USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 634 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 63 GLN : amide:sc= -0.577 X(o=-1,f=-0.64) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.461 K(o=-1,f=-2.4!) USER MOD Set 2.1: A 24 ASN : amide:sc= -0.58 X(o=0.14,f=-0.34) USER MOD Set 2.2: A 42 THR OG1 : rot 150:sc= 0.723 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 6.4e-05 USER MOD Single : A 3 ASN : amide:sc= 0.764 K(o=0.76,f=-6.9!) USER MOD Single : A 11 SER OG : rot -10:sc= 1.01 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 14 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.32) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -68:sc= 0.949 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 55 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.31) USER MOD Single : A 68 THR OG1 : rot -90:sc= 0.823 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= -0.015 (180deg=-0.144) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.988 21.625 -4.116 1.00 31.12 N ATOM 2 CA GLY A 1 5.313 20.327 -4.123 1.00 42.12 C ATOM 3 C GLY A 1 4.063 20.358 -3.278 1.00 63.22 C ATOM 4 O GLY A 1 4.102 20.796 -2.132 1.00 42.31 O ATOM 0 H1 GLY A 1 6.844 21.574 -4.705 1.00 31.12 H new ATOM 0 H2 GLY A 1 5.348 22.351 -4.497 1.00 31.12 H new ATOM 0 H3 GLY A 1 6.253 21.873 -3.141 1.00 31.12 H new ATOM 0 HA2 GLY A 1 5.057 20.053 -5.146 1.00 42.12 H new ATOM 0 HA3 GLY A 1 5.990 19.560 -3.748 1.00 42.12 H new ATOM 10 N THR A 2 2.953 19.907 -3.827 1.00 3.25 N ATOM 11 CA THR A 2 1.703 19.884 -3.089 1.00 45.23 C ATOM 12 C THR A 2 1.625 18.620 -2.229 1.00 43.24 C ATOM 13 O THR A 2 0.900 18.557 -1.222 1.00 40.12 O ATOM 14 CB THR A 2 0.498 19.959 -4.052 1.00 24.24 C ATOM 15 OG1 THR A 2 0.602 18.917 -5.038 1.00 42.23 O ATOM 16 CG2 THR A 2 0.439 21.314 -4.747 1.00 44.15 C ATOM 0 H THR A 2 2.889 19.551 -4.781 1.00 3.25 H new ATOM 0 HA THR A 2 1.669 20.756 -2.436 1.00 45.23 H new ATOM 0 HB THR A 2 -0.415 19.829 -3.471 1.00 24.24 H new ATOM 0 HG1 THR A 2 -0.164 18.965 -5.647 1.00 42.23 H new ATOM 0 HG21 THR A 2 -0.418 21.341 -5.420 1.00 44.15 H new ATOM 0 HG22 THR A 2 0.339 22.102 -4.000 1.00 44.15 H new ATOM 0 HG23 THR A 2 1.354 21.470 -5.319 1.00 44.15 H new ATOM 24 N ASN A 3 2.394 17.639 -2.629 1.00 11.22 N ATOM 25 CA ASN A 3 2.505 16.373 -1.948 1.00 24.02 C ATOM 26 C ASN A 3 3.965 15.940 -2.168 1.00 0.01 C ATOM 27 O ASN A 3 4.778 16.780 -2.576 1.00 32.20 O ATOM 28 CB ASN A 3 1.524 15.362 -2.597 1.00 53.12 C ATOM 29 CG ASN A 3 1.243 14.109 -1.761 1.00 12.01 C ATOM 30 OD1 ASN A 3 2.061 13.661 -0.965 1.00 51.21 O ATOM 31 ND2 ASN A 3 0.083 13.538 -1.949 1.00 73.42 N ATOM 0 H ASN A 3 2.978 17.701 -3.463 1.00 11.22 H new ATOM 0 HA ASN A 3 2.259 16.430 -0.888 1.00 24.02 H new ATOM 0 HB2 ASN A 3 0.580 15.869 -2.794 1.00 53.12 H new ATOM 0 HB3 ASN A 3 1.927 15.055 -3.562 1.00 53.12 H new ATOM 0 HD21 ASN A 3 -0.162 12.697 -1.427 1.00 73.42 H new ATOM 0 HD22 ASN A 3 -0.578 13.933 -2.618 1.00 73.42 H new ATOM 38 N ASP A 4 4.301 14.692 -1.882 1.00 41.45 N ATOM 39 CA ASP A 4 5.660 14.108 -2.094 1.00 24.14 C ATOM 40 C ASP A 4 6.661 14.555 -1.029 1.00 4.34 C ATOM 41 O ASP A 4 7.639 13.866 -0.743 1.00 60.54 O ATOM 42 CB ASP A 4 6.192 14.359 -3.522 1.00 51.34 C ATOM 43 CG ASP A 4 7.523 13.693 -3.794 1.00 3.44 C ATOM 44 OD1 ASP A 4 7.533 12.500 -4.158 1.00 44.11 O ATOM 45 OD2 ASP A 4 8.569 14.352 -3.691 1.00 31.31 O ATOM 0 H ASP A 4 3.638 14.025 -1.487 1.00 41.45 H new ATOM 0 HA ASP A 4 5.545 13.030 -1.984 1.00 24.14 H new ATOM 0 HB2 ASP A 4 5.459 13.997 -4.243 1.00 51.34 H new ATOM 0 HB3 ASP A 4 6.292 15.433 -3.681 1.00 51.34 H new ATOM 50 N ALA A 5 6.392 15.699 -0.415 1.00 41.51 N ATOM 51 CA ALA A 5 7.203 16.213 0.698 1.00 40.24 C ATOM 52 C ALA A 5 6.879 15.425 1.961 1.00 11.55 C ATOM 53 O ALA A 5 7.499 15.580 3.014 1.00 63.32 O ATOM 54 CB ALA A 5 6.935 17.695 0.909 1.00 44.02 C ATOM 0 H ALA A 5 5.609 16.301 -0.668 1.00 41.51 H new ATOM 0 HA ALA A 5 8.260 16.092 0.461 1.00 40.24 H new ATOM 0 HB1 ALA A 5 7.543 18.060 1.737 1.00 44.02 H new ATOM 0 HB2 ALA A 5 7.189 18.243 0.002 1.00 44.02 H new ATOM 0 HB3 ALA A 5 5.880 17.845 1.140 1.00 44.02 H new ATOM 60 N GLU A 6 5.917 14.596 1.817 1.00 72.52 N ATOM 61 CA GLU A 6 5.426 13.718 2.814 1.00 71.34 C ATOM 62 C GLU A 6 5.170 12.384 2.126 1.00 62.52 C ATOM 63 O GLU A 6 4.560 12.344 1.057 1.00 32.40 O ATOM 64 CB GLU A 6 4.158 14.326 3.444 1.00 11.13 C ATOM 65 CG GLU A 6 3.074 14.692 2.433 1.00 75.11 C ATOM 66 CD GLU A 6 1.961 15.496 3.044 1.00 51.14 C ATOM 67 OE1 GLU A 6 1.042 14.919 3.630 1.00 13.21 O ATOM 68 OE2 GLU A 6 1.996 16.755 2.933 1.00 54.32 O ATOM 0 H GLU A 6 5.413 14.505 0.935 1.00 72.52 H new ATOM 0 HA GLU A 6 6.131 13.567 3.631 1.00 71.34 H new ATOM 0 HB2 GLU A 6 3.746 13.617 4.162 1.00 11.13 H new ATOM 0 HB3 GLU A 6 4.436 15.220 4.003 1.00 11.13 H new ATOM 0 HG2 GLU A 6 3.521 15.259 1.616 1.00 75.11 H new ATOM 0 HG3 GLU A 6 2.663 13.780 2.000 1.00 75.11 H new ATOM 75 N ASP A 7 5.695 11.324 2.685 1.00 50.22 N ATOM 76 CA ASP A 7 5.574 10.004 2.061 1.00 72.34 C ATOM 77 C ASP A 7 4.358 9.304 2.555 1.00 2.13 C ATOM 78 O ASP A 7 3.887 8.343 1.936 1.00 1.22 O ATOM 79 CB ASP A 7 6.812 9.130 2.301 1.00 51.31 C ATOM 80 CG ASP A 7 6.955 8.672 3.737 1.00 62.31 C ATOM 81 OD1 ASP A 7 7.247 9.508 4.605 1.00 34.23 O ATOM 82 OD2 ASP A 7 6.812 7.471 4.005 1.00 53.54 O ATOM 0 H ASP A 7 6.210 11.334 3.565 1.00 50.22 H new ATOM 0 HA ASP A 7 5.489 10.168 0.987 1.00 72.34 H new ATOM 0 HB2 ASP A 7 6.762 8.256 1.652 1.00 51.31 H new ATOM 0 HB3 ASP A 7 7.703 9.689 2.015 1.00 51.31 H new ATOM 87 N CYS A 8 3.838 9.769 3.659 1.00 72.23 N ATOM 88 CA CYS A 8 2.652 9.196 4.166 1.00 41.10 C ATOM 89 C CYS A 8 1.445 9.810 3.507 1.00 0.34 C ATOM 90 O CYS A 8 1.559 10.802 2.773 1.00 21.11 O ATOM 91 CB CYS A 8 2.581 9.152 5.709 1.00 65.43 C ATOM 92 SG CYS A 8 2.702 10.739 6.597 1.00 73.55 S ATOM 0 H CYS A 8 4.223 10.536 4.210 1.00 72.23 H new ATOM 0 HA CYS A 8 2.662 8.140 3.895 1.00 41.10 H new ATOM 0 HB2 CYS A 8 1.640 8.679 5.990 1.00 65.43 H new ATOM 0 HB3 CYS A 8 3.382 8.504 6.065 1.00 65.43 H new ATOM 97 N CYS A 9 0.320 9.226 3.746 1.00 3.34 N ATOM 98 CA CYS A 9 -0.892 9.559 3.063 1.00 5.43 C ATOM 99 C CYS A 9 -1.365 10.965 3.230 1.00 12.44 C ATOM 100 O CYS A 9 -1.172 11.595 4.257 1.00 2.34 O ATOM 101 CB CYS A 9 -1.961 8.591 3.446 1.00 31.50 C ATOM 102 SG CYS A 9 -1.504 6.921 2.973 1.00 43.33 S ATOM 0 H CYS A 9 0.211 8.485 4.438 1.00 3.34 H new ATOM 0 HA CYS A 9 -0.658 9.483 2.001 1.00 5.43 H new ATOM 0 HB2 CYS A 9 -2.131 8.636 4.522 1.00 31.50 H new ATOM 0 HB3 CYS A 9 -2.899 8.867 2.963 1.00 31.50 H new ATOM 107 N LEU A 10 -1.955 11.457 2.183 1.00 33.10 N ATOM 108 CA LEU A 10 -2.596 12.715 2.212 1.00 62.24 C ATOM 109 C LEU A 10 -4.036 12.423 2.602 1.00 42.04 C ATOM 110 O LEU A 10 -4.541 12.948 3.589 1.00 13.45 O ATOM 111 CB LEU A 10 -2.487 13.393 0.807 1.00 1.13 C ATOM 112 CG LEU A 10 -2.939 14.876 0.662 1.00 31.24 C ATOM 113 CD1 LEU A 10 -2.593 15.392 -0.723 1.00 4.12 C ATOM 114 CD2 LEU A 10 -4.429 15.044 0.893 1.00 21.51 C ATOM 0 H LEU A 10 -1.999 10.983 1.281 1.00 33.10 H new ATOM 0 HA LEU A 10 -2.143 13.409 2.920 1.00 62.24 H new ATOM 0 HB2 LEU A 10 -1.446 13.331 0.488 1.00 1.13 H new ATOM 0 HB3 LEU A 10 -3.071 12.798 0.105 1.00 1.13 H new ATOM 0 HG LEU A 10 -2.409 15.449 1.423 1.00 31.24 H new ATOM 0 HD11 LEU A 10 -2.913 16.430 -0.815 1.00 4.12 H new ATOM 0 HD12 LEU A 10 -1.516 15.329 -0.876 1.00 4.12 H new ATOM 0 HD13 LEU A 10 -3.102 14.788 -1.474 1.00 4.12 H new ATOM 0 HD21 LEU A 10 -4.698 16.094 0.782 1.00 21.51 H new ATOM 0 HD22 LEU A 10 -4.980 14.449 0.164 1.00 21.51 H new ATOM 0 HD23 LEU A 10 -4.681 14.710 1.899 1.00 21.51 H new ATOM 126 N SER A 11 -4.680 11.530 1.841 1.00 34.22 N ATOM 127 CA SER A 11 -6.054 11.113 2.086 1.00 63.12 C ATOM 128 C SER A 11 -6.329 9.856 1.272 1.00 25.10 C ATOM 129 O SER A 11 -5.455 9.418 0.501 1.00 41.14 O ATOM 130 CB SER A 11 -7.059 12.225 1.684 1.00 14.35 C ATOM 131 OG SER A 11 -6.881 13.403 2.462 1.00 30.15 O ATOM 0 H SER A 11 -4.253 11.077 1.033 1.00 34.22 H new ATOM 0 HA SER A 11 -6.181 10.917 3.151 1.00 63.12 H new ATOM 0 HB2 SER A 11 -6.934 12.464 0.628 1.00 14.35 H new ATOM 0 HB3 SER A 11 -8.077 11.857 1.809 1.00 14.35 H new ATOM 0 HG SER A 11 -6.270 13.215 3.205 1.00 30.15 H new ATOM 137 N VAL A 12 -7.493 9.270 1.451 1.00 74.13 N ATOM 138 CA VAL A 12 -7.909 8.140 0.661 1.00 61.41 C ATOM 139 C VAL A 12 -9.355 8.407 0.256 1.00 70.42 C ATOM 140 O VAL A 12 -10.046 9.202 0.915 1.00 3.23 O ATOM 141 CB VAL A 12 -7.837 6.755 1.447 1.00 63.24 C ATOM 142 CG1 VAL A 12 -6.596 6.632 2.303 1.00 42.31 C ATOM 143 CG2 VAL A 12 -9.098 6.409 2.230 1.00 12.11 C ATOM 0 H VAL A 12 -8.175 9.566 2.149 1.00 74.13 H new ATOM 0 HA VAL A 12 -7.235 8.040 -0.190 1.00 61.41 H new ATOM 0 HB VAL A 12 -7.767 6.004 0.661 1.00 63.24 H new ATOM 0 HG11 VAL A 12 -6.601 5.669 2.814 