USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 506 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: C 20 THR OG1 : rot 180:sc= -0.0152 USER MOD Set 1.2: C 22 THR OG1 : rot 180:sc= 0.0111 USER MOD Set 2.1: C 18 SER OG : rot -101:sc= -2.06! USER MOD Set 2.2: C 25 SER OG : rot 180:sc= 0.0066 USER MOD Single : C 9 THR OG1 : rot 36:sc= 0.121 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 113:sc= 0.314 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= -6.99! C(o=-7!,f=-8.8!) USER MOD Single : C 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 37 ASN :FLIP amide:sc= -1.14! C(o=-1.8!,f=-1.1!) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 46 HIS :FLIP no HD1:sc= -9.66! C(o=-11!,f=-9.7!) USER MOD Single : C 47 SER OG : rot 180:sc= 0.0245 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0.00239 USER MOD Single : C 50 THR OG1 : rot -21:sc= 0.217 USER MOD Single : C 52 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot -87:sc= 1.22 USER MOD Single : C 59 ASN : amide:sc= -0.32 K(o=-0.32,f=-3.2!) USER MOD Single : C 60 TYR OH : rot 32:sc= 0.676 USER MOD Single : C 64 SER OG : rot 61:sc= 0.0484! USER MOD Single : R 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 6.222 3.789 -24.467 1.00 0.00 N ATOM 2 CA THR C 9 4.756 4.042 -24.520 1.00 0.00 C ATOM 3 C THR C 9 4.038 3.093 -23.559 1.00 0.00 C ATOM 4 O THR C 9 3.200 2.309 -23.956 1.00 0.00 O ATOM 5 CB THR C 9 4.249 3.808 -25.945 1.00 0.00 C ATOM 6 OG1 THR C 9 4.945 4.664 -26.839 1.00 0.00 O ATOM 7 CG2 THR C 9 2.750 4.108 -26.011 1.00 0.00 C ATOM 0 HA THR C 9 4.555 5.073 -24.228 1.00 0.00 H new ATOM 0 HB THR C 9 4.422 2.769 -26.227 1.00 0.00 H new ATOM 0 HG1 THR C 9 5.874 4.760 -26.543 1.00 0.00 H new ATOM 0 HG21 THR C 9 2.390 3.941 -27.026 1.00 0.00 H new ATOM 0 HG22 THR C 9 2.217 3.451 -25.324 1.00 0.00 H new ATOM 0 HG23 THR C 9 2.574 5.146 -25.730 1.00 0.00 H new ATOM 14 N PHE C 10 4.362 3.157 -22.295 1.00 0.00 N ATOM 15 CA PHE C 10 3.699 2.258 -21.310 1.00 0.00 C ATOM 16 C PHE C 10 2.460 2.952 -20.742 1.00 0.00 C ATOM 17 O PHE C 10 2.090 4.029 -21.166 1.00 0.00 O ATOM 18 CB PHE C 10 4.672 1.940 -20.173 1.00 0.00 C ATOM 19 CG PHE C 10 5.629 0.830 -20.616 1.00 0.00 C ATOM 20 CD1 PHE C 10 5.938 0.662 -21.953 1.00 0.00 C ATOM 21 CD2 PHE C 10 6.197 -0.021 -19.682 1.00 0.00 C ATOM 22 CE1 PHE C 10 6.798 -0.341 -22.351 1.00 0.00 C ATOM 23 CE2 PHE C 10 7.058 -1.023 -20.082 1.00 0.00 C ATOM 24 CZ PHE C 10 7.358 -1.182 -21.416 1.00 0.00 C ATOM 0 H PHE C 10 5.057 3.793 -21.904 1.00 0.00 H new ATOM 0 HA PHE C 10 3.404 1.332 -21.804 1.00 0.00 H new ATOM 0 HB2 PHE C 10 5.235 2.833 -19.901 1.00 0.00 H new ATOM 0 HB3 PHE C 10 4.122 1.628 -19.286 1.00 0.00 H new ATOM 0 HD1 PHE C 10 5.503 1.320 -22.691 1.00 0.00 H new ATOM 0 HD2 PHE C 10 5.965 0.100 -18.634 1.00 0.00 H new ATOM 0 HE1 PHE C 10 7.032 -0.466 -23.398 1.00 0.00 H new ATOM 0 HE2 PHE C 10 7.497 -1.683 -19.348 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.032 -1.966 -21.729 1.00 0.00 H new ATOM 34 N VAL C 11 1.812 2.345 -19.785 1.00 0.00 N ATOM 35 CA VAL C 11 0.598 2.974 -19.194 1.00 0.00 C ATOM 36 C VAL C 11 0.598 2.757 -17.679 1.00 0.00 C ATOM 37 O VAL C 11 1.302 1.913 -17.162 1.00 0.00 O ATOM 38 CB VAL C 11 -0.654 2.336 -19.800 1.00 0.00 C ATOM 39 CG1 VAL C 11 -1.852 3.263 -19.585 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.440 2.116 -21.298 1.00 0.00 C ATOM 0 H VAL C 11 2.071 1.442 -19.388 1.00 0.00 H new ATOM 0 HA VAL C 11 0.601 4.043 -19.409 1.00 0.00 H new ATOM 0 HB VAL C 11 -0.845 1.378 -19.317 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -2.745 2.810 -20.016 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.004 3.419 -18.517 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -1.662 4.221 -20.068 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.332 1.662 -21.730 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -0.249 3.073 -21.783 1.00 0.00 H new ATOM 0 HG23 VAL C 11 0.414 1.456 -21.450 1.00 0.00 H new ATOM 50 N ALA C 12 -0.188 3.514 -16.962 1.00 0.00 N ATOM 51 CA ALA C 12 -0.233 3.351 -15.482 1.00 0.00 C ATOM 52 C ALA C 12 -1.193 2.213 -15.126 1.00 0.00 C ATOM 53 O ALA C 12 -2.390 2.401 -15.041 1.00 0.00 O ATOM 54 CB ALA C 12 -0.721 4.651 -14.840 1.00 0.00 C ATOM 0 H ALA C 12 -0.800 4.238 -17.338 1.00 0.00 H new ATOM 0 HA ALA C 12 0.764 3.116 -15.110 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.754 4.532 -13.757 1.00 0.00 H new ATOM 0 HB2 ALA C 12 -0.038 5.462 -15.095 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.719 4.887 -15.210 1.00 0.00 H new ATOM 60 N LEU C 13 -0.676 1.033 -14.916 1.00 0.00 N ATOM 61 CA LEU C 13 -1.557 -0.116 -14.566 1.00 0.00 C ATOM 62 C LEU C 13 -2.268 0.164 -13.240 1.00 0.00 C ATOM 63 O LEU C 13 -3.390 -0.253 -13.028 1.00 0.00 O ATOM 64 CB LEU C 13 -0.713 -1.384 -14.425 1.00 0.00 C ATOM 65 CG LEU C 13 -0.440 -1.978 -15.808 1.00 0.00 C ATOM 66 CD1 LEU C 13 0.272 -3.323 -15.650 1.00 0.00 C ATOM 67 CD2 LEU C 13 -1.764 -2.186 -16.547 1.00 0.00 C ATOM 0 H LEU C 13 0.319 0.816 -14.972 1.00 0.00 H new ATOM 0 HA LEU C 13 -2.297 -0.253 -15.355 1.00 0.00 H new ATOM 0 HB2 LEU C 13 0.228 -1.153 -13.926 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -1.234 -2.112 -13.802 1.00 0.00 H new ATOM 0 HG LEU C 13 0.190 -1.296 -16.379 1.00 0.00 H new ATOM 0 HD11 LEU C 13 0.468 -3.749 -16.634 1.00 0.00 H new ATOM 0 HD12 LEU C 13 1.215 -3.176 -15.124 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -0.359 -4.004 -15.079 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -1.568 -2.609 -17.532 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -2.395 -2.868 -15.978 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -2.273 -1.229 -16.658 1.00 0.00 H new ATOM 79 N TYR C 14 -1.628 0.865 -12.345 1.00 0.00 N ATOM 80 CA TYR C 14 -2.275 1.166 -11.038 1.00 0.00 C ATOM 81 C TYR C 14 -2.096 2.646 -10.694 1.00 0.00 C ATOM 82 O TYR C 14 -1.039 3.214 -10.885 1.00 0.00 O ATOM 83 CB TYR C 14 -1.634 0.309 -9.949 1.00 0.00 C ATOM 84 CG TYR C 14 -1.976 -1.155 -10.214 1.00 0.00 C ATOM 85 CD1 TYR C 14 -1.485 -1.792 -11.331 1.00 0.00 C ATOM 86 CD2 TYR C 14 -2.780 -1.854 -9.342 1.00 0.00 C ATOM 87 CE1 TYR C 14 -1.791 -3.114 -11.576 1.00 0.00 C ATOM 88 CE2 TYR C 14 -3.088 -3.178 -9.583 1.00 0.00 C ATOM 89 CZ TYR C 14 -2.596 -3.819 -10.703 1.00 0.00 C ATOM 90 OH TYR C 14 -2.903 -5.143 -10.945 1.00 0.00 O ATOM 0 H TYR C 14 -0.687 1.241 -12.462 1.00 0.00 H new ATOM 0 HA TYR C 14 -3.340 0.942 -11.104 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -0.553 0.450 -9.945 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -1.999 0.611 -8.967 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -0.855 -1.252 -12.022 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -3.172 -1.363 -8.464 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -1.399 -3.601 -12.456 1.00 0.00 H new ATOM 0 HE2 TYR C 14 -3.718 -3.716 -8.891 1.00 0.00 H new ATOM 0 HH TYR C 14 -3.479 -5.482 -10.228 1.00 0.00 H new ATOM 100 N ASP C 15 -3.121 3.277 -10.189 1.00 0.00 N ATOM 101 CA ASP C 15 -3.009 4.717 -9.833 1.00 0.00 C ATOM 102 C ASP C 15 -1.817 4.914 -8.895 1.00 0.00 C ATOM 103 O ASP C 15 -1.777 4.377 -7.807 1.00 0.00 O ATOM 104 CB ASP C 15 -4.292 5.168 -9.135 1.00 0.00 C ATOM 105 CG ASP C 15 -4.823 4.034 -8.256 1.00 0.00 C ATOM 106 OD1 ASP C 15 -4.200 3.755 -7.243 1.00 0.00 O ATOM 107 OD2 ASP C 15 -5.842 3.464 -8.609 1.00 0.00 O ATOM 0 H ASP C 15 -4.032 2.855 -10.008 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.862 5.309 -10.736 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -4.096 