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= -3.52 X(o=-5.5,f=-5.2) USER MOD Set 1.2: A 102 ASN : amide:sc= -2.02 K(o=-5.5,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0.0673 K(o=0.067,f=-3.8!) 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= -0.202 USER MOD Single : A 22 THR OG1 : rot 34:sc= 0.242 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -3.31 K(o=-3.3,f=-5.5!) USER MOD Single : A 31 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.4!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 34 ASN : amide:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 101:sc= 0.478 USER MOD Single : A 40 THR OG1 : rot 150:sc= 0 USER MOD Single : A 41 THR OG1 : rot -151:sc= -0.694 USER MOD Single : A 43 GLN : amide:sc= -0.822 K(o=-0.82,f=-1.8!) 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= -0.041 USER MOD Single : A 65 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.24) USER MOD Single : A 67 ASN : amide:sc= -0.0464 X(o=-0.046,f=-0.35) 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= -0.109 K(o=-0.11,f=-1.8!) USER MOD Single : A 84 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.6!) 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 -160:sc= -0.0606 (180deg=-0.119) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.28) USER MOD Single : A 99 GLN : amide:sc= -2.41 K(o=-2.4,f=-3.1) 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 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -57.894 -38.924 -7.822 1.00 0.00 N ATOM 2 CA MET A 1 -57.927 -40.056 -6.903 1.00 0.00 C ATOM 3 C MET A 1 -56.551 -40.300 -6.291 1.00 0.00 C ATOM 4 O MET A 1 -55.845 -41.231 -6.678 1.00 0.00 O ATOM 5 CB MET A 1 -58.405 -41.316 -7.629 1.00 0.00 C ATOM 6 CG MET A 1 -59.904 -41.549 -7.518 1.00 0.00 C ATOM 7 SD MET A 1 -60.726 -41.550 -9.122 1.00 0.00 S ATOM 8 CE MET A 1 -61.935 -40.250 -8.883 1.00 0.00 C ATOM 0 H1 MET A 1 -58.841 -38.777 -8.226 1.00 0.00 H new ATOM 0 H2 MET A 1 -57.600 -38.069 -7.309 1.00 0.00 H new ATOM 0 H3 MET A 1 -57.217 -39.118 -8.588 1.00 0.00 H new ATOM 0 HA MET A 1 -58.626 -39.820 -6.100 1.00 0.00 H new ATOM 0 HB2 MET A 1 -58.134 -41.244 -8.682 1.00 0.00 H new ATOM 0 HB3 MET A 1 -57.880 -42.181 -7.223 1.00 0.00 H new ATOM 0 HG2 MET A 1 -60.084 -42.502 -7.021 1.00 0.00 H new ATOM 0 HG3 MET A 1 -60.343 -40.774 -6.889 1.00 0.00 H new ATOM 0 HE1 MET A 1 -62.525 -40.130 -9.792 1.00 0.00 H new ATOM 0 HE2 MET A 1 -62.594 -40.513 -8.055 1.00 0.00 H new ATOM 0 HE3 MET A 1 -61.423 -39.315 -8.656 1.00 0.00 H new ATOM 17 N SER A 2 -56.176 -39.457 -5.335 1.00 0.00 N ATOM 18 CA SER A 2 -54.882 -39.578 -4.673 1.00 0.00 C ATOM 19 C SER A 2 -53.742 -39.405 -5.672 1.00 0.00 C ATOM 20 O SER A 2 -53.959 -39.398 -6.884 1.00 0.00 O ATOM 21 CB SER A 2 -54.766 -40.938 -3.980 1.00 0.00 C ATOM 22 OG SER A 2 -55.942 -41.239 -3.250 1.00 0.00 O ATOM 0 H SER A 2 -56.750 -38.682 -5.001 1.00 0.00 H new ATOM 0 HA SER A 2 -54.809 -38.789 -3.925 1.00 0.00 H new ATOM 0 HB2 SER A 2 -54.587 -41.715 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 2 -53.908 -40.936 -3.308 1.00 0.00 H new ATOM 0 HG SER A 2 -55.844 -42.113 -2.818 1.00 0.00 H new ATOM 28 N ILE A 3 -52.527 -39.264 -5.154 1.00 0.00 N ATOM 29 CA ILE A 3 -51.352 -39.091 -5.999 1.00 0.00 C ATOM 30 C ILE A 3 -50.116 -39.715 -5.359 1.00 0.00 C ATOM 31 O ILE A 3 -49.921 -39.624 -4.146 1.00 0.00 O ATOM 32 CB ILE A 3 -51.074 -37.602 -6.280 1.00 0.00 C ATOM 33 CG1 ILE A 3 -49.946 -37.456 -7.305 1.00 0.00 C ATOM 34 CG2 ILE A 3 -50.722 -36.877 -4.990 1.00 0.00 C ATOM 35 CD1 ILE A 3 -50.077 -36.225 -8.174 1.00 0.00 C ATOM 0 H ILE A 3 -52.330 -39.266 -4.153 1.00 0.00 H new ATOM 0 HA ILE A 3 -51.565 -39.597 -6.941 1.00 0.00 H new ATOM 0 HB ILE A 3 -51.976 -37.150 -6.693 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -48.991 -37.421 -6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -49.928 -38.340 -7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -50.528 -35.826 -5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -51.553 -36.957 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -49.832 -37.328 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -49.245 -36.185 -8.877 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -51.016 -36.268 -8.726 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -50.065 -35.334 -7.547 1.00 0.00 H new ATOM 47 N GLU A 4 -49.284 -40.347 -6.181 1.00 0.00 N ATOM 48 CA GLU A 4 -48.068 -40.985 -5.693 1.00 0.00 C ATOM 49 C GLU A 4 -46.848 -40.496 -6.470 1.00 0.00 C ATOM 50 O GLU A 4 -46.365 -41.174 -7.376 1.00 0.00 O ATOM 51 CB GLU A 4 -48.182 -42.507 -5.806 1.00 0.00 C ATOM 52 CG GLU A 4 -48.644 -42.981 -7.174 1.00 0.00 C ATOM 53 CD GLU A 4 -47.811 -44.134 -7.703 1.00 0.00 C ATOM 54 OE1 GLU A 4 -47.351 -44.958 -6.885 1.00 0.00 O ATOM 55 OE2 GLU A 4 -47.620 -44.210 -8.935 1.00 0.00 O ATOM 0 H GLU A 4 -49.430 -40.431 -7.187 1.00 0.00 H new ATOM 0 HA GLU A 4 -47.942 -40.715 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -47.213 -42.953 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -48.880 -42.868 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -49.688 -43.289 -7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -48.596 -42.150 -7.878 1.00 0.00 H new ATOM 62 N ASN A 5 -46.359 -39.315 -6.110 1.00 0.00 N ATOM 63 CA ASN A 5 -45.197 -38.735 -6.774 1.00 0.00 C ATOM 64 C ASN A 5 -43.934 -38.943 -5.943 1.00 0.00 C ATOM 65 O ASN A 5 -43.995 -39.041 -4.717 1.00 0.00 O ATOM 66 CB ASN A 5 -45.418 -37.241 -7.021 1.00 0.00 C ATOM 67 CG ASN A 5 -44.580 -36.714 -8.170 1.00 0.00 C ATOM 68 OD1 ASN A 5 -43.868 -37.470 -8.831 1.00 0.00 O ATOM 69 ND2 ASN A 5 -44.662 -35.411 -8.411 1.00 0.00 N ATOM 0 H ASN A 5 -46.749 -38.740 -5.363 1.00 0.00 H new ATOM 0 HA ASN A 5 -45.067 -39.240 -7.731 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -46.472 -37.063 -7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -45.176 -36.686 -6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -44.121 -34.998 -9.171 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -45.266 -34.823 -7.836 1.00 0.00 H new ATOM 76 N LEU A 6 -42.792 -39.008 -6.619 1.00 0.00 N ATOM 77 CA LEU A 6 -41.515 -39.205 -5.943 1.00 0.00 C ATOM 78 C LEU A 6 -40.351 -38.999 -6.908 1.00 0.00 C ATOM 79 O LEU A 6 -39.431 -39.814 -6.970 1.00 0.00 O ATOM 80 CB LEU A 6 -41.447 -40.606 -5.335 1.00 0.00 C ATOM 81 CG LEU A 6 -41.633 -41.770 -6.309 1.00 0.00 C ATOM 82 CD1 LEU A 6 -40.572 -42.836 -6.077 1.00 0.00 C ATOM 83 CD2 LEU A 6 -43.027 -42.364 -6.170 1.00 0.00 C ATOM 0 H LEU A 6 -42.725 -38.927 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 6 -41.437 -38.466 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -40.481 -40.721 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -42.210 -40.681 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 6 -41.521 -41.390 -7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -40.721 -43.656 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -39.583 -42.404 -6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -40.652 -43.213 -5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -43.142 -43.191 -6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -43.167 -42.728 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -43.772 -41.599 -6.387 1.00 0.00 H new ATOM 95 N LYS A 7 -40.398 -37.904 -7.659 1.00 0.00 N ATOM 96 CA LYS A 7 -39.347 -37.588 -8.619 1.00 0.00 C ATOM 97 C LYS A 7 -38.943 -36.121 -8.521 1.00 0.00 C ATOM 98 O LYS A 7 -39.725 -35.229 -8.852 1.00 0.00 O ATOM 99 CB LYS A 7 -39.815 -37.906 -10.041 1.00 0.00 C ATOM 100 CG LYS A 7 -39.929 -39.393 -10.326 1.00 0.00 C ATOM 101 CD LYS A 7 -38.933 -39.837 -11.384 1.00 0.00 C ATOM 102 CE LYS A 7 -38.619 -41.321 -11.268 1.00 0.00 C ATOM 103 NZ LYS A 7 -38.606 -41.989 -12.599 1.00 0.00 N ATOM 0 H LYS A 7 -41.154 -37.220 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 7 -38.478 -38.202 -8.383 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -40.785 -37.437 -10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -39.119 -37.461 -10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -39.759 -39.954 -9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -40.941 -39.624 -10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -39.335 -39.626 -12.375 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -38.013 -39.261 -11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -37.650 -41.451 -10.787 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -39.360 -41.800 -10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -38.388 -42.999 -12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -39.539 -41.887 -13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -37.882 -41.548 -13.201 1.00 0.00 H new ATOM 117 N SER A 8 -37.718 -35.878 -8.065 1.00 0.00 N ATOM 118 CA SER A 8 -37.212 -34.517 -7.921 1.00 0.00 C ATOM 119 C SER A 8 -35.725 -34.524 -7.582 1.00 0.00 C ATOM 120 O SER A 8 -35.320 -35.004 -6.524 1.00 0.00 O ATOM 121 CB SER A 8 -37.992 -33.773 -6.836 1.00 0.00 C ATOM 122 OG SER A 8 -37.264 -32.652 -6.363 1.00 0.00 O ATOM 0 H SER A 8 -37.058 -36.605 -7.789 1.00 0.00 H new ATOM 0 HA SER A 8 -37.347 -34.002 -8.872 1.00 0.00 H new ATOM 0 HB2 SER A 8 -38.952 -33.445 -7.234 1.00 0.00 H new ATOM 0 HB3 SER A 8 -38.204 -34.449 -6.008 1.00 0.00 H new ATOM 0 HG SER A 8 -37.784 -32.192 -5.671 1.00 0.00 H new ATOM 128 N PHE A 9 -34.915 -33.987 -8.490 1.00 0.00 N ATOM 129 CA PHE A 9 -33.472 -33.932 -8.288 1.00 0.00 C ATOM 130 C PHE A 9 -32.942 -32.523 -8.538 1.00 0.00 C ATOM 131 O PHE A 9 -33.442 -31.805 -9.404 1.00 0.00 O ATOM 132 CB PHE A 9 -32.768 -34.926 -9.213 1.00 0.00 C ATOM 133 CG PHE A 9 -33.002 -34.657 -10.672 1.00 0.00 C ATOM 134 CD1 PHE A 9 -34.182 -35.050 -11.283 1.00 0.00 C ATOM 135 CD2 PHE A 9 -32.042 -34.011 -11.434 1.00 0.00 C ATOM 136 CE1 PHE A 9 -34.400 -34.804 -12.625 1.00 0.00 C ATOM 137 CE2 PHE A 9 -32.257 -33.759 -12.776 1.00 0.00 C ATOM 138 CZ PHE A 9 -33.435 -34.158 -13.373 1.00 0.00 C ATOM 0 H PHE A 9 -35.234 -33.584 -9.371 1.00 0.00 H new ATOM 0 HA PHE A 9 -33.264 -34.201 -7.252 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -31.697 -34.899 -9.014 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -33.110 -35.934 -8.978 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -34.941 -35.555 -10.703 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -31.115 -33.701 -10.974 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -35.324 -35.116 -13.089 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -31.503 -33.250 -13.357 1.00 0.00 H new ATOM 0 HZ PHE A 9 -33.602 -33.966 -14.423 1.00 0.00 H new ATOM 148 N ASP A 10 -31.927 -32.136 -7.775 1.00 0.00 N ATOM 149 CA ASP A 10 -31.327 -30.813 -7.913 1.00 0.00 C ATOM 150 C ASP A 10 -30.001 -30.894 -8.664 1.00 0.00 C ATOM 151 O ASP A 10 -29.380 -31.953 -8.764 1.00 0.00 O ATOM 152 CB ASP A 10 -31.112 -30.181 -6.538 1.00 0.00 C ATOM 153 CG ASP A 10 -32.156 -29.132 -6.212 1.00 0.00 C ATOM 154 OD1 ASP A 10 -33.349 -29.490 -6.121 1.00 0.00 O ATOM 155 OD2 ASP A 10 -31.782 -27.951 -6.049 1.00 0.00 O ATOM 0 H ASP A 10 -31.502 -32.719 -7.054 1.00 0.00 H new ATOM 0 HA ASP A 10 -32.011 -30.188 -8.487 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -31.134 -30.960 -5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -30.122 -29.727 -6.501 1.00 0.00 H new ATOM 160 N PRO A 11 -29.557 -29.750 -9.205 1.00 0.00 N ATOM 161 CA PRO A 11 -28.300 -29.665 -9.955 1.00 0.00 C ATOM 162 C PRO A 11 -27.078 -29.832 -9.060 1.00 0.00 C ATOM 163 O PRO A 11 -27.168 -29.702 -7.840 1.00 0.00 O ATOM 164 CB PRO A 11 -28.339 -28.256 -10.553 1.00 0.00 C ATOM 165 CG PRO A 11 -29.217 -27.479 -9.634 1.00 0.00 C ATOM 166 CD PRO A 11 -30.245 -28.451 -9.124 1.00 0.00 C ATOM 0 HA PRO A 11 -28.215 -30.456 -10.700 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -27.341 -27.822 -10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -28.739 -28.267 -11.567 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -28.642 -27.052 -8.812 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -29.691 -26.648 -10.157 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -30.546 -28.219 -8.102 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -31.149 -28.436 -9.733 1.00 0.00 H new ATOM 174 N PHE A 12 -25.935 -30.119 -9.675 1.00 0.00 N ATOM 175 CA PHE A 12 -24.693 -30.304 -8.933 1.00 0.00 C ATOM 176 C PHE A 12 -24.217 -28.985 -8.334 1.00 0.00 C ATOM 177 O PHE A 12 -23.854 -28.919 -7.158 1.00 0.00 O ATOM 178 CB PHE A 12 -23.610 -30.883 -9.846 1.00 0.00 C ATOM 179 CG PHE A 12 -22.299 -31.113 -9.150 1.00 0.00 C ATOM 180 CD1 PHE A 12 -22.206 -32.010 -8.099 1.00 0.00 C ATOM 181 CD2 PHE A 12 -21.160 -30.432 -9.548 1.00 0.00 C ATOM 182 CE1 PHE A 12 -21.000 -32.222 -7.456 1.00 0.00 C ATOM 183 CE2 PHE A 12 -19.953 -30.639 -8.909 1.00 0.00 C ATOM 184 CZ PHE A 12 -19.873 -31.538 -7.862 1.00 0.00 C ATOM 0 H PHE A 12 -25.843 -30.228 -10.685 1.00 0.00 H new ATOM 0 HA PHE A 12 -24.885 -31.004 -8.120 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -23.963 -31.827 -10.261 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -23.453 -30.205 -10.685 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -23.085 -32.550 -7.778 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -21.217 -29.731 -10.368 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -20.941 -32.923 -6.636 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -19.073 -30.099 -9.227 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.930 -31.705 -7.363 1.00 0.00 H new ATOM 194 N ALA A 13 -24.220 -27.935 -9.150 1.00 0.00 N ATOM 195 CA ALA A 13 -23.790 -26.617 -8.700 1.00 0.00 C ATOM 196 C ALA A 13 -22.319 -26.628 -8.297 1.00 0.00 C ATOM 197 O ALA A 13 -21.724 -27.689 -8.111 1.00 0.00 O ATOM 198 CB ALA A 13 -24.653 -26.147 -7.538 1.00 0.00 C ATOM 0 H ALA A 13 -24.515 -27.972 -10.126 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.908 -25.921 -9.530 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -24.320 -25.161 -7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.694 -26.091 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -24.564 -26.851 -6.711 1.00 0.00 H new ATOM 204 N ASP A 14 -21.738 -25.439 -8.167 1.00 0.00 N ATOM 205 CA ASP A 14 -20.336 -25.313 -7.786 1.00 0.00 C ATOM 206 C ASP A 14 -20.147 -24.187 -6.774 1.00 0.00 C ATOM 207 O ASP A 14 -20.999 -23.306 -6.642 1.00 0.00 O ATOM 208 CB ASP A 14 -19.472 -25.056 -9.022 1.00 0.00 C ATOM 209 CG ASP A 14 -18.628 -26.257 -9.397 1.00 0.00 C ATOM 210 OD1 ASP A 14 -17.611 -26.505 -8.716 1.00 0.00 O ATOM 211 OD2 ASP A 14 -18.982 -26.950 -10.374 1.00 0.00 O ATOM 0 H ASP A 14 -22.216 -24.551 -8.320 1.00 0.00 H new ATOM 0 HA ASP A 14 -20.025 -26.249 -7.322 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -20.114 -24.790 -9.862 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.821 -24.202 -8.836 1.00 0.00 H new ATOM 216 N THR A 15 -19.026 -24.219 -6.061 1.00 0.00 N ATOM 217 CA THR A 15 -18.727 -23.203 -5.060 1.00 0.00 C ATOM 218 C THR A 15 -17.233 -22.903 -5.011 1.00 0.00 C ATOM 219 O THR A 15 -16.406 -23.794 -5.190 1.00 0.00 O ATOM 220 CB THR A 15 -19.197 -23.639 -3.660 1.00 0.00 C ATOM 221 OG1 THR A 15 -18.983 -22.581 -2.720 1.00 0.00 O ATOM 222 CG2 THR A 15 -18.458 -24.887 -3.203 1.00 0.00 C ATOM 0 H THR A 15 -18.309 -24.938 -6.158 1.00 0.00 H new ATOM 0 HA THR A 15 -19.267 -22.302 -5.352 1.00 0.00 H new ATOM 0 HB THR A 15 -20.261 -23.867 -3.714 1.00 0.00 H new ATOM 0 HG1 THR A 15 -19.286 -22.866 -1.833 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.808 -25.175 -2.212 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.648 -25.699 -3.904 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.388 -24.683 -3.165 1.00 0.00 H new ATOM 230 N GLY A 16 -16.896 -21.641 -4.767 1.00 0.00 N ATOM 231 CA GLY A 16 -15.501 -21.245 -4.696 1.00 0.00 C ATOM 232 C GLY A 16 -15.003 -21.124 -3.270 1.00 0.00 C ATOM 233 O GLY A 16 -15.490 -21.815 -2.375 1.00 0.00 O ATOM 0 H GLY A 16 -17.564 -20.885 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -14.892 -21.975 -5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.372 -20.290 -5.205 1.00 0.00 H new ATOM 237 N ASP A 17 -14.029 -20.247 -3.059 1.00 0.00 N ATOM 238 CA ASP A 17 -13.462 -20.038 -1.731 1.00 0.00 C ATOM 239 C ASP A 17 -12.416 -18.929 -1.754 1.00 0.00 C ATOM 240 O ASP A 17 -11.854 -18.613 -2.804 1.00 0.00 O ATOM 241 CB ASP A 17 -12.838 -21.335 -1.210 1.00 0.00 C ATOM 242 CG ASP A 17 -13.492 -21.818 0.068 1.00 0.00 C ATOM 243 OD1 ASP A 17 -13.255 -21.199 1.126 1.00 0.00 O ATOM 244 OD2 ASP A 17 -14.239 -22.817 0.012 1.00 0.00 O ATOM 0 H ASP A 17 -13.615 -19.669 -3.790 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.268 -19.737 -1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.924 -22.108 -1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.774 -21.178 -1.033 1.00 0.00 H new ATOM 249 N ASP A 18 -12.161 -18.338 -0.591 1.00 0.00 N ATOM 250 CA ASP A 18 -11.183 -17.263 -0.478 1.00 0.00 C ATOM 251 C ASP A 18 -10.751 -17.072 0.972 1.00 0.00 C ATOM 252 O ASP A 18 -11.121 -17.855 1.848 1.00 0.00 O ATOM 253 CB ASP A 18 -11.762 -15.959 -1.027 1.00 0.00 C ATOM 254 CG ASP A 18 -10.968 -15.422 -2.202 1.00 0.00 C ATOM 255 OD1 ASP A 18 -10.733 -16.189 -3.159 1.00 0.00 O ATOM 256 OD2 ASP A 18 -10.580 -14.235 -2.165 1.00 0.00 O ATOM 0 H ASP A 18 -12.618 -18.586 0.286 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.307 -17.538 -1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.794 -16.125 -1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.782 -15.212 -0.234 1.00 0.00 H new ATOM 261 N GLU A 19 -9.967 -16.028 1.219 1.00 0.00 N ATOM 262 CA GLU A 19 -9.484 -15.735 2.564 1.00 0.00 C ATOM 263 C GLU A 19 -10.569 -15.062 3.398 1.00 0.00 C ATOM 264 O GLU A 19 -10.951 -13.920 3.138 1.00 0.00 O ATOM 265 CB GLU A 19 -8.245 -14.841 2.501 1.00 0.00 C ATOM 266 CG GLU A 19 -7.312 -15.008 3.689 1.00 0.00 C ATOM 267 CD GLU A 19 -6.772 -16.421 3.811 1.00 0.00 C ATOM 268 OE1 GLU A 19 -5.781 -16.740 3.121 1.00 0.00 O ATOM 269 OE2 GLU A 19 -7.341 -17.207 4.598 1.00 0.00 O ATOM 0 H GLU A 19 -9.652 -15.370 0.506 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.218 -16.679 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.696 -15.060 1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.561 -13.800 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.479 -14.311 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.843 -14.746 4.604 1.00 0.00 H new ATOM 276 N THR A 20 -11.066 -15.779 4.401 1.00 0.00 N ATOM 277 CA THR A 20 -12.110 -15.252 5.273 1.00 0.00 C ATOM 278 C THR A 20 -11.582 -14.111 6.134 1.00 0.00 C ATOM 279 O THR A 20 -12.155 -13.024 6.158 1.00 0.00 O ATOM 280 CB THR A 20 -12.682 -16.350 6.189 1.00 0.00 C ATOM 281 OG1 THR A 20 -11.643 -16.899 7.007 1.00 0.00 O ATOM 282 CG2 THR A 20 -13.326 -17.458 5.369 1.00 0.00 C ATOM 0 H THR A 20 -10.763 -16.726 4.630 1.00 0.00 H new ATOM 0 HA THR A 20 -12.904 -14.878 4.627 1.00 0.00 H new ATOM 0 HB THR A 20 -13.444 -15.899 6.825 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.017 -17.595 7.587 1.00 0.00 H new ATOM 0 HG21 THR A 20 -13.723 -18.222 6.038 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.137 -17.043 4.770 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.580 -17.904 4.711 1.00 0.00 H new ATOM 290 N ALA A 21 -10.485 -14.367 6.842 1.00 0.00 N ATOM 291 CA ALA A 21 -9.879 -13.359 7.703 1.00 0.00 C ATOM 292 C ALA A 21 -9.495 -12.118 6.906 1.00 0.00 C ATOM 293 O ALA A 21 -9.047 -12.213 5.763 1.00 0.00 O ATOM 294 CB ALA A 21 -8.662 -13.934 8.411 1.00 0.00 C ATOM 0 H ALA A 21 -9.999 -15.264 6.836 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.614 -13.064 8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.219 -13.171 9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.964 -14.787 9.019 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.930 -14.257 7.671 1.00 0.00 H new ATOM 300 N THR A 22 -9.670 -10.950 7.518 1.00 0.00 N ATOM 301 CA THR A 22 -9.342 -9.688 6.865 1.00 0.00 C ATOM 302 C THR A 22 -8.822 -8.668 7.872 1.00 0.00 C ATOM 303 O THR A 22 -9.551 -8.234 8.763 1.00 0.00 O ATOM 304 CB THR A 22 -10.565 -9.099 6.138 1.00 0.00 C ATOM 305 OG1 THR A 22 -11.696 -9.078 7.016 1.00 0.00 O ATOM 306 CG2 THR A 22 -10.896 -9.908 4.894 1.00 0.00 C ATOM 0 H THR A 22 -10.037 -10.852 8.465 1.00 0.00 H new ATOM 0 HA THR A 22 -8.562 -9.902 6.134 1.00 0.00 H new ATOM 0 HB THR A 22 -10.323 -8.080 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.395 -8.906 7.933 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.763 -9.473 4.397 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.044 -9.895 4.214 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.118 -10.937 5.177 1.00 0.00 H new ATOM 314 N SER A 23 -7.556 -8.288 7.724 1.00 0.00 N ATOM 315 CA SER A 23 -6.938 -7.322 8.622 1.00 0.00 C ATOM 316 C SER A 23 -6.104 -6.310 7.840 1.00 0.00 C ATOM 317 O SER A 23 -6.114 -6.301 6.610 1.00 0.00 O ATOM 318 CB SER A 23 -6.060 -8.037 9.650 1.00 0.00 C ATOM 319 OG SER A 23 -6.246 -9.441 9.590 1.00 0.00 O ATOM 0 H SER A 23 -6.939 -8.636 6.990 1.00 0.00 H new ATOM 0 HA SER A 23 -7.733 -6.788 9.143 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.012 -7.798 9.468 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.300 -7.678 10.651 1.00 0.00 H new ATOM 0 HG SER A 23 -5.673 -9.876 10.255 1.00 0.00 H new ATOM 325 N ASN A 24 -5.385 -5.460 8.566 1.00 0.00 N ATOM 326 CA ASN A 24 -4.547 -4.443 7.941 1.00 0.00 C ATOM 327 C ASN A 24 -3.626 -5.065 6.896 1.00 0.00 C ATOM 328 O ASN A 24 -2.905 -6.024 7.178 1.00 0.00 O ATOM 329 CB ASN A 24 -3.716 -3.716 9.001 1.00 0.00 C ATOM 330 CG ASN A 24 -4.574 -3.127 10.103 1.00 0.00 C ATOM 331 OD1 ASN A 24 -5.407 -2.254 9.857 1.00 0.00 O ATOM 332 ND2 ASN A 24 -4.374 -3.601 11.327 1.00 0.00 N ATOM 0 H ASN A 24 -5.366 -5.455 9.586 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.199 -3.725 7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.998 -4.411 9.436 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.142 -2.920 8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.921 -3.241 12.109 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.673 -4.325 11.485 1.00 0.00 H new ATOM 339 N TYR A 25 -3.652 -4.513 5.688 1.00 0.00 N ATOM 340 CA TYR A 25 -2.822 -5.014 4.600 1.00 0.00 C ATOM 341 C TYR A 25 -1.545 -4.188 4.464 1.00 0.00 C ATOM 342 O TYR A 25 -0.541 -4.662 3.932 1.00 0.00 O ATOM 343 CB TYR A 25 -3.599 -4.989 3.283 1.00 0.00 C ATOM 344 CG TYR A 25 -4.008 -6.361 2.795 1.00 0.00 C ATOM 345 CD1 TYR A 25 -5.190 -6.950 3.229 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.211 -7.068 1.903 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.566 -8.204 2.786 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.582 -8.322 1.455 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.759 -8.885 1.899 1.00 0.00 C ATOM 350 OH TYR A 25 -5.130 -10.134 1.456 1.00 0.00 O ATOM 0 H TYR A 25 -4.240 -3.718 5.438 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.547 -6.043 4.832 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.492 -4.376 3.409 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.988 -4.508 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.825 -6.419 3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.287 -6.631 1.554 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.487 -8.648 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.952 -8.858 0.760 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.453 -10.476 0.835 1.00 0.00 H new ATOM 360 N ILE A 26 -1.593 -2.953 4.951 1.00 0.00 N ATOM 361 CA ILE A 26 -0.442 -2.062 4.886 1.00 0.00 C ATOM 362 C ILE A 26 -0.445 -1.074 6.048 1.00 0.00 C ATOM 363 O ILE A 26 -1.403 -0.322 6.234 1.00 0.00 O ATOM 364 CB ILE A 26 -0.409 -1.279 3.560 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.801 -0.737 3.229 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.101 -2.164 2.434 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.775 0.548 2.431 1.00 0.00 C ATOM 0 H ILE A 26 -2.417 -2.547 5.395 1.00 0.00 H new ATOM 0 HA ILE A 26 0.447 -2.690 4.949 1.00 0.00 H new ATOM 0 HB ILE A 26 0.273 -0.436 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.352 -1.492 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.346 -0.568 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.118 -1.596 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.109 -2.507 2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.558 -3.025 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.796 0.874 2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.252 1.318 2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.258 0.379 1.486 1.00 0.00 H new ATOM 379 N HIS A 27 0.632 -1.079 6.825 1.00 0.00 N ATOM 380 CA HIS A 27 0.756 -0.181 7.968 1.00 0.00 C ATOM 381 C HIS A 27 1.620 1.026 7.620 1.00 0.00 C ATOM 382 O HIS A 27 2.647 0.895 6.952 1.00 0.00 O ATOM 383 CB HIS A 27 1.353 -0.923 9.165 1.00 0.00 C ATOM 384 CG HIS A 27 1.162 -0.209 10.467 1.00 0.00 C ATOM 385 ND1 HIS A 27 0.478 -0.757 11.533 1.00 0.00 N ATOM 386 CD2 HIS A 27 1.571 1.015 10.874 1.00 0.00 C ATOM 387 CE1 HIS A 27 0.474 0.100 12.537 1.00 0.00 C ATOM 388 NE2 HIS A 27 1.130 1.183 12.165 1.00 0.00 N ATOM 0 H HIS A 27 1.433 -1.695 6.685 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.241 0.172 8.230 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.899 -1.912 9.232 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.419 -1.072 8.995 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.044 -1.680 11.543 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.138 1.727 10.293 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.012 -0.058 13.500 1.00 0.00 H new ATOM 396 N ILE A 28 1.199 2.201 8.076 1.00 0.00 N ATOM 397 CA ILE A 28 1.936 3.431 7.813 1.00 0.00 C ATOM 398 C ILE A 28 1.861 4.382 9.002 1.00 0.00 C ATOM 399 O ILE A 28 0.798 4.914 9.320 1.00 0.00 O ATOM 400 CB ILE A 28 1.400 4.150 6.561 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.892 3.132 5.539 1.00 0.00 C ATOM 402 CG2 ILE A 28 2.482 5.027 5.950 1.00 0.00 C ATOM 403 CD1 ILE A 28 0.419 3.759 4.246 1.00 0.00 C ATOM 0 H ILE A 28 0.351 2.327 8.629 1.00 0.00 H new ATOM 0 HA ILE A 28 2.975 3.147 7.643 1.00 0.00 H new ATOM 0 HB ILE A 28 0.566 4.787 6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.689 2.422 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.072 2.565 5.980 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.088 5.528 5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.800 5.773 6.678 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.334 4.409 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.073 2.978 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.399 4.448 4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.242 4.303 3.783 1.00 0.00 H new ATOM 415 N ARG A 29 2.999 4.593 9.657 1.00 0.00 N ATOM 416 CA ARG A 29 3.063 5.480 10.812 1.00 0.00 C ATOM 417 C ARG A 29 3.766 6.786 10.456 1.00 0.00 C ATOM 418 O ARG A 29 4.989 6.892 10.562 1.00 0.00 O ATOM 419 CB ARG A 29 3.792 4.795 11.968 1.00 0.00 C ATOM 420 CG ARG A 29 3.329 3.369 12.222 1.00 0.00 C ATOM 421 CD ARG A 29 4.097 2.729 13.368 1.00 0.00 C ATOM 422 NE ARG A 29 3.732 1.327 13.557 1.00 0.00 N ATOM 423 CZ ARG A 29 4.101 0.354 12.730 1.00 0.00 C ATOM 424 NH1 ARG A 29 4.841 0.629 11.665 1.00 0.00 N ATOM 425 NH2 ARG A 29 3.727 -0.897 12.969 1.00 0.00 N ATOM 0 H ARG A 29 3.889 4.161 9.407 1.00 0.00 H new ATOM 0 HA ARG A 29 2.043 5.709 11.120 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.862 4.789 11.759 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.648 5.382 12.875 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.263 3.367 12.451 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.462 2.776 11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.167 2.802 13.173 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.903 3.281 14.287 1.00 0.00 H new ATOM 0 HE ARG A 29 3.163 1.082 14.367 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.129 1.590 11.478 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.122 -0.120 11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.157 -1.111 13.787 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.010 -1.644 12.335 1.00 0.00 H new ATOM 439 N ILE A 30 2.987 7.774 10.032 1.00 0.00 N ATOM 440 CA ILE A 30 3.536 9.073 9.660 1.00 0.00 C ATOM 441 C ILE A 30 3.676 9.979 10.878 1.00 0.00 C ATOM 442 O ILE A 30 2.763 10.079 11.698 1.00 0.00 O ATOM 443 CB ILE A 30 2.657 9.777 8.610 1.00 0.00 C ATOM 444 CG1 ILE A 30 3.335 11.057 8.118 1.00 0.00 C ATOM 445 CG2 ILE A 30 1.284 10.087 9.189 1.00 0.00 C ATOM 446 CD1 ILE A 30 3.260 11.244 6.619 1.00 0.00 C ATOM 0 H ILE A 30 1.974 7.701 9.937 1.00 0.00 H new ATOM 0 HA ILE A 30 4.521 8.888 9.232 1.00 0.00 H new ATOM 0 HB ILE A 30 2.528 9.107 7.760 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.872 11.914 8.606 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.382 11.044 8.422 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.675 10.585 8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.799 9.159 9.493 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.393 10.740 10.055 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.761 12.172 6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.749 10.406 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.216 11.290 6.310 1.00 0.00 H new ATOM 458 N GLN A 31 4.824 10.640 10.990 1.00 0.00 N ATOM 459 CA GLN A 31 5.083 11.540 12.106 1.00 0.00 C ATOM 460 C GLN A 31 5.959 12.711 11.672 1.00 0.00 C ATOM 461 O GLN A 31 7.185 12.645 11.757 1.00 0.00 O ATOM 462 CB GLN A 31 5.755 10.782 13.253 1.00 0.00 C ATOM 463 CG GLN A 31 6.944 9.943 12.813 1.00 0.00 C ATOM 464 CD GLN A 31 6.624 8.462 12.759 1.00 0.00 C ATOM 465 OE1 GLN A 31 5.796 7.966 13.523 1.00 0.00 O ATOM 466 NE2 GLN A 31 7.278 7.747 11.852 1.00 0.00 N ATOM 0 H GLN A 31 5.590 10.568 10.320 1.00 0.00 H new ATOM 0 HA GLN A 31 4.127 11.935 12.450 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.085 11.497 14.006 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.020 10.134 13.729 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.275 10.276 11.829 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.774 10.107 13.500 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.956 8.199 11.239 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.102 6.746 11.768 1.00 0.00 H new ATOM 475 N GLN A 32 5.321 13.780 11.207 1.00 0.00 N ATOM 476 CA GLN A 32 6.044 14.964 10.758 1.00 0.00 C ATOM 477 C GLN A 32 6.679 15.693 11.937 1.00 0.00 C ATOM 478 O GLN A 32 6.227 15.565 13.075 1.00 0.00 O ATOM 479 CB GLN A 32 5.101 15.908 10.008 1.00 0.00 C ATOM 480 CG GLN A 32 4.901 15.534 8.548 1.00 0.00 C ATOM 481 CD GLN A 32 3.469 15.727 8.087 1.00 0.00 C ATOM 482 OE1 GLN A 32 2.637 14.828 8.218 1.00 0.00 O ATOM 483 NE2 GLN A 32 3.176 16.902 7.543 1.00 0.00 N ATOM 0 H GLN A 32 4.306 13.851 11.131 1.00 0.00 H new ATOM 0 HA GLN A 32 6.837 14.641 10.084 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.133 15.915 10.509 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.496 16.923 10.064 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.563 16.139 7.928 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.189 14.493 8.401 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.898 17.617 7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.229 17.089 7.213 1.00 0.00 H new ATOM 492 N ARG A 33 7.728 16.459 11.657 1.00 0.00 N ATOM 493 CA ARG A 33 8.428 17.207 12.694 1.00 0.00 C ATOM 494 C ARG A 33 8.341 18.708 12.435 1.00 0.00 C ATOM 495 O ARG A 33 8.059 19.139 11.317 1.00 0.00 O ATOM 496 CB ARG A 33 9.893 16.775 12.765 1.00 0.00 C ATOM 497 CG ARG A 33 10.228 15.953 14.000 1.00 0.00 C ATOM 498 CD ARG A 33 11.199 16.688 14.911 1.00 0.00 C ATOM 499 NE ARG A 33 11.101 16.232 16.296 1.00 0.00 N ATOM 500 CZ ARG A 33 11.513 15.038 16.708 1.00 0.00 C ATOM 501 NH1 ARG A 33 12.050 14.185 15.847 1.00 0.00 N ATOM 502 NH2 ARG A 33 11.390 14.697 17.984 1.00 0.00 N ATOM 0 H ARG A 33 8.112 16.578 10.720 1.00 0.00 H new ATOM 0 HA ARG A 33 7.947 16.992 13.648 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.135 16.193 11.875 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.526 17.662 12.747 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.313 15.728 14.548 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.662 15.000 13.698 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.217 16.539 14.551 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.999 17.758 14.867 1.00 0.00 H new ATOM 0 HE ARG A 33 10.694 16.865 16.984 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.148 14.445 14.865 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.365 13.269 16.166 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.979 15.352 18.649 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.706 13.780 18.300 1.00 0.00 H new ATOM 516 N ASN A 34 8.584 19.498 13.474 1.00 0.00 N ATOM 517 CA ASN A 34 8.532 20.951 13.359 1.00 0.00 C ATOM 518 C ASN A 34 9.720 21.476 12.555 1.00 0.00 C ATOM 519 O ASN A 34 10.731 21.887 13.122 1.00 0.00 O ATOM 520 CB ASN A 34 8.518 21.594 14.748 1.00 0.00 C ATOM 521 CG ASN A 34 7.116 21.946 15.207 1.00 0.00 C ATOM 522 OD1 ASN A 34 6.601 21.370 16.166 1.00 0.00 O ATOM 523 ND2 ASN A 34 6.490 22.898 14.521 1.00 0.00 N ATOM 0 H ASN A 34 8.819 19.157 14.406 1.00 0.00 H new ATOM 0 HA ASN A 34 7.614 21.216 12.834 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.972 20.911 15.466 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.130 22.496 14.734 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.545 23.178 14.783 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.955 23.349 13.733 1.00 0.00 H new ATOM 530 N GLY A 35 9.586 21.458 11.233 1.00 0.00 N ATOM 531 CA GLY A 35 10.652 21.936 10.374 1.00 0.00 C ATOM 532 C GLY A 35 10.411 