USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 876 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 24 ASN : amide:sc= -2.19 K(o=-5.9,f=-12!) USER MOD Set 1.2: A 27 HIS : no HE2:sc= -2.41 K(o=-5.9,f=-12!) USER MOD Set 1.3: A 102 ASN : amide:sc= -1.84 K(o=-5.9,f=-10!) USER MOD Set 1.4: A 104 LYS NZ :NH3+ 167:sc= 0.527 (180deg=0) USER MOD Set 2.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 2 SER OG : rot 180:sc= -0.347 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0.097) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 92:sc= 0.0376 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0937 USER MOD Single : A 31 GLN : amide:sc= -0.569 K(o=-0.57,f=-1.2) USER MOD Single : A 32 GLN : amide:sc= -0.0829 K(o=-0.083,f=-1.8!) USER MOD Single : A 34 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0667 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.067 USER MOD Single : A 41 THR OG1 : rot 8:sc= -0.709 USER MOD Single : A 43 GLN : amide:sc= -3.48 X(o=-3.5,f=-4) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 67 ASN : amide:sc= -0.0987 K(o=-0.099,f=-2.1!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.591 K(o=-0.59,f=-1.2) USER MOD Single : A 99 GLN : amide:sc= -2.83 X(o=-2.8,f=-2.7) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.587 X(o=-0.59,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.567 -54.059 7.231 1.00 0.00 N ATOM 2 CA MET A 1 -18.853 -54.009 5.802 1.00 0.00 C ATOM 3 C MET A 1 -17.797 -53.195 5.064 1.00 0.00 C ATOM 4 O MET A 1 -18.076 -52.106 4.563 1.00 0.00 O ATOM 5 CB MET A 1 -20.239 -53.409 5.558 1.00 0.00 C ATOM 6 CG MET A 1 -21.368 -54.422 5.660 1.00 0.00 C ATOM 7 SD MET A 1 -22.974 -53.718 5.241 1.00 0.00 S ATOM 8 CE MET A 1 -23.975 -55.199 5.130 1.00 0.00 C ATOM 0 H1 MET A 1 -19.300 -54.619 7.712 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.638 -54.501 7.384 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.559 -53.094 7.617 1.00 0.00 H new ATOM 0 HA MET A 1 -18.834 -55.029 5.418 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.412 -52.611 6.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.259 -52.954 4.568 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.159 -55.261 4.996 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.404 -54.820 6.674 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.000 -54.927 4.877 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.572 -55.854 4.358 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.964 -55.718 6.088 1.00 0.00 H new ATOM 17 N SER A 2 -16.580 -53.729 5.003 1.00 0.00 N ATOM 18 CA SER A 2 -15.480 -53.049 4.329 1.00 0.00 C ATOM 19 C SER A 2 -14.384 -54.038 3.946 1.00 0.00 C ATOM 20 O SER A 2 -13.578 -54.445 4.784 1.00 0.00 O ATOM 21 CB SER A 2 -14.904 -51.954 5.228 1.00 0.00 C ATOM 22 OG SER A 2 -15.778 -51.664 6.305 1.00 0.00 O ATOM 0 H SER A 2 -16.332 -54.630 5.412 1.00 0.00 H new ATOM 0 HA SER A 2 -15.869 -52.594 3.418 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.936 -52.270 5.617 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.733 -51.051 4.642 1.00 0.00 H new ATOM 0 HG SER A 2 -15.385 -50.962 6.865 1.00 0.00 H new ATOM 28 N ILE A 3 -14.360 -54.422 2.674 1.00 0.00 N ATOM 29 CA ILE A 3 -13.361 -55.362 2.178 1.00 0.00 C ATOM 30 C ILE A 3 -12.383 -54.675 1.233 1.00 0.00 C ATOM 31 O ILE A 3 -12.690 -53.637 0.651 1.00 0.00 O ATOM 32 CB ILE A 3 -14.019 -56.547 1.448 1.00 0.00 C ATOM 33 CG1 ILE A 3 -14.953 -56.041 0.346 1.00 0.00 C ATOM 34 CG2 ILE A 3 -14.780 -57.421 2.433 1.00 0.00 C ATOM 35 CD1 ILE A 3 -15.311 -57.097 -0.675 1.00 0.00 C ATOM 0 H ILE A 3 -15.021 -54.097 1.968 1.00 0.00 H new ATOM 0 HA ILE A 3 -12.819 -55.737 3.046 1.00 0.00 H new ATOM 0 HB ILE A 3 -13.236 -57.149 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -15.868 -55.663 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -14.480 -55.201 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -15.239 -58.254 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -14.091 -57.806 3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -15.556 -56.830 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -15.975 -56.668 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -14.403 -57.458 -1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -15.813 -57.927 -0.179 1.00 0.00 H new ATOM 47 N GLU A 4 -11.200 -55.266 1.083 1.00 0.00 N ATOM 48 CA GLU A 4 -10.175 -54.711 0.207 1.00 0.00 C ATOM 49 C GLU A 4 -9.004 -55.680 0.060 1.00 0.00 C ATOM 50 O GLU A 4 -8.513 -56.230 1.044 1.00 0.00 O ATOM 51 CB GLU A 4 -9.678 -53.371 0.752 1.00 0.00 C ATOM 52 CG GLU A 4 -9.065 -53.468 2.138 1.00 0.00 C ATOM 53 CD GLU A 4 -8.914 -52.114 2.805 1.00 0.00 C ATOM 54 OE1 GLU A 4 -9.079 -51.089 2.113 1.00 0.00 O ATOM 55 OE2 GLU A 4 -8.632 -52.081 4.021 1.00 0.00 O ATOM 0 H GLU A 4 -10.929 -56.128 1.557 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.619 -54.552 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.938 -52.961 0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.511 -52.668 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.687 -54.109 2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.087 -53.945 2.066 1.00 0.00 H new ATOM 62 N ASN A 5 -8.564 -55.881 -1.178 1.00 0.00 N ATOM 63 CA ASN A 5 -7.452 -56.782 -1.457 1.00 0.00 C ATOM 64 C ASN A 5 -6.497 -56.170 -2.477 1.00 0.00 C ATOM 65 O ASN A 5 -5.324 -55.934 -2.184 1.00 0.00 O ATOM 66 CB ASN A 5 -7.973 -58.126 -1.971 1.00 0.00 C ATOM 67 CG ASN A 5 -7.797 -59.240 -0.957 1.00 0.00 C ATOM 68 OD1 ASN A 5 -8.306 -59.164 0.160 1.00 0.00 O ATOM 69 ND2 ASN A 5 -7.071 -60.283 -1.346 1.00 0.00 N ATOM 0 H ASN A 5 -8.961 -55.432 -2.004 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.907 -56.943 -0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.029 -58.031 -2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.449 -58.389 -2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.917 -61.064 -0.708 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.668 -60.303 -2.283 1.00 0.00 H new ATOM 76 N LEU A 6 -7.007 -55.913 -3.677 1.00 0.00 N ATOM 77 CA LEU A 6 -6.201 -55.328 -4.742 1.00 0.00 C ATOM 78 C LEU A 6 -6.686 -53.922 -5.082 1.00 0.00 C ATOM 79 O LEU A 6 -5.884 -53.005 -5.270 1.00 0.00 O ATOM 80 CB LEU A 6 -6.249 -56.211 -5.989 1.00 0.00 C ATOM 81 CG LEU A 6 -4.902 -56.724 -6.502 1.00 0.00 C ATOM 82 CD1 LEU A 6 -3.963 -55.563 -6.788 1.00 0.00 C ATOM 83 CD2 LEU A 6 -4.279 -57.681 -5.497 1.00 0.00 C ATOM 0 H LEU A 6 -7.975 -56.101 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.171 -55.263 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.885 -57.070 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.729 -55.649 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.071 -57.265 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.010 -55.947 -7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.406 -54.915 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.799 -54.994 -5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.322 -58.036 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.123 -57.164 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.945 -58.530 -5.342 1.00 0.00 H new ATOM 95 N LYS A 7 -8.002 -53.757 -5.155 1.00 0.00 N ATOM 96 CA LYS A 7 -8.595 -52.463 -5.468 1.00 0.00 C ATOM 97 C LYS A 7 -8.290 -51.445 -4.373 1.00 0.00 C ATOM 98 O LYS A 7 -8.324 -51.767 -3.186 1.00 0.00 O ATOM 99 CB LYS A 7 -10.109 -52.601 -5.641 1.00 0.00 C ATOM 100 CG LYS A 7 -10.548 -52.719 -7.091 1.00 0.00 C ATOM 101 CD LYS A 7 -11.892 -53.418 -7.211 1.00 0.00 C ATOM 102 CE LYS A 7 -12.230 -53.730 -8.662 1.00 0.00 C ATOM 103 NZ LYS A 7 -13.337 -52.875 -9.170 1.00 0.00 N ATOM 0 H LYS A 7 -8.679 -54.504 -5.001 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.159 -52.109 -6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.450 -53.480 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.598 -51.737 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.613 -51.725 -7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.797 -53.272 -7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.876 -54.342 -6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.671 -52.788 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.345 -53.583 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.511 -54.779 -8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.537 -53.118 -10.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.190 -53.034 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.059 -51.875 -9.108 1.00 0.00 H new ATOM 117 N SER A 8 -7.990 -50.216 -4.782 1.00 0.00 N ATOM 118 CA SER A 8 -7.676 -49.151 -3.835 1.00 0.00 C ATOM 119 C SER A 8 -7.897 -47.780 -4.467 1.00 0.00 C ATOM 120 O SER A 8 -7.516 -47.543 -5.614 1.00 0.00 O ATOM 121 CB SER A 8 -6.229 -49.277 -3.357 1.00 0.00 C ATOM 122 OG SER A 8 -5.478 -50.119 -4.214 1.00 0.00 O ATOM 0 H SER A 8 -7.958 -49.933 -5.761 1.00 0.00 H new ATOM 0 HA SER A 8 -8.344 -49.249 -2.980 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.769 -48.290 -3.318 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.212 -49.677 -2.343 1.00 0.00 H new ATOM 0 HG SER A 8 -4.556 -50.181 -3.886 1.00 0.00 H new ATOM 128 N PHE A 9 -8.515 -46.879 -3.711 1.00 0.00 N ATOM 129 CA PHE A 9 -8.790 -45.532 -4.196 1.00 0.00 C ATOM 130 C PHE A 9 -7.615 -44.602 -3.907 1.00 0.00 C ATOM 131 O PHE A 9 -7.277 -44.347 -2.751 1.00 0.00 O ATOM 132 CB PHE A 9 -10.060 -44.982 -3.545 1.00 0.00 C ATOM 133 CG PHE A 9 -11.243 -45.900 -3.668 1.00 0.00 C ATOM 134 CD1 PHE A 9 -12.074 -45.835 -4.774 1.00 0.00 C ATOM 135 CD2 PHE A 9 -11.523 -46.828 -2.678 1.00 0.00 C ATOM 136 CE1 PHE A 9 -13.164 -46.679 -4.891 1.00 0.00 C ATOM 137 CE2 PHE A 9 -12.609 -47.674 -2.789 1.00 0.00 C ATOM 138 CZ PHE A 9 -13.431 -47.599 -3.896 1.00 0.00 C ATOM 0 H PHE A 9 -8.835 -47.058 -2.759 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.936 -45.583 -5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.865 -44.793 -2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.306 -44.023 -4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -11.869 -45.117 -5.554 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.884 -46.891 -1.809 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -13.805 -46.619 -5.758 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -12.815 -48.394 -2.011 1.00 0.00 H new ATOM 0 HZ PHE A 9 -14.282 -48.259 -3.984 1.00 0.00 H new ATOM 148 N ASP A 10 -6.992 -44.099 -4.968 1.00 0.00 N ATOM 149 CA ASP A 10 -5.856 -43.197 -4.831 1.00 0.00 C ATOM 150 C ASP A 10 -6.296 -41.742 -4.960 1.00 0.00 C ATOM 151 O ASP A 10 -7.366 -41.436 -5.489 1.00 0.00 O ATOM 152 CB ASP A 10 -4.794 -43.516 -5.887 1.00 0.00 C ATOM 153 CG ASP A 10 -3.643 -44.325 -5.323 1.00 0.00 C ATOM 154 OD1 ASP A 10 -3.250 -44.071 -4.165 1.00 0.00 O ATOM 155 OD2 ASP A 10 -3.133 -45.211 -6.040 1.00 0.00 O ATOM 0 H ASP A 10 -7.256 -44.301 -5.932 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.428 -43.341 -3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.255 -44.067 -6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.410 -42.585 -6.305 1.00 0.00 H new ATOM 160 N PRO A 11 -5.456 -40.823 -4.465 1.00 0.00 N ATOM 161 CA PRO A 11 -5.738 -39.385 -4.512 1.00 0.00 C ATOM 162 C PRO A 11 -5.670 -38.826 -5.930 1.00 0.00 C ATOM 163 O PRO A 11 -5.286 -39.528 -6.865 1.00 0.00 O ATOM 164 CB PRO A 11 -4.634 -38.778 -3.644 1.00 0.00 C ATOM 165 CG PRO A 11 -3.518 -39.763 -3.708 1.00 0.00 C ATOM 166 CD PRO A 11 -4.165 -41.115 -3.821 1.00 0.00 C ATOM 0 HA PRO A 11 -6.746 -39.156 -4.165 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.324 -37.804 -4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.973 -38.630 -2.619 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.873 -39.566 -4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.893 -39.703 -2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.563 -41.800 -4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.299 -41.579 -2.844 1.00 0.00 H new ATOM 174 N PHE A 12 -6.043 -37.560 -6.080 1.00 0.00 N ATOM 175 CA PHE A 12 -6.025 -36.909 -7.384 1.00 0.00 C ATOM 176 C PHE A 12 -5.816 -35.404 -7.237 1.00 0.00 C ATOM 177 O PHE A 12 -4.823 -34.854 -7.714 1.00 0.00 O ATOM 178 CB PHE A 12 -7.329 -37.182 -8.136 1.00 0.00 C ATOM 179 CG PHE A 12 -7.222 -36.974 -9.618 1.00 0.00 C ATOM 180 CD1 PHE A 12 -6.505 -37.860 -10.406 1.00 0.00 C ATOM 181 CD2 PHE A 12 -7.838 -35.892 -10.226 1.00 0.00 C ATOM 182 CE1 PHE A 12 -6.406 -37.673 -11.772 1.00 0.00 C ATOM 183 CE2 PHE A 12 -7.743 -35.699 -11.591 1.00 0.00 C ATOM 184 CZ PHE A 12 -7.024 -36.589 -12.364 1.00 0.00 C ATOM 0 H PHE A 12 -6.361 -36.965 -5.315 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.193 -37.321 -7.955 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.642 -38.208 -7.943 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.109 -36.531 -7.741 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.017 -38.707 -9.947 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.399 -35.191 -9.626 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.847 -38.373 -12.375 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.231 -34.853 -12.053 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.945 -36.438 -13.430 1.00 0.00 H new ATOM 194 N ALA A 13 -6.760 -34.743 -6.575 1.00 0.00 N ATOM 195 CA ALA