USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -174:sc= -1.23 (180deg=-1.41) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.038 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.87 X(o=-0.87,f=-0.68) USER MOD Single : A 9 SER OG : rot 97:sc= 1.21 USER MOD Single : A 20 THR OG1 : rot -38:sc= -0.727 USER MOD Single : A 22 MET CE :methyl -101:sc= -0.171 (180deg=-1.08) USER MOD Single : A 23 CYS SG : rot -21:sc= -1.21 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 33 SER OG : rot 67:sc= 1.15 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0507 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 151:sc= -0.226 (180deg=-1.12) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.712 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -116:sc= 1.03 USER MOD Single : A 59 THR OG1 : rot -140:sc= -0.184 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 153:sc= 0.268 USER MOD Single : A 75 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.46) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.608 7.559 -6.531 1.00 0.00 N ATOM 2 CA MET A 1 -4.774 6.267 -5.817 1.00 0.00 C ATOM 3 C MET A 1 -4.831 6.474 -4.307 1.00 0.00 C ATOM 4 O MET A 1 -4.520 7.554 -3.807 1.00 0.00 O ATOM 5 CB MET A 1 -3.601 5.354 -6.178 1.00 0.00 C ATOM 6 CG MET A 1 -3.981 3.885 -6.277 1.00 0.00 C ATOM 7 SD MET A 1 -4.125 3.316 -7.983 1.00 0.00 S ATOM 8 CE MET A 1 -5.345 4.462 -8.619 1.00 0.00 C ATOM 0 H1 MET A 1 -5.211 7.567 -7.378 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.883 8.341 -5.903 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.614 7.675 -6.813 1.00 0.00 H new ATOM 0 HA MET A 1 -5.715 5.810 -6.123 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.180 5.677 -7.130 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.818 5.468 -5.428 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.232 3.285 -5.760 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.929 3.724 -5.763 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.621 4.174 -9.633 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.230 4.442 -7.983 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.928 5.469 -8.629 1.00 0.00 H new ATOM 20 N ARG A 2 -5.228 5.431 -3.587 1.00 0.00 N ATOM 21 CA ARG A 2 -5.325 5.494 -2.133 1.00 0.00 C ATOM 22 C ARG A 2 -4.666 4.277 -1.493 1.00 0.00 C ATOM 23 O ARG A 2 -4.561 3.220 -2.114 1.00 0.00 O ATOM 24 CB ARG A 2 -6.790 5.585 -1.702 1.00 0.00 C ATOM 25 CG ARG A 2 -7.542 6.743 -2.341 1.00 0.00 C ATOM 26 CD ARG A 2 -8.782 6.270 -3.083 1.00 0.00 C ATOM 27 NE ARG A 2 -10.010 6.585 -2.355 1.00 0.00 N ATOM 28 CZ ARG A 2 -11.219 6.599 -2.912 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.367 6.315 -4.201 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.283 6.896 -2.179 1.00 0.00 N ATOM 0 H ARG A 2 -5.488 4.530 -3.987 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.800 6.388 -1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.293 4.652 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.835 5.687 -0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.830 7.458 -1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.882 7.267 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.815 6.736 -4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.721 5.193 -3.242 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.936 6.807 -1.362 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.552 6.085 -4.769 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.296 6.327 -4.623 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.175 7.114 -1.188 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.209 6.907 -2.606 1.00 0.00 H new ATOM 44 N ILE A 3 -4.222 4.433 -0.250 1.00 0.00 N ATOM 45 CA ILE A 3 -3.570 3.347 0.477 1.00 0.00 C ATOM 46 C ILE A 3 -4.403 2.068 0.448 1.00 0.00 C ATOM 47 O ILE A 3 -3.870 0.968 0.585 1.00 0.00 O ATOM 48 CB ILE A 3 -3.294 3.745 1.940 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.461 2.661 2.638 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.599 4.007 2.682 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.276 1.510 3.197 1.00 0.00 C ATOM 0 H ILE A 3 -4.302 5.303 0.277 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.623 3.156 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.718 4.671 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.734 2.265 1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.897 3.120 3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.382 4.286 3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.139 4.817 2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.211 3.105 2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.610 0.790 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.985 1.890 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.819 1.022 2.388 1.00 0.00 H new ATOM 63 N ASP A 4 -5.712 2.218 0.272 1.00 0.00 N ATOM 64 CA ASP A 4 -6.607 1.069 0.230 1.00 0.00 C ATOM 65 C ASP A 4 -6.442 0.284 -1.069 1.00 0.00 C ATOM 66 O ASP A 4 -6.202 -0.919 -1.045 1.00 0.00 O ATOM 67 CB ASP A 4 -8.063 1.515 0.393 1.00 0.00 C ATOM 68 CG ASP A 4 -8.415 2.695 -0.491 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.166 3.845 -0.075 1.00 0.00 O ATOM 70 OD2 ASP A 4 -8.942 2.468 -1.602 1.00 0.00 O ATOM 0 H ASP A 4 -6.174 3.120 0.157 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.342 0.413 1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.723 0.680 0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.243 1.780 1.435 1.00 0.00 H new ATOM 75 N LYS A 5 -6.583 0.964 -2.201 1.00 0.00 N ATOM 76 CA LYS A 5 -6.457 0.316 -3.505 1.00 0.00 C ATOM 77 C LYS A 5 -5.020 0.354 -4.032 1.00 0.00 C ATOM 78 O LYS A 5 -4.729 -0.205 -5.090 1.00 0.00 O ATOM 79 CB LYS A 5 -7.399 0.981 -4.513 1.00 0.00 C ATOM 80 CG LYS A 5 -8.520 0.071 -4.988 1.00 0.00 C ATOM 81 CD LYS A 5 -9.721 0.136 -4.059 1.00 0.00 C ATOM 82 CE LYS A 5 -10.369 -1.228 -3.890 1.00 0.00 C ATOM 83 NZ LYS A 5 -11.441 -1.464 -4.896 1.00 0.00 N ATOM 0 H LYS A 5 -6.784 1.963 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.732 -0.731 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.833 1.872 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.820 1.312 -5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.822 0.359 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.158 -0.955 -5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.409 0.515 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.452 0.840 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.609 -2.004 -3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.789 -1.308 -2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.857 -2.405 -4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.179 -0.739 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.037 -1.413 -5.853 1.00 0.00 H new ATOM 97 N PHE A 6 -4.128 1.030 -3.311 1.00 0.00 N ATOM 98 CA PHE A 6 -2.737 1.150 -3.739 1.00 0.00 C ATOM 99 C PHE A 6 -1.929 -0.116 -3.462 1.00 0.00 C ATOM 100 O PHE A 6 -1.516 -0.812 -4.390 1.00 0.00 O ATOM 101 CB PHE A 6 -2.074 2.344 -3.050 1.00 0.00 C ATOM 102 CG PHE A 6 -0.663 2.587 -3.504 1.00 0.00 C ATOM 103 CD1 PHE A 6 -0.402 3.406 -4.590 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.402 1.992 -2.847 1.00 0.00 C ATOM 105 CE1 PHE A 6 0.895 3.629 -5.013 1.00 0.00 C ATOM 106 CE2 PHE A 6 1.701 2.210 -3.264 1.00 0.00 C ATOM 107 CZ PHE A 6 1.947 3.030 -4.349 1.00 0.00 C ATOM 0 H PHE A 6 -4.343 1.501 -2.432 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.749 1.302 -4.818 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.668 3.238 -3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.078 2.180 -1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.222 3.876 -5.113 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.214 1.350 -1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.085 4.270 -5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.522 1.741 -2.743 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.961 3.202 -4.677 1.00 0.00 H new ATOM 117 N LEU A 7 -1.685 -0.399 -2.186 1.00 0.00 N ATOM 118 CA LEU A 7 -0.901 -1.569 -1.801 1.00 0.00 C ATOM 119 C LEU A 7 -1.712 -2.856 -1.906 1.00 0.00 C ATOM 120 O LEU A 7 -1.157 -3.953 -1.861 1.00 0.00 O ATOM 121 CB LEU A 7 -0.366 -1.401 -0.378 1.00 0.00 C ATOM 122 CG LEU A 7 -1.432 -1.239 0.708 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.014 -2.591 1.090 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.841 -0.548 1.927 1.00 0.00 C ATOM 0 H LEU A 7 -2.017 0.164 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.065 -1.647 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.248 -2.268 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.288 -0.530 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.238 -0.619 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.770 -2.456 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.469 -3.052 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.220 -3.235 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.610 -0.439 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.019 -1.146 