21.611 8.913 1.00 0.00 C ATOM 533 O GLY A 35 9.353 21.925 8.368 1.00 0.00 O ATOM 0 H GLY A 35 8.758 21.121 10.742 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.752 23.015 10.491 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.596 21.492 10.691 1.00 0.00 H new ATOM 537 N ARG A 36 11.393 20.980 8.278 1.00 0.00 N ATOM 538 CA ARG A 36 11.283 20.615 6.870 1.00 0.00 C ATOM 539 C ARG A 36 11.380 19.103 6.692 1.00 0.00 C ATOM 540 O ARG A 36 10.606 18.504 5.945 1.00 0.00 O ATOM 541 CB ARG A 36 12.376 21.308 6.054 1.00 0.00 C ATOM 542 CG ARG A 36 11.927 21.726 4.664 1.00 0.00 C ATOM 543 CD ARG A 36 13.074 22.323 3.864 1.00 0.00 C ATOM 544 NE ARG A 36 13.323 23.716 4.220 1.00 0.00 N ATOM 545 CZ ARG A 36 14.440 24.365 3.913 1.00 0.00 C ATOM 546 NH1 ARG A 36 15.407 23.748 3.248 1.00 0.00 N ATOM 547 NH2 ARG A 36 14.593 25.634 4.272 1.00 0.00 N ATOM 0 H ARG A 36 12.274 20.711 8.716 1.00 0.00 H new ATOM 0 HA ARG A 36 10.308 20.944 6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.718 22.189 6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.231 20.637 5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.524 20.862 4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.120 22.455 4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.978 21.738 4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.847 22.256 2.800 1.00 0.00 H new ATOM 0 HE ARG A 36 12.599 24.219 4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.294 22.773 2.971 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.264 24.249 3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.852 26.112 4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.452 26.131 4.035 1.00 0.00 H new ATOM 561 N LYS A 37 12.337 18.491 7.383 1.00 0.00 N ATOM 562 CA LYS A 37 12.536 17.050 7.301 1.00 0.00 C ATOM 563 C LYS A 37 11.297 16.301 7.780 1.00 0.00 C ATOM 564 O LYS A 37 10.526 16.811 8.593 1.00 0.00 O ATOM 565 CB LYS A 37 13.749 16.634 8.137 1.00 0.00 C ATOM 566 CG LYS A 37 15.061 16.685 7.371 1.00 0.00 C ATOM 567 CD LYS A 37 15.738 18.038 7.516 1.00 0.00 C ATOM 568 CE LYS A 37 17.253 17.905 7.518 1.00 0.00 C ATOM 569 NZ LYS A 37 17.800 17.766 6.139 1.00 0.00 N ATOM 0 H LYS A 37 12.986 18.972 8.006 1.00 0.00 H new ATOM 0 HA LYS A 37 12.714 16.792 6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.821 17.286 9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.594 15.621 8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.727 15.903 7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.876 16.481 6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.430 18.690 6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.412 18.512 8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.694 18.779 7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.541 17.037 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.835 17.678 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.399 16.918 5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.548 18.605 5.579 1.00 0.00 H new ATOM 583 N THR A 38 11.110 15.088 7.271 1.00 0.00 N ATOM 584 CA THR A 38 9.964 14.268 7.647 1.00 0.00 C ATOM 585 C THR A 38 10.374 12.818 7.869 1.00 0.00 C ATOM 586 O THR A 38 11.413 12.373 7.377 1.00 0.00 O ATOM 587 CB THR A 38 8.861 14.319 6.574 1.00 0.00 C ATOM 588 OG1 THR A 38 9.447 14.449 5.274 1.00 0.00 O ATOM 589 CG2 THR A 38 7.913 15.483 6.826 1.00 0.00 C ATOM 0 H THR A 38 11.738 14.651 6.596 1.00 0.00 H new ATOM 0 HA THR A 38 9.574 14.679 8.578 1.00 0.00 H new ATOM 0 HB THR A 38 8.293 13.390 6.625 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.448 13.577 4.827 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.143 15.498 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.446 15.367 7.804 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.471 16.419 6.800 1.00 0.00 H new ATOM 597 N LEU A 39 9.552 12.083 8.611 1.00 0.00 N ATOM 598 CA LEU A 39 9.831 10.680 8.898 1.00 0.00 C ATOM 599 C LEU A 39 8.545 9.858 8.897 1.00 0.00 C ATOM 600 O LEU A 39 7.544 10.251 9.497 1.00 0.00 O ATOM 601 CB LEU A 39 10.534 10.544 10.250 1.00 0.00 C ATOM 602 CG LEU A 39 11.789 11.395 10.442 1.00 0.00 C ATOM 603 CD1 LEU A 39 11.438 12.729 11.083 1.00 0.00 C ATOM 604 CD2 LEU A 39 12.815 10.651 11.284 1.00 0.00 C ATOM 0 H LEU A 39 8.688 12.435 9.024 1.00 0.00 H new ATOM 0 HA LEU A 39 10.486 10.299 8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.822 10.800 11.035 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.803 9.498 10.393 1.00 0.00 H new ATOM 0 HG LEU A 39 12.225 11.590 9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.344 13.321 11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.741 13.268 10.442 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.977 12.555 12.055 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.702 11.272 11.410 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.389 10.425 12.261 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.091 9.722 10.785 1.00 0.00 H new ATOM 616 N THR A 40 8.580 8.714 8.218 1.00 0.00 N ATOM 617 CA THR A 40 7.418 7.839 8.139 1.00 0.00 C ATOM 618 C THR A 40 7.838 6.381 7.993 1.00 0.00 C ATOM 619 O THR A 40 8.704 6.050 7.180 1.00 0.00 O ATOM 620 CB THR A 40 6.507 8.218 6.958 1.00 0.00 C ATOM 621 OG1 THR A 40 6.036 9.563 7.113 1.00 0.00 O ATOM 622 CG2 THR A 40 5.321 7.270 6.861 1.00 0.00 C ATOM 0 H THR A 40 9.400 8.373 7.716 1.00 0.00 H new ATOM 0 HA THR A 40 6.864 7.965 9.069 1.00 0.00 H new ATOM 0 HB THR A 40 7.090 8.140 6.041 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.889 9.962 6.230 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.692 7.559 6.019 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.680 6.252 6.713 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.739 7.319 7.782 1.00 0.00 H new ATOM 630 N THR A 41 7.222 5.509 8.785 1.00 0.00 N ATOM 631 CA THR A 41 7.532 4.086 8.744 1.00 0.00 C ATOM 632 C THR A 41 6.448 3.307 8.010 1.00 0.00 C ATOM 633 O THR A 41 5.325 3.788 7.848 1.00 0.00 O ATOM 634 CB THR A 41 7.695 3.505 10.162 1.00 0.00 C ATOM 635 OG1 THR A 41 6.415 3.387 10.793 1.00 0.00 O ATOM 636 CG2 THR A 41 8.605 4.386 11.006 1.00 0.00 C ATOM 0 H THR A 41 6.504 5.764 9.463 1.00 0.00 H new ATOM 0 HA THR A 41 8.475 3.984 8.207 1.00 0.00 H new ATOM 0 HB THR A 41 8.149 2.518 10.077 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.520 3.473 11.764 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.705 3.956 12.003 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.587 4.449 10.537 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.175 5.385 11.083 1.00 0.00 H new ATOM 644 N VAL A 42 6.787 2.100 7.568 1.00 0.00 N ATOM 645 CA VAL A 42 5.841 1.254 6.853 1.00 0.00 C ATOM 646 C VAL A 42 6.061 -0.218 7.183 1.00 0.00 C ATOM 647 O VAL A 42 7.178 -0.635 7.490 1.00 0.00 O ATOM 648 CB VAL A 42 5.954 1.448 5.329 1.00 0.00 C ATOM 649 CG1 VAL A 42 4.829 0.716 4.611 1.00 0.00 C ATOM 650 CG2 VAL A 42 5.946 2.929 4.979 1.00 0.00 C ATOM 0 H VAL A 42 7.711 1.687 7.693 1.00 0.00 H new ATOM 0 HA VAL A 42 4.844 1.552 7.177 1.00 0.00 H new ATOM 0 HB VAL A 42 6.901 1.024 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.926 0.865 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.886 -0.349 4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.868 1.107 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.027 3.048 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.016 3.380 5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.790 3.422 5.462 1.00 0.00 H new ATOM 660 N GLN A 43 4.988 -1.001 7.118 1.00 0.00 N ATOM 661 CA GLN A 43 5.065 -2.427 7.411 1.00 0.00 C ATOM 662 C GLN A 43 4.113 -3.218 6.520 1.00 0.00 C ATOM 663 O GLN A 43 3.217 -2.652 5.896 1.00 0.00 O ATOM 664 CB GLN A 43 4.737 -2.686 8.884 1.00 0.00 C ATOM 665 CG GLN A 43 5.179 -4.054 9.374 1.00 0.00 C ATOM 666 CD GLN A 43 4.040 -5.053 9.421 1.00 0.00 C ATOM 667 OE1 GLN A 43 2.901 -4.699 9.727 1.00 0.00 O ATOM 668 NE2 GLN A 43 4.341 -6.311 9.118 1.00 0.00 N ATOM 0 H GLN A 43 4.056 -0.672 6.865 1.00 0.00 H new ATOM 0 HA GLN A 43 6.083 -2.759 7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.214 -1.919 9.494 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.662 -2.587 9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.964 -4.434 8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.613 -3.957 10.369 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.298 -6.561 8.870 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.615 -7.027 9.133 1.00 0.00 H new ATOM 677 N GLY A 44 4.314 -4.531 6.466 1.00 0.00 N ATOM 678 CA GLY A 44 3.467 -5.379 5.648 1.00 0.00 C ATOM 679 C GLY A 44 4.154 -5.832 4.375 1.00 0.00 C ATOM 680 O GLY A 44 3.521 -6.405 3.489 1.00 0.00 O ATOM 0 H GLY A 44 5.049 -5.023 6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.167 -6.253 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.556 -4.838 5.392 1.00 0.00 H new ATOM 684 N VAL A 45 5.455 -5.572 4.282 1.00 0.00 N ATOM 685 CA VAL A 45 6.229 -5.957 3.108 1.00 0.00 C ATOM 686 C VAL A 45 6.221 -7.469 2.917 1.00 0.00 C ATOM 687 O VAL A 45 6.435 -8.239 3.852 1.00 0.00 O ATOM 688 CB VAL A 45 7.687 -5.470 3.215 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.469 -5.853 1.968 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.732 -3.966 3.443 1.00 0.00 C ATOM 0 H VAL A 45 5.994 -5.097 5.006 1.00 0.00 H new ATOM 0 HA VAL A 45 5.758 -5.483 2.247 1.00 0.00 H new ATOM 0 HB VAL A 45 8.153 -5.957 4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.497 -5.501 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.465 -6.937 1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.006 -5.395 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.770 -3.640 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.250 -3.457 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.209 -3.722 4.368 1.00 0.00 H new ATOM 700 N PRO A 46 5.971 -7.905 1.673 1.00 0.00 N ATOM 701 CA PRO A 46 5.931 -9.329 1.327 1.00 0.00 C ATOM 702 C PRO A 46 7.308 -9.978 1.383 1.00 0.00 C ATOM 703 O PRO A 46 8.281 -9.355 1.807 1.00 0.00 O ATOM 704 CB PRO A 46 5.396 -9.331 -0.108 1.00 0.00 C ATOM 705 CG PRO A 46 5.771 -7.995 -0.653 1.00 0.00 C ATOM 706 CD PRO A 46 5.709 -7.042 0.509 1.00 0.00 C ATOM 0 HA PRO A 46 5.319 -9.901 2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.838 -10.136 -0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.316 -9.478 -0.128 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.771 -8.017 -1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.087 -7.690 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.453 -6.251 0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.735 -6.557 0.579 1.00 0.00 H new ATOM 714 N GLU A 47 7.386 -11.233 0.950 1.00 0.00 N ATOM 715 CA GLU A 47 8.646 -11.966 0.953 1.00 0.00 C ATOM 716 C GLU A 47 9.431 -11.701 -0.328 1.00 0.00 C ATOM 717 O GLU A 47 10.661 -11.737 -0.333 1.00 0.00 O ATOM 718 CB GLU A 47 8.389 -13.467 1.104 1.00 0.00 C ATOM 719 CG GLU A 47 9.501 -14.204 1.832 1.00 0.00 C ATOM 720 CD GLU A 47 9.365 -14.123 3.339 1.00 0.00 C ATOM 721 OE1 GLU A 47 9.488 -13.009 3.888 1.00 0.00 O ATOM 722 OE2 GLU A 47 9.135 -15.176 3.971 1.00 0.00 O ATOM 0 H GLU A 47 6.591 -11.763 0.593 1.00 0.00 H new ATOM 0 HA GLU A 47 9.237 -11.619 