6.052 -8.528 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -5.041 5.450 -9.875 1.00 0.00 H new ATOM 112 N TYR C 16 -0.847 5.683 -9.307 1.00 0.00 N ATOM 113 CA TYR C 16 0.341 5.911 -8.436 1.00 0.00 C ATOM 114 C TYR C 16 0.217 7.269 -7.745 1.00 0.00 C ATOM 115 O TYR C 16 0.104 8.296 -8.385 1.00 0.00 O ATOM 116 CB TYR C 16 1.606 5.886 -9.294 1.00 0.00 C ATOM 117 CG TYR C 16 2.821 6.248 -8.437 1.00 0.00 C ATOM 118 CD1 TYR C 16 2.971 5.715 -7.172 1.00 0.00 C ATOM 119 CD2 TYR C 16 3.788 7.104 -8.921 1.00 0.00 C ATOM 120 CE1 TYR C 16 4.073 6.033 -6.406 1.00 0.00 C ATOM 121 CE2 TYR C 16 4.890 7.422 -8.155 1.00 0.00 C ATOM 122 CZ TYR C 16 5.042 6.889 -6.890 1.00 0.00 C ATOM 123 OH TYR C 16 6.143 7.207 -6.123 1.00 0.00 O ATOM 0 H TYR C 16 -0.825 6.163 -10.207 1.00 0.00 H new ATOM 0 HA TYR C 16 0.396 5.127 -7.680 1.00 0.00 H new ATOM 0 HB2 TYR C 16 1.740 4.897 -9.732 1.00 0.00 H new ATOM 0 HB3 TYR C 16 1.510 6.590 -10.121 1.00 0.00 H new ATOM 0 HD1 TYR C 16 2.220 5.045 -6.780 1.00 0.00 H new ATOM 0 HD2 TYR C 16 3.681 7.529 -9.908 1.00 0.00 H new ATOM 0 HE1 TYR C 16 4.179 5.609 -5.419 1.00 0.00 H new ATOM 0 HE2 TYR C 16 5.640 8.093 -8.547 1.00 0.00 H new ATOM 0 HH TYR C 16 6.949 6.833 -6.536 1.00 0.00 H new ATOM 133 N GLU C 17 0.240 7.282 -6.441 1.00 0.00 N ATOM 134 CA GLU C 17 0.124 8.571 -5.704 1.00 0.00 C ATOM 135 C GLU C 17 1.474 8.917 -5.070 1.00 0.00 C ATOM 136 O GLU C 17 1.617 8.932 -3.864 1.00 0.00 O ATOM 137 CB GLU C 17 -0.943 8.447 -4.613 1.00 0.00 C ATOM 138 CG GLU C 17 -0.610 7.272 -3.688 1.00 0.00 C ATOM 139 CD GLU C 17 -1.779 7.030 -2.733 1.00 0.00 C ATOM 140 OE1 GLU C 17 -2.903 7.304 -3.120 1.00 0.00 O ATOM 141 OE2 GLU C 17 -1.532 6.572 -1.629 1.00 0.00 O ATOM 0 H GLU C 17 0.334 6.454 -5.853 1.00 0.00 H new ATOM 0 HA GLU C 17 -0.164 9.361 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -0.995 9.371 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -1.923 8.298 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -0.415 6.375 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU C 17 0.297 7.486 -3.123 1.00 0.00 H new ATOM 148 N SER C 18 2.462 9.194 -5.877 1.00 0.00 N ATOM 149 CA SER C 18 3.805 9.539 -5.327 1.00 0.00 C ATOM 150 C SER C 18 3.641 10.481 -4.134 1.00 0.00 C ATOM 151 O SER C 18 2.742 11.297 -4.095 1.00 0.00 O ATOM 152 CB SER C 18 4.638 10.230 -6.410 1.00 0.00 C ATOM 153 OG SER C 18 3.802 10.570 -7.505 1.00 0.00 O ATOM 0 H SER C 18 2.397 9.196 -6.895 1.00 0.00 H new ATOM 0 HA SER C 18 4.310 8.628 -5.005 1.00 0.00 H new ATOM 0 HB2 SER C 18 5.108 11.126 -6.006 1.00 0.00 H new ATOM 0 HB3 SER C 18 5.440 9.571 -6.742 1.00 0.00 H new ATOM 0 HG SER C 18 3.926 9.918 -8.226 1.00 0.00 H new ATOM 159 N ARG C 19 4.502 10.376 -3.160 1.00 0.00 N ATOM 160 CA ARG C 19 4.391 11.267 -1.971 1.00 0.00 C ATOM 161 C ARG C 19 5.487 12.332 -2.036 1.00 0.00 C ATOM 162 O ARG C 19 5.477 13.295 -1.295 1.00 0.00 O ATOM 163 CB ARG C 19 4.546 10.455 -0.674 1.00 0.00 C ATOM 164 CG ARG C 19 4.434 8.952 -0.961 1.00 0.00 C ATOM 165 CD ARG C 19 3.784 8.239 0.231 1.00 0.00 C ATOM 166 NE ARG C 19 4.045 9.003 1.485 1.00 0.00 N ATOM 167 CZ ARG C 19 3.312 8.791 2.546 1.00 0.00 C ATOM 168 NH1 ARG C 19 2.351 7.906 2.514 1.00 0.00 N ATOM 169 NH2 ARG C 19 3.542 9.463 3.639 1.00 0.00 N ATOM 0 H ARG C 19 5.277 9.713 -3.136 1.00 0.00 H new ATOM 0 HA ARG C 19 3.409 11.740 -1.974 1.00 0.00 H new ATOM 0 HB2 ARG C 19 5.511 10.672 -0.216 1.00 0.00 H new ATOM 0 HB3 ARG C 19 3.779 10.752 0.041 1.00 0.00 H new ATOM 0 HG2 ARG C 19 3.841 8.788 -1.861 1.00 0.00 H new ATOM 0 HG3 ARG C 19 5.423 8.535 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG C 19 2.710 8.146 0.069 1.00 0.00 H new ATOM 0 HD3 ARG C 19 4.181 7.228 0.322 1.00 0.00 H new ATOM 0 HE ARG C 19 4.797 9.692 1.515 1.00 0.00 H new ATOM 0 HH11 ARG C 19 2.172 7.379 1.660 1.00 0.00 H new ATOM 0 HH12 ARG C 19 1.780 7.743 3.344 1.00 0.00 H new ATOM 0 HH21 ARG C 19 4.293 10.153 3.665 1.00 0.00 H new ATOM 0 HH22 ARG C 19 2.971 9.299 4.468 1.00 0.00 H new ATOM 183 N THR C 20 6.434 12.168 -2.919 1.00 0.00 N ATOM 184 CA THR C 20 7.531 13.170 -3.034 1.00 0.00 C ATOM 185 C THR C 20 7.282 14.059 -4.255 1.00 0.00 C ATOM 186 O THR C 20 6.499 13.728 -5.123 1.00 0.00 O ATOM 187 CB THR C 20 8.871 12.446 -3.192 1.00 0.00 C ATOM 188 OG1 THR C 20 9.926 13.397 -3.182 1.00 0.00 O ATOM 189 CG2 THR C 20 8.885 11.678 -4.515 1.00 0.00 C ATOM 0 H THR C 20 6.495 11.382 -3.566 1.00 0.00 H new ATOM 0 HA THR C 20 7.557 13.786 -2.135 1.00 0.00 H new ATOM 0 HB THR C 20 9.006 11.746 -2.367 1.00 0.00 H new ATOM 0 HG1 THR C 20 10.784 12.935 -3.281 1.00 0.00 H new ATOM 0 HG21 THR C 20 9.839 11.163 -4.627 1.00 0.00 H new ATOM 0 HG22 THR C 20 8.076 10.948 -4.520 1.00 0.00 H new ATOM 0 HG23 THR C 20 8.750 12.375 -5.342 1.00 0.00 H new ATOM 197 N GLU C 21 7.940 15.183 -4.330 1.00 0.00 N ATOM 198 CA GLU C 21 7.741 16.090 -5.491 1.00 0.00 C ATOM 199 C GLU C 21 8.512 15.560 -6.704 1.00 0.00 C ATOM 200 O GLU C 21 8.194 15.873 -7.835 1.00 0.00 O ATOM 201 CB GLU C 21 8.253 17.485 -5.130 1.00 0.00 C ATOM 202 CG GLU C 21 7.987 17.761 -3.649 1.00 0.00 C ATOM 203 CD GLU C 21 9.307 17.732 -2.877 1.00 0.00 C ATOM 204 OE1 GLU C 21 10.216 17.051 -3.322 1.00 0.00 O ATOM 205 OE2 GLU C 21 9.387 18.393 -1.854 1.00 0.00 O ATOM 0 H GLU C 21 8.609 15.512 -3.634 1.00 0.00 H new ATOM 0 HA GLU C 21 6.680 16.138 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU C 21 9.321 17.557 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU C 21 7.757 18.236 -5.745 1.00 0.00 H new ATOM 0 HG2 GLU C 21 7.506 18.732 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU C 21 7.302 17.014 -3.247 1.00 0.00 H new ATOM 212 N THR C 22 9.522 14.763 -6.483 1.00 0.00 N ATOM 213 CA THR C 22 10.306 14.221 -7.632 1.00 0.00 C ATOM 214 C THR C 22 9.400 13.346 -8.501 1.00 0.00 C ATOM 215 O THR C 22 9.026 13.715 -9.597 1.00 0.00 O ATOM 216 CB THR C 22 11.475 13.380 -7.109 1.00 0.00 C ATOM 217 OG1 THR C 22 12.082 14.046 -6.010 1.00 0.00 O ATOM 218 CG2 THR C 22 12.502 13.187 -8.224 1.00 0.00 C ATOM 0 H THR C 22 9.838 14.464 -5.560 1.00 0.00 H new ATOM 0 HA THR C 22 10.693 15.049 -8.226 1.00 0.00 H new ATOM 0 HB THR C 22 11.108 12.407 -6.784 1.00 0.00 H new ATOM 0 HG1 THR C 22 12.829 13.508 -5.674 1.00 0.00 H new ATOM 0 HG21 THR C 22 13.334 12.589 -7.853 1.00 0.00 H new ATOM 0 HG22 THR C 22 12.034 12.675 -9.065 1.00 0.00 H new ATOM 0 HG23 THR C 22 12.871 14.159 -8.551 1.00 0.00 H new ATOM 226 N ASP C 23 9.046 12.186 -8.020 1.00 0.00 N ATOM 227 CA ASP C 23 8.165 11.283 -8.813 1.00 0.00 C ATOM 228 C ASP C 23 6.763 11.883 -8.882 1.00 0.00 C ATOM 229 O ASP C 23 6.165 12.196 -7.871 1.00 0.00 O ATOM 230 CB ASP C 23 8.095 9.914 -8.130 1.00 0.00 C ATOM 231 CG ASP C 23 9.490 9.491 -7.660 1.00 0.00 C ATOM 232 OD1 ASP C 23 10.433 10.216 -7.927 1.00 0.00 O ATOM 233 OD2 ASP C 23 9.591 8.443 -7.042 1.00 0.00 O ATOM 0 H ASP C 23 9.330 11.824 -7.110 1.00 0.00 H new ATOM 0 HA ASP C 23 8.567 11.170 -9.820 1.00 0.00 H new ATOM 0 HB2 ASP C 23 7.413 9.957 -7.280 1.00 0.00 H new ATOM 0 HB3 ASP C 23 7.695 9.173 -8.822 1.00 0.00 H new ATOM 238 N LEU C 24 6.223 12.046 -10.060 1.00 0.00 N ATOM 239 CA LEU C 24 4.856 12.628 -10.158 1.00 0.00 C ATOM 240 C LEU C 24 3.826 11.537 -9.886 1.00 0.00 C ATOM 241 O LEU C 24 4.132 10.361 -9.898 1.00 0.00 O ATOM 242 CB LEU C 24 4.615 13.209 -11.554 1.00 0.00 C ATOM 243 CG LEU C 24 5.927 13.703 -12.169 1.00 0.00 C ATOM 244 CD1 LEU C 24 5.605 14.537 -13.408 1.00 0.00 C ATOM 245 CD2 LEU C 24 6.692 14.574 -11.169 1.00 0.00 C ATOM 0 H LEU C 24 6.664 11.804 -10.948 1.00 0.00 H new ATOM 0 