1.00 42.31 H new ATOM 0 HG12 VAL A 12 -5.710 6.703 1.672 1.00 42.31 H new ATOM 0 HG13 VAL A 12 -6.582 7.435 3.040 1.00 42.31 H new ATOM 0 HG21 VAL A 12 -8.962 5.452 2.734 1.00 12.11 H new ATOM 0 HG22 VAL A 12 -9.291 7.185 2.971 1.00 12.11 H new ATOM 0 HG23 VAL A 12 -9.944 6.342 1.546 1.00 12.11 H new ATOM 153 N THR A 13 -9.809 7.792 -0.790 1.00 43.45 N ATOM 154 CA THR A 13 -11.196 7.924 -1.189 1.00 63.21 C ATOM 155 C THR A 13 -11.923 6.646 -0.745 1.00 1.04 C ATOM 156 O THR A 13 -11.266 5.763 -0.186 1.00 62.41 O ATOM 157 CB THR A 13 -11.337 8.201 -2.732 1.00 33.14 C ATOM 158 OG1 THR A 13 -12.712 8.359 -3.115 1.00 40.40 O ATOM 159 CG2 THR A 13 -10.708 7.108 -3.560 1.00 61.21 C ATOM 0 H THR A 13 -9.247 7.190 -1.392 1.00 43.45 H new ATOM 0 HA THR A 13 -11.652 8.789 -0.708 1.00 63.21 H new ATOM 0 HB THR A 13 -10.806 9.133 -2.926 1.00 33.14 H new ATOM 0 HG1 THR A 13 -12.766 8.531 -4.078 1.00 40.40 H new ATOM 0 HG21 THR A 13 -10.828 7.339 -4.619 1.00 61.21 H new ATOM 0 HG22 THR A 13 -9.647 7.036 -3.322 1.00 61.21 H new ATOM 0 HG23 THR A 13 -11.194 6.158 -3.338 1.00 61.21 H new ATOM 167 N GLN A 14 -13.252 6.551 -0.960 1.00 75.30 N ATOM 168 CA GLN A 14 -14.039 5.370 -0.534 1.00 33.20 C ATOM 169 C GLN A 14 -13.362 4.066 -0.936 1.00 51.34 C ATOM 170 O GLN A 14 -12.907 3.308 -0.085 1.00 43.12 O ATOM 171 CB GLN A 14 -15.467 5.419 -1.074 1.00 54.11 C ATOM 172 CG GLN A 14 -16.325 6.539 -0.512 1.00 22.31 C ATOM 173 CD GLN A 14 -16.467 6.464 0.996 1.00 15.45 C ATOM 174 OE1 GLN A 14 -15.679 7.051 1.739 1.00 31.14 O ATOM 175 NE2 GLN A 14 -17.445 5.734 1.462 1.00 65.13 N ATOM 0 H GLN A 14 -13.802 7.274 -1.424 1.00 75.30 H new ATOM 0 HA GLN A 14 -14.088 5.402 0.554 1.00 33.20 H new ATOM 0 HB2 GLN A 14 -15.427 5.521 -2.158 1.00 54.11 H new ATOM 0 HB3 GLN A 14 -15.953 4.467 -0.861 1.00 54.11 H new ATOM 0 HG2 GLN A 14 -15.887 7.499 -0.785 1.00 22.31 H new ATOM 0 HG3 GLN A 14 -17.314 6.498 -0.969 1.00 22.31 H new ATOM 0 HE21 GLN A 14 -18.080 5.261 0.819 1.00 65.13 H new ATOM 0 HE22 GLN A 14 -17.574 5.637 2.469 1.00 65.13 H new ATOM 184 N LYS A 15 -13.282 3.803 -2.210 1.00 22.45 N ATOM 185 CA LYS A 15 -12.544 2.661 -2.654 1.00 1.13 C ATOM 186 C LYS A 15 -11.623 3.074 -3.803 1.00 45.52 C ATOM 187 O LYS A 15 -12.012 3.034 -4.971 1.00 0.22 O ATOM 188 CB LYS A 15 -13.463 1.495 -3.023 1.00 21.25 C ATOM 189 CG LYS A 15 -12.707 0.219 -3.328 1.00 72.42 C ATOM 190 CD LYS A 15 -13.646 -0.964 -3.582 1.00 72.31 C ATOM 191 CE LYS A 15 -14.470 -1.321 -2.338 1.00 34.02 C ATOM 192 NZ LYS A 15 -15.396 -2.459 -2.576 1.00 11.00 N ATOM 0 H LYS A 15 -13.714 4.358 -2.949 1.00 22.45 H new ATOM 0 HA LYS A 15 -11.926 2.293 -1.835 1.00 1.13 H new ATOM 0 HB2 LYS A 15 -14.157 1.312 -2.202 1.00 21.25 H new ATOM 0 HB3 LYS A 15 -14.062 1.772 -3.891 1.00 21.25 H new ATOM 0 HG2 LYS A 15 -12.075 0.373 -4.203 1.00 72.42 H new ATOM 0 HG3 LYS A 15 -12.045 -0.017 -2.495 1.00 72.42 H new ATOM 0 HD2 LYS A 15 -14.318 -0.723 -4.405 1.00 72.31 H new ATOM 0 HD3 LYS A 15 -13.062 -1.831 -3.891 1.00 72.31 H new ATOM 0 HE2 LYS A 15 -13.796 -1.571 -1.519 1.00 34.02 H new ATOM 0 HE3 LYS A 15 -15.044 -0.449 -2.024 1.00 34.02 H new ATOM 0 HZ1 LYS A 15 -15.929 -2.661 -1.706 1.00 11.00 H new ATOM 0 HZ2 LYS A 15 -16.059 -2.214 -3.339 1.00 11.00 H new ATOM 0 HZ3 LYS A 15 -14.849 -3.300 -2.850 1.00 11.00 H new ATOM 206 N PRO A 16 -10.411 3.576 -3.447 1.00 32.43 N ATOM 207 CA PRO A 16 -9.420 4.126 -4.389 1.00 22.02 C ATOM 208 C PRO A 16 -9.100 3.318 -5.663 1.00 20.01 C ATOM 209 O PRO A 16 -9.629 3.621 -6.735 1.00 23.22 O ATOM 210 CB PRO A 16 -8.163 4.339 -3.531 1.00 14.21 C ATOM 211 CG PRO A 16 -8.461 3.681 -2.222 1.00 32.44 C ATOM 212 CD PRO A 16 -9.918 3.701 -2.064 1.00 52.14 C ATOM 0 HA PRO A 16 -9.840 5.029 -4.831 1.00 22.02 H new ATOM 0 HB2 PRO A 16 -7.286 3.897 -4.003 1.00 14.21 H new ATOM 0 HB3 PRO A 16 -7.953 5.400 -3.399 1.00 14.21 H new ATOM 0 HG2 PRO A 16 -8.084 2.658 -2.208 1.00 32.44 H new ATOM 0 HG3 PRO A 16 -7.975 4.211 -1.403 1.00 32.44 H new ATOM 0 HD2 PRO A 16 -10.266 2.880 -1.437 1.00 52.14 H new ATOM 0 HD3 PRO A 16 -10.259 4.625 -1.597 1.00 52.14 H new ATOM 220 N ILE A 17 -8.257 2.308 -5.562 1.00 61.11 N ATOM 221 CA ILE A 17 -7.784 1.609 -6.757 1.00 61.11 C ATOM 222 C ILE A 17 -7.741 0.105 -6.546 1.00 70.22 C ATOM 223 O ILE A 17 -7.704 -0.360 -5.408 1.00 63.15 O ATOM 224 CB ILE A 17 -6.349 2.098 -7.250 1.00 11.32 C ATOM 225 CG1 ILE A 17 -5.195 1.807 -6.230 1.00 25.11 C ATOM 226 CG2 ILE A 17 -6.356 3.569 -7.657 1.00 25.23 C ATOM 227 CD1 ILE A 17 -5.283 2.525 -4.894 1.00 34.34 C ATOM 0 H ILE A 17 -7.886 1.952 -4.681 1.00 61.11 H new ATOM 0 HA ILE A 17 -8.510 1.855 -7.532 1.00 61.11 H new ATOM 0 HB ILE A 17 -6.134 1.497 -8.134 1.00 11.32 H new ATOM 0 HG12 ILE A 17 -5.168 0.734 -6.041 1.00 25.11 H new ATOM 0 HG13 ILE A 17 -4.248 2.072 -6.700 1.00 25.11 H new ATOM 0 HG21 ILE A 17 -5.359 3.860 -7.986 1.00 25.23 H new ATOM 0 HG22 ILE A 17 -7.065 3.718 -8.472 1.00 25.23 H new ATOM 0 HG23 ILE A 17 -6.650 4.181 -6.804 1.00 25.23 H new ATOM 0 HD11 ILE A 17 -4.432 2.245 -4.274 1.00 34.34 H new ATOM 0 HD12 ILE A 17 -5.273 3.602 -5.059 1.00 34.34 H new ATOM 0 HD13 ILE A 17 -6.207 2.243 -4.390 1.00 34.34 H new ATOM 239 N PRO A 18 -7.796 -0.678 -7.639 1.00 73.43 N ATOM 240 CA PRO A 18 -7.645 -2.126 -7.579 1.00 20.21 C ATOM 241 C PRO A 18 -6.241 -2.525 -7.113 1.00 72.32 C ATOM 242 O PRO A 18 -5.232 -1.970 -7.566 1.00 1.11 O ATOM 243 CB PRO A 18 -7.877 -2.587 -9.030 1.00 14.25 C ATOM 244 CG PRO A 18 -7.640 -1.379 -9.861 1.00 73.44 C ATOM 245 CD PRO A 18 -8.055 -0.214 -9.019 1.00 62.33 C ATOM 0 HA PRO A 18 -8.337 -2.580 -6.869 1.00 20.21 H new ATOM 0 HB2 PRO A 18 -7.195 -3.393 -9.302 1.00 14.25 H new ATOM 0 HB3 PRO A 18 -8.890 -2.967 -9.166 1.00 14.25 H new ATOM 0 HG2 PRO A 18 -6.591 -1.301 -10.146 1.00 73.44 H new ATOM 0 HG3 PRO A 18 -8.219 -1.420 -10.784 1.00 73.44 H new ATOM 0 HD2 PRO A 18 -7.478 0.680 -9.257 1.00 62.33 H new ATOM 0 HD3 PRO A 18 -9.105 0.036 -9.168 1.00 62.33 H new ATOM 253 N GLY A 19 -6.183 -3.495 -6.235 1.00 64.51 N ATOM 254 CA GLY A 19 -4.924 -3.947 -5.675 1.00 4.44 C ATOM 255 C GLY A 19 -4.121 -4.825 -6.615 1.00 3.12 C ATOM 256 O GLY A 19 -3.071 -5.340 -6.251 1.00 54.41 O ATOM 0 H GLY A 19 -7.001 -3.995 -5.886 1.00 64.51 H new ATOM 0 HA2 GLY A 19 -4.325 -3.078 -5.402 1.00 4.44 H new ATOM 0 HA3 GLY A 19 -5.122 -4.499 -4.756 1.00 4.44 H new ATOM 260 N TYR A 20 -4.625 -5.038 -7.785 1.00 40.32 N ATOM 261 CA TYR A 20 -3.918 -5.774 -8.764 1.00 12.45 C ATOM 262 C TYR A 20 -2.921 -4.866 -9.526 1.00 75.33 C ATOM 263 O TYR A 20 -1.897 -5.334 -10.020 1.00 55.23 O ATOM 264 CB TYR A 20 -4.920 -6.462 -9.695 1.00 43.24 C ATOM 265 CG TYR A 20 -4.301 -7.149 -10.868 1.00 54.13 C ATOM 266 CD1 TYR A 20 -3.689 -8.380 -10.727 1.00 44.11 C ATOM 267 CD2 TYR A 20 -4.313 -6.555 -12.113 1.00 13.24 C ATOM 268 CE1 TYR A 20 -3.102 -9.010 -11.803 1.00 50.14 C ATOM 269 CE2 TYR A 20 -3.725 -7.170 -13.200 1.00 34.44 C ATOM 270 CZ TYR A 20 -3.121 -8.401 -13.039 1.00 32.24 C ATOM 271 OH TYR A 20 -2.520 -9.020 -14.120 1.00 23.41 O ATOM 0 H TYR A 20 -5.541 -4.703 -8.084 1.00 40.32 H new ATOM 0 HA TYR A 20 -3.317 -6.547 -8.284 1.00 12.45 H new ATOM 0 HB2 TYR A 20 -5.489 -7.193 -9.120 1.00 43.24 H new ATOM 0 HB3 TYR A 20 -5.630 -5.719 -10.058 1.00 43.24 H new ATOM 0 HD1 TYR A 20 -3.670 -8.856 -9.758 1.00 44.11 H new ATOM 0 HD2 TYR A 20 -4.790 -5.594 -12.239 1.00 13.24 H new ATOM 0 HE1 TYR A 20 -2.631 -9.974 -11.678 1.00 50.14 H new ATOM 0 HE2 TYR A 20 -3.737 -6.692 -14.168 1.00 34.44 H new ATOM 0 HH TYR A 20 -2.624 -8.459 -14.917 1.00 23.41 H new ATOM 281 N ILE A 21 -3.192 -3.556 -9.567 1.00 61.53 N ATOM 282 CA ILE A 21 -2.321 -2.638 -10.325 1.00 34.02 C ATOM 283 C ILE A 21 -1.188 -2.080 -9.452 1.00 1.51 C ATOM 284 O ILE A 21 -0.373 -1.269 -9.904 1.00 75.23 O ATOM 285 CB ILE A 21 -3.100 -1.459 -10.973 1.00 44.23 C ATOM 286 CG1 ILE A 21 -3.725 -0.543 -9.906 1.00 52.42 C ATOM 287 CG2 ILE A 21 -4.169 -1.990 -11.923 1.00 35.22 C ATOM 288 CD1 ILE A 21 -4.425 0.676 -10.474 1.00 11.55 C ATOM 0 H ILE A 21 -3.983 -3.113 -9.100 1.00 61.53 H new ATOM 0 HA ILE A 21 -1.895 -3.240 -11.127 1.00 34.02 H new ATOM 0 HB ILE A 21 -2.390 -0.860 -11.544 1.00 44.23 H new ATOM 0 HG12 ILE A 21 -4.440 -1.120 -9.320 1.00 52.42 H new ATOM 0 HG13 ILE A 21 -2.943 -0.214 -9.221 1.00 52.42 H new ATOM 0 HG21 ILE A 21 -4.707 -1.154 -12.370 1.00 35.22 H new ATOM 0 HG22 ILE A 21 -3.697 -2.579 -12.709 1.00 35.22 H new ATOM 0 HG23 ILE A 21 -4.868 -2.617 -11.370 1.00 35.22 H new ATOM 0 HD11 ILE A 21 -4.839 1.270 -9.659 1.00 11.55 H new ATOM 0 HD12 ILE A 21 -3.710 1.277 -11.035 1.00 11.55 H new ATOM 0 HD13 ILE A 21 -5.230 0.358 -11.136 1.00 11.55 H new ATOM 300 N VAL A 22 -1.141 -2.520 -8.219 1.00 25.45 N ATOM 301 CA VAL A 22 -0.114 -2.093 -7.299 1.00 20.01 C ATOM 302 C VAL A 22 1.075 -3.053 -7.301 1.00 32.01 C ATOM 303 O VAL A 22 0.910 -4.272 -7.290 1.00 21.12 O ATOM 304 CB VAL A 22 -0.668 -1.804 -5.874 1.00 53.10 C ATOM 305 CG1 VAL A 22 -1.487 -2.937 -5.358 1.00 30.42 C ATOM 306 CG2 VAL A 22 0.442 -1.488 -4.913 1.00 41.43 C ATOM 0 H VAL A 22 -1.810 -3.181 -7.825 1.00 25.45 H new ATOM 0 HA VAL A 22 0.262 -1.135 -7.659 1.00 20.01 H new ATOM 0 HB VAL A 22 -1.315 -0.931 -5.957 1.00 53.10 H new ATOM 0 HG11 VAL A 22 -1.855 -2.695 -4.361 1.00 30.42 H new ATOM 0 HG12 VAL A 22 -2.332 -3.109 -6.025 1.00 30.42 H new ATOM 0 HG13 VAL A 22 -0.874 -3.837 -5.310 1.00 30.42 H new ATOM 0 HG21 VAL A 22 0.024 -1.291 -3.926 1.00 41.43 H new ATOM 0 HG22 VAL A 22 1.125 -2.335 -4.855 1.00 41.43 H new ATOM 0 HG23 VAL A 22 0.984 -0.608 -5.260 1.00 41.43 H new ATOM 316 N ARG A 23 2.263 -2.478 -7.358 1.00 60.50 N ATOM 317 CA ARG A 23 3.506 -3.224 -7.457 1.00 54.55 C ATOM 318 C ARG A 23 4.016 -3.516 -6.035 1.00 3.11 C ATOM 319 O ARG A 23 4.398 -4.637 -5.712 1.00 31.43 O ATOM 320 CB ARG A 23 4.534 -2.356 -8.216 1.00 12.22 C ATOM 321 CG ARG A 23 5.618 -3.121 -9.003 1.00 72.13 C ATOM 322 CD ARG A 23 6.500 -4.013 -8.145 1.00 5.41 C ATOM 323 NE ARG A 23 7.545 -4.657 -8.952 1.00 3.32 N ATOM 324 CZ ARG A 23 8.510 -5.452 -8.481 1.00 31.22 C ATOM 325 NH1 ARG A 23 8.526 -5.812 -7.205 1.00 11.32 N ATOM 326 NH2 ARG A 23 9.441 -5.909 -9.307 1.00 42.42 N ATOM 0 H ARG A 23 2.394 -1.467 -7.337 1.00 60.50 H new ATOM 0 HA ARG A 23 3.356 -4.164 -7.989 1.00 54.55 H new ATOM 0 HB2 ARG A 23 3.994 -1.714 -8.912 1.00 12.22 H new ATOM 0 HB3 ARG A 23 5.029 -1.703 -7.497 1.00 12.22 H new ATOM 0 HG2 ARG A 23 5.134 -3.732 -9.765 1.00 72.13 H new ATOM 0 HG3 ARG A 23 6.248 -2.401 -9.525 1.00 72.13 H new ATOM 0 HD2 ARG A 23 6.960 -3.421 -7.354 1.00 5.41 H new ATOM 0 HD3 ARG A 23 5.890 -4.775 -7.660 1.00 5.41 H new ATOM 0 HE ARG A 23 7.533 -4.482 -9.957 1.00 3.32 H new ATOM 0 HH11 ARG A 23 7.797 -5.482 -6.573 1.00 11.32 H new ATOM 0 HH12 ARG A 23 9.267 -6.419 -6.856 1.00 11.32 H new ATOM 0 HH21 ARG A 23 9.417 -5.653 -10.294 1.00 42.42 H new ATOM 0 HH22 ARG A 23 10.181 -6.516 -8.955 1.00 42.42 H new ATOM 340 N ASN A 24 4.018 -2.490 -5.206 1.00 51.45 N ATOM 341 CA ASN A 24 4.445 -2.599 -3.815 1.00 73.22 C ATOM 342 C ASN A 24 3.614 -1.661 -2.989 1.00 4.13 C ATOM 343 O ASN A 24 3.059 -0.707 -3.514 1.00 45.01 O ATOM 344 CB ASN A 24 5.945 -2.248 -3.617 1.00 62.22 C ATOM 345 CG ASN A 24 6.309 -0.816 -3.966 1.00 73.31 C ATOM 346 OD1 ASN A 24 6.193 0.098 -3.131 1.00 35.13 O ATOM 347 ND2 ASN A 24 6.799 -0.608 -5.156 1.00 75.51 N ATOM 0 H ASN A 24 3.723 -1.551 -5.475 1.00 51.45 H new ATOM 0 HA ASN A 24 4.311 -3.636 -3.506 1.00 73.22 H new ATOM 0 HB2 ASN A 24 6.214 -2.435 -2.577 1.00 62.22 H new ATOM 0 HB3 ASN A 24 6.546 -2.921 -4.228 1.00 62.22 H new ATOM 0 HD21 ASN A 24 7.101 0.328 -5.427 1.00 75.51 H new ATOM 0 HD22 ASN A 24 6.880 -1.381 -5.816 1.00 75.51 H new ATOM 354 N PHE A 25 3.521 -1.906 -1.729 1.00 63.12 N ATOM 355 CA PHE A 25 2.748 -1.043 -0.876 1.00 63.12 C ATOM 356 C PHE A 25 3.592 -0.635 0.299 1.00 64.20 C ATOM 357 O PHE A 25 4.514 -1.356 0.679 1.00 45.22 O ATOM 358 CB PHE A 25 1.472 -1.758 -0.371 1.00 35.12 C ATOM 359 CG PHE A 25 1.740 -2.929 0.560 1.00 73.20 C ATOM 360 CD1 PHE A 25 2.076 -4.172 0.062 1.00 23.15 C ATOM 361 CD2 PHE A 25 1.659 -2.767 1.939 1.00 10.43 C ATOM 362 CE1 PHE A 25 2.327 -5.229 0.909 1.00 20.10 C ATOM 363 CE2 PHE A 25 1.907 -3.819 2.787 1.00 2.31 C ATOM 364 CZ PHE A 25 2.243 -5.049 2.274 1.00 33.24 C ATOM 0 H PHE A 25 3.966 -2.693 -1.257 1.00 63.12 H new ATOM 0 HA PHE A 25 2.444 -0.166 -1.447 1.00 63.12 H new ATOM 0 HB2 PHE A 25 0.844 -1.033 0.147 1.00 35.12 H new ATOM 0 HB3 PHE A 25 0.905 -2.115 -1.231 1.00 35.12 H new ATOM 0 HD1 PHE A 25 2.143 -4.318 -1.006 1.00 23.15 H new ATOM 0 HD2 PHE A 25 1.398 -1.802 2.348 1.00 10.43 H new ATOM 0 HE1 PHE A 25 2.589 -6.196 0.505 1.00 20.10 H new ATOM 0 HE2 PHE A 25 1.838 -3.680 3.856 1.00 2.31 H new ATOM 0 HZ PHE A 25 2.441 -5.875 2.940 1.00 33.24 H new ATOM 374 N HIS A 26 3.319 0.508 0.859 1.00 60.24 N ATOM 375 CA HIS A 26 3.983 0.901 2.084 1.00 71.33 C ATOM 376 C HIS A 26 2.921 1.112 3.115 1.00 74.42 C ATOM 377 O HIS A 26 2.088 2.014 2.990 1.00 32.35 O ATOM 378 CB HIS A 26 4.886 2.157 1.933 1.00 65.33 C ATOM 379 CG HIS A 26 5.980 2.009 0.910 1.00 22.24 C ATOM 380 ND1 HIS A 26 6.419 3.039 0.111 1.00 43.35 N ATOM 381 CD2 HIS A 26 6.723 0.934 0.561 1.00 11.10 C ATOM 382 CE1 HIS A 26 7.373 2.596 -0.685 1.00 22.02 C ATOM 383 NE2 HIS A 26 7.573 1.325 -0.429 1.00 23.55 N ATOM 0 H HIS A 26 2.648 1.185 0.496 1.00 60.24 H new ATOM 0 HA HIS A 26 4.670 0.109 2.381 1.00 71.33 H new ATOM 0 HB2 HIS A 26 4.262 3.009 1.661 1.00 65.33 H new ATOM 0 HB3 HIS A 26 5.336 2.386 2.899 1.00 65.33 H new ATOM 0 HD2 HIS A 26 6.655 -0.055 0.990 1.00 11.10 H new ATOM 0 HE1 HIS A 26 7.901 3.181 -1.423 1.00 22.02 H new ATOM 0 HE2 HIS A 26 8.255 0.727 -0.896 1.00 23.55 H new ATOM 392 N TYR A 27 2.912 0.259 4.091 1.00 22.43 N ATOM 393 CA TYR A 27 1.906 0.275 5.105 1.00 65.12 C ATOM 394 C TYR A 27 2.303 1.270 6.162 1.00 61.14 C ATOM 395 O TYR A 27 3.205 1.018 6.958 1.00 70.20 O ATOM 396 CB TYR A 27 1.803 -1.111 5.694 1.00 61.21 C ATOM 397 CG TYR A 27 0.546 -1.337 6.441 1.00 43.41 C ATOM 398 CD1 TYR A 27 -0.642 -1.386 5.758 1.00 24.34 C ATOM 399 CD2 TYR A 27 0.532 -1.524 7.806 1.00 43.23 C ATOM 400 CE1 TYR A 27 -1.818 -1.610 6.391 1.00 34.51 C ATOM 401 CE2 TYR A 27 -0.651 -1.752 8.465 1.00 13.50 C ATOM 402 CZ TYR A 27 -1.828 -1.797 7.754 1.00 63.11 C ATOM 403 OH TYR A 27 -3.011 -2.046 8.407 1.00 52.04 O ATOM 0 H TYR A 27 3.610 -0.475 4.207 1.00 22.43 H new ATOM 0 HA TYR A 27 0.939 0.563 4.694 1.00 65.12 H new ATOM 0 HB2 TYR A 27 1.878 -1.846 4.892 1.00 61.21 H new ATOM 0 HB3 TYR A 27 2.649 -1.279 6.361 1.00 61.21 H new ATOM 0 HD1 TYR A 27 -0.640 -1.242 4.688 1.00 24.34 H new ATOM 0 HD2 TYR A 27 1.458 -1.491 8.361 1.00 43.23 H new ATOM 0 HE1 TYR A 27 -2.741 -1.642 5.830 1.00 34.51 H new ATOM 0 HE2 TYR A 27 -0.657 -1.895 9.535 1.00 13.50 H new ATOM 0 HH TYR A 27 -2.839 -2.155 9.366 1.00 52.04 H new ATOM 413 N LEU A 28 1.683 2.403 6.148 1.00 12.02 N ATOM 414 CA LEU A 28 2.058 3.452 7.044 1.00 72.14 C ATOM 415 C LEU A 28 1.024 3.678 8.106 1.00 3.44 C ATOM 416 O LEU A 28 -0.171 3.682 7.843 1.00 1.41 O ATOM 417 CB LEU A 28 2.358 4.714 6.274 1.00 73.14 C ATOM 418 CG LEU A 28 3.493 4.604 5.253 1.00 62.54 C ATOM 419 CD1 LEU A 28 3.721 5.927 4.610 1.00 53.03 C ATOM 420 CD2 LEU A 28 4.774 4.098 5.900 1.00 54.52 C ATOM 0 H LEU A 28 0.909 2.629 5.523 1.00 12.02 H new ATOM 0 HA LEU A 28 2.967 3.146 7.562 1.00 72.14 H new ATOM 0 HB2 LEU A 28 1.453 5.026 5.754 1.00 73.14 H new ATOM 0 HB3 LEU A 28 2.606 5.503 6.984 1.00 73.14 H new ATOM 0 HG LEU A 28 3.201 3.880 4.492 1.00 62.54 H new ATOM 0 HD11 LEU A 28 4.530 5.844 3.884 1.00 53.03 H new ATOM 0 HD12 LEU A 28 2.810 6.247 4.104 1.00 53.03 H new ATOM 0 HD13 LEU A 28 3.990 6.660 5.371 1.00 53.03 H new ATOM 0 HD21 LEU A 28 5.560 4.031 5.148 1.00 54.52 H new ATOM 0 HD22 LEU A 28 5.082 4.788 6.686 1.00 54.52 H new ATOM 0 HD23 LEU A 28 4.599 3.112 6.330 1.00 54.52 H new ATOM 432 N LEU A 29 1.492 3.873 9.296 1.00 41.43 N ATOM 433 CA LEU A 29 0.630 3.993 10.461 1.00 71.32 C ATOM 434 C LEU A 29 1.167 5.045 11.398 1.00 44.14 C ATOM 435 O LEU A 29 2.231 5.618 11.155 1.00 60.41 O ATOM 436 CB LEU A 29 0.570 2.661 11.231 1.00 2.10 C ATOM 437 CG LEU A 29 -0.012 1.444 10.522 1.00 44.00 C ATOM 438 CD1 LEU A 29 0.055 0.247 11.445 1.00 74.12 C ATOM 439 CD2 LEU A 29 -1.452 1.698 10.087 1.00 3.54 C ATOM 0 H LEU A 29 2.487 3.956 9.504 1.00 41.43 H new ATOM 0 HA LEU A 29 -0.365 4.266 10.111 1.00 71.32 H new ATOM 0 HB2 LEU A 29 1.584 2.411 11.543 1.00 2.10 H new ATOM 0 HB3 LEU A 29 -0.011 2.827 12.138 1.00 2.10 H new ATOM 0 HG LEU A 29 0.576 1.247 9.625 1.00 44.00 H new ATOM 0 HD11 LEU A 29 -0.361 -0.625 10.940 1.00 74.12 H new ATOM 0 HD12 LEU A 29 1.093 0.051 11.712 1.00 74.12 H new ATOM 0 HD13 LEU A 29 -0.519 0.452 12.348 1.00 74.12 H new ATOM 0 HD21 LEU A 29 -1.842 0.813 9.584 1.00 3.54 H new ATOM 0 HD22 LEU A 29 -2.063 1.916 10.963 1.00 3.54 H new ATOM 0 HD23 LEU A 29 -1.481 2.546 9.403 1.00 3.54 H new ATOM 451 N ILE A 30 0.461 5.273 12.489 1.00 21.34 N ATOM 452 CA ILE A 30 0.940 6.174 13.509 1.00 21.13 C ATOM 453 C ILE A 30 1.998 5.433 14.316 1.00 32.21 C ATOM 454 O ILE A 30 2.951 6.023 14.823 1.00 20.41 O ATOM 455 CB ILE A 30 -0.182 6.668 14.447 1.00 34.42 C ATOM 456 CG1 ILE A 30 -1.332 7.276 13.619 1.00 2.14 C ATOM 457 CG2 ILE A 30 0.398 7.712 15.400 1.00 74.55 C ATOM 458 CD1 ILE A 30 -2.502 7.774 14.440 1.00 51.51 C ATOM 0 H ILE A 30 -0.444 4.846 12.688 1.00 21.34 H new ATOM 0 HA ILE A 30 1.349 7.062 13.026 1.00 21.13 H new ATOM 0 HB ILE A 30 -0.580 5.832 15.022 1.00 34.42 H new ATOM 0 HG12 ILE A 30 -0.940 8.104 13.029 1.00 2.14 H new ATOM 0 HG13 ILE A 30 -1.692 6.526 12.915 1.00 2.14 H new ATOM 0 HG21 ILE A 30 -0.385 8.069 16.069 1.00 74.55 H new ATOM 0 HG22 