USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HE2:sc= 0.707 K(o=1.3,f=-1.6!) USER MOD Set 1.2: A 87 SER OG : rot 80:sc= 0.579 USER MOD Set 2.1: A 64 SER OG : rot 79:sc= 1.18 USER MOD Set 2.2: A 67 SER OG : rot -22:sc= 0.889 USER MOD Set 3.1: A 13 GLN : amide:sc= 2.06 K(o=3.8,f=0.67) USER MOD Set 3.2: A 36 ASN : amide:sc= 1.76 K(o=3.8,f=-2.9) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0703 (180deg=-0.569) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.19 K(o=1.2,f=-0.0051) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.57 K(o=0.57,f=-0.48) USER MOD Single : A 23 MET CE :methyl -121:sc= -0.0179 (180deg=-0.0385) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.08) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0.909 (180deg=0.908) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.832 K(o=0.83,f=-6.3!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 55 SER OG : rot 77:sc= 1.25 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= 1.12 (180deg=0.879) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0655 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.613 -13.591 -0.390 1.00 0.00 N ATOM 2 CA MET A 1 -5.520 -13.614 0.616 1.00 0.00 C ATOM 3 C MET A 1 -6.111 -13.875 2.001 1.00 0.00 C ATOM 4 O MET A 1 -7.108 -13.256 2.371 1.00 0.00 O ATOM 5 CB MET A 1 -4.707 -12.302 0.632 1.00 0.00 C ATOM 6 CG MET A 1 -3.836 -12.107 -0.618 1.00 0.00 C ATOM 7 SD MET A 1 -2.530 -13.347 -0.874 1.00 0.00 S ATOM 8 CE MET A 1 -1.327 -12.817 0.378 1.00 0.00 C ATOM 0 H1 MET A 1 -6.213 -13.413 -1.333 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.105 -14.507 -0.389 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.288 -12.836 -0.152 1.00 0.00 H new ATOM 0 HA MET A 1 -4.834 -14.414 0.340 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.393 -11.460 0.722 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.069 -12.290 1.516 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.485 -12.105 -1.493 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.371 -11.123 -0.564 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.361 -13.278 0.173 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.225 -11.732 0.348 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.672 -13.122 1.366 1.00 0.00 H new ATOM 20 N LEU A 2 -5.507 -14.785 2.768 1.00 0.00 N ATOM 21 CA LEU A 2 -5.925 -15.180 4.111 1.00 0.00 C ATOM 22 C LEU A 2 -4.677 -15.280 4.992 1.00 0.00 C ATOM 23 O LEU A 2 -3.546 -15.285 4.488 1.00 0.00 O ATOM 24 CB LEU A 2 -6.615 -16.563 4.080 1.00 0.00 C ATOM 25 CG LEU A 2 -7.893 -16.701 3.233 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.346 -18.165 3.233 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.033 -15.821 3.754 1.00 0.00 C ATOM 0 H LEU A 2 -4.677 -15.288 2.454 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.626 -14.442 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -5.891 -17.292 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.860 -16.840 5.105 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.655 -16.371 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.251 -18.266 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.559 -18.789 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.551 -18.483 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.912 -15.953 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.274 -16.107 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.725 -14.776 3.732 1.00 0.00 H new ATOM 39 N GLN A 3 -4.904 -15.439 6.295 1.00 0.00 N ATOM 40 CA GLN A 3 -3.925 -15.834 7.294 1.00 0.00 C ATOM 41 C GLN A 3 -4.414 -17.161 7.874 1.00 0.00 C ATOM 42 O GLN A 3 -5.606 -17.301 8.151 1.00 0.00 O ATOM 43 CB GLN A 3 -3.864 -14.755 8.388 1.00 0.00 C ATOM 44 CG GLN A 3 -2.846 -15.021 9.506 1.00 0.00 C ATOM 45 CD GLN A 3 -2.897 -13.916 10.563 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.607 -14.028 11.559 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.161 -12.829 10.388 1.00 0.00 N ATOM 0 H GLN A 3 -5.828 -15.286 6.699 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.926 -15.944 6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.627 -13.799 7.921 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.853 -14.655 8.834 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.054 -15.985 9.971 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.843 -15.080 9.084 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.573 -12.739 9.560 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.183 -12.081 11.082 1.00 0.00 H new ATOM 56 N TYR A 4 -3.508 -18.108 8.103 1.00 0.00 N ATOM 57 CA TYR A 4 -3.734 -19.318 8.885 1.00 0.00 C ATOM 58 C TYR A 4 -2.806 -19.255 10.099 1.00 0.00 C ATOM 59 O TYR A 4 -1.729 -18.656 10.037 1.00 0.00 O ATOM 60 CB TYR A 4 -3.410 -20.590 8.073 1.00 0.00 C ATOM 61 CG TYR A 4 -4.455 -21.155 7.116 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.482 -20.370 6.552 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.372 -22.519 6.771 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.408 -20.935 5.658 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.294 -23.095 5.879 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.320 -22.302 5.317 1.00 0.00 C ATOM 67 OH TYR A 4 -7.226 -22.840 4.453 1.00 0.00 O ATOM 0 H TYR A 4 -2.559 -18.050 7.734 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.783 -19.369 9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.511 -20.387 7.492 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.159 -21.377 8.784 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.558 -19.324 6.810 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.590 -23.130 7.197 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.188 -20.322 5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.218 -24.142 5.624 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.028 -23.791 4.321 1.00 0.00 H new ATOM 77 N ARG A 5 -3.175 -19.957 11.169 1.00 0.00 N ATOM 78 CA ARG A 5 -2.290 -20.322 12.270 1.00 0.00 C ATOM 79 C ARG A 5 -2.387 -21.836 12.377 1.00 0.00 C ATOM 80 O ARG A 5 -3.480 -22.379 12.214 1.00 0.00 O ATOM 81 CB ARG A 5 -2.727 -19.631 13.573 1.00 0.00 C ATOM 82 CG ARG A 5 -1.606 -19.616 14.628 1.00 0.00 C ATOM 83 CD ARG A 5 -2.165 -19.234 16.005 1.00 0.00 C ATOM 84 NE ARG A 5 -1.097 -18.868 16.953 1.00 0.00 N ATOM 85 CZ ARG A 5 -0.728 -17.630 17.308 1.00 0.00 C ATOM 86 NH1 ARG A 5 -1.280 -16.551 16.755 1.00 0.00 N ATOM 87 NH2 ARG A 5 0.210 -17.502 18.234 1.00 0.00 N ATOM 0 H ARG A 5 -4.128 -20.297 11.296 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.262 -20.003 12.095 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -3.032 -18.607 13.355 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.599 -20.144 13.979 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.135 -20.598 14.680 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.832 -18.907 14.334 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.856 -18.398 15.897 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.737 -20.070 16.408 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.585 -19.638 17.384 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.002 -16.656 16.043 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.980 -15.620 17.044 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.629 -18.332 18.654 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.514 -16.574 18.527 1.00 0.00 H new ATOM 101 N ILE A 6 -1.274 -22.519 12.615 1.00 0.00 N ATOM 102 CA ILE A 6 -1.209 -23.976 12.640 1.00 0.00 C ATOM 103 C ILE A 6 -0.402 -24.338 13.883 1.00 0.00 C ATOM 104 O ILE A 6 0.596 -23.678 14.182 1.00 0.00 O ATOM 105 CB ILE A 6 -0.572 -24.529 11.338 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.236 -23.993 10.044 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.588 -26.070 11.337 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.379 -24.199 8.788 1.00 0.00 C ATOM 0 H ILE A 6 -0.377 -22.070 12.799 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.201 -24.425 12.686 1.00 0.00 H new ATOM 0 HB ILE A 6 0.457 -24.168 11.333 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.196 -24.490 9.905 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.442 -22.929 10.164 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.137 -26.438 10.415 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.021 -26.440 12.191 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.617 -26.423 11.403 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.904 -23.801 7.920 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.572 -23.679 8.907 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.195 -25.264 8.644 1.00 0.00 H new ATOM 120 N ILE A 7 -0.813 -25.391 14.585 1.00 0.00 N ATOM 121 CA ILE A 7 -0.157 -25.912 15.778 1.00 0.00 C ATOM 122 C ILE A 7 0.028 -27.410 15.519 1.00 0.00 C ATOM 123 O ILE A 7 -0.868 -28.039 14.947 1.00 0.00 O ATOM 124 CB ILE A 7 -1.013 -25.625 17.040 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.492 -24.156 17.184 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.265 -26.061 18.314 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.387 -23.117 17.410 1.00 0.00 C ATOM 0 H ILE A 7 -1.644 -25.924 14.327 1.00 0.00 H new ATOM 0 HA ILE A 7 0.805 -25.436 15.968 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.917 -26.219 16.908 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.044 -23.883 16.285 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.193 -24.101 18.017 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.882 -25.851 19.188 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.056 -27.130 18.265 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.673 -25.511 18.392 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.832 -22.126 17.497 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.153 -23.354 18.327 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.304 -23.132 16.567 1.00 0.00 H new ATOM 139 N VAL A 8 1.173 -27.983 15.897 1.00 0.00 N ATOM 140 CA VAL A 8 1.536 -29.358 15.538 1.00 0.00 C ATOM 141 C VAL A 8 2.158 -30.044 16.754 1.00 0.00 C ATOM 142 O VAL A 8 2.905 -29.403 17.494 1.00 0.00 O ATOM 143 CB VAL A 8 2.519 -29.370 14.340 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.456 -30.721 13.614 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.291 -28.261 13.298 1.00 0.00 C ATOM 0 H VAL A 8 1.876 -27.507 16.462 1.00 0.00 H new ATOM 0 HA VAL A 8 0.640 -29.901 15.236 1.00 0.00 H new ATOM 0 HB VAL A 8 3.496 -29.190 14.788 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.151 -30.716 12.775 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.728 -31.519 14.305 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.444 -30.889 13.246 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.028 -28.354 12.500 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.289 -28.356 12.879 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.394 -27.287 13.775 1.00 0.00 H new ATOM 155 N ASP A 9 1.906 -31.341 16.941 1.00 0.00 N ATOM 156 CA ASP A 9 2.429 -32.142 18.047 1.00 0.00 C ATOM 157 C ASP A 9 2.874 -33.514 17.536 1.00 0.00 C ATOM 158 O ASP A 9 2.397 -33.973 16.494 1.00 0.00 O ATOM 159 CB ASP A 9 1.347 -32.315 19.121 1.00 0.00 C ATOM 160 CG ASP A 9 1.867 -33.043 20.374 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.046 -32.858 20.750 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.082 -33.786 21.006 1.00 0.00 O ATOM 0 H ASP A 9 1.314 -31.878 16.307 1.00 0.00 H new ATOM 0 HA ASP A 9 3.287 -31.629 18.481 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.965 -31.335 19.407 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.510 -32.874 18.702 1.00 0.00 H new ATOM 167 N GLY A 10 3.789 -34.163 18.258 1.00 0.00 N ATOM 168 CA GLY A 10 4.339 -35.474 17.942 1.00 0.00 C ATOM 169 C GLY A 10 5.845 -35.489 18.173 1.00 0.00 C ATOM 170 O GLY A 10 6.380 -34.684 18.940 1.00 0.00 O ATOM 0 H GLY A 10 4.181 -33.770 19.114 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.862 -36.234 18.561 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.122 -35.726 16.904 1.00 0.00 H new ATOM 174 N ARG A 11 6.547 -36.377 17.468 1.00 0.00 N ATOM 175 CA ARG A 11 7.982 -36.251 17.235 1.00 0.00 C ATOM 176 C ARG A 11 8.154 -35.112 16.229 1.00 0.00 C ATOM 177 O ARG A 11 8.216 -35.356 15.023 1.00 0.00 O ATOM 178 CB ARG A 11 8.536 -37.601 16.741 1.00 0.00 C ATOM 179 CG ARG A 11 10.032 -37.564 16.395 1.00 0.00 C ATOM 180 CD ARG A 11 10.481 -38.896 15.782 1.00 0.00 C ATOM 181 NE ARG A 11 11.671 -38.708 14.938 1.00 0.00 N ATOM 182 CZ ARG A 11 12.955 -38.833 15.284 1.00 0.00 C ATOM 183 NH1 ARG A 11 13.309 -39.214 16.509 1.00 0.00 N ATOM 184 NH2 ARG A 11 13.875 -38.559 14.367 1.00 0.00 N ATOM 0 H ARG A 11 6.133 -37.206 17.042 1.00 0.00 H new ATOM 0 HA ARG A 11 8.545 -36.011 18.137 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.368 -38.356 17.509 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.976 -37.913 15.860 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.228 -36.752 15.695 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.613 -37.358 17.294 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.701 -39.611 16.575 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.671 -39.319 15.188 1.00 0.00 H new ATOM 0 HE ARG A 11 11.493 -38.450 13.967 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.593 -39.418 17.207 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.296 -39.303 16.750 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.592 -38.264 13.433 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.865 -38.644 14.597 1.00 0.00 H new ATOM 198 N VAL A 12 8.148 -33.870 16.710 1.00 0.00 N ATOM 199 CA VAL A 12 8.130 -32.672 15.870 1.00 0.00 C ATOM 200 C VAL A 12 9.138 -31.624 16.371 1.00 0.00 C ATOM 201 O VAL A 12 9.021 -30.448 16.033 1.00 0.00 O ATOM 202 CB VAL A 12 6.685 -32.127 15.745 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.731 -33.157 15.122 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.089 -31.648 17.080 1.00 0.00 C ATOM 0 H VAL A 12 8.156 -33.664 17.709 1.00 0.00 H new ATOM 0 HA VAL A 12 8.455 -32.935 14.864 1.00 0.00 H new ATOM 0 HB VAL A 12 6.777 -31.264 15.086 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.730 -32.731 15.054 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.082 -33.421 14.124 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.704 -34.051 15.745 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.076 -31.280 16.915 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.063 -32.478 17.786 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.705 -30.846 17.486 1.00 0.00 H new ATOM 214 N GLN A 13 10.120 -32.025 17.189 1.00 0.00 N ATOM 215 CA GLN A 13 11.169 -31.144 17.698 1.00 0.00 C ATOM 216 C GLN A 13 12.504 -31.878 17.618 1.00 0.00 C ATOM 217 O GLN A 13 12.546 -33.096 17.827 1.00 0.00 O ATOM 218 CB GLN A 13 10.900 -30.739 19.160 1.00 0.00 C ATOM 219 CG GLN A 13 9.478 -30.233 19.443 1.00 0.00 C ATOM 220 CD GLN A 13 9.422 -29.389 20.718 1.00 0.00 C ATOM 221 OE1 GLN A 13 9.808 -29.828 21.800 1.00 0.00 O ATOM 222 NE2 GLN A 13 8.964 -28.152 20.612 1.00 0.00 N ATOM 0 H GLN A 13 10.206 -32.987 17.518 1.00 0.00 H new ATOM 0 HA GLN A 13 11.188 -30.238 17.093 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.098 -31.598 19.801 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.609 -29.961 19.442 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.128 -29.640 18.598 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.802 -31.082 19.539 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.647 -27.801 19.708 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.928 -27.549 21.434 1.00 0.00 H new ATOM 231 N GLY A 14 13.591 -31.150 17.372 1.00 0.00 N ATOM 232 CA GLY A 14 14.917 -31.723 17.221 1.00 0.00 C ATOM 233 C GLY A 14 15.008 -32.590 15.965 1.00 0.00 C ATOM 234 O GLY A 14 15.714 -33.602 15.979 1.00 0.00 O ATOM 0 H GLY A 14 13.571 -30.135 17.272 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.657 -30.924 17.168 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.158 -32.323 18.098 1.00 0.00 H new ATOM 238 N VAL A 15 14.285 -32.233 14.901 1.00 0.00 N ATOM 239 CA VAL A 15 14.164 -33.021 13.673 1.00 0.00 C ATOM 240 C VAL A 15 14.319 -32.149 12.417 1.00 0.00 C ATOM 241 O VAL A 15 14.473 -32.691 11.320 1.00 0.00 O ATOM 242 CB VAL A 15 12.848 -33.838 13.673 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.903 -35.001 14.674 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.594 -32.995 13.959 1.00 0.00 C ATOM 0 H VAL A 15 13.753 -31.363 14.869 1.00 0.00 H new ATOM 0 HA VAL A 15 14.987 -33.735 13.646 1.00 0.00 H new ATOM 0 HB VAL A 15 12.763 -34.224 12.657 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.962 -35.551 14.645 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.722 -35.670 14.410 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.064 -34.609 15.678 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.713 -33.636 13.942 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.685 -32.529 14.940 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.494 -32.221 13.198 1.00 0.00 H new ATOM 254 N GLY A 16 14.348 -30.823 12.556 1.00 0.00 N ATOM 255 CA GLY A 16 14.479 -29.871 11.470 1.00 0.00 C ATOM 256 C GLY A 16 13.117 -29.287 11.105 1.00 0.00 C ATOM 257 O GLY A 16 12.958 -28.825 9.973 1.00 0.00 O ATOM 0 H GLY A 16 14.277 -30.372 13.468 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.159 -29.070 11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.917 -30.361 10.600 1.00 0.00 H new ATOM 261 N PHE A 17 12.126 -29.347 11.999 1.00 0.00 N ATOM 262 CA PHE A 17 10.751 -29.010 11.667 1.00 0.00 C ATOM 263 C PHE A 17 10.643 -27.538 11.273 1.00 0.00 C ATOM 264 O PHE A 17 9.991 -27.225 10.275 1.00 0.00 O ATOM 265 CB PHE A 17 9.800 -29.379 12.815 1.00 0.00 C ATOM 266 CG PHE A 17 8.413 -29.783 12.346 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.513 -28.816 11.861 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.020 -31.134 12.385 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.230 -29.194 11.426 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.737 -31.512 11.953 1.00 0.00 C ATOM 271 CZ PHE A 17 5.840 -30.544 11.471 1.00 0.00 C ATOM 0 H PHE A 17 12.260 -29.631 12.970 1.00 0.00 H new ATOM 0 HA PHE A 17 10.444 -29.601 10.804 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.235 -30.199 13.387 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.713 -28.529 13.492 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.809 -27.778 11.823 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.707 -31.884 12.748 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.544 -28.446 11.057 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.440 -32.550 11.992 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.855 -30.836 11.137 1.00 0.00 H new ATOM 281 N ARG A 18 11.323 -26.628 11.984 1.00 0.00 N ATOM 282 CA ARG A 18 11.376 -25.216 11.592 1.00 0.00 C ATOM 283 C ARG A 18 11.865 -25.053 10.156 1.00 0.00 C ATOM 284 O ARG A 18 11.222 -24.353 9.375 1.00 0.00 O ATOM 285 CB ARG A 18 12.272 -24.441 12.571 1.00 0.00 C ATOM 286 CG ARG A 18 11.492 -24.038 13.829 1.00 0.00 C ATOM 287 CD ARG A 18 12.421 -23.613 14.970 1.00 0.00 C ATOM 288 NE ARG A 18 12.983 -24.769 15.688 1.00 0.00 N ATOM 289 CZ ARG A 18 13.630 -24.715 16.855 1.00 0.00 C ATOM 290 NH1 ARG A 18 13.901 -23.539 17.427 1.00 0.00 N ATOM 291 NH2 ARG A 18 13.988 -25.832 17.465 1.00 0.00 N ATOM 0 H ARG A 18 11.844 -26.846 12.834 1.00 0.00 H new ATOM 0 HA ARG A 18 10.367 -24.807 11.635 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.128 -25.055 12.851 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.666 -23.550 12.082 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.815 -23.218 13.588 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.875 -24.875 14.157 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.233 -23.007 14.569 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.870 -22.985 15.670 1.00 0.00 H new ATOM 0 HE ARG A 18 12.869 -25.687 15.259 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.613 -22.672 16.972 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.396 -23.507 18.318 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.770 -26.735 17.044 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.482 -25.790 18.356 1.00 0.00 H new ATOM 305 N TYR A 19 12.971 -25.701 9.787 1.00 0.00 N ATOM 306 CA TYR A 19 13.541 -25.582 8.455 1.00 0.00 C ATOM 307 C TYR A 19 12.620 -26.194 7.403 1.00 0.00 C ATOM 308 O TYR A 19 12.422 -25.590 6.350 1.00 0.00 O ATOM 309 CB TYR A 19 14.926 -26.235 8.434 1.00 0.00 C ATOM 310 CG TYR A 19 15.973 -25.435 9.187 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.537 -24.288 8.594 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.363 -25.812 10.487 1.00 0.00 C ATOM 313 CE1 TYR A 19 17.483 -23.519 9.294 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.309 -25.048 11.194 1.00 0.00 C ATOM 315 CZ TYR A 19 17.873 -23.894 10.599 1.00 0.00 C ATOM 316 OH TYR A 19 18.791 -23.141 11.269 1.00 0.00 O ATOM 0 H TYR A 19 13.492 -26.321 10.407 1.00 0.00 H new ATOM 0 HA TYR A 19 13.647 -24.526 8.207 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.857 -27.232 8.869 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.247 -26.359 7.400 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.241 -23.998 7.597 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.934 -26.692 10.943 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.912 -22.641 8.834 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.605 -25.342 12.190 1.00 0.00 H new ATOM 0 HH TYR A 19 18.951 -23.531 12.154 1.00 0.00 H new ATOM 326 N PHE A 20 12.025 -27.355 7.683 1.00 0.00 N ATOM 327 CA PHE A 20 11.059 -27.988 6.795 1.00 0.00 C ATOM 328 C PHE A 20 9.905 -27.031 6.502 1.00 0.00 C ATOM 329 O PHE A 20 9.617 -26.765 5.337 1.00 0.00 O ATOM 330 CB PHE A 20 10.565 -29.304 7.414 1.00 0.00 C ATOM 331 CG PHE A 20 9.361 -29.912 6.714 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.517 -30.575 5.482 1.00 0.00 C ATOM 333 CD2 PHE A 20 8.078 -29.794 7.286 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.398 -31.127 4.832 1.00 0.00 C ATOM 335 CE2 PHE A 20 6.958 -30.331 6.627 1.00 0.00 C ATOM 336 CZ PHE A 20 7.118 -31.005 5.404 1.00 0.00 C ATOM 0 H PHE A 20 12.203 -27.882 8.538 1.00 0.00 H new ATOM 0 HA PHE A 20 