HA LEU C 24 4.762 13.428 -9.423 1.00 0.00 H new ATOM 0 HB2 LEU C 24 4.169 12.450 -12.197 1.00 0.00 H new ATOM 0 HB3 LEU C 24 3.904 14.033 -11.493 1.00 0.00 H new ATOM 0 HG LEU C 24 6.543 12.844 -12.434 1.00 0.00 H new ATOM 0 HD11 LEU C 24 6.532 14.895 -13.856 1.00 0.00 H new ATOM 0 HD12 LEU C 24 5.066 13.923 -14.130 1.00 0.00 H new ATOM 0 HD13 LEU C 24 4.987 15.388 -13.123 1.00 0.00 H new ATOM 0 HD21 LEU C 24 7.622 14.917 -11.622 1.00 0.00 H new ATOM 0 HD22 LEU C 24 6.082 15.435 -10.896 1.00 0.00 H new ATOM 0 HD23 LEU C 24 6.917 13.991 -10.276 1.00 0.00 H new ATOM 257 N SER C 25 2.608 11.916 -9.639 1.00 0.00 N ATOM 258 CA SER C 25 1.554 10.903 -9.366 1.00 0.00 C ATOM 259 C SER C 25 0.625 10.795 -10.575 1.00 0.00 C ATOM 260 O SER C 25 0.179 11.786 -11.117 1.00 0.00 O ATOM 261 CB SER C 25 0.744 11.337 -8.147 1.00 0.00 C ATOM 262 OG SER C 25 1.237 12.579 -7.666 1.00 0.00 O ATOM 0 H SER C 25 2.294 12.886 -9.614 1.00 0.00 H new ATOM 0 HA SER C 25 2.019 9.935 -9.176 1.00 0.00 H new ATOM 0 HB2 SER C 25 -0.309 11.430 -8.412 1.00 0.00 H new ATOM 0 HB3 SER C 25 0.810 10.580 -7.365 1.00 0.00 H new ATOM 0 HG SER C 25 0.715 12.857 -6.884 1.00 0.00 H new ATOM 268 N PHE C 26 0.329 9.599 -11.006 1.00 0.00 N ATOM 269 CA PHE C 26 -0.572 9.442 -12.181 1.00 0.00 C ATOM 270 C PHE C 26 -1.788 8.607 -11.782 1.00 0.00 C ATOM 271 O PHE C 26 -1.892 8.133 -10.668 1.00 0.00 O ATOM 272 CB PHE C 26 0.170 8.753 -13.331 1.00 0.00 C ATOM 273 CG PHE C 26 0.906 7.514 -12.819 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.266 6.291 -12.778 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.228 7.598 -12.418 1.00 0.00 C ATOM 276 CE1 PHE C 26 0.937 5.165 -12.344 1.00 0.00 C ATOM 277 CE2 PHE C 26 2.898 6.471 -11.983 1.00 0.00 C ATOM 278 CZ PHE C 26 2.252 5.255 -11.948 1.00 0.00 C ATOM 0 H PHE C 26 0.670 8.729 -10.597 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.897 10.428 -12.513 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.537 8.469 -14.111 1.00 0.00 H new ATOM 0 HB3 PHE C 26 0.880 9.446 -13.782 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.766 6.215 -13.087 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.738 8.549 -12.445 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.429 4.212 -12.315 1.00 0.00 H new ATOM 0 HE2 PHE C 26 3.929 6.543 -11.670 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.777 4.373 -11.610 1.00 0.00 H new ATOM 288 N LYS C 27 -2.707 8.421 -12.687 1.00 0.00 N ATOM 289 CA LYS C 27 -3.920 7.617 -12.364 1.00 0.00 C ATOM 290 C LYS C 27 -4.097 6.511 -13.405 1.00 0.00 C ATOM 291 O LYS C 27 -3.326 6.390 -14.336 1.00 0.00 O ATOM 292 CB LYS C 27 -5.149 8.529 -12.375 1.00 0.00 C ATOM 293 CG LYS C 27 -6.102 8.118 -11.252 1.00 0.00 C ATOM 294 CD LYS C 27 -7.540 8.446 -11.659 1.00 0.00 C ATOM 295 CE LYS C 27 -7.907 9.842 -11.153 1.00 0.00 C ATOM 296 NZ LYS C 27 -8.853 9.725 -10.008 1.00 0.00 N ATOM 0 H LYS C 27 -2.672 8.791 -13.637 1.00 0.00 H new ATOM 0 HA LYS C 27 -3.805 7.168 -11.378 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -4.845 9.568 -12.246 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.655 8.463 -13.338 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -6.004 7.051 -11.049 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -5.844 8.642 -10.332 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -7.641 8.402 -12.743 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -8.224 7.706 -11.245 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -7.008 10.375 -10.843 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -8.361 10.423 -11.955 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -9.102 10.675 -9.665 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -9.715 9.232 -10.319 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -8.404 9.186 -9.240 1.00 0.00 H new ATOM 310 N LYS C 28 -5.109 5.701 -13.253 1.00 0.00 N ATOM 311 CA LYS C 28 -5.340 4.602 -14.231 1.00 0.00 C ATOM 312 C LYS C 28 -5.785 5.198 -15.568 1.00 0.00 C ATOM 313 O LYS C 28 -6.533 6.155 -15.613 1.00 0.00 O ATOM 314 CB LYS C 28 -6.428 3.667 -13.699 1.00 0.00 C ATOM 315 CG LYS C 28 -6.765 2.617 -14.760 1.00 0.00 C ATOM 316 CD LYS C 28 -6.780 1.229 -14.118 1.00 0.00 C ATOM 317 CE LYS C 28 -7.831 1.191 -13.007 1.00 0.00 C ATOM 318 NZ LYS C 28 -7.500 0.100 -12.048 1.00 0.00 N ATOM 0 H LYS C 28 -5.786 5.754 -12.492 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.417 4.039 -14.373 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -6.088 3.180 -12.785 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -7.320 4.239 -13.442 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -7.736 2.834 -15.206 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -6.031 2.649 -15.565 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -7.003 0.472 -14.870 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -5.796 0.995 -13.711 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -7.862 2.149 -12.488 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -8.821 1.027 -13.433 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -8.214 0.074 -11.292 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -7.492 -0.812 -12.549 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -6.563 0.275 -11.633 1.00 0.00 H new ATOM 332 N GLY C 29 -5.332 4.642 -16.657 1.00 0.00 N ATOM 333 CA GLY C 29 -5.731 5.179 -17.987 1.00 0.00 C ATOM 334 C GLY C 29 -4.708 6.222 -18.444 1.00 0.00 C ATOM 335 O GLY C 29 -4.530 6.457 -19.622 1.00 0.00 O ATOM 0 H GLY C 29 -4.703 3.839 -16.683 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.791 4.370 -18.715 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.722 5.628 -17.927 1.00 0.00 H new ATOM 339 N GLU C 30 -4.032 6.848 -17.518 1.00 0.00 N ATOM 340 CA GLU C 30 -3.020 7.874 -17.898 1.00 0.00 C ATOM 341 C GLU C 30 -1.837 7.191 -18.586 1.00 0.00 C ATOM 342 O GLU C 30 -1.155 6.373 -18.002 1.00 0.00 O ATOM 343 CB GLU C 30 -2.532 8.596 -16.641 1.00 0.00 C ATOM 344 CG GLU C 30 -1.776 9.866 -17.040 1.00 0.00 C ATOM 345 CD GLU C 30 -2.017 10.955 -15.992 1.00 0.00 C ATOM 346 OE1 GLU C 30 -2.071 10.619 -14.820 1.00 0.00 O ATOM 347 OE2 GLU C 30 -2.143 12.104 -16.380 1.00 0.00 O ATOM 0 H GLU C 30 -4.137 6.693 -16.515 1.00 0.00 H new ATOM 0 HA GLU C 30 -3.470 8.595 -18.580 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -3.379 8.850 -16.003 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -1.882 7.940 -16.062 1.00 0.00 H new ATOM 0 HG2 GLU C 30 -0.710 9.656 -17.123 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -2.111 10.209 -18.019 1.00 0.00 H new ATOM 354 N ARG C 31 -1.586 7.521 -19.824 1.00 0.00 N ATOM 355 CA ARG C 31 -0.446 6.889 -20.546 1.00 0.00 C ATOM 356 C ARG C 31 0.813 7.739 -20.360 1.00 0.00 C ATOM 357 O ARG C 31 0.759 8.953 -20.342 1.00 0.00 O ATOM 358 CB ARG C 31 -0.780 6.788 -22.036 1.00 0.00 C ATOM 359 CG ARG C 31 -0.755 5.320 -22.467 1.00 0.00 C ATOM 360 CD ARG C 31 -2.154 4.896 -22.917 1.00 0.00 C ATOM 361 NE ARG C 31 -2.150 4.649 -24.387 1.00 0.00 N ATOM 362 CZ ARG C 31 -3.112 3.961 -24.939 1.00 0.00 C ATOM 363 NH1 ARG C 31 -4.084 3.484 -24.208 1.00 0.00 N ATOM 364 NH2 ARG C 31 -3.104 3.749 -26.228 1.00 0.00 N ATOM 0 H ARG C 31 -2.121 8.200 -20.366 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.270 5.891 -20.144 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -1.763 7.218 -22.229 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -0.061 7.362 -22.620 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -0.042 5.181 -23.280 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -0.422 