1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.453 -13.615 1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.260 -13.906 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.499 -15.250 1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.463 -13.787 1.535 1.00 0.00 H new ATOM 729 N GLU A 48 8.710 -11.434 -1.414 1.00 0.00 N ATOM 730 CA GLU A 48 9.340 -11.163 -2.700 1.00 0.00 C ATOM 731 C GLU A 48 9.990 -9.782 -2.709 1.00 0.00 C ATOM 732 O GLU A 48 10.665 -9.408 -3.668 1.00 0.00 O ATOM 733 CB GLU A 48 8.310 -11.262 -3.828 1.00 0.00 C ATOM 734 CG GLU A 48 8.688 -12.256 -4.912 1.00 0.00 C ATOM 735 CD GLU A 48 7.503 -12.669 -5.764 1.00 0.00 C ATOM 736 OE1 GLU A 48 6.354 -12.502 -5.302 1.00 0.00 O ATOM 737 OE2 GLU A 48 7.724 -13.158 -6.892 1.00 0.00 O ATOM 0 H GLU A 48 7.691 -11.400 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 48 10.117 -11.911 -2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.347 -11.548 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.181 -10.278 -4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.455 -11.817 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.126 -13.142 -4.451 1.00 0.00 H new ATOM 744 N TYR A 49 9.780 -9.029 -1.636 1.00 0.00 N ATOM 745 CA TYR A 49 10.341 -7.689 -1.520 1.00 0.00 C ATOM 746 C TYR A 49 11.165 -7.552 -0.242 1.00 0.00 C ATOM 747 O TYR A 49 10.617 -7.425 0.852 1.00 0.00 O ATOM 748 CB TYR A 49 9.225 -6.643 -1.535 1.00 0.00 C ATOM 749 CG TYR A 49 9.545 -5.429 -2.379 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.844 -4.945 -2.469 1.00 0.00 C ATOM 751 CD2 TYR A 49 8.548 -4.767 -3.084 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.141 -3.837 -3.239 1.00 0.00 C ATOM 753 CE2 TYR A 49 8.836 -3.658 -3.857 1.00 0.00 C ATOM 754 CZ TYR A 49 10.134 -3.197 -3.931 1.00 0.00 C ATOM 755 OH TYR A 49 10.424 -2.093 -4.699 1.00 0.00 O ATOM 0 H TYR A 49 9.225 -9.324 -0.833 1.00 0.00 H new ATOM 0 HA TYR A 49 10.998 -7.522 -2.374 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.311 -7.104 -1.909 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.025 -6.322 -0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.635 -5.443 -1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.531 -5.125 -3.027 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.156 -3.474 -3.299 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.049 -3.155 -4.400 1.00 0.00 H new ATOM 0 HH TYR A 49 9.603 -1.763 -5.121 1.00 0.00 H new ATOM 765 N ASP A 50 12.485 -7.577 -0.391 1.00 0.00 N ATOM 766 CA ASP A 50 13.385 -7.454 0.748 1.00 0.00 C ATOM 767 C ASP A 50 13.685 -5.988 1.048 1.00 0.00 C ATOM 768 O ASP A 50 13.347 -5.101 0.263 1.00 0.00 O ATOM 769 CB ASP A 50 14.688 -8.208 0.479 1.00 0.00 C ATOM 770 CG ASP A 50 15.104 -9.080 1.649 1.00 0.00 C ATOM 771 OD1 ASP A 50 14.223 -9.736 2.243 1.00 0.00 O ATOM 772 OD2 ASP A 50 16.311 -9.105 1.970 1.00 0.00 O ATOM 0 H ASP A 50 12.955 -7.681 -1.290 1.00 0.00 H new ATOM 0 HA ASP A 50 12.893 -7.891 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.569 -8.829 -0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.481 -7.492 0.263 1.00 0.00 H new ATOM 777 N LEU A 51 14.319 -5.741 2.189 1.00 0.00 N ATOM 778 CA LEU A 51 14.663 -4.383 2.594 1.00 0.00 C ATOM 779 C LEU A 51 15.733 -3.796 1.679 1.00 0.00 C ATOM 780 O LEU A 51 15.856 -2.578 1.550 1.00 0.00 O ATOM 781 CB LEU A 51 15.152 -4.370 4.043 1.00 0.00 C ATOM 782 CG LEU A 51 14.076 -4.192 5.114 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.336 -2.879 4.916 1.00 0.00 C ATOM 784 CD2 LEU A 51 13.103 -5.363 5.092 1.00 0.00 C ATOM 0 H LEU A 51 14.605 -6.463 2.850 1.00 0.00 H new ATOM 0 HA LEU A 51 13.766 -3.769 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.677 -5.305 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.881 -3.567 4.152 1.00 0.00 H new ATOM 0 HG LEU A 51 14.563 -4.167 6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.574 -2.771 5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.041 -2.050 4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.861 -2.873 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.344 -5.220 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.624 -5.419 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.644 -6.289 5.285 1.00 0.00 H new ATOM 796 N LYS A 52 16.504 -4.671 1.042 1.00 0.00 N ATOM 797 CA LYS A 52 17.562 -4.241 0.136 1.00 0.00 C ATOM 798 C LYS A 52 16.979 -3.759 -1.190 1.00 0.00 C ATOM 799 O LYS A 52 17.509 -2.837 -1.812 1.00 0.00 O ATOM 800 CB LYS A 52 18.544 -5.388 -0.116 1.00 0.00 C ATOM 801 CG LYS A 52 19.800 -4.962 -0.855 1.00 0.00 C ATOM 802 CD LYS A 52 20.088 -5.875 -2.037 1.00 0.00 C ATOM 803 CE LYS A 52 21.581 -5.986 -2.303 1.00 0.00 C ATOM 804 NZ LYS A 52 22.166 -7.205 -1.678 1.00 0.00 N ATOM 0 H LYS A 52 16.416 -5.683 1.137 1.00 0.00 H new ATOM 0 HA LYS A 52 18.092 -3.412 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.827 -5.829 0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.041 -6.166 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.687 -3.936 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.648 -4.973 -0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.677 -6.866 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.586 -5.491 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.758 -6.009 -3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.086 -5.101 -1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.185 -7.245 -1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.020 -7.172 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.702 -8.051 -2.066 1.00 0.00 H new ATOM 818 N ARG A 53 15.887 -4.385 -1.615 1.00 0.00 N ATOM 819 CA ARG A 53 15.234 -4.018 -2.866 1.00 0.00 C ATOM 820 C ARG A 53 14.446 -2.721 -2.707 1.00 0.00 C ATOM 821 O ARG A 53 14.340 -1.930 -3.644 1.00 0.00 O ATOM 822 CB ARG A 53 14.301 -5.139 -3.326 1.00 0.00 C ATOM 823 CG ARG A 53 13.755 -4.940 -4.731 1.00 0.00 C ATOM 824 CD ARG A 53 14.716 -5.471 -5.782 1.00 0.00 C ATOM 825 NE ARG A 53 14.682 -6.929 -5.867 1.00 0.00 N ATOM 826 CZ ARG A 53 15.395 -7.631 -6.742 1.00 0.00 C ATOM 827 NH1 ARG A 53 16.192 -7.013 -7.601 1.00 0.00 N ATOM 828 NH2 ARG A 53 15.310 -8.955 -6.757 1.00 0.00 N ATOM 0 H ARG A 53 15.436 -5.149 -1.112 1.00 0.00 H new ATOM 0 HA ARG A 53 16.007 -3.865 -3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.838 -6.087 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.467 -5.215 -2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.795 -5.447 -4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.573 -3.879 -4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.463 -5.045 -6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.729 -5.145 -5.545 1.00 0.00 H new ATOM 0 HE ARG A 53 14.078 -7.436 -5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.260 -5.995 -7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.738 -7.555 -8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.697 -9.434 -6.097 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.857 -9.494 -7.429 1.00 0.00 H new ATOM 842 N ILE A 54 13.897 -2.510 -1.516 1.00 0.00 N ATOM 843 CA ILE A 54 13.120 -1.309 -1.235 1.00 0.00 C ATOM 844 C ILE A 54 14.031 -0.113 -0.974 1.00 0.00 C ATOM 845 O ILE A 54 13.674 1.029 -1.267 1.00 0.00 O ATOM 846 CB ILE A 54 12.194 -1.508 -0.020 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.241 -2.680 -0.265 1.00 0.00 C ATOM 848 CG2 ILE A 54 11.413 -0.234 0.265 1.00 0.00 C ATOM 849 CD1 ILE A 54 10.361 -3.002 0.921 1.00 0.00 C ATOM 0 H ILE A 54 13.976 -3.155 -0.730 1.00 0.00 H new ATOM 0 HA ILE A 54 12.511 -1.114 -2.118 1.00 0.00 H new ATOM 0 HB ILE A 54 12.807 -1.738 0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.610 -2.451 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.824 -3.564 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.763 -0.390 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.108 0.579 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.808 0.024 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.712 -3.843 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.984 -3.263 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.751 -2.133 1.168 1.00 0.00 H new ATOM 861 N LEU A 55 15.209 -0.384 -0.423 1.00 0.00 N ATOM 862 CA LEU A 55 16.174 0.669 -0.125 1.00 0.00 C ATOM 863 C LEU A 55 16.943 1.075 -1.378 1.00 0.00 C ATOM 864 O LEU A 55 17.390 2.216 -1.503 1.00 0.00 O ATOM 865 CB LEU A 55 17.149 0.203 0.957 1.00 0.00 C ATOM 866 CG LEU A 55 18.458 0.986 1.064 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.182 2.445 1.390 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.368 0.365 2.114 1.00 0.00 C ATOM 0 H LEU A 55 15.519 -1.323 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 55 15.625 1.538 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.641 0.250 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.389 -0.844 0.774 1.00 0.00 H new ATOM 0 HG LEU A 55 18.966 0.940 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.125 2.986 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.571 2.885 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.652 2.512 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.295 0.936 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.868 0.378 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.594 -0.665 1.837 1.00 0.00 H new ATOM 880 N LYS A 56 17.090 0.135 -2.305 1.00 0.00 N ATOM 881 CA LYS A 56 17.802 0.395 -3.552 1.00 0.00 C ATOM 882 C LYS A 56 16.901 1.112 -4.553 1.00 0.00 C ATOM 883 O LYS A 56 17.355 1.977 -5.303 1.00 0.00 O ATOM 884 CB LYS A 56 18.310 -0.916 -4.155 1.00 0.00 C ATOM 885 CG LYS A 56 19.438 -0.728 -5.154 1.00 0.00 C ATOM 886 CD LYS A 56 20.145 -2.040 -5.450 1.00 0.00 C ATOM 887 CE LYS A 56 20.699 -2.067 -6.868 1.00 0.00 C ATOM 888 NZ LYS A 56 22.157 -2.367 -6.887 1.00 0.00 N ATOM 0 H LYS A 56 16.726 -0.814 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 56 18.653 1.039 -3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 56 18.653 -1.567 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.481 -1.425 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.040 -0.311 -6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.156 -0.007 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.957 -2.186 -4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 56 19.450 -2.868 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.166 -2.817 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 56 20.520 -1.104 -7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 22.497 -2.377 -7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.669 -1.637 -6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.326 -3.297 -6.453 1.00 0.00 H new ATOM 902 N VAL A 57 15.622 0.750 -4.556 1.00 0.00 N ATOM 903 CA VAL A 57 14.658 1.362 -5.463 1.00 0.00 C ATOM 904 C VAL A 57 14.279 2.763 -4.999 1.00 0.00 C ATOM 905 O VAL A 57 14.173 3.689 -5.805 1.00 0.00 O ATOM 906 CB VAL A 57 13.381 0.508 -5.582 1.00 0.00 C ATOM 907 CG1 VAL A 57 12.314 1.251 -6.373 1.00 0.00 C ATOM 908 CG2 VAL A 57 13.694 -0.835 -6.223 1.00 0.00 C ATOM 0 H VAL A 57 15.230 0.037 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 57 15.137 1.425 -6.440 1.00 0.00 H new ATOM 0 HB VAL A 57 12.994 0.323 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.419 0.633 -6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.069 2.184 -5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.688 1.469 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.780 -1.424 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.106 -0.675 -7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.421 -1.370 -5.611 1.00 0.00 H new ATOM 918 N LEU A 58 14.074 2.914 -3.695 1.00 0.00 N ATOM 919 CA LEU A 58 13.708 4.204 -3.122 1.00 0.00 C ATOM 920 C LEU A 58 14.878 5.181 -3.187 1.00 0.00 C ATOM 921 O LEU A 58 14.702 6.354 -3.518 1.00 0.00 O ATOM 922 CB LEU A 58 13.254 4.029 -1.672 1.00 0.00 C ATOM 923 CG LEU A 58 11.795 3.620 -1.471 1.00 0.00 C ATOM 924 CD1 LEU A 58 10.893 4.843 -1.459 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.360 2.644 -2.553 1.00 0.00 C ATOM 0 H LEU A 58 14.155 2.158 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 58 12.885 4.614 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.889 3.278 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.424 4.967 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 58 11.708 3.122 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.859 4.531 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.189 5.505 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.984 5.371 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.319 2.364 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.463 3.115 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.986 1.752 -2.512 1.00 0.00 H new ATOM 937 N LYS A 59 16.071 4.689 -2.871 1.00 0.00 N ATOM 938 CA LYS A 59 17.271 5.516 -2.897 1.00 0.00 C ATOM 939 C LYS A 59 17.638 5.900 -4.327 1.00 0.00 C ATOM 940 O LYS A 59 18.132 6.999 -4.580 1.00 0.00 O ATOM 941 CB LYS A 59 18.439 4.777 -2.240 1.00 0.00 C ATOM 942 CG LYS A 59 19.734 5.572 -2.230 1.00 0.00 C ATOM 943 CD LYS A 59 20.329 5.649 -0.835 1.00 0.00 C ATOM 944 CE LYS A 59 21.734 6.233 -0.859 1.00 0.00 C ATOM 945 NZ LYS A 59 22.243 6.512 0.512 1.00 0.00 N ATOM 0 H LYS A 59 16.232 3.721 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 59 17.065 6.428 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.168 4.526 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 59 18.604 3.836 -2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 59 20.451 5.109 -2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 59 19.547 6.579 -2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.690 6.262 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.356 4.652 -0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 59 22.407 5.539 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 59 21.734 7.155 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 23.202 6.909 0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 21.615 7.194 0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 22.267 5.628 1.060 1.00 0.00 H new ATOM 959 N LYS A 60 17.392 4.986 -5.261 1.00 0.00 N ATOM 960 CA LYS A 60 17.693 5.229 -6.666 1.00 0.00 C ATOM 961 C LYS A 60 16.586 6.043 -7.328 1.00 0.00 C ATOM 962 O LYS A 60 16.826 6.760 -8.299 1.00 0.00 O ATOM 963 CB LYS A 60 17.874 3.901 -7.406 1.00 0.00 C ATOM 964 CG LYS A 60 18.474 4.055 -8.793 1.00 0.00 C ATOM 965 CD LYS A 60 19.852 3.421 -8.880 1.00 0.00 C ATOM 966 CE LYS A 60 20.144 2.914 -10.283 1.00 0.00 C ATOM 967 NZ LYS A 60 21.179 1.843 -10.283 1.00 0.00 N ATOM 0 H LYS A 60 16.985 4.071 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 60 18.620 5.799 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 60 18.514 3.248 -6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 60 16.906 3.407 -7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 60 17.814 3.595 -9.529 1.00 0.00 H new ATOM 0 HG3 LYS A 60 18.543 5.113 -9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 60 20.608 4.151 -8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 60 19.919 2.595 -8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 60 19.226 2.531 -10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 60 20.480 3.743 -10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 21.349 1.525 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 22.063 2.215 -9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.848 1.041 -9.710 1.00 0.00 H new ATOM 981 N ASP A 61 15.374 5.929 -6.794 1.00 0.00 N ATOM 982 CA ASP A 61 14.230 6.657 -7.332 1.00 0.00 C ATOM 983 C ASP A 61 14.359 8.152 -7.056 1.00 0.00 C ATOM 984 O ASP A 61 14.521 8.952 -7.979 1.00 0.00 O ATOM 985 CB ASP A 61 12.931 6.125 -6.727 1.00 0.00 C ATOM 986 CG ASP A 61 11.714 6.895 -7.201 1.00 0.00 C ATOM 987 OD1 ASP A 61 11.638 7.199 -8.410 1.00 0.00 O ATOM 988 OD2 ASP A 61 10.837 7.193 -6.363 1.00 0.00 O ATOM 0 H ASP A 61 15.159 5.340 -5.990 1.00 0.00 H new ATOM 0 HA ASP A 61 14.208 6.505 -8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.816 5.073 -6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.991 6.179 -5.640 1.00 0.00 H new ATOM 993 N PHE A 62 14.287 8.522 -5.782 1.00 0.00 N ATOM 994 CA PHE A 62 14.393 9.920 -5.386 1.00 0.00 C ATOM 995 C PHE A 62 15.214 10.063 -4.107 1.00 0.00 C ATOM 996 O PHE A 62 15.020 10.999 -3.333 1.00 0.00 O ATOM 997 CB PHE A 62 13.001 10.523 -5.181 1.00 0.00 C ATOM 998 CG PHE A 62 12.443 11.173 -6.413 1.00 0.00 C ATOM 999 CD1 PHE A 62 12.060 10.409 -7.504 1.00 0.00 C ATOM 1000 CD2 PHE A 62 12.299 12.549 -6.483 1.00 0.00 C ATOM 1001 CE1 PHE A 62 11.545 11.004 -8.639 1.00 0.00 C ATOM 1002 CE2 PHE A 62 11.786 13.152 -7.616 1.00 0.00 C ATOM 1003 CZ PHE A 62 11.407 12.379 -8.696 1.00 0.00 C ATOM 0 H PHE A 62 14.156 7.873 -5.006 1.00 0.00 H new ATOM 0 HA PHE A 62 14.901 10.459 -6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.319 9.739 -4.853 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.048 11.261 -4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.166 9.335 -7.466 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.592 13.159 -5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 62 11.250 10.396 -9.482 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.682 14.226 -7.657 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.004 12.847 -9.582 1.00 0.00 H new ATOM 1013 N ALA A 63 16.131 9.125 -3.893 1.00 0.00 N ATOM 1014 CA ALA A 63 16.982 9.145 -2.710 1.00 0.00 C ATOM 1015 C ALA A 63 16.150 9.098 -1.434 1.00 0.00 C ATOM 1016 O ALA A 63 16.198 10.018 -0.616 1.00 0.00 O ATOM 1017 CB ALA A 63 17.870 10.382 -2.718 1.00 0.00 C ATOM 0 H ALA A 63 16.303 8.342 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 63 17.614 8.257 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.500 10.383 -1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.499 10.373 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.247 11.277 -2.723 1.00 0.00 H new ATOM 1023 N CYS A 64 15.386 8.023 -1.269 1.00 0.00 N ATOM 1024 CA CYS A 64 14.541 7.859 -0.092 1.00 0.00 C ATOM 1025 C CYS A 64 15.120 6.807 0.850 1.00 0.00 C ATOM 1026 O CYS A 64 14.897 5.610 0.672 1.00 0.00 O ATOM 1027 CB CYS A 64 13.124 7.463 -0.508 1.00 0.00 C ATOM 1028 SG CYS A 64 11.958 8.845 -0.559 1.00 0.00 S ATOM 0 H CYS A 64 15.335 7.253 -1.936 1.00 0.00 H new ATOM 0 HA CYS A 64 14.504 8.812 0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.162 6.997 -1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.750 6.711 0.186 1.00 0.00 H new ATOM 0 HG CYS A 64 10.788 8.412 -0.923 1.00 0.00 H new ATOM 1034 N ASN A 65 15.867 7.262 1.850 1.00 0.00 N ATOM 1035 CA ASN A 65 16.480 6.361 2.819 1.00 0.00 C ATOM 1036 C ASN A 65 15.449 5.389 3.385 1.00 0.00 C ATOM 1037 O ASN A 65 14.451 5.800 3.975 1.00 0.00 O ATOM 1038 CB ASN A 65 17.122 7.160 3.955 1.00 0.00 C ATOM 1039 CG ASN A 65 17.935 8.335 3.448 1.00 0.00 C ATOM 1040 OD1 ASN A 65 17.508 9.485 3.538 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.115 8.049 2.908 1.00 0.00 N ATOM 0 H ASN A 65 16.063 8.250 2.011 1.00 0.00 H new ATOM 0 HA ASN A 65 17.252 5.787 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.343 7.523 4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 65 17.765 6.502 4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 65 19.706 8.798 2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 65 19.430 7.080 2.854 1.00 0.00 H new ATOM 1048 N GLY A 66 15.699 4.096 3.203 1.00 0.00 N ATOM 1049 CA GLY A 66 14.784 3.086 3.701 1.00 0.00 C ATOM 1050 C GLY A 66 15.473 2.070 4.592 1.00 0.00 C ATOM 1051 O GLY A 66 15.877 1.004 4.131 1.00 0.00 O ATOM 0 H GLY A 66 16.519 3.730 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.982 3.570 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.321 2.572 2.859 1.00 0.00 H new ATOM 1055 N ASN A 67 15.608 2.403 5.871 1.00 0.00 N ATOM 1056 CA ASN A 67 16.254 1.512 6.828 1.00 0.00 C ATOM 1057 C ASN A 67 15.237 0.570 7.468 1.00 0.00 C ATOM 1058 O ASN A 67 14.043 0.636 7.172 1.00 0.00 O ATOM 1059 CB ASN A 67 16.965 2.324 7.913 1.00 0.00 C ATOM 1060 CG ASN A 67 17.585 3.596 7.369 1.00 0.00 C ATOM 1061 OD1 ASN A 67 18.148 3.605 6.273 1.00 0.00 O ATOM 1062 ND2 ASN A 67 17.488 4.677 8.133 1.00 0.00 N ATOM 0 H ASN A 67 15.279 3.283 6.269 1.00 0.00 H new ATOM 0 HA ASN A 67 16.989 0.914 6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.253 2.577 8.699 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.742 1.712 8.371 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.889 5.561 7.819 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.013 4.624 9.034 1.00 0.00 H new ATOM 1069 N ILE A 68 15.719 -0.304 8.345 1.00 0.00 N ATOM 1070 CA ILE A 68 14.852 -1.258 9.026 1.00 0.00 C ATOM 1071 C ILE A 68 14.961 -1.116 10.540 1.00 0.00 C ATOM 1072 O ILE A 68 16.020 -0.774 11.068 1.00 0.00 O ATOM 1073 CB ILE A 68 15.191 -2.708 8.632 1.00 0.00 C ATOM 1074 CG1 ILE A 68 14.053 -3.648 9.034 1.00 0.00 C ATOM 1075 CG2 ILE A 68 16.498 -3.141 9.282 1.00 0.00 C ATOM 1076 CD1 ILE A 68 12.760 -3.380 8.298 1.00 0.00 C ATOM 0 H ILE A 68 16.704 -0.371 8.601 1.00 0.00 H new ATOM 0 HA ILE A 68 13.831 -1.035 8.715 1.00 0.00 H new ATOM 0 HB ILE A 68 15.312 -2.757 7.550 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.360 -4.677 8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.878 -3.555 10.106 1.00 0.00 H new ATOM 0 HG21 ILE A 68 16.725 -4.168 8.995 1.00 0.00 H new ATOM 0 HG22 ILE A 68 17.304 -2.485 8.951 1.00 0.00 H new ATOM 0 HG23 ILE A 68 16.403 -3.080 10.366 1.00 0.00 H new ATOM 0 HD11 ILE A 68 11.998 -4.084 8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.429 -2.362 8.503 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.919 -3.501 7.227 1.00 0.00 H new ATOM 1088 N VAL A 69 13.860 -1.381 11.235 1.00 0.00 N ATOM 1089 CA VAL A 69 13.832 -1.285 12.690 1.00 0.00 C ATOM 1090 C VAL A 69 13.052 -2.444 13.302 1.00 0.00 C ATOM 1091 O VAL A 69 12.366 -3.185 12.598 1.00 0.00 O ATOM 1092 CB VAL A 69 13.205 0.044 13.153 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.766 0.456 14.505 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.438 1.132 12.116 1.00 0.00 C ATOM 0 H VAL A 69 12.975 -1.664 10.814 1.00 0.00 H new ATOM 0 HA VAL A 69 14.867 -1.327 13.030 1.00 0.00 H new ATOM 0 HB VAL A 69 12.130 -0.099 13.261 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.312 1.397 14.816 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.543 -0.316 15.242 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.846 0.583 14.428 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.989 2.064 12.459 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.509 1.276 11.974 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.983 0.837 11.170 1.00 0.00 H new ATOM 1104 N LYS A 70 13.160 -2.593 14.617 1.00 0.00 N ATOM 1105 CA LYS A 70 12.465 -3.659 15.327 1.00 0.00 C ATOM 1106 C LYS A 70 11.645 -3.098 16.484 1.00 0.00 C ATOM 1107 O LYS A 70 12.198 -2.603 17.467 1.00 0.00 O ATOM 1108 CB LYS A 70 13.468 -4.690 15.852 1.00 0.00 C ATOM 1109 CG LYS A 70 12.819 -5.846 16.594 1.00 0.00 C ATOM 1110 CD LYS A 70 13.789 -6.501 17.564 1.00 0.00 C ATOM 1111 CE LYS A 70 13.057 -7.298 18.631 1.00 0.00 C ATOM 1112 NZ LYS A 70 13.761 -7.247 19.941 1.00 0.00 N ATOM 0 H LYS A 70 13.724 -1.988 15.214 1.00 0.00 H new ATOM 0 HA LYS A 70 11.787 -4.145 14.626 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.043 -5.084 15.014 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.173 -4.192 16.517 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.946 -5.486 17.138 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.464 -6.586 15.877 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.464 -7.159 17.016 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.404 -5.736 18.038 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.046 -6.907 18.747 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.963 -8.335 18.