0.00 N ATOM 1027 CA ARG A 66 -13.341 -1.211 -2.432 1.00 0.00 C ATOM 1028 C ARG A 66 -13.112 -1.717 -1.011 1.00 0.00 C ATOM 1029 O ARG A 66 -12.947 -2.916 -0.785 1.00 0.00 O ATOM 1030 CB ARG A 66 -14.834 -1.164 -2.745 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.153 -0.607 -4.127 1.00 0.00 C ATOM 1032 CD ARG A 66 -14.309 0.619 -4.457 1.00 0.00 C ATOM 1033 NE ARG A 66 -14.566 1.112 -5.809 1.00 0.00 N ATOM 1034 CZ ARG A 66 -14.197 0.470 -6.916 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -13.551 -0.687 -6.838 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -14.475 0.987 -8.105 1.00 0.00 N ATOM 0 H ARG A 66 -12.999 -3.022 -3.426 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.930 -0.204 -2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.245 -2.170 -2.665 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.335 -0.554 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.981 -1.378 -4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.210 -0.344 -4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.520 1.409 -3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.253 0.370 -4.356 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.057 2.000 -5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.334 -1.090 -5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.271 -1.173 -7.690 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.971 1.876 -8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.193 0.496 -8.953 1.00 0.00 H new ATOM 1050 N PHE A 67 -13.073 -0.787 -0.060 1.00 0.00 N ATOM 1051 CA PHE A 67 -12.828 -1.122 1.337 1.00 0.00 C ATOM 1052 C PHE A 67 -13.763 -0.364 2.269 1.00 0.00 C ATOM 1053 O PHE A 67 -14.282 0.696 1.921 1.00 0.00 O ATOM 1054 CB PHE A 67 -11.390 -0.775 1.726 1.00 0.00 C ATOM 1055 CG PHE A 67 -10.338 -1.252 0.766 1.00 0.00 C ATOM 1056 CD1 PHE A 67 -10.337 -0.839 -0.557 1.00 0.00 C ATOM 1057 CD2 PHE A 67 -9.336 -2.101 1.198 1.00 0.00 C ATOM 1058 CE1 PHE A 67 -9.360 -1.268 -1.428 1.00 0.00 C ATOM 1059 CE2 PHE A 67 -8.353 -2.530 0.330 1.00 0.00 C ATOM 1060 CZ PHE A 67 -8.368 -2.112 -0.985 1.00 0.00 C ATOM 0 H PHE A 67 -13.209 0.209 -0.235 1.00 0.00 H new ATOM 0 HA PHE A 67 -13.005 -2.193 1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -11.307 0.308 1.823 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -11.183 -1.200 2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -11.111 -0.173 -0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -9.323 -2.432 2.226 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -9.373 -0.942 -2.458 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.574 -3.191 0.679 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.601 -2.448 -1.667 1.00 0.00 H new ATOM 1070 N HIS A 68 -13.925 -0.889 3.478 1.00 0.00 N ATOM 1071 CA HIS A 68 -14.741 -0.239 4.491 1.00 0.00 C ATOM 1072 C HIS A 68 -13.822 0.465 5.487 1.00 0.00 C ATOM 1073 O HIS A 68 -14.215 0.777 6.611 1.00 0.00 O ATOM 1074 CB HIS A 68 -15.619 -1.264 5.212 1.00 0.00 C ATOM 1075 CG HIS A 68 -16.542 -0.657 6.222 1.00 0.00 C ATOM 1076 ND1 HIS A 68 -16.304 -0.695 7.580 1.00 0.00 N ATOM 1077 CD2 HIS A 68 -17.712 0.005 6.066 1.00 0.00 C ATOM 1078 CE1 HIS A 68 -17.288 -0.083 8.215 1.00 0.00 C ATOM 1079 NE2 HIS A 68 -18.154 0.351 7.318 1.00 0.00 N ATOM 0 H HIS A 68 -13.500 -1.766 3.779 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.397 0.491 4.016 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -16.209 -1.808 4.474 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -14.979 -1.993 5.709 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -18.206 0.221 5.130 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -17.370 0.041 9.285 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -19.013 0.861 7.523 1.00 0.00 H new ATOM 1088 N THR A 69 -12.580 0.686 5.052 1.00 0.00 N ATOM 1089 CA THR A 69 -11.560 1.324 5.869 1.00 0.00 C ATOM 1090 C THR A 69 -10.550 2.050 4.977 1.00 0.00 C ATOM 1091 O THR A 69 -10.650 1.995 3.753 1.00 0.00 O ATOM 1092 CB THR A 69 -10.871 0.273 6.736 1.00 0.00 C ATOM 1093 OG1 THR A 69 -9.962 0.876 7.644 1.00 0.00 O ATOM 1094 CG2 THR A 69 -10.115 -0.761 5.933 1.00 0.00 C ATOM 0 H THR A 69 -12.258 0.425 4.120 1.00 0.00 H new ATOM 0 HA THR A 69 -12.024 