A 13 -6.679 -33.303 -6.362 1.00 0.00 C ATOM 196 C ALA A 13 -7.721 -32.839 -5.351 1.00 0.00 C ATOM 197 O ALA A 13 -8.685 -33.549 -5.067 1.00 0.00 O ATOM 198 CB ALA A 13 -6.856 -32.566 -7.681 1.00 0.00 C ATOM 0 H ALA A 13 -7.590 -35.182 -6.177 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.693 -33.074 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.794 -31.492 -7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.072 -32.868 -8.375 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.830 -32.809 -8.106 1.00 0.00 H new ATOM 204 N ASP A 14 -7.519 -31.643 -4.808 1.00 0.00 N ATOM 205 CA ASP A 14 -8.441 -31.084 -3.826 1.00 0.00 C ATOM 206 C ASP A 14 -8.333 -29.561 -3.786 1.00 0.00 C ATOM 207 O ASP A 14 -7.248 -29.000 -3.943 1.00 0.00 O ATOM 208 CB ASP A 14 -8.159 -31.665 -2.441 1.00 0.00 C ATOM 209 CG ASP A 14 -9.256 -31.342 -1.444 1.00 0.00 C ATOM 210 OD1 ASP A 14 -9.292 -30.194 -0.953 1.00 0.00 O ATOM 211 OD2 ASP A 14 -10.076 -32.239 -1.155 1.00 0.00 O ATOM 0 H ASP A 14 -6.725 -31.042 -5.031 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.455 -31.351 -4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.050 -32.747 -2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.210 -31.275 -2.072 1.00 0.00 H new ATOM 216 N THR A 15 -9.466 -28.899 -3.575 1.00 0.00 N ATOM 217 CA THR A 15 -9.500 -27.443 -3.516 1.00 0.00 C ATOM 218 C THR A 15 -10.659 -26.955 -2.654 1.00 0.00 C ATOM 219 O THR A 15 -11.639 -27.671 -2.450 1.00 0.00 O ATOM 220 CB THR A 15 -9.624 -26.826 -4.921 1.00 0.00 C ATOM 221 OG1 THR A 15 -9.956 -27.841 -5.874 1.00 0.00 O ATOM 222 CG2 THR A 15 -8.329 -26.143 -5.329 1.00 0.00 C ATOM 0 H THR A 15 -10.372 -29.348 -3.442 1.00 0.00 H new ATOM 0 HA THR A 15 -8.559 -27.123 -3.069 1.00 0.00 H new ATOM 0 HB THR A 15 -10.417 -26.078 -4.897 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.035 -27.440 -6.765 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.442 -25.715 -6.325 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.096 -25.351 -4.618 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.520 -26.873 -5.337 1.00 0.00 H new ATOM 230 N GLY A 16 -10.542 -25.730 -2.151 1.00 0.00 N ATOM 231 CA GLY A 16 -11.587 -25.166 -1.318 1.00 0.00 C ATOM 232 C GLY A 16 -11.353 -23.702 -1.004 1.00 0.00 C ATOM 233 O GLY A 16 -10.289 -23.327 -0.513 1.00 0.00 O ATOM 0 H GLY A 16 -9.741 -25.118 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.548 -25.277 -1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.648 -25.729 -0.386 1.00 0.00 H new ATOM 237 N ASP A 17 -12.350 -22.871 -1.291 1.00 0.00 N ATOM 238 CA ASP A 17 -12.248 -21.438 -1.038 1.00 0.00 C ATOM 239 C ASP A 17 -12.120 -21.158 0.455 1.00 0.00 C ATOM 240 O ASP A 17 -12.686 -21.873 1.282 1.00 0.00 O ATOM 241 CB ASP A 17 -13.469 -20.711 -1.604 1.00 0.00 C ATOM 242 CG ASP A 17 -13.883 -21.245 -2.960 1.00 0.00 C ATOM 243 OD1 ASP A 17 -13.198 -20.933 -3.956 1.00 0.00 O ATOM 244 OD2 ASP A 17 -14.895 -21.975 -3.028 1.00 0.00 O ATOM 0 H ASP A 17 -13.237 -23.165 -1.699 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.352 -21.068 -1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.302 -20.810 -0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.248 -19.647 -1.688 1.00 0.00 H new ATOM 249 N ASP A 18 -11.373 -20.114 0.795 1.00 0.00 N ATOM 250 CA ASP A 18 -11.170 -19.738 2.190 1.00 0.00 C ATOM 251 C ASP A 18 -10.717 -18.286 2.301 1.00 0.00 C ATOM 252 O ASP A 18 -10.166 -17.723 1.355 1.00 0.00 O ATOM 253 CB ASP A 18 -10.139 -20.659 2.843 1.00 0.00 C ATOM 254 CG ASP A 18 -10.608 -21.199 4.178 1.00 0.00 C ATOM 255 OD1 ASP A 18 -10.990 -20.385 5.045 1.00 0.00 O ATOM 256 OD2 ASP A 18 -10.590 -22.435 4.359 1.00 0.00 O ATOM 0 H ASP A 18 -10.897 -19.512 0.123 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.121 -19.843 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.924 -21.492 2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.206 -20.113 2.983 1.00 0.00 H new ATOM 261 N GLU A 19 -10.956 -17.684 3.462 1.00 0.00 N ATOM 262 CA GLU A 19 -10.574 -16.297 3.695 1.00 0.00 C ATOM 263 C GLU A 19 -9.683 -16.177 4.930 1.00 0.00 C ATOM 264 O GLU A 19 -10.172 -16.022 6.050 1.00 0.00 O ATOM 265 CB GLU A 19 -11.818 -15.424 3.866 1.00 0.00 C ATOM 266 CG GLU A 19 -12.801 -15.534 2.711 1.00 0.00 C ATOM 267 CD GLU A 19 -14.163 -16.036 3.150 1.00 0.00 C ATOM 268 OE1 GLU A 19 -14.298 -17.254 3.390 1.00 0.00 O ATOM 269 OE2 GLU A 19 -15.093 -15.211 3.256 1.00 0.00 O ATOM 0 H GLU A 19 -11.412 -18.135 4.255 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.012 -15.952 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.324 -15.703 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.510 -14.384 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.912 -14.558 2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.395 -16.208 1.956 1.00 0.00 H new ATOM 276 N THR A 20 -8.374 -16.253 4.716 1.00 0.00 N ATOM 277 CA THR A 20 -7.415 -16.156 5.810 1.00 0.00 C ATOM 278 C THR A 20 -6.931 -14.722 5.991 1.00 0.00 C ATOM 279 O THR A 20 -6.548 -14.319 7.089 1.00 0.00 O ATOM 280 CB THR A 20 -6.198 -17.070 5.573 1.00 0.00 C ATOM 281 OG1 THR A 20 -5.260 -16.924 6.645 1.00 0.00 O ATOM 282 CG2 THR A 20 -5.522 -16.740 4.252 1.00 0.00 C ATOM 0 H THR A 20 -7.953 -16.381 3.796 1.00 0.00 H new ATOM 0 HA THR A 20 -7.932 -16.479 6.713 1.00 0.00 H new ATOM 0 HB THR A 20 -6.548 -18.102 5.535 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.490 -17.509 6.488 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.666 -17.399 4.107 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.230 -16.881 3.436 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.185 -15.704 4.265 1.00 0.00 H new ATOM 290 N ALA A 21 -6.951 -13.954 4.906 1.00 0.00 N ATOM 291 CA ALA A 21 -6.517 -12.564 4.945 1.00 0.00 C ATOM 292 C ALA A 21 -7.699 -11.625 5.168 1.00 0.00 C ATOM 293 O ALA A 21 -8.784 -11.836 4.626 1.00 0.00 O ATOM 294 CB ALA A 21 -5.788 -12.200 3.661 1.00 0.00 C ATOM 0 H ALA A 21 -7.264 -14.272 3.989 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.831 -12.449 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.470 -11.158 3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.914 -12.841 3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.456 -12.339 2.811 1.00 0.00 H new ATOM 300 N THR A 22 -7.482 -10.588 5.972 1.00 0.00 N ATOM 301 CA THR A 22 -8.530 -9.618 6.267 1.00 0.00 C ATOM 302 C THR A 22 -7.999 -8.485 7.137 1.00 0.00 C ATOM 303 O THR A 22 -8.405 -7.333 6.988 1.00 0.00 O ATOM 304 CB THR A 22 -9.724 -10.282 6.978 1.00 0.00 C ATOM 305 OG1 THR A 22 -10.721 -9.300 7.281 1.00 0.00 O ATOM 306 CG2 THR A 22 -9.277 -10.969 8.261 1.00 0.00 C ATOM 0 H THR A 22 -6.591 -10.399 6.430 1.00 0.00 H new ATOM 0 HA THR A 22 -8.866 -9.212 5.313 1.00 0.00 H new ATOM 0 HB THR A 22 -10.144 -11.033 6.309 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.478 -9.730 7.732 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.137 -11.431 8.745 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.539 -11.736 8.025 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.834 -10.233 8.932 1.00 0.00 H new ATOM 314 N SER A 23 -7.091 -8.819 8.048 1.00 0.00 N ATOM 315 CA SER A 23 -6.507 -7.829 8.945 1.00 0.00 C ATOM 316 C SER A 23 -5.783 -6.741 8.157 1.00 0.00 C ATOM 317 O SER A 23 -5.860 -6.694 6.930 1.00 0.00 O ATOM 318 CB SER A 23 -5.537 -8.501 9.920 1.00 0.00 C ATOM 319 OG SER A 23 -5.963 -9.814 10.239 1.00 0.00 O ATOM 0 H SER A 23 -6.744 -9.768 8.184 1.00 0.00 H new ATOM 0 HA SER A 23 -7.316 -7.366 9.510 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.540 -8.535 9.480 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.463 -7.908 10.831 1.00 0.00 H new ATOM 0 HG SER A 23 -5.551 -10.451 9.619 1.00 0.00 H new ATOM 325 N ASN A 24 -5.080 -5.870 8.872 1.00 0.00 N ATOM 326 CA ASN A 24 -4.343 -4.782 8.241 1.00 0.00 C ATOM 327 C ASN A 24 -3.443 -5.309 7.127 1.00 0.00 C ATOM 328 O ASN A 24 -2.663 -6.238 7.331 1.00 0.00 O ATOM 329 CB ASN A 24 -3.502 -4.036 9.280 1.00 0.00 C ATOM 330 CG ASN A 24 -4.274 -3.756 10.555 1.00 0.00 C ATOM 331 OD1 ASN A 24 -5.392 -3.243 10.517 1.00 0.00 O ATOM 332 ND2 ASN A 24 -3.679 -4.093 11.694 1.00 0.00 N ATOM 0 H ASN A 24 -5.005 -5.896 9.889 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.066 -4.092 7.806 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.616 -4.625 9.517 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.155 -3.095 8.854 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.150 -3.929 12.584 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.751 -4.516 11.679 1.00 0.00 H new ATOM 339 N TYR A 25 -3.558 -4.708 5.947 1.00 0.00 N ATOM 340 CA TYR A 25 -2.758 -5.117 4.799 1.00 0.00 C ATOM 341 C TYR A 25 -1.553 -4.198 4.619 1.00 0.00 C ATOM 342 O TYR A 25 -0.550 -4.582 4.019 1.00 0.00 O ATOM 343 CB TYR A 25 -3.611 -5.114 3.530 1.00 0.00 C ATOM 344 CG TYR A 25 -3.901 -6.496 2.992 1.00 0.00 C ATOM 345 CD1 TYR A 25 -5.008 -7.215 3.428 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.069 -7.086 2.048 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.276 -8.478 2.940 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.331 -8.348 1.553 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.436 -9.041 2.002 1.00 0.00 C ATOM 350 OH TYR A 25 -4.700 -10.300 1.513 1.00 0.00 O ATOM 0 H TYR A 25 -4.198 -3.936 5.761 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.396 -6.128 4.982 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.554 -4.609 3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.101 -4.534 2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.670 -6.778 4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.202 -6.548 1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.140 -9.023 3.291 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.674 -8.790 0.818 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.013 -10.548 0.860 1.00 0.00 H new ATOM 360 N ILE A 26 -1.661 -2.983 5.145 1.00 0.00 N ATOM 361 CA ILE A 26 -0.582 -2.009 5.045 1.00 0.00 C ATOM 362 C ILE A 26 -0.590 -1.054 6.234 1.00 0.00 C ATOM 363 O ILE A 26 -1.586 -0.381 6.495 1.00 0.00 O ATOM 364 CB ILE A 26 -0.680 -1.191 3.743 1.00 0.00 C ATOM 365 CG1 ILE A 26 -2.126 -0.757 3.498 1.00 0.00 C ATOM 366 CG2 ILE A 26 -0.157 -2.001 2.568 1.00 0.00 C ATOM 367 CD1 ILE A 26 -2.247 0.488 2.645 1.00 0.00 C ATOM 0 H ILE A 26 -2.485 -2.650 5.645 1.00 0.00 H new ATOM 0 HA ILE A 26 0.351 -2.572 5.041 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.064 -0.297 3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.665 -1.572 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.611 -0.579 4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.233 -1.409 1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.886 -2.265 2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.748 -2.910 2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.300 0.737 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.737 1.317 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.792 0.308 1.671 1.00 0.00 H new ATOM 379 N HIS A 27 0.529 -1.001 6.951 1.00 0.00 N ATOM 380 CA HIS A 27 0.652 -0.126 8.112 1.00 0.00 C ATOM 381 C HIS A 27 1.362 1.172 7.741 1.00 0.00 C ATOM 382 O HIS A 27 2.336 1.164 6.988 1.00 0.00 O ATOM 383 CB HIS A 27 1.413 -0.835 9.233 1.00 0.00 C ATOM 384 CG HIS A 27 0.534 -1.656 10.127 1.00 0.00 C ATOM 385 ND1 HIS A 27 0.547 -1.543 11.501 1.00 0.00 N ATOM 386 CD2 HIS A 27 -0.388 -2.603 9.835 1.00 0.00 C ATOM 387 CE1 HIS A 27 -0.329 -2.388 12.017 1.00 0.00 C ATOM 388 NE2 HIS A 27 -0.910 -3.042 11.028 1.00 0.00 N ATOM 0 H HIS A 27 1.362 -1.553 6.749 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.352 0.117 8.461 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.174 -1.480 8.793 1.00 0.00 H new ATOM 0 HB3 HIS A 27 1.935 -0.091 9.834 1.00 0.00 H new ATOM 0 HD1 HIS A 27 1.139 -0.907 12.035 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.662 -2.949 8.849 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.535 -2.521 13.069 1.00 0.00 H new ATOM 396 N ILE A 28 0.867 2.284 8.274 1.00 0.00 N ATOM 397 CA ILE A 28 1.455 3.588 7.999 1.00 0.00 C ATOM 398 C ILE A 28 1.640 4.389 9.284 1.00 0.00 C ATOM 399 O ILE A 28 0.674 4.879 9.866 1.00 0.00 O ATOM 400 CB ILE A 28 0.588 4.403 7.021 1.00 0.00 C ATOM 401 CG1 ILE A 28 -0.190 3.465 6.095 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.454 5.357 6.212 1.00 0.00 C ATOM 403 CD1 ILE A 28 0.695 2.663 5.166 1.00 0.00 C ATOM 0 H ILE A 28 0.061 2.307 8.898 1.00 0.00 H new ATOM 0 HA ILE A 28 2.428 3.405 7.543 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.126 4.993 7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.783 2.780 6.700 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.890 4.052 5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.826 5.925 5.526 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.968 6.042 6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.190 4.788 5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.077 2.020 4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.269 3.341 4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.377 2.049 5.754 1.00 0.00 H new ATOM 415 N ARG A 29 2.890 4.522 9.717 1.00 0.00 N ATOM 416 CA ARG A 29 3.203 5.264 10.932 1.00 0.00 C ATOM 417 C ARG A 29 3.974 6.539 10.607 1.00 0.00 