ILE A 30 1.199 7.263 15.987 1.00 74.55 H new ATOM 0 HG23 ILE A 30 0.794 8.549 14.825 1.00 74.55 H new ATOM 0 HD11 ILE A 30 -3.263 8.185 13.777 1.00 51.51 H new ATOM 0 HD12 ILE A 30 -2.925 6.947 15.010 1.00 51.51 H new ATOM 0 HD13 ILE A 30 -2.161 8.550 15.126 1.00 51.51 H new ATOM 470 N LYS A 31 1.824 4.105 14.397 1.00 14.23 N ATOM 471 CA LYS A 31 2.807 3.218 15.029 1.00 1.23 C ATOM 472 C LYS A 31 4.128 3.297 14.289 1.00 62.14 C ATOM 473 O LYS A 31 5.193 3.038 14.854 1.00 72.05 O ATOM 474 CB LYS A 31 2.311 1.772 15.052 1.00 35.53 C ATOM 475 CG LYS A 31 1.074 1.551 15.903 1.00 42.42 C ATOM 476 CD LYS A 31 0.607 0.101 15.871 1.00 65.12 C ATOM 477 CE LYS A 31 1.677 -0.856 16.383 1.00 24.41 C ATOM 478 NZ LYS A 31 1.202 -2.248 16.399 1.00 22.40 N ATOM 0 H LYS A 31 1.005 3.621 14.029 1.00 14.23 H new ATOM 0 HA LYS A 31 2.947 3.547 16.059 1.00 1.23 H new ATOM 0 HB2 LYS A 31 2.096 1.457 14.031 1.00 35.53 H new ATOM 0 HB3 LYS A 31 3.112 1.131 15.422 1.00 35.53 H new ATOM 0 HG2 LYS A 31 1.286 1.840 16.932 1.00 42.42 H new ATOM 0 HG3 LYS A 31 0.271 2.198 15.549 1.00 42.42 H new ATOM 0 HD2 LYS A 31 -0.293 -0.003 16.478 1.00 65.12 H new ATOM 0 HD3 LYS A 31 0.337 -0.170 14.850 1.00 65.12 H new ATOM 0 HE2 LYS A 31 2.563 -0.781 15.753 1.00 24.41 H new ATOM 0 HE3 LYS A 31 1.976 -0.562 17.389 1.00 24.41 H new ATOM 0 HZ1 LYS A 31 1.958 -2.869 16.753 1.00 22.40 H new ATOM 0 HZ2 LYS A 31 0.372 -2.324 17.020 1.00 22.40 H new ATOM 0 HZ3 LYS A 31 0.940 -2.537 15.435 1.00 22.40 H new ATOM 492 N ASP A 32 4.045 3.647 13.020 1.00 75.32 N ATOM 493 CA ASP A 32 5.214 3.861 12.205 1.00 62.32 C ATOM 494 C ASP A 32 5.687 5.286 12.454 1.00 65.40 C ATOM 495 O ASP A 32 6.820 5.510 12.863 1.00 73.11 O ATOM 496 CB ASP A 32 4.883 3.647 10.724 1.00 51.22 C ATOM 497 CG ASP A 32 6.088 3.792 9.822 1.00 21.30 C ATOM 498 OD1 ASP A 32 6.388 4.918 9.399 1.00 21.23 O ATOM 499 OD2 ASP A 32 6.729 2.764 9.505 1.00 12.23 O ATOM 0 H ASP A 32 3.162 3.790 12.529 1.00 75.32 H new ATOM 0 HA ASP A 32 5.999 3.151 12.465 1.00 62.32 H new ATOM 0 HB2 ASP A 32 4.456 2.653 10.593 1.00 51.22 H new ATOM 0 HB3 ASP A 32 4.121 4.364 10.421 1.00 51.22 H new ATOM 504 N GLY A 33 4.795 6.245 12.234 1.00 54.34 N ATOM 505 CA GLY A 33 5.101 7.614 12.563 1.00 50.42 C ATOM 506 C GLY A 33 4.552 8.611 11.574 1.00 52.42 C ATOM 507 O GLY A 33 5.298 9.212 10.802 1.00 62.41 O ATOM 0 H GLY A 33 3.869 6.094 11.834 1.00 54.34 H new ATOM 0 HA2 GLY A 33 4.702 7.839 13.552 1.00 50.42 H new ATOM 0 HA3 GLY A 33 6.183 7.731 12.622 1.00 50.42 H new ATOM 511 N CYS A 34 3.263 8.777 11.598 1.00 10.05 N ATOM 512 CA CYS A 34 2.565 9.748 10.789 1.00 62.32 C ATOM 513 C CYS A 34 1.216 9.953 11.424 1.00 43.20 C ATOM 514 O CYS A 34 0.715 9.052 12.079 1.00 61.24 O ATOM 515 CB CYS A 34 2.417 9.280 9.327 1.00 11.14 C ATOM 516 SG CYS A 34 1.517 10.472 8.240 1.00 23.31 S ATOM 0 H CYS A 34 2.645 8.228 12.196 1.00 10.05 H new ATOM 0 HA CYS A 34 3.130 10.680 10.751 1.00 62.32 H new ATOM 0 HB2 CYS A 34 3.409 9.104 8.911 1.00 11.14 H new ATOM 0 HB3 CYS A 34 1.892 8.325 9.314 1.00 11.14 H new ATOM 521 N ARG A 35 0.639 11.120 11.253 1.00 21.41 N ATOM 522 CA ARG A 35 -0.648 11.443 11.869 1.00 33.21 C ATOM 523 C ARG A 35 -1.806 10.755 11.163 1.00 0.32 C ATOM 524 O ARG A 35 -2.874 10.530 11.759 1.00 3.14 O ATOM 525 CB ARG A 35 -0.866 12.942 11.866 1.00 63.31 C ATOM 526 CG ARG A 35 0.113 13.714 12.723 1.00 42.22 C ATOM 527 CD ARG A 35 -0.128 15.198 12.590 1.00 54.51 C ATOM 528 NE ARG A 35 -1.492 15.577 12.973 1.00 14.04 N ATOM 529 CZ ARG A 35 -2.191 16.562 12.402 1.00 4.34 C ATOM 530 NH1 ARG A 35 -1.641 17.304 11.443 1.00 23.22 N ATOM 531 NH2 ARG A 35 -3.433 16.813 12.799 1.00 52.21 N ATOM 0 H ARG A 35 1.036 11.873 10.690 1.00 21.41 H new ATOM 0 HA ARG A 35 -0.618 11.077 12.895 1.00 33.21 H new ATOM 0 HB2 ARG A 35 -0.799 13.305 10.841 1.00 63.31 H new ATOM 0 HB3 ARG A 35 -1.878 13.151 12.212 1.00 63.31 H new ATOM 0 HG2 ARG A 35 0.008 13.414 13.766 1.00 42.22 H new ATOM 0 HG3 ARG A 35 1.134 13.477 12.424 1.00 42.22 H new ATOM 0 HD2 ARG A 35 0.585 15.737 13.214 1.00 54.51 H new ATOM 0 HD3 ARG A 35 0.056 15.503 11.560 1.00 54.51 H new ATOM 0 HE ARG A 35 -1.937 15.053 13.726 1.00 14.04 H new ATOM 0 HH11 ARG A 35 -0.684 17.121 11.142 1.00 23.22 H new ATOM 0 HH12 ARG A 35 -2.177 18.055 11.009 1.00 23.22 H new ATOM 0 HH21 ARG A 35 -3.854 16.254 13.541 1.00 52.21 H new ATOM 0 HH22 ARG A 35 -3.966 17.565 12.362 1.00 52.21 H new ATOM 545 N VAL A 36 -1.602 10.430 9.921 1.00 25.41 N ATOM 546 CA VAL A 36 -2.610 9.788 9.120 1.00 40.30 C ATOM 547 C VAL A 36 -2.173 8.373 8.704 1.00 1.02 C ATOM 548 O VAL A 36 -1.250 8.193 7.899 1.00 41.03 O ATOM 549 CB VAL A 36 -3.013 10.676 7.894 1.00 65.31 C ATOM 550 CG1 VAL A 36 -1.790 11.152 7.151 1.00 52.20 C ATOM 551 CG2 VAL A 36 -3.953 9.933 6.945 1.00 20.33 C ATOM 0 H VAL A 36 -0.726 10.603 9.428 1.00 25.41 H new ATOM 0 HA VAL A 36 -3.505 9.673 9.731 1.00 40.30 H new ATOM 0 HB VAL A 36 -3.546 11.543 8.283 1.00 65.31 H new ATOM 0 HG11 VAL A 36 -2.095 11.767 6.304 1.00 52.20 H new ATOM 0 HG12 VAL A 36 -1.164 11.742 7.821 1.00 52.20 H new ATOM 0 HG13 VAL A 36 -1.226 10.292 6.791 1.00 52.20 H new ATOM 0 HG21 VAL A 36 -4.211 10.581 6.107 1.00 20.33 H new ATOM 0 HG22 VAL A 36 -3.459 9.036 6.572 1.00 20.33 H new ATOM 0 HG23 VAL A 36 -4.861 9.652 7.479 1.00 20.33 H new ATOM 561 N PRO A 37 -2.798 7.351 9.298 1.00 31.51 N ATOM 562 CA PRO A 37 -2.503 5.974 8.980 1.00 54.31 C ATOM 563 C PRO A 37 -3.296 5.494 7.763 1.00 21.31 C ATOM 564 O PRO A 37 -4.525 5.691 7.682 1.00 13.25 O ATOM 565 CB PRO A 37 -2.937 5.225 10.245 1.00 55.31 C ATOM 566 CG PRO A 37 -4.049 6.044 10.818 1.00 5.32 C ATOM 567 CD PRO A 37 -3.847 7.463 10.338 1.00 13.40 C ATOM 0 HA PRO A 37 -1.456 5.816 8.720 1.00 54.31 H new ATOM 0 HB2 PRO A 37 -3.272 4.215 10.010 1.00 55.31 H new ATOM 0 HB3 PRO A 37 -2.112 5.131 10.951 1.00 55.31 H new ATOM 0 HG2 PRO A 37 -5.017 5.661 10.493 1.00 5.32 H new ATOM 0 HG3 PRO A 37 -4.038 6.000 11.907 1.00 5.32 H new ATOM 0 HD2 PRO A 37 -4.768 7.880 9.931 1.00 13.40 H new ATOM 0 HD3 PRO A 37 -3.533 8.117 11.151 1.00 13.40 H new ATOM 575 N ALA A 38 -2.595 4.886 6.830 1.00 62.44 N ATOM 576 CA ALA A 38 -3.162 4.340 5.620 1.00 22.13 C ATOM 577 C ALA A 38 -2.072 3.647 4.840 1.00 13.44 C ATOM 578 O ALA A 38 -0.884 3.846 5.110 1.00 14.43 O ATOM 579 CB ALA A 38 -3.837 5.416 4.766 1.00 65.10 C ATOM 0 H ALA A 38 -1.586 4.755 6.896 1.00 62.44 H new ATOM 0 HA ALA A 38 -3.938 3.624 5.892 1.00 22.13 H new ATOM 0 HB1 ALA A 38 -4.249 4.960 3.866 1.00 65.10 H new ATOM 0 HB2 ALA A 38 -4.640 5.883 5.337 1.00 65.10 H new ATOM 0 HB3 ALA A 38 -3.103 6.172 4.486 1.00 65.10 H new ATOM 585 N VAL A 39 -2.447 2.841 3.904 1.00 24.32 N ATOM 586 CA VAL A 39 -1.482 2.134 3.119 1.00 15.51 C ATOM 587 C VAL A 39 -1.354 2.785 1.756 1.00 0.10 C ATOM 588 O VAL A 39 -2.370 3.050 1.086 1.00 53.42 O ATOM 589 CB VAL A 39 -1.831 0.612 3.003 1.00 60.30 C ATOM 590 CG1 VAL A 39 -3.200 0.380 2.393 1.00 31.34 C ATOM 591 CG2 VAL A 39 -0.772 -0.141 2.227 1.00 15.44 C ATOM 0 H VAL A 39 -3.419 2.652 3.660 1.00 24.32 H new ATOM 0 HA VAL A 39 -0.517 2.192 3.623 1.00 15.51 H new ATOM 0 HB VAL A 39 -1.855 0.223 4.021 1.00 60.30 H new ATOM 0 HG11 VAL A 39 -3.395 -0.691 2.334 1.00 31.34 H new ATOM 0 HG12 VAL A 39 -3.960 0.854 3.014 1.00 31.34 H new ATOM 0 HG13 VAL A 39 -3.230 0.810 1.392 1.00 31.34 H new ATOM 0 HG21 VAL A 39 -1.046 -1.194 2.166 1.00 15.44 H new ATOM 0 HG22 VAL A 39 -0.694 0.273 1.222 1.00 15.44 H new ATOM 0 HG23 VAL A 39 0.188 -0.045 2.734 1.00 15.44 H new ATOM 601 N VAL A 40 -0.135 3.100 1.361 1.00 12.40 N ATOM 602 CA VAL A 40 0.067 3.684 0.087 1.00 60.24 C ATOM 603 C VAL A 40 0.258 2.563 -0.927 1.00 23.34 C ATOM 604 O VAL A 40 1.050 1.620 -0.710 1.00 35.04 O ATOM 605 CB VAL A 40 1.287 4.688 0.049 1.00 11.44 C ATOM 606 CG1 VAL A 40 1.303 5.636 1.233 1.00 24.22 C ATOM 607 CG2 VAL A 40 2.630 4.021 -0.159 1.00 24.03 C ATOM 0 H VAL A 40 0.711 2.956 1.912 1.00 12.40 H new ATOM 0 HA VAL A 40 -0.811 4.281 -0.158 1.00 60.24 H new ATOM 0 HB VAL A 40 1.119 5.291 -0.843 1.00 11.44 H new ATOM 0 HG11 VAL A 40 2.162 6.302 1.154 1.00 24.22 H new ATOM 0 HG12 VAL A 40 0.386 6.226 1.239 1.00 24.22 H new ATOM 0 HG13 VAL A 40 1.372 5.063 2.157 1.00 24.22 H new ATOM 0 HG21 VAL A 40 3.414 4.778 -0.173 1.00 24.03 H new ATOM 0 HG22 VAL A 40 2.818 3.319 0.654 1.00 24.03 H new ATOM 0 HG23 VAL A 40 2.627 3.485 -1.108 1.00 24.03 H new ATOM 617 N PHE A 41 -0.489 2.610 -1.965 1.00 41.13 N ATOM 618 CA PHE A 41 -0.356 1.674 -3.024 1.00 30.13 C ATOM 619 C PHE A 41 0.473 2.253 -4.143 1.00 30.44 C ATOM 620 O PHE A 41 0.073 3.229 -4.790 1.00 42.13 O ATOM 621 CB PHE A 41 -1.719 1.191 -3.541 1.00 20.42 C ATOM 622 CG PHE A 41 -2.440 0.207 -2.638 1.00 60.15 C ATOM 623 CD1 PHE A 41 -1.764 -0.871 -2.080 1.00 52.53 C ATOM 624 CD2 PHE A 41 -3.790 0.345 -2.369 1.00 65.34 C ATOM 625 CE1 PHE A 41 -2.413 -1.782 -1.279 1.00 44.10 C ATOM 626 CE2 PHE A 41 -4.450 -0.574 -1.573 1.00 32.34 C ATOM 627 CZ PHE A 41 -3.755 -1.639 -1.029 1.00 61.34 C ATOM 0 H PHE A 41 -1.220 3.307 -2.109 1.00 41.13 H new ATOM 0 HA PHE A 41 0.161 0.801 -2.626 1.00 30.13 H new ATOM 0 HB2 PHE A 41 -2.361 2.059 -3.692 1.00 20.42 H new ATOM 0 HB3 PHE A 41 -1.576 0.727 -4.517 1.00 20.42 H new ATOM 0 HD1 PHE A 41 -0.710 -0.996 -2.279 1.00 52.53 H new ATOM 0 HD2 PHE A 41 -4.335 1.180 -2.785 1.00 65.34 H new ATOM 0 HE1 PHE A 41 -1.867 -2.608 -0.848 1.00 44.10 H new ATOM 0 HE2 PHE A 41 -5.506 -0.460 -1.377 1.00 32.34 H new ATOM 0 HZ PHE A 41 -4.268 -2.358 -0.408 1.00 61.34 H new ATOM 637 N THR A 42 1.634 1.682 -4.337 1.00 65.04 N ATOM 638 CA THR A 42 2.517 2.068 -5.403 1.00 52.22 C ATOM 639 C THR A 42 2.048 1.405 -6.703 1.00 62.34 C ATOM 640 O THR A 42 2.257 0.199 -6.914 1.00 41.12 O ATOM 641 CB THR A 42 3.962 1.622 -5.085 1.00 35.43 C ATOM 642 OG1 THR A 42 4.433 2.241 -3.869 1.00 73.23 O ATOM 643 CG2 THR A 42 4.925 1.913 -6.227 1.00 3.52 C ATOM 0 H THR A 42 1.995 0.928 -3.752 1.00 65.04 H new ATOM 0 HA THR A 42 2.501 3.152 -5.512 1.00 52.22 H new ATOM 0 HB THR A 42 3.933 0.541 -4.950 1.00 35.43 H new ATOM 0 HG1 THR A 42 5.078 1.649 -3.429 1.00 73.23 H new ATOM 0 HG21 THR A 42 5.926 1.580 -5.952 1.00 3.52 H new ATOM 0 HG22 THR A 42 4.599 1.383 -7.122 1.00 3.52 H new ATOM 0 HG23 THR A 42 4.940 2.985 -6.426 1.00 3.52 H new ATOM 651 N THR A 43 1.386 2.168 -7.539 1.00 22.01 N ATOM 652 CA THR A 43 0.871 1.659 -8.792 1.00 74.43 C ATOM 653 C THR A 43 2.004 1.438 -9.798 1.00 31.34 C ATOM 654 O THR A 43 3.140 1.860 -9.559 1.00 72.54 O ATOM 655 CB THR A 43 -0.181 2.617 -9.376 1.00 70.02 C ATOM 656 OG1 THR A 43 0.388 3.937 -9.489 1.00 22.13 O ATOM 657 CG2 THR A 43 -1.417 2.662 -8.482 1.00 4.10 C ATOM 0 H THR A 43 1.189 3.155 -7.373 1.00 22.01 H new ATOM 0 HA THR A 43 0.395 0.699 -8.594 1.00 74.43 H new ATOM 0 HB THR A 43 -0.479 2.259 -10.361 1.00 70.02 H new ATOM 0 HG1 THR A 43 0.545 4.303 -8.594 1.00 22.13 H new ATOM 0 HG21 THR A 43 -2.151 3.345 -8.910 1.00 4.10 H new ATOM 0 HG22 THR A 43 -1.849 1.664 -8.408 1.00 4.10 H new ATOM 0 HG23 THR A 43 -1.135 3.010 -7.488 1.00 4.10 H new ATOM 665 N LEU A 44 1.694 0.793 -10.917 1.00 64.40 N ATOM 666 CA LEU A 44 2.663 0.486 -11.955 1.00 51.21 C ATOM 667 C LEU A 44 3.354 1.739 -12.506 1.00 54.12 C ATOM 668 O LEU A 44 4.495 1.676 -12.970 1.00 21.01 O ATOM 669 CB LEU A 44 1.978 -0.267 -13.079 1.00 65.24 C ATOM 670 CG LEU A 44 1.369 -1.633 -12.725 1.00 12.41 C ATOM 671 CD1 LEU A 44 0.724 -2.262 -13.946 1.00 61.15 C ATOM 672 CD2 LEU A 44 2.425 -2.568 -12.137 1.00 11.41 C ATOM 0 H LEU A 44 0.751 0.466 -11.128 1.00 64.40 H new ATOM 0 HA LEU A 44 3.440 -0.133 -11.506 1.00 51.21 H new ATOM 0 HB2 LEU A 44 1.185 0.366 -13.478 1.00 65.24 H new ATOM 0 HB3 LEU A 44 2.702 -0.415 -13.880 1.00 65.24 H new ATOM 0 HG LEU A 44 0.600 -1.473 -11.970 1.00 12.41 H new ATOM 0 HD11 LEU A 44 0.298 -3.228 -13.676 1.00 61.15 H new ATOM 0 HD12 LEU A 44 -0.066 -1.609 -14.317 1.00 61.15 H new ATOM 0 HD13 LEU A 44 1.475 -2.401 -14.723 1.00 61.15 H new ATOM 0 HD21 LEU A 44 1.968 -3.527 -11.895 1.00 11.41 H new ATOM 0 HD22 LEU A 44 3.223 -2.719 -12.864 1.00 11.41 H new ATOM 0 HD23 LEU A 44 2.839 -2.125 -11.231 1.00 11.41 H new ATOM 684 N ARG A 45 2.667 2.866 -12.452 1.00 3.21 N ATOM 685 CA ARG A 45 3.227 4.134 -12.916 1.00 24.23 C ATOM 686 C ARG A 45 4.288 4.652 -11.932 1.00 44.35 C ATOM 687 O ARG A 45 5.155 5.452 -12.297 1.00 50.32 O ATOM 688 CB ARG A 45 2.113 5.179 -13.080 1.00 61.23 C ATOM 689 CG ARG A 45 2.564 6.518 -13.657 1.00 32.34 C ATOM 690 CD ARG A 45 3.095 6.363 -15.079 1.00 40.53 C ATOM 691 NE ARG A 45 2.076 5.825 -15.998 1.00 41.40 N ATOM 692 CZ ARG A 45 2.336 5.282 -17.200 1.00 62.30 C ATOM 693 NH1 ARG A 45 3.589 5.186 -17.639 1.00 32.34 N ATOM 694 NH2 ARG A 45 1.341 4.834 -17.956 1.00 1.35 N ATOM 0 H ARG A 45 1.716 2.934 -12.091 1.00 3.21 H new ATOM 0 HA ARG A 45 3.702 3.964 -13.882 1.00 24.23 H new ATOM 0 HB2 ARG A 45 1.339 4.764 -13.726 1.00 61.23 H new ATOM 0 HB3 ARG A 45 1.655 5.356 -12.107 1.00 61.23 H new ATOM 0 HG2 ARG A 45 1.728 7.217 -13.654 1.00 32.34 H new ATOM 0 HG3 ARG A 45 3.340 6.946 -13.022 1.00 32.34 H new ATOM 0 HD2 ARG A 45 3.437 7.331 -15.445 1.00 40.53 H new ATOM 0 HD3 ARG A 45 3.961 5.701 -15.072 1.00 40.53 H new ATOM 0 HE ARG A 45 1.101 5.868 -15.700 1.00 41.40 H new ATOM 0 HH11 ARG A 45 4.359 5.525 -17.062 1.00 32.34 H new ATOM 0 HH12 ARG A 45 3.779 4.773 -18.552 1.00 32.34 H new ATOM 0 HH21 ARG A 45 0.379 4.902 -17.625 1.00 1.35 H new ATOM 0 HH22 ARG A 45 1.539 4.422 -18.868 1.00 1.35 H new ATOM 708 N GLY A 46 4.231 4.174 -10.705 1.00 51.22 N ATOM 709 CA GLY A 46 5.131 4.649 -9.681 1.00 50.53 C ATOM 710 C GLY A 46 4.484 5.734 -8.857 1.00 3.22 C ATOM 711 O GLY A 46 5.157 6.479 -8.144 1.00 14.52 O ATOM 0 H GLY A 46 3.572 3.459 -10.396 1.00 51.22 H new ATOM 0 HA2 GLY A 46 5.423 3.821 -9.035 1.00 50.53 H new ATOM 0 HA3 GLY A 46 6.043 5.031 -10.141 1.00 50.53 H new ATOM 715 N ARG A 47 3.176 5.829 -8.969 1.00 42.52 N ATOM 716 CA ARG A 47 2.402 6.822 -8.268 1.00 11.41 C ATOM 717 C ARG A 47 1.826 6.137 -7.039 1.00 41.23 C ATOM 718 O ARG A 47 1.281 5.025 -7.141 1.00 70.32 O ATOM 719 CB ARG A 47 1.265 7.270 -9.187 1.00 62.25 C ATOM 720 CG ARG A 47 0.711 8.680 -8.971 1.00 14.03 C ATOM 721 CD ARG A 47 0.023 8.910 -7.633 1.00 63.41 C ATOM 722 NE ARG A 47 -0.561 10.260 -7.582 1.00 61.04 N ATOM 723 CZ ARG A 47 -1.092 10.856 -6.505 1.00 41.24 C ATOM 724 NH1 ARG A 47 -1.030 10.285 -5.315 1.00 55.13 N ATOM 725 NH2 ARG A 47 -1.666 12.050 -6.633 1.00 3.33 N ATOM 0 H ARG A 47 2.617 5.210 -9.557 1.00 42.52 H new ATOM 0 HA ARG A 47 3.000 7.687 -7.983 1.00 11.41 H new ATOM 0 HB2 ARG A 47 1.614 7.197 -10.217 1.00 62.25 H new ATOM 0 HB3 ARG A 47 0.443 6.563 -9.078 1.00 62.25 H new ATOM 0 HG2 ARG A 47 1.530 9.393 -9.067 1.00 14.03 H new ATOM 0 HG3 ARG A 47 0.001 8.900 -9.769 1.00 14.03 H new ATOM 0 HD2 ARG A 47 -0.757 8.163 -7.485 1.00 63.41 H new ATOM 0 HD3 ARG A 47 0.741 8.786 -6.822 1.00 63.41 H new ATOM 0 HE ARG A 47 -0.562 10.794 -8.451 1.00 61.04 H new ATOM 0 HH11 ARG A 47 -0.574 9.379 -5.207 1.00 55.13 H new ATOM 0 HH12 ARG A 47 -1.438 10.750 -4.504 1.00 55.13 H new ATOM 0 HH21 ARG A 47 -1.699 12.505 -7.545 1.00 3.33 H new ATOM 0 HH22 ARG A 47 -2.072 12.510 -5.819 1.00 3.33 H new ATOM 739 N GLN A 48 1.935 6.764 -5.919 1.00 13.31 N ATOM 740 CA GLN A 48 1.470 6.190 -4.678 1.00 33.32 C ATOM 741 C GLN A 48 0.117 6.771 -4.346 1.00 73.15 C ATOM 742 O GLN A 48 -0.068 7.979 -4.400 1.00 13.51 O ATOM 743 CB GLN A 48 2.468 6.475 -3.555 1.00 41.45 C ATOM 744 CG GLN A 48 3.872 5.963 -3.854 1.00 34.13 C ATOM 745 CD GLN A 48 4.863 6.254 -2.747 1.00 44.11 C ATOM 746 OE1 GLN A 48 4.741 7.237 -2.012 1.00 13.22 O ATOM 747 NE2 GLN A 48 5.863 5.423 -2.633 1.00 74.15 N ATOM 0 H GLN A 48 2.348 7.692 -5.825 1.00 13.31 H new ATOM 0 HA GLN A 48 1.383 5.109 -4.784 1.00 33.32 H new ATOM 0 HB2 GLN A 48 2.510 7.550 -3.380 1.00 41.45 H new ATOM 0 HB3 GLN A 48 2.109 6.016 -2.634 1.00 41.45 H new ATOM 0 HG2 GLN A 48 3.831 4.887 -4.022 1.00 34.13 H new ATOM 0 HG3 GLN A 48 4.227 6.417 -4.779 1.00 34.13 H new ATOM 0 HE21 GLN A 48 5.933 4.620 -3.258 1.00 74.15 H new ATOM 0 HE22 GLN A 48 6.575 5.577 -1.919 1.00 74.15 H new ATOM 756 N LEU A 49 -0.825 5.932 -4.037 1.00 51.41 N ATOM 757 CA LEU A 49 -2.167 6.388 -3.736 1.00 44.42 C ATOM 758 C LEU A 49 -2.633 5.613 -2.532 1.00 1.31 C ATOM 759 O LEU A 49 -2.391 4.424 -2.444 1.00 24.25 O ATOM 760 CB LEU A 49 -3.083 6.137 -4.955 1.00 3.52 C ATOM 761 CG LEU A 49 -4.430 6.923 -5.041 1.00 11.34 C ATOM 762 CD1 LEU A 49 -5.395 6.618 -3.919 1.00 72.01 C ATOM 763 CD2 LEU A 49 -4.184 8.423 -5.159 1.00 24.55 C ATOM 0 H LEU A 49 -0.698 4.921 -3.984 1.00 51.41 H new ATOM 0 HA LEU A 49 -2.193 7.457 -3.524 1.00 44.42 H new ATOM 0 HB2 LEU A 49 -2.509 6.361 -5.854 1.00 3.52 H new ATOM 0 HB3 LEU A 49 -3.316 5.073 -4.982 1.00 3.52 H new ATOM 0 HG LEU A 49 -4.916 6.571 -5.951 1.00 11.34 H new ATOM 0 HD11 LEU A 49 -6.305 7.204 -4.052 1.00 72.01 H new ATOM 0 HD12 LEU A 49 -5.642 5.556 -3.930 1.00 72.01 H new ATOM 0 HD13 LEU A 49 -4.935 6.873 -2.964 1.00 72.01 H new ATOM 0 HD21 LEU A 49 -5.139 8.945 -5.217 1.00 24.55 H new ATOM 0 HD22 LEU A 49 -3.633 8.771 -4.285 1.00 24.55 H new ATOM 0 HD23 LEU A 49 -3.604 8.627 -6.059 1.00 24.55 H new ATOM 775 N CYS A 50 -3.286 6.259 -1.621 1.00 12.31 N ATOM 776 CA CYS A 50 -3.641 5.602 -0.388 1.00 45.40 C ATOM 777 C CYS A 50 -5.023 5.004 -0.364 1.00 33.53 C ATOM 778 O CYS A 50 -5.959 5.519 -0.978 1.00 21.33 O ATOM 779 CB CYS A 50 -3.450 6.541 0.741 1.00 71.24 C ATOM 780 SG CYS A 50 -1.724 6.997 0.966 1.00 73.43 S ATOM 0 H CYS A 50 -3.586 7.231 -1.698 1.00 12.31 H new ATOM 0 HA CYS A 50 -2.972 4.747 -0.293 1.00 45.40 H new ATOM 0 HB2 CYS A 50 -4.041 7.440 0.567 1.00 71.24 H new ATOM 0 HB3 CYS A 50 -3.825 6.085 