4.693 -21.640 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -2.460 3.994 -22.387 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -2.878 5.672 -22.670 1.00 0.00 H new ATOM 0 HE ARG C 31 -1.394 5.019 -24.963 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -4.093 3.649 -23.201 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -4.834 2.947 -24.644 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -2.347 4.121 -26.801 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.855 3.212 -26.661 1.00 0.00 H new ATOM 378 N LEU C 32 1.948 7.110 -20.219 1.00 0.00 N ATOM 379 CA LEU C 32 3.211 7.878 -20.035 1.00 0.00 C ATOM 380 C LEU C 32 4.275 7.337 -20.991 1.00 0.00 C ATOM 381 O LEU C 32 4.194 6.216 -21.451 1.00 0.00 O ATOM 382 CB LEU C 32 3.696 7.723 -18.592 1.00 0.00 C ATOM 383 CG LEU C 32 2.492 7.712 -17.648 1.00 0.00 C ATOM 384 CD1 LEU C 32 2.130 6.266 -17.301 1.00 0.00 C ATOM 385 CD2 LEU C 32 2.841 8.472 -16.367 1.00 0.00 C ATOM 0 H LEU C 32 2.055 6.096 -20.223 1.00 0.00 H new ATOM 0 HA LEU C 32 3.032 8.932 -20.246 1.00 0.00 H new ATOM 0 HB2 LEU C 32 4.264 6.799 -18.485 1.00 0.00 H new ATOM 0 HB3 LEU C 32 4.368 8.542 -18.333 1.00 0.00 H new ATOM 0 HG LEU C 32 1.644 8.192 -18.135 1.00 0.00 H new ATOM 0 HD11 LEU C 32 1.272 6.257 -16.628 1.00 0.00 H new ATOM 0 HD12 LEU C 32 1.881 5.724 -18.214 1.00 0.00 H new ATOM 0 HD13 LEU C 32 2.978 5.786 -16.814 1.00 0.00 H new ATOM 0 HD21 LEU C 32 1.983 8.464 -15.694 1.00 0.00 H new ATOM 0 HD22 LEU C 32 3.689 7.992 -15.879 1.00 0.00 H new ATOM 0 HD23 LEU C 32 3.099 9.502 -16.614 1.00 0.00 H new ATOM 397 N GLN C 33 5.275 8.120 -21.293 1.00 0.00 N ATOM 398 CA GLN C 33 6.336 7.637 -22.221 1.00 0.00 C ATOM 399 C GLN C 33 7.527 7.118 -21.413 1.00 0.00 C ATOM 400 O GLN C 33 8.161 7.852 -20.682 1.00 0.00 O ATOM 401 CB GLN C 33 6.793 8.788 -23.120 1.00 0.00 C ATOM 402 CG GLN C 33 7.512 8.220 -24.345 1.00 0.00 C ATOM 403 CD GLN C 33 7.365 9.188 -25.520 1.00 0.00 C ATOM 404 OE1 GLN C 33 6.330 9.238 -26.155 1.00 0.00 O ATOM 405 NE2 GLN C 33 8.364 9.965 -25.838 1.00 0.00 N ATOM 0 H GLN C 33 5.403 9.068 -20.939 1.00 0.00 H new ATOM 0 HA GLN C 33 5.937 6.831 -22.837 1.00 0.00 H new ATOM 0 HB2 GLN C 33 5.935 9.384 -23.432 1.00 0.00 H new ATOM 0 HB3 GLN C 33 7.459 9.452 -22.569 1.00 0.00 H new ATOM 0 HG2 GLN C 33 8.567 8.063 -24.120 1.00 0.00 H new ATOM 0 HG3 GLN C 33 7.094 7.248 -24.607 1.00 0.00 H new ATOM 0 HE21 GLN C 33 9.233 9.923 -25.305 1.00 0.00 H new ATOM 0 HE22 GLN C 33 8.276 10.614 -26.620 1.00 0.00 H new ATOM 414 N ILE C 34 7.834 5.855 -21.539 1.00 0.00 N ATOM 415 CA ILE C 34 8.984 5.290 -20.778 1.00 0.00 C ATOM 416 C ILE C 34 10.287 5.884 -21.315 1.00 0.00 C ATOM 417 O ILE C 34 10.455 6.058 -22.506 1.00 0.00 O ATOM 418 CB ILE C 34 9.009 3.770 -20.947 1.00 0.00 C ATOM 419 CG1 ILE C 34 7.676 3.182 -20.480 1.00 0.00 C ATOM 420 CG2 ILE C 34 10.147 3.184 -20.109 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.396 3.634 -19.045 1.00 0.00 C ATOM 0 H ILE C 34 7.339 5.192 -22.135 1.00 0.00 H new ATOM 0 HA ILE C 34 8.879 5.536 -19.721 1.00 0.00 H new ATOM 0 HB ILE C 34 9.166 3.523 -21.997 1.00 0.00 H new ATOM 0 HG12 ILE C 34 6.871 3.508 -21.139 1.00 0.00 H new ATOM 0 HG13 ILE C 34 7.708 2.094 -20.530 1.00 0.00 H new ATOM 0 HG21 ILE C 34 10.166 2.101 -20.228 1.00 0.00 H new ATOM 0 HG22 ILE C 34 11.097 3.603 -20.442 1.00 0.00 H new ATOM 0 HG23 ILE C 34 9.990 3.431 -19.059 1.00 0.00 H new ATOM 0 HD11 ILE C 34 6.447 3.216 -18.711 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.196 3.286 -18.391 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.346 4.722 -19.010 1.00 0.00 H new ATOM 433 N VAL C 35 11.210 6.197 -20.449 1.00 0.00 N ATOM 434 CA VAL C 35 12.499 6.780 -20.915 1.00 0.00 C ATOM 435 C VAL C 35 13.595 5.715 -20.864 1.00 0.00 C ATOM 436 O VAL C 35 13.852 5.027 -21.831 1.00 0.00 O ATOM 437 CB VAL C 35 12.885 7.952 -20.011 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.273 8.462 -20.402 1.00 0.00 C ATOM 439 CG2 VAL C 35 11.862 9.079 -20.176 1.00 0.00 C ATOM 0 H VAL C 35 11.128 6.075 -19.440 1.00 0.00 H new ATOM 0 HA VAL C 35 12.386 7.132 -21.940 1.00 0.00 H new ATOM 0 HB VAL C 35 12.899 7.622 -18.972 1.00 0.00 H new ATOM 0 HG11 VAL C 35 14.548 9.297 -19.758 1.00 0.00 H new ATOM 0 HG12 VAL C 35 15.001 7.659 -20.287 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.260 8.793 -21.440 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.135 9.915 -19.533 1.00 0.00 H new ATOM 0 HG22 VAL C 35 11.849 9.409 -21.215 1.00 0.00 H new ATOM 0 HG23 VAL C 35 10.873 8.716 -19.898 1.00 0.00 H new ATOM 449 N ASN C 36 14.243 5.573 -19.740 1.00 0.00 N ATOM 450 CA ASN C 36 15.323 4.553 -19.627 1.00 0.00 C ATOM 451 C ASN C 36 15.112 3.727 -18.356 1.00 0.00 C ATOM 452 O ASN C 36 14.031 3.686 -17.806 1.00 0.00 O ATOM 453 CB ASN C 36 16.680 5.255 -19.565 1.00 0.00 C ATOM 454 CG ASN C 36 17.487 4.916 -20.820 1.00 0.00 C ATOM 455 OD1 ASN C 36 18.468 4.202 -20.751 1.00 0.00 O ATOM 456 ND2 ASN C 36 17.112 5.401 -21.972 1.00 0.00 N ATOM 0 H ASN C 36 14.071 6.119 -18.896 1.00 0.00 H new ATOM 0 HA ASN C 36 15.296 3.894 -20.495 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.541 6.333 -19.490 1.00 0.00 H new ATOM 0 HB3 ASN C 36 17.224 4.941 -18.674 1.00 0.00 H new ATOM 0 HD21 ASN C 36 17.642 5.181 -22.815 1.00 0.00 H new ATOM 0 HD22 ASN C 36 16.289 6.000 -22.029 1.00 0.00 H new ATOM 463 N ASN C 37 16.138 3.068 -17.887 1.00 0.00 N ATOM 464 CA ASN C 37 15.996 2.246 -16.651 1.00 0.00 C ATOM 465 C ASN C 37 15.217 0.969 -16.972 1.00 0.00 C ATOM 466 O ASN C 37 14.065 0.826 -16.615 1.00 0.00 O ATOM 467 CB ASN C 37 15.247 3.050 -15.585 1.00 0.00 C ATOM 468 CG ASN C 37 15.783 4.483 -15.558 1.00 0.00 C ATOM 469 OD1 ASN C 37 15.053 5.450 -16.042 1.00 0.00 O flip ATOM 470 ND2 ASN C 37 16.881 4.724 -15.097 1.00 0.00 N flip ATOM 0 H ASN C 37 17.068 3.064 -18.306 1.00 0.00 H new ATOM 0 HA ASN C 37 16.985 1.981 -16.276 1.00 0.00 H new ATOM 0 HB2 ASN C 37 14.179 3.054 -15.801 1.00 0.00 H new ATOM 0 HB3 ASN C 37 15.373 2.585 -14.607 1.00 0.00 H new ATOM 0 HD21 ASN C 37 17.452 3.968 -14.718 1.00 0.00 H new ATOM 0 HD22 ASN C 37 17.232 5.682 -15.089 1.00 0.00 H new ATOM 477 N THR C 38 15.836 0.039 -17.646 1.00 0.00 N ATOM 478 CA THR C 38 15.130 -1.228 -17.988 1.00 0.00 C ATOM 479 C THR C 38 15.100 -2.136 -16.759 1.00 0.00 C ATOM 480 O THR C 38 14.191 -2.923 -16.576 1.00 0.00 O ATOM 481 CB THR C 38 15.869 -1.933 -19.127 1.00 0.00 C ATOM 482 OG1 THR C 38 15.297 -3.216 -19.336 1.00 0.00 O ATOM 483 CG2 THR C 38 17.347 -2.086 -18.763 1.00 0.00 C ATOM 0 H THR C 38 16.800 0.102 -17.975 1.00 0.00 H new ATOM 0 HA THR C 38 14.110 -1.005 -18.303 1.00 0.00 H new ATOM 0 HB THR C 38 15.781 -1.341 -20.038 1.00 0.00 H new ATOM 0 HG1 THR C 38 15.768 -3.669 -20.066 1.00 0.00 H new ATOM 0 HG21 THR C 38 17.872 -2.588 -19.576 1.00 0.00 H new ATOM 0 HG22 THR C 38 17.786 -1.101 -18.602 1.00 0.00 H new ATOM 0 HG23 THR C 38 17.438 -2.677 -17.852 1.00 0.00 H new ATOM 491 N GLU C 39 16.088 -2.033 -15.914 1.00 0.00 N ATOM 492 CA GLU C 39 16.123 -2.887 -14.697 1.00 0.00 C ATOM 493 C GLU C 39 15.622 -2.082 -13.496 1.00 0.00 C ATOM 494 O GLU C 39 15.086 -1.001 -13.639 1.00 0.00 O ATOM 495 CB GLU C 39 17.562 -3.333 -14.443 1.00 0.00 C ATOM 496 CG GLU C 39 17.863 -4.583 -15.272 1.00 0.00 C ATOM 497 CD GLU C 39 19.210 -4.413 -15.977 1.00 0.00 C ATOM 498 OE1 GLU C 39 19.239 -3.757 -17.005 1.00 0.00 O ATOM 499 OE2 GLU C 39 20.190 -4.940 -15.477 1.00 0.00 O ATOM 0 H GLU C 39 16.875 -1.392 -16.016 1.00 0.00 H new ATOM 0 HA GLU C 39 15.485 -3.759 -14.840 1.00 0.00 H new ATOM 