11.538 -28.224 5.845 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.381 -30.027 7.401 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.312 -29.128 8.459 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.497 -30.660 5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.955 -29.290 8.233 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.522 -31.645 3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.975 -30.226 7.061 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.260 -31.429 4.904 1.00 0.00 H new ATOM 346 N VAL A 21 9.288 -26.461 7.538 1.00 0.00 N ATOM 347 CA VAL A 21 8.186 -25.522 7.376 1.00 0.00 C ATOM 348 C VAL A 21 8.651 -24.296 6.579 1.00 0.00 C ATOM 349 O VAL A 21 7.930 -23.855 5.684 1.00 0.00 O ATOM 350 CB VAL A 21 7.613 -25.172 8.763 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.550 -24.075 8.700 1.00 0.00 C ATOM 352 CG2 VAL A 21 6.936 -26.397 9.398 1.00 0.00 C ATOM 0 H VAL A 21 9.540 -26.639 8.510 1.00 0.00 H new ATOM 0 HA VAL A 21 7.378 -25.970 6.798 1.00 0.00 H new ATOM 0 HB VAL A 21 8.464 -24.830 9.352 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.181 -23.868 9.704 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.987 -23.169 8.280 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.724 -24.405 8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.539 -26.127 10.376 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.122 -26.736 8.757 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.666 -27.198 9.512 1.00 0.00 H new ATOM 362 N GLN A 22 9.855 -23.774 6.843 1.00 0.00 N ATOM 363 CA GLN A 22 10.397 -22.632 6.116 1.00 0.00 C ATOM 364 C GLN A 22 10.474 -22.955 4.619 1.00 0.00 C ATOM 365 O GLN A 22 10.037 -22.148 3.798 1.00 0.00 O ATOM 366 CB GLN A 22 11.764 -22.247 6.719 1.00 0.00 C ATOM 367 CG GLN A 22 12.214 -20.796 6.477 1.00 0.00 C ATOM 368 CD GLN A 22 12.531 -20.440 5.024 1.00 0.00 C ATOM 369 OE1 GLN A 22 13.078 -21.237 4.266 1.00 0.00 O ATOM 370 NE2 GLN A 22 12.224 -19.219 4.616 1.00 0.00 N ATOM 0 H GLN A 22 10.476 -24.135 7.567 1.00 0.00 H new ATOM 0 HA GLN A 22 9.741 -21.767 6.217 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.729 -22.423 7.794 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.522 -22.916 6.311 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.432 -20.127 6.835 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.100 -20.603 7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.770 -18.567 5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.441 -18.930 3.662 1.00 0.00 H new ATOM 379 N MET A 23 10.972 -24.140 4.256 1.00 0.00 N ATOM 380 CA MET A 23 11.133 -24.522 2.858 1.00 0.00 C ATOM 381 C MET A 23 9.789 -24.854 2.202 1.00 0.00 C ATOM 382 O MET A 23 9.614 -24.559 1.023 1.00 0.00 O ATOM 383 CB MET A 23 12.092 -25.716 2.742 1.00 0.00 C ATOM 384 CG MET A 23 13.531 -25.332 3.114 1.00 0.00 C ATOM 385 SD MET A 23 14.757 -26.660 2.932 1.00 0.00 S ATOM 386 CE MET A 23 14.254 -27.773 4.275 1.00 0.00 C ATOM 0 H MET A 23 11.272 -24.854 4.920 1.00 0.00 H new ATOM 0 HA MET A 23 11.556 -23.669 2.328 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.751 -26.520 3.394 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.071 -26.101 1.722 1.00 0.00 H new ATOM 0 HG2 MET A 23 13.837 -24.489 2.494 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.542 -24.988 4.148 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.085 -27.905 4.968 1.00 0.00 H new ATOM 0 HE2 MET A 23 13.404 -27.343 4.805 1.00 0.00 H new ATOM 0 HE3 MET A 23 13.971 -28.740 3.859 1.00 0.00 H new ATOM 396 N GLU A 24 8.821 -25.427 2.922 1.00 0.00 N ATOM 397 CA GLU A 24 7.492 -25.674 2.373 1.00 0.00 C ATOM 398 C GLU A 24 6.778 -24.347 2.095 1.00 0.00 C ATOM 399 O GLU A 24 6.143 -24.196 1.048 1.00 0.00 O ATOM 400 CB GLU A 24 6.672 -26.550 3.334 1.00 0.00 C ATOM 401 CG GLU A 24 7.110 -28.023 3.356 1.00 0.00 C ATOM 402 CD GLU A 24 7.049 -28.679 1.967 1.00 0.00 C ATOM 403 OE1 GLU A 24 5.949 -28.763 1.379 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.104 -29.082 1.427 1.00 0.00 O ATOM 0 H GLU A 24 8.937 -25.728 3.890 1.00 0.00 H new ATOM 0 HA GLU A 24 7.594 -26.210 1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.752 -26.142 4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.621 -26.497 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.128 -28.090 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.472 -28.578 4.044 1.00 0.00 H new ATOM 411 N ALA A 25 6.924 -23.367 2.993 1.00 0.00 N ATOM 412 CA ALA A 25 6.396 -22.029 2.786 1.00 0.00 C ATOM 413 C ALA A 25 7.079 -21.373 1.589 1.00 0.00 C ATOM 414 O ALA A 25 6.395 -20.774 0.761 1.00 0.00 O ATOM 415 CB ALA A 25 6.597 -21.182 4.041 1.00 0.00 C ATOM 0 H ALA A 25 7.412 -23.486 3.881 1.00 0.00 H new ATOM 0 HA ALA A 25 5.328 -22.101 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.197 -20.182 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.076 -21.645 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.661 -21.114 4.268 1.00 0.00 H new ATOM 421 N ASP A 26 8.403 -21.513 1.470 1.00 0.00 N ATOM 422 CA ASP A 26 9.178 -20.983 0.351 1.00 0.00 C ATOM 423 C ASP A 26 8.698 -21.578 -0.973 1.00 0.00 C ATOM 424 O ASP A 26 8.467 -20.850 -1.938 1.00 0.00 O ATOM 425 CB ASP A 26 10.671 -21.289 0.531 1.00 0.00 C ATOM 426 CG ASP A 26 11.487 -20.632 -0.593 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.688 -19.397 -0.555 1.00 0.00 O ATOM 428 OD2 ASP A 26 11.950 -21.347 -1.508 1.00 0.00 O ATOM 0 H ASP A 26 8.971 -22.005 2.159 1.00 0.00 H new ATOM 0 HA ASP A 26 9.032 -19.903 0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.011 -20.922 1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.832 -22.367 0.525 1.00 0.00 H new ATOM 433 N LYS A 27 8.470 -22.895 -1.001 1.00 0.00 N ATOM 434 CA LYS A 27 7.968 -23.618 -2.167 1.00 0.00 C ATOM 435 C LYS A 27 6.616 -23.073 -2.613 1.00 0.00 C ATOM 436 O LYS A 27 6.402 -22.900 -3.813 1.00 0.00 O ATOM 437 CB LYS A 27 7.973 -25.127 -1.844 1.00 0.00 C ATOM 438 CG LYS A 27 7.405 -26.056 -2.935 1.00 0.00 C ATOM 439 CD LYS A 27 5.890 -26.335 -2.844 1.00 0.00 C ATOM 440 CE LYS A 27 5.435 -26.985 -1.523 1.00 0.00 C ATOM 441 NZ LYS A 27 6.002 -28.341 -1.323 1.00 0.00 N ATOM 0 H LYS A 27 8.634 -23.498 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 27 8.619 -23.467 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.999 -25.430 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.402 -25.284 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.618 -25.617 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.936 -27.007 -2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.353 -25.396 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.603 -26.985 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.729 -26.347 -0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.347 -27.046 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.718 -28.702 -0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.647 -28.979 -2.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.040 -28.294 -1.375 1.00 0.00 H new ATOM 455 N ARG A 28 5.718 -22.759 -1.675 1.00 0.00 N ATOM 456 CA ARG A 28 4.423 -22.148 -1.979 1.00 0.00 C ATOM 457 C ARG A 28 4.485 -20.614 -2.073 1.00 0.00 C ATOM 458 O ARG A 28 3.450 -20.002 -2.332 1.00 0.00 O ATOM 459 CB ARG A 28 3.388 -22.589 -0.925 1.00 0.00 C ATOM 460 CG ARG A 28 2.856 -24.029 -1.049 1.00 0.00 C ATOM 461 CD ARG A 28 2.357 -24.466 -2.441 1.00 0.00 C ATOM 462 NE ARG A 28 1.467 -23.483 -3.101 1.00 0.00 N ATOM 463 CZ ARG A 28 0.311 -23.741 -3.734 1.00 0.00 C ATOM 464 NH1 ARG A 28 -0.232 -24.951 -3.739 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.349 -22.767 -4.349 1.00 0.00 N ATOM 0 H ARG A 28 5.870 -22.922 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 28 4.121 -22.497 -2.966 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.835 -22.474 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.540 -21.906 -0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.648 -24.712 -0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.037 -24.151 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.219 -24.648 -3.083 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.826 -25.413 -2.344 1.00 0.00 H new ATOM 0 HE ARG A 28 1.763 -22.507 -3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.230 -25.719 -3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.111 -25.113 -4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.021 -21.817 -4.342 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.227 -22.969 -4.828 1.00 0.00 H new ATOM 479 N LYS A 29 5.654 -19.984 -1.900 1.00 0.00 N ATOM 480 CA LYS A 29 5.839 -18.529 -1.838 1.00 0.00 C ATOM 481 C LYS A 29 4.858 -17.866 -0.854 1.00 0.00 C ATOM 482 O LYS A 29 4.349 -16.772 -1.109 1.00 0.00 O ATOM 483 CB LYS A 29 5.852 -17.891 -3.249 1.00 0.00 C ATOM 484 CG LYS A 29 6.958 -18.433 -4.177 1.00 0.00 C ATOM 485 CD LYS A 29 6.522 -19.645 -5.017 1.00 0.00 C ATOM 486 CE LYS A 29 7.742 -20.358 -5.612 1.00 0.00 C ATOM 487 NZ LYS A 29 7.374 -21.662 -6.218 1.00 0.00 N ATOM 0 H LYS A 29 6.531 -20.494 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 29 6.829 -18.334 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.883 -18.058 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.975 -16.813 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.281 -17.636 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.822 -18.712 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.956 -20.339 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.858 -19.319 -5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.202 -19.722 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.487 -20.516 -4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.218 -22.099 -6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.989 -22.290 -5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.657 -21.512 -6.956 1.00 0.00 H new ATOM 501 N LEU A 30 4.574 -18.536 0.268 1.00 0.00 N ATOM 502 CA LEU A 30 3.827 -17.969 1.386 1.00 0.00 C ATOM 503 C LEU A 30 4.688 -16.923 2.101 1.00 0.00 C ATOM 504 O LEU A 30 5.911 -16.893 1.939 1.00 0.00 O ATOM 505 CB LEU A 30 3.436 -19.091 2.368 1.00 0.00 C ATOM 506 CG LEU A 30 2.343 -20.041 1.847 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.132 -21.191 2.830 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.007 -19.328 1.634 1.00 0.00 C ATOM 0 H LEU A 30 4.863 -19.502 0.423 1.00 0.00 H new ATOM 0 HA LEU A 30 2.921 -17.490 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.325 -19.675 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.094 -18.639 3.299 1.00 0.00 H new ATOM 0 HG LEU A 30 2.687 -20.419 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.356 -21.856 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.063 -21.747 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.826 -20.792 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.269 -20.041 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.665 -18.907 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.134 -18.528 0.905 1.00 0.00 H new ATOM 520 N ALA A 31 4.052 -16.113 2.949 1.00 0.00 N ATOM 521 CA ALA A 31 4.713 -15.274 3.946 1.00 0.00 C ATOM 522 C ALA A 31 4.246 -15.726 