1.657 1.00 71.24 H new ATOM 785 N ALA A 51 -5.142 3.913 0.361 1.00 33.22 N ATOM 786 CA ALA A 51 -6.391 3.226 0.540 1.00 62.21 C ATOM 787 C ALA A 51 -6.629 2.959 2.030 1.00 43.50 C ATOM 788 O ALA A 51 -5.676 3.036 2.823 1.00 31.11 O ATOM 789 CB ALA A 51 -6.402 1.953 -0.281 1.00 45.33 C ATOM 0 H ALA A 51 -4.359 3.476 0.848 1.00 33.22 H new ATOM 0 HA ALA A 51 -7.212 3.849 0.185 1.00 62.21 H new ATOM 0 HB1 ALA A 51 -7.352 1.437 -0.140 1.00 45.33 H new ATOM 0 HB2 ALA A 51 -6.275 2.199 -1.335 1.00 45.33 H new ATOM 0 HB3 ALA A 51 -5.587 1.305 0.041 1.00 45.33 H new ATOM 795 N PRO A 52 -7.888 2.642 2.445 1.00 5.33 N ATOM 796 CA PRO A 52 -8.223 2.465 3.867 1.00 73.24 C ATOM 797 C PRO A 52 -7.783 1.079 4.429 1.00 33.21 C ATOM 798 O PRO A 52 -8.371 0.053 4.100 1.00 11.04 O ATOM 799 CB PRO A 52 -9.746 2.606 3.864 1.00 65.51 C ATOM 800 CG PRO A 52 -10.168 2.062 2.534 1.00 62.55 C ATOM 801 CD PRO A 52 -9.078 2.399 1.571 1.00 13.31 C ATOM 0 HA PRO A 52 -7.709 3.180 4.509 1.00 73.24 H new ATOM 0 HB2 PRO A 52 -10.198 2.047 4.683 1.00 65.51 H new ATOM 0 HB3 PRO A 52 -10.049 3.646 3.982 1.00 65.51 H new ATOM 0 HG2 PRO A 52 -10.319 0.984 2.587 1.00 62.55 H new ATOM 0 HG3 PRO A 52 -11.114 2.501 2.218 1.00 62.55 H new ATOM 0 HD2 PRO A 52 -8.899 1.584 0.869 1.00 13.31 H new ATOM 0 HD3 PRO A 52 -9.326 3.280 0.979 1.00 13.31 H new ATOM 809 N PRO A 53 -6.756 1.048 5.311 1.00 3.10 N ATOM 810 CA PRO A 53 -6.165 -0.215 5.816 1.00 72.14 C ATOM 811 C PRO A 53 -7.097 -0.984 6.759 1.00 35.24 C ATOM 812 O PRO A 53 -6.931 -2.193 6.983 1.00 51.34 O ATOM 813 CB PRO A 53 -4.929 0.267 6.582 1.00 31.24 C ATOM 814 CG PRO A 53 -5.285 1.639 7.027 1.00 33.41 C ATOM 815 CD PRO A 53 -6.102 2.229 5.908 1.00 70.34 C ATOM 0 HA PRO A 53 -5.956 -0.911 5.004 1.00 72.14 H new ATOM 0 HB2 PRO A 53 -4.709 -0.382 7.430 1.00 31.24 H new ATOM 0 HB3 PRO A 53 -4.044 0.272 5.946 1.00 31.24 H new ATOM 0 HG2 PRO A 53 -5.854 1.614 7.957 1.00 33.41 H new ATOM 0 HG3 PRO A 53 -4.391 2.234 7.216 1.00 33.41 H new ATOM 0 HD2 PRO A 53 -6.831 2.949 6.278 1.00 70.34 H new ATOM 0 HD3 PRO A 53 -5.476 2.752 5.185 1.00 70.34 H new ATOM 823 N ASP A 54 -8.085 -0.292 7.293 1.00 14.52 N ATOM 824 CA ASP A 54 -9.016 -0.899 8.225 1.00 22.25 C ATOM 825 C ASP A 54 -10.194 -1.508 7.461 1.00 65.10 C ATOM 826 O ASP A 54 -11.021 -2.222 8.022 1.00 14.53 O ATOM 827 CB ASP A 54 -9.496 0.138 9.260 1.00 4.41 C ATOM 828 CG ASP A 54 -10.367 -0.447 10.354 1.00 52.20 C ATOM 829 OD1 ASP A 54 -9.821 -0.959 11.360 1.00 71.34 O ATOM 830 OD2 ASP A 54 -11.609 -0.383 10.246 1.00 44.11 O ATOM 0 H ASP A 54 -8.264 0.693 7.097 1.00 14.52 H new ATOM 0 HA ASP A 54 -8.510 -1.698 8.767 1.00 22.25 H new ATOM 0 HB2 ASP A 54 -8.627 0.612 9.715 1.00 4.41 H new ATOM 0 HB3 ASP A 54 -10.053 0.921 8.745 1.00 4.41 H new ATOM 835 N GLN A 55 -10.252 -1.246 6.170 1.00 12.45 N ATOM 836 CA GLN A 55 -11.310 -1.790 5.355 1.00 21.43 C ATOM 837 C GLN A 55 -10.920 -3.144 4.772 1.00 62.35 C ATOM 838 O GLN A 55 -9.807 -3.324 4.256 1.00 73.21 O ATOM 839 CB GLN A 55 -11.747 -0.828 4.262 1.00 12.22 C ATOM 840 CG GLN A 55 -12.397 0.452 4.774 1.00 71.12 C ATOM 841 CD GLN A 55 -13.636 0.200 5.599 1.00 25.05 C ATOM 842 OE1 GLN A 55 -13.568 0.074 6.817 1.00 64.30 O ATOM 843 NE2 GLN A 55 -14.766 0.092 4.947 1.00 62.14 N ATOM 0 H GLN A 55 -9.581 -0.663 5.669 1.00 12.45 H new ATOM 0 HA GLN A 55 -12.168 -1.939 6.010 1.00 21.43 H new ATOM 0 HB2 GLN A 55 -10.879 -0.564 3.658 1.00 12.22 H new ATOM 0 HB3 GLN A 55 -12.449 -1.340 3.604 1.00 12.22 H new ATOM 0 HG2 GLN A 55 -11.674 1.004 5.375 1.00 71.12 H new ATOM 0 HG3 GLN A 55 -12.656 1.085 3.925 1.00 71.12 H new ATOM 0 HE21 GLN A 55 -14.783 0.203 3.933 1.00 62.14 H new ATOM 0 HE22 GLN A 55 -15.630 -0.103 5.453 1.00 62.14 H new ATOM 852 N PRO A 56 -11.850 -4.103 4.836 1.00 71.22 N ATOM 853 CA PRO A 56 -11.633 -5.500 4.422 1.00 20.45 C ATOM 854 C PRO A 56 -11.125 -5.687 2.991 1.00 44.25 C ATOM 855 O PRO A 56 -10.319 -6.589 2.720 1.00 74.21 O ATOM 856 CB PRO A 56 -13.017 -6.129 4.559 1.00 41.41 C ATOM 857 CG PRO A 56 -13.969 -4.996 4.676 1.00 14.40 C ATOM 858 CD PRO A 56 -13.218 -3.911 5.348 1.00 2.52 C ATOM 0 HA PRO A 56 -10.850 -5.949 5.034 1.00 20.45 H new ATOM 0 HB2 PRO A 56 -13.252 -6.749 3.694 1.00 41.41 H new ATOM 0 HB3 PRO A 56 -13.068 -6.774 5.436 1.00 41.41 H new ATOM 0 HG2 PRO A 56 -14.322 -4.678 3.695 1.00 14.40 H new ATOM 0 HG3 PRO A 56 -14.848 -5.281 5.255 1.00 14.40 H new ATOM 0 HD2 PRO A 56 -13.612 -2.927 5.093 1.00 2.52 H new ATOM 0 HD3 PRO A 56 -13.261 -4.000 6.433 1.00 2.52 H new ATOM 866 N TRP A 57 -11.585 -4.846 2.083 1.00 54.31 N ATOM 867 CA TRP A 57 -11.204 -4.977 0.669 1.00 74.32 C ATOM 868 C TRP A 57 -9.682 -4.776 0.483 1.00 40.51 C ATOM 869 O TRP A 57 -9.064 -5.375 -0.415 1.00 14.34 O ATOM 870 CB TRP A 57 -12.007 -4.006 -0.256 1.00 15.43 C ATOM 871 CG TRP A 57 -11.574 -2.562 -0.203 1.00 74.51 C ATOM 872 CD1 TRP A 57 -12.000 -1.580 0.650 1.00 5.21 C ATOM 873 CD2 TRP A 57 -10.615 -1.942 -1.072 1.00 23.00 C ATOM 874 NE1 TRP A 57 -11.357 -0.410 0.365 1.00 51.55 N ATOM 875 CE2 TRP A 57 -10.500 -0.608 -0.685 1.00 41.52 C ATOM 876 CE3 TRP A 57 -9.838 -2.398 -2.138 1.00 65.40 C ATOM 877 CZ2 TRP A 57 -9.637 0.274 -1.322 1.00 64.14 C ATOM 878 CZ3 TRP A 57 -8.989 -1.516 -2.763 1.00 61.22 C ATOM 879 CH2 TRP A 57 -8.893 -0.198 -2.351 1.00 24.34 C ATOM 0 H TRP A 57 -12.216 -4.070 2.285 1.00 54.31 H new ATOM 0 HA TRP A 57 -11.459 -5.993 0.367 1.00 74.32 H new ATOM 0 HB2 TRP A 57 -11.922 -4.356 -1.285 1.00 15.43 H new ATOM 0 HB3 TRP A 57 -13.062 -4.062 0.014 1.00 15.43 H new ATOM 0 HD1 TRP A 57 -12.734 -1.711 1.431 1.00 5.21 H new ATOM 0 HE1 TRP A 57 -11.493 0.473 0.857 1.00 51.55 H new ATOM 0 HE3 TRP A 57 -9.903 -3.425 -2.466 1.00 65.40 H new ATOM 0 HZ2 TRP A 57 -9.561 1.304 -1.007 1.00 64.14 H new ATOM 0 HZ3 TRP A 57 -8.386 -1.858 -3.591 1.00 61.22 H new ATOM 0 HH2 TRP A 57 -8.211 0.467 -2.860 1.00 24.34 H new ATOM 890 N VAL A 58 -9.088 -3.952 1.351 1.00 64.13 N ATOM 891 CA VAL A 58 -7.668 -3.655 1.298 1.00 0.32 C ATOM 892 C VAL A 58 -6.847 -4.816 1.859 1.00 45.34 C ATOM 893 O VAL A 58 -5.789 -5.145 1.329 1.00 53.21 O ATOM 894 CB VAL A 58 -7.328 -2.317 2.046 1.00 2.21 C ATOM 895 CG1 VAL A 58 -5.841 -2.091 2.127 1.00 35.24 C ATOM 896 CG2 VAL A 58 -7.948 -1.142 1.328 1.00 22.01 C ATOM 0 H VAL A 58 -9.583 -3.477 2.106 1.00 64.13 H new ATOM 0 HA VAL A 58 -7.401 -3.522 0.250 1.00 0.32 H new ATOM 0 HB VAL A 58 -7.732 -2.402 3.055 1.00 2.21 H new ATOM 0 HG11 VAL A 58 -5.643 -1.156 2.651 1.00 35.24 H new ATOM 0 HG12 VAL A 58 -5.377 -2.915 2.668 1.00 35.24 H new ATOM 0 HG13 VAL A 58 -5.426 -2.038 1.121 1.00 35.24 H new ATOM 0 HG21 VAL A 58 -7.704 -0.221 1.858 1.00 22.01 H new ATOM 0 HG22 VAL A 58 -7.558 -1.090 0.312 1.00 22.01 H new ATOM 0 HG23 VAL A 58 -9.030 -1.266 1.295 1.00 22.01 H new ATOM 906 N GLU A 59 -7.370 -5.463 2.895 1.00 32.05 N ATOM 907 CA GLU A 59 -6.675 -6.577 3.552 1.00 12.12 C ATOM 908 C GLU A 59 -6.345 -7.665 2.548 1.00 2.53 C ATOM 909 O GLU A 59 -5.232 -8.186 2.521 1.00 0.30 O ATOM 910 CB GLU A 59 -7.545 -7.186 4.629 1.00 30.25 C ATOM 911 CG GLU A 59 -8.053 -6.216 5.659 1.00 53.43 C ATOM 912 CD GLU A 59 -8.825 -6.918 6.728 1.00 45.25 C ATOM 913 OE1 GLU A 59 -9.999 -7.285 6.498 1.00 4.43 O ATOM 914 OE2 GLU A 59 -8.259 -7.144 7.811 1.00 21.31 O ATOM 0 H GLU A 59 -8.277 -5.238 3.303 1.00 32.05 H new ATOM 0 HA GLU A 59 -5.760 -6.179 3.990 1.00 12.12 H new ATOM 0 HB2 GLU A 59 -8.399 -7.670 4.155 1.00 30.25 H new ATOM 0 HB3 GLU A 59 -6.977 -7.967 5.136 1.00 30.25 H new ATOM 0 HG2 GLU A 59 -7.214 -5.682 6.104 1.00 53.43 H new ATOM 0 HG3 GLU A 59 -8.687 -5.471 5.179 1.00 53.43 H new ATOM 921 N ARG A 60 -7.325 -7.983 1.718 1.00 4.32 N ATOM 922 CA ARG A 60 -7.194 -9.024 0.710 1.00 23.02 C ATOM 923 C ARG A 60 -6.033 -8.743 -0.231 1.00 13.15 C ATOM 924 O ARG A 60 -5.173 -9.589 -0.441 1.00 75.53 O ATOM 925 CB ARG A 60 -8.485 -9.152 -0.087 1.00 21.43 C ATOM 926 CG ARG A 60 -9.714 -9.611 0.702 1.00 64.12 C ATOM 927 CD ARG A 60 -9.578 -11.041 1.242 1.00 13.33 C ATOM 928 NE ARG A 60 -8.626 -11.178 2.360 1.00 71.32 N ATOM 929 CZ ARG A 60 -7.722 -12.168 2.476 1.00 23.53 C ATOM 930 NH1 ARG A 60 -7.491 -12.985 1.457 1.00 50.43 N ATOM 931 NH2 ARG A 60 -7.030 -12.313 3.597 1.00 41.45 N ATOM 0 H ARG A 60 -8.237 -7.526 1.724 1.00 4.32 H new ATOM 0 HA ARG A 60 -6.993 -9.962 1.227 1.00 23.02 H new ATOM 0 HB2 ARG A 60 -8.708 -8.186 -0.539 1.00 21.43 H new ATOM 0 HB3 ARG A 60 -8.318 -9.855 -0.903 1.00 21.43 H new ATOM 0 HG2 ARG A 60 -9.880 -8.928 1.535 1.00 64.12 H new ATOM 0 HG3 ARG A 60 -10.594 -9.552 0.061 1.00 64.12 H new ATOM 0 HD2 ARG A 60 -10.558 -11.388 1.570 1.00 13.33 H new ATOM 0 HD3 ARG A 60 -9.263 -11.696 0.429 1.00 13.33 H new ATOM 0 HE ARG A 60 -8.655 -10.473 3.097 1.00 71.32 H new ATOM 0 HH11 ARG A 60 -7.999 -12.864 0.581 1.00 50.43 H new ATOM 0 HH12 ARG A 60 -6.805 -13.734 1.549 1.00 50.43 H new ATOM 0 