2.063 6.522 1.00 0.00 H new ATOM 0 HB THR A 69 -11.676 -0.229 7.273 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.535 0.182 8.189 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.649 -1.478 6.609 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.805 -1.283 5.270 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.345 -0.269 5.339 1.00 0.00 H new ATOM 1102 N MET A 70 -9.585 2.735 5.584 1.00 0.00 N ATOM 1103 CA MET A 70 -8.581 3.470 4.829 1.00 0.00 C ATOM 1104 C MET A 70 -7.421 3.857 5.734 1.00 0.00 C ATOM 1105 O MET A 70 -7.599 4.566 6.724 1.00 0.00 O ATOM 1106 CB MET A 70 -9.201 4.719 4.192 1.00 0.00 C ATOM 1107 CG MET A 70 -8.179 5.721 3.674 1.00 0.00 C ATOM 1108 SD MET A 70 -7.746 6.967 4.904 1.00 0.00 S ATOM 1109 CE MET A 70 -9.093 8.130 4.697 1.00 0.00 C ATOM 0 H MET A 70 -9.479 2.795 6.597 1.00 0.00 H new ATOM 0 HA MET A 70 -8.203 2.827 4.034 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.845 4.413 3.367 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.837 5.212 4.927 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.278 5.190 3.367 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.576 6.214 2.787 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.967 8.961 5.391 1.00 0.00 H new ATOM 0 HE2 MET A 70 -9.093 8.508 3.675 1.00 0.00 H new ATOM 0 HE3 MET A 70 -10.040 7.629 4.899 1.00 0.00 H new ATOM 1119 N ASP A 71 -6.238 3.363 5.388 1.00 0.00 N ATOM 1120 CA ASP A 71 -5.018 3.619 6.157 1.00 0.00 C ATOM 1121 C ASP A 71 -4.893 2.628 7.309 1.00 0.00 C ATOM 1122 O ASP A 71 -3.853 2.544 7.962 1.00 0.00 O ATOM 1123 CB ASP A 71 -4.999 5.051 6.688 1.00 0.00 C ATOM 1124 CG ASP A 71 -3.651 5.721 6.505 1.00 0.00 C ATOM 1125 OD1 ASP A 71 -2.680 5.018 6.153 1.00 0.00 O ATOM 1126 OD2 ASP A 71 -3.566 6.950 6.714 1.00 0.00 O ATOM 0 H ASP A 71 -6.094 2.774 4.568 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.166 3.489 5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.764 5.635 6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.258 5.046 7.747 1.00 0.00 H new ATOM 1131 N GLU A 72 -5.953 1.859 7.531 1.00 0.00 N ATOM 1132 CA GLU A 72 -5.962 0.847 8.577 1.00 0.00 C ATOM 1133 C GLU A 72 -5.923 -0.536 7.942 1.00 0.00 C ATOM 1134 O GLU A 72 -5.580 -1.524 8.587 1.00 0.00 O ATOM 1135 CB GLU A 72 -7.205 0.993 9.459 1.00 0.00 C ATOM 1136 CG GLU A 72 -6.893 1.412 10.886 1.00 0.00 C ATOM 1137 CD GLU A 72 -7.134 2.889 11.125 1.00 0.00 C ATOM 1138 OE1 GLU A 72 -8.279 3.344 10.922 1.00 0.00 O ATOM 1139 OE2 GLU A 72 -6.177 3.591 11.515 1.00 0.00 O ATOM 0 H GLU A 72 -6.820 1.919 6.997 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.083 0.980 9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.874 1.728 9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.741 0.044 9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.507 0.831 11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.853 1.176 11.111 1.00 0.00 H new ATOM 1146 N LEU A 73 -6.275 -0.589 6.661 1.00 0.00 N ATOM 1147 CA LEU A 73 -6.276 -1.839 5.915 1.00 0.00 C ATOM 1148 C LEU A 73 -4.876 -2.282 5.537 1.00 0.00 C ATOM 1149 O LEU A 73 -4.692 -3.362 4.992 1.00 0.00 O ATOM 1150 CB LEU A 73 -7.127 -1.711 4.644 1.00 0.00 C ATOM 1151 CG LEU A 73 -6.655 -0.685 3.579 1.00 0.00 C ATOM 1152 CD1 LEU A 73 -5.403 0.075 3.990 1.00 0.00 C ATOM 1153 CD2 LEU A 73 -6.399 -1.372 2.250 1.00 0.00 C ATOM 0 H LEU A 73 -6.564 0.224 6.118 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.706 -2.595 6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.178 -2.691 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.142 -1.448 4.941 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.465 0.038 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.127 0.775 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.597 0.624 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.587 -0.629 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.069 -0.636 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.626 -2.130 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.318 -1.844 1.902 1.00 0.00 H new ATOM 1165 N VAL A 74 -3.887 -1.457 5.814 1.00 0.00 N ATOM 1166 CA VAL A 74 -2.526 -1.815 5.479 1.00 0.00 C ATOM 1167 C VAL A 74 -1.917 -2.685 6.564 1.00 0.00 C