0 HB2 GLU C 39 18.254 -2.533 -14.707 1.00 0.00 H new ATOM 0 HB3 GLU C 39 17.707 -3.543 -13.383 1.00 0.00 H new ATOM 0 HG2 GLU C 39 17.885 -5.463 -14.629 1.00 0.00 H new ATOM 0 HG3 GLU C 39 17.074 -4.745 -16.006 1.00 0.00 H new ATOM 506 N GLY C 40 15.791 -2.602 -12.311 1.00 0.00 N ATOM 507 CA GLY C 40 15.325 -1.869 -11.100 1.00 0.00 C ATOM 508 C GLY C 40 13.796 -1.875 -11.050 1.00 0.00 C ATOM 509 O GLY C 40 13.143 -2.608 -11.766 1.00 0.00 O ATOM 0 H GLY C 40 16.232 -3.504 -12.129 1.00 0.00 H new ATOM 0 HA2 GLY C 40 15.730 -2.336 -10.202 1.00 0.00 H new ATOM 0 HA3 GLY C 40 15.694 -0.843 -11.119 1.00 0.00 H new ATOM 513 N ASP C 41 13.220 -1.062 -10.206 1.00 0.00 N ATOM 514 CA ASP C 41 11.735 -1.018 -10.106 1.00 0.00 C ATOM 515 C ASP C 41 11.270 0.439 -10.134 1.00 0.00 C ATOM 516 O ASP C 41 10.194 0.767 -9.674 1.00 0.00 O ATOM 517 CB ASP C 41 11.292 -1.666 -8.794 1.00 0.00 C ATOM 518 CG ASP C 41 10.355 -2.837 -9.094 1.00 0.00 C ATOM 519 OD1 ASP C 41 9.200 -2.583 -9.398 1.00 0.00 O ATOM 520 OD2 ASP C 41 10.807 -3.968 -9.015 1.00 0.00 O ATOM 0 H ASP C 41 13.715 -0.426 -9.581 1.00 0.00 H new ATOM 0 HA ASP C 41 11.297 -1.560 -10.944 1.00 0.00 H new ATOM 0 HB2 ASP C 41 12.161 -2.016 -8.237 1.00 0.00 H new ATOM 0 HB3 ASP C 41 10.785 -0.933 -8.167 1.00 0.00 H new ATOM 525 N TRP C 42 12.075 1.316 -10.666 1.00 0.00 N ATOM 526 CA TRP C 42 11.681 2.752 -10.723 1.00 0.00 C ATOM 527 C TRP C 42 12.219 3.375 -12.012 1.00 0.00 C ATOM 528 O TRP C 42 13.400 3.627 -12.145 1.00 0.00 O ATOM 529 CB TRP C 42 12.267 3.487 -9.517 1.00 0.00 C ATOM 530 CG TRP C 42 11.452 3.147 -8.269 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.755 2.176 -7.392 1.00 0.00 C ATOM 532 CD2 TRP C 42 10.335 3.765 -7.896 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.773 2.249 -6.492 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.844 3.212 -6.730 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.666 4.812 -8.498 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.684 3.704 -6.168 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.507 5.305 -7.935 1.00 0.00 C ATOM 538 CH2 TRP C 42 8.016 4.750 -6.770 1.00 0.00 C ATOM 0 H TRP C 42 12.989 1.101 -11.064 1.00 0.00 H new ATOM 0 HA TRP C 42 10.594 2.834 -10.706 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.309 3.200 -9.374 1.00 0.00 H new ATOM 0 HB3 TRP C 42 12.254 4.563 -9.691 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.595 1.497 -7.411 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.723 1.628 -5.685 1.00 0.00 H new ATOM 0 HE3 TRP C 42 10.050 5.245 -9.410 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 8.299 3.270 -5.257 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 7.984 6.125 -8.405 1.00 0.00 H new ATOM 0 HH2 TRP C 42 7.108 5.135 -6.330 1.00 0.00 H new ATOM 549 N TRP C 43 11.361 3.627 -12.962 1.00 0.00 N ATOM 550 CA TRP C 43 11.823 4.235 -14.241 1.00 0.00 C ATOM 551 C TRP C 43 11.407 5.705 -14.285 1.00 0.00 C ATOM 552 O TRP C 43 10.600 6.157 -13.496 1.00 0.00 O ATOM 553 CB TRP C 43 11.187 3.488 -15.415 1.00 0.00 C ATOM 554 CG TRP C 43 11.506 1.996 -15.294 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.564 1.487 -14.641 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.777 1.013 -15.817 1.00 0.00 C ATOM 557 NE1 TRP C 43 12.426 0.170 -14.799 1.00 0.00 N ATOM 558 CE2 TRP C 43 11.341 -0.213 -15.519 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.615 1.073 -16.560 1.00 0.00 C ATOM 560 CZ2 TRP C 43 10.744 -1.375 -15.964 1.00 0.00 C ATOM 561 CZ3 TRP C 43 9.020 -0.089 -17.007 1.00 0.00 C ATOM 562 CH2 TRP C 43 9.584 -1.313 -16.708 1.00 0.00 C ATOM 0 H TRP C 43 10.360 3.438 -12.908 1.00 0.00 H new ATOM 0 HA TRP C 43 12.909 4.164 -14.309 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.108 3.642 -15.418 1.00 0.00 H new ATOM 0 HB3 TRP C 43 11.568 3.878 -16.359 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.342 2.018 -14.113 1.00 0.00 H new ATOM 0 HE1 TRP C 43 13.087 -0.500 -14.407 1.00 0.00 H new ATOM 0 HE3 TRP C 43 9.171 2.030 -16.792 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 11.185 -2.333 -15.730 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 8.113 -0.041 -17.591 1.00 0.00 H new ATOM 0 HH2 TRP C 43 9.117 -2.222 -17.057 1.00 0.00 H new ATOM 573 N LEU C 44 11.950 6.457 -15.202 1.00 0.00 N ATOM 574 CA LEU C 44 11.586 7.898 -15.297 1.00 0.00 C ATOM 575 C LEU C 44 10.857 8.145 -16.615 1.00 0.00 C ATOM 576 O LEU C 44 11.467 8.343 -17.645 1.00 0.00 O ATOM 577 CB LEU C 44 12.857 8.748 -15.251 1.00 0.00 C ATOM 578 CG LEU C 44 12.537 10.173 -15.712 1.00 0.00 C ATOM 579 CD1 LEU C 44 13.023 11.170 -14.662 1.00 0.00 C ATOM 580 CD2 LEU C 44 13.242 10.449 -17.038 1.00 0.00 C ATOM 0 H LEU C 44 12.631 6.135 -15.890 1.00 0.00 H new ATOM 0 HA LEU C 44 10.938 8.169 -14.463 1.00 0.00 H new ATOM 0 HB2 LEU C 44 13.260 8.764 -14.238 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.623 8.311 -15.892 1.00 0.00 H new ATOM 0 HG LEU C 44 11.460 10.279 -15.843 1.00 0.00 H new ATOM 0 HD11 LEU C 44 12.795 12.184 -14.990 1.00 0.00 H new ATOM 0 HD12 LEU C 44 12.521 10.974 -13.714 1.00 0.00 H new ATOM 0 HD13 LEU C 44 14.100 11.064 -14.531 1.00 0.00 H new ATOM 0 HD21 LEU C 44 13.015 11.463 -17.367 1.00 0.00 H new ATOM 0 HD22 LEU C 44 14.319 10.343 -16.907 1.00 0.00 H new ATOM 0 HD23 LEU C 44 12.896 9.738 -17.789 1.00 0.00 H new ATOM 592 N ALA C 45 9.556 8.142 -16.595 1.00 0.00 N ATOM 593 CA ALA C 45 8.805 8.378 -17.854 1.00 0.00 C ATOM 594 C ALA C 45 8.483 9.865 -17.992 1.00 0.00 C ATOM 595 O ALA C 45 8.280 10.563 -17.018 1.00 0.00 O ATOM 596 CB ALA C 45 7.503 7.573 -17.836 1.00 0.00 C ATOM 0 H ALA C 45 8.983 7.987 -15.765 1.00 0.00 H new ATOM 0 HA ALA C 45 9.415 8.061 -18.699 1.00 0.00 H new ATOM 0 HB1 ALA C 45 6.954 7.748 -18.761 1.00 0.00 H new ATOM 0 HB2 ALA C 45 7.733 6.511 -17.746 1.00 0.00 H new ATOM 0 HB3 ALA C 45 6.894 7.885 -16.988 1.00 0.00 H new ATOM 602 N HIS C 46 8.445 10.355 -19.199 1.00 0.00 N ATOM 603 CA HIS C 46 8.138 11.792 -19.415 1.00 0.00 C ATOM 604 C HIS C 46 6.700 11.911 -19.945 1.00 0.00 C ATOM 605 O HIS C 46 6.269 11.136 -20.775 1.00 0.00 O ATOM 606 CB HIS C 46 9.163 12.372 -20.415 1.00 0.00 C ATOM 607 CG HIS C 46 8.478 12.949 -21.663 1.00 0.00 C ATOM 608 ND1 HIS C 46 7.656 12.334 -22.589 1.00 0.00 N flip ATOM 609 CD2 HIS C 46 8.574 14.150 -22.058 1.00 0.00 C flip ATOM 610 CE1 HIS C 46 7.287 13.222 -23.526 1.00 0.00 C flip ATOM 611 NE2 HIS C 46 7.896 14.328 -23.129 1.00 0.00 N flip ATOM 0 H HIS C 46 8.615 9.817 -20.049 1.00 0.00 H new ATOM 0 HA HIS C 46 8.210 12.357 -18.486 1.00 0.00 H new ATOM 0 HB2 HIS C 46 9.746 13.153 -19.926 1.00 0.00 H new ATOM 0 HB3 HIS C 46 9.863 11.591 -20.713 1.00 0.00 H new ATOM 0 HD2 HIS C 46 9.148 14.917 -21.560 1.00 0.00 H new ATOM 0 HE1 HIS C 46 6.653 13.072 -24.387 1.00 0.00 H new ATOM 0 HE2 HIS C 46 7.832 15.220 -23.620 1.00 0.00 H new ATOM 619 N SER C 47 5.956 12.870 -19.468 1.00 0.00 N ATOM 620 CA SER C 47 4.555 13.032 -19.946 1.00 0.00 C ATOM 621 C SER C 47 4.561 13.391 -21.433 1.00 0.00 C ATOM 622 O SER C 47 5.470 14.032 -21.924 1.00 0.00 O ATOM 623 CB SER C 47 3.868 14.147 -19.155 1.00 0.00 C ATOM 624 OG SER C 47 4.384 14.175 -17.832 1.00 0.00 O ATOM 0 H SER C 47 6.258 13.548 -18.768 1.00 0.00 H new ATOM 0 HA SER C 47 4.013 12.098 -19.799 1.00 0.00 H new ATOM 0 HB2 SER C 47 4.033 15.108 -19.642 1.00 0.00 H new ATOM 0 HB3 SER C 47 2.791 13.982 -19.133 1.00 0.00 H new ATOM 0 HG SER C 47 3.946 14.890 -17.325 1.00 0.00 H new ATOM 630 N LEU C 48 3.553 12.982 -22.155 1.00 0.00 N ATOM 631 CA LEU C 48 3.499 13.299 -23.610 