HH21 ARG A 60 -7.182 -11.673 4.376 1.00 41.45 H new ATOM 0 HH22 ARG A 60 -6.346 -13.065 3.680 1.00 41.45 H new ATOM 945 N ILE A 61 -6.003 -7.545 -0.773 1.00 62.32 N ATOM 946 CA ILE A 61 -4.964 -7.163 -1.712 1.00 1.14 C ATOM 947 C ILE A 61 -3.594 -6.995 -1.062 1.00 32.01 C ATOM 948 O ILE A 61 -2.568 -7.286 -1.687 1.00 4.20 O ATOM 949 CB ILE A 61 -5.348 -5.956 -2.579 1.00 41.52 C ATOM 950 CG1 ILE A 61 -5.899 -4.815 -1.717 1.00 53.40 C ATOM 951 CG2 ILE A 61 -6.350 -6.378 -3.664 1.00 3.41 C ATOM 952 CD1 ILE A 61 -6.282 -3.581 -2.490 1.00 44.34 C ATOM 0 H ILE A 61 -6.688 -6.814 -0.580 1.00 62.32 H new ATOM 0 HA ILE A 61 -4.873 -8.010 -2.392 1.00 1.14 H new ATOM 0 HB ILE A 61 -4.451 -5.583 -3.074 1.00 41.52 H new ATOM 0 HG12 ILE A 61 -6.773 -5.175 -1.175 1.00 53.40 H new ATOM 0 HG13 ILE A 61 -5.151 -4.545 -0.972 1.00 53.40 H new ATOM 0 HG21 ILE A 61 -6.614 -5.513 -4.272 1.00 3.41 H new ATOM 0 HG22 ILE A 61 -5.900 -7.143 -4.297 1.00 3.41 H new ATOM 0 HG23 ILE A 61 -7.248 -6.779 -3.194 1.00 3.41 H new ATOM 0 HD11 ILE A 61 -6.662 -2.825 -1.803 1.00 44.34 H new ATOM 0 HD12 ILE A 61 -5.407 -3.192 -3.011 1.00 44.34 H new ATOM 0 HD13 ILE A 61 -7.055 -3.832 -3.217 1.00 44.34 H new ATOM 964 N ILE A 62 -3.571 -6.539 0.189 1.00 70.45 N ATOM 965 CA ILE A 62 -2.319 -6.480 0.945 1.00 71.32 C ATOM 966 C ILE A 62 -1.737 -7.886 1.076 1.00 23.11 C ATOM 967 O ILE A 62 -0.556 -8.094 0.833 1.00 51.14 O ATOM 968 CB ILE A 62 -2.485 -5.841 2.359 1.00 52.51 C ATOM 969 CG1 ILE A 62 -2.926 -4.382 2.247 1.00 1.42 C ATOM 970 CG2 ILE A 62 -1.189 -5.938 3.157 1.00 43.24 C ATOM 971 CD1 ILE A 62 -3.084 -3.683 3.588 1.00 53.10 C ATOM 0 H ILE A 62 -4.392 -6.209 0.696 1.00 70.45 H new ATOM 0 HA ILE A 62 -1.639 -5.835 0.389 1.00 71.32 H new ATOM 0 HB ILE A 62 -3.258 -6.399 2.887 1.00 52.51 H new ATOM 0 HG12 ILE A 62 -2.197 -3.837 1.648 1.00 1.42 H new ATOM 0 HG13 ILE A 62 -3.875 -4.339 1.712 1.00 1.42 H new ATOM 0 HG21 ILE A 62 -1.331 -5.486 4.138 1.00 43.24 H new ATOM 0 HG22 ILE A 62 -0.913 -6.986 3.277 1.00 43.24 H new ATOM 0 HG23 ILE A 62 -0.395 -5.412 2.627 1.00 43.24 H new ATOM 0 HD11 ILE A 62 -3.399 -2.652 3.426 1.00 53.10 H new ATOM 0 HD12 ILE A 62 -3.835 -4.203 4.183 1.00 53.10 H new ATOM 0 HD13 ILE A 62 -2.131 -3.693 4.118 1.00 53.10 H new ATOM 983 N GLN A 63 -2.591 -8.849 1.420 1.00 14.14 N ATOM 984 CA GLN A 63 -2.184 -10.257 1.519 1.00 2.12 C ATOM 985 C GLN A 63 -1.610 -10.754 0.218 1.00 51.34 C ATOM 986 O GLN A 63 -0.599 -11.452 0.204 1.00 42.24 O ATOM 987 CB GLN A 63 -3.357 -11.131 1.925 1.00 51.52 C ATOM 988 CG GLN A 63 -3.810 -10.920 3.341 1.00 34.21 C ATOM 989 CD GLN A 63 -2.750 -11.327 4.340 1.00 10.00 C ATOM 990 OE1 GLN A 63 -2.700 -12.474 4.772 1.00 61.31 O ATOM 991 NE2 GLN A 63 -1.905 -10.410 4.716 1.00 50.35 N ATOM 0 H GLN A 63 -3.574 -8.682 1.636 1.00 14.14 H new ATOM 0 HA GLN A 63 -1.412 -10.318 2.286 1.00 2.12 H new ATOM 0 HB2 GLN A 63 -4.193 -10.936 1.253 1.00 51.52 H new ATOM 0 HB3 GLN A 63 -3.081 -12.177 1.794 1.00 51.52 H new ATOM 0 HG2 GLN A 63 -4.063 -9.870 3.488 1.00 34.21 H new ATOM 0 HG3 GLN A 63 -4.718 -11.495 3.521 1.00 34.21 H new ATOM 0 HE21 GLN A 63 -1.975 -9.466 4.337 1.00 50.35 H new ATOM 0 HE22 GLN A 63 -1.173 -10.636 5.390 1.00 50.35 H new ATOM 1000 N ARG A 64 -2.249 -10.381 -0.874 1.00 30.20 N ATOM 1001 CA ARG A 64 -1.801 -10.754 -2.189 1.00 33.44 C ATOM 1002 C ARG A 64 -0.382 -10.251 -2.468 1.00 73.11 C ATOM 1003 O ARG A 64 0.428 -10.962 -3.070 1.00 53.12 O ATOM 1004 CB ARG A 64 -2.774 -10.275 -3.231 1.00 42.34 C ATOM 1005 CG ARG A 64 -4.153 -10.868 -3.056 1.00 25.33 C ATOM 1006 CD ARG A 64 -5.068 -10.407 -4.136 1.00 43.53 C ATOM 1007 NE ARG A 64 -6.462 -10.819 -3.901 1.00 20.24 N ATOM 1008 CZ ARG A 64 -7.412 -10.855 -4.847 1.00 1.40 C ATOM 1009 NH1 ARG A 64 -7.104 -10.596 -6.106 1.00 73.51 N ATOM 1010 NH2 ARG A 64 -8.671 -11.163 -4.528 1.00 63.22 N ATOM 0 H ARG A 64 -3.094 -9.810 -0.867 1.00 30.20 H new ATOM 0 HA ARG A 64 -1.763 -11.842 -2.236 1.00 33.44 H new ATOM 0 HB2 ARG A 64 -2.842 -9.188 -3.187 1.00 42.34 H new ATOM 0 HB3 ARG A 64 -2.396 -10.531 -4.221 1.00 42.34 H new ATOM 0 HG2 ARG A 64 -4.090 -11.956 -3.067 1.00 25.33 H new ATOM 0 HG3 ARG A 64 -4.556 -10.582 -2.085 1.00 25.33 H new ATOM 0 HD2 ARG A 64 -5.020 -9.321 -4.211 1.00 43.53 H new ATOM 0 HD3 ARG A 64 -4.729 -10.807 -5.092 1.00 43.53 H new ATOM 0 HE ARG A 64 -6.723 -11.096 -2.955 1.00 20.24 H new ATOM 0 HH11 ARG A 64 -6.143 -10.368 -6.359 1.00 73.51 H new ATOM 0 HH12 ARG A 64 -7.828 -10.624 -6.824 1.00 73.51 H new ATOM 0 HH21 ARG A 64 -8.915 -11.373 -3.560 1.00 63.22 H new ATOM 0 HH22 ARG A 64 -9.389 -11.189 -5.252 1.00 63.22 H new ATOM 1024 N LEU A 65 -0.067 -9.051 -2.015 1.00 43.25 N ATOM 1025 CA LEU A 65 1.280 -8.537 -2.160 1.00 63.34 C ATOM 1026 C LEU A 65 2.236 -9.106 -1.107 1.00 75.43 C ATOM 1027 O LEU A 65 3.404 -9.326 -1.395 1.00 11.05 O ATOM 1028 CB LEU A 65 1.312 -7.012 -2.178 1.00 31.32 C ATOM 1029 CG LEU A 65 0.677 -6.337 -3.399 1.00 34.41 C ATOM 1030 CD1 LEU A 65 0.728 -4.832 -3.244 1.00 15.45 C ATOM 1031 CD2 LEU A 65 1.396 -6.754 -4.677 1.00 74.44 C ATOM 0 H LEU A 65 -0.719 -8.421 -1.548 1.00 43.25 H new ATOM 0 HA LEU A 65 1.636 -8.880 -3.131 1.00 63.34 H new ATOM 0 HB2 LEU A 65 0.806 -6.648 -1.284 1.00 31.32 H new ATOM 0 HB3 LEU A 65 2.351 -6.690 -2.110 1.00 31.32 H new ATOM 0 HG LEU A 65 -0.364 -6.654 -3.468 1.00 34.41 H new ATOM 0 HD11 LEU A 65 0.275 -4.361 -4.116 1.00 15.45 H new ATOM 0 HD12 LEU A 65 0.180 -4.540 -2.348 1.00 15.45 H new ATOM 0 HD13 LEU A 65 1.766 -4.510 -3.156 1.00 15.45 H new ATOM 0 HD21 LEU A 65 0.931 -6.265 -5.533 1.00 74.44 H new ATOM 0 HD22 LEU A 65 2.444 -6.461 -4.617 1.00 74.44 H new ATOM 0 HD23 LEU A 65 1.328 -7.835 -4.796 1.00 74.44 H new ATOM 1043 N GLN A 66 1.747 -9.363 0.103 1.00 0.24 N ATOM 1044 CA GLN A 66 2.605 -9.934 1.145 1.00 71.30 C ATOM 1045 C GLN A 66 3.001 -11.367 0.836 1.00 71.52 C ATOM 1046 O GLN A 66 4.145 -11.737 1.012 1.00 61.45 O ATOM 1047 CB GLN A 66 2.013 -9.823 2.560 1.00 41.41 C ATOM 1048 CG GLN A 66 1.831 -8.399 3.043 1.00 53.45 C ATOM 1049 CD GLN A 66 1.414 -8.310 4.503 1.00 23.33 C ATOM 1050 OE1 GLN A 66 0.225 -8.318 4.834 1.00 71.15 O ATOM 1051 NE2 GLN A 66 2.383 -8.204 5.381 1.00 4.23 N ATOM 0 H GLN A 66 0.782 -9.191 0.386 1.00 0.24 H new ATOM 0 HA GLN A 66 3.507 -9.322 1.138 1.00 71.30 H new ATOM 0 HB2 GLN A 66 1.047 -10.328 2.579 1.00 41.41 H new ATOM 0 HB3 GLN A 66 2.663 -10.352 3.257 1.00 41.41 H new ATOM 0 HG2 GLN A 66 2.764 -7.853 2.905 1.00 53.45 H new ATOM 0 HG3 GLN A 66 1.079 -7.906 2.426 1.00 53.45 H new ATOM 0 HE21 GLN A 66 3.355 -8.201 5.070 1.00 4.23 H new ATOM 0 HE22 GLN A 66 2.165 -8.125 6.374 1.00 4.23 H new ATOM 1060 N ARG A 67 2.063 -12.161 0.343 1.00 34.11 N ATOM 1061 CA ARG A 67 2.346 -13.566 0.004 1.00 34.44 C ATOM 1062 C ARG A 67 3.380 -13.657 -1.123 1.00 40.10 C ATOM 1063 O ARG A 67 4.192 -14.576 -1.164 1.00 62.43 O ATOM 1064 CB ARG A 67 1.063 -14.312 -0.401 1.00 12.23 C ATOM 1065 CG ARG A 67 0.413 -13.807 -1.676 1.00 25.10 C ATOM 1066 CD ARG A 67 -0.845 -14.569 -1.998 1.00 53.34 C ATOM 1067 NE ARG A 67 -1.480 -14.095 -3.231 1.00 52.12 N ATOM 1068 CZ ARG A 67 -2.710 -14.443 -3.625 1.00 32.23 C ATOM 1069 NH1 ARG A 67 -3.437 -15.280 -2.889 1.00 21.12 N ATOM 1070 NH2 ARG A 67 -3.205 -13.961 -4.757 1.00 61.43 N ATOM 0 H ARG A 67 1.102 -11.868 0.166 1.00 34.11 H new ATOM 0 HA ARG A 67 2.754 -14.041 0.896 1.00 34.44 H new ATOM 0 HB2 ARG A 67 1.297 -15.370 -0.522 1.00 12.23 H new ATOM 0 HB3 ARG A 67 0.342 -14.236 0.413 1.00 12.23 H new ATOM 0 HG2 ARG A 67 0.180 -12.747 -1.571 1.00 25.10 H new ATOM 0 HG3 ARG A 67 1.116 -13.898 -2.504 1.00 25.10 H new ATOM 0 HD2 ARG A 67 -0.610 -15.629 -2.097 1.00 53.34 H new ATOM 0 HD3 ARG A 67 -1.547 -14.474 -1.170 1.00 53.34 H new ATOM 0 HE ARG A 67 -0.950 -13.459 -3.827 1.00 52.12 H new ATOM 0 HH11 ARG A 67 -3.057 -15.658 -2.021 1.00 21.12 H new ATOM 0 HH12 ARG A 67 -4.375 -15.543 -3.192 1.00 21.12 H new ATOM 0 HH21 ARG A 67 -2.648 -13.325 -5.327 1.00 61.43 H new ATOM 0 HH22 ARG A 67 -4.143 -14.226 -5.057 1.00 61.43 H new ATOM 1084 N THR A 68 3.348 -12.690 -2.016 1.00 15.21 N ATOM 1085 CA THR A 68 4.250 -12.649 -3.135 1.00 71.22 C ATOM 1086 C THR A 68 5.581 -12.011 -2.759 1.00 22.50 C ATOM 1087 O THR A 68 6.586 -12.173 -3.443 1.00 60.45 O ATOM 1088 CB THR A 68 3.609 -11.958 -4.349 1.00 3.35 C ATOM 1089 OG1 THR A 68 3.083 -10.678 -3.961 1.00 31.11 O ATOM 1090 CG2 THR A 68 2.492 -12.807 -4.930 1.00 74.31 C ATOM 0 H THR A 68 2.691 -11.910 -1.981 1.00 15.21 H new ATOM 0 HA THR A 68 4.459 -13.679 -3.423 1.00 71.22 H new ATOM 0 HB THR A 68 4.378 -11.825 -5.110 1.00 3.35 H new ATOM 0 HG1 THR A 68 2.153 -10.781 -3.668 1.00 31.11 H new ATOM 0 HG21 THR A 68 2.055 -12.296 -5.788 1.00 74.31 H new ATOM 0 HG22 THR A 68 2.894 -13.769 -5.247 1.00 74.31 H new ATOM 0 HG23 THR A 68 1.724 -12.966 -4.173 1.00 74.31 H new ATOM 1098 N SER A 69 