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.230 -7.803 20.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.717 -7.643 19.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.828 -6.260 20.261 1.00 0.00 H new ATOM 1126 N ASP A 71 10.324 -3.178 16.362 1.00 0.00 N ATOM 1127 CA ASP A 71 9.428 -2.681 17.399 1.00 0.00 C ATOM 1128 C ASP A 71 8.914 -3.825 18.267 1.00 0.00 C ATOM 1129 O ASP A 71 8.935 -4.992 17.876 1.00 0.00 O ATOM 1130 CB ASP A 71 8.253 -1.933 16.771 1.00 0.00 C ATOM 1131 CG ASP A 71 8.500 -0.439 16.677 1.00 0.00 C ATOM 1132 OD1 ASP A 71 9.678 -0.041 16.554 1.00 0.00 O ATOM 1133 OD2 ASP A 71 7.518 0.329 16.725 1.00 0.00 O ATOM 0 H ASP A 71 9.850 -3.583 15.554 1.00 0.00 H new ATOM 0 HA ASP A 71 9.990 -1.994 18.031 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.065 -2.330 15.774 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.354 -2.113 17.361 1.00 0.00 H new ATOM 1138 N PRO A 72 8.441 -3.485 19.475 1.00 0.00 N ATOM 1139 CA PRO A 72 7.912 -4.470 20.424 1.00 0.00 C ATOM 1140 C PRO A 72 6.586 -5.064 19.965 1.00 0.00 C ATOM 1141 O PRO A 72 6.071 -6.000 20.574 1.00 0.00 O ATOM 1142 CB PRO A 72 7.718 -3.657 21.707 1.00 0.00 C ATOM 1143 CG PRO A 72 7.537 -2.253 21.242 1.00 0.00 C ATOM 1144 CD PRO A 72 8.386 -2.113 20.008 1.00 0.00 C ATOM 0 HA PRO A 72 8.580 -5.323 20.540 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.850 -4.003 22.268 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.581 -3.747 22.367 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.490 -2.047 21.021 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.846 -1.544 22.011 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.943 -1.421 19.292 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.380 -1.734 20.245 1.00 0.00 H new ATOM 1152 N GLU A 73 6.039 -4.513 18.885 1.00 0.00 N ATOM 1153 CA GLU A 73 4.770 -4.990 18.345 1.00 0.00 C ATOM 1154 C GLU A 73 4.997 -6.111 17.335 1.00 0.00 C ATOM 1155 O GLU A 73 4.179 -7.021 17.207 1.00 0.00 O ATOM 1156 CB GLU A 73 4.007 -3.840 17.684 1.00 0.00 C ATOM 1157 CG GLU A 73 2.497 -4.006 17.731 1.00 0.00 C ATOM 1158 CD GLU A 73 1.764 -2.863 17.056 1.00 0.00 C ATOM 1159 OE1 GLU A 73 2.411 -2.110 16.297 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.545 -2.721 17.286 1.00 0.00 O ATOM 0 H GLU A 73 6.454 -3.738 18.368 1.00 0.00 H new ATOM 0 HA GLU A 73 4.177 -5.382 19.171 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.277 -2.906 18.176 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.323 -3.756 16.644 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.223 -4.944 17.248 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.175 -4.076 18.770 1.00 0.00 H new ATOM 1167 N MET A 74 6.115 -6.038 16.618 1.00 0.00 N ATOM 1168 CA MET A 74 6.450 -7.046 15.620 1.00 0.00 C ATOM 1169 C MET A 74 7.961 -7.230 15.518 1.00 0.00 C ATOM 1170 O MET A 74 8.491 -8.287 15.855 1.00 0.00 O ATOM 1171 CB MET A 74 5.880 -6.653 14.255 1.00 0.00 C ATOM 1172 CG MET A 74 5.347 -7.832 13.457 1.00 0.00 C ATOM 1173 SD MET A 74 3.556 -8.002 13.581 1.00 0.00 S ATOM 1174 CE MET A 74 3.421 -9.639 14.295 1.00 0.00 C ATOM 0 H MET A 74 6.803 -5.291 16.710 1.00 0.00 H new ATOM 0 HA MET A 74 6.007 -7.991 15.933 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.077 -5.930 14.400 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.657 -6.154 13.676 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.625 -7.712 12.410 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.820 -8.748 13.810 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.369 -9.890 14.433 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.883 -10.366 13.627 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.929 -9.658 15.259 1.00 0.00 H new ATOM 1184 N GLY A 75 8.649 -6.192 15.052 1.00 0.00 N ATOM 1185 CA GLY A 75 10.093 -6.260 14.915 1.00 0.00 C ATOM 1186 C GLY A 75 10.541 -6.191 13.468 1.00 0.00 C ATOM 1187 O GLY A 75 11.536 -6.809 13.091 1.00 0.00 O ATOM 0 H GLY A 75 8.233 -5.306 14.767 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.547 -5.441 15.472 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.454 -7.187 15.360 1.00 0.00 H new ATOM 1191 N GLU A 76 9.803 -5.440 12.656 1.00 0.00 N ATOM 1192 CA GLU A 76 10.130 -5.295 11.243 1.00 0.00 C ATOM 1193 C GLU A 76 9.601 -3.974 10.693 1.00 0.00 C ATOM 1194 O GLU A 76 9.101 -3.913 9.570 1.00 0.00 O ATOM 1195 CB GLU A 76 9.550 -6.463 10.441 1.00 0.00 C ATOM 1196 CG GLU A 76 10.539 -7.084 9.470 1.00 0.00 C ATOM 1197 CD GLU A 76 10.886 -8.517 9.827 1.00 0.00 C ATOM 1198 OE1 GLU A 76 11.772 -8.715 10.686 1.00 0.00 O ATOM 1199 OE2 GLU A 76 10.274 -9.439 9.250 1.00 0.00 O ATOM 0 H GLU A 76 8.975 -4.923 12.953 1.00 0.00 H new ATOM 0 HA GLU A 76 11.216 -5.299 11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.202 -7.230 11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.679 -6.115 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.121 -7.055 8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.451 -6.487 9.454 1.00 0.00 H new ATOM 1206 N ILE A 77 9.714 -2.920 11.493 1.00 0.00 N ATOM 1207 CA ILE A 77 9.247 -1.599 11.089 1.00 0.00 C ATOM 1208 C ILE A 77 10.192 -0.972 10.070 1.00 0.00 C ATOM 1209 O ILE A 77 11.263 -0.477 10.423 1.00 0.00 O ATOM 1210 CB ILE A 77 9.113 -0.654 12.298 1.00 0.00 C ATOM 1211 CG1 ILE A 77 8.260 -1.303 13.388 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.511 0.674 11.867 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.876 -1.697 12.921 1.00 0.00 C ATOM 0 H ILE A 77 10.125 -2.955 12.426 1.00 0.00 H new ATOM 0 HA ILE A 77 8.265 -1.736 10.636 1.00 0.00 H new ATOM 0 HB ILE A 77 10.106 -0.465 12.705 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.774 -2.189 13.761 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.168 -0.612 14.226 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.422 1.331 12.732 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.155 1.140 11.121 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.523 0.504 11.438 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.329 -2.151 13.747 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.343 -0.811 12.575 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.958 -2.413 12.103 1.00 0.00 H new ATOM 1225 N ILE A 78 9.787 -0.995 8.804 1.00 0.00 N ATOM 1226 CA ILE A 78 10.597 -0.426 7.734 1.00 0.00 C ATOM 1227 C ILE A 78 10.625 1.097 7.818 1.00 0.00 C ATOM 1228 O ILE A 78 9.660 1.767 7.452 1.00 0.00 O ATOM 1229 CB ILE A 78 10.069 -0.841 6.348 1.00 0.00 C ATOM 1230 CG1 ILE A 78 9.984 -2.366 6.247 1.00 0.00 C ATOM 1231 CG2 ILE A 78 10.964 -0.283 5.252 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.571 -2.899 6.339 1.00 0.00 C ATOM 0 H ILE A 78 8.904 -1.401 8.495 1.00 0.00 H new ATOM 0 HA ILE A 78 11.607 -0.815 7.861 1.00 0.00 H new ATOM 0 HB ILE A 78 9.068 -0.430 6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.423 -2.685 5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.583 -2.809 7.042 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.578 -0.585 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.981 0.805 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.976 -0.669 5.377 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.586 -3.986 6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.135 -2.611 7.296 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.972 -2.485 5.528 1.00 0.00 H new ATOM 1244 N GLN A 79 11.741 1.636 8.300 1.00 0.00 N ATOM 1245 CA GLN A 79 11.896 3.081 8.430 1.00 0.00 C ATOM 1246 C GLN A 79 12.145 3.726 7.071 1.00 0.00 C ATOM 1247 O GLN A 79 13.050 3.326 6.338 1.00 0.00 O ATOM 1248 CB GLN A 79 13.050 3.406 9.380 1.00 0.00 C ATOM 1249 CG GLN A 79 13.248 4.896 9.607 1.00 0.00 C ATOM 1250 CD GLN A 79 13.555 5.231 11.053 1.00 0.00 C ATOM 1251 OE1 GLN A 79 12.761 5.882 11.734 1.00 0.00 O ATOM 1252 NE2 GLN A 79 14.711 4.787 11.531 1.00 0.00 N ATOM 0 H GLN A 79 12.550 1.095 8.606 1.00 0.00 H new ATOM 0 HA GLN A 79 10.971 3.486 8.840 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.868 2.922 10.339 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.971 2.982 8.979 1.00 0.00 H new ATOM 0 HG2 GLN A 79 14.062 5.251 8.975 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.349 5.429 9.298 1.00 0.00 H new ATOM 0 HE21 GLN A 79 15.339 4.251 10.932 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.972 4.981 12.498 1.00 0.00 H new ATOM 1261 N LEU A 80 11.334 4.726 6.738 1.00 0.00 N ATOM 1262 CA LEU A 80 11.465 5.427 5.467 1.00 0.00 C ATOM 1263 C LEU A 80 11.532 6.936 5.681 1.00 0.00 C ATOM 1264 O LEU A 80 10.562 7.554 6.116 1.00 0.00 O ATOM 1265 CB LEU A 80 10.291 5.083 4.550 1.00 0.00 C ATOM 1266 CG LEU A 80 10.623 4.228 3.326 1.00 0.00 C ATOM 1267 CD1 LEU A 80 10.779 2.768 3.721 1.00 0.00 C ATOM 1268 CD2 LEU A 80 9.548 4.381 2.259 1.00 0.00 C ATOM 0 H LEU A 80 10.579 5.068 7.332 1.00 0.00 H new ATOM 0 HA LEU A 80 12.394 5.104 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.537 4.561 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.839 6.014 4.206 1.00 0.00 H new ATOM 0 HG LEU A 80 11.570 4.575 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.015 2.175 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.585 2.672 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.849 2.409 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.802 3.765 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.587 4.062 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.485 5.425 1.954 1.00 0.00 H new ATOM 1280 N GLN A 81 12.685 7.521 5.371 1.00 0.00 N ATOM 1281 CA GLN A 81 12.878 8.957 5.529 1.00 0.00 C ATOM 1282 C GLN A 81 12.841 9.664 4.177 1.00 0.00 C ATOM 1283 O GLN A 81 13.545 9.277 3.245 1.00 0.00 O ATOM 1284 CB GLN A 81 14.208 9.241 6.229 1.00 0.00 C ATOM 1285 CG GLN A 81 14.446 10.716 6.510 1.00 0.00 C ATOM 1286 CD GLN A 81 15.250 10.948 7.775 1.00 0.00 C ATOM 1287 OE1 GLN A 81 15.737 