5.331 1.00 0.00 C ATOM 523 O ALA A 31 3.272 -16.473 5.425 1.00 0.00 O ATOM 524 CB ALA A 31 4.366 -13.805 3.697 1.00 0.00 C ATOM 0 H ALA A 31 3.036 -16.021 2.960 1.00 0.00 H new ATOM 0 HA ALA A 31 5.796 -15.374 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.861 -13.183 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.702 -13.515 2.702 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.287 -13.669 3.769 1.00 0.00 H new ATOM 530 N GLY A 32 4.928 -15.322 6.404 1.00 0.00 N ATOM 531 CA GLY A 32 4.581 -15.728 7.761 1.00 0.00 C ATOM 532 C GLY A 32 5.812 -15.982 8.622 1.00 0.00 C ATOM 533 O GLY A 32 6.887 -15.424 8.371 1.00 0.00 O ATOM 0 H GLY A 32 5.737 -14.703 6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.970 -14.953 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.974 -16.633 7.723 1.00 0.00 H new ATOM 537 N TRP A 33 5.664 -16.824 9.643 1.00 0.00 N ATOM 538 CA TRP A 33 6.769 -17.302 10.450 1.00 0.00 C ATOM 539 C TRP A 33 6.471 -18.667 11.084 1.00 0.00 C ATOM 540 O TRP A 33 5.323 -19.117 11.124 1.00 0.00 O ATOM 541 CB TRP A 33 7.142 -16.247 11.509 1.00 0.00 C ATOM 542 CG TRP A 33 6.021 -15.751 12.373 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.619 -16.301 13.541 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.143 -14.602 12.155 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.573 -15.571 14.066 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.240 -14.505 13.257 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.023 -13.625 11.142 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.282 -13.484 13.353 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.049 -12.610 11.217 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.182 -12.535 12.321 1.00 0.00 C ATOM 0 H TRP A 33 4.758 -17.194 9.931 1.00 0.00 H new ATOM 0 HA TRP A 33 7.628 -17.452 9.796 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.912 -16.668 12.155 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.586 -15.392 10.999 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.052 -17.180 13.995 1.00 0.00 H new ATOM 0 HE1 TRP A 33 4.104 -15.792 14.944 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.691 -13.657 10.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.628 -13.428 14.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.968 -11.885 10.421 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.441 -11.751 12.376 1.00 0.00 H new ATOM 561 N VAL A 34 7.510 -19.305 11.629 1.00 0.00 N ATOM 562 CA VAL A 34 7.433 -20.561 12.369 1.00 0.00 C ATOM 563 C VAL A 34 8.323 -20.459 13.605 1.00 0.00 C ATOM 564 O VAL A 34 9.403 -19.869 13.543 1.00 0.00 O ATOM 565 CB VAL A 34 7.828 -21.747 11.455 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.251 -21.656 10.876 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.677 -23.097 12.177 1.00 0.00 C ATOM 0 H VAL A 34 8.462 -18.945 11.563 1.00 0.00 H new ATOM 0 HA VAL A 34 6.411 -20.746 12.699 1.00 0.00 H new ATOM 0 HB VAL A 34 7.130 -21.683 10.620 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.445 -22.526 10.248 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.343 -20.749 10.278 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.974 -21.628 11.691 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.964 -23.904 11.503 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.321 -23.113 13.057 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.640 -23.232 12.484 1.00 0.00 H new ATOM 577 N LYS A 35 7.903 -21.086 14.705 1.00 0.00 N ATOM 578 CA LYS A 35 8.732 -21.325 15.881 1.00 0.00 C ATOM 579 C LYS A 35 8.421 -22.720 16.415 1.00 0.00 C ATOM 580 O LYS A 35 7.393 -23.311 16.071 1.00 0.00 O ATOM 581 CB LYS A 35 8.519 -20.224 16.937 1.00 0.00 C ATOM 582 CG LYS A 35 7.095 -20.161 17.513 1.00 0.00 C ATOM 583 CD LYS A 35 7.025 -19.144 18.659 1.00 0.00 C ATOM 584 CE LYS A 35 5.581 -19.031 19.157 1.00 0.00 C ATOM 585 NZ LYS A 35 5.462 -18.215 20.387 1.00 0.00 N ATOM 0 H LYS A 35 6.955 -21.449 14.802 1.00 0.00 H new ATOM 0 HA LYS A 35 9.788 -21.284 15.615 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.222 -20.382 17.755 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.760 -19.259 16.491 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.391 -19.883 16.729 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.798 -21.146 17.874 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.679 -19.454 19.474 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.380 -18.171 18.318 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.964 -18.591 18.373 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.188 -20.029 19.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.465 -18.172 20.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.027 -18.646 21.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.810 -17.253 20.200 1.00 0.00 H new ATOM 599 N ASN A 36 9.287 -23.243 17.280 1.00 0.00 N ATOM 600 CA ASN A 36 9.106 -24.560 17.879 1.00 0.00 C ATOM 601 C ASN A 36 9.166 -24.367 19.387 1.00 0.00 C ATOM 602 O ASN A 36 10.194 -23.946 19.921 1.00 0.00 O ATOM 603 CB ASN A 36 10.142 -25.559 17.336 1.00 0.00 C ATOM 604 CG ASN A 36 9.591 -26.977 17.304 1.00 0.00 C ATOM 605 OD1 ASN A 36 8.614 -27.281 17.984 1.00 0.00 O ATOM 606 ND2 ASN A 36 10.155 -27.848 16.492 1.00 0.00 N ATOM 0 H ASN A 36 10.134 -22.764 17.585 1.00 0.00 H new ATOM 0 HA ASN A 36 8.143 -24.998 17.617 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.442 -25.262 16.331 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.037 -25.530 17.958 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.781 -28.794 16.420 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.966 -27.576 15.936 1.00 0.00 H new ATOM 613 N ARG A 37 8.016 -24.514 20.044 1.00 0.00 N ATOM 614 CA ARG A 37 7.761 -23.936 21.359 1.00 0.00 C ATOM 615 C ARG A 37 8.468 -24.732 22.455 1.00 0.00 C ATOM 616 O ARG A 37 8.575 -25.956 22.361 1.00 0.00 O ATOM 617 CB ARG A 37 6.252 -23.982 21.639 1.00 0.00 C ATOM 618 CG ARG A 37 5.309 -23.238 20.674 1.00 0.00 C ATOM 619 CD ARG A 37 3.886 -23.722 21.002 1.00 0.00 C ATOM 620 NE ARG A 37 2.833 -22.725 20.767 1.00 0.00 N ATOM 621 CZ ARG A 37 1.578 -22.821 21.225 1.00 0.00 C ATOM 622 NH1 ARG A 37 1.212 -23.836 22.012 1.00 0.00 N ATOM 623 NH2 ARG A 37 0.691 -21.890 20.889 1.00 0.00 N ATOM 0 H ARG A 37 7.228 -25.044 19.672 1.00 0.00 H new ATOM 0 HA ARG A 37 8.134 -22.912 21.361 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.949 -25.029 21.659 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.087 -23.583 22.640 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.392 -22.159 20.804 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.564 -23.455 19.637 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.670 -24.607 20.404 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.852 -24.028 22.048 1.00 0.00 H new ATOM 0 HE ARG A 37 3.075 -21.901 20.216 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.892 -24.551 22.272 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.253 -23.896 22.353 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.969 -21.114 20.289 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.268 -21.952 21.231 1.00 0.00 H new ATOM 637 N ASP A 38 8.799 -24.072 23.567 1.00 0.00 N ATOM 638 CA ASP A 38 9.165 -24.750 24.818 1.00 0.00 C ATOM 639 C ASP A 38 7.990 -25.573 25.370 1.00 0.00 C ATOM 640 O ASP A 38 8.191 -26.605 26.008 1.00 0.00 O ATOM 641 CB ASP A 38 9.618 -23.719 25.857 1.00 0.00 C ATOM 642 CG ASP A 38 9.963 -24.387 27.199 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.021 -25.048 27.298 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.197 -24.223 28.176 1.00 0.00 O ATOM 0 H ASP A 38 8.822 -23.054 23.628 1.00 0.00 H new ATOM 0 HA ASP A 38 9.986 -25.435 24.606 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.489 -23.181 25.482 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.829 -22.982 26.008 1.00 0.00 H new ATOM 649 N ASP A 39 6.759 -25.152 25.055 1.00 0.00 N ATOM 650 CA ASP A 39 5.503 -25.869 25.309 1.00 0.00 C ATOM 651 C ASP A 39 5.443 -27.240 24.605 1.00 0.00 C ATOM 652 O ASP A 39 4.626 -28.084 24.976 1.00 0.00 O ATOM 653 CB ASP A 39 4.332 -24.948 24.913 1.00 0.00 C ATOM 654 CG ASP A 39 3.035 -25.665 24.516 1.00 0.00 C ATOM 655 OD1 ASP A 39 2.204 -25.980 25.396 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.783 -25.813 23.298 1.00 0.00 O ATOM 0 H ASP A 39 6.604 -24.256 24.592 1.00 0.00 H new ATOM 0 HA ASP A 39 5.435 -26.105 26.371 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.118 -24.282 25.749 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.651 -24.322 24.080 1.00 0.00 H new ATOM 661 N GLY A 40 6.335 -27.503 23.643 1.00 0.00 N ATOM 662 CA GLY A 40 6.562 -28.831 23.076 1.00 0.00 C ATOM 663 C GLY A 40 5.942 -29.007 21.689 1.00 0.00 C ATOM 664 O GLY A 40 6.199 -30.013 21.025 1.00 0.00 O ATOM 0 H GLY A 40 6.929 -26.783 23.231 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.635 -29.014 23.013 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.149 -29.582 23.750 1.00 0.00 H new ATOM 668 N ARG A 41 5.134 -28.042 21.244 1.00 0.00 N ATOM 669 CA ARG A 41 4.434 -28.073 19.967 1.00 0.00 C ATOM 670 C ARG A 41 5.124 -27.130 18.995 1.00 0.00 C ATOM 671 O ARG A 41 5.766 -26.165 19.409 1.00 0.00 O ATOM 672 CB ARG A 41 2.965 -27.679 20.200 1.00 0.00 C ATOM 673 CG ARG A 41 2.227 -28.799 20.948 1.00 0.00 C ATOM 674 CD ARG A 41 0.782 -28.432 21.297 1.00 0.00 C ATOM 675 NE ARG A 41 0.720 -27.475 22.415 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.382 -27.099 23.069 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.589 -27.478 22.653 1.00 0.00 N ATOM 678 NH2 ARG A 41 -0.259 -26.335 24.147 1.00 0.00 N ATOM 0 H ARG A 41 4.946 -27.195 21.781 1.00 0.00 H new ATOM 0 HA ARG A 41 4.456 -29.073 19.534 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.916 -26.754 20.775 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.477 -27.487 19.245 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.230 -29.701 20.336 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.768 -29.035 21.864 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.294 -28.002 20.422 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.230 -29.335 21.559 1.00 0.00 H new ATOM 0 HE ARG A 41 1.601 -27.061 22.718 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.682 -28.064 21.823 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.421 -27.182 23.164 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.666 -26.045 24.463 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.090 -26.038 24.659 1.00 0.00 H new ATOM 692 N VAL A 42 4.961 -27.370 17.702 1.00 0.00 N ATOM 693 CA VAL A 42 5.355 -26.398 16.691 1.00 0.00 C ATOM 694 C VAL A 42 4.201 -25.406 16.599 1.00 0.00 C ATOM 695 O VAL A 42 3.038 -25.798 16.743 1.00 0.00 O ATOM 696 CB VAL A 42 5.619 -27.060 15.319 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.460 -26.141 14.418 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.328 -28.417 15.419 1.00 0.00 C ATOM 0 H VAL A 42 4.559 -28.229 17.328 1.00 0.00 H new ATOM 0 HA VAL A 42 6.291 -25.912 16.968 1.00 0.00 H new ATOM 0 HB VAL A 42 4.632 -27.227 14.887 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.632 -26.630 13.459 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.928 -25.203 14.257 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.417 -25.938 14.898 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.480 -28.822 14.419 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.293 -28.288 15.909 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.715 -29.106 16.000 1.00 0.00 H new ATOM 708 N GLU A 43 4.515 -24.146 16.314 1.00 0.00 N ATOM 709 CA GLU A 43 3.531 -23.112 16.053 1.00 0.00 C ATOM 710 C GLU A 43 3.957 -22.349 14.804 1.00 0.00 C ATOM 711 O GLU A 43 5.130 -22.013 14.627 1.00 0.00 O ATOM 712 CB GLU A 43 3.409 -22.229 17.296 1.00 0.00 C ATOM 713 CG GLU A 43 2.538 -20.981 17.095 1.00 0.00 C ATOM 714 CD GLU A 43 2.085 -20.419 18.444 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.906 -20.320 19.378 1.00 0.00 O ATOM 716 OE2 GLU A 43 0.879 -20.140 18.622 1.00 0.00 O ATOM 0 H GLU A 43 5.478 -23.814 16.258 1.00 0.00 H new ATOM 0 HA GLU A 43 2.541 -23.524 15.858 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.993 -22.822 18.110 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.406 -21.917 17.606 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.099 -20.223 16.549 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.668 -21.232 16.488 1.00 0.00 H new ATOM 723 N ILE A 44 2.992 -22.096 13.927 1.00 0.00 N ATOM 724 CA ILE A 44 3.192 -21.529 12.609 1.00 0.00 C ATOM 725 C ILE A 44 2.097 -20.480 12.432 1.00 0.00 C ATOM 726 O ILE A 44 0.964 -20.685 12.877 1.00 0.00 O ATOM 727 CB ILE A 44 3.068 -22.622 11.514 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.589 -24.029 11.913 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.769 -22.126 10.241 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.431 -25.108 10.831 1.00 0.00 C ATOM 0 H ILE A 44 2.011 -22.290 14.128 1.00 0.00 H new ATOM 0 HA ILE A 44 4.187 -21.094 12.515 1.00 0.00 H new ATOM 0 HB ILE A 44 2.001 -22.770 11.351 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.644 -23.949 12.174 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.062 -24.355 12.810 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.690 -22.885 9.463 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.295 -21.205 9.900 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.820 -21.935 10.456 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.823 -26.055 11.202 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.376 -25.224 10.584 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.982 -24.812 9.939 1.00 0.00 H new ATOM 742 N LEU A 45 2.403 -19.399 11.724 1.00 0.00 N ATOM 743 CA LEU A 45 1.427 -18.442 11.232 1.00 0.00 C ATOM 744 C LEU A 45 1.847 -18.159 9.799 1.00 0.00 C ATOM 745 O LEU A 45 3.015 -17.859 9.562 1.00 0.00 O ATOM 746 CB LEU A 45 1.412 -17.205 12.145 1.00 0.00 C ATOM 747 CG LEU A 45 0.324 -16.174 11.779 1.00 0.00 C ATOM 748 CD1 LEU A 45 -0.031 -15.339 13.014 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.768 -15.223 10.656 1.00 0.00 C ATOM 0 H LEU A 45 3.362 -19.160 11.471 1.00 0.00 H new ATOM 0 HA LEU A 45 0.399 -18.806 11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.262 -17.527 13.175 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.388 -16.721 12.101 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.540 -16.736 11.425 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.800 -14.612 12.753 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.404 -15.994 13.801 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.858 -14.816 13.368 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.034 -14.518 10.438 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.656 -14.675 10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.998 -15.800 9.760 1.00 0.00 H new ATOM 761 N ALA A 46 0.933 -18.303 8.842 1.00 0.00 N ATOM 762 CA ALA A 46 1.236 -18.230 7.419 1.00 0.00 C ATOM 763 C ALA A 46 0.163 -17.413 6.717 1.00 0.00 C ATOM 764 O ALA A 46 -0.975 -17.358 7.179 1.00 0.00 O ATOM 765 CB ALA A 46 1.320 -19.641 6.833 1.00 0.00 C ATOM 0 H ALA A 46 -0.053 -18.476 9.039 1.00 0.00 H new ATOM 0 HA ALA A 46 2.199 -17.742 7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.547 -19.580 5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.107 -20.199 7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.366 -20.150 6.972 1.00 0.00 H new ATOM 771 N GLU A 47 0.519 -16.774 5.610 1.00 0.00 N ATOM 772 CA GLU A 47 -0.299 -15.787 4.926 1.00 0.00 C ATOM 773 C GLU A 47 -0.131 -15.996 3.426 1.00 0.00 C ATOM 774 O GLU A 47 0.999 -16.172 2.953 1.00 0.00 O ATOM 775 CB GLU A 47 0.135 -14.368 5.331 1.00 0.00 C ATOM 776 CG GLU A 47 0.113 -14.166 6.852 1.00 0.00 C ATOM 777 CD GLU A 47 0.240 -12.705 7.279 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.975 -11.927 6.630 1.00 0.00 O ATOM 779 OE2 GLU A 47 -0.439 -12.337 8.263 1.00 0.00 O ATOM 0 H GLU A 47 1.415 -16.936 5.150 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.347 -15.903 5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.140 -14.176 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.525 -13.640 4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.817 -14.572 7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.927 -14.738 7.297 1.00 0.00 H new ATOM 786 N GLY A 48 -1.238 -16.000 2.681 1.00 0.00 N ATOM 787 CA GLY A 48 -1.214 -16.347 1.265 1.00 0.00 C ATOM 788 C GLY A 48 -2.605 -16.641 0.711 1.00 0.00 C ATOM 789 O GLY A 48 -3.599 -16.396 1.399 1.00 0.00 O ATOM 0 H GLY A 48 -2.164 -15.766 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.768 -15.528 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.577 -17.219 1.119 1.00 0.00 H new ATOM 793 N PRO A 49 -2.702 -17.141 -0.532 1.00 0.00 N ATOM 794 CA PRO A 49 -3.954 -17.624 -1.091 1.00 0.00 C ATOM 795 C PRO A 49 -4.358 -18.956 -0.444 1.00 0.00 C ATOM 796 O PRO A 49 -3.520 -19.714 0.058 1.00 0.00 O ATOM 797 CB PRO A 49 -3.700 -17.758 -2.595 1.00 0.00 C ATOM 798 CG PRO A 49 -2.204 -18.052 -2.682 1.00 0.00 C ATOM 799 CD PRO A 49 -1.614 -17.295 -1.490 1.00 0.00 C ATOM 0 HA PRO A 49 -4.786 -16.946 -0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.293 -18.562 -3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.961 -16.844 -3.129 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.002 -19.121 -2.617 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.782 -17.705 -3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.783 -17.846 -1.051 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.225 -16.324 -1.798 1.00 0.00 H new ATOM 807 N GLU A 50 -5.658 -19.259 -0.495 1.00 0.00 N ATOM 808 CA GLU A 50 -6.244 -20.414 0.175 1.00 0.00 C ATOM 809 C GLU A 50 -5.597 -21.717 -0.304 1.00 0.00 C ATOM 810 O GLU A 50 -5.226 -22.540 0.526 1.00 0.00 O ATOM 811 CB GLU A 50 -7.764 -20.407 -0.054 1.00 0.00 C ATOM 812 CG GLU A 50 -8.490 -21.494 0.751 1.00 0.00 C ATOM 813 CD GLU A 50 -10.009 -21.458 0.502 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.478 -22.011 -0.520 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.757 -20.889 1.329 1.00 0.00 O ATOM 0 H GLU A 50 -6.338 -18.700 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.053 -20.351 1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.164 -19.430 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.968 -20.549 -1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.098 -22.474 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.291 -21.356 1.814 1.00 0.00 H new ATOM 822 N ASN A 51 -5.395 -21.895 -1.616 1.00 0.00 N ATOM 823 CA ASN A 51 -4.812 -23.129 -2.156 1.00 0.00 C ATOM 824 C ASN A 51 -3.403 -23.379 -1.616 1.00 0.00 C ATOM 825 O ASN A 51 -3.044 -24.520 -1.308 1.00 0.00 O ATOM 826 CB ASN A 51 -4.778 -23.085 -3.692 1.00 0.00 C ATOM 827 CG ASN A 51 -4.028 -24.288 -4.260 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.858 -24.186 -4.622 1.00 0.00 O ATOM 829 ND2 ASN A 51 -4.663 -25.445 -4.330 1.00 0.00 N ATOM 0 H ASN A 51 -5.627 -21.198 -2.324 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.449 -23.952 -1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.796 -23.070 -4.081 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.297 -22.164 -4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.182 -26.270 -4.688 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.634 -25.513 -4.025 1.00 0.00 H new ATOM 836 N ALA A 52 -2.609 -22.315 -1.488 1.00 0.00 N ATOM 837 CA ALA A 52 -1.265 -22.408 -0.944 1.00 0.00 C ATOM 838 C ALA A 52 -1.326 -22.792 0.527 1.00 0.00 C ATOM 839 O ALA A 52 -0.626 -23.712 0.945 1.00 0.00 O ATOM 840 CB ALA A 52 -0.522 -21.083 -1.137 1.00 0.00 C ATOM 0 H ALA A 52 -2.883 -21.371 -1.759 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.715 -23.183 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.484 -21.166 -0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.460 -20.852 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.060 -20.286 -0.623 1.00 0.00 H new ATOM 846 N LEU A 53 -2.180 -22.120 1.300 1.00 0.00 N ATOM 847 CA LEU A 53 -2.307 -22.372 2.728 1.00 0.00 C ATOM 848 C LEU A 53 -2.837 -23.786 2.994 1.00 0.00 C ATOM 849 O LEU A 53 -2.337 -24.457 3.895 1.00 0.00 O ATOM 850 CB LEU A 53 -3.207 -21.295 3.348 1.00 0.00 C ATOM 851 CG LEU A 53 -2.565 -19.893 3.363 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.620 -18.843 3.703 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.415 -19.787 4.371 1.00 0.00 C ATOM 0 H LEU A 53 -2.800 -21.389 0.951 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.325 -22.317 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.144 -21.251 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.455 -21.584 4.369 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.157 -19.719 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.160 -17.855 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.412 -18.868 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.042 -19.056 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.997 -18.781 4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.789 -19.996 5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.639 -20.509 4.115 1.00 0.00 H new ATOM 865 N GLN A 54 -3.784 -24.278 2.190 1.00 0.00 N ATOM 866 CA GLN A 54 -4.275 -25.647 2.266 1.00 0.00 C ATOM 867 C GLN A 54 -3.137 -26.632 1.991 1.00 0.00 C ATOM 868 O GLN A 54 -2.901 -27.526 2.800 1.00 0.00 O ATOM 869 CB GLN A 54 -5.412 -25.854 1.253 1.00 0.00 C ATOM 870 CG GLN A 54 -6.737 -25.212 1.685 1.00 0.00 C ATOM 871 CD GLN A 54 -7.825 -25.403 0.624 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.636 -25.130 -0.559 1.00 0.00 O ATOM 873 NE2 GLN A 54 -8.989 -25.899 1.015 1.00 0.00 N ATOM 0 H GLN A 54 -4.234 -23.725 1.460 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.659 -25.829 3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.112 -25.438 0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.566 -26.923 1.104 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.065 -25.651 2.627 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.585 -24.148 1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.143 -26.125 1.998 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.732 -26.055 0.333 1.00 0.00 H new ATOM 882 N