ATOM 1168 O VAL A 74 -0.850 -3.270 6.381 1.00 0.00 O ATOM 1169 CB VAL A 74 -1.636 -0.581 5.270 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -0.603 -0.867 4.197 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -2.453 0.649 4.895 1.00 0.00 C ATOM 0 H VAL A 74 -3.997 -0.548 6.263 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.572 -2.368 4.541 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.134 -0.368 6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.025 0.012 4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.017 -1.710 4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.107 -1.109 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.786 1.500 4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.995 0.457 3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.163 0.871 5.692 1.00 0.00 H new ATOM 1181 N GLU A 75 -2.609 -2.779 7.688 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.134 -3.599 8.795 1.00 0.00 C ATOM 1183 C GLU A 75 -2.864 -4.937 8.820 1.00 0.00 C ATOM 1184 O GLU A 75 -2.402 -5.895 9.440 1.00 0.00 O ATOM 1185 CB GLU A 75 -2.306 -2.874 10.133 1.00 0.00 C ATOM 1186 CG GLU A 75 -3.633 -2.151 10.276 1.00 0.00 C ATOM 1187 CD GLU A 75 -3.888 -1.679 11.695 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -4.160 -2.534 12.564 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -3.816 -0.456 11.936 1.00 0.00 O ATOM 0 H GLU A 75 -3.495 -2.303 7.859 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.070 -3.783 8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.209 -3.598 10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.497 -2.154 10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.650 -1.294 9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.440 -2.815 9.967 1.00 0.00 H new ATOM 1196 N HIS A 76 -4.006 -5.000 8.137 1.00 0.00 N ATOM 1197 CA HIS A 76 -4.790 -6.224 8.081 1.00 0.00 C ATOM 1198 C HIS A 76 -5.221 -6.557 6.651 1.00 0.00 C ATOM 1199 O HIS A 76 -5.813 -7.610 6.414 1.00 0.00 O ATOM 1200 CB HIS A 76 -6.021 -6.105 8.980 1.00 0.00 C ATOM 1201 CG HIS A 76 -6.442 -7.406 9.588 1.00 0.00 C ATOM 1202 ND1 HIS A 76 -7.708 -7.629 10.089 1.00 0.00 N ATOM 1203 CD2 HIS A 76 -5.758 -8.559 9.773 1.00 0.00 C ATOM 1204 CE1 HIS A 76 -7.783 -8.862 10.556 1.00 0.00 C ATOM 1205 NE2 HIS A 76 -6.613 -9.448 10.376 1.00 0.00 N ATOM 0 H HIS A 76 -4.405 -4.218 7.617 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.156 -7.036 8.437 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.812 -5.391 9.777 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.849 -5.700 8.398 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.730 -8.745 9.497 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.653 -9.314 11.008 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.382 -10.405 10.642 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.922 -5.666 5.696 1.00 0.00 N ATOM 1215 CA TYR A 77 -5.281 -5.881 4.299 1.00 0.00 C ATOM 1216 C TYR A 77 -6.657 -6.527 4.162 1.00 0.00 C ATOM 1217 O TYR A 77 -6.781 -7.672 3.728 1.00 0.00 O ATOM 1218 CB TYR A 77 -4.217 -6.729 3.613 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.907 -8.026 4.327 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -2.993 -8.067 5.373 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -4.530 -9.210 3.953 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -2.708 -9.253 6.024 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -4.251 -10.399 4.600 1.00 0.00 C ATOM 1224 CZ TYR A 77 -3.339 -10.415 5.635 1.00 0.00 C ATOM 1225 OH TYR A 77 -3.058 -11.597 6.282 1.00 0.00 O ATOM 0 H TYR A 77 -4.431 -4.789 5.872 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.331 -4.908 3.810 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.546 -6.955 2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.301 -6.145 3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.498 -7.158 5.682 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.244 -9.201 3.143 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.994 -9.269 6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.744 -11.311 4.297 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.588 -12.320 5.886 1.00 0.00 H new ATOM 1235 N LYS A 78 -7.689 -5.775 