1.00 0.00 C ATOM 632 C LEU C 48 2.641 14.546 -23.831 1.00 0.00 C ATOM 633 O LEU C 48 2.243 14.847 -24.939 1.00 0.00 O ATOM 634 CB LEU C 48 2.884 12.118 -24.364 1.00 0.00 C ATOM 635 CG LEU C 48 3.879 10.956 -24.394 1.00 0.00 C ATOM 636 CD1 LEU C 48 3.179 9.698 -24.912 1.00 0.00 C ATOM 637 CD2 LEU C 48 5.045 11.309 -25.321 1.00 0.00 C ATOM 0 H LEU C 48 2.764 12.442 -21.799 1.00 0.00 H new ATOM 0 HA LEU C 48 4.508 13.483 -23.979 1.00 0.00 H new ATOM 0 HB2 LEU C 48 1.959 11.806 -23.879 1.00 0.00 H new ATOM 0 HB3 LEU C 48 2.627 12.416 -25.380 1.00 0.00 H new ATOM 0 HG LEU C 48 4.256 10.773 -23.388 1.00 0.00 H new ATOM 0 HD11 LEU C 48 3.888 8.870 -24.934 1.00 0.00 H new ATOM 0 HD12 LEU C 48 2.348 9.447 -24.253 1.00 0.00 H new ATOM 0 HD13 LEU C 48 2.802 9.880 -25.919 1.00 0.00 H new ATOM 0 HD21 LEU C 48 5.755 10.482 -25.344 1.00 0.00 H new ATOM 0 HD22 LEU C 48 4.668 11.491 -26.327 1.00 0.00 H new ATOM 0 HD23 LEU C 48 5.544 12.206 -24.953 1.00 0.00 H new ATOM 649 N THR C 49 2.354 15.275 -22.788 1.00 0.00 N ATOM 650 CA THR C 49 1.522 16.501 -22.943 1.00 0.00 C ATOM 651 C THR C 49 2.424 17.736 -22.934 1.00 0.00 C ATOM 652 O THR C 49 2.727 18.303 -23.966 1.00 0.00 O ATOM 653 CB THR C 49 0.523 16.590 -21.787 1.00 0.00 C ATOM 654 OG1 THR C 49 0.594 15.404 -21.008 1.00 0.00 O ATOM 655 CG2 THR C 49 -0.892 16.754 -22.344 1.00 0.00 C ATOM 0 H THR C 49 2.660 15.075 -21.836 1.00 0.00 H new ATOM 0 HA THR C 49 0.981 16.454 -23.888 1.00 0.00 H new ATOM 0 HB THR C 49 0.766 17.449 -21.162 1.00 0.00 H new ATOM 0 HG1 THR C 49 -0.044 15.461 -20.267 1.00 0.00 H new ATOM 0 HG21 THR C 49 -1.602 16.817 -21.520 1.00 0.00 H new ATOM 0 HG22 THR C 49 -0.945 17.665 -22.940 1.00 0.00 H new ATOM 0 HG23 THR C 49 -1.138 15.896 -22.970 1.00 0.00 H new ATOM 663 N THR C 50 2.857 18.158 -21.778 1.00 0.00 N ATOM 664 CA THR C 50 3.740 19.357 -21.706 1.00 0.00 C ATOM 665 C THR C 50 5.201 18.920 -21.808 1.00 0.00 C ATOM 666 O THR C 50 6.091 19.729 -21.981 1.00 0.00 O ATOM 667 CB THR C 50 3.514 20.076 -20.375 1.00 0.00 C ATOM 668 OG1 THR C 50 4.432 21.155 -20.258 1.00 0.00 O ATOM 669 CG2 THR C 50 3.728 19.095 -19.221 1.00 0.00 C ATOM 0 H THR C 50 2.638 17.725 -20.881 1.00 0.00 H new ATOM 0 HA THR C 50 3.505 20.032 -22.529 1.00 0.00 H new ATOM 0 HB THR C 50 2.495 20.461 -20.338 1.00 0.00 H new ATOM 0 HG1 THR C 50 5.191 21.005 -20.859 1.00 0.00 H new ATOM 0 HG21 THR C 50 3.567 19.608 -18.273 1.00 0.00 H new ATOM 0 HG22 THR C 50 3.023 18.268 -19.311 1.00 0.00 H new ATOM 0 HG23 THR C 50 4.747 18.709 -19.256 1.00 0.00 H new ATOM 677 N GLY C 51 5.455 17.645 -21.703 1.00 0.00 N ATOM 678 CA GLY C 51 6.859 17.156 -21.793 1.00 0.00 C ATOM 679 C GLY C 51 7.564 17.384 -20.454 1.00 0.00 C ATOM 680 O GLY C 51 8.355 18.293 -20.305 1.00 0.00 O ATOM 0 H GLY C 51 4.751 16.921 -21.559 1.00 0.00 H new ATOM 0 HA2 GLY C 51 6.871 16.096 -22.047 1.00 0.00 H new ATOM 0 HA3 GLY C 51 7.388 17.680 -22.589 1.00 0.00 H new ATOM 684 N GLN C 52 7.282 16.564 -19.478 1.00 0.00 N ATOM 685 CA GLN C 52 7.935 16.735 -18.149 1.00 0.00 C ATOM 686 C GLN C 52 8.446 15.381 -17.650 1.00 0.00 C ATOM 687 O GLN C 52 8.451 14.402 -18.370 1.00 0.00 O ATOM 688 CB GLN C 52 6.921 17.295 -17.151 1.00 0.00 C ATOM 689 CG GLN C 52 7.212 18.777 -16.902 1.00 0.00 C ATOM 690 CD GLN C 52 6.460 19.240 -15.653 1.00 0.00 C ATOM 691 OE1 GLN C 52 6.715 18.765 -14.565 1.00 0.00 O ATOM 692 NE2 GLN C 52 5.537 20.156 -15.765 1.00 0.00 N ATOM 0 H GLN C 52 6.628 15.784 -19.544 1.00 0.00 H new ATOM 0 HA GLN C 52 8.773 17.426 -18.244 1.00 0.00 H new ATOM 0 HB2 GLN C 52 5.909 17.172 -17.537 1.00 0.00 H new ATOM 0 HB3 GLN C 52 6.974 16.741 -16.214 1.00 0.00 H new ATOM 0 HG2 GLN C 52 8.283 18.932 -16.773 1.00 0.00 H new ATOM 0 HG3 GLN C 52 6.906 19.369 -17.765 1.00 0.00 H new ATOM 0 HE21 GLN C 52 5.323 20.555 -16.679 1.00 0.00 H new ATOM 0 HE22 GLN C 52 5.030 20.473 -14.939 1.00 0.00 H new ATOM 701 N THR C 53 8.878 15.322 -16.421 1.00 0.00 N ATOM 702 CA THR C 53 9.391 14.037 -15.864 1.00 0.00 C ATOM 703 C THR C 53 8.218 13.197 -15.356 1.00 0.00 C ATOM 704 O THR C 53 7.106 13.669 -15.259 1.00 0.00 O ATOM 705 CB THR C 53 10.353 14.339 -14.710 1.00 0.00 C ATOM 706 OG1 THR C 53 11.579 14.827 -15.235 1.00 0.00 O ATOM 707 CG2 THR C 53 10.613 13.067 -13.902 1.00 0.00 C ATOM 0 H THR C 53 8.898 16.111 -15.775 1.00 0.00 H new ATOM 0 HA THR C 53 9.918 13.482 -16.640 1.00 0.00 H new ATOM 0 HB THR C 53 9.908 15.091 -14.058 1.00 0.00 H new ATOM 0 HG1 THR C 53 12.195 15.023 -14.499 1.00 0.00 H new ATOM 0 HG21 THR C 53 11.298 13.289 -13.084 1.00 0.00 H new ATOM 0 HG22 THR C 53 9.672 12.695 -13.497 1.00 0.00 H new ATOM 0 HG23 THR C 53 11.055 12.309 -14.549 1.00 0.00 H new ATOM 715 N GLY C 54 8.451 11.948 -15.052 1.00 0.00 N ATOM 716 CA GLY C 54 7.345 11.088 -14.553 1.00 0.00 C ATOM 717 C GLY C 54 7.921 9.878 -13.811 1.00 0.00 C ATOM 718 O GLY C 54 7.625 8.746 -14.136 1.00 0.00 O ATOM 0 H GLY C 54 9.359 11.489 -15.128 1.00 0.00 H new ATOM 0 HA2 GLY C 54 6.699 11.661 -13.887 1.00 0.00 H new ATOM 0 HA3 GLY C 54 6.727 10.754 -15.387 1.00 0.00 H new ATOM 722 N TYR C 55 8.744 10.103 -12.821 1.00 0.00 N ATOM 723 CA TYR C 55 9.328 8.955 -12.072 1.00 0.00 C ATOM 724 C TYR C 55 8.190 8.015 -11.666 1.00 0.00 C ATOM 725 O TYR C 55 7.564 8.194 -10.643 1.00 0.00 O ATOM 726 CB TYR C 55 10.029 9.480 -10.816 1.00 0.00 C ATOM 727 CG TYR C 55 11.509 9.094 -10.825 1.00 0.00 C ATOM 728 CD1 TYR C 55 12.295 9.323 -11.937 1.00 0.00 C ATOM 729 CD2 TYR C 55 12.086 8.534 -9.703 1.00 0.00 C ATOM 730 CE1 TYR C 55 13.638 8.999 -11.922 1.00 0.00 C ATOM 731 CE2 TYR C 55 13.427 8.209 -9.691 1.00 0.00 C ATOM 732 CZ TYR C 55 14.213 8.440 -10.800 1.00 0.00 C ATOM 733 OH TYR C 55 15.554 8.115 -10.787 1.00 0.00 O ATOM 0 H TYR C 55 9.035 11.027 -12.501 1.00 0.00 H new ATOM 0 HA TYR C 55 10.049 8.423 -12.693 1.00 0.00 H new ATOM 0 HB2 TYR C 55 9.931 10.564 -10.764 1.00 0.00 H new ATOM 0 HB3 TYR C 55 9.547 9.073 -9.927 1.00 0.00 H new ATOM 0 HD1 TYR C 55 11.857 9.758 -12.823 1.00 0.00 H new ATOM 0 HD2 TYR C 55 11.483 8.349 -8.827 1.00 0.00 H new ATOM 0 HE1 TYR C 55 14.243 9.185 -12.797 1.00 0.00 H new ATOM 0 HE2 TYR C 55 13.864 7.770 -8.806 1.00 0.00 H new ATOM 0 HH TYR C 55 15.789 7.733 -9.916 1.00 0.00 H new ATOM 743 N ILE C 56 7.910 7.015 -12.455 1.00 0.00 N ATOM 744 CA ILE C 56 6.807 6.082 -12.091 1.00 0.00 C ATOM 745 C ILE C 56 7.373 4.701 -11.746 1.00 0.00 C ATOM 746 O ILE C 56 8.312 4.245 -12.370 1.00 0.00 O ATOM 747 CB ILE C 56 5.840 5.954 -13.268 1.00 0.00 C ATOM 748 CG1 ILE C 56 6.576 5.367 -14.475 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.295 7.336 -13.627 1.00 0.00 C ATOM 750 CD1 ILE C 56 6.469 3.842 -14.446 1.00 0.00 C ATOM 0 H ILE C 56 8.392 6.804 -13.329 1.00 0.00 H new ATOM 0 HA ILE C 56 6.281 6.477 -11.222 1.00 0.00 H new ATOM 0 HB ILE C 56 5.016 5.296 -12.992 1.00 0.00 H new ATOM 0 HG12 ILE C 56 6.148 5.755 -15.399 1.00 0.00 H new ATOM 0 HG13 ILE C 56 7.623 5.669 -14.458 1.00 0.00 H new ATOM 0 HG21 ILE C 56 4.605 7.248 -14.466 1.00 0.00 H new ATOM 0 HG22 ILE C 56 4.770 7.755 -12.768 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.120 7.992 -13.903 1.00 0.00 H new ATOM 0 HD11 ILE C 56 6.993 3.424 -15.306 1.00 0.00 H new ATOM 0 HD12 ILE C 56 6.918 3.463 -13.528 1.00 0.00 H new ATOM 0 HD13 ILE C 56 5.419 3.550 -14.484 1.00 0.00 H new ATOM 762 N PRO C 57 6.782 4.074 -10.756 1.00 0.00 N ATOM 763 CA PRO C 57 7.210 2.738 -10.305 1.00 0.00 C ATOM 764 C PRO C 57 6.957 1.710 -11.413 1.00 0.00 C ATOM 765 O PRO C 57 6.074 1.875 -12.232 1.00 0.00 O ATOM 766 CB PRO C 57 6.335 2.436 -9.080 1.00 0.00 C ATOM 