SER A 55 -2.406 -26.466 0.886 1.00 0.00 N ATOM 883 CA SER A 55 -1.338 -27.395 0.518 1.00 0.00 C ATOM 884 C SER A 55 -0.233 -27.409 1.584 1.00 0.00 C ATOM 885 O SER A 55 0.301 -28.462 1.937 1.00 0.00 O ATOM 886 CB SER A 55 -0.759 -26.996 -0.845 1.00 0.00 C ATOM 887 OG SER A 55 -1.768 -26.881 -1.835 1.00 0.00 O ATOM 0 H SER A 55 -2.536 -25.695 0.231 1.00 0.00 H new ATOM 0 HA SER A 55 -1.754 -28.400 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.232 -26.046 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.025 -27.738 -1.159 1.00 0.00 H new ATOM 0 HG SER A 55 -2.256 -26.041 -1.708 1.00 0.00 H new ATOM 893 N PHE A 56 0.081 -26.235 2.132 1.00 0.00 N ATOM 894 CA PHE A 56 1.027 -26.072 3.217 1.00 0.00 C ATOM 895 C PHE A 56 0.553 -26.835 4.458 1.00 0.00 C ATOM 896 O PHE A 56 1.352 -27.560 5.047 1.00 0.00 O ATOM 897 CB PHE A 56 1.185 -24.573 3.466 1.00 0.00 C ATOM 898 CG PHE A 56 2.113 -24.167 4.588 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.504 -24.317 4.436 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.594 -23.543 5.738 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.372 -23.808 5.416 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.466 -23.022 6.707 1.00 0.00 C ATOM 903 CZ PHE A 56 3.854 -23.131 6.532 1.00 0.00 C ATOM 0 H PHE A 56 -0.330 -25.355 1.821 1.00 0.00 H new ATOM 0 HA PHE A 56 2.000 -26.492 2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.541 -24.110 2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.199 -24.156 3.672 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.903 -24.822 3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.526 -23.465 5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.439 -23.937 5.311 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.069 -22.538 7.587 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.525 -22.694 7.257 1.00 0.00 H new ATOM 913 N VAL A 57 -0.734 -26.757 4.821 1.00 0.00 N ATOM 914 CA VAL A 57 -1.288 -27.572 5.898 1.00 0.00 C ATOM 915 C VAL A 57 -1.071 -29.052 5.576 1.00 0.00 C ATOM 916 O VAL A 57 -0.561 -29.760 6.440 1.00 0.00 O ATOM 917 CB VAL A 57 -2.768 -27.216 6.178 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.501 -28.266 7.028 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.864 -25.883 6.929 1.00 0.00 C ATOM 0 H VAL A 57 -1.410 -26.133 4.379 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.761 -27.355 6.827 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.242 -27.166 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.533 -27.951 7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.489 -29.226 6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.002 -28.367 7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.911 -25.647 7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.332 -25.961 7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.417 -25.093 6.326 1.00 0.00 H new ATOM 929 N GLU A 58 -1.387 -29.520 4.359 1.00 0.00 N ATOM 930 CA GLU A 58 -1.240 -30.933 3.993 1.00 0.00 C ATOM 931 C GLU A 58 0.200 -31.413 4.205 1.00 0.00 C ATOM 932 O GLU A 58 0.424 -32.511 4.716 1.00 0.00 O ATOM 933 CB GLU A 58 -1.681 -31.218 2.545 1.00 0.00 C ATOM 934 CG GLU A 58 -3.174 -30.975 2.296 1.00 0.00 C ATOM 935 CD GLU A 58 -3.626 -31.572 0.951 1.00 0.00 C ATOM 936 OE1 GLU A 58 -3.453 -30.922 -0.105 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.177 -32.697 0.937 1.00 0.00 O ATOM 0 H GLU A 58 -1.749 -28.933 3.607 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.903 -31.490 4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.102 -30.590 1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.445 -32.253 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.756 -31.417 3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.376 -29.904 2.306 1.00 0.00 H new ATOM 944 N ALA A 59 1.174 -30.572 3.856 1.00 0.00 N ATOM 945 CA ALA A 59 2.587 -30.864 4.054 1.00 0.00 C ATOM 946 C ALA A 59 2.926 -30.936 5.547 1.00 0.00 C ATOM 947 O ALA A 59 3.598 -31.869 5.993 1.00 0.00 O ATOM 948 CB ALA A 59 3.446 -29.810 3.350 1.00 0.00 C ATOM 0 H ALA A 59 1.000 -29.664 3.425 1.00 0.00 H new ATOM 0 HA ALA A 59 2.805 -31.838 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.501 -30.038 3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.226 -29.815 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.224 -28.825 3.761 1.00 0.00 H new ATOM 954 N VAL A 60 2.435 -29.980 6.337 1.00 0.00 N ATOM 955 CA VAL A 60 2.641 -29.947 7.779 1.00 0.00 C ATOM 956 C VAL A 60 1.995 -31.167 8.457 1.00 0.00 C ATOM 957 O VAL A 60 2.529 -31.619 9.469 1.00 0.00 O ATOM 958 CB VAL A 60 2.166 -28.586 8.338 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.228 -28.522 9.868 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.061 -27.442 7.825 1.00 0.00 C ATOM 0 H VAL A 60 1.878 -29.201 5.987 1.00 0.00 H new ATOM 0 HA VAL A 60 3.704 -30.026 8.008 1.00 0.00 H new ATOM 0 HB VAL A 60 1.135 -28.480 8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.883 -27.545 10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.590 -29.298 10.291 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.255 -28.678 10.197 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.708 -26.494 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.089 -27.613 8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.020 -27.408 6.736 1.00 0.00 H new ATOM 970 N LYS A 61 0.923 -31.767 7.908 1.00 0.00 N ATOM 971 CA LYS A 61 0.376 -33.009 8.465 1.00 0.00 C ATOM 972 C LYS A 61 1.426 -34.119 8.458 1.00 0.00 C ATOM 973 O LYS A 61 1.459 -34.922 9.389 1.00 0.00 O ATOM 974 CB LYS A 61 -0.873 -33.527 7.728 1.00 0.00 C ATOM 975 CG LYS A 61 -2.010 -32.523 7.527 1.00 0.00 C ATOM 976 CD LYS A 61 -3.288 -33.222 7.042 1.00 0.00 C ATOM 977 CE LYS A 61 -4.418 -32.201 6.845 1.00 0.00 C ATOM 978 NZ LYS A 61 -5.690 -32.845 6.430 1.00 0.00 N ATOM 0 H LYS A 61 0.427 -31.414 7.090 1.00 0.00 H new ATOM 0 HA LYS A 61 0.082 -32.754 9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.564 -33.894 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.265 -34.381 8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.210 -32.003 8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.708 -31.768 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.092 -33.742 6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.594 -33.977 7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.576 -31.653 7.774 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.119 -31.472 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.424 -32.118 6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.548 -33.347 5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.991 -33.522 7.160 1.00 0.00 H new ATOM 992 N ASN A 62 2.263 -34.192 7.416 1.00 0.00 N ATOM 993 CA ASN A 62 3.337 -35.174 7.349 1.00 0.00 C ATOM 994 C ASN A 62 4.482 -34.775 8.276 1.00 0.00 C ATOM 995 O ASN A 62 5.036 -35.619 8.981 1.00 0.00 O ATOM 996 CB ASN A 62 3.862 -35.327 5.914 1.00 0.00 C ATOM 997 CG ASN A 62 4.828 -36.507 5.823 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.407 -37.647 5.650 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.126 -36.282 5.933 1.00 0.00 N ATOM 0 H ASN A 62 2.211 -33.575 6.605 1.00 0.00 H new ATOM 0 HA ASN A 62 2.930 -36.132 7.671 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.028 -35.478 5.229 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.366 -34.411 5.605 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.785 -37.058 5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.469 -35.332 6.077 1.00 0.00 H new ATOM 1006 N GLY A 63 4.825 -33.486 8.272 1.00 0.00 N ATOM 1007 CA GLY A 63 6.036 -32.983 8.902 1.00 0.00 C ATOM 1008 C GLY A 63 7.265 -33.336 8.065 1.00 0.00 C ATOM 1009 O GLY A 63 7.142 -33.859 6.951 1.00 0.00 O ATOM 0 H GLY A 63 4.263 -32.760 7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.968 -31.902 9.020 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.136 -33.407 9.901 1.00 0.00 H new ATOM 1013 N SER A 64 8.452 -33.037 8.591 1.00 0.00 N ATOM 1014 CA SER A 64 9.717 -33.349 7.932 1.00 0.00 C ATOM 1015 C SER A 64 9.869 -34.870 7.744 1.00 0.00 C ATOM 1016 O SER A 64 9.251 -35.641 8.486 1.00 0.00 O ATOM 1017 CB SER A 64 10.909 -32.778 8.726 1.00 0.00 C ATOM 1018 OG SER A 64 10.521 -31.864 9.737 1.00 0.00 O ATOM 0 H SER A 64 8.562 -32.569 9.491 1.00 0.00 H new ATOM 0 HA SER A 64 9.711 -32.879 6.949 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.461 -33.600 9.181 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.591 -32.279 8.037 1.00 0.00 H new ATOM 0 HG SER A 64 10.189 -32.359 10.515 1.00 0.00 H new ATOM 1024 N PRO A 65 10.737 -35.335 6.824 1.00 0.00 N ATOM 1025 CA PRO A 65 11.050 -36.756 6.666 1.00 0.00 C ATOM 1026 C PRO A 65 11.469 -37.447 7.973 1.00 0.00 C ATOM 1027 O PRO A 65 11.186 -38.629 8.171 1.00 0.00 O ATOM 1028 CB PRO A 65 12.177 -36.815 5.628 1.00 0.00 C ATOM 1029 CG PRO A 65 11.974 -35.545 4.806 1.00 0.00 C ATOM 1030 CD PRO A 65 11.457 -34.543 5.836 1.00 0.00 C ATOM 0 HA PRO A 65 10.159 -37.298 6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.158 -36.833 6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.106 -37.709 5.009 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.904 -35.208 4.348 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.258 -35.698 3.998 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.279 -33.994 6.296 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.802 -33.806 5.372 1.00 0.00 H new ATOM 1038 N PHE A 66 12.139 -36.705 8.861 1.00 0.00 N ATOM 1039 CA PHE A 66 12.652 -37.198 10.137 1.00 0.00 C ATOM 1040 C PHE A 66 11.627 -37.082 11.274 1.00 0.00 C ATOM 1041 O PHE A 66 11.905 -37.554 12.378 1.00 0.00 O ATOM 1042 CB PHE A 66 13.929 -36.418 10.493 1.00 0.00 C ATOM 1043 CG PHE A 66 14.973 -36.388 9.390 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.660 -37.565 9.034 1.00 0.00 C ATOM 1045 CD2 PHE A 66 15.239 -35.190 8.696 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.603 -37.545 7.991 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.182 -35.172 7.653 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.863 -36.349 7.298 1.00 0.00 C ATOM 0 H PHE A 66 12.343 -35.718 8.705 1.00 0.00 H new ATOM 0 HA PHE A 66 12.870 -38.260 10.023 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.656 -35.394 10.746 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.373 -36.859 11.385 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.462 -38.485 9.563 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.717 -34.284 8.966 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.128 -38.449 7.722 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.383 -34.252 7.124 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.585 -36.335 6.495 1.00 0.00 H new ATOM 1058 N SER A 67 10.481 -36.437 11.048 1.00 0.00 N ATOM 1059 CA SER A 67 9.450 -36.192 12.048 1.00 0.00 C ATOM 1060 C SER A 67 8.410 -37.318 12.042 1.00 0.00 C ATOM 1061 O SER A 67 8.346 -38.126 11.110 1.00 0.00 O ATOM 1062 CB SER A 67 8.768 -34.853 11.728 1.00 0.00 C ATOM 1063 OG SER A 67 9.731 -33.855 11.422 1.00 0.00 O ATOM 0 H SER A 67 10.241 -36.060 10.131 1.00 0.00 H new ATOM 0 HA SER A 67 9.907 -36.158 13.037 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.088 -34.979 10.885 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.166 -34.534 12.579 1.00 0.00 H new ATOM 0 HG SER A 67 10.596 -34.106 11.808 1.00 0.00 H new ATOM 1069 N LYS A 68 7.546 -37.334 13.061 1.00 0.00 N ATOM 1070 CA LYS A 68 6.316 -38.117 13.090 1.00 0.00 C ATOM 1071 C LYS A 68 5.290 -37.288 13.852 1.00 0.00 C ATOM 1072 O LYS A 68 5.282 -37.272 15.083 1.00 0.00 O ATOM 1073 CB LYS A 68 6.573 -39.519 13.683 1.00 0.00 C ATOM 1074 CG LYS A 68 5.418 -40.507 13.431 1.00 0.00 C ATOM 1075 CD LYS A 68 4.334 -40.488 14.522 1.00 0.00 C ATOM 1076 CE LYS A 68 3.096 -41.315 14.144 1.00 0.00 C ATOM 1077 NZ LYS A 68 2.304 -40.692 13.052 1.00 0.00 N ATOM 0 H LYS A 68 7.690 -36.787 13.909 1.00 0.00 H new ATOM 0 HA LYS A 68 5.927 -38.317 12.091 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.489 -39.925 13.255 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.736 -39.428 14.757 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.957 -40.275 12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.825 -41.515 13.354 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.753 -40.874 15.451 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.033 -39.458 14.711 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.410 -42.312 13.836 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.463 -41.437 15.