C ATOM 418 O ARG A 29 5.202 6.533 10.532 1.00 0.00 O ATOM 419 CB ARG A 29 4.017 4.394 11.891 1.00 0.00 C ATOM 420 CG ARG A 29 3.279 4.045 13.173 1.00 0.00 C ATOM 421 CD ARG A 29 4.157 3.245 14.122 1.00 0.00 C ATOM 422 NE ARG A 29 3.369 2.483 15.087 1.00 0.00 N ATOM 423 CZ ARG A 29 2.758 1.340 14.799 1.00 0.00 C ATOM 424 NH1 ARG A 29 2.846 0.827 13.580 1.00 0.00 N ATOM 425 NH2 ARG A 29 2.060 0.706 15.732 1.00 0.00 N ATOM 0 H ARG A 29 3.702 4.125 9.244 1.00 0.00 H new ATOM 0 HA ARG A 29 2.264 5.540 11.411 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.299 3.472 11.382 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.941 4.914 12.144 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.950 4.960 13.665 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.383 3.472 12.934 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.784 2.563 13.548 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.826 3.922 14.654 1.00 0.00 H new ATOM 0 HE ARG A 29 3.283 2.849 16.035 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.384 1.310 12.861 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.376 -0.051 13.361 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.992 1.097 16.672 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.591 -0.172 15.510 1.00 0.00 H new ATOM 439 N ILE A 30 3.243 7.633 10.414 1.00 0.00 N ATOM 440 CA ILE A 30 3.858 8.915 10.096 1.00 0.00 C ATOM 441 C ILE A 30 4.132 9.722 11.361 1.00 0.00 C ATOM 442 O ILE A 30 3.368 9.662 12.324 1.00 0.00 O ATOM 443 CB ILE A 30 2.968 9.749 9.154 1.00 0.00 C ATOM 444 CG1 ILE A 30 2.630 8.946 7.895 1.00 0.00 C ATOM 445 CG2 ILE A 30 3.662 11.052 8.787 1.00 0.00 C ATOM 446 CD1 ILE A 30 1.148 8.707 7.712 1.00 0.00 C ATOM 0 H ILE A 30 2.225 7.656 10.472 1.00 0.00 H new ATOM 0 HA ILE A 30 4.801 8.696 9.594 1.00 0.00 H new ATOM 0 HB ILE A 30 2.039 9.988 9.671 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.015 9.474 7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.142 7.985 7.938 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.021 11.630 8.121 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.858 11.627 9.692 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.604 10.833 8.284 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.982 8.133 6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.761 8.152 8.566 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.632 9.664 7.637 1.00 0.00 H new ATOM 458 N GLN A 31 5.228 10.475 11.351 1.00 0.00 N ATOM 459 CA GLN A 31 5.603 11.293 12.497 1.00 0.00 C ATOM 460 C GLN A 31 4.855 12.622 12.485 1.00 0.00 C ATOM 461 O GLN A 31 4.149 12.940 11.527 1.00 0.00 O ATOM 462 CB GLN A 31 7.111 11.544 12.501 1.00 0.00 C ATOM 463 CG GLN A 31 7.582 12.435 11.363 1.00 0.00 C ATOM 464 CD GLN A 31 8.311 13.672 11.853 1.00 0.00 C ATOM 465 OE1 GLN A 31 8.038 14.786 11.406 1.00 0.00 O ATOM 466 NE2 GLN A 31 9.245 13.481 12.778 1.00 0.00 N ATOM 0 H GLN A 31 5.871 10.535 10.562 1.00 0.00 H new ATOM 0 HA GLN A 31 5.330 10.751 13.402 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.392 12.001 13.450 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.630 10.588 12.441 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.241 11.864 10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.723 12.738 10.764 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.439 12.540 13.120 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.768 14.275 13.146 1.00 0.00 H new ATOM 475 N GLN A 32 5.012 13.395 13.555 1.00 0.00 N ATOM 476 CA GLN A 32 4.351 14.689 13.666 1.00 0.00 C ATOM 477 C GLN A 32 5.016 15.721 12.760 1.00 0.00 C ATOM 478 O GLN A 32 6.217 15.970 12.864 1.00 0.00 O ATOM 479 CB GLN A 32 4.376 15.175 15.117 1.00 0.00 C ATOM 480 CG GLN A 32 5.778 15.322 15.685 1.00 0.00 C ATOM 481 CD GLN A 32 5.822 15.122 17.187 1.00 0.00 C ATOM 482 OE1 GLN A 32 4.787 14.965 17.835 1.00 0.00 O ATOM 483 NE2 GLN A 32 7.026 15.123 17.749 1.00 0.00 N ATOM 0 H GLN A 32 5.591 13.147 14.357 1.00 0.00 H new ATOM 0 HA GLN A 32 3.315 14.568 13.348 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.865 16.136 15.178 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.814 14.475 15.736 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.438 14.598 15.206 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.162 16.313 15.443 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.857 15.257 17.173 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.119 14.990 18.756 1.00 0.00 H new ATOM 492 N ARG A 33 4.227 16.318 11.874 1.00 0.00 N ATOM 493 CA ARG A 33 4.740 17.322 10.949 1.00 0.00 C ATOM 494 C ARG A 33 5.058 18.622 11.680 1.00 0.00 C ATOM 495 O ARG A 33 4.434 18.948 12.689 1.00 0.00 O ATOM 496 CB ARG A 33 3.724 17.586 9.835 1.00 0.00 C ATOM 497 CG ARG A 33 2.466 18.291 10.313 1.00 0.00 C ATOM 498 CD ARG A 33 1.530 18.604 9.158 1.00 0.00 C ATOM 499 NE ARG A 33 0.385 19.407 9.581 1.00 0.00 N ATOM 500 CZ ARG A 33 -0.513 19.907 8.740 1.00 0.00 C ATOM 501 NH1 ARG A 33 -0.400 19.690 7.438 1.00 0.00 N ATOM 502 NH2 ARG A 33 -1.527 20.628 9.203 1.00 0.00 N ATOM 0 H ARG A 33 3.230 16.124 11.777 1.00 0.00 H new ATOM 0 HA ARG A 33 5.660 16.938 10.509 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.196 18.189 9.060 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.446 16.637 9.376 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.951 17.664 11.041 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.737 19.215 10.824 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.079 19.137 8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.176 17.673 8.716 1.00 0.00 H new ATOM 0 HE ARG A 33 0.269 19.594 10.577 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.378 19.137 7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.091 20.075 6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.616 20.798 10.205 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.217 21.012 8.557 1.00 0.00 H new ATOM 516 N ASN A 34 6.036 19.361 11.164 1.00 0.00 N ATOM 517 CA ASN A 34 6.438 20.626 11.768 1.00 0.00 C ATOM 518 C ASN A 34 7.308 21.435 10.810 1.00 0.00 C ATOM 519 O ASN A 34 6.886 22.470 10.296 1.00 0.00 O ATOM 520 CB ASN A 34 7.199 20.372 13.072 1.00 0.00 C ATOM 521 CG ASN A 34 6.284 20.359 14.282 1.00 0.00 C ATOM 522 OD1 ASN A 34 5.195 20.935 14.257 1.00 0.00 O ATOM 523 ND2 ASN A 34 6.723 19.701 15.347 1.00 0.00 N ATOM 0 H ASN A 34 6.564 19.105 10.330 1.00 0.00 H new ATOM 0 HA ASN A 34 5.537 21.199 11.985 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.722 19.418 13.005 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.959 21.143 13.202 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.152 19.657 16.191 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.632 19.239 15.322 1.00 0.00 H new ATOM 530 N GLY A 35 8.524 20.954 10.572 1.00 0.00 N ATOM 531 CA GLY A 35 9.432 21.644 9.676 1.00 0.00 C ATOM 532 C GLY A 35 9.565 20.948 8.335 1.00 0.00 C ATOM 533 O GLY A 35 8.582 20.444 7.791 1.00 0.00 O ATOM 0 H GLY A 35 8.896 20.098 10.984 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.078 22.663 9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.414 21.716 10.143 1.00 0.00 H new ATOM 537 N ARG A 36 10.782 20.920 7.802 1.00 0.00 N ATOM 538 CA ARG A 36 11.038 20.282 6.517 1.00 0.00 C ATOM 539 C ARG A 36 11.330 18.795 6.694 1.00 0.00 C ATOM 540 O ARG A 36 10.704 17.948 6.058 1.00 0.00 O ATOM 541 CB ARG A 36 12.214 20.963 5.811 1.00 0.00 C ATOM 542 CG ARG A 36 11.871 22.327 5.236 1.00 0.00 C ATOM 543 CD ARG A 36 13.010 22.876 4.391 1.00 0.00 C ATOM 544 NE ARG A 36 12.594 23.136 3.015 1.00 0.00 N ATOM 545 CZ ARG A 36 13.446 23.356 2.019 1.00 0.00 C ATOM 546 NH1 ARG A 36 14.752 23.348 2.247 1.00 0.00 N ATOM 547 NH2 ARG A 36 12.991 23.585 0.794 1.00 0.00 N ATOM 0 H ARG A 36 11.606 21.332 8.240 1.00 0.00 H new ATOM 0 HA ARG A 36 10.143 20.387 5.904 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.037 21.072 6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.567 20.317 5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.969 22.251 4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.651 23.021 6.048 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.381 23.798 4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.837 22.166 4.392 1.00 0.00 H new ATOM 0 HE ARG A 36 11.595 23.149 2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.104 23.173 3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.404 23.517 1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.987 23.592 0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.646 23.754 0.030 1.00 0.00 H new ATOM 561 N LYS A 37 12.285 18.486 7.563 1.00 0.00 N ATOM 562 CA LYS A 37 12.659 17.102 7.828 1.00 0.00 C ATOM 563 C LYS A 37 11.452 16.287 8.279 1.00 0.00 C ATOM 564 O LYS A 37 10.955 16.457 9.393 1.00 0.00 O ATOM 565 CB LYS A 37 13.755 17.042 8.894 1.00 0.00 C ATOM 566 CG LYS A 37 15.108 16.611 8.356 1.00 0.00 C ATOM 567 CD LYS A 37 15.869 17.784 7.759 1.00 0.00 C ATOM 568 CE LYS A 37 17.326 17.780 8.193 1.00 0.00 C ATOM 569 NZ LYS A 37 17.649 18.944 9.065 1.00 0.00 N ATOM 0 H LYS A 37 12.815 19.175 8.096 1.00 0.00 H new ATOM 0 HA LYS A 37 13.039 16.673 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.854 18.024 9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.449 16.350 9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.695 16.166 9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.971 15.841 7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.812 17.741 6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.399 18.718 8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.543 16.855 8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.967 17.797 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.651 18.905 9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.466 19.827 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.055 18.914 9.918 1.00 0.00 H new ATOM 583 N THR A 38 10.983 15.399 7.406 1.00 0.00 N ATOM 584 CA THR A 38 9.834 14.558 7.715 1.00 0.00 C ATOM 585 C THR A 38 10.223 13.083 7.740 1.00 0.00 C ATOM 586 O THR A 38 11.181 12.672 7.085 1.00 0.00 O ATOM 587 CB THR A 38 8.699 14.759 6.693 1.00 0.00 C ATOM 588 OG1 THR A 38 7.641 13.828 6.946 1.00 0.00 O ATOM 589 CG2 THR A 38 9.212 14.578 5.273 1.00 0.00 C ATOM 0 H THR A 38 11.382 15.245 6.480 1.00 0.00 H new ATOM 0 HA THR A 38 9.481 14.856 8.702 1.00 0.00 H new ATOM 0 HB THR A 38 8.320 15.776 6.799 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.923 13.964 6.293 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.393 14.725 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.997 15.308 5.074 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.614 13.572 5.157 1.00 0.00 H new ATOM 597 N LEU A 39 9.475 12.292 8.500 1.00 0.00 N ATOM 598 CA LEU A 39 9.740 10.862 8.612 1.00 0.00 C ATOM 599 C LEU A 39 8.445 10.060 8.536 1.00 0.00 C ATOM 600 O LEU A 39 7.412 10.479 9.058 1.00 0.00 O ATOM 601 CB LEU A 39 10.466 10.558 9.923 1.00 0.00 C ATOM 602 CG LEU A 39 11.510 11.584 10.366 1.00 0.00 C ATOM 603 CD1 LEU A 39 11.987 11.285 11.778 1.00 0.00 C ATOM 604 CD2 LEU A 39 12.684 11.601 9.397 1.00 0.00 C ATOM 0 H LEU A 39 8.679 12.617 9.049 1.00 0.00 H new ATOM 0 HA LEU A 39 10.376 10.570 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.722 10.462 10.713 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.956 9.589 9.828 1.00 0.00 H new ATOM 0 HG LEU A 39 11.047 12.571 10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.729 12.026 12.076 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.141 11.324 12.464 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.434 10.291 11.808 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.418 12.337 9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.147 10.614 9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.329 11.864 8.400 1.00 0.00 H new ATOM 616 N THR A 40 8.508 8.903 7.885 1.00 0.00 N ATOM 617 CA THR A 40 7.342 8.042 7.742 1.00 0.00 C ATOM 618 C THR A 40 7.748 6.574 7.658 1.00 0.00 C ATOM 619 O THR A 40 8.680 6.218 6.937 1.00 0.00 O ATOM 620 CB THR A 40 6.523 8.407 6.489 1.00 0.00 C ATOM 621 OG1 THR A 40 6.062 9.759 6.584 1.00 0.00 O ATOM 622 CG2 THR A 40 5.336 7.470 6.327 1.00 0.00 C ATOM 0 H THR A 40 9.356 8.541 7.448 1.00 0.00 H new ATOM 0 HA THR A 40 6.726 8.197 8.628 1.00 0.00 H new ATOM 0 HB THR A 40 7.168 8.304 5.616 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.544 9.985 5.784 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.773 7.747 5.436 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.693 6.445 6.227 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.691 7.546 7.202 1.00 0.00 H new ATOM 630 N THR A 41 7.043 5.727 8.401 1.00 0.00 N ATOM 631 CA THR A 41 7.332 4.298 8.411 1.00 0.00 C ATOM 632 C THR A 41 6.184 3.501 7.800 1.00 0.00 C ATOM 633 O THR A 41 5.022 3.897 7.893 1.00 0.00 O ATOM 634 CB THR A 41 7.591 3.787 9.841 1.00 0.00 C ATOM 635 OG1 THR A 41 6.679 4.406 10.756 1.00 0.00 O ATOM 636 CG2 THR A 41 9.022 4.078 10.268 1.00 0.00 C ATOM 0 H THR A 41 6.268 6.005 9.003 1.00 0.00 H new ATOM 0 HA THR A 41 8.231 4.153 7.813 1.00 0.00 H new ATOM 0 HB THR A 41 7.438 2.708 9.851 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.016 4.925 10.256 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.182 3.708 11.281 