767 CG PRO C 57 5.346 3.619 -8.905 1.00 0.00 C ATOM 768 CD PRO C 57 5.653 4.651 -10.000 1.00 0.00 C ATOM 0 HA PRO C 57 8.273 2.697 -10.065 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.792 1.501 -9.219 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.952 2.318 -8.189 1.00 0.00 H new ATOM 0 HG2 PRO C 57 4.316 3.271 -8.985 1.00 0.00 H new ATOM 0 HG3 PRO C 57 5.455 4.066 -7.917 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.788 4.814 -10.643 1.00 0.00 H new ATOM 0 HD3 PRO C 57 5.917 5.617 -9.570 1.00 0.00 H new ATOM 776 N SER C 58 7.718 0.652 -11.444 1.00 0.00 N ATOM 777 CA SER C 58 7.515 -0.379 -12.500 1.00 0.00 C ATOM 778 C SER C 58 6.351 -1.294 -12.110 1.00 0.00 C ATOM 779 O SER C 58 5.698 -1.874 -12.954 1.00 0.00 O ATOM 780 CB SER C 58 8.794 -1.206 -12.655 1.00 0.00 C ATOM 781 OG SER C 58 8.611 -2.487 -12.069 1.00 0.00 O ATOM 0 H SER C 58 8.471 0.456 -10.785 1.00 0.00 H new ATOM 0 HA SER C 58 7.283 0.110 -13.446 1.00 0.00 H new ATOM 0 HB2 SER C 58 9.045 -1.311 -13.711 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.630 -0.694 -12.178 1.00 0.00 H new ATOM 0 HG SER C 58 8.826 -2.443 -11.114 1.00 0.00 H new ATOM 787 N ASN C 59 6.082 -1.425 -10.839 1.00 0.00 N ATOM 788 CA ASN C 59 4.961 -2.304 -10.405 1.00 0.00 C ATOM 789 C ASN C 59 3.622 -1.636 -10.727 1.00 0.00 C ATOM 790 O ASN C 59 2.583 -2.266 -10.703 1.00 0.00 O ATOM 791 CB ASN C 59 5.057 -2.548 -8.897 1.00 0.00 C ATOM 792 CG ASN C 59 4.723 -4.010 -8.596 1.00 0.00 C ATOM 793 OD1 ASN C 59 4.775 -4.850 -9.472 1.00 0.00 O ATOM 794 ND2 ASN C 59 4.379 -4.352 -7.385 1.00 0.00 N ATOM 0 H ASN C 59 6.589 -0.962 -10.085 1.00 0.00 H new ATOM 0 HA ASN C 59 5.026 -3.254 -10.935 1.00 0.00 H new ATOM 0 HB2 ASN C 59 6.061 -2.312 -8.543 1.00 0.00 H new ATOM 0 HB3 ASN C 59 4.369 -1.890 -8.367 1.00 0.00 H new ATOM 0 HD21 ASN C 59 4.154 -5.324 -7.174 1.00 0.00 H new ATOM 0 HD22 ASN C 59 4.335 -3.647 -6.649 1.00 0.00 H new ATOM 801 N TYR C 60 3.634 -0.366 -11.029 1.00 0.00 N ATOM 802 CA TYR C 60 2.356 0.333 -11.351 1.00 0.00 C ATOM 803 C TYR C 60 2.303 0.663 -12.845 1.00 0.00 C ATOM 804 O TYR C 60 1.452 1.407 -13.290 1.00 0.00 O ATOM 805 CB TYR C 60 2.268 1.630 -10.540 1.00 0.00 C ATOM 806 CG TYR C 60 1.682 1.340 -9.154 1.00 0.00 C ATOM 807 CD1 TYR C 60 1.647 0.050 -8.660 1.00 0.00 C ATOM 808 CD2 TYR C 60 1.185 2.366 -8.377 1.00 0.00 C ATOM 809 CE1 TYR C 60 1.123 -0.207 -7.410 1.00 0.00 C ATOM 810 CE2 TYR C 60 0.662 2.108 -7.126 1.00 0.00 C ATOM 811 CZ TYR C 60 0.626 0.820 -6.633 1.00 0.00 C ATOM 812 OH TYR C 60 0.103 0.562 -5.383 1.00 0.00 O ATOM 0 H TYR C 60 4.470 0.217 -11.067 1.00 0.00 H new ATOM 0 HA TYR C 60 1.518 -0.317 -11.098 1.00 0.00 H new ATOM 0 HB2 TYR C 60 3.258 2.074 -10.440 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.645 2.355 -11.064 1.00 0.00 H new ATOM 0 HD1 TYR C 60 2.033 -0.763 -9.257 1.00 0.00 H new ATOM 0 HD2 TYR C 60 1.205 3.379 -8.751 1.00 0.00 H new ATOM 0 HE1 TYR C 60 1.101 -1.220 -7.036 1.00 0.00 H new ATOM 0 HE2 TYR C 60 0.278 2.921 -6.528 1.00 0.00 H new ATOM 0 HH TYR C 60 0.573 -0.199 -4.982 1.00 0.00 H new ATOM 822 N VAL C 61 3.197 0.118 -13.626 1.00 0.00 N ATOM 823 CA VAL C 61 3.180 0.414 -15.089 1.00 0.00 C ATOM 824 C VAL C 61 3.371 -0.874 -15.884 1.00 0.00 C ATOM 825 O VAL C 61 3.734 -1.904 -15.351 1.00 0.00 O ATOM 826 CB VAL C 61 4.308 1.389 -15.430 1.00 0.00 C ATOM 827 CG1 VAL C 61 5.640 0.818 -14.941 1.00 0.00 C ATOM 828 CG2 VAL C 61 4.376 1.609 -16.942 1.00 0.00 C ATOM 0 H VAL C 61 3.934 -0.516 -13.317 1.00 0.00 H new ATOM 0 HA VAL C 61 2.219 0.859 -15.348 1.00 0.00 H new ATOM 0 HB VAL C 61 4.112 2.343 -14.940 1.00 0.00 H new ATOM 0 HG11 VAL C 61 6.444 1.512 -15.184 1.00 0.00 H new ATOM 0 HG12 VAL C 61 5.599 0.673 -13.861 1.00 0.00 H new ATOM 0 HG13 VAL C 61 5.827 -0.139 -15.429 1.00 0.00 H new ATOM 0 HG21 VAL C 61 5.183 2.305 -17.173 1.00 0.00 H new ATOM 0 HG22 VAL C 61 4.564 0.658 -17.440 1.00 0.00 H new ATOM 0 HG23 VAL C 61 3.430 2.021 -17.293 1.00 0.00 H new ATOM 838 N ALA C 62 3.128 -0.816 -17.159 1.00 0.00 N ATOM 839 CA ALA C 62 3.290 -2.027 -18.012 1.00 0.00 C ATOM 840 C ALA C 62 3.229 -1.622 -19.488 1.00 0.00 C ATOM 841 O ALA C 62 2.557 -0.674 -19.841 1.00 0.00 O ATOM 842 CB ALA C 62 2.166 -3.020 -17.710 1.00 0.00 C ATOM 0 H ALA C 62 2.822 0.022 -17.653 1.00 0.00 H new ATOM 0 HA ALA C 62 4.252 -2.493 -17.801 1.00 0.00 H new ATOM 0 HB1 ALA C 62 2.285 -3.905 -18.334 1.00 0.00 H new ATOM 0 HB2 ALA C 62 2.208 -3.308 -16.660 1.00 0.00 H new ATOM 0 HB3 ALA C 62 1.203 -2.555 -17.921 1.00 0.00 H new ATOM 848 N PRO C 63 3.937 -2.357 -20.308 1.00 0.00 N ATOM 849 CA PRO C 63 3.982 -2.094 -21.757 1.00 0.00 C ATOM 850 C PRO C 63 2.579 -2.213 -22.357 1.00 0.00 C ATOM 851 O PRO C 63 2.195 -3.248 -22.863 1.00 0.00 O ATOM 852 CB PRO C 63 4.908 -3.176 -22.327 1.00 0.00 C ATOM 853 CG PRO C 63 5.394 -4.052 -21.141 1.00 0.00 C ATOM 854 CD PRO C 63 4.748 -3.503 -19.860 1.00 0.00 C ATOM 0 HA PRO C 63 4.341 -1.091 -21.986 1.00 0.00 H new ATOM 0 HB2 PRO C 63 4.379 -3.784 -23.061 1.00 0.00 H new ATOM 0 HB3 PRO C 63 5.756 -2.723 -22.840 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.113 -5.094 -21.295 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.481 -4.023 -21.064 1.00 0.00 H new ATOM 0 HD2 PRO C 63 4.131 -4.258 -19.373 1.00 0.00 H new ATOM 0 HD3 PRO C 63 5.503 -3.195 -19.137 1.00 0.00 H new ATOM 862 N SER C 64 1.810 -1.159 -22.300 1.00 0.00 N ATOM 863 CA SER C 64 0.432 -1.211 -22.865 1.00 0.00 C ATOM 864 C SER C 64 -0.244 -2.515 -22.441 1.00 0.00 C ATOM 865 O SER C 64 -0.122 -2.873 -21.280 1.00 0.00 O ATOM 866 CB SER C 64 0.504 -1.148 -24.391 1.00 0.00 C ATOM 867 OG SER C 64 1.699 -1.774 -24.835 1.00 0.00 O ATOM 868 OXT SER C 64 -0.871 -3.136 -23.283 1.00 0.00 O ATOM 0 H SER C 64 2.077 -0.265 -21.887 1.00 0.00 H new ATOM 0 HA SER C 64 -0.145 -0.364 -22.493 1.00 0.00 H new ATOM 0 HB2 SER C 64 -0.363 -1.644 -24.827 1.00 0.00 H new ATOM 0 HB3 SER C 64 0.479 -0.111 -24.724 1.00 0.00 H new ATOM 0 HG SER C 64 1.700 -2.713 -24.554 1.00 0.00 H new TER 874 SER C 64 ATOM 875 N ARG R 71 13.790 1.354 -1.939 1.00 0.00 N ATOM 876 CA ARG R 71 12.541 2.110 -2.243 1.00 0.00 C ATOM 877 C ARG R 71 11.347 1.157 -2.180 1.00 0.00 C ATOM 878 O ARG R 71 10.908 0.629 -3.183 1.00 0.00 O ATOM 879 CB ARG R 71 12.640 2.716 -3.645 1.00 0.00 C ATOM 880 CG ARG R 71 11.540 3.764 -3.825 1.00 0.00 C ATOM 881 CD ARG R 71 11.801 4.942 -2.884 1.00 0.00 C ATOM 882 NE ARG R 71 10.981 6.112 -3.308 1.00 0.00 N ATOM 883 CZ ARG R 71 11.363 6.854 -4.313 1.00 0.00 C ATOM 884 NH1 ARG R 71 12.457 6.565 -4.964 1.00 0.00 N ATOM 885 NH2 ARG R 71 10.648 7.885 -4.671 1.00 0.00 N ATOM 0 HA ARG R 71 12.409 2.909 -1.513 1.00 0.00 H new ATOM 0 HB2 ARG R 71 13.619 3.173 -3.787 1.00 0.00 H new ATOM 0 HB3 ARG R 71 12.540 1.935 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG R 71 11.516 4.109 -4.859 1.00 0.00 H new ATOM 0 HG3 ARG R 71 10.565 3.324 -3.613 1.00 0.00 H new ATOM 0 HD2 ARG R 71 11.554 4.664 -1.860 1.00 0.00 H new ATOM 0 HD3 ARG R 71 12.859 5.203 -2.897 1.00 0.00 H new ATOM 0 HE ARG R 71 10.118 6.334 -2.812 1.00 0.00 H new ATOM 0 HH11 ARG R 71 13.016 5.758 -4.688 1.00 0.00 H new ATOM 0 HH12 ARG R 71 12.752 7.146 -5.748 1.00 0.00 H new ATOM 0 HH21 ARG R 71 9.791 8.111 -4.166 1.00 0.00 H new ATOM 0 HH22 ARG R 71 10.946 8.465 -5.456 1.00 0.00 H new ATOM 901 N ALA R 72 10.822 0.930 -1.006 1.00 0.00 N ATOM 902 CA ALA R 72 9.655 0.012 -0.872 1.00 0.00 C ATOM 903 C ALA R 72 8.657 0.283 -2.000 1.00 0.00 C ATOM 904 O ALA R 72 7.974 1.288 -2.010 1.00 0.00 O ATOM 905 CB ALA R 72 8.976 0.249 0.477 