4.534 1.00 0.00 N ATOM 1236 CA LYS A 78 -9.064 -6.261 4.453 1.00 0.00 C ATOM 1237 C LYS A 78 -9.363 -6.778 3.046 1.00 0.00 C ATOM 1238 O LYS A 78 -9.302 -7.981 2.794 1.00 0.00 O ATOM 1239 CB LYS A 78 -10.040 -5.145 4.839 1.00 0.00 C ATOM 1240 CG LYS A 78 -9.661 -4.422 6.124 1.00 0.00 C ATOM 1241 CD LYS A 78 -10.036 -5.238 7.351 1.00 0.00 C ATOM 1242 CE LYS A 78 -10.452 -4.345 8.510 1.00 0.00 C ATOM 1243 NZ LYS A 78 -9.342 -4.144 9.484 1.00 0.00 N ATOM 0 H LYS A 78 -7.599 -4.825 4.895 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.188 -7.087 5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.091 -4.421 4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.038 -5.569 4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.589 -4.225 6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.163 -3.455 6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.852 -5.916 7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.189 -5.855 7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.776 -3.378 8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.307 -4.788 9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.666 -3.530 10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.049 -5.064 9.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.535 -3.698 9.003 1.00 0.00 H new ATOM 1257 N LYS A 79 -9.648 -5.862 2.126 1.00 0.00 N ATOM 1258 CA LYS A 79 -9.911 -6.226 0.740 1.00 0.00 C ATOM 1259 C LYS A 79 -8.987 -5.420 -0.160 1.00 0.00 C ATOM 1260 O LYS A 79 -9.430 -4.586 -0.948 1.00 0.00 O ATOM 1261 CB LYS A 79 -11.374 -5.956 0.378 1.00 0.00 C ATOM 1262 CG LYS A 79 -12.356 -6.873 1.089 1.00 0.00 C ATOM 1263 CD LYS A 79 -13.061 -6.157 2.229 1.00 0.00 C ATOM 1264 CE LYS A 79 -13.665 -7.140 3.219 1.00 0.00 C ATOM 1265 NZ LYS A 79 -14.379 -8.252 2.533 1.00 0.00 N ATOM 0 H LYS A 79 -9.703 -4.861 2.316 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.724 -7.291 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.615 -4.921 0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.500 -6.068 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.095 -7.240 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.827 -7.744 1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.353 -5.509 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.846 -5.516 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.877 -7.550 3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.358 -6.614 3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.943 -8.782 3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.007 -7.862 1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.686 -8.889 2.091 1.00 0.00 H new ATOM 1279 N ALA A 80 -7.692 -5.674 -0.009 1.00 0.00 N ATOM 1280 CA ALA A 80 -6.664 -4.973 -0.765 1.00 0.00 C ATOM 1281 C ALA A 80 -6.150 -5.795 -1.935 1.00 0.00 C ATOM 1282 O ALA A 80 -6.187 -7.025 -1.906 1.00 0.00 O ATOM 1283 CB ALA A 80 -5.515 -4.583 0.154 1.00 0.00 C ATOM 0 H ALA A 80 -7.327 -6.371 0.640 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.119 -4.073 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.751 -4.059 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.886 -3.930 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.084 -5.480 0.598 1.00 0.00 H new ATOM 1289 N PRO A 81 -5.649 -5.115 -2.984 1.00 0.00 N ATOM 1290 CA PRO A 81 -5.104 -5.776 -4.175 1.00 0.00 C ATOM 1291 C PRO A 81 -3.993 -6.771 -3.843 1.00 0.00 C ATOM 1292 O PRO A 81 -3.362 -7.325 -4.743 1.00 0.00 O ATOM 1293 CB PRO A 81 -4.545 -4.621 -5.020 1.00 0.00 C ATOM 1294 CG PRO A 81 -4.461 -3.457 -4.091 1.00 0.00 C ATOM 1295 CD PRO A 81 -5.559 -3.651 -3.087 1.00 0.00 C ATOM 0 HA PRO A 81 -5.869 -6.362 -4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.565 -4.870 -5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.196 -4.402 -5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.488 -3.417 -3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.586 -2.518 -4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.317 -3.192 -2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.498 -3.210 -3.423 1.00 0.00 H new ATOM 1303 N ILE A 82 -3.767 -7.012 -2.553 1.00 0.00 N ATOM 1304 CA ILE A 82 -2.760 -7.947 -2.124 1.00 0.00 C ATOM 1305 C ILE A 82 -3.097 -9.325 -2.682 1.00 0.00 C ATOM 1306 O ILE A 82 -4.267 -9.680 -2.821 1.00 0.00 O ATOM 1307 CB ILE A 82 -2.676 -8.028 -0.583 1.00 0.00 C ATOM 1308 CG1 ILE A 82 -1.909 -6.836 -0.011 1.00 0.00 C ATOM 1309 CG2 ILE A 82 -2.006 -9.319 -0.150 1.00 0.00 C ATOM 1310 CD1 ILE A 82 -2.578 -6.229 1.188 1.00 0.00 C ATOM 0 H ILE A 82 -4.277 -6.564 -1.792 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.794 -7.605 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.695 -8.007 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.904 -7.156 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.801 -6.075 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.957 -9.356 0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.582 -10.169 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.997 -9.361 -0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.986 -5.388 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.573 -5.880 0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.662 -6.978 1.976 1.00 0.00 H new ATOM 1322 N PHE A 83 -2.074 -10.085 -3.004 1.00 0.00 N ATOM 1323 CA PHE A 83 -2.264 -11.426 -3.558 1.00 0.00 C ATOM 1324 C PHE A 83 -1.280 -12.421 -2.954 1.00 0.00 C ATOM 1325 O PHE A 83 -0.226 -12.037 -2.465 1.00 0.00 O ATOM 1326 CB PHE A 83 -2.119 -11.397 -5.081 1.00 0.00 C ATOM 1327 CG PHE A 83 -3.419 -11.583 -5.808 1.00 0.00 C ATOM 1328 CD1 PHE A 83 -4.175 -12.728 -5.620 1.00 0.00 C ATOM 1329 CD2 PHE A 83 -3.887 -10.611 -6.678 1.00 0.00 C ATOM 1330 CE1 PHE A 83 -5.374 -12.902 -6.285 1.00 0.00 C ATOM 1331 CE2 PHE A 83 -5.085 -10.778 -7.347 1.00 0.00 C ATOM 1332 CZ PHE A 83 -5.829 -11.925 -7.150 1.00 0.00 C ATOM 0 H PHE A 83 -1.099 -9.806 -2.895 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.272 -11.753 -3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.678 -10.446 -5.378 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.425 -12.180 -5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.823 -13.494 -4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -3.309 -9.712 -6.835 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.954 -13.800 -6.129 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.439 -10.013 -8.022 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.765 -12.058 -7.671 1.00 0.00 H new ATOM 1342 N THR A 84 -1.635 -13.702 -2.982 1.00 0.00 N ATOM 1343 CA THR A 84 -0.770 -14.741 -2.431 1.00 0.00 C ATOM 1344 C THR A 84 -0.514 -15.845 -3.448 1.00 0.00 C ATOM 1345 O THR A 84 -1.422 -16.596 -3.803 1.00 0.00 O ATOM 1346 CB THR A 84 -1.390 -15.349 -1.173 1.00 0.00 C ATOM 1347 OG1 THR A 84 -1.663 -14.347 -0.205 1.00 0.00 O ATOM 1348 CG2 THR A 84 -0.506 -16.399 -0.533 1.00 0.00 C ATOM 0 H THR A 84 -2.510 -14.045 -3.378 1.00 0.00 H new ATOM 0 HA THR A 84 0.180 -14.271 -2.177 1.00 0.00 H new ATOM 0 HB THR A 84 -2.315 -15.825 -1.500 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.061 -14.760 0.590 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.997 -16.796 0.356 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.330 -17.208 -1.242 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.447 -15.950 -0.251 1.00 0.00 H new ATOM 1356 N SER A 85 0.730 -15.951 -3.907 1.00 0.00 N ATOM 1357 CA SER A 85 1.092 -16.978 -4.873 1.00 0.00 C ATOM 1358 C SER A 85 2.180 -17.891 -4.313 1.00 0.00 C ATOM 1359 O SER A 85 2.837 -17.558 -3.326 1.00 0.00 O ATOM 1360 CB SER A 85 1.560 -16.339 -6.179 1.00 0.00 C ATOM 1361 OG SER A 85 0.785 -16.791 -7.276 1.00 0.00 O ATOM 0 H SER A 85 1.498 -15.342 -3.626 1.00 0.00 H new ATOM 0 HA SER A 85 0.207 -17.582 -5.074 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.489 -15.254 -6.102 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.610 -16.578 -6.349 1.00 0.00 H new ATOM 0 HG SER A 85 1.104 -16.366 -8.099 1.00 0.00 H new ATOM 1367 N GLU A 86 2.366 -19.042 -4.952 1.00 0.00 N ATOM 1368 CA GLU A 86 3.378 -20.007 -4.526 1.00 0.00 C ATOM 1369 C GLU A 86 3.341 -20.223 -3.009 1.00 0.00 C ATOM 1370 O GLU A 86 2.301 -20.043 -2.375 1.00 0.00 O ATOM 1371 CB GLU A 86 4.767 -19.534 -4.968 1.00 0.00 C ATOM 1372 CG GLU A 86 5.632 -20.641 -5.551 1.00 0.00 C ATOM 1373 CD GLU A 86 4.960 -21.363 -6.702 1.00 0.00 C ATOM 1374 OE1 GLU A 86 4.201 -22.321 -6.441 1.00 0.00 O ATOM 