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.713 3.581 9.587 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.198 5.153 10.242 1.00 0.00 H new ATOM 644 N VAL A 42 6.519 2.377 7.173 1.00 0.00 N ATOM 645 CA VAL A 42 5.516 1.522 6.549 1.00 0.00 C ATOM 646 C VAL A 42 5.843 0.049 6.753 1.00 0.00 C ATOM 647 O VAL A 42 7.013 -0.336 6.793 1.00 0.00 O ATOM 648 CB VAL A 42 5.399 1.808 5.038 1.00 0.00 C ATOM 649 CG1 VAL A 42 6.724 1.540 4.341 1.00 0.00 C ATOM 650 CG2 VAL A 42 4.285 0.974 4.425 1.00 0.00 C ATOM 0 H VAL A 42 7.477 2.038 7.084 1.00 0.00 H new ATOM 0 HA VAL A 42 4.564 1.747 7.030 1.00 0.00 H new ATOM 0 HB VAL A 42 5.151 2.861 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.623 1.747 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.495 2.184 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.005 0.496 4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.215 1.188 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.501 -0.085 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.339 1.220 4.907 1.00 0.00 H new ATOM 660 N GLN A 43 4.806 -0.771 6.880 1.00 0.00 N ATOM 661 CA GLN A 43 4.986 -2.205 7.081 1.00 0.00 C ATOM 662 C GLN A 43 3.995 -3.000 6.238 1.00 0.00 C ATOM 663 O GLN A 43 3.042 -2.444 5.694 1.00 0.00 O ATOM 664 CB GLN A 43 4.816 -2.560 8.559 1.00 0.00 C ATOM 665 CG GLN A 43 5.519 -3.846 8.961 1.00 0.00 C ATOM 666 CD GLN A 43 4.586 -5.041 8.977 1.00 0.00 C ATOM 667 OE1 GLN A 43 3.461 -4.957 9.471 1.00 0.00 O ATOM 668 NE2 GLN A 43 5.051 -6.161 8.437 1.00 0.00 N ATOM 0 H GLN A 43 3.832 -0.468 6.847 1.00 0.00 H new ATOM 0 HA GLN A 43 5.996 -2.467 6.766 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.200 -1.741 9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.753 -2.652 8.782 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.339 -4.039 8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.960 -3.721 9.950 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.990 -6.184 8.039 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.469 -6.999 8.420 1.00 0.00 H new ATOM 677 N GLY A 44 4.228 -4.305 6.133 1.00 0.00 N ATOM 678 CA GLY A 44 3.348 -5.155 5.354 1.00 0.00 C ATOM 679 C GLY A 44 3.957 -5.559 4.025 1.00 0.00 C ATOM 680 O GLY A 44 3.277 -6.126 3.169 1.00 0.00 O ATOM 0 H GLY A 44 5.011 -4.788 6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.111 -6.050 5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.408 -4.633 5.175 1.00 0.00 H new ATOM 684 N VAL A 45 5.241 -5.264 3.852 1.00 0.00 N ATOM 685 CA VAL A 45 5.942 -5.599 2.618 1.00 0.00 C ATOM 686 C VAL A 45 5.996 -7.108 2.409 1.00 0.00 C ATOM 687 O VAL A 45 6.317 -7.874 3.317 1.00 0.00 O ATOM 688 CB VAL A 45 7.377 -5.040 2.617 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.080 -5.372 1.311 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.363 -3.537 2.858 1.00 0.00 C ATOM 0 H VAL A 45 5.817 -4.794 4.550 1.00 0.00 H new ATOM 0 HA VAL A 45 5.382 -5.142 1.802 1.00 0.00 H new ATOM 0 HB VAL A 45 7.932 -5.511 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.092 -4.968 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.123 -6.454 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.530 -4.932 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.385 -3.158 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.792 -3.047 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.902 -3.328 3.823 1.00 0.00 H new ATOM 700 N PRO A 46 5.676 -7.548 1.183 1.00 0.00 N ATOM 701 CA PRO A 46 5.682 -8.968 0.825 1.00 0.00 C ATOM 702 C PRO A 46 7.092 -9.547 0.770 1.00 0.00 C ATOM 703 O PRO A 46 8.067 -8.857 1.063 1.00 0.00 O ATOM 704 CB PRO A 46 5.044 -8.987 -0.566 1.00 0.00 C ATOM 705 CG PRO A 46 5.307 -7.631 -1.122 1.00 0.00 C ATOM 706 CD PRO A 46 5.284 -6.690 0.051 1.00 0.00 C ATOM 0 HA PRO A 46 5.153 -9.574 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.483 -9.764 -1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.975 -9.191 -0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.271 -7.598 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.550 -7.357 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.979 -5.861 -0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.295 -6.256 0.199 1.00 0.00 H new ATOM 714 N GLU A 47 7.191 -10.819 0.394 1.00 0.00 N ATOM 715 CA GLU A 47 8.482 -11.489 0.302 1.00 0.00 C ATOM 716 C GLU A 47 9.186 -11.136 -1.004 1.00 0.00 C ATOM 717 O GLU A 47 10.415 -11.083 -1.063 1.00 0.00 O ATOM 718 CB GLU A 47 8.303 -13.005 0.406 1.00 0.00 C ATOM 719 CG GLU A 47 9.487 -13.715 1.042 1.00 0.00 C ATOM 720 CD GLU A 47 9.339 -13.867 2.543 1.00 0.00 C ATOM 721 OE1 GLU A 47 9.281 -12.831 3.240 1.00 0.00 O ATOM 722 OE2 GLU A 47 9.281 -15.018 3.020 1.00 0.00 O ATOM 0 H GLU A 47 6.393 -11.405 0.149 1.00 0.00 H new ATOM 0 HA GLU A 47 9.101 -11.146 1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.407 -13.218 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.139 -13.412 -0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.600 -14.701 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.399 -13.158 0.825 1.00 0.00 H new ATOM 729 N GLU A 48 8.400 -10.897 -2.048 1.00 0.00 N ATOM 730 CA GLU A 48 8.948 -10.550 -3.354 1.00 0.00 C ATOM 731 C GLU A 48 9.713 -9.231 -3.292 1.00 0.00 C ATOM 732 O GLU A 48 10.479 -8.901 -4.197 1.00 0.00 O ATOM 733 CB GLU A 48 7.829 -10.454 -4.393 1.00 0.00 C ATOM 734 CG GLU A 48 7.838 -11.587 -5.406 1.00 0.00 C ATOM 735 CD GLU A 48 6.651 -11.537 -6.348 1.00 0.00 C ATOM 736 OE1 GLU A 48 6.613 -10.633 -7.208 1.00 0.00 O ATOM 737 OE2 GLU A 48 5.760 -12.402 -6.223 1.00 0.00 O ATOM 0 H GLU A 48 7.381 -10.937 -2.015 1.00 0.00 H new ATOM 0 HA GLU A 48 9.641 -11.338 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.868 -10.445 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.916 -9.505 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.760 -11.543 -5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.839 -12.541 -4.879 1.00 0.00 H new ATOM 744 N TYR A 49 9.501 -8.483 -2.215 1.00 0.00 N ATOM 745 CA TYR A 49 10.167 -7.198 -2.034 1.00 0.00 C ATOM 746 C TYR A 49 10.897 -7.147 -0.694 1.00 0.00 C ATOM 747 O TYR A 49 10.277 -6.987 0.357 1.00 0.00 O ATOM 748 CB TYR A 49 9.153 -6.057 -2.120 1.00 0.00 C ATOM 749 CG TYR A 49 9.649 -4.863 -2.902 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.982 -4.470 -2.838 1.00 0.00 C ATOM 751 CD2 TYR A 49 8.788 -4.125 -3.704 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.440 -3.379 -3.551 1.00 0.00 C ATOM 753 CE2 TYR A 49 9.237 -3.035 -4.422 1.00 0.00 C ATOM 754 CZ TYR A 49 10.564 -2.665 -4.342 1.00 0.00 C ATOM 755 OH TYR A 49 11.016 -1.577 -5.054 1.00 0.00 O ATOM 0 H TYR A 49 8.874 -8.744 -1.454 1.00 0.00 H new ATOM 0 HA TYR A 49 10.901 -7.082 -2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.239 -6.429 -2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.893 -5.737 -1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.671 -5.027 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.748 -4.409 -3.767 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.478 -3.087 -3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.554 -2.475 -5.043 1.00 0.00 H new ATOM 0 HH TYR A 49 10.274 -1.186 -5.561 1.00 0.00 H new ATOM 765 N ASP A 50 12.217 -7.284 -0.742 1.00 0.00 N ATOM 766 CA ASP A 50 13.033 -7.251 0.466 1.00 0.00 C ATOM 767 C ASP A 50 13.441 -5.822 0.809 1.00 0.00 C ATOM 768 O ASP A 50 13.241 -4.901 0.015 1.00 0.00 O ATOM 769 CB ASP A 50 14.278 -8.122 0.290 1.00 0.00 C ATOM 770 CG ASP A 50 14.428 -9.149 1.396 1.00 0.00 C ATOM 771 OD1 ASP A 50 14.322 -8.766 2.580 1.00 0.00 O ATOM 772 OD2 ASP A 50 14.650 -10.335 1.076 1.00 0.00 O ATOM 0 H ASP A 50 12.745 -7.419 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 50 12.436 -7.646 1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.227 -8.633 -0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.163 -7.486 0.267 1.00 0.00 H new ATOM 777 N LEU A 51 14.012 -5.643 1.995 1.00 0.00 N ATOM 778 CA LEU A 51 14.446 -4.325 2.444 1.00 0.00 C ATOM 779 C LEU A 51 15.652 -3.847 1.640 1.00 0.00 C ATOM 780 O LEU A 51 15.911 -2.647 1.543 1.00 0.00 O ATOM 781 CB LEU A 51 14.794 -4.361 3.933 1.00 0.00 C ATOM 782 CG LEU A 51 13.664 -3.992 4.894 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.280 -2.528 4.730 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.458 -4.890 4.670 1.00 0.00 C ATOM 0 H LEU A 51 14.185 -6.394 2.663 1.00 0.00 H new ATOM 0 HA LEU A 51 13.625 -3.625 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.142 -5.364 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.629 -3.682 4.107 1.00 0.00 H new ATOM 0 HG LEU A 51 14.018 -4.142 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.474 -2.283 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.144 -1.899 4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.946 -2.352 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.664 -4.612 5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.103 -4.774 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.741 -5.929 4.840 1.00 0.00 H new ATOM 796 N LYS A 52 16.386 -4.792 1.062 1.00 0.00 N ATOM 797 CA LYS A 52 17.561 -4.470 0.263 1.00 0.00 C ATOM 798 C LYS A 52 17.159 -4.014 -1.135 1.00 0.00 C ATOM 799 O LYS A 52 17.806 -3.149 -1.726 1.00 0.00 O ATOM 800 CB LYS A 52 18.488 -5.683 0.170 1.00 0.00 C ATOM 801 CG LYS A 52 19.792 -5.398 -0.555 1.00 0.00 C ATOM 802 CD LYS A 52 20.637 -6.653 -0.699 1.00 0.00 C ATOM 803 CE LYS A 52 21.965 -6.357 -1.380 1.00 0.00 C ATOM 804 NZ LYS A 52 22.592 -7.589 -1.932 1.00 0.00 N ATOM 0 H LYS A 52 16.186 -5.790 1.133 1.00 0.00 H new ATOM 0 HA LYS A 52 18.091 -3.654 0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.711 -6.037 1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.966 -6.490 -0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.578 -4.987 -1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.354 -4.640 -0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.820 -7.084 0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.089 -7.397 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.808 -5.638 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.644 -5.893 -0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.494 -7.345 -2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.765 -8.266 -1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.955 -8.018 -2.633 1.00 0.00 H new ATOM 818 N ARG A 53 16.089 -4.602 -1.660 1.00 0.00 N ATOM 819 CA ARG A 53 15.601 -4.255 -2.990 1.00 0.00 C ATOM 820 C ARG A 53 14.907 -2.897 -2.978 1.00 0.00 C ATOM 821 O ARG A 53 14.978 -2.144 -3.948 1.00 0.00 O ATOM 822 CB ARG A 53 14.637 -5.329 -3.498 1.00 0.00 C ATOM 823 CG ARG A 53 14.452 -5.316 -5.006 1.00 0.00 C ATOM 824 CD ARG A 53 15.048 -6.557 -5.652 1.00 0.00 C ATOM 825 NE ARG A 53 14.343 -6.929 -6.876 1.00 0.00 N ATOM 826 CZ ARG A 53 14.856 -7.731 -7.804 1.00 0.00 C ATOM 827 NH1 ARG A 53 16.070 -8.242 -7.646 1.00 0.00 N ATOM 828 NH2 ARG A 53 14.153 -8.023 -8.890 1.00 0.00 N ATOM 0 H ARG A 53 15.543 -5.321 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 53 16.458 -4.199 -3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.005 -6.309 -3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.667 -5.190 -3.020 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.390 -5.256 -5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.922 -4.426 -5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.099 -6.378 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.011 -7.387 -4.946 1.00 0.00 H new ATOM 0 HE ARG A 53 13.407 -6.553 -7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.612 -8.020 -6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.461 -8.857 -8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.219 -7.632 -9.013 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.546 -8.638 -9.602 1.00 0.00 H new ATOM 842 N ILE A 54 14.234 -2.593 -1.872 1.00 0.00 N ATOM 843 CA ILE A 54 13.527 -1.324 -1.734 1.00 0.00 C ATOM 844 C ILE A 54 14.486 -0.198 -1.367 1.00 0.00 C ATOM 845 O ILE A 54 14.288 0.953 -1.756 1.00 0.00 O ATOM 846 CB ILE A 54 12.421 -1.411 -0.668 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.591 -0.125 -0.658 1.00 0.00 C ATOM 848 CG2 ILE A 54 13.026 -1.669 0.704 1.00 0.00 C ATOM 849 CD1 ILE A 54 10.098 -0.370 -0.666 1.00 0.00 C ATOM 0 H ILE A 54 14.163 -3.206 -1.060 1.00 0.00 H new ATOM 0 HA ILE A 54 13.072 -1.108 -2.701 1.00 0.00 H new ATOM 0 HB ILE A 54 11.763 -2.244 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.851 0.459 0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.857 0.477 -1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.231 -1.728 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.578 -2.609 0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.704 -0.855 0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.573 0.585 -0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.825 -0.927 -1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.819 -0.945 0.217 1.00 0.00 H new ATOM 861 N LEU A 55 15.527 -0.537 -0.613 1.00 0.00 N ATOM 862 CA LEU A 55 16.519 0.446 -0.194 1.00 0.00 C ATOM 863 C LEU A 55 17.454 0.803 -1.344 1.00 0.00 C ATOM 864 O LEU A 55 17.966 1.921 -1.421 1.00 0.00 O ATOM 865 CB LEU A 55 17.330 -0.091 0.989 1.00 0.00 C ATOM 866 CG LEU A 55 18.238 0.917 1.692 