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.359 -41.126 13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.210 -39.672 13.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.787 -40.842 12.143 1.00 0.00 H new ATOM 1091 N VAL A 69 4.465 -36.550 13.117 1.00 0.00 N ATOM 1092 CA VAL A 69 3.332 -35.814 13.668 1.00 0.00 C ATOM 1093 C VAL A 69 2.342 -36.831 14.252 1.00 0.00 C ATOM 1094 O VAL A 69 2.162 -37.916 13.688 1.00 0.00 O ATOM 1095 CB VAL A 69 2.707 -34.964 12.539 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.456 -34.193 12.982 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.724 -33.954 11.977 1.00 0.00 C ATOM 0 H VAL A 69 4.566 -36.445 12.107 1.00 0.00 H new ATOM 0 HA VAL A 69 3.632 -35.136 14.467 1.00 0.00 H new ATOM 0 HB VAL A 69 2.413 -35.679 11.770 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.067 -33.617 12.142 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.696 -34.897 13.322 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.715 -33.517 13.797 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.257 -33.370 11.184 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.053 -33.287 12.774 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.584 -34.489 11.574 1.00 0.00 H new ATOM 1107 N THR A 70 1.672 -36.475 15.347 1.00 0.00 N ATOM 1108 CA THR A 70 0.617 -37.274 15.962 1.00 0.00 C ATOM 1109 C THR A 70 -0.691 -36.478 16.069 1.00 0.00 C ATOM 1110 O THR A 70 -1.763 -37.083 16.131 1.00 0.00 O ATOM 1111 CB THR A 70 1.091 -37.796 17.332 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.457 -36.729 18.185 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.317 -38.707 17.200 1.00 0.00 C ATOM 0 H THR A 70 1.853 -35.602 15.842 1.00 0.00 H new ATOM 0 HA THR A 70 0.406 -38.134 15.326 1.00 0.00 H new ATOM 0 HB THR A 70 0.252 -38.354 17.748 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.753 -37.087 19.048 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.620 -39.054 18.188 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.068 -39.564 16.575 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.136 -38.151 16.744 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.633 -35.140 16.045 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.806 -34.267 16.065 1.00 0.00 C ATOM 1123 C ASP A 71 -1.455 -32.927 15.418 1.00 0.00 C ATOM 1124 O ASP A 71 -0.292 -32.513 15.425 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.284 -34.051 17.510 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.529 -33.151 17.576 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.494 -33.398 16.819 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.554 -32.213 18.402 1.00 0.00 O ATOM 0 H ASP A 71 0.249 -34.628 16.011 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.612 -34.737 15.502 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.509 -35.015 17.965 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.481 -33.602 18.094 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.455 -32.249 14.859 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.327 -30.970 14.175 1.00 0.00 C ATOM 1135 C ILE A 72 -3.658 -30.223 14.345 1.00 0.00 C ATOM 1136 O ILE A 72 -4.724 -30.850 14.352 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.923 -31.201 12.692 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.672 -29.858 11.970 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.922 -32.090 11.920 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.194 -30.005 10.520 1.00 0.00 C ATOM 0 H ILE A 72 -3.415 -32.593 14.872 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.535 -30.354 14.601 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.986 -31.757 12.708 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.593 -29.275 11.980 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.929 -29.290 12.530 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.581 -32.212 10.892 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.985 -33.067 12.399 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.905 -31.620 11.923 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.041 -29.017 10.085 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.255 -30.559 10.501 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.945 -30.543 9.942 1.00 0.00 H new ATOM 1152 N SER A 73 -3.601 -28.896 14.453 1.00 0.00 N ATOM 1153 CA SER A 73 -4.755 -28.014 14.588 1.00 0.00 C ATOM 1154 C SER A 73 -4.515 -26.772 13.730 1.00 0.00 C ATOM 1155 O SER A 73 -3.363 -26.379 13.529 1.00 0.00 O ATOM 1156 CB SER A 73 -4.943 -27.620 16.062 1.00 0.00 C ATOM 1157 OG SER A 73 -5.067 -28.759 16.901 1.00 0.00 O ATOM 0 H SER A 73 -2.716 -28.389 14.448 1.00 0.00 H new ATOM 0 HA SER A 73 -5.659 -28.522 14.254 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.094 -27.019 16.389 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.832 -26.997 16.161 1.00 0.00 H new ATOM 0 HG SER A 73 -5.183 -28.470 17.830 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.588 -26.152 13.233 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.534 -25.014 12.319 1.00 0.00 C ATOM 1165 C VAL A 74 -6.618 -24.010 12.737 1.00 0.00 C ATOM 1166 O VAL A 74 -7.705 -24.404 13.170 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.724 -25.488 10.854 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.506 -24.345 9.847 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.776 -26.637 10.468 1.00 0.00 C ATOM 0 H VAL A 74 -6.540 -26.436 13.462 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.559 -24.529 12.371 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.754 -25.841 10.808 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.649 -24.721 8.834 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.222 -23.547 10.042 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.493 -23.957 9.951 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.956 -26.925 9.432 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.743 -26.309 10.579 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.957 -27.492 11.119 1.00 0.00 H new ATOM 1179 N THR A 75 -6.325 -22.721 12.572 1.00 0.00 N ATOM 1180 CA THR A 75 -7.247 -21.595 12.711 1.00 0.00 C ATOM 1181 C THR A 75 -6.964 -20.660 11.522 1.00 0.00 C ATOM 1182 O THR A 75 -5.896 -20.757 10.912 1.00 0.00 O ATOM 1183 CB THR A 75 -7.022 -20.899 14.074 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.826 -21.835 15.122 1.00 0.00 O ATOM 1185 CG2 THR A 75 -8.196 -20.002 14.487 1.00 0.00 C ATOM 0 H THR A 75 -5.384 -22.417 12.323 1.00 0.00 H new ATOM 0 HA THR A 75 -8.291 -21.908 12.696 1.00 0.00 H new ATOM 0 HB THR A 75 -6.129 -20.292 13.927 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.686 -21.357 15.966 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.980 -19.541 15.451 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.341 -19.224 13.737 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.102 -20.602 14.567 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.883 -19.759 11.166 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.727 -18.880 10.008 1.00 0.00 C ATOM 1195 C GLU A 76 -8.432 -17.536 10.223 1.00 0.00 C ATOM 1196 O GLU A 76 -9.300 -17.414 11.095 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.227 -19.591 8.734 1.00 0.00 C ATOM 1198 CG GLU A 76 -9.740 -19.858 8.730 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.175 -20.658 7.491 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.519 -20.043 6.456 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.224 -21.908 7.554 1.00 0.00 O ATOM 0 H GLU A 76 -8.756 -19.619 11.674 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.667 -18.659 9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.972 -18.984 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.699 -20.539 8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.015 -20.406 9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.277 -18.910 8.757 1.00 0.00 H new ATOM 1208 N SER A 77 -8.069 -16.549 9.401 1.00 0.00 N ATOM 1209 CA SER A 77 -8.581 -15.184 9.403 1.00 0.00 C ATOM 1210 C SER A 77 -8.540 -14.646 7.968 1.00 0.00 C ATOM 1211 O SER A 77 -7.642 -14.997 7.196 1.00 0.00 O ATOM 1212 CB SER A 77 -7.693 -14.296 10.296 1.00 0.00 C ATOM 1213 OG SER A 77 -7.542 -14.822 11.608 1.00 0.00 O ATOM 0 H SER A 77 -7.368 -16.694 8.674 1.00 0.00 H new ATOM 0 HA SER A 77 -9.602 -15.174 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.711 -14.190 9.835 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.127 -13.298 10.356 1.00 0.00 H new ATOM 0 HG SER A 77 -6.970 -14.226 12.136 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.483 -13.767 7.605 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.384 -13.006 6.357 1.00 0.00 C ATOM 1221 C ARG A 78 -8.303 -11.934 6.482 1.00 0.00 C ATOM 1222 O ARG A 78 -7.568 -11.707 5.520 1.00 0.00 O ATOM 1223 CB ARG A 78 -10.755 -12.405 5.985 1.00 0.00 C ATOM 1224 CG ARG A 78 -10.733 -11.440 4.784 1.00 0.00 C ATOM 1225 CD ARG A 78 -10.156 -12.055 3.500 1.00 0.00 C ATOM 1226 NE ARG A 78 -10.011 -11.043 2.439 1.00 0.00 N ATOM 1227 CZ ARG A 78 -8.967 -10.218 2.268 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -7.907 -10.267 3.073 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -8.994 -9.330 1.280 1.00 0.00 N ATOM 0 H ARG A 78 -10.318 -13.567 8.156 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.093 -13.675 5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.446 -13.219 5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.151 -11.875 6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.749 -11.099 4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.147 -10.560 5.049 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.185 -12.503 3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.808 -12.857 3.154 