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.470 0.437 1.643 1.00 0.00 H new ATOM 136 N GLN A 8 -3.023 -2.720 -2.044 1.00 0.00 N ATOM 137 CA GLN A 8 -3.898 -3.878 -2.151 1.00 0.00 C ATOM 138 C GLN A 8 -4.084 -4.303 -3.607 1.00 0.00 C ATOM 139 O GLN A 8 -4.521 -5.419 -3.884 1.00 0.00 O ATOM 140 CB GLN A 8 -5.249 -3.563 -1.516 1.00 0.00 C ATOM 141 CG GLN A 8 -5.148 -3.184 -0.047 1.00 0.00 C ATOM 142 CD GLN A 8 -6.480 -3.267 0.673 1.00 0.00 C ATOM 143 OE1 GLN A 8 -6.552 -3.709 1.819 1.00 0.00 O ATOM 144 NE2 GLN A 8 -7.545 -2.842 0.002 1.00 0.00 N ATOM 0 H GLN A 8 -3.503 -1.821 -2.084 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.432 -4.708 -1.620 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.719 -2.746 -2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.901 -4.430 -1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.432 -3.842 0.445 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.758 -2.170 0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.440 -2.483 -0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.468 -2.875 0.436 1.00 0.00 H new ATOM 153 N SER A 9 -3.750 -3.409 -4.536 1.00 0.00 N ATOM 154 CA SER A 9 -3.883 -3.703 -5.958 1.00 0.00 C ATOM 155 C SER A 9 -2.544 -4.122 -6.559 1.00 0.00 C ATOM 156 O SER A 9 -2.474 -5.071 -7.340 1.00 0.00 O ATOM 157 CB SER A 9 -4.428 -2.484 -6.704 1.00 0.00 C ATOM 158 OG SER A 9 -5.737 -2.162 -6.268 1.00 0.00 O ATOM 0 H SER A 9 -3.387 -2.479 -4.329 1.00 0.00 H new ATOM 0 HA SER A 9 -4.583 -4.531 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.768 -1.631 -6.544 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.437 -2.684 -7.776 1.00 0.00 H new ATOM 0 HG SER A 9 -5.692 -1.454 -5.591 1.00 0.00 H new ATOM 164 N VAL A 10 -1.484 -3.407 -6.191 1.00 0.00 N ATOM 165 CA VAL A 10 -0.148 -3.703 -6.697 1.00 0.00 C ATOM 166 C VAL A 10 0.217 -5.170 -6.488 1.00 0.00 C ATOM 167 O VAL A 10 0.694 -5.837 -7.404 1.00 0.00 O ATOM 168 CB VAL A 10 0.921 -2.823 -6.020 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.813 -1.383 -6.502 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.797 -2.895 -4.505 1.00 0.00 C ATOM 0 H VAL A 10 -1.525 -2.619 -5.545 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.168 -3.486 -7.765 1.00 0.00 H new ATOM 0 HB VAL A 10 1.904 -3.204 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.576 -0.777 -6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.960 -1.349 -7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.174 -0.990 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.561 -2.267 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.190 -2.544 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.931 -3.926 -4.178 1.00 0.00 H new ATOM 180 N GLY A 11 -0.013 -5.667 -5.277 1.00 0.00 N ATOM 181 CA GLY A 11 0.298 -7.051 -4.972 1.00 0.00 C ATOM 182 C GLY A 11 1.011 -7.208 -3.644 1.00 0.00 C ATOM 183 O GLY A 11 2.125 -7.727 -3.586 1.00 0.00 O ATOM 0 H GLY A 11 -0.409 -5.136 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.624 -7.632 -4.956 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.921 -7.463 -5.766 1.00 0.00 H new ATOM 187 N LEU A 12 0.364 -6.760 -2.573 1.00 0.00 N ATOM 188 CA LEU A 12 0.939 -6.854 -1.236 1.00 0.00 C ATOM 189 C LEU A 12 -0.011 -7.591 -0.297 1.00 0.00 C ATOM 190 O LEU A 12 0.415 -8.411 0.516 1.00 0.00 O ATOM 191 CB LEU A 12 1.242 -5.455 -0.690 1.00 0.00 C ATOM 192 CG LEU A 12 2.726 -5.154 -0.472 1.00 0.00 C ATOM 193 CD1 LEU A 12 2.918 -3.704 -0.053 1.00 0.00 C ATOM 194 CD2 LEU A 12 3.313 -6.095 0.570 1.00 0.00 C ATOM 0 H LEU A 12 -0.559 -6.328 -2.605 1.00 0.00 H new ATOM 0 HA LEU A 12 1.871 -7.416 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.834 -4.716 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.718 -5.330 0.258 1.00 0.00 H new ATOM 0 HG LEU A 12 3.253 -5.313 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.979 -3.506 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.534 -3.046 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.379 -3.519 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.369 -5.867 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.784 -5.968 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.207 -7.125 0.231 1.00 0.00 H new ATOM 206 N VAL A 13 -1.300 -7.295 -0.422 1.00 0.00 N ATOM 207 CA VAL A 13 -2.315 -7.928 0.408 1.00 0.00 C ATOM 208 C VAL A 13 -3.620 -8.098 -0.365 1.00 0.00 C ATOM 209 O VAL A 13 -4.052 -7.194 -1.080 1.00 0.00 O ATOM 210 CB VAL A 13 -2.584 -7.110 1.687 1.00 0.00 C ATOM 211 CG1 VAL A 13 -3.071 -5.713 1.338 1.00 0.00 C ATOM 212 CG2 VAL A 13 -3.587 -7.827 2.577 1.00 0.00 C ATOM 0 H VAL A 13 -1.666 -6.619 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.933 -8.909 0.692 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.648 -7.014 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.255 -5.152 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.313 -5.201 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.995 -5.783 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.765 -7.235 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.525 -7.957 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.191 -8.803 2.858 1.00 0.00 H new ATOM 337 N THR A 20 -12.959 -2.481 4.007 1.00 0.00 N ATOM 338 CA THR A 20 -11.528 -2.660 4.226 1.00 0.00 C ATOM 339 C THR A 20 -11.261 -3.295 5.586 1.00 0.00 C ATOM 340 O THR A 20 -12.187 -3.537 6.360 1.00 0.00 O ATOM 341 CB THR A 20 -10.804 -1.316 4.123 1.00 0.00 C ATOM 342 OG1 THR A 20 -11.313 -0.399 5.075 1.00 0.00 O ATOM 343 CG2 THR A 20 -10.921 -0.675 2.757 1.00 0.00 C ATOM 0 HA THR A 20 -11.147 -3.329 3.454 1.00 0.00 H new ATOM 0 HB THR A 20 -9.754 -1.538 4.311 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.282 -0.518 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.385 0.274 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.490 -1.337 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.972 -0.500 2.526 1.00 0.00 H new ATOM 351 N ASP A 21 -9.990 -3.563 5.870 1.00 0.00 N ATOM 352 CA ASP A 21 -9.604 -4.173 7.139 1.00 0.00 C ATOM 353 C ASP A 21 -8.436 -3.424 7.777 1.00 0.00 C ATOM 354 O ASP A 21 -8.426 -3.185 8.985 1.00 0.00 O ATOM 355 CB ASP A 21 -9.230 -5.643 6.928 1.00 0.00 C ATOM 356 CG ASP A 21 -10.312 -6.589 7.412 1.00 0.00 C ATOM 357 OD1 ASP A 21 -10.982 -6.262 8.415 1.00 0.00 O ATOM 358 OD2 ASP A 21 -10.489 -7.657 6.790 1.00 0.00 O ATOM 0 H ASP A 21 -9.211 -3.368 5.241 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.458 -4.114 7.814 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.044 -5.819 5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.300 -5.858 7.455 1.00 0.00 H new ATOM 363 N MET A 22 -7.453 -3.057 6.958 1.00 0.00 N ATOM 364 CA MET A 22 -6.277 -2.336 7.443 1.00 0.00 C ATOM 365 C MET A 22 -6.678 -1.139 8.303 1.00 0.00 C ATOM 366 O MET A 22 -6.149 -0.943 9.396 1.00 0.00 O ATOM 367 CB MET A 22 -5.420 -1.868 6.266 1.00 0.00 C ATOM 368 CG MET A 22 -4.320 -2.847 5.887 1.00 0.00 C ATOM 369 SD MET A 22 -4.952 -4.497 5.529 1.00 0.00 S ATOM 370 CE MET A 22 -4.236 -5.433 6.879 1.00 0.00 C ATOM 0 H MET A 22 -7.447 -3.247 5.956 1.00 0.00 H new ATOM 0 HA MET A 22 -5.696 -3.021 8.061 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.063 -1.705 5.401 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.970 -0.907 6.515 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.787 -2.469 5.014 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.597 -2.908 6.700 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.361 -5.976 6.522 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.940 -4.752 7.677 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.971 -6.141 7.261 1.00 0.00 H new ATOM 380 N CYS A 23 -7.616 -0.343 7.800 1.00 0.00 N ATOM 381 CA CYS A 23 -8.087 0.832 8.524 1.00 0.00 C ATOM 382 C CYS A 23 -8.716 0.439 9.861 1.00 0.00 C ATOM 383 O CYS A 23 -8.847 1.269 10.761 1.00 0.00 O ATOM 384 CB CYS A 23 -9.101 1.604 7.674 1.00 0.00 C ATOM 385 SG CYS A 23 -9.837 3.031 8.508 1.00 0.00 S ATOM 0 H CYS A 23 -8.064 -0.490 6.896 1.00 0.00 H new ATOM 0 HA CYS A 23 -7.228 1.472 8.726 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.609 1.944 6.763 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.897 0.924 7.372 1.00 0.00 H new ATOM 0 HG CYS A 23 -9.711 2.894 9.795 1.00 0.00 H new ATOM 391 N ASN A 24 -9.104 -0.827 9.985 1.00 0.00 N ATOM 392 CA ASN A 24 -9.718 -1.320 11.214 1.00 0.00 C ATOM 393 C ASN A 24 -8.673 -1.938 12.137 1.00 0.00 C ATOM 394 O ASN A 24 -8.619 -1.627 13.327 1.00 0.00 O ATOM 395 CB ASN A 24 -10.805 -2.348 10.889 1.00 0.00 C ATOM 396 CG ASN A 24 -12.202 -1.781 11.048 1.00 0.00 C ATOM 397 OD1 ASN A 24 -12.509 -0.704 10.538 1.00 0.00 O ATOM 398 ND2 ASN A 24 -13.058 -2.506 11.760 1.00 0.00 N ATOM 0 H ASN A 24 -9.005 -1.529 9.251 1.00 0.00 H new ATOM 0 HA ASN A 24 -10.172 -0.473 11.729 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.673 -2.701 9.866 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.690 -3.213 11.542 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -14.012 -2.175 11.902 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -12.761 -3.394 12.165 