1375 OE2 GLU A 86 5.191 -20.971 -7.865 1.00 0.00 O ATOM 0 H GLU A 86 1.828 -19.331 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 86 3.158 -20.964 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.653 -18.744 -5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.281 -19.095 -4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.575 -20.217 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.872 -21.360 -4.767 1.00 0.00 H new ATOM 1382 N HIS A 87 4.476 -20.621 -2.436 1.00 0.00 N ATOM 1383 CA HIS A 87 4.568 -20.872 -1.002 1.00 0.00 C ATOM 1384 C HIS A 87 4.268 -19.616 -0.184 1.00 0.00 C ATOM 1385 O HIS A 87 3.351 -19.612 0.639 1.00 0.00 O ATOM 1386 CB HIS A 87 5.957 -21.408 -0.648 1.00 0.00 C ATOM 1387 CG HIS A 87 5.971 -22.871 -0.325 1.00 0.00 C ATOM 1388 ND1 HIS A 87 5.428 -23.392 0.831 1.00 0.00 N ATOM 1389 CD2 HIS A 87 6.467 -23.926 -1.014 1.00 0.00 C ATOM 1390 CE1 HIS A 87 5.591 -24.703 0.840 1.00 0.00 C ATOM 1391 NE2 HIS A 87 6.217 -25.052 -0.268 1.00 0.00 N ATOM 0 H HIS A 87 5.346 -20.776 -2.946 1.00 0.00 H new ATOM 0 HA HIS A 87 3.815 -21.619 -0.750 1.00 0.00 H new ATOM 0 HB2 HIS A 87 6.633 -21.222 -1.483 1.00 0.00 H new ATOM 0 HB3 HIS A 87 6.345 -20.852 0.206 1.00 0.00 H new ATOM 0 HD2 HIS A 87 6.966 -23.889 -1.971 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.267 -25.375 1.621 1.00 0.00 H new ATOM 0 HE2 HIS A 87 6.474 -26.004 -0.528 1.00 0.00 H new ATOM 1400 N GLY A 88 5.047 -18.556 -0.397 1.00 0.00 N ATOM 1401 CA GLY A 88 4.833 -17.330 0.354 1.00 0.00 C ATOM 1402 C GLY A 88 5.172 -16.069 -0.422 1.00 0.00 C ATOM 1403 O GLY A 88 5.650 -15.093 0.155 1.00 0.00 O ATOM 0 H GLY A 88 5.814 -18.524 -1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.790 -17.284 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.436 -17.361 1.261 1.00 0.00 H new ATOM 1407 N GLU A 89 4.910 -16.074 -1.725 1.00 0.00 N ATOM 1408 CA GLU A 89 5.178 -14.904 -2.557 1.00 0.00 C ATOM 1409 C GLU A 89 3.904 -14.069 -2.701 1.00 0.00 C ATOM 1410 O GLU A 89 3.321 -13.948 -3.780 1.00 0.00 O ATOM 1411 CB GLU A 89 5.696 -15.332 -3.927 1.00 0.00 C ATOM 1412 CG GLU A 89 4.630 -15.983 -4.777 1.00 0.00 C ATOM 1413 CD GLU A 89 4.544 -15.380 -6.166 1.00 0.00 C ATOM 1414 OE1 GLU A 89 4.000 -14.263 -6.296 1.00 0.00 O ATOM 1415 OE2 GLU A 89 5.018 -16.026 -7.124 1.00 0.00 O ATOM 0 H GLU A 89 4.515 -16.870 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 89 5.946 -14.296 -2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.090 -14.461 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.525 -16.027 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.838 -17.050 -4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.664 -15.884 -4.281 1.00 0.00 H new ATOM 1422 N LYS A 90 3.461 -13.529 -1.588 1.00 0.00 N ATOM 1423 CA LYS A 90 2.241 -12.733 -1.549 1.00 0.00 C ATOM 1424 C LYS A 90 2.524 -11.232 -1.503 1.00 0.00 C ATOM 1425 O LYS A 90 3.407 -10.772 -0.778 1.00 0.00 O ATOM 1426 CB LYS A 90 1.388 -13.114 -0.330 1.00 0.00 C ATOM 1427 CG LYS A 90 1.783 -14.429 0.328 1.00 0.00 C ATOM 1428 CD LYS A 90 2.780 -14.212 1.455 1.00 0.00 C ATOM 1429 CE LYS A 90 2.599 -15.236 2.563 1.00 0.00 C ATOM 1430 NZ LYS A 90 1.178 -15.343 2.999 1.00 0.00 N ATOM 0 H LYS A 90 3.928 -13.624 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 90 1.701 -12.950 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.457 -12.317 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.344 -13.175 -0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.893 -14.923 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.216 -15.095 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.795 -14.275 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.658 -13.208 1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.946 -16.210 2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.220 -14.961 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.141 -15.677 3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.723 -14.410 2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.677 -16.017 2.386 1.00 0.00 H new ATOM 1444 N LEU A 91 1.724 -10.475 -2.252 1.00 0.00 N ATOM 1445 CA LEU A 91 1.825 -9.021 -2.278 1.00 0.00 C ATOM 1446 C LEU A 91 1.121 -8.477 -1.058 1.00 0.00 C