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.519 0.476 3.120 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.538 1.093 0.920 1.00 0.00 C ATOM 0 H LEU A 55 15.705 -1.485 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 55 15.991 1.349 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.636 -0.499 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.945 -0.919 0.636 1.00 0.00 H new ATOM 0 HG LEU A 55 17.726 1.878 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.167 1.206 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.580 0.402 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 55 19.011 -0.497 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.172 1.814 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 55 20.055 0.136 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.319 1.455 -0.084 1.00 0.00 H new ATOM 880 N LYS A 56 17.672 -0.154 -2.242 1.00 0.00 N ATOM 881 CA LYS A 56 18.542 0.060 -3.391 1.00 0.00 C ATOM 882 C LYS A 56 17.808 0.815 -4.497 1.00 0.00 C ATOM 883 O LYS A 56 18.383 1.679 -5.158 1.00 0.00 O ATOM 884 CB LYS A 56 19.051 -1.280 -3.926 1.00 0.00 C ATOM 885 CG LYS A 56 20.051 -1.142 -5.062 1.00 0.00 C ATOM 886 CD LYS A 56 21.386 -1.776 -4.710 1.00 0.00 C ATOM 887 CE LYS A 56 22.378 -1.659 -5.857 1.00 0.00 C ATOM 888 NZ LYS A 56 23.762 -1.405 -5.369 1.00 0.00 N ATOM 0 H LYS A 56 17.257 -1.085 -2.195 1.00 0.00 H new ATOM 0 HA LYS A 56 19.391 0.662 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.515 -1.835 -3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 56 18.202 -1.870 -4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.650 -1.612 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.198 -0.087 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.796 -1.294 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 56 21.237 -2.827 -4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.363 -2.576 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.072 -0.850 -6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.408 -1.332 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.782 -0.516 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.063 -2.189 -4.756 1.00 0.00 H new ATOM 902 N VAL A 57 16.536 0.482 -4.689 1.00 0.00 N ATOM 903 CA VAL A 57 15.724 1.130 -5.712 1.00 0.00 C ATOM 904 C VAL A 57 15.333 2.542 -5.290 1.00 0.00 C ATOM 905 O VAL A 57 15.305 3.462 -6.109 1.00 0.00 O ATOM 906 CB VAL A 57 14.446 0.323 -6.008 1.00 0.00 C ATOM 907 CG1 VAL A 57 13.531 1.098 -6.944 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.799 -1.035 -6.596 1.00 0.00 C ATOM 0 H VAL A 57 16.046 -0.232 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 57 16.332 1.179 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 57 13.913 0.160 -5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.633 0.513 -7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.252 2.044 -6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 57 14.051 1.293 -7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.885 -1.592 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.353 -0.897 -7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.412 -1.590 -5.886 1.00 0.00 H new ATOM 918 N LEU A 58 15.031 2.708 -4.007 1.00 0.00 N ATOM 919 CA LEU A 58 14.642 4.009 -3.474 1.00 0.00 C ATOM 920 C LEU A 58 15.841 4.949 -3.402 1.00 0.00 C ATOM 921 O LEU A 58 15.742 6.128 -3.745 1.00 0.00 O ATOM 922 CB LEU A 58 14.021 3.849 -2.086 1.00 0.00 C ATOM 923 CG LEU A 58 12.602 3.279 -2.046 1.00 0.00 C ATOM 924 CD1 LEU A 58 12.153 3.063 -0.609 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.636 4.202 -2.775 1.00 0.00 C ATOM 0 H LEU A 58 15.048 1.958 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 58 13.903 4.443 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.668 3.202 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 58 14.013 4.824 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 58 12.605 2.314 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.141 2.657 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.829 2.363 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.167 4.014 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.631 3.781 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.637 5.181 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.946 4.306 -3.815 1.00 0.00 H new ATOM 937 N LYS A 59 16.975 4.420 -2.955 1.00 0.00 N ATOM 938 CA LYS A 59 18.195 5.209 -2.841 1.00 0.00 C ATOM 939 C LYS A 59 18.737 5.577 -4.218 1.00 0.00 C ATOM 940 O LYS A 59 19.342 6.634 -4.398 1.00 0.00 O ATOM 941 CB LYS A 59 19.256 4.435 -2.055 1.00 0.00 C ATOM 942 CG LYS A 59 20.514 5.240 -1.775 1.00 0.00 C ATOM 943 CD LYS A 59 20.452 5.915 -0.416 1.00 0.00 C ATOM 944 CE LYS A 59 21.838 6.305 0.076 1.00 0.00 C ATOM 945 NZ LYS A 59 22.472 5.217 0.868 1.00 0.00 N ATOM 0 H LYS A 59 17.074 3.447 -2.666 1.00 0.00 H new ATOM 0 HA LYS A 59 17.954 6.128 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.827 4.106 -1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.526 3.537 -2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 59 21.384 4.584 -1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 59 20.645 5.994 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.823 6.803 -0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 59 19.985 5.243 0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 59 22.471 6.549 -0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 59 21.766 7.205 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 23.414 5.522 1.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 21.881 5.001 1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 22.564 4.366 0.277 1.00 0.00 H new ATOM 959 N LYS A 60 18.515 4.699 -5.191 1.00 0.00 N ATOM 960 CA LYS A 60 18.976 4.932 -6.554 1.00 0.00 C ATOM 961 C LYS A 60 17.972 5.777 -7.332 1.00 0.00 C ATOM 962 O LYS A 60 18.343 6.508 -8.251 1.00 0.00 O ATOM 963 CB LYS A 60 19.202 3.600 -7.272 1.00 0.00 C ATOM 964 CG LYS A 60 19.980 3.733 -8.571 1.00 0.00 C ATOM 965 CD LYS A 60 20.413 2.377 -9.102 1.00 0.00 C ATOM 966 CE LYS A 60 20.397 2.344 -10.622 1.00 0.00 C ATOM 967 NZ LYS A 60 21.355 1.342 -11.166 1.00 0.00 N ATOM 0 H LYS A 60 18.018 3.818 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 60 19.919 5.476 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.737 2.924 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 60 18.236 3.142 -7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 60 19.363 4.237 -9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 60 20.858 4.358 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 60 21.416 2.147 -8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 60 19.750 1.604 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 60 19.391 2.110 -10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 60 20.646 3.332 -11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 21.314 1.351 -12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 22.319 1.579 -10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 21.102 0.395 -10.817 1.00 0.00 H new ATOM 981 N ASP A 61 16.703 5.673 -6.956 1.00 0.00 N ATOM 982 CA ASP A 61 15.646 6.432 -7.617 1.00 0.00 C ATOM 983 C ASP A 61 15.772 7.920 -7.312 1.00 0.00 C ATOM 984 O ASP A 61 16.045 8.726 -8.203 1.00 0.00 O ATOM 985 CB ASP A 61 14.273 5.922 -7.176 1.00 0.00 C ATOM 986 CG ASP A 61 13.150 6.851 -7.595 1.00 0.00 C ATOM 987 OD1 ASP A 61 13.193 7.359 -8.736 1.00 0.00 O ATOM 988 OD2 ASP A 61 12.227 7.069 -6.784 1.00 0.00 O ATOM 0 H ASP A 61 16.380 5.072 -6.198 1.00 0.00 H new ATOM 0 HA ASP A 61 15.750 6.292 -8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.101 4.934 -7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.262 5.808 -6.092 1.00 0.00 H new ATOM 993 N PHE A 62 15.573 8.280 -6.049 1.00 0.00 N ATOM 994 CA PHE A 62 15.662 9.673 -5.627 1.00 0.00 C ATOM 995 C PHE A 62 16.345 9.786 -4.267 1.00 0.00 C ATOM 996 O PHE A 62 16.031 10.673 -3.474 1.00 0.00 O ATOM 997 CB PHE A 62 14.268 10.300 -5.564 1.00 0.00 C ATOM 998 CG PHE A 62 13.668 10.567 -6.914 1.00 0.00 C ATOM 999 CD1 PHE A 62 14.342 11.340 -7.845 1.00 0.00 C ATOM 1000 CD2 PHE A 62 12.431 10.045 -7.252 1.00 0.00 C ATOM 1001 CE1 PHE A 62 13.793 11.587 -9.089 1.00 0.00 C ATOM 1002 CE2 PHE A 62 11.877 10.289 -8.495 1.00 0.00 C ATOM 1003 CZ PHE A 62 12.558 11.062 -9.414 1.00 0.00 C ATOM 0 H PHE A 62 15.349 7.626 -5.299 1.00 0.00 H new ATOM 0 HA PHE A 62 16.261 10.211 -6.361 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.606 9.638 -5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.325 11.236 -5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.308 11.754 -7.596 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.893 9.441 -6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.330 12.190 -9.806 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.912 9.875 -8.747 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.126 11.256 -10.385 1.00 0.00 H new ATOM 1013 N ALA A 63 17.283 8.881 -4.006 1.00 0.00 N ATOM 1014 CA ALA A 63 18.013 8.880 -2.743 1.00 0.00 C ATOM 1015 C ALA A 63 17.056 8.929 -1.558 1.00 0.00 C ATOM 1016 O ALA A 63 17.039 9.902 -0.803 1.00 0.00 O ATOM 1017 CB ALA A 63 18.981 10.053 -2.693 1.00 0.00 C ATOM 0 H ALA A 63 17.555 8.140 -4.651 1.00 0.00 H new ATOM 0 HA ALA A 63 18.581 7.952 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 63 19.519 10.040 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.692 9.973 -3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.426 10.987 -2.783 1.00 0.00 H new ATOM 1023 N CYS A 64 16.263 7.876 -1.399 1.00 0.00 N ATOM 1024 CA CYS A 64 15.303 7.800 -0.303 1.00 0.00 C ATOM 1025 C CYS A 64 15.817 6.892 0.810 1.00 0.00 C ATOM 1026 O CYS A 64 15.631 5.677 0.769 1.00 0.00 O ATOM 1027 CB CYS A 64 13.955 7.287 -0.813 1.00 0.00 C ATOM 1028 SG CYS A 64 12.689 8.569 -0.970 1.00 0.00 S ATOM 0 H CYS A 64 16.265 7.063 -2.015 1.00 0.00 H new ATOM 0 HA CYS A 64 15.173 8.803 0.103 1.00 0.00 H new ATOM 0 HB2 CYS A 64 14.102 6.815 -1.785 1.00 0.00 H new ATOM 0 HB3 CYS A 64 13.592 6.514 -0.135 1.00 0.00 H new ATOM 0 HG CYS A 64 11.587 8.039 -1.410 1.00 0.00 H new ATOM 1034 N ASN A 65 16.466 7.491 1.802 1.00 0.00 N ATOM 1035 CA ASN A 65 17.010 6.737 2.926 1.00 0.00 C ATOM 1036 C ASN A 65 15.954 5.812 3.522 1.00 0.00 C ATOM 1037 O ASN A 65 15.054 6.256 4.234 1.00 0.00 O ATOM 1038 CB ASN A 65 17.536 7.690 4.001 1.00 0.00 C ATOM 1039 CG ASN A 65 19.048 7.777 4.008 1.00 0.00 C ATOM 1040 OD1 ASN A 65 19.673 8.018 2.974 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.647 7.581 5.177 1.00 0.00 N ATOM 0 H ASN A 65 16.628 8.497 1.851 1.00 0.00 H new ATOM 0 HA ASN A 65 17.835 6.127 2.557 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.119 8.684 3.837 1.00 0.00 H new ATOM 0 HB3 ASN A 65 17.190 7.356 4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.664 7.627 5.243 1.00 0.00 H new ATOM 0 HD22 ASN A 65 19.090 7.384 6.009 1.00 0.00 H new ATOM 1048 N GLY A 66 16.070 4.521 3.224 1.00 0.00 N ATOM 1049 CA GLY A 66 15.119 3.553 3.739 1.00 0.00 C ATOM 1050 C GLY A 66 15.704 2.698 4.845 1.00 0.00 C ATOM 1051 O GLY A 66 16.323 1.669 4.581 1.00 0.00 O ATOM 0 H GLY A 66 16.805 4.129 2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.240 4.076 4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.783 2.910 2.926 1.00 0.00 H new ATOM 1055 N ASN A 67 15.507 3.125 6.088 1.00 0.00 N ATOM 1056 CA ASN A 67 16.022 2.392 7.239 1.00 0.00 C ATOM 1057 C ASN A 67 15.120 1.212 7.581 1.00 0.00 C ATOM 1058 O ASN A 67 14.038 1.060 7.013 1.00 0.00 O ATOM 1059 CB ASN A 67 16.145 3.321 8.449 1.00 0.00 C ATOM 1060 CG ASN A 67 16.553 4.730 8.058 1.00 0.00 C ATOM 1061 OD1 ASN A 67 15.705 5.588 7.813 1.00 0.00 O ATOM 1062 ND2 ASN A 67 17.857 4.972 7.999 1.00 0.00 N ATOM 0 H ASN A 67 14.995 3.975 6.324 1.00 0.00 H new ATOM 0 HA ASN A 67 17.009 2.009 6.981 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.191 3.355 8.976 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.879 2.913 9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.192 5.900 7.742 1.00 0.00 H new ATOM 0 HD22 ASN A 67 18.524 4.230 8.211 1.00 0.00 H new ATOM 1069 N ILE A 68 15.569 0.378 8.512 1.00 0.00 N ATOM 1070 CA ILE A 68 14.802 -0.788 8.930 1.00 0.00 C ATOM 1071 C ILE A 68 14.763 -0.905 10.450 1.00 0.00 C ATOM 1072 O ILE A 68 15.794 -0.811 11.117 1.00 0.00 O ATOM 1073 CB ILE A 68 15.385 -2.086 8.341 1.00 0.00 C ATOM 1074 CG1 ILE A 68 15.614 -1.931 6.836 1.00 0.00 C ATOM 1075 CG2 ILE A 68 14.457 -3.258 8.624 1.00 0.00 C ATOM 1076 CD1 ILE A 68 16.986 -1.398 6.487 1.00 0.00 C ATOM 0 H ILE A 68 16.462 0.489 8.992 1.00 0.00 H new ATOM 0 HA ILE A 68 13.789 -0.651 8.553 1.00 0.00 H new ATOM 0 HB ILE A 68 16.346 -2.285 8.816 1.00 0.00 H new ATOM 0 HG12 ILE A 68 15.475 -2.899 6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 68 14.858 -1.260 6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.882 -4.169 8.202 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.340 -3.378 9.701 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.483 -3.069 8.172 1.00 0.00 H new ATOM 0 HD11 ILE A 68 17.079 -1.314 5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 68 17.121 -0.416 6.940 1.00 0.00 H new ATOM 0 HD13 ILE A 68 17.748 -2.080 6.864 1.00 0.00 H new ATOM 1088 N VAL A 69 13.568 -1.112 10.992 1.00 0.00 N