1.00 0.00 H new ATOM 405 N VAL A 25 -7.845 -2.818 11.582 1.00 0.00 N ATOM 406 CA VAL A 25 -6.802 -3.480 12.357 1.00 0.00 C ATOM 407 C VAL A 25 -5.763 -2.480 12.853 1.00 0.00 C ATOM 408 O VAL A 25 -5.140 -2.682 13.896 1.00 0.00 O ATOM 409 CB VAL A 25 -6.097 -4.574 11.531 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.093 -5.634 11.087 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.385 -3.967 10.331 1.00 0.00 C ATOM 0 H VAL A 25 -7.876 -3.089 10.599 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.291 -3.942 13.214 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.349 -5.052 12.163 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.577 -6.398 10.505 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.551 -6.093 11.963 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.867 -5.172 10.474 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.894 -4.756 9.762 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.111 -3.459 9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.639 -3.250 10.675 1.00 0.00 H new ATOM 421 N GLY A 26 -5.579 -1.401 12.098 1.00 0.00 N ATOM 422 CA GLY A 26 -4.613 -0.388 12.477 1.00 0.00 C ATOM 423 C GLY A 26 -3.296 -0.543 11.743 1.00 0.00 C ATOM 424 O GLY A 26 -2.235 -0.619 12.364 1.00 0.00 O ATOM 0 H GLY A 26 -6.082 -1.211 11.231 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.026 0.599 12.272 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.436 -0.442 13.551 1.00 0.00 H new ATOM 428 N ALA A 27 -3.363 -0.593 10.416 1.00 0.00 N ATOM 429 CA ALA A 27 -2.169 -0.745 9.594 1.00 0.00 C ATOM 430 C ALA A 27 -1.961 0.467 8.693 1.00 0.00 C ATOM 431 O ALA A 27 -0.829 0.882 8.446 1.00 0.00 O ATOM 432 CB ALA A 27 -2.264 -2.013 8.760 1.00 0.00 C ATOM 0 H ALA A 27 -4.233 -0.530 9.887 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.308 -0.821 10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.366 -2.116 8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.355 -2.876 9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.139 -1.957 8.112 1.00 0.00 H new ATOM 438 N VAL A 28 -3.060 1.029 8.200 1.00 0.00 N ATOM 439 CA VAL A 28 -3.000 2.186 7.327 1.00 0.00 C ATOM 440 C VAL A 28 -2.302 3.359 8.009 1.00 0.00 C ATOM 441 O VAL A 28 -2.846 3.972 8.928 1.00 0.00 O ATOM 442 CB VAL A 28 -4.411 2.617 6.891 1.00 0.00 C ATOM 443 CG1 VAL A 28 -5.078 1.522 6.072 1.00 0.00 C ATOM 444 CG2 VAL A 28 -5.262 2.983 8.098 1.00 0.00 C ATOM 0 H VAL A 28 -4.005 0.697 8.394 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.424 1.897 6.448 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.317 3.503 6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.075 1.847 5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.481 1.318 5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.156 0.615 6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.255 3.285 7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.347 2.120 8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.794 3.807 8.637 1.00 0.00 H new ATOM 454 N TRP A 29 -1.093 3.665 7.552 1.00 0.00 N ATOM 455 CA TRP A 29 -0.317 4.763 8.113 1.00 0.00 C ATOM 456 C TRP A 29 0.431 5.509 7.015 1.00 0.00 C ATOM 457 O TRP A 29 1.437 5.026 6.494 1.00 0.00 O ATOM 458 CB TRP A 29 0.672 4.239 9.153 1.00 0.00 C ATOM 459 CG TRP A 29 0.059 4.021 10.503 1.00 0.00 C ATOM 460 CD1 TRP A 29 -0.914 3.120 10.827 1.00 0.00 C ATOM 461 CD2 TRP A 29 0.380 4.718 11.713 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.218 3.213 12.163 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.438 4.187 12.729 1.00 0.00 C ATOM 464 CE3 TRP A 29 1.279 5.738 12.035 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -0.382 4.642 14.043 1.00 0.00 C ATOM 466 CZ3 TRP A 29 1.333 6.190 13.341 1.00 0.00 C ATOM 467 CH2 TRP A 29 0.507 5.642 14.331 1.00 0.00 C ATOM 0 H TRP A 29 -0.629 3.166 6.793 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.007 5.454 8.597 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.096 3.299 8.799 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.497 4.945 9.247 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.377 2.434 10.134 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -1.912 2.649 12.654 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.920 6.166 11.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.017 4.221 14.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.023 6.978 13.602 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.573 6.016 15.342 1.00 0.00 H new ATOM 478 N LEU A 30 -0.070 6.687 6.665 1.00 0.00 N ATOM 479 CA LEU A 30 0.545 7.504 5.626 1.00 0.00 C ATOM 480 C LEU A 30 1.439 8.579 6.235 1.00 0.00 C ATOM 481 O LEU A 30 0.990 9.384 7.051 1.00 0.00 O ATOM 482 CB LEU A 30 -0.535 8.150 4.755 1.00 0.00 C ATOM 483 CG LEU A 30 -0.259 8.115 3.251 1.00 0.00 C ATOM 484 CD1 LEU A 30 -0.331 6.688 2.729 1.00 0.00 C ATOM 485 CD2 LEU A 30 -1.244 9.007 2.509 1.00 0.00 C ATOM 0 H LEU A 30 -0.903 7.099 7.086 1.00 0.00 H new ATOM 0 HA LEU A 30 1.164 6.856 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.483 7.648 4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.656 9.189 5.063 1.00 0.00 H new ATOM 0 HG LEU A 30 0.748 8.494 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.132 6.682 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.413 6.076 3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.325 6.282 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.034 8.971 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.260 8.657 2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.144 10.033 2.864 1.00 0.00 H new ATOM 497 N ASN A 31 2.705 8.588 5.832 1.00 0.00 N ATOM 498 CA ASN A 31 3.663 9.566 6.336 1.00 0.00 C ATOM 499 C ASN A 31 3.827 9.441 7.848 1.00 0.00 C ATOM 500 O ASN A 31 4.101 10.425 8.536 1.00 0.00 O ATOM 501 CB ASN A 31 3.215 10.983 5.975 1.00 0.00 C ATOM 502 CG ASN A 31 4.374 11.864 5.548 1.00 0.00 C ATOM 503 OD1 ASN A 31 5.126 12.367 6.382 1.00 0.00 O ATOM 504 ND2 ASN A 31 4.523 12.054 4.243 1.00 0.00 N ATOM 0 H ASN A 31 3.092 7.928 5.157 1.00 0.00 H new ATOM 0 HA ASN A 31 4.627 9.367 5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.482 10.935 5.170 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.717 11.433 6.833 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.285 12.637 3.896 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.876 11.617 3.587 1.00 0.00 H new ATOM 511 N GLY A 32 3.659 8.225 8.360 1.00 0.00 N ATOM 512 CA GLY A 32 3.794 7.996 9.786 1.00 0.00 C ATOM 513 C GLY A 32 2.586 8.472 10.570 1.00 0.00 C ATOM 514 O GLY A 32 2.701 8.831 11.741 1.00 0.00 O ATOM 0 H GLY A 32 3.432 7.395 7.812 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.943 6.932 9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.684 8.509 10.150 1.00 0.00 H new ATOM 518 N SER A 33 1.426 8.473 9.922 1.00 0.00 N ATOM 519 CA SER A 33 0.192 8.906 10.567 1.00 0.00 C ATOM 520 C SER A 33 -0.975 8.010 10.165 1.00 0.00 C ATOM 521 O SER A 33 -1.119 7.648 8.997 1.00 0.00 O ATOM 522 CB SER A 33 -0.116 10.362 10.206 1.00 0.00 C ATOM 523 OG SER A 33 0.627 10.775 9.072 1.00 0.00 O ATOM 0 H SER A 33 1.315 8.179 8.952 1.00 0.00 H new ATOM 0 HA SER A 33 0.329 8.830 11.646 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.182 10.473 10.006 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.118 11.007 11.053 1.00 0.00 H new ATOM 0 HG SER A 33 0.323 10.279 8.283 1.00 0.00 H new ATOM 529 N CYS A 34 -1.806 7.654 11.140 1.00 0.00 N ATOM 530 CA CYS A 34 -2.960 6.799 10.888 1.00 0.00 C ATOM 531 C CYS A 34 -3.896 7.435 9.863 1.00 0.00 C ATOM 532 O CYS A 34 -4.238 8.612 9.968 1.00 0.00 O ATOM 533 CB CYS A 34 -3.717 6.532 12.189 1.00 0.00 C ATOM 534 SG CYS A 34 -4.712 5.021 12.166 1.00 0.00 S ATOM 0 H CYS A 34 -1.701 7.945 12.112 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.598 5.853 10.485 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.000 6.470 13.008 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.368 7.380 12.399 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.313 4.880 13.310 1.00 0.00 H new ATOM 540 N ALA A 35 -4.305 6.645 8.877 1.00 0.00 N ATOM 541 CA ALA A 35 -5.203 7.127 7.834 1.00 0.00 C ATOM 542 C ALA A 35 -6.484 6.305 7.792 1.00 0.00 C ATOM 543 O ALA A 35 -6.735 5.483 8.674 1.00 0.00 O ATOM 544 CB ALA A 35 -4.507 7.092 6.481 1.00 0.00 C ATOM 0 H ALA A 35 -4.029 5.668 8.778 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.470 8.158 8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.189 7.454 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.622 7.728 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.211 6.069 6.251 1.00 0.00 H new ATOM 550 N LYS A 36 -7.294 6.529 6.763 1.00 0.00 N ATOM 551 CA LYS A 36 -8.550 5.808 6.608 1.00 0.00 C ATOM 552 C LYS A 36 -8.491 4.869 5.407 1.00 0.00 C ATOM 553 O LYS A 36 -7.424 4.639 4.838 1.00 0.00 O ATOM 554 CB LYS A 36 -9.712 6.792 6.447 1.00 0.00 C ATOM 555 CG LYS A 36 -10.985 6.349 7.149 1.00 0.00 C ATOM 556 CD LYS A 36 -11.616 7.488 7.935 1.00 0.00 C ATOM 557 CE LYS A 36 -12.285 6.984 9.203 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.680 6.528 