ATOM 1447 O LEU A 91 -0.068 -8.224 -1.116 1.00 0.00 O ATOM 1448 CB LEU A 91 1.133 -8.456 -3.519 1.00 0.00 C ATOM 1449 CG LEU A 91 1.169 -9.351 -4.738 1.00 0.00 C ATOM 1450 CD1 LEU A 91 0.100 -8.926 -5.725 1.00 0.00 C ATOM 1451 CD2 LEU A 91 2.548 -9.298 -5.350 1.00 0.00 C ATOM 0 H LEU A 91 0.992 -10.852 -2.854 1.00 0.00 H new ATOM 0 HA LEU A 91 2.877 -8.736 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.092 -8.247 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.598 -7.503 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 91 0.959 -10.382 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.133 -9.576 -6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.880 -9.001 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.277 -7.895 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.581 -9.941 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.778 -8.273 -5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.283 -9.641 -4.622 1.00 0.00 H new ATOM 1463 N TYR A 92 1.836 -8.329 0.042 1.00 0.00 N ATOM 1464 CA TYR A 92 1.227 -7.855 1.278 1.00 0.00 C ATOM 1465 C TYR A 92 1.458 -6.373 1.516 1.00 0.00 C ATOM 1466 O TYR A 92 2.527 -5.840 1.217 1.00 0.00 O ATOM 1467 CB TYR A 92 1.788 -8.639 2.456 1.00 0.00 C ATOM 1468 CG TYR A 92 0.986 -9.867 2.827 1.00 0.00 C ATOM 1469 CD1 TYR A 92 -0.402 -9.833 2.865 1.00 0.00 C ATOM 1470 CD2 TYR A 92 1.622 -11.060 3.148 1.00 0.00 C ATOM 1471 CE1 TYR A 92 -1.134 -10.955 3.211 1.00 0.00 C ATOM 1472 CE2 TYR A 92 0.898 -12.185 3.493 1.00 0.00 C ATOM 1473 CZ TYR A 92 -0.479 -12.127 3.524 1.00 0.00 C ATOM 1474 OH TYR A 92 -1.203 -13.246 3.868 1.00 0.00 O ATOM 0 H TYR A 92 2.834 -8.528 0.108 1.00 0.00 H new ATOM 0 HA TYR A 92 0.152 -8.010 1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.808 -8.943 2.222 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.843 -7.980 3.323 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.918 -8.916 2.621 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.701 -11.109 3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.213 -10.913 3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.408 -13.105 3.737 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.070 -13.227 3.412 1.00 0.00 H new ATOM 1484 N LEU A 93 0.456 -5.722 2.097 1.00 0.00 N ATOM 1485 CA LEU A 93 0.552 -4.312 2.427 1.00 0.00 C ATOM 1486 C LEU A 93 1.387 -4.155 3.693 1.00 0.00 C ATOM 1487 O LEU A 93 0.906 -3.695 4.728 1.00 0.00 O ATOM 1488 CB LEU A 93 -0.850 -3.702 2.586 1.00 0.00 C ATOM 1489 CG LEU A 93 -1.390 -3.017 1.321 1.00 0.00 C ATOM 1490 CD1 LEU A 93 -2.839 -2.593 1.481 1.00 0.00 C ATOM 1491 CD2 LEU A 93 -0.551 -1.814 0.962 1.00 0.00 C ATOM 0 H LEU A 93 -0.433 -6.154 2.348 1.00 0.00 H new ATOM 0 HA LEU A 93 1.045 -3.772 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.544 -4.488 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.827 -2.974 3.397 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.335 -3.751 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.181 -2.113 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.454 -3.470 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.923 -1.891 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.952 -1.346 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.571 -1.098 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.477 -2.128 0.779 1.00 0.00 H new ATOM 1503 N VAL A 94 2.652 -4.564 3.584 1.00 0.00 N ATOM 1504 CA VAL A 94 3.602 -4.506 4.683 1.00 0.00 C ATOM 1505 C VAL A 94 3.799 -3.059 5.157 1.00 0.00 C ATOM 1506 O VAL A 94 2.842 -2.410 5.579 1.00 0.00 O ATOM 1507 CB VAL A 94 4.950 -5.121 4.238 1.00 0.00 C ATOM 1508 CG1 VAL A 94 4.828 -6.621 4.010 1.00 0.00 C ATOM 1509 CG2 VAL A 94 5.425 -4.441 2.974 1.00 0.00 C ATOM 0 H VAL A 94 3.043 -4.946 2.723 1.00 0.00 H new ATOM 0 HA VAL A 94 3.207 -5.082 5.520 1.00 0.00 H new ATOM 0 HB VAL A 94 5.677 -4.963 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.793 -7.021 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.516 -7.105 4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.088 -6.812 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.375 -4.875 2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.685 -4.581 