5.567 -11.277 -1.683 1.00 62.01 N ATOM 1099 CA SER A 69 6.754 -10.657 -1.169 1.00 21.23 C ATOM 1100 C SER A 69 7.495 -11.649 -0.263 1.00 41.42 C ATOM 1101 O SER A 69 8.719 -11.756 -0.309 1.00 71.41 O ATOM 1102 CB SER A 69 6.385 -9.373 -0.402 1.00 64.55 C ATOM 1103 OG SER A 69 7.527 -8.680 0.063 1.00 43.33 O ATOM 0 H SER A 69 4.727 -11.091 -1.135 1.00 62.01 H new ATOM 0 HA SER A 69 7.413 -10.380 -1.992 1.00 21.23 H new ATOM 0 HB2 SER A 69 5.805 -8.718 -1.052 1.00 64.55 H new ATOM 0 HB3 SER A 69 5.748 -9.628 0.445 1.00 64.55 H new ATOM 0 HG SER A 69 7.247 -7.872 0.542 1.00 43.33 H new ATOM 1109 N ALA A 70 6.734 -12.376 0.545 1.00 40.03 N ATOM 1110 CA ALA A 70 7.282 -13.382 1.444 1.00 4.14 C ATOM 1111 C ALA A 70 7.835 -14.551 0.647 1.00 42.31 C ATOM 1112 O ALA A 70 8.927 -15.058 0.936 1.00 53.13 O ATOM 1113 CB ALA A 70 6.219 -13.850 2.427 1.00 15.42 C ATOM 0 H ALA A 70 5.719 -12.284 0.595 1.00 40.03 H new ATOM 0 HA ALA A 70 8.099 -12.938 2.014 1.00 4.14 H new ATOM 0 HB1 ALA A 70 6.644 -14.602 3.092 1.00 15.42 H new ATOM 0 HB2 ALA A 70 5.869 -13.002 3.015 1.00 15.42 H new ATOM 0 HB3 ALA A 70 5.382 -14.282 1.879 1.00 15.42 H new ATOM 1119 N LYS A 71 7.080 -14.986 -0.339 1.00 70.32 N ATOM 1120 CA LYS A 71 7.546 -15.992 -1.248 1.00 14.12 C ATOM 1121 C LYS A 71 7.804 -15.343 -2.573 1.00 20.15 C ATOM 1122 O LYS A 71 6.887 -15.093 -3.357 1.00 74.22 O ATOM 1123 CB LYS A 71 6.579 -17.164 -1.356 1.00 21.42 C ATOM 1124 CG LYS A 71 7.015 -18.236 -2.342 1.00 33.45 C ATOM 1125 CD LYS A 71 6.081 -19.431 -2.317 1.00 64.01 C ATOM 1126 CE LYS A 71 6.480 -20.472 -3.356 1.00 21.34 C ATOM 1127 NZ LYS A 71 7.868 -20.966 -3.170 1.00 3.24 N ATOM 0 H LYS A 71 6.135 -14.651 -0.526 1.00 70.32 H new ATOM 0 HA LYS A 71 8.473 -16.422 -0.870 1.00 14.12 H new ATOM 0 HB2 LYS A 71 6.461 -17.617 -0.371 1.00 21.42 H new ATOM 0 HB3 LYS A 71 5.600 -16.788 -1.653 1.00 21.42 H new ATOM 0 HG2 LYS A 71 7.043 -17.816 -3.348 1.00 33.45 H new ATOM 0 HG3 LYS A 71 8.028 -18.560 -2.104 1.00 33.45 H new ATOM 0 HD2 LYS A 71 6.092 -19.882 -1.325 1.00 64.01 H new ATOM 0 HD3 LYS A 71 5.060 -19.100 -2.505 1.00 64.01 H new ATOM 0 HE2 LYS A 71 5.789 -21.314 -3.304 1.00 21.34 H new ATOM 0 HE3 LYS A 71 6.383 -20.041 -4.352 1.00 21.34 H new ATOM 0 HZ1 LYS A 71 8.031 -21.786 -3.789 1.00 3.24 H new ATOM 0 HZ2 LYS A 71 8.541 -20.211 -3.412 1.00 3.24 H new ATOM 0 HZ3 LYS A 71 8.006 -21.248 -2.179 1.00 3.24 H new ATOM 1141 N MET A 72 9.041 -15.048 -2.801 1.00 51.24 N ATOM 1142 CA MET A 72 9.446 -14.272 -3.953 1.00 11.14 C ATOM 1143 C MET A 72 9.696 -15.125 -5.192 1.00 35.33 C ATOM 1144 O MET A 72 10.380 -16.168 -5.132 1.00 75.23 O ATOM 1145 CB MET A 72 10.681 -13.407 -3.630 1.00 34.01 C ATOM 1146 CG MET A 72 11.906 -14.190 -3.202 1.00 22.21 C ATOM 1147 SD MET A 72 13.341 -13.145 -2.886 1.00 4.30 S ATOM 1148 CE MET A 72 14.565 -14.384 -2.454 1.00 21.04 C ATOM 0 H MET A 72 9.812 -15.334 -2.198 1.00 51.24 H new ATOM 0 HA MET A 72 8.607 -13.617 -4.190 1.00 11.14 H new ATOM 0 HB2 MET A 72 10.934 -12.815 -4.510 1.00 34.01 H new ATOM 0 HB3 MET A 72 10.420 -12.705 -2.838 1.00 34.01 H new ATOM 0 HG2 MET A 72 11.671 -14.756 -2.301 1.00 22.21 H new ATOM 0 HG3 MET A 72 12.156 -14.914 -3.977 1.00 22.21 H new ATOM 0 HE1 MET A 72 15.513 -13.896 -2.230 1.00 21.04 H new ATOM 0 HE2 MET A 72 14.227 -14.940 -1.579 1.00 21.04 H new ATOM 0 HE3 MET A 72 14.699 -15.070 -3.290 1.00 21.04 H new ATOM 1158 N LYS A 73 9.130 -14.686 -6.299 1.00 33.34 N ATOM 1159 CA LYS A 73 9.325 -15.297 -7.594 1.00 75.41 C ATOM 1160 C LYS A 73 8.885 -14.342 -8.696 1.00 11.14 C ATOM 1161 O LYS A 73 7.714 -13.985 -8.804 1.00 32.31 O ATOM 1162 CB LYS A 73 8.603 -16.665 -7.747 1.00 2.35 C ATOM 1163 CG LYS A 73 7.090 -16.639 -7.535 1.00 12.02 C ATOM 1164 CD LYS A 73 6.438 -17.950 -7.960 1.00 43.53 C ATOM 1165 CE LYS A 73 6.970 -19.138 -7.183 1.00 11.44 C ATOM 1166 NZ LYS A 73 6.357 -20.409 -7.633 1.00 22.05 N ATOM 0 H LYS A 73 8.509 -13.877 -6.321 1.00 33.34 H new ATOM 0 HA LYS A 73 10.392 -15.501 -7.683 1.00 75.41 H new ATOM 0 HB2 LYS A 73 8.806 -17.053 -8.745 1.00 2.35 H new ATOM 0 HB3 LYS A 73 9.040 -17.368 -7.037 1.00 2.35 H new ATOM 0 HG2 LYS A 73 6.873 -16.449 -6.484 1.00 12.02 H new ATOM 0 HG3 LYS A 73 6.657 -15.816 -8.104 1.00 12.02 H new ATOM 0 HD2 LYS A 73 5.360 -17.879 -7.817 1.00 43.53 H new ATOM 0 HD3 LYS A 73 6.609 -18.109 -9.025 1.00 43.53 H new ATOM 0 HE2 LYS A 73 8.052 -19.195 -7.301 1.00 11.44 H new ATOM 0 HE3 LYS A 73 6.772 -18.995 -6.121 1.00 11.44 H new ATOM 0 HZ1 LYS A 73 6.746 -21.198 -7.078 1.00 22.05 H new ATOM 0 HZ2 LYS A 73 5.327 -20.365 -7.497 1.00 22.05 H new ATOM 0 HZ3 LYS A 73 6.567 -20.558 -8.641 1.00 22.05 H new ATOM 1180 N ARG A 74 9.819 -13.895 -9.472 1.00 11.04 N ATOM 1181 CA ARG A 74 9.508 -13.060 -10.606 1.00 10.15 C ATOM 1182 C ARG A 74 9.502 -13.913 -11.852 1.00 1.31 C ATOM 1183 O ARG A 74 8.571 -13.886 -12.643 1.00 22.34 O ATOM 1184 CB ARG A 74 10.503 -11.909 -10.732 1.00 52.24 C ATOM 1185 CG ARG A 74 10.477 -10.954 -9.550 1.00 73.51 C ATOM 1186 CD ARG A 74 11.464 -9.818 -9.730 1.00 52.02 C ATOM 1187 NE ARG A 74 12.848 -10.287 -9.843 1.00 23.13 N ATOM 1188 CZ ARG A 74 13.859 -9.563 -10.346 1.00 53.23 C ATOM 1189 NH1 ARG A 74 13.653 -8.331 -10.800 1.00 20.32 N ATOM 1190 NH2 ARG A 74 15.074 -10.075 -10.400 1.00 65.23 N ATOM 0 H ARG A 74 10.812 -14.091 -9.347 1.00 11.04 H new ATOM 0 HA ARG A 74 8.523 -12.615 -10.467 1.00 10.15 H new ATOM 0 HB2 ARG A 74 11.508 -12.318 -10.837 1.00 52.24 H new ATOM 0 HB3 ARG A 74 10.289 -11.352 -11.644 1.00 52.24 H new ATOM 0 HG2 ARG A 74 9.472 -10.549 -9.431 1.00 73.51 H new ATOM 0 HG3 ARG A 74 10.711 -11.499 -8.636 1.00 73.51 H new ATOM 0 HD2 ARG A 74 11.202 -9.252 -10.624 1.00 52.02 H new ATOM 0 HD3 ARG A 74 11.384 -9.134 -8.885 1.00 52.02 H new ATOM 0 HE ARG A 74 13.057 -11.230 -9.516 1.00 23.13 H new ATOM 0 HH11 ARG A 74 12.718 -7.926 -10.768 1.00 20.32 H new ATOM 0 HH12 ARG A 74 14.430 -7.791 -11.180 1.00 20.32 H new ATOM 0 HH21 ARG A 74 15.244 -11.021 -10.059 1.00 65.23 H new ATOM 0 HH22 ARG A 74 15.843 -9.525 -10.782 1.00 65.23 H new ATOM 1204 N ARG A 75 10.535 -14.696 -12.002 1.00 53.13 N ATOM 1205 CA ARG A 75 10.635 -15.605 -13.103 1.00 11.53 C ATOM 1206 C ARG A 75 10.825 -17.004 -12.564 1.00 11.43 C ATOM 1207 O ARG A 75 9.957 -17.849 -12.707 1.00 34.30 O ATOM 1208 CB ARG A 75 11.795 -15.237 -14.033 1.00 23.45 C ATOM 1209 CG ARG A 75 11.702 -13.848 -14.644 1.00 12.53 C ATOM 1210 CD ARG A 75 12.856 -13.610 -15.586 1.00 21.21 C ATOM 1211 NE ARG A 75 12.823 -12.287 -16.206 1.00 11.25 N ATOM 1212 CZ ARG A 75 13.684 -11.876 -17.134 1.00 25.50 C ATOM 1213 NH1 ARG A 75 14.620 -12.709 -17.587 1.00 15.41 N ATOM 1214 NH2 ARG A 75 13.597 -10.643 -17.623 1.00 12.12 N ATOM 0 H ARG A 75 11.329 -14.719 -11.363 1.00 53.13 H new ATOM 0 HA ARG A 75 9.717 -15.548 -13.688 1.00 11.53 H new ATOM 0 HB2 ARG A 75 12.728 -15.312 -13.475 1.00 23.45 H new ATOM 0 HB3 ARG A 75 11.845 -15.971 -14.838 1.00 23.45 H new ATOM 0 HG2 ARG A 75 10.759 -13.742 -15.180 1.00 12.53 H new ATOM 0 HG3 ARG A 75 11.707 -13.096 -13.855 1.00 12.53 H new ATOM 0 HD2 ARG A 75 13.793 -13.727 -15.041 1.00 21.21 H new ATOM 0 HD3 ARG A 75 12.844 -14.371 -16.366 1.00 21.21 H new ATOM 0 HE ARG A 75 12.094 -11.638 -15.909 1.00 11.25 H new ATOM 0 HH11 ARG A 75 14.676 -13.660 -17.223 1.00 15.41 H new ATOM 0 HH12 ARG A 75 15.281 -12.396 -18.298 1.00 15.41 H new ATOM 0 HH21 ARG A 75 12.870 -10.011 -17.287 1.00 12.12 H new ATOM 0 HH22 ARG A 75 14.257 -10.329 -18.334 1.00 12.12 H new ATOM 1228 N SER A 76 11.985 -17.228 -11.923 1.00 42.40 N ATOM 1229 CA SER A 76 12.360 -18.521 -11.330 1.00 21.21 C ATOM 1230 C SER A 76 12.457 -19.617 -12.403 1.00 2.32 C ATOM 1231 O SER A 76 12.464 -20.820 -12.112 1.00 74.12 O ATOM 1232 CB SER A 76 11.395 -18.879 -10.202 1.00 71.33 C ATOM 1233 OG SER A 76 11.414 -17.846 -9.212 1.00 22.10 O ATOM 0 H SER A 76 12.696 -16.507 -11.801 1.00 42.40 H new ATOM 0 HA SER A 76 13.355 -18.438 -10.892 1.00 21.21 H new ATOM 0 HB2 SER A 76 10.386 -19.000 -10.597 1.00 71.33 H new ATOM 0 HB3 SER A 76 11.679 -19.831 -9.755 1.00 71.33 H new ATOM 0 HG SER A 76 10.793 -18.075 -8.489 1.00 22.10 H new ATOM 1239 N SER A 77 12.583 -19.162 -13.624 1.00 50.42 N ATOM 1240 CA SER A 77 12.738 -19.978 -14.769 1.00 30.21 C ATOM 1241 C SER A 77 14.176 -19.806 -15.209 1.00 45.34 C ATOM 1242 O SER A 77 15.013 -20.655 -14.875 1.00 37.74 O ATOM 1243 CB SER A 77 11.747 -19.516 -15.867 1.00 33.40 C ATOM 1244 OG SER A 77 11.811 -20.323 -17.044 1.00 33.44 O ATOM 1245 OXT SER A 77 14.496 -18.755 -15.799 1.00 37.74 O ATOM 0 H SER A 77 12.578 -18.165 -13.841 1.00 50.42 H new ATOM 0 HA SER A 77 12.525 -21.028 -14.567 1.00 30.21 H new ATOM 0 HB2 SER A 77 10.733 -19.542 -15.469 1.00 33.40 H new ATOM 0 HB3 SER A 77 11.960 -18.480 -16.130 1.00 33.40 H new ATOM 0 HG SER A 77 11.167 -19.991 -17.704 1.00 33.44 H new TER 1251 SER A 77