8.951 1.00 0.00 N ATOM 0 H LYS A 36 -7.102 7.205 6.024 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.712 5.212 7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.411 7.764 6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.920 6.925 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.697 5.976 6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.761 5.522 7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.852 8.222 8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.351 7.998 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.703 6.161 9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.292 7.778 9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.101 6.192 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.242 7.320 8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.672 5.753 8.257 1.00 0.00 H new ATOM 572 N ALA A 37 -9.645 4.330 5.026 1.00 0.00 N ATOM 573 CA ALA A 37 -9.722 3.419 3.891 1.00 0.00 C ATOM 574 C ALA A 37 -10.128 4.157 2.618 1.00 0.00 C ATOM 575 O ALA A 37 -10.688 3.563 1.696 1.00 0.00 O ATOM 576 CB ALA A 37 -10.700 2.291 4.188 1.00 0.00 C ATOM 0 H ALA A 37 -10.538 4.508 5.486 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.732 2.994 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.749 1.617 3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.363 1.739 5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.689 2.708 4.378 1.00 0.00 H new ATOM 582 N SER A 38 -9.842 5.454 2.573 1.00 0.00 N ATOM 583 CA SER A 38 -10.178 6.272 1.413 1.00 0.00 C ATOM 584 C SER A 38 -9.296 7.516 1.349 1.00 0.00 C ATOM 585 O SER A 38 -9.695 8.542 0.798 1.00 0.00 O ATOM 586 CB SER A 38 -11.653 6.680 1.456 1.00 0.00 C ATOM 587 OG SER A 38 -12.283 6.206 2.634 1.00 0.00 O ATOM 0 H SER A 38 -9.378 5.961 3.327 1.00 0.00 H new ATOM 0 HA SER A 38 -10.000 5.676 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.734 7.766 1.409 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.168 6.284 0.581 1.00 0.00 H new ATOM 0 HG SER A 38 -13.223 6.482 2.636 1.00 0.00 H new ATOM 593 N LYS A 39 -8.097 7.420 1.917 1.00 0.00 N ATOM 594 CA LYS A 39 -7.165 8.540 1.921 1.00 0.00 C ATOM 595 C LYS A 39 -6.259 8.497 0.696 1.00 0.00 C ATOM 596 O LYS A 39 -5.395 7.628 0.581 1.00 0.00 O ATOM 597 CB LYS A 39 -6.321 8.524 3.198 1.00 0.00 C ATOM 598 CG LYS A 39 -6.051 9.908 3.767 1.00 0.00 C ATOM 599 CD LYS A 39 -4.561 10.195 3.865 1.00 0.00 C ATOM 600 CE LYS A 39 -4.213 10.907 5.163 1.00 0.00 C ATOM 601 NZ LYS A 39 -4.544 12.359 5.110 1.00 0.00 N ATOM 0 H LYS A 39 -7.750 6.580 2.379 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.744 9.463 1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.830 7.923 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.370 8.035 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.526 10.660 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.503 9.990 4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.005 9.260 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.251 10.808 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.753 10.442 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.150 10.785 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.291 12.806 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.009 12.809 4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.563 12.477 4.939 1.00 0.00 H new ATOM 615 N GLU A 40 -6.463 9.440 -0.219 1.00 0.00 N ATOM 616 CA GLU A 40 -5.665 9.510 -1.438 1.00 0.00 C ATOM 617 C GLU A 40 -4.182 9.647 -1.114 1.00 0.00 C ATOM 618 O GLU A 40 -3.797 10.412 -0.230 1.00 0.00 O ATOM 619 CB GLU A 40 -6.121 10.685 -2.303 1.00 0.00 C ATOM 620 CG GLU A 40 -5.783 10.523 -3.776 1.00 0.00 C ATOM 621 CD GLU A 40 -5.680 11.852 -4.500 1.00 0.00 C ATOM 622 OE1 GLU A 40 -6.468 12.766 -4.179 1.00 0.00 O ATOM 623 OE2 GLU A 40 -4.811 11.978 -5.390 1.00 0.00 O ATOM 0 H GLU A 40 -7.175 10.166 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.811 8.582 -1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.199 10.806 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.659 11.600 -1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.839 9.987 -3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.547 9.911 -4.255 1.00 0.00 H new ATOM 630 N VAL A 41 -3.352 8.901 -1.837 1.00 0.00 N ATOM 631 CA VAL A 41 -1.910 8.939 -1.626 1.00 0.00 C ATOM 632 C VAL A 41 -1.211 9.687 -2.758 1.00 0.00 C ATOM 633 O VAL A 41 -1.857 10.175 -3.685 1.00 0.00 O ATOM 634 CB VAL A 41 -1.318 7.520 -1.521 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.853 6.809 -0.288 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.616 6.720 -2.782 1.00 0.00 C ATOM 0 H VAL A 41 -3.654 8.263 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.741 9.464 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.236 7.604 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.424 5.809 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.580 7.373 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.939 6.735 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.190 5.721 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.695 6.643 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.177 7.222 -3.644 1.00 0.00 H new ATOM 646 N LYS A 42 0.113 9.770 -2.675 1.00 0.00 N ATOM 647 CA LYS A 42 0.899 10.457 -3.692 1.00 0.00 C ATOM 648 C LYS A 42 2.210 9.723 -3.955 1.00 0.00 C ATOM 649 O LYS A 42 2.556 8.777 -3.247 1.00 0.00 O ATOM 650 CB LYS A 42 1.184 11.898 -3.260 1.00 0.00 C ATOM 651 CG LYS A 42 0.987 12.916 -4.372 1.00 0.00 C ATOM 652 CD LYS A 42 -0.303 13.700 -4.188 1.00 0.00 C ATOM 653 CE LYS A 42 -0.061 15.001 -3.440 1.00 0.00 C ATOM 654 NZ LYS A 42 0.932 15.866 -4.135 1.00 0.00 N ATOM 0 H LYS A 42 0.663 9.370 -1.915 1.00 0.00 H new ATOM 0 HA LYS A 42 0.320 10.470 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.532 12.154 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.209 11.964 -2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.832 13.604 -4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.970 12.406 -5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.742 13.915 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.024 13.093 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.002 15.540 -3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.292 14.780 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.729 16.864 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.889 15.631 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.872 15.708 -5.161 1.00 0.00 H new ATOM 668 N ALA A 43 2.935 10.165 -4.977 1.00 0.00 N ATOM 669 CA ALA A 43 4.208 9.549 -5.333 1.00 0.00 C ATOM 670 C ALA A 43 5.304 9.958 -4.355 1.00 0.00 C ATOM 671 O ALA A 43 5.215 10.999 -3.705 1.00 0.00 O ATOM 672 CB ALA A 43 4.598 9.927 -6.754 1.00 0.00 C ATOM 0 H ALA A 43 2.663 10.947 -5.573 1.00 0.00 H new ATOM 0 HA ALA A 43 4.090 8.467 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.550 9.460 -7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.830 9.582 -7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.694 11.010 -6.829 1.00 0.00 H new ATOM 678 N GLY A 44 6.339 9.129 -4.255 1.00 0.00 N ATOM 679 CA GLY A 44 7.437 9.422 -3.353 1.00 0.00 C ATOM 680 C GLY A 44 6.987 9.535 -1.909 1.00 0.00 C ATOM 681 O GLY A 44 7.574 10.280 -1.126 1.00 0.00 O ATOM 0 H GLY A 44 6.436 8.261 -4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.190 8.638 -3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.913 10.354 -3.656 1.00 0.00 H new ATOM 685 N ASP A 45 5.941 8.793 -1.559 1.00 0.00 N ATOM 686 CA ASP A 45 5.412 8.813 -0.199 1.00 0.00 C ATOM 687 C ASP A 45 5.750 7.520 0.534 1.00 0.00 C ATOM 688 O ASP A 45 6.210 6.553 -0.072 1.00 0.00 O ATOM 689 CB ASP A 45 3.897 9.020 -0.222 1.00 0.00 C ATOM 690 CG ASP A 45 3.404 9.822 0.966 1.00 0.00 C ATOM 691 OD1 ASP A 45 4.041 10.843 1.298 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.381 9.427 1.565 1.00 0.00 O ATOM 0 H ASP A 45 5.444 8.171 -2.197 1.00 0.00 H new ATOM 0 HA ASP A 45 5.876 9.643 0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.617 9.531 -1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.401 8.050 -0.233 1.00 0.00 H new ATOM 697 N THR A 46 5.519 7.508 1.843 1.00 0.00 N ATOM 698 CA THR A 46 5.800 6.332 2.657 1.00 0.00 C ATOM 699 C THR A 46 4.514 5.582 2.993 1.00 0.00 C ATOM 700 O THR A 46 3.503 6.188 3.350 1.00 0.00 O ATOM 701 CB THR A 46 6.518 6.737 3.945 1.00 0.00 C ATOM 702 OG1 THR A 46 7.722 7.424 3.652 1.00 0.00 O ATOM 703 CG2 THR A 46 6.866 5.560 4.831 1.00 0.00 C ATOM 0 H THR A 46 5.138 8.299 2.362 1.00 0.00 H new ATOM 0 HA THR A 46 6.446 5.669 2.081 1.00 0.00 H new ATOM 0 HB THR A 46 5.816 7.378 4.478 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.166 7.677 4.488 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.373 5.917 5.727 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.953 5.036 5.115 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.522 4.879 4.290 1.00 0.00 H new ATOM 711 N ILE A 47 4.562 4.259 2.878 1.00 0.00 N ATOM 712 CA ILE A 47 3.406 3.421 3.169 1.00 0.00 C ATOM 713 C ILE A 47 3.699 2.478 4.332 