ATOM 1089 CA VAL A 69 13.394 -1.245 12.433 1.00 0.00 C ATOM 1090 C VAL A 69 12.643 -2.526 12.781 1.00 0.00 C ATOM 1091 O VAL A 69 12.080 -3.185 11.907 1.00 0.00 O ATOM 1092 CB VAL A 69 12.633 -0.041 13.021 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.069 0.217 14.454 1.00 0.00 C ATOM 1094 CG2 VAL A 69 12.844 1.194 12.159 1.00 0.00 C ATOM 0 H VAL A 69 12.705 -1.191 10.454 1.00 0.00 H new ATOM 0 HA VAL A 69 14.392 -1.283 12.869 1.00 0.00 H new ATOM 0 HB VAL A 69 11.568 -0.273 13.027 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.521 1.071 14.853 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.861 -0.664 15.062 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.138 0.429 14.476 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.300 2.035 12.589 1.00 0.00 H new ATOM 0 HG22 VAL A 69 13.907 1.432 12.119 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.477 1.001 11.151 1.00 0.00 H new ATOM 1104 N LYS A 70 12.637 -2.872 14.064 1.00 0.00 N ATOM 1105 CA LYS A 70 11.953 -4.073 14.529 1.00 0.00 C ATOM 1106 C LYS A 70 11.130 -3.780 15.778 1.00 0.00 C ATOM 1107 O LYS A 70 11.678 -3.534 16.852 1.00 0.00 O ATOM 1108 CB LYS A 70 12.968 -5.181 14.822 1.00 0.00 C ATOM 1109 CG LYS A 70 12.371 -6.378 15.543 1.00 0.00 C ATOM 1110 CD LYS A 70 12.667 -7.675 14.809 1.00 0.00 C ATOM 1111 CE LYS A 70 13.945 -8.323 15.319 1.00 0.00 C ATOM 1112 NZ LYS A 70 13.725 -9.741 15.718 1.00 0.00 N ATOM 0 H LYS A 70 13.098 -2.338 14.800 1.00 0.00 H new ATOM 0 HA LYS A 70 11.278 -4.406 13.740 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.409 -5.516 13.883 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.777 -4.770 15.426 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.772 -6.432 16.555 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.293 -6.248 15.634 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.832 -8.365 14.935 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.759 -7.477 13.741 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.710 -8.278 14.544 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.323 -7.760 16.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.619 -10.148 16.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.014 -9.782 16.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.389 -10.284 14.897 1.00 0.00 H new ATOM 1126 N ASP A 71 9.809 -3.810 15.631 1.00 0.00 N ATOM 1127 CA ASP A 71 8.909 -3.551 16.748 1.00 0.00 C ATOM 1128 C ASP A 71 8.452 -4.855 17.392 1.00 0.00 C ATOM 1129 O ASP A 71 8.499 -5.926 16.785 1.00 0.00 O ATOM 1130 CB ASP A 71 7.695 -2.748 16.277 1.00 0.00 C ATOM 1131 CG ASP A 71 7.713 -1.319 16.782 1.00 0.00 C ATOM 1132 OD1 ASP A 71 8.819 -0.774 16.983 1.00 0.00 O ATOM 1133 OD2 ASP A 71 6.622 -0.744 16.978 1.00 0.00 O ATOM 0 H ASP A 71 9.339 -4.011 14.749 1.00 0.00 H new ATOM 0 HA ASP A 71 9.453 -2.970 17.493 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.666 -2.745 15.187 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.784 -3.239 16.618 1.00 0.00 H new ATOM 1138 N PRO A 72 8.000 -4.767 18.653 1.00 0.00 N ATOM 1139 CA PRO A 72 7.527 -5.932 19.408 1.00 0.00 C ATOM 1140 C PRO A 72 6.209 -6.475 18.869 1.00 0.00 C ATOM 1141 O PRO A 72 5.741 -7.529 19.297 1.00 0.00 O ATOM 1142 CB PRO A 72 7.341 -5.384 20.824 1.00 0.00 C ATOM 1143 CG PRO A 72 7.105 -3.924 20.638 1.00 0.00 C ATOM 1144 CD PRO A 72 7.916 -3.523 19.438 1.00 0.00 C ATOM 0 HA PRO A 72 8.224 -6.768 19.348 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.498 -5.860 21.325 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.223 -5.567 21.438 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.047 -3.717 20.481 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.412 -3.364 21.521 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.433 -2.724 18.875 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.903 -3.160 19.723 1.00 0.00 H new ATOM 1152 N GLU A 73 5.615 -5.747 17.928 1.00 0.00 N ATOM 1153 CA GLU A 73 4.349 -6.157 17.332 1.00 0.00 C ATOM 1154 C GLU A 73 4.582 -6.965 16.059 1.00 0.00 C ATOM 1155 O GLU A 73 3.994 -8.028 15.868 1.00 0.00 O ATOM 1156 CB GLU A 73 3.485 -4.933 17.021 1.00 0.00 C ATOM 1157 CG GLU A 73 2.028 -5.268 16.751 1.00 0.00 C ATOM 1158 CD GLU A 73 1.074 -4.446 17.595 1.00 0.00 C ATOM 1159 OE1 GLU A 73 0.914 -4.767 18.791 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.487 -3.482 17.060 1.00 0.00 O ATOM 0 H GLU A 73 5.990 -4.872 17.563 1.00 0.00 H new ATOM 0 HA GLU A 73 3.827 -6.788 18.051 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.540 -4.238 17.859 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.898 -4.419 16.153 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.810 -5.101 15.696 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.860 -6.327 16.947 1.00 0.00 H new ATOM 1167 N MET A 74 5.446 -6.450 15.190 1.00 0.00 N ATOM 1168 CA MET A 74 5.760 -7.124 13.934 1.00 0.00 C ATOM 1169 C MET A 74 7.254 -7.415 13.831 1.00 0.00 C ATOM 1170 O MET A 74 7.677 -8.569 13.888 1.00 0.00 O ATOM 1171 CB MET A 74 5.311 -6.269 12.747 1.00 0.00 C ATOM 1172 CG MET A 74 4.375 -6.995 11.795 1.00 0.00 C ATOM 1173 SD MET A 74 2.651 -6.520 12.021 1.00 0.00 S ATOM 1174 CE MET A 74 1.831 -8.097 11.793 1.00 0.00 C ATOM 0 H MET A 74 5.941 -5.569 15.332 1.00 0.00 H new ATOM 0 HA MET A 74 5.222 -8.072 13.914 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.813 -5.375 13.122 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.191 -5.937 12.196 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.674 -6.786 10.768 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.474 -8.070 11.943 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.754 -7.967 11.903 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.050 -8.480 10.796 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.189 -8.805 12.541 1.00 0.00 H new ATOM 1184 N GLY A 75 8.049 -6.359 13.680 1.00 0.00 N ATOM 1185 CA GLY A 75 9.486 -6.524 13.572 1.00 0.00 C ATOM 1186 C GLY A 75 9.986 -6.336 12.154 1.00 0.00 C ATOM 1187 O GLY A 75 10.940 -6.990 11.734 1.00 0.00 O ATOM 0 H GLY A 75 7.723 -5.394 13.631 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.981 -5.807 14.227 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.762 -7.519 13.922 1.00 0.00 H new ATOM 1191 N GLU A 76 9.339 -5.442 11.412 1.00 0.00 N ATOM 1192 CA GLU A 76 9.723 -5.172 10.032 1.00 0.00 C ATOM 1193 C GLU A 76 9.294 -3.769 9.612 1.00 0.00 C ATOM 1194 O GLU A 76 8.837 -3.559 8.488 1.00 0.00 O ATOM 1195 CB GLU A 76 9.100 -6.209 9.095 1.00 0.00 C ATOM 1196 CG GLU A 76 10.077 -6.778 8.080 1.00 0.00 C ATOM 1197 CD GLU A 76 9.416 -7.115 6.758 1.00 0.00 C ATOM 1198 OE1 GLU A 76 9.171 -6.184 5.962 1.00 0.00 O ATOM 1199 OE2 GLU A 76 9.142 -8.309 6.520 1.00 0.00 O ATOM 0 H GLU A 76 8.546 -4.893 11.744 1.00 0.00 H new ATOM 0 HA GLU A 76 10.809 -5.236 9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.692 -7.025 9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.264 -5.752 8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.877 -6.058 7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.539 -7.676 8.490 1.00 0.00 H new ATOM 1206 N ILE A 77 9.446 -2.813 10.523 1.00 0.00 N ATOM 1207 CA ILE A 77 9.075 -1.430 10.247 1.00 0.00 C ATOM 1208 C ILE A 77 10.105 -0.753 9.350 1.00 0.00 C ATOM 1209 O ILE A 77 11.180 -0.364 9.807 1.00 0.00 O ATOM 1210 CB ILE A 77 8.929 -0.617 11.547 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.869 -1.247 12.452 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.572 0.827 11.229 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.717 -0.547 13.784 1.00 0.00 C ATOM 0 H ILE A 77 9.823 -2.971 11.458 1.00 0.00 H new ATOM 0 HA ILE A 77 8.113 -1.457 9.735 1.00 0.00 H new ATOM 0 HB ILE A 77 9.882 -0.628 12.075 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.910 -1.238 11.935 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.127 -2.291 12.627 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.472 1.390 12.157 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.359 1.270 10.619 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.629 0.857 10.683 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.949 -1.048 14.373 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.664 -0.579 14.322 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.428 0.491 13.619 1.00 0.00 H new ATOM 1225 N ILE A 78 9.770 -0.618 8.072 1.00 0.00 N ATOM 1226 CA ILE A 78 10.665 0.015 7.110 1.00 0.00 C ATOM 1227 C ILE A 78 10.583 1.535 7.201 1.00 0.00 C ATOM 1228 O ILE A 78 9.625 2.143 6.724 1.00 0.00 O ATOM 1229 CB ILE A 78 10.343 -0.421 5.669 1.00 0.00 C ATOM 1230 CG1 ILE A 78 10.212 -1.943 5.591 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.420 0.072 4.714 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.777 -2.424 5.568 1.00 0.00 C ATOM 0 H ILE A 78 8.885 -0.938 7.678 1.00 0.00 H new ATOM 0 HA ILE A 78 11.676 -0.307 7.360 1.00 0.00 H new ATOM 0 HB ILE A 78 9.392 0.023 5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.721 -2.298 4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.723 -2.388 6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.179 -0.244 3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.471 1.160 4.753 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.383 -0.347 5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.759 -3.512 5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.270 -2.099 6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.268 -2.008 4.699 1.00 0.00 H new ATOM 1244 N GLN A 79 11.594 2.142 7.814 1.00 0.00 N ATOM 1245 CA GLN A 79 11.637 3.592 7.965 1.00 0.00 C ATOM 1246 C GLN A 79 12.019 4.265 6.651 1.00 0.00 C ATOM 1247 O GLN A 79 12.821 3.736 5.879 1.00 0.00 O ATOM 1248 CB GLN A 79 12.629 3.982 9.060 1.00 0.00 C ATOM 1249 CG GLN A 79 12.077 4.999 10.047 1.00 0.00 C ATOM 1250 CD GLN A 79 13.144 5.939 10.574 1.00 0.00 C ATOM 1251 OE1 GLN A 79 13.158 7.126 10.246 1.00 0.00 O ATOM 1252 NE2 GLN A 79 14.045 5.413 11.395 1.00 0.00 N ATOM 0 H GLN A 79 12.394 1.652 8.214 1.00 0.00 H new ATOM 0 HA GLN A 79 10.641 3.933 8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.928 3.086 9.604 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.528 4.389 8.596 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.292 5.581 9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.615 4.474 10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.996 4.424 11.640 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.787 5.998 11.781 1.00 0.00 H new ATOM 1261 N LEU A 80 11.440 5.434 6.402 1.00 0.00 N ATOM 1262 CA LEU A 80 11.720 6.180 5.180 1.00 0.00 C ATOM 1263 C LEU A 80 11.851 7.673 5.470 1.00 0.00 C ATOM 1264 O LEU A 80 10.913 8.304 5.956 1.00 0.00 O ATOM 1265 CB LEU A 80 10.614 5.945 4.150 1.00 0.00 C ATOM 1266 CG LEU A 80 11.058 5.352 2.811 1.00 0.00 C ATOM 1267 CD1 LEU A 80 10.087 4.272 2.360 1.00 0.00 C ATOM 1268 CD2 LEU A 80 11.174 6.443 1.757 1.00 0.00 C ATOM 0 H LEU A 80 10.774 5.886 7.029 1.00 0.00 H new ATOM 0 HA LEU A 80 12.667 5.823 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.870 5.281 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.117 6.896 3.957 1.00 0.00 H new ATOM 0 HG LEU A 80 12.040 4.898 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.418 3.861 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.054 3.478 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.092 4.702 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.491 6.003 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.206 6.927 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.908 7.182 2.077 1.00 0.00 H new ATOM 1280 N GLN A 81 13.020 8.229 5.169 1.00 0.00 N ATOM 1281 CA GLN A 81 13.271 9.648 5.397 1.00 0.00 C ATOM 1282 C GLN A 81 13.149 10.438 4.098 1.00 0.00 C ATOM 1283 O GLN A 81 13.963 10.285 3.188 1.00 0.00 O ATOM 1284 CB GLN A 81 14.661 9.849 6.001 1.00 0.00 C ATOM 1285 CG GLN A 81 14.737 9.505 7.481 1.00 0.00 C ATOM 1286 CD GLN A 81 15.770 10.332 8.221 1.00 0.00 C ATOM 1287 OE1 GLN A 81 16.735 9.797 8.768 1.00 0.00 O ATOM 1288 NE2 GLN A 81 15.574 11.645 8.240 1.00 0.00 N ATOM 0 H GLN A 81 13.807 7.720 4.767 1.00 0.00 H new ATOM 0 HA GLN A 81 12.521 10.017 6.097 1.00 0.00 H new ATOM 0 HB2 GLN A 81 15.377 9.234 5.456 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.962 10.887 5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.759 9.660 7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.976 8.447 7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.760 12.046 7.773 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.237 12.253 8.721 1.00 0.00 H new ATOM 1297 N GLY A 82 12.126 11.284 4.019 1.00 0.00 N ATOM 1298 CA GLY A 82 11.917 12.085 2.829 1.00 0.00 C ATOM 1299 C GLY A 82 10.496 12.606 2.722 1.00 0.00 C ATOM 1300 O GLY A 82 9.609 12.156 3.446 1.00 0.00 O ATOM 0 H GLY A 82 11.439 11.428 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.610 12.927 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.149 11.488 1.947 1.00 0.00 H new ATOM 1304 N ASP A 83 10.282 13.554 1.817 1.00 0.00 N ATOM 1305 CA ASP A 83 8.961 14.136 1.618 1.00 0.00 C ATOM 1306 C ASP A 83 8.233 13.452 0.464 1.00 0.00 C ATOM 1307 O ASP A 83 7.417 14.069 -0.220 1.00 0.00 O ATOM 1308 CB ASP A 83 9.075 15.637 1.348 1.00 0.00 C ATOM 1309 CG ASP A 83 8.126 16.454 2.202 1.00 