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.777 -10.962 1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.878 -10.941 3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.124 -9.630 2.925 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.803 -9.280 0.661 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.206 -8.698 1.141 1.00 0.00 H new ATOM 1243 N SER A 79 -8.220 -11.269 7.633 1.00 0.00 N ATOM 1244 CA SER A 79 -7.185 -10.300 7.935 1.00 0.00 C ATOM 1245 C SER A 79 -5.823 -10.995 7.903 1.00 0.00 C ATOM 1246 O SER A 79 -5.702 -12.154 8.305 1.00 0.00 O ATOM 1247 CB SER A 79 -7.458 -9.690 9.316 1.00 0.00 C ATOM 1248 OG SER A 79 -8.816 -9.281 9.425 1.00 0.00 O ATOM 0 H SER A 79 -8.888 -11.396 8.393 1.00 0.00 H new ATOM 0 HA SER A 79 -7.183 -9.500 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.229 -10.419 10.093 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.801 -8.835 9.478 1.00 0.00 H new ATOM 0 HG SER A 79 -8.971 -8.896 10.313 1.00 0.00 H new ATOM 1254 N LEU A 80 -4.804 -10.270 7.452 1.00 0.00 N ATOM 1255 CA LEU A 80 -3.414 -10.704 7.399 1.00 0.00 C ATOM 1256 C LEU A 80 -2.513 -9.477 7.542 1.00 0.00 C ATOM 1257 O LEU A 80 -2.937 -8.357 7.245 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.105 -11.487 6.104 1.00 0.00 C ATOM 1259 CG LEU A 80 -3.073 -10.693 4.778 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -2.299 -11.502 3.731 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.474 -10.400 4.226 1.00 0.00 C ATOM 0 H LEU A 80 -4.931 -9.322 7.098 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.223 -11.393 8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.137 -11.973 6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.848 -12.278 6.004 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.591 -9.738 4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.271 -10.949 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.281 -11.672 4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.793 -12.461 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.388 -9.841 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.995 -11.339 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.036 -9.812 4.952 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.273 -9.683 7.979 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.269 -8.632 8.088 1.00 0.00 C ATOM 1275 C GLU A 81 0.301 -8.302 6.704 1.00 0.00 C ATOM 1276 O GLU A 81 0.634 -7.147 6.431 1.00 0.00 O ATOM 1277 CB GLU A 81 0.866 -9.077 9.029 1.00 0.00 C ATOM 1278 CG GLU A 81 0.414 -9.367 10.470 1.00 0.00 C ATOM 1279 CD GLU A 81 -0.196 -8.132 11.159 1.00 0.00 C ATOM 1280 OE1 GLU A 81 0.555 -7.199 11.525 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -1.429 -8.089 11.368 1.00 0.00 O ATOM 0 H GLU A 81 -0.934 -10.600 8.271 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.741 -7.740 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.332 -9.973 8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.631 -8.301 9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.320 -10.173 10.462 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.267 -9.718 11.051 1.00 0.00 H new ATOM 1288 N GLY A 82 0.400 -9.307 5.829 1.00 0.00 N ATOM 1289 CA GLY A 82 1.117 -9.206 4.568 1.00 0.00 C ATOM 1290 C GLY A 82 2.619 -9.211 4.849 1.00 0.00 C ATOM 1291 O GLY A 82 3.325 -8.297 4.415 1.00 0.00 O ATOM 0 H GLY A 82 -0.023 -10.222 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.853 -10.039 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.834 -8.292 4.046 1.00 0.00 H new ATOM 1295 N HIS A 83 3.083 -10.177 5.654 1.00 0.00 N ATOM 1296 CA HIS A 83 4.459 -10.247 6.141 1.00 0.00 C ATOM 1297 C HIS A 83 5.477 -10.217 4.985 1.00 0.00 C ATOM 1298 O HIS A 83 5.195 -10.670 3.873 1.00 0.00 O ATOM 1299 CB HIS A 83 4.635 -11.491 7.030 1.00 0.00 C ATOM 1300 CG HIS A 83 5.863 -11.440 7.908 1.00 0.00 C ATOM 1301 ND1 HIS A 83 6.909 -12.336 7.915 1.00 0.00 N ATOM 1302 CD2 HIS A 83 6.142 -10.494 8.861 1.00 0.00 C ATOM 1303 CE1 HIS A 83 7.794 -11.938 8.845 1.00 0.00 C ATOM 1304 NE2 HIS A 83 7.374 -10.810 9.446 1.00 0.00 N ATOM 0 H HIS A 83 2.498 -10.943 5.988 1.00 0.00 H new ATOM 0 HA HIS A 83 4.658 -9.362 6.745 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.753 -11.604 7.660 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.689 -12.376 6.395 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.997 -13.159 7.318 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.518 -9.650 9.116 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.715 -12.452 9.078 1.00 0.00 H new ATOM 1312 N HIS A 84 6.676 -9.691 5.253 1.00 0.00 N ATOM 1313 CA HIS A 84 7.686 -9.433 4.224 1.00 0.00 C ATOM 1314 C HIS A 84 8.411 -10.705 3.754 1.00 0.00 C ATOM 1315 O HIS A 84 9.036 -10.695 2.691 1.00 0.00 O ATOM 1316 CB HIS A 84 8.710 -8.421 4.763 1.00 0.00 C ATOM 1317 CG HIS A 84 8.098 -7.124 5.239 1.00 0.00 C ATOM 1318 ND1 HIS A 84 7.409 -6.210 4.469 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.113 -6.639 6.520 1.00 0.00 C ATOM 1320 CE1 HIS A 84 7.019 -5.203 5.269 1.00 0.00 C ATOM 1321 NE2 HIS A 84 7.425 -5.418 6.535 1.00 0.00 N ATOM 0 H HIS A 84 6.974 -9.431 6.193 1.00 0.00 H new ATOM 0 HA HIS A 84 7.165 -9.032 3.355 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.257 -8.877 5.588 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.437 -8.203 3.980 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.575 -7.115 7.372 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.458 -4.340 4.942 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.264 -4.814 7.341 1.00 0.00 H new ATOM 1329 N ARG A 85 8.370 -11.784 4.542 1.00 0.00 N ATOM 1330 CA ARG A 85 9.133 -13.021 4.339 1.00 0.00 C ATOM 1331 C ARG A 85 8.332 -14.183 4.922 1.00 0.00 C ATOM 1332 O ARG A 85 7.316 -13.947 5.585 1.00 0.00 O ATOM 1333 CB ARG A 85 10.471 -12.949 5.106 1.00 0.00 C ATOM 1334 CG ARG A 85 11.400 -11.761 4.799 1.00 0.00 C ATOM 1335 CD ARG A 85 12.713 -11.872 5.594 1.00 0.00 C ATOM 1336 NE ARG A 85 12.460 -12.028 7.040 1.00 0.00 N ATOM 1337 CZ ARG A 85 12.369 -11.064 7.961 1.00 0.00 C ATOM 1338 NH1 ARG A 85 12.694 -9.804 7.679 1.00 0.00 N ATOM 1339 NH2 ARG A 85 11.932 -11.394 9.170 1.00 0.00 N ATOM 0 H ARG A 85 7.780 -11.822 5.373 1.00 0.00 H new ATOM 0 HA ARG A 85 9.319 -13.156 3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.247 -12.935 6.173 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.023 -13.868 4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.618 -11.731 3.731 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.897 -10.827 5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.288 -12.723 5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.319 -10.982 5.424 1.00 0.00 H new ATOM 0 HE ARG A 85 12.341 -12.984 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.020 -9.558 6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.617 -9.084 8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.677 -12.360 9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.851 -10.681 9.895 1.00 0.00 H new ATOM 1353 N PHE A 86 8.842 -15.411 4.807 1.00 0.00 N ATOM 1354 CA PHE A 86 8.509 -16.474 5.746 1.00 0.00 C ATOM 1355 C PHE A 86 9.746 -16.731 6.610 1.00 0.00 C ATOM 1356 O PHE A 86 10.783 -17.132 6.074 1.00 0.00 O ATOM 1357 CB PHE A 86 8.009 -17.732 5.032 1.00 0.00 C ATOM 1358 CG PHE A 86 7.398 -18.698 6.026 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.227 -19.546 6.781 1.00 0.00 C ATOM 1360 CD2 PHE A 86 6.009 -18.703 6.252 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.673 -20.386 7.759 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.455 -19.527 7.244 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.289 -20.366 7.998 1.00 0.00 C ATOM 0 H PHE A 86 9.489 -15.690 4.069 1.00 0.00 H new ATOM 0 HA PHE A 86 7.680 -16.170 6.384 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.270 -17.460 4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.835 -18.213 4.509 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.293 -19.551 6.608 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.366 -18.069 5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.310 -21.047 8.327 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.391 -19.515 7.426 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.866 -20.998 8.764 1.00 0.00 H new ATOM 1373 N SER A 87 9.658 -16.490 7.924 1.00 0.00 N ATOM 1374 CA SER A 87 10.829 -16.440 8.806 1.00 0.00 C ATOM 1375 C SER A 87 10.788 -17.534 9.876 1.00 0.00 C ATOM 1376 O SER A 87 9.741 -17.824 10.450 1.00 0.00 O ATOM 1377 CB SER A 87 10.900 -15.063 9.478 1.00 0.00 C ATOM 1378 OG SER A 87 10.840 -14.023 8.512 1.00 0.00 O ATOM 0 H SER A 87 8.774 -16.324 8.405 1.00 0.00 H new ATOM 0 HA SER A 87 11.716 -16.610 8.196 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.077 -14.956 10.185 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.824 -14.980 10.050 1.00 0.00 H new ATOM 0 HG SER A 87 9.909 -13.881 8.241 1.00 0.00 H new ATOM 1384 N ILE A 88 11.940 -18.113 10.201 1.00 0.00 N ATOM 1385 CA ILE A 88 12.097 -18.886 11.433 1.00 0.00 C ATOM 1386 C ILE A 88 12.283 -17.853 12.553 1.00 0.00 C ATOM 1387 O ILE A 88 13.031 -16.885 12.388 1.00 0.00 O ATOM 1388 CB ILE A 88 13.279 -19.874 11.294 1.00 0.00 C ATOM 1389 CG1 ILE A 88 12.971 -20.919 10.192 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.567 -20.595 12.624 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.223 -21.604 9.633 1.00 0.00 C ATOM 0 H ILE A 88 12.782 -18.062 9.628 1.00 0.00 H new ATOM 0 HA ILE A 88 11.233 -19.511 11.658 1.00 0.00 H new ATOM 0 HB ILE A 88 14.163 -19.300 11.018 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.302 -21.678 10.598 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.439 -20.429 9.376 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.403 -21.282 12.492 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.818 -19.860 13.389 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.684 -21.154 12.934 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.933 -22.323 8.866 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.884 -20.855 9.197 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.744 -22.123 10.438 1.00 0.00 H new ATOM 1403 N VAL A 89 11.603 -18.045 13.682 1.00 0.00 N ATOM 1404 CA VAL A 89 11.663 -17.176 14.850 1.00 0.00 C ATOM 1405 C VAL A 89 11.633 -18.059 16.112 1.00 0.00 C ATOM 1406 O VAL A 89 11.513 -19.284 16.016 1.00 0.00 O ATOM 1407 CB VAL A 89 10.546 -16.106 14.725 1.00 0.00 C ATOM 1408 CG1 VAL A 89 9.132 -16.643 14.991 1.00 0.00 C ATOM 1409 CG2 VAL A 89 10.800 -14.868 15.596 1.00 0.00 C ATOM 0 H VAL A 89 10.974 -18.838 13.810 1.00 0.00 H new ATOM 0 HA VAL A 89 12.589 -16.606 14.925 1.00 0.00 H new ATOM 0 HB VAL A 89 10.591 -15.809 13.677 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.409 -15.834 14.884 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.902 -17.432 14.275 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.080 -17.045 16.003 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.984 -14.157 15.465 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.857 -15.165 16.643 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.739 -14.401 15.300 1.00 0.00 H new