1.00 0.00 C ATOM 714 O ILE A 47 4.352 1.448 4.159 1.00 0.00 O ATOM 715 CB ILE A 47 2.989 2.596 1.936 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.742 3.516 0.739 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.747 1.769 2.238 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.596 4.483 0.947 1.00 0.00 C ATOM 0 H ILE A 47 5.392 3.744 2.584 1.00 0.00 H new ATOM 0 HA ILE A 47 2.586 4.085 3.442 1.00 0.00 H new ATOM 0 HB ILE A 47 3.802 1.913 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.651 4.081 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.538 2.907 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.469 1.194 1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.955 1.088 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.926 2.432 2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.478 5.104 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.677 3.925 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.807 5.118 1.808 1.00 0.00 H new ATOM 730 N SER A 48 3.218 2.839 5.517 1.00 0.00 N ATOM 731 CA SER A 48 3.434 2.028 6.710 1.00 0.00 C ATOM 732 C SER A 48 2.387 0.922 6.822 1.00 0.00 C ATOM 733 O SER A 48 1.280 1.044 6.299 1.00 0.00 O ATOM 734 CB SER A 48 3.408 2.912 7.961 1.00 0.00 C ATOM 735 OG SER A 48 3.019 2.173 9.107 1.00 0.00 O ATOM 0 H SER A 48 2.676 3.688 5.677 1.00 0.00 H new ATOM 0 HA SER A 48 4.414 1.557 6.627 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.395 3.345 8.123 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.717 3.741 7.809 1.00 0.00 H new ATOM 0 HG SER A 48 3.013 2.762 9.890 1.00 0.00 H new ATOM 741 N LEU A 49 2.750 -0.154 7.514 1.00 0.00 N ATOM 742 CA LEU A 49 1.852 -1.286 7.705 1.00 0.00 C ATOM 743 C LEU A 49 2.148 -1.987 9.027 1.00 0.00 C ATOM 744 O LEU A 49 3.189 -2.624 9.184 1.00 0.00 O ATOM 745 CB LEU A 49 1.991 -2.276 6.546 1.00 0.00 C ATOM 746 CG LEU A 49 1.102 -1.987 5.335 1.00 0.00 C ATOM 747 CD1 LEU A 49 1.791 -2.423 4.052 1.00 0.00 C ATOM 748 CD2 LEU A 49 -0.242 -2.682 5.483 1.00 0.00 C ATOM 0 H LEU A 49 3.664 -0.265 7.953 1.00 0.00 H new ATOM 0 HA LEU A 49 0.829 -0.912 7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.031 -2.286 6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.763 -3.276 6.914 1.00 0.00 H new ATOM 0 HG LEU A 49 0.929 -0.912 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.144 -2.210 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.729 -1.879 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.995 -3.493 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.861 -2.465 4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.088 -3.758 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.741 -2.321 6.382 1.00 0.00 H new ATOM 760 N HIS A 50 1.226 -1.863 9.975 1.00 0.00 N ATOM 761 CA HIS A 50 1.389 -2.481 11.287 1.00 0.00 C ATOM 762 C HIS A 50 0.948 -3.940 11.263 1.00 0.00 C ATOM 763 O HIS A 50 -0.216 -4.243 11.004 1.00 0.00 O ATOM 764 CB HIS A 50 0.589 -1.711 12.339 1.00 0.00 C ATOM 765 CG HIS A 50 1.145 -1.837 13.723 1.00 0.00 C ATOM 766 ND1 HIS A 50 2.090 -0.973 14.236 1.00 0.00 N ATOM 767 CD2 HIS A 50 0.885 -2.733 14.705 1.00 0.00 C ATOM 768 CE1 HIS A 50 2.388 -1.333 15.472 1.00 0.00 C ATOM 769 NE2 HIS A 50 1.669 -2.397 15.781 1.00 0.00 N ATOM 0 H HIS A 50 0.358 -1.340 9.860 1.00 0.00 H new ATOM 0 HA HIS A 50 2.447 -2.446 11.547 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.560 -0.657 12.062 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.440 -2.070 12.336 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.190 -3.558 14.652 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.099 -0.841 16.119 1.00 0.00 H new ATOM 0 HE2 HIS A 50 1.692 -2.889 16.674 1.00 0.00 H new ATOM 778 N TYR A 51 1.887 -4.840 11.537 1.00 0.00 N ATOM 779 CA TYR A 51 1.597 -6.269 11.548 1.00 0.00 C ATOM 780 C TYR A 51 1.985 -6.893 12.884 1.00 0.00 C ATOM 781 O TYR A 51 2.419 -6.198 13.803 1.00 0.00 O ATOM 782 CB TYR A 51 2.339 -6.970 10.407 1.00 0.00 C ATOM 783 CG TYR A 51 1.608 -6.908 9.085 1.00 0.00 C ATOM 784 CD1 TYR A 51 1.277 -5.688 8.508 1.00 0.00 C ATOM 785 CD2 TYR A 51 1.248 -8.070 8.414 1.00 0.00 C ATOM 786 CE1 TYR A 51 0.607 -5.629 7.302 1.00 0.00 C ATOM 787 CE2 TYR A 51 0.578 -8.018 7.206 1.00 0.00 C ATOM 788 CZ TYR A 51 0.260 -6.796 6.655 1.00 0.00 C ATOM 789 OH TYR A 51 -0.408 -6.740 5.453 1.00 0.00 O ATOM 0 H TYR A 51 2.855 -4.605 11.754 1.00 0.00 H new ATOM 0 HA TYR A 51 0.524 -6.398 11.407 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.323 -6.516 10.291 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.500 -8.014 10.676 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.548 -4.771 9.011 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.496 -9.030 8.843 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.356 -4.673 6.867 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.305 -8.931 6.697 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.577 -7.650 5.130 1.00 0.00 H new ATOM 799 N LEU A 52 1.826 -8.209 12.986 1.00 0.00 N ATOM 800 CA LEU A 52 2.160 -8.926 14.211 1.00 0.00 C ATOM 801 C LEU A 52 3.668 -8.953 14.430 1.00 0.00 C ATOM 802 O LEU A 52 4.159 -8.569 15.492 1.00 0.00 O ATOM 803 CB LEU A 52 1.615 -10.356 14.157 1.00 0.00 C ATOM 804 CG LEU A 52 0.228 -10.498 13.529 1.00 0.00 C ATOM 805 CD1 LEU A 52 -0.255 -11.937 13.626 1.00 0.00 C ATOM 806 CD2 LEU A 52 -0.761 -9.556 14.199 1.00 0.00 C ATOM 0 H LEU A 52 1.468 -8.800 12.235 1.00 0.00 H new ATOM 0 HA LEU A 52 1.698 -8.401 15.047 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.316 -10.974 13.596 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.580 -10.754 15.171 1.00 0.00 H new ATOM 0 HG LEU A 52 0.298 -10.228 12.475 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.244 -12.020 13.174 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.441 -12.591 13.100 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.309 -12.233 14.674 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.742 -9.671 13.739 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.828 -9.794 15.261 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.422 -8.527 14.078 1.00 0.00 H new ATOM 818 N LYS A 53 4.398 -9.409 13.418 1.00 0.00 N ATOM 819 CA LYS A 53 5.852 -9.486 13.499 1.00 0.00 C ATOM 820 C LYS A 53 6.458 -8.101 13.700 1.00 0.00 C ATOM 821 O LYS A 53 7.533 -7.960 14.283 1.00 0.00 O ATOM 822 CB LYS A 53 6.423 -10.126 12.233 1.00 0.00 C ATOM 823 CG LYS A 53 6.041 -9.395 10.956 1.00 0.00 C ATOM 824 CD LYS A 53 5.036 -10.189 10.134 1.00 0.00 C ATOM 825 CE LYS A 53 5.591 -11.547 9.731 1.00 0.00 C ATOM 826 NZ LYS A 53 5.863 -11.624 8.269 1.00 0.00 N ATOM 0 H LYS A 53 4.007 -9.731 12.533 1.00 0.00 H new ATOM 0 HA LYS A 53 6.111 -10.106 14.358 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.510 -10.160 12.311 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.076 -11.157 12.169 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.619 -8.422 11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.935 -9.211 10.360 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.121 -10.326 10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.769 -9.625 9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.511 -11.741 10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.882 -12.326 10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.240 -12.565 8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.980 -11.464 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.559 -10.897 8.007 1.00 0.00 H new ATOM 840 N GLY A 54 5.761 -7.078 13.212 1.00 0.00 N ATOM 841 CA GLY A 54 6.248 -5.718 13.349 1.00 0.00 C ATOM 842 C GLY A 54 5.702 -4.796 12.277 1.00 0.00 C ATOM 843 O GLY A 54 4.498 -4.778 12.018 1.00 0.00 O ATOM 0 H GLY A 54 4.869 -7.167 12.725 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.971 -5.333 14.330 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.337 -5.719 13.303 1.00 0.00 H new ATOM 847 N ILE A 55 6.588 -4.027 11.654 1.00 0.00 N ATOM 848 CA ILE A 55 6.190 -3.097 10.604 1.00 0.00 C ATOM 849 C ILE A 55 7.050 -3.272 9.359 1.00 0.00 C ATOM 850 O ILE A 55 8.240 -3.577 9.451 1.00 0.00 O ATOM 851 CB ILE A 55 6.288 -1.636 11.081 1.00 0.00 C ATOM 852 CG1 ILE A 55 5.608 -1.473 12.441 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.666 -0.700 10.056 1.00 0.00 C ATOM 854 CD1 ILE A 55 6.479 -1.891 13.607 1.00 0.00 C ATOM 0 H ILE A 55 7.587 -4.029 11.858 1.00 0.00 H new ATOM 0 HA ILE A 55 5.152 -3.323 10.359 1.00 0.00 H new ATOM 0 HB ILE A 55 7.341 -1.376 11.189 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.318 -0.430 12.570 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.691 -2.063 12.453 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.743 0.329 10.408 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.192 -0.799 9.106 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.616 -0.958 9.918 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.932 -1.748 14.539 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.748 -2.942 13.502 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.384 -1.284 13.621 1.00 0.00 H new ATOM 866 N GLU A 