1.00 0.00 C ATOM 0 H ALA R 72 11.152 1.341 -0.133 1.00 0.00 H new ATOM 0 HA ALA R 72 9.997 -1.021 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA R 72 8.122 -0.421 0.577 1.00 0.00 H new ATOM 0 HB2 ALA R 72 9.686 0.055 1.281 1.00 0.00 H new ATOM 0 HB3 ALA R 72 8.635 1.283 0.536 1.00 0.00 H new ATOM 911 N LEU R 73 8.570 -0.604 -2.952 1.00 0.00 N ATOM 912 CA LEU R 73 7.618 -0.397 -4.079 1.00 0.00 C ATOM 913 C LEU R 73 6.196 -0.258 -3.526 1.00 0.00 C ATOM 914 O LEU R 73 5.866 -0.854 -2.521 1.00 0.00 O ATOM 915 CB LEU R 73 7.680 -1.596 -5.026 1.00 0.00 C ATOM 916 CG LEU R 73 9.129 -1.833 -5.453 1.00 0.00 C ATOM 917 CD1 LEU R 73 9.194 -3.028 -6.408 1.00 0.00 C ATOM 918 CD2 LEU R 73 9.660 -0.587 -6.161 1.00 0.00 C ATOM 0 H LEU R 73 9.117 -1.464 -2.998 1.00 0.00 H new ATOM 0 HA LEU R 73 7.889 0.509 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU R 73 7.285 -2.484 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU R 73 7.057 -1.414 -5.901 1.00 0.00 H new ATOM 0 HG LEU R 73 9.737 -2.040 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU R 73 10.227 -3.196 -6.711 1.00 0.00 H new ATOM 0 HD12 LEU R 73 8.815 -3.917 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU R 73 8.586 -2.823 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU R 73 10.693 -0.754 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU R 73 9.051 -0.381 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU R 73 9.616 0.264 -5.482 1.00 0.00 H new ATOM 930 N PRO R 74 5.398 0.528 -4.203 1.00 0.00 N ATOM 931 CA PRO R 74 4.001 0.764 -3.800 1.00 0.00 C ATOM 932 C PRO R 74 3.193 -0.538 -3.899 1.00 0.00 C ATOM 933 O PRO R 74 2.934 -1.017 -4.985 1.00 0.00 O ATOM 934 CB PRO R 74 3.474 1.796 -4.801 1.00 0.00 C ATOM 935 CG PRO R 74 4.592 2.058 -5.843 1.00 0.00 C ATOM 936 CD PRO R 74 5.824 1.245 -5.420 1.00 0.00 C ATOM 0 HA PRO R 74 3.920 1.111 -2.770 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.573 1.427 -5.292 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.203 2.720 -4.290 1.00 0.00 H new ATOM 0 HG2 PRO R 74 4.263 1.763 -6.839 1.00 0.00 H new ATOM 0 HG3 PRO R 74 4.832 3.120 -5.888 1.00 0.00 H new ATOM 0 HD2 PRO R 74 6.128 0.550 -6.203 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.677 1.893 -5.220 1.00 0.00 H new ATOM 944 N PRO R 75 2.821 -1.075 -2.763 1.00 0.00 N ATOM 945 CA PRO R 75 2.042 -2.326 -2.706 1.00 0.00 C ATOM 946 C PRO R 75 0.717 -2.162 -3.459 1.00 0.00 C ATOM 947 O PRO R 75 0.272 -1.061 -3.718 1.00 0.00 O ATOM 948 CB PRO R 75 1.791 -2.568 -1.212 1.00 0.00 C ATOM 949 CG PRO R 75 2.504 -1.436 -0.426 1.00 0.00 C ATOM 950 CD PRO R 75 3.140 -0.483 -1.450 1.00 0.00 C ATOM 0 HA PRO R 75 2.566 -3.161 -3.171 1.00 0.00 H new ATOM 0 HB2 PRO R 75 0.722 -2.568 -0.999 1.00 0.00 H new ATOM 0 HB3 PRO R 75 2.176 -3.543 -0.912 1.00 0.00 H new ATOM 0 HG2 PRO R 75 1.793 -0.901 0.203 1.00 0.00 H new ATOM 0 HG3 PRO R 75 3.265 -1.850 0.235 1.00 0.00 H new ATOM 0 HD2 PRO R 75 2.732 0.524 -1.360 1.00 0.00 H new ATOM 0 HD3 PRO R 75 4.217 -0.405 -1.302 1.00 0.00 H new ATOM 958 N LEU R 76 0.085 -3.248 -3.811 1.00 0.00 N ATOM 959 CA LEU R 76 -1.207 -3.156 -4.545 1.00 0.00 C ATOM 960 C LEU R 76 -2.347 -2.897 -3.554 1.00 0.00 C ATOM 961 O LEU R 76 -2.224 -3.192 -2.381 1.00 0.00 O ATOM 962 CB LEU R 76 -1.471 -4.472 -5.284 1.00 0.00 C ATOM 963 CG LEU R 76 -0.453 -4.635 -6.416 1.00 0.00 C ATOM 964 CD1 LEU R 76 -0.561 -6.047 -6.996 1.00 0.00 C ATOM 965 CD2 LEU R 76 -0.741 -3.610 -7.514 1.00 0.00 C ATOM 0 H LEU R 76 0.409 -4.196 -3.621 1.00 0.00 H new ATOM 0 HA LEU R 76 -1.154 -2.336 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU R 76 -1.399 -5.311 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -2.484 -4.478 -5.687 1.00 0.00 H new ATOM 0 HG LEU R 76 0.553 -4.476 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU R 76 0.163 -6.166 -7.802 1.00 0.00 H new ATOM 0 HD12 LEU R 76 -0.356 -6.778 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU R 76 -1.567 -6.204 -7.385 1.00 0.00 H new ATOM 0 HD21 LEU R 76 -0.016 -3.726 -8.320 1.00 0.00 H new ATOM 0 HD22 LEU R 76 -1.746 -3.768 -7.905 1.00 0.00 H new ATOM 0 HD23 LEU R 76 -0.666 -2.604 -7.101 1.00 0.00 H new ATOM 977 N PRO R 77 -3.423 -2.350 -4.058 1.00 0.00 N ATOM 978 CA PRO R 77 -4.605 -2.038 -3.236 1.00 0.00 C ATOM 979 C PRO R 77 -5.157 -3.316 -2.600 1.00 0.00 C ATOM 980 O PRO R 77 -4.997 -4.400 -3.125 1.00 0.00 O ATOM 981 CB PRO R 77 -5.621 -1.441 -4.219 1.00 0.00 C ATOM 982 CG PRO R 77 -4.961 -1.411 -5.622 1.00 0.00 C ATOM 983 CD PRO R 77 -3.548 -2.000 -5.485 1.00 0.00 C ATOM 0 HA PRO R 77 -4.375 -1.353 -2.420 1.00 0.00 H new ATOM 0 HB2 PRO R 77 -6.532 -2.040 -4.238 1.00 0.00 H new ATOM 0 HB3 PRO R 77 -5.907 -0.436 -3.910 1.00 0.00 H new ATOM 0 HG2 PRO R 77 -5.549 -1.990 -6.334 1.00 0.00 H new ATOM 0 HG3 PRO R 77 -4.915 -0.390 -6.002 1.00 0.00 H new ATOM 0 HD2 PRO R 77 -3.422 -2.877 -6.120 1.00 0.00 H new ATOM 0 HD3 PRO R 77 -2.788 -1.278 -5.783 1.00 0.00 H new ATOM 991 N ARG R 78 -5.804 -3.198 -1.472 1.00 0.00 N ATOM 992 CA ARG R 78 -6.364 -4.410 -0.808 1.00 0.00 C ATOM 993 C ARG R 78 -7.043 -5.298 -1.852 1.00 0.00 C ATOM 994 O ARG R 78 -7.280 -4.885 -2.970 1.00 0.00 O ATOM 995 CB ARG R 78 -7.385 -4.000 0.252 1.00 0.00 C ATOM 996 CG ARG R 78 -8.166 -2.782 -0.232 1.00 0.00 C ATOM 997 CD ARG R 78 -8.715 -3.048 -1.635 1.00 0.00 C ATOM 998 NE ARG R 78 -9.873 -2.146 -1.892 1.00 0.00 N ATOM 999 CZ ARG R 78 -10.659 -2.361 -2.914 1.00 0.00 C ATOM 1000 NH1 ARG R 78 -10.434 -3.367 -3.716 1.00 0.00 N ATOM 1001 NH2 ARG R 78 -11.672 -1.568 -3.134 1.00 0.00 N ATOM 0 H ARG R 78 -5.969 -2.318 -0.983 1.00 0.00 H new ATOM 0 HA ARG R 78 -5.554 -4.961 -0.330 1.00 0.00 H new ATOM 0 HB2 ARG R 78 -8.068 -4.826 0.452 1.00 0.00 H new ATOM 0 HB3 ARG R 78 -6.878 -3.771 1.189 1.00 0.00 H new ATOM 0 HG2 ARG R 78 -8.984 -2.566 0.455 1.00 0.00 H new ATOM 0 HG3 ARG R 78 -7.520 -1.904 -0.244 1.00 0.00 H new ATOM 0 HD2 ARG R 78 -7.937 -2.880 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG R 78 -9.024 -4.089 -1.725 1.00 0.00 H new ATOM 0 HE ARG R 78 -10.053 -1.359 -1.269 1.00 0.00 H new ATOM 0 HH11 ARG R 78 -9.643 -3.988 -3.546 1.00 0.00 H new ATOM 0 HH12 ARG R 78 -11.049 -3.532 -4.513 1.00 0.00 H new ATOM 0 HH21 ARG R 78 -11.849 -0.782 -2.509 1.00 0.00 H new ATOM 0 HH22 ARG R 78 -12.286 -1.734 -3.931 1.00 0.00 H new ATOM 1015 N TYR R 79 -7.360 -6.513 -1.497 1.00 0.00 N ATOM 1016 CA TYR R 79 -8.025 -7.422 -2.473 1.00 0.00 C ATOM 1017 C TYR R 79 -9.406 -7.812 -1.945 1.00 0.00 C ATOM 1018 O TYR R 79 -10.347 -7.081 -2.210 1.00 0.00 O ATOM 1019 CB TYR R 79 -7.178 -8.684 -2.665 1.00 0.00 C ATOM 1020 CG TYR R 79 -6.423 -9.003 -1.372 1.00 0.00 C ATOM 1021 CD1 TYR R 79 -7.012 -9.770 -0.387 1.00 0.00 C ATOM 1022 CD2 TYR R 79 -5.140 -8.535 -1.176 1.00 0.00 C ATOM 1023 CE1 TYR R 79 -6.328 -10.064 0.776 1.00 0.00 C ATOM 1024 CE2 TYR R 79 -4.456 -8.828 -0.014 1.00 0.00 C ATOM 1025 CZ TYR R 79 -5.045 -9.595 0.971 1.00 0.00 C ATOM 1026 OH TYR R 79 -4.360 -9.889 2.133 1.00 0.00 O ATOM 1027 OXT TYR R 79 -9.502 -8.834 -1.286 1.00 0.00 O ATOM 0 H TYR R 79 -7.188 -6.915 -0.575 1.00 0.00 H new ATOM 0 HA TYR R 79 -8.130 -6.909 -3.429 1.00 0.00 H new ATOM 0 HB2 TYR R 79 -7.817 -9.523 -2.941 1.00 0.00 H new ATOM 0 HB3 TYR R 79 -6.472 -8.538 -3.483 1.00 0.00 H new ATOM 0 HD1 TYR R 79 -8.016 -10.143 -0.527 1.00 0.00 H new ATOM 0 HD2 TYR R 79 -4.667 -7.934 -1.939 1.00 0.00 H new ATOM 0 HE1 TYR R 79 -6.801 -10.665 1.538 1.00 0.00 H new ATOM 0 HE2 TYR R 79 -3.452 -8.454 0.126 1.00 0.00 H new ATOM 0 HH TYR R 79 -3.470 -9.479 2.101 1.00 0.00 H new TER 1037 TYR R 79