0.00 C ATOM 1310 OD1 ASP A 83 6.900 16.247 2.088 1.00 0.00 O ATOM 1311 OD2 ASP A 83 8.608 17.297 2.983 1.00 0.00 O ATOM 0 H ASP A 83 11.007 13.936 1.209 1.00 0.00 H new ATOM 0 HA ASP A 83 8.384 13.983 2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.099 15.960 1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.869 15.830 0.295 1.00 0.00 H new ATOM 1316 N GLN A 84 8.537 12.175 0.253 1.00 0.00 N ATOM 1317 CA GLN A 84 7.914 11.409 -0.819 1.00 0.00 C ATOM 1318 C GLN A 84 7.081 10.263 -0.257 1.00 0.00 C ATOM 1319 O GLN A 84 7.145 9.136 -0.750 1.00 0.00 O ATOM 1320 CB GLN A 84 8.980 10.863 -1.770 1.00 0.00 C ATOM 1321 CG GLN A 84 9.571 11.917 -2.693 1.00 0.00 C ATOM 1322 CD GLN A 84 11.085 11.955 -2.642 1.00 0.00 C ATOM 1323 OE1 GLN A 84 11.759 11.123 -3.249 1.00 0.00 O ATOM 1324 NE2 GLN A 84 11.629 12.925 -1.915 1.00 0.00 N ATOM 0 H GLN A 84 9.211 11.650 0.810 1.00 0.00 H new ATOM 0 HA GLN A 84 7.253 12.077 -1.371 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.782 10.415 -1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.543 10.067 -2.374 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.251 11.719 -3.716 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.177 12.896 -2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.032 13.593 -1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.644 13.001 -1.844 1.00 0.00 H new ATOM 1333 N ARG A 85 6.301 10.556 0.778 1.00 0.00 N ATOM 1334 CA ARG A 85 5.457 9.549 1.408 1.00 0.00 C ATOM 1335 C ARG A 85 4.381 9.059 0.443 1.00 0.00 C ATOM 1336 O ARG A 85 4.209 7.856 0.250 1.00 0.00 O ATOM 1337 CB ARG A 85 4.805 10.117 2.671 1.00 0.00 C ATOM 1338 CG ARG A 85 3.788 9.181 3.304 1.00 0.00 C ATOM 1339 CD ARG A 85 2.381 9.462 2.796 1.00 0.00 C ATOM 1340 NE ARG A 85 1.361 9.059 3.760 1.00 0.00 N ATOM 1341 CZ ARG A 85 0.068 8.974 3.469 1.00 0.00 C ATOM 1342 NH1 ARG A 85 -0.361 9.262 2.247 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.800 8.601 4.400 1.00 0.00 N ATOM 0 H ARG A 85 6.236 11.483 1.198 1.00 0.00 H new ATOM 0 HA ARG A 85 6.087 8.703 1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.582 10.343 3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.315 11.059 2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.056 8.148 3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.814 9.293 4.388 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.278 10.526 2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.222 8.932 1.857 1.00 0.00 H new ATOM 0 HE ARG A 85 1.658 8.830 4.709 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.303 9.550 1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.355 9.196 2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.475 8.379 5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.793 8.536 4.175 1.00 0.00 H new ATOM 1357 N ALA A 86 3.660 10.000 -0.156 1.00 0.00 N ATOM 1358 CA ALA A 86 2.602 9.663 -1.102 1.00 0.00 C ATOM 1359 C ALA A 86 3.121 8.744 -2.202 1.00 0.00 C ATOM 1360 O ALA A 86 2.367 7.956 -2.775 1.00 0.00 O ATOM 1361 CB ALA A 86 2.012 10.931 -1.705 1.00 0.00 C ATOM 0 H ALA A 86 3.788 11.000 -0.004 1.00 0.00 H new ATOM 0 HA ALA A 86 1.819 9.131 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.223 10.666 -2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.596 11.552 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.794 11.484 -2.226 1.00 0.00 H new ATOM 1367 N LYS A 87 4.412 8.848 -2.494 1.00 0.00 N ATOM 1368 CA LYS A 87 5.034 8.025 -3.525 1.00 0.00 C ATOM 1369 C LYS A 87 5.194 6.585 -3.049 1.00 0.00 C ATOM 1370 O LYS A 87 4.905 5.641 -3.785 1.00 0.00 O ATOM 1371 CB LYS A 87 6.399 8.599 -3.912 1.00 0.00 C ATOM 1372 CG LYS A 87 6.751 8.396 -5.375 1.00 0.00 C ATOM 1373 CD LYS A 87 7.776 9.413 -5.849 1.00 0.00 C ATOM 1374 CE LYS A 87 7.652 9.673 -7.343 1.00 0.00 C ATOM 1375 NZ LYS A 87 7.249 11.078 -7.629 1.00 0.00 N ATOM 0 H LYS A 87 5.050 9.495 -2.031 1.00 0.00 H new ATOM 0 HA LYS A 87 4.383 8.031 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.412 9.666 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.168 8.135 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.143 7.389 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.849 8.477 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.643 10.347 -5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.780 9.052 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.605 9.462 -7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.918 8.990 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.175 11.216 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.328 11.272 -7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.962 11.729 -7.243 1.00 0.00 H new ATOM 1389 N VAL A 88 5.654 6.422 -1.812 1.00 0.00 N ATOM 1390 CA VAL A 88 5.849 5.097 -1.237 1.00 0.00 C ATOM 1391 C VAL A 88 4.531 4.338 -1.144 1.00 0.00 C ATOM 1392 O VAL A 88 4.498 3.113 -1.259 1.00 0.00 O ATOM 1393 CB VAL A 88 6.479 5.182 0.166 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.653 3.792 0.759 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.811 5.915 0.109 1.00 0.00 C ATOM 0 H VAL A 88 5.898 7.192 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 88 6.527 4.561 -1.901 1.00 0.00 H new ATOM 0 HB VAL A 88 5.807 5.746 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.099 3.873 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.681 3.306 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.304 3.201 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.242 5.966 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.492 5.380 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.655 6.925 -0.270 1.00 0.00 H new ATOM 1405 N CYS A 89 3.444 5.075 -0.938 1.00 0.00 N ATOM 1406 CA CYS A 89 2.120 4.470 -0.830 1.00 0.00 C ATOM 1407 C CYS A 89 1.588 4.081 -2.204 1.00 0.00 C ATOM 1408 O CYS A 89 0.937 3.047 -2.359 1.00 0.00 O ATOM 1409 CB CYS A 89 1.151 5.436 -0.147 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.225 4.624 0.700 1.00 0.00 S ATOM 0 H CYS A 89 3.453 6.090 -0.843 1.00 0.00 H new ATOM 0 HA CYS A 89 2.206 3.567 -0.226 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.703 6.038 0.574 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.750 6.121 -0.894 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.988 5.522 1.248 1.00 0.00 H new ATOM 1416 N GLU A 90 1.864 4.919 -3.199 1.00 0.00 N ATOM 1417 CA GLU A 90 1.409 4.663 -4.562 1.00 0.00 C ATOM 1418 C GLU A 90 2.199 3.521 -5.193 1.00 0.00 C ATOM 1419 O GLU A 90 1.648 2.704 -5.932 1.00 0.00 O ATOM 1420 CB GLU A 90 1.545 5.926 -5.414 1.00 0.00 C ATOM 1421 CG GLU A 90 0.329 6.211 -6.278 1.00 0.00 C ATOM 1422 CD GLU A 90 -0.871 6.661 -5.466 1.00 0.00 C ATOM 1423 OE1 GLU A 90 -0.707 7.557 -4.611 1.00 0.00 O ATOM 1424 OE2 GLU A 90 -1.973 6.117 -5.687 1.00 0.00 O ATOM 0 H GLU A 90 2.400 5.780 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 90 0.359 4.374 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.722 6.779 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.421 5.829 -6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.579 6.981 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.068 5.313 -6.839 1.00 0.00 H new ATOM 1431 N PHE A 91 3.494 3.470 -4.900 1.00 0.00 N ATOM 1432 CA PHE A 91 4.361 2.431 -5.440 1.00 0.00 C ATOM 1433 C PHE A 91 4.098 1.093 -4.755 1.00 0.00 C ATOM 1434 O PHE A 91 4.200 0.034 -5.377 1.00 0.00 O ATOM 1435 CB PHE A 91 5.831 2.823 -5.270 1.00 0.00 C ATOM 1436 CG PHE A 91 6.727 2.268 -6.341 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.988 0.910 -6.408 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.308 3.107 -7.279 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.812 0.396 -7.393 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.132 2.599 -8.264 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.385 1.242 -8.321 1.00 0.00 C ATOM 0 H PHE A 91 3.966 4.138 -4.290 1.00 0.00 H new ATOM 0 HA PHE A 91 4.141 2.326 -6.502 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.911 3.910 -5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.181 2.476 -4.298 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.543 0.244 -5.683 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.114 4.169 -7.239 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.007 -0.665 -7.436 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.579 3.263 -8.990 1.00 0.00 H new ATOM 0 HZ PHE A 91 9.030 0.844 -9.090 1.00 0.00 H new ATOM 1451 N MET A 92 3.760 1.149 -3.470 1.00 0.00 N ATOM 1452 CA MET A 92 3.481 -0.059 -2.702 1.00 0.00 C ATOM 1453 C MET A 92 2.212 -0.742 -3.201 1.00 0.00 C ATOM 1454 O MET A 92 2.204 -1.944 -3.463 1.00 0.00 O ATOM 1455 CB MET A 92 3.341 0.279 -1.216 1.00 0.00 C ATOM 1456 CG MET A 92 4.608 0.028 -0.414 1.00 0.00 C ATOM 1457 SD MET A 92 4.945 -1.728 -0.180 1.00 0.00 S ATOM 1458 CE MET A 92 4.192 -2.006 1.421 1.00 0.00 C ATOM 0 H MET A 92 3.673 2.016 -2.940 1.00 0.00 H new ATOM 0 HA MET A 92 4.317 -0.746 -2.836 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.058 1.327 -1.115 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.529 -0.312 -0.792 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.453 0.492 -0.923 1.00 0.00 H new ATOM 0 HG3 MET A 92 4.519 0.510 0.560 1.00 0.00 H new ATOM 0 HE1 MET A 92 4.318 -3.051 1.706 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.670 -1.368 2.164 1.00 0.00 H new ATOM 0 HE3 MET A 92 3.129 -1.769 1.369 1.00 0.00 H new ATOM 1468 N ILE A 93 1.141 0.034 -3.331 1.00 0.00 N ATOM 1469 CA ILE A 93 -0.133 -0.496 -3.800 1.00 0.00 C ATOM 1470 C ILE A 93 -0.027 -0.991 -5.239 1.00 0.00 C ATOM 1471 O ILE A 93 -0.616 -2.008 -5.603 1.00 0.00 O ATOM 1472 CB ILE A 93 -1.250 0.560 -3.714 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -1.398 1.061 -2.275 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.566 -0.014 -4.217 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -2.171 2.356 -2.162 1.00 0.00 C ATOM 0 H ILE A 93 1.130 1.031 -3.118 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.385 -1.332 -3.148 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.979 1.404 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.899 0.296 -1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.407 1.200 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.344 0.746 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.454 -0.326 -5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.844 -0.874 -3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.236 2.651 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.660 3.135 -2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.175 2.217 -2.563 1.00 0.00 H new ATOM 1487 N SER A 94 0.729 -0.262 -6.054 1.00 0.00 N ATOM 1488 CA SER A 94 0.912 -0.624 -7.455 1.00 0.00 C ATOM 1489 C SER A 94 1.873 -1.799 -7.591 1.00 0.00 C ATOM 1490 O SER A 94 1.897 -2.480 -8.617 1.00 0.00 O ATOM 1491 CB SER A 94 1.438 0.574 -8.249 1.00 0.00 C ATOM 1492 OG SER A 94 1.227 0.396 -9.639 1.00 0.00 O ATOM 0 H SER A 94 1.225 0.583 -5.768 1.00 0.00 H new ATOM 0 HA SER A 94 -0.057 -0.921 -7.857 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.938 1.483 -7.915 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.502 0.705 -8.053 1.00 0.00 H new ATOM 0 HG SER A 94 1.570 1.175 -10.124 1.00 0.00 H new ATOM 1498 N GLN A 95 2.666 -2.031 -6.549 1.00 0.00 N ATOM 1499 CA GLN A 95 3.630 -3.124 -6.552 1.00 0.00 C ATOM 1500 C GLN A 95 2.989 -4.418 -6.061 1.00 0.00 C ATOM 1501 O GLN A 95 3.448 -5.514 -6.387 1.00 0.00 O ATOM 1502 CB GLN A 95 4.834 -2.773 -5.677 1.00 0.00 C ATOM 1503 CG GLN A 95 5.882 -3.873 -5.613 1.00 0.00 C ATOM 1504 CD GLN A 95 6.146 -4.508 -6.964 1.00 0.00 C ATOM 1505 OE1 GLN A 95 5.991 -5.716 -7.137 1.00 0.00 O ATOM 1506 NE2 GLN A 95 6.544 -3.692 -7.934 1.00 0.00 N ATOM 0 H GLN A 95 2.659 -1.477 -5.693 1.00 0.00 H new ATOM 0 HA GLN A 95 3.967 -3.274 -7.578 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.297 -1.863 -6.059 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.487 -2.554 -4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.812 -3.461 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.554 -4.641 -4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.660 -2.696 -7.747 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.734 -4.062 -8.866 1.00 0.00 H new ATOM 1515 N LEU A 96 1.927 -4.285 -5.274 1.00 0.00 N ATOM 1516 CA LEU A 96 1.222 -5.443 -4.736 1.00 0.00 C ATOM 1517 C LEU A 96 0.039 -5.820 -5.623 1.00 0.00 C ATOM 1518 O LEU A 96 -0.453 -6.946 -5.573 1.00 0.00 O ATOM 1519 CB LEU A 96 0.736 -5.154 -3.314 1.00 0.00 C ATOM 1520 CG LEU A 96 1.732 -5.454 -2.192 1.00 0.00 C ATOM 1521 CD1 LEU A 96 3.120 -4.954 -2.564 1.00 0.00 C ATOM 1522 CD2 LEU A 96 1.269 -4.823 -0.887 1.00 0.00 C ATOM 0 H LEU A 96 1.535 -3.386 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 96 1.917 -6.282 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.456 -4.102 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.169 -5.735 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 96 1.781 -6.534 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.816 -5.176 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.453 -5.450 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.087 -3.877 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.989 -5.046 