56 6.442 -3.075 8.194 1.00 0.00 N ATOM 867 CA GLU A 56 7.154 -3.209 6.928 1.00 0.00 C ATOM 868 C GLU A 56 7.671 -1.855 6.452 1.00 0.00 C ATOM 869 O GLU A 56 8.859 -1.696 6.171 1.00 0.00 O ATOM 870 CB GLU A 56 6.239 -3.820 5.865 1.00 0.00 C ATOM 871 CG GLU A 56 6.102 -5.330 5.974 1.00 0.00 C ATOM 872 CD GLU A 56 7.283 -6.067 5.374 1.00 0.00 C ATOM 873 OE1 GLU A 56 7.796 -5.616 4.329 1.00 0.00 O ATOM 874 OE2 GLU A 56 7.695 -7.096 5.950 1.00 0.00 O ATOM 0 H GLU A 56 5.458 -2.822 8.100 1.00 0.00 H new ATOM 0 HA GLU A 56 8.006 -3.870 7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.251 -3.367 5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.626 -3.569 4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.000 -5.607 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.188 -5.645 5.471 1.00 0.00 H new ATOM 881 N GLU A 57 6.770 -0.882 6.366 1.00 0.00 N ATOM 882 CA GLU A 57 7.131 0.460 5.927 1.00 0.00 C ATOM 883 C GLU A 57 7.655 0.445 4.495 1.00 0.00 C ATOM 884 O GLU A 57 8.782 0.022 4.239 1.00 0.00 O ATOM 885 CB GLU A 57 8.185 1.059 6.860 1.00 0.00 C ATOM 886 CG GLU A 57 8.271 2.575 6.788 1.00 0.00 C ATOM 887 CD GLU A 57 8.958 3.179 7.997 1.00 0.00 C ATOM 888 OE1 GLU A 57 9.958 2.594 8.465 1.00 0.00 O ATOM 889 OE2 GLU A 57 8.498 4.236 8.474 1.00 0.00 O ATOM 0 H GLU A 57 5.783 -0.999 6.595 1.00 0.00 H new ATOM 0 HA GLU A 57 6.233 1.077 5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.960 0.765 7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.159 0.636 6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.812 2.862 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.266 2.988 6.702 1.00 0.00 H new ATOM 896 N TYR A 58 6.829 0.913 3.564 1.00 0.00 N ATOM 897 CA TYR A 58 7.207 0.959 2.158 1.00 0.00 C ATOM 898 C TYR A 58 7.312 2.403 1.676 1.00 0.00 C ATOM 899 O TYR A 58 7.097 3.341 2.444 1.00 0.00 O ATOM 900 CB TYR A 58 6.194 0.195 1.303 1.00 0.00 C ATOM 901 CG TYR A 58 6.104 -1.277 1.639 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.251 -1.731 2.637 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.872 -2.213 0.956 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.166 -3.075 2.945 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.791 -3.558 1.258 1.00 0.00 C ATOM 906 CZ TYR A 58 5.937 -3.985 2.253 1.00 0.00 C ATOM 907 OH TYR A 58 5.856 -5.324 2.557 1.00 0.00 O ATOM 0 H TYR A 58 5.892 1.266 3.760 1.00 0.00 H new ATOM 0 HA TYR A 58 8.183 0.484 2.054 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.211 0.648 1.428 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.463 0.303 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.645 -1.022 3.181 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.543 -1.883 0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.499 -3.412 3.724 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.394 -4.272 0.717 1.00 0.00 H new ATOM 0 HH TYR A 58 6.718 -5.633 2.905 1.00 0.00 H new ATOM 917 N THR A 59 7.646 2.574 0.402 1.00 0.00 N ATOM 918 CA THR A 59 7.781 3.904 -0.179 1.00 0.00 C ATOM 919 C THR A 59 7.317 3.915 -1.633 1.00 0.00 C ATOM 920 O THR A 59 7.862 3.200 -2.474 1.00 0.00 O ATOM 921 CB THR A 59 9.234 4.375 -0.092 1.00 0.00 C ATOM 922 OG1 THR A 59 9.671 4.400 1.256 1.00 0.00 O ATOM 923 CG2 THR A 59 9.454 5.757 -0.670 1.00 0.00 C ATOM 0 H THR A 59 7.828 1.809 -0.248 1.00 0.00 H new ATOM 0 HA THR A 59 7.149 4.587 0.389 1.00 0.00 H new ATOM 0 HB THR A 59 9.805 3.658 -0.682 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.224 5.195 1.406 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.506 6.028 -0.575 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.172 5.760 -1.723 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.843 6.479 -0.128 1.00 0.00 H new ATOM 931 N ILE A 60 6.310 4.733 -1.920 1.00 0.00 N ATOM 932 CA ILE A 60 5.775 4.839 -3.272 1.00 0.00 C ATOM 933 C ILE A 60 6.757 5.552 -4.195 1.00 0.00 C ATOM 934 O ILE A 60 7.154 6.689 -3.936 1.00 0.00 O ATOM 935 CB ILE A 60 4.432 5.594 -3.286 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.481 5.007 -2.242 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.808 5.541 -4.673 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.142 5.710 -2.180 1.00 0.00 C ATOM 0 H ILE A 60 5.848 5.332 -1.235 1.00 0.00 H new ATOM 0 HA ILE A 60 5.615 3.822 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 60 4.616 6.638 -3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.318 3.952 -2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.955 5.058 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.860 6.079 -4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.483 6.004 -5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.634 4.502 -4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.520 5.241 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.293 6.760 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.647 5.637 -3.149 1.00 0.00 H new ATOM 950 N LEU A 61 7.147 4.877 -5.269 1.00 0.00 N ATOM 951 CA LEU A 61 8.085 5.444 -6.232 1.00 0.00 C ATOM 952 C LEU A 61 7.355 6.229 -7.319 1.00 0.00 C ATOM 953 O LEU A 61 7.955 7.056 -8.006 1.00 0.00 O ATOM 954 CB LEU A 61 8.926 4.335 -6.866 1.00 0.00 C ATOM 955 CG LEU A 61 9.648 3.420 -5.873 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.314 2.262 -6.599 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.673 4.209 -5.072 1.00 0.00 C ATOM 0 H LEU A 61 6.828 3.935 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 61 8.740 6.132 -5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.279 3.724 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.668 4.792 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 61 8.910 3.012 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.822 1.623 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.558 1.682 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.040 2.650 -7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.177 3.544 -4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.407 4.645 -5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.170 5.004 -4.521 1.00 0.00 H new ATOM 969 N GLN A 62 6.060 5.969 -7.474 1.00 0.00 N ATOM 970 CA GLN A 62 5.258 6.657 -8.479 1.00 0.00 C ATOM 971 C GLN A 62 3.794 6.239 -8.391 1.00 0.00 C ATOM 972 O GLN A 62 3.474 5.165 -7.883 1.00 0.00 O ATOM 973 CB GLN A 62 5.800 6.362 -9.880 1.00 0.00 C ATOM 974 CG GLN A 62 5.559 7.485 -10.875 1.00 0.00 C ATOM 975 CD GLN A 62 5.083 6.980 -12.223 1.00 0.00 C ATOM 976 OE1 GLN A 62 5.819 6.300 -12.938 1.00 0.00 O ATOM 977 NE2 GLN A 62 3.847 7.312 -12.576 1.00 0.00 N ATOM 0 H GLN A 62 5.545 5.288 -6.917 1.00 0.00 H new ATOM 0 HA GLN A 62 5.322 7.728 -8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.871 6.171 -9.813 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.336 5.450 -10.255 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.819 8.173 -10.467 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.481 8.051 -11.008 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.273 7.878 -11.951 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.472 7.001 -13.472 1.00 0.00 H new ATOM 986 N ILE A 63 2.909 7.097 -8.891 1.00 0.00 N ATOM 987 CA ILE A 63 1.478 6.817 -8.870 1.00 0.00 C ATOM 988 C ILE A 63 0.922 6.694 -10.286 1.00 0.00 C ATOM 989 O ILE A 63 0.444 7.672 -10.860 1.00 0.00 O ATOM 990 CB ILE A 63 0.701 7.917 -8.120 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.346 8.191 -6.761 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.757 7.515 -7.952 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.313 7.001 -5.827 1.00 0.00 C ATOM 0 H ILE A 63 3.158 7.991 -9.315 1.00 0.00 H new ATOM 0 HA ILE A 63 1.348 5.870 -8.347 1.00 0.00 H new ATOM 0 HB ILE A 63 0.738 8.834 -8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.382 8.494 -6.914 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.835 9.029 -6.287 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.292 8.302 -7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.209 7.367 -8.933 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.815 6.588 -7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.787 7.267 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.278 6.710 -5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.849 6.168 -6.281 1.00 0.00 H new ATOM 1005 N PRO A 64 0.980 5.485 -10.870 1.00 0.00 N ATOM 1006 CA PRO A 64 0.480 5.238 -12.226 1.00 0.00 C ATOM 1007 C PRO A 64 -1.044 5.287 -12.307 1.00 0.00 C ATOM 1008 O PRO A 64 -1.616 5.261 -13.397 1.00 0.00 O ATOM 1009 CB PRO A 64 0.985 3.828 -12.538 1.00 0.00 C ATOM 1010 CG PRO A 64 1.128 3.176 -11.207 1.00 0.00 C ATOM 1011 CD PRO A 64 1.536 4.265 -10.254 1.00 0.00 C ATOM 0 HA PRO A 64 0.824 5.997 -12.929 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.282 3.286 -13.171 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.936 3.856 -13.070 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.190 2.716 -10.895 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.877 2.384 -11.239 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.131 4.098 -9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.620 