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.558 -3.376 3.162 1.00 0.00 H new ATOM 1519 N ARG A 95 5.029 -2.548 5.082 1.00 0.00 N ATOM 1520 CA ARG A 95 5.313 -1.182 5.499 1.00 0.00 C ATOM 1521 C ARG A 95 6.591 -0.656 4.877 1.00 0.00 C ATOM 1522 O ARG A 95 7.312 -1.363 4.173 1.00 0.00 O ATOM 1523 CB ARG A 95 5.425 -1.042 7.015 1.00 0.00 C ATOM 1524 CG ARG A 95 4.152 -0.531 7.672 1.00 0.00 C ATOM 1525 CD ARG A 95 3.744 -1.387 8.863 1.00 0.00 C ATOM 1526 NE ARG A 95 3.861 -2.817 8.584 1.00 0.00 N ATOM 1527 CZ ARG A 95 3.975 -3.749 9.528 1.00 0.00 C ATOM 1528 NH1 ARG A 95 3.983 -3.409 10.811 1.00 0.00 N ATOM 1529 NH2 ARG A 95 4.080 -5.026 9.188 1.00 0.00 N ATOM 0 H ARG A 95 5.840 -3.061 4.737 1.00 0.00 H new ATOM 0 HA ARG A 95 4.464 -0.594 5.150 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.682 -2.011 7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.244 -0.362 7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.300 0.498 7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.345 -0.520 6.940 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.368 -1.134 9.720 1.00 0.00 H new ATOM 0 HD3 ARG A 95 2.715 -1.156 9.138 1.00 0.00 H new ATOM 0 HE ARG A 95 3.855 -3.118 7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.901 -2.428 11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.071 -4.128 11.529 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.073 -5.294 8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.167 -5.741 9.911 1.00 0.00 H new ATOM 1543 N ALA A 96 6.843 0.607 5.159 1.00 0.00 N ATOM 1544 CA ALA A 96 8.007 1.307 4.663 1.00 0.00 C ATOM 1545 C ALA A 96 9.268 0.899 5.421 1.00 0.00 C ATOM 1546 O ALA A 96 9.294 0.904 6.652 1.00 0.00 O ATOM 1547 CB ALA A 96 7.764 2.791 4.819 1.00 0.00 C ATOM 0 H ALA A 96 6.237 1.181 5.746 1.00 0.00 H new ATOM 0 HA ALA A 96 8.162 1.051 3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.630 3.342 4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.882 3.077 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.605 3.025 5.872 1.00 0.00 H new ATOM 1553 N LEU A 97 10.312 0.548 4.675 1.00 0.00 N ATOM 1554 CA LEU A 97 11.579 0.139 5.271 1.00 0.00 C ATOM 1555 C LEU A 97 11.416 -1.153 6.065 1.00 0.00 C ATOM 1556 O LEU A 97 10.555 -1.251 6.939 1.00 0.00 O ATOM 1557 CB LEU A 97 12.126 1.245 6.178 1.00 0.00 C ATOM 1558 CG LEU A 97 12.280 2.614 5.513 1.00 0.00 C ATOM 1559 CD1 LEU A 97 12.918 3.605 6.474 1.00 0.00 C ATOM 1560 CD2 LEU A 97 13.103 2.499 4.239 1.00 0.00 C ATOM 0 H LEU A 97 10.305 0.539 3.655 1.00 0.00 H new ATOM 0 HA LEU A 97 12.288 -0.039 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.464 1.349 7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 97 13.098 0.933 6.560 1.00 0.00 H new ATOM 0 HG LEU A 97 11.288 2.982 5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 97 13.020 4.573 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 97 12.290 3.710 7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 97 13.903 3.243 6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 97 13.202 3.483 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 97 14.092 2.109 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.605 1.823 3.544 1.00 0.00 H new ATOM 1572 N GLN A 98 12.247 -2.141 5.752 1.00 0.00 N ATOM 1573 CA GLN A 98 12.195 -3.428 6.434 1.00 0.00 C ATOM 1574 C GLN A 98 13.431 -4.264 6.115 1.00 0.00 C ATOM 1575 O GLN A 98 13.441 -4.923 5.054 1.00 0.00 O ATOM 1576 CB GLN A 98 10.931 -4.189 6.030 1.00 0.00 C ATOM 1577 CG GLN A 98 10.415 -5.128 7.107 1.00 0.00 C ATOM 1578 CD GLN A 98 9.948 -6.457 6.547 1.00 0.00 C ATOM 1579 OE1 GLN A 98 10.727 -7.402 6.428 1.00 0.00 O ATOM 1580 NE2 GLN A 98 8.669 -6.535 6.199 1.00 0.00 N ATOM 1581 OXT GLN A 98 14.378 -4.252 6.929 1.00 0.00 O ATOM 0 H GLN A 98 12.965 -2.075 5.030 1.00 0.00 H new ATOM 0 HA GLN A 98 12.173 -3.243 7.508 1.00 0.00 H new ATOM 0 HB2 GLN A 98 10.149 -3.471 5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.136 -4.764 5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.203 -5.303 7.839 1.00 0.00 H new ATOM 0 HG3 GLN A 98 9.590 -4.650 7.635 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.059 -5.726 6.315 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.297 -7.404 5.816 1.00 0.00 H new