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.191 -3.743 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.295 -5.227 -0.613 1.00 0.00 H new ATOM 1534 N GLY A 97 -0.413 -4.869 -6.434 1.00 0.00 N ATOM 1535 CA GLY A 97 -1.533 -5.121 -7.323 1.00 0.00 C ATOM 1536 C GLY A 97 -2.843 -4.598 -6.766 1.00 0.00 C ATOM 1537 O GLY A 97 -3.812 -5.346 -6.635 1.00 0.00 O ATOM 0 H GLY A 97 -0.024 -3.928 -6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.339 -4.653 -8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.619 -6.193 -7.500 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.871 -3.312 -6.436 1.00 0.00 N ATOM 1542 CA LEU A 98 -4.073 -2.689 -5.889 1.00 0.00 C ATOM 1543 C LEU A 98 -4.424 -3.287 -4.531 1.00 0.00 C ATOM 1544 O LEU A 98 -5.532 -3.786 -4.331 1.00 0.00 O ATOM 1545 CB LEU A 98 -5.245 -2.861 -6.855 1.00 0.00 C ATOM 1546 CG LEU A 98 -6.426 -1.910 -6.654 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -6.012 -0.476 -6.945 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -7.596 -2.319 -7.536 1.00 0.00 C ATOM 0 H LEU A 98 -2.077 -2.680 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.875 -1.625 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.873 -2.736 -7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.611 -3.885 -6.773 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.743 -1.970 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.865 0.186 -6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.206 -0.186 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.668 -0.399 -7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.427 -1.631 -7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.291 -2.288 -8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.909 -3.331 -7.279 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.477 -3.230 -3.601 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.690 -3.765 -2.261 1.00 0.00 C ATOM 1562 C GLN A 99 -4.262 -2.699 -1.334 1.00 0.00 C ATOM 1563 O GLN A 99 -3.589 -1.724 -1.000 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.376 -4.302 -1.689 1.00 0.00 C ATOM 1565 CG GLN A 99 -2.567 -5.286 -0.546 1.00 0.00 C ATOM 1566 CD GLN A 99 -3.020 -6.653 -1.022 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -2.201 -7.529 -1.302 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -4.331 -6.840 -1.119 1.00 0.00 N ATOM 0 H GLN A 99 -2.555 -2.819 -3.750 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.408 -4.582 -2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.814 -4.789 -2.486 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.772 -3.464 -1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.630 -5.388 0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.302 -4.887 0.153 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.973 -6.086 -0.876 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.696 -7.738 -1.436 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.511 -2.891 -0.922 1.00 0.00 N ATOM 1578 CA LYS A 100 -6.177 -1.947 -0.031 1.00 0.00 C ATOM 1579 C LYS A 100 -7.208 -2.654 0.840 1.00 0.00 C ATOM 1580 O LYS A 100 -8.099 -2.020 1.406 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.854 -0.839 -0.843 1.00 0.00 C ATOM 1582 CG LYS A 100 -7.115 0.426 -0.047 1.00 0.00 C ATOM 1583 CD LYS A 100 -8.041 1.374 -0.791 1.00 0.00 C ATOM 1584 CE LYS A 100 -9.263 1.729 0.044 1.00 0.00 C ATOM 1585 NZ LYS A 100 -10.263 2.505 -0.742 1.00 0.00 N ATOM 0 H LYS A 100 -6.083 -3.692 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.421 -1.505 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.228 -0.595 -1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.800 -1.213 -1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.556 0.166 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.170 0.928 0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.500 2.284 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.359 0.914 -1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.725 0.816 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.953 2.310 0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.081 2.728 -0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.830 3.388 -1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.577 1.941 -1.557 1.00 0.00 H new ATOM 1599 N LYS A 101 -7.081 -3.973 0.946 1.00 0.00 N ATOM 1600 CA LYS A 101 -8.000 -4.769 1.751 1.00 0.00 C ATOM 1601 C LYS A 101 -8.080 -4.230 3.176 1.00 0.00 C ATOM 1602 O LYS A 101 -9.090 -4.398 3.858 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.555 -6.233 1.773 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.326 -7.116 0.808 1.00 0.00 C ATOM 1605 CD LYS A 101 -9.643 -7.584 1.409 1.00 0.00 C ATOM 1606 CE LYS A 101 -10.030 -8.962 0.898 1.00 0.00 C ATOM 1607 NZ LYS A 101 -11.239 -9.489 1.589 1.00 0.00 N ATOM 0 H LYS A 101 -6.350 -4.513 0.484 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.990 -4.703 1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.493 -6.285 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.672 -6.625 2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.520 -6.567 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.719 -7.981 0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.560 -7.608 2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.430 -6.870 1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.217 -8.912 -0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.198 -9.651 1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.471 -10.430 1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.052 -9.560 2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.039 -8.845 1.428 1.00 0.00 H new ATOM 1621 N ASN A 102 -7.007 -3.582 3.621 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.957 -3.019 4.965 1.00 0.00 C ATOM 1623 C ASN A 102 -5.700 -2.176 5.155 1.00 0.00 C ATOM 1624 O ASN A 102 -4.640 -2.493 4.616 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.000 -4.135 6.010 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.468 -3.641 7.366 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.927 -2.677 7.908 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.480 -4.301 7.918 1.00 0.00 N ATOM 0 H ASN A 102 -6.161 -3.434 3.070 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.827 -2.376 5.095 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.666 -4.926 5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.007 -4.574 6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -8.840 -4.014 8.828 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -8.897 -5.094 7.432 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.827 -1.100 5.924 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.701 -0.212 6.187 1.00 0.00 C ATOM 1637 C ILE A 103 -4.723 0.294 7.624 1.00 0.00 C ATOM 1638 O ILE A 103 -5.704 0.890 8.070 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.701 0.995 5.229 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -3.458 1.858 5.462 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -5.967 1.818 5.414 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -3.404 3.087 4.582 1.00 0.00 C ATOM 0 H ILE A 103 -6.698 -0.822 6.376 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.795 -0.795 6.024 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.678 0.627 4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.431 2.167 6.507 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.568 1.254 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.952 2.667 4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.838 1.198 5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -6.019 2.180 6.441 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.497 3.651 4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.400 2.785 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -4.276 3.712 4.776 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.633 0.057 8.347 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.525 0.490 9.734 1.00 0.00 C ATOM 1656 C LYS A 104 -2.750 1.800 9.836 1.00 0.00 C ATOM 1657 O LYS A 104 -1.536 1.831 9.632 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.836 -0.587 10.575 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.162 -0.502 12.056 1.00 0.00 C ATOM 1660 CD LYS A 104 -4.643 -0.721 12.317 1.00 0.00 C ATOM 1661 CE LYS A 104 -4.870 -1.651 13.498 1.00 0.00 C ATOM 1662 NZ LYS A 104 -6.086 -2.492 13.316 1.00 0.00 N ATOM 0 H LYS A 104 -2.811 -0.433 7.994 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.533 0.652 10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.128 -1.569 10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.757 -0.504 10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.582 -1.248 12.600 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.865 0.474 12.439 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.125 0.237 12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.112 -1.141 11.427 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.999 -2.294 13.626 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.969 -1.062 14.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.088 -3.256 14.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.936 -1.905 13.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.084 -2.903 12.361 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.459 2.879 10.153 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.836 4.190 10.283 1.00 0.00 C ATOM 1678 C ILE A 105 -2.587 4.537 11.747 1.00 0.00 C ATOM 1679 O ILE A 105 -3.378 4.186 12.623 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.704 5.292 9.648 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.075 6.667 9.882 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -5.116 5.245 10.212 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -1.699 6.815 9.273 1.00 0.00 C ATOM 0 H ILE A 105 -4.464 2.871 10.324 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.883 4.140 9.756 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.757 5.117 8.573 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.731 7.433 9.467 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.010 6.850 10.955 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.717 6.030 9.753 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.562 4.274 9.997 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.082 5.397 11.291 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.316 7.814 9.479 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.028 6.073 9.705 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.760 6.665 8.195 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.482 5.229 12.005 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.128 5.626 13.363 1.00 0.00 C ATOM 1697 C HIS A 106 -1.704 6.999 13.696 1.00 0.00 C ATOM 1698 O HIS A 106 -1.270 8.014 13.154 1.00 0.00 O ATOM 1699 CB HIS A 106 0.392 5.644 13.534 1.00 0.00 C ATOM 1700 CG HIS A 106 0.842 6.218 14.842 1.00 0.00 C ATOM 1701 ND1 HIS A 106 1.179 5.439 15.928 1.00 0.00 N ATOM 1702 CD2 HIS A 106 1.009 7.501 15.234 1.00 0.00 C ATOM 1703 CE1 HIS A 106 1.535 6.219 16.933 1.00 0.00 C ATOM 1704 NE2 HIS A 106 1.441 7.476 16.538 1.00 0.00 N ATOM 0 H HIS A 106 -0.816 5.526 11.292 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.555 4.895 14.050 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.771 4.626 13.444 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.834 6.222 12.722 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.835 8.382 14.634 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.849 5.886 17.911 1.00 0.00 H new ATOM 0 HE2 HIS A 106 1.654 8.294 17.108 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.688 7.023 14.592 1.00 0.00 N ATOM 1713 CA GLY A 107 -3.307 8.275 14.980 1.00 0.00 C ATOM 1714 C GLY A 107 -2.703 8.854 16.243 1.00 0.00 C ATOM 1715 O GLY A 107 -2.549 8.155 17.244 1.00 0.00 O ATOM 0 H GLY A 107 -3.066 6.197 15.055 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.203 8.995 14.168 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.375 8.117 15.131 1.00 0.00 H new ATOM 1719 N PHE A 108 -2.357 10.138 16.197 1.00 0.00 N ATOM 1720 CA PHE A 108 -1.762 10.810 17.345 1.00 0.00 C ATOM 1721 C PHE A 108 -2.819 11.579 18.132 1.00 0.00 C ATOM 1722 O PHE A 108 -2.502 12.504 18.878 1.00 0.00 O ATOM 1723 CB PHE A 108 -0.657 11.764 16.888 1.00 0.00 C ATOM 1724 CG PHE A 108 0.674 11.491 17.529 1.00 0.00 C ATOM 1725 CD1 PHE A 108 0.836 11.615 18.900 1.00 0.00 C ATOM 1726 CD2 PHE A 108 1.761 11.107 16.762 1.00 0.00 C ATOM 1727 CE1 PHE A 108 2.060 11.365 19.491 1.00 0.00 C ATOM 1728 CE2 PHE A 108 2.987 10.855 17.347 1.00 0.00 C ATOM 1729 CZ PHE A 108 3.136 10.982 18.714 1.00 0.00 C ATOM 0 H PHE A 108 -2.479 10.732 15.377 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.330 10.050 17.996 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.551 11.693 15.805 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -0.956 12.788 17.112 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.003 11.910 19.513 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.649 11.003 15.693 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.175 11.469 20.560 1.00 0.00 H new ATOM 0 HE2 PHE A 108 3.827 10.559 16.736 1.00 0.00 H new ATOM 0 HZ PHE A 108 4.092 10.782 19.175 1.00 0.00 H new TER 1739 PHE A 108