4.324 -10.152 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.698 5.356 -11.150 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.155 5.407 -11.098 1.00 0.00 C ATOM 1021 C ALA A 65 -3.766 4.133 -11.672 1.00 0.00 C ATOM 1022 O ALA A 65 -4.846 4.161 -12.262 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.670 6.626 -11.849 1.00 0.00 C ATOM 0 H ALA A 65 -1.242 5.378 -10.238 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.455 5.487 -10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.759 6.650 -11.801 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.267 7.531 -11.394 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.354 6.572 -12.891 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.067 3.017 -11.492 1.00 0.00 N ATOM 1030 CA LEU A 66 -3.539 1.730 -11.992 1.00 0.00 C ATOM 1031 C LEU A 66 -4.342 0.995 -10.923 1.00 0.00 C ATOM 1032 O LEU A 66 -3.886 0.831 -9.792 1.00 0.00 O ATOM 1033 CB LEU A 66 -2.356 0.871 -12.446 1.00 0.00 C ATOM 1034 CG LEU A 66 -2.455 0.339 -13.876 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -2.104 1.430 -14.877 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -1.543 -0.866 -14.059 1.00 0.00 C ATOM 0 H LEU A 66 -2.172 2.977 -11.004 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.191 1.914 -12.846 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.443 1.460 -12.356 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.258 0.025 -11.766 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.483 0.025 -14.057 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.180 1.033 -15.889 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.795 2.265 -14.762 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.085 1.774 -14.698 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.625 -1.233 -15.082 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.512 -0.575 -13.860 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.838 -1.654 -13.366 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.542 0.554 -11.290 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.408 -0.164 -10.365 1.00 0.00 C ATOM 1050 C LYS A 67 -5.873 -1.566 -10.083 1.00 0.00 C ATOM 1051 O LYS A 67 -6.188 -2.164 -9.055 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.829 -0.251 -10.926 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.595 1.061 -10.849 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.137 1.475 -12.207 1.00 0.00 C ATOM 1055 CE LYS A 67 -10.573 1.014 -12.398 1.00 0.00 C ATOM 1056 NZ LYS A 67 -10.652 -0.442 -12.701 1.00 0.00 N ATOM 0 H LYS A 67 -5.935 0.682 -12.222 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.427 0.390 -9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.781 -0.574 -11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.380 -1.017 -10.380 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.420 0.960 -10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.940 1.843 -10.465 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.086 2.559 -12.305 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.511 1.054 -12.994 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.147 1.229 -11.496 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.031 1.579 -13.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.647 -0.717 -12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.126 -0.644 -13.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.238 -0.983 -11.915 1.00 0.00 H new ATOM 1070 N ASN A 68 -5.063 -2.086 -11.002 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.488 -3.418 -10.847 1.00 0.00 C ATOM 1072 C ASN A 68 -3.201 -3.553 -11.657 1.00 0.00 C ATOM 1073 O ASN A 68 -3.227 -3.553 -12.887 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.494 -4.484 -11.285 1.00 0.00 C ATOM 1075 CG ASN A 68 -5.115 -5.870 -10.800 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -5.558 -6.312 -9.741 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -4.291 -6.564 -11.577 1.00 0.00 N ATOM 0 H ASN A 68 -4.791 -1.606 -11.860 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.250 -3.564 -9.793 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.482 -4.226 -10.904 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.564 -4.489 -12.373 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.001 -7.503 -11.303 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.948 -6.158 -12.448 1.00 0.00 H new ATOM 1084 N VAL A 69 -2.078 -3.671 -10.956 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.781 -3.809 -11.609 1.00 0.00 C ATOM 1086 C VAL A 69 -0.334 -5.270 -11.639 1.00 0.00 C ATOM 1087 O VAL A 69 -0.402 -5.966 -10.626 1.00 0.00 O ATOM 1088 CB VAL A 69 0.299 -2.972 -10.896 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.588 -2.962 -11.703 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.198 -1.554 -10.652 1.00 0.00 C ATOM 0 H VAL A 69 -2.040 -3.674 -9.937 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.900 -3.444 -12.629 1.00 0.00 H new ATOM 0 HB VAL A 69 0.508 -3.430 -9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.338 -2.366 -11.183 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.952 -3.983 -11.819 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.399 -2.530 -12.686 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.578 -0.978 -10.148 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.437 -1.083 -11.606 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.091 -1.584 -10.028 1.00 0.00 H new ATOM 1100 N PRO A 70 0.133 -5.758 -12.803 1.00 0.00 N ATOM 1101 CA PRO A 70 0.591 -7.144 -12.948 1.00 0.00 C ATOM 1102 C PRO A 70 1.924 -7.386 -12.248 1.00 0.00 C ATOM 1103 O PRO A 70 2.454 -6.501 -11.578 1.00 0.00 O ATOM 1104 CB PRO A 70 0.742 -7.310 -14.461 1.00 0.00 C ATOM 1105 CG PRO A 70 1.017 -5.936 -14.965 1.00 0.00 C ATOM 1106 CD PRO A 70 0.253 -5.002 -14.066 1.00 0.00 C ATOM 0 HA PRO A 70 -0.101 -7.854 -12.496 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.556 -7.992 -14.705 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.163 -7.722 -14.907 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.084 -5.717 -14.938 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.696 -5.829 -16.001 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.784 -4.061 -13.921 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.725 -4.756 -14.481 1.00 0.00 H new ATOM 1114 N ARG A 71 2.462 -8.591 -12.410 1.00 0.00 N ATOM 1115 CA ARG A 71 3.735 -8.947 -11.793 1.00 0.00 C ATOM 1116 C ARG A 71 4.897 -8.651 -12.735 1.00 0.00 C ATOM 1117 O ARG A 71 5.744 -9.509 -12.985 1.00 0.00 O ATOM 1118 CB ARG A 71 3.740 -10.425 -11.400 1.00 0.00 C ATOM 1119 CG ARG A 71 4.464 -10.705 -10.092 1.00 0.00 C ATOM 1120 CD ARG A 71 5.367 -11.925 -10.201 1.00 0.00 C ATOM 1121 NE ARG A 71 6.770 -11.555 -10.367 1.00 0.00 N ATOM 1122 CZ ARG A 71 7.706 -12.382 -10.827 1.00 0.00 C ATOM 1123 NH1 ARG A 71 7.391 -13.627 -11.168 1.00 0.00 N ATOM 1124 NH2 ARG A 71 8.958 -11.965 -10.948 1.00 0.00 N ATOM 0 H ARG A 71 2.037 -9.336 -12.962 1.00 0.00 H new ATOM 0 HA ARG A 71 3.858 -8.342 -10.895 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.711 -10.774 -11.318 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.210 -11.002 -12.196 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.059 -9.836 -9.811 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.734 -10.862 -9.298 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.257 -12.538 -9.306 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.051 -12.536 -11.047 1.00 0.00 H new ATOM 0 HE ARG A 71 7.049 -10.607 -10.116 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.429 -13.953 -11.078 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.112 -14.257 -11.520 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.205 -11.010 -10.689 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.675 -12.599 -11.301 1.00 0.00 H new ATOM 1138 N LYS A 72 4.932 -7.429 -13.257 1.00 0.00 N ATOM 1139 CA LYS A 72 5.991 -7.018 -14.172 1.00 0.00 C ATOM 1140 C LYS A 72 6.586 -5.678 -13.748 1.00 0.00 C ATOM 1141 O LYS A 72 7.768 -5.588 -13.419 1.00 0.00 O ATOM 1142 CB LYS A 72 5.450 -6.925 -15.600 1.00 0.00 C ATOM 1143 CG LYS A 72 6.322 -7.630 -16.627 1.00 0.00 C ATOM 1144 CD LYS A 72 6.041 -9.123 -16.663 1.00 0.00 C ATOM 1145 CE LYS A 72 6.333 -9.713 -18.034 1.00 0.00 C ATOM 1146 NZ LYS A 72 5.087 -9.952 -18.813 1.00 0.00 N ATOM 0 H LYS A 72 4.239 -6.706 -13.062 1.00 0.00 H new ATOM 0 HA LYS A 72 6.780 -7.769 -14.140 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.449 -7.355 -15.629 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.354 -5.875 -15.876 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.144 -7.201 -17.613 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.373 -7.462 -16.391 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.649 -9.627 -15.912 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.998 -9.304 -16.402 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.984 -9.037 -18.589 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.874 -10.652 -17.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.329 -10.354 -19.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.477 -10.617 -18.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.583 -9.052 -18.947 1.00 0.00 H new ATOM 1160 N ASP A 73 5.757 -4.639 -13.760 1.00 0.00 N ATOM 1161 CA ASP A 73 6.200 -3.303 -13.375 1.00 0.00 C ATOM 1162 C ASP A 73 5.664 -2.925 -11.998 1.00 0.00 C ATOM 1163 O ASP A 73 5.472 -1.747 -11.698 1.00 0.00 O ATOM 1164 CB ASP A 73 5.744 -2.275 -14.411 1.00 0.00 C ATOM 1165 CG ASP A 73 6.630 -2.260 -15.642 1.00 0.00 C ATOM 1166 OD1 ASP A 73 7.859 -2.431 -15.490 1.00 0.00 O ATOM 1167 OD2 ASP A 73 6.097 -2.079 -16.756 1.00 0.00 O ATOM 0 H ASP A 73 4.776 -4.696 -14.032 1.00 0.00 H new ATOM 0 HA ASP A 73 7.289 -3.308 -13.331 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.718 -2.493 -14.708 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.740 -1.284 -13.958 1.00 0.00 H new ATOM 1172 N THR A 74 5.424 -3.932 -11.165 1.00 0.00 N ATOM 1173 CA THR A 74 4.910 -3.705 -9.819 1.00 0.00 C ATOM 1174 C THR A 74 6.047 -3.542 -8.810 1.00 0.00 C ATOM 1175 O THR A 74 5.825 -3.099 -7.682 1.00 0.00 O ATOM 1176 CB THR A 74 4.003 -4.862 -9.397 1.00 0.00 C ATOM 1177 OG1 THR A 74 3.402 -4.597 -8.142 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.727 -6.186 -9.288 1.00 0.00 C ATOM 0 H THR A 74 5.577 -4.913 -11.398 1.00 0.00 H new ATOM 0 HA THR A 74 4.333 -2.781 -9.834 1.00 0.00 H new ATOM 0 HB THR A 74 3.255 -4.941 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.547 -5.072 -8.082 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.024 -6.961 -8.985 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.159 -6.445 -10.255 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.521 -6.106 -8.546 1.00 0.00 H new ATOM 1186 N HIS A 75 7.261 -3.902 -9.217 1.00 0.00 N ATOM 1187 CA HIS A 75 8.422 -3.791 -8.340 1.00 0.00 C ATOM 1188 C HIS A 75 9.171 -2.482 -8.579 1.00 0.00 C ATOM 1189 O HIS A 75 10.363 -2.379 -8.293 1.00 0.00 O ATOM 1190 CB HIS A 75 9.363 -4.981 -8.555 1.00 0.00 C ATOM 1191 CG HIS A 75 9.479 -5.875 -7.360 1.00 0.00 C ATOM 1192 ND1 HIS A 75 8.437 -6.101 -6.485 1.00 0.00 N ATOM 1193 CD2 HIS A 75 10.523 -6.601 -6.895 1.00 0.00 C ATOM 1194 CE1 HIS A 75 8.835 -6.927 -5.534 1.00 0.00 C ATOM 1195 NE2 HIS A 75 10.095 -7.246 -5.759 1.00 0.00 N ATOM 0 H HIS A 75 7.466 -4.272 -10.145 1.00 0.00 H new ATOM 0 HA HIS A 75 8.067 -3.796 -7.309 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.008 -5.566 -9.403 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.353 -4.608 -8.817 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.508 -6.662 -7.334 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.231 -7.281 -4.712 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.660 -7.870 -5.183 1.00 0.00 H new ATOM 1204 N LEU A 76 8.465 -1.483 -9.101 1.00 0.00 N ATOM 1205 CA LEU A 76 9.067 -0.182 -9.372 1.00 0.00 C ATOM 1206 C LEU A 76 8.139 0.958 -8.950 1.00 0.00 C ATOM 1207 O LEU A 76 8.358 2.113 -9.314 1.00 0.00 O ATOM 1208 CB LEU A 76 9.405 -0.055 -10.859 1.00 0.00 C ATOM 1209 CG LEU A 76 10.796 -0.551 -11.252 1.00 0.00 C ATOM 1210 CD1 LEU A 76 10.807 -1.020 -12.699 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.831 0.543 -11.037 1.00 0.00 C ATOM 0 H LEU A 76 7.477 -1.550 -9.344 1.00 0.00 H new ATOM 0 HA LEU A 76 9.984 -0.109 -8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.663 -0.610 -11.433 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.314 0.992 -11.148 1.00 0.00 H new ATOM 0 HG LEU A 76 11.052 -1.398 -10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.806 -1.369 -12.961 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.093 -1.835 -12.823 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.530 -0.192 -13.352 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.816 0.173 -11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.578 1.409 -11.649 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.842 0.832 -9.986 1.00 0.00 H new ATOM 1223 N TYR A 77 7.104 0.628 -8.183 1.00 0.00 N ATOM 1224 CA TYR A 77 6.148 1.627 -7.717 1.00 0.00 C ATOM 1225 C TYR A 77 6.138 1.716 -6.191 1.00 0.00 C ATOM 1226 O TYR A 77 5.704 2.719 -5.624 1.00 0.00 O ATOM 1227 CB TYR A 77 4.745 1.296 -8.228 1.00 0.00 C ATOM 1228 CG TYR A 77 4.599 1.441 -9.727 1.00 0.00 C ATOM 1229 CD1 TYR A 77 5.006 2.599 -10.375 1.00 0.00 C ATOM 1230 CD2 TYR A 77 4.055 0.416 -10.493 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.875 2.735 -11.744 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.920 0.544 -11.862 1.00 0.00 C ATOM 1233 CZ TYR A 77 4.331 1.704 -12.483 1.00 0.00 C ATOM 1234 OH TYR A 77 4.199 1.835 -13.846 1.00 0.00 O ATOM 0 H TYR A 77 6.906 -0.323 -7.871 1.00 0.00 H new ATOM 0 HA TYR A 77 6.456 2.595 -8.113 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.495 0.274 -7.944 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.024 1.949 -7.736 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.432 3.407 -9.800 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.733 -0.495 -10.010 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.196 3.643 -12.233 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.494 -0.261 -12.443 1.00 0.00 H new ATOM 0 HH TYR A 77 3.800 1.020 -14.216 1.00 0.00 H new ATOM 1244 N ILE A 78 6.616 0.664 -5.531 1.00 0.00 N ATOM 1245 CA ILE A 78 6.658 0.630 -4.074 1.00 0.00 C ATOM 1246 C ILE A 78 7.765 -0.297 -3.582 1.00 0.00 C ATOM 1247 O ILE A 78 7.951 -1.393 -4.111 1.00 0.00 O ATOM 1248 CB ILE A 78 5.309 0.169 -3.485 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.352 0.206 -1.956 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.963 -1.227 -3.979 1.00 0.00 C ATOM 1251 CD1 ILE A 78 4.053 -0.222 -1.304 1.00 0.00 C ATOM 0 H ILE A 78 6.979 -0.175 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 78 6.862 1.646 -3.735 1.00 0.00 H new ATOM 0 HB ILE A 78 4.531 0.854 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.155 -0.443 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.596 1.218 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.008 -1.537 -3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.891 -1.221 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.741 -1.925 -3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.156 -0.171 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.250 0.442 -1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.818 -1.245 -1.599 1.00 0.00 H new ATOM 1263 N ALA A 79 8.499 0.151 -2.569 1.00 0.00 N ATOM 1264 CA ALA A 79 9.588 -0.638 -2.007 1.00 0.00 C ATOM 1265 C ALA A 79 9.600 -0.553 -0.482 1.00 0.00 C ATOM 1266 O ALA A 79 9.252 0.479 0.092 1.00 0.00 O ATOM 1267 CB ALA A 79 10.921 -0.174 -2.573 1.00 0.00 C ATOM 0 H ALA A 79 8.359 1.056 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 79 9.429 -1.680 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.726 -0.772 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.917 -0.293 -3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.076 0.876 -2.324 1.00 0.00 H new ATOM 1273 N PRO A 80 10.002 -1.642 0.196 1.00 0.00 N ATOM 1274 CA PRO A 80 10.056 -1.685 1.660 1.00 0.00 C ATOM 1275 C PRO A 80 11.231 -0.891 2.222 1.00 0.00 C ATOM 1276 O PRO A 80 12.384 -1.309 2.117 1.00 0.00 O ATOM 1277 CB PRO A 80 10.228 -3.174 1.960 1.00 0.00 C ATOM 1278 CG PRO A 80 10.928 -3.718 0.764 1.00 0.00 C ATOM 1279 CD PRO A 80 10.434 -2.917 -0.410 1.00 0.00 C ATOM 0 HA PRO A 80 9.170 -1.241 2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.812 -3.331 2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.265 -3.662 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.009 -3.627 0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.709 -4.778 0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.220 -2.763 -1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.611 -3.418 -0.919 1.00 0.00 H new ATOM 1287 N LYS A 81 10.930 0.257 2.823 1.00 0.00 N ATOM 1288 CA LYS A 81 11.961 1.107 3.405 1.00 0.00 C ATOM 1289 C LYS A 81 12.112 0.832 4.898 1.00 0.00 C ATOM 1290 O LYS A 81 11.171 0.389 5.556 1.00 0.00 O ATOM 1291 CB LYS A 81 11.623 2.583 3.179 1.00 0.00 C ATOM 1292 CG LYS A 81 12.845 3.487 3.139 1.00 0.00 C ATOM 1293 CD LYS A 81 13.204 3.877 1.714 1.00 0.00 C ATOM 1294 CE LYS A 81 14.368 4.854 1.680 1.00 0.00 C ATOM 1295 NZ LYS A 81 15.035 4.880 0.349 1.00 0.00 N ATOM 0 H LYS A 81 9.981 0.619 2.919 1.00 0.00 H new ATOM 0 HA LYS A 81 12.906 0.878 2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.077 2.683 2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.957 2.921 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.653 4.385 3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.690 2.978 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.461 2.984 1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.337 4.325 1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.010 5.854 1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.095 4.579 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.823 5.559 0.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.400 3.932 0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.349 5.167 -0.378 1.00 0.00 H new