10.002 8.396 1.00 0.00 O ATOM 1288 NE2 GLN A 81 15.393 12.209 8.164 1.00 0.00 N ATOM 0 H GLN A 81 13.498 7.023 5.009 1.00 0.00 H new ATOM 0 HA GLN A 81 12.063 9.341 6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.238 8.691 7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.022 8.862 5.612 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.969 11.163 5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.486 11.225 6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.972 12.962 7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.924 12.425 9.008 1.00 0.00 H new ATOM 1297 N GLY A 82 12.015 10.700 4.079 1.00 0.00 N ATOM 1298 CA GLY A 82 11.903 11.444 2.837 1.00 0.00 C ATOM 1299 C GLY A 82 10.602 12.215 2.740 1.00 0.00 C ATOM 1300 O GLY A 82 9.700 12.031 3.557 1.00 0.00 O ATOM 0 H GLY A 82 11.421 11.038 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.740 12.138 2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.977 10.755 1.996 1.00 0.00 H new ATOM 1304 N ASP A 83 10.505 13.086 1.742 1.00 0.00 N ATOM 1305 CA ASP A 83 9.305 13.891 1.541 1.00 0.00 C ATOM 1306 C ASP A 83 8.456 13.328 0.407 1.00 0.00 C ATOM 1307 O ASP A 83 7.773 14.070 -0.297 1.00 0.00 O ATOM 1308 CB ASP A 83 9.683 15.343 1.241 1.00 0.00 C ATOM 1309 CG ASP A 83 8.736 16.333 1.887 1.00 0.00 C ATOM 1310 OD1 ASP A 83 7.677 16.620 1.290 1.00 0.00 O ATOM 1311 OD2 ASP A 83 9.053 16.822 2.993 1.00 0.00 O ATOM 0 H ASP A 83 11.244 13.253 1.059 1.00 0.00 H new ATOM 0 HA ASP A 83 8.718 13.859 2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.697 15.532 1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.686 15.499 0.162 1.00 0.00 H new ATOM 1316 N GLN A 84 8.506 12.011 0.235 1.00 0.00 N ATOM 1317 CA GLN A 84 7.742 11.349 -0.817 1.00 0.00 C ATOM 1318 C GLN A 84 6.796 10.308 -0.229 1.00 0.00 C ATOM 1319 O GLN A 84 6.822 9.140 -0.619 1.00 0.00 O ATOM 1320 CB GLN A 84 8.686 10.687 -1.823 1.00 0.00 C ATOM 1321 CG GLN A 84 9.344 11.670 -2.777 1.00 0.00 C ATOM 1322 CD GLN A 84 8.337 12.540 -3.503 1.00 0.00 C ATOM 1323 OE1 GLN A 84 7.167 12.179 -3.633 1.00 0.00 O ATOM 1324 NE2 GLN A 84 8.787 13.695 -3.981 1.00 0.00 N ATOM 0 H GLN A 84 9.067 11.382 0.810 1.00 0.00 H new ATOM 0 HA GLN A 84 7.148 12.105 -1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.461 10.146 -1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.129 9.950 -2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.033 12.305 -2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.937 11.120 -3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.765 13.955 -3.851 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.155 14.322 -4.478 1.00 0.00 H new ATOM 1333 N ARG A 85 5.963 10.738 0.713 1.00 0.00 N ATOM 1334 CA ARG A 85 5.008 9.842 1.356 1.00 0.00 C ATOM 1335 C ARG A 85 3.996 9.310 0.347 1.00 0.00 C ATOM 1336 O ARG A 85 3.890 8.101 0.137 1.00 0.00 O ATOM 1337 CB ARG A 85 4.281 10.566 2.491 1.00 0.00 C ATOM 1338 CG ARG A 85 3.476 9.640 3.388 1.00 0.00 C ATOM 1339 CD ARG A 85 2.050 10.139 3.566 1.00 0.00 C ATOM 1340 NE ARG A 85 1.281 10.052 2.328 1.00 0.00 N ATOM 1341 CZ ARG A 85 -0.041 10.179 2.273 1.00 0.00 C ATOM 1342 NH1 ARG A 85 -0.735 10.398 3.382 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.670 10.087 1.110 1.00 0.00 N ATOM 0 H ARG A 85 5.930 11.701 1.048 1.00 0.00 H new ATOM 0 HA ARG A 85 5.561 8.998 1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.013 11.100 3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.614 11.315 2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.461 8.638 2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.960 9.563 4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.556 9.554 4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.068 11.173 3.909 1.00 0.00 H new ATOM 0 HE ARG A 85 1.786 9.885 1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.254 10.469 4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.749 10.495 3.338 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.140 9.918 0.255 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.685 10.185 1.070 1.00 0.00 H new ATOM 1357 N ALA A 86 3.254 10.221 -0.274 1.00 0.00 N ATOM 1358 CA ALA A 86 2.251 9.843 -1.262 1.00 0.00 C ATOM 1359 C ALA A 86 2.860 8.977 -2.361 1.00 0.00 C ATOM 1360 O ALA A 86 2.169 8.175 -2.989 1.00 0.00 O ATOM 1361 CB ALA A 86 1.608 11.085 -1.862 1.00 0.00 C ATOM 0 H ALA A 86 3.328 11.225 -0.111 1.00 0.00 H new ATOM 0 HA ALA A 86 1.483 9.256 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.861 10.788 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.129 11.664 -1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.373 11.693 -2.346 1.00 0.00 H new ATOM 1367 N LYS A 87 4.159 9.147 -2.587 1.00 0.00 N ATOM 1368 CA LYS A 87 4.863 8.380 -3.610 1.00 0.00 C ATOM 1369 C LYS A 87 5.098 6.946 -3.149 1.00 0.00 C ATOM 1370 O LYS A 87 4.895 5.998 -3.907 1.00 0.00 O ATOM 1371 CB LYS A 87 6.200 9.046 -3.943 1.00 0.00 C ATOM 1372 CG LYS A 87 6.608 8.893 -5.399 1.00 0.00 C ATOM 1373 CD LYS A 87 5.671 9.653 -6.323 1.00 0.00 C ATOM 1374 CE LYS A 87 6.265 10.987 -6.748 1.00 0.00 C ATOM 1375 NZ LYS A 87 6.420 11.080 -8.226 1.00 0.00 N ATOM 0 H LYS A 87 4.745 9.808 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 87 4.242 8.357 -4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.139 10.107 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.977 8.619 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.627 9.257 -5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.609 7.837 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.461 9.050 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.719 9.822 -5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.625 11.797 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.237 11.120 -6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.828 12.004 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.051 10.322 -8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.490 10.979 -8.680 1.00 0.00 H new ATOM 1389 N VAL A 88 5.526 6.792 -1.900 1.00 0.00 N ATOM 1390 CA VAL A 88 5.786 5.474 -1.337 1.00 0.00 C ATOM 1391 C VAL A 88 4.511 4.640 -1.278 1.00 0.00 C ATOM 1392 O VAL A 88 4.555 3.411 -1.359 1.00 0.00 O ATOM 1393 CB VAL A 88 6.387 5.574 0.077 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.692 4.191 0.630 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.638 6.440 0.064 1.00 0.00 C ATOM 0 H VAL A 88 5.700 7.566 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 88 6.506 4.987 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 88 5.653 6.045 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.116 4.284 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.772 3.608 0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.407 3.688 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.050 6.500 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.378 6.000 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.384 7.441 -0.284 1.00 0.00 H new ATOM 1405 N CYS A 89 3.376 5.315 -1.134 1.00 0.00 N ATOM 1406 CA CYS A 89 2.086 4.638 -1.064 1.00 0.00 C ATOM 1407 C CYS A 89 1.596 4.256 -2.456 1.00 0.00 C ATOM 1408 O CYS A 89 1.003 3.194 -2.647 1.00 0.00 O ATOM 1409 CB CYS A 89 1.055 5.529 -0.372 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.287 4.621 0.432 1.00 0.00 S ATOM 0 H CYS A 89 3.323 6.331 -1.063 1.00 0.00 H new ATOM 0 HA CYS A 89 2.214 3.726 -0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.562 6.141 0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.628 6.211 -1.108 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.106 5.462 0.990 1.00 0.00 H new ATOM 1416 N GLU A 90 1.842 5.132 -3.425 1.00 0.00 N ATOM 1417 CA GLU A 90 1.423 4.887 -4.801 1.00 0.00 C ATOM 1418 C GLU A 90 2.308 3.835 -5.461 1.00 0.00 C ATOM 1419 O GLU A 90 1.847 3.054 -6.294 1.00 0.00 O ATOM 1420 CB GLU A 90 1.466 6.186 -5.608 1.00 0.00 C ATOM 1421 CG GLU A 90 0.783 6.085 -6.962 1.00 0.00 C ATOM 1422 CD GLU A 90 0.111 7.378 -7.376 1.00 0.00 C ATOM 1423 OE1 GLU A 90 -0.843 7.797 -6.689 1.00 0.00 O ATOM 1424 OE2 GLU A 90 0.540 7.973 -8.386 1.00 0.00 O ATOM 0 H GLU A 90 2.329 6.017 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 90 0.399 4.513 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.992 6.979 -5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.506 6.478 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.519 5.805 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.040 5.288 -6.931 1.00 0.00 H new ATOM 1431 N PHE A 91 3.581 3.819 -5.081 1.00 0.00 N ATOM 1432 CA PHE A 91 4.533 2.863 -5.636 1.00 0.00 C ATOM 1433 C PHE A 91 4.403 1.506 -4.953 1.00 0.00 C ATOM 1434 O PHE A 91 4.596 0.462 -5.576 1.00 0.00 O ATOM 1435 CB PHE A 91 5.962 3.389 -5.487 1.00 0.00 C ATOM 1436 CG PHE A 91 6.889 2.919 -6.572 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.692 3.308 -7.887 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.959 2.090 -6.276 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.543 2.877 -8.887 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.814 1.656 -7.270 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.606 2.052 -8.578 1.00 0.00 C ATOM 0 H PHE A 91 3.978 4.457 -4.391 1.00 0.00 H new ATOM 0 HA PHE A 91 4.309 2.738 -6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.941 4.479 -5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.357 3.075 -4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.864 3.956 -8.134 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.127 1.779 -5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.377 3.185 -9.909 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.643 1.009 -7.026 1.00 0.00 H new ATOM 0 HZ PHE A 91 9.274 1.716 -9.357 1.00 0.00 H new ATOM 1451 N MET A 92 4.074 1.529 -3.665 1.00 0.00 N ATOM 1452 CA MET A 92 3.919 0.300 -2.895 1.00 0.00 C ATOM 1453 C MET A 92 2.689 -0.477 -3.354 1.00 0.00 C ATOM 1454 O MET A 92 2.741 -1.696 -3.522 1.00 0.00 O ATOM 1455 CB MET A 92 3.806 0.619 -1.402 1.00 0.00 C ATOM 1456 CG MET A 92 3.517 -0.599 -0.541 1.00 0.00 C ATOM 1457 SD MET A 92 4.169 -0.437 1.133 1.00 0.00 S ATOM 1458 CE MET A 92 5.216 -1.886 1.229 1.00 0.00 C ATOM 0 H MET A 92 3.910 2.384 -3.133 1.00 0.00 H new ATOM 0 HA MET A 92 4.801 -0.318 -3.062 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.735 1.079 -1.066 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.015 1.354 -1.255 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.440 -0.758 -0.493 1.00 0.00 H new ATOM 0 HG3 MET A 92 3.949 -1.482 -1.011 1.00 0.00 H new ATOM 0 HE1 MET A 92 5.405 -2.130 2.274 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.719 -2.727 0.745 1.00 0.00 H new ATOM 0 HE3 MET A 92 6.162 -1.685 0.726 1.00 0.00 H new ATOM 1468 N ILE A 93 1.586 0.235 -3.557 1.00 0.00 N ATOM 1469 CA ILE A 93 0.346 -0.389 -3.998 1.00 0.00 C ATOM 1470 C ILE A 93 0.418 -0.781 -5.470 1.00 0.00 C ATOM 1471 O ILE A 93 -0.037 -1.855 -5.862 1.00 0.00 O ATOM 1472 CB ILE A 93 -0.861 0.545 -3.787 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -0.977 0.938 -2.313 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.140 -0.125 -4.266 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -1.887 2.122 -2.073 1.00 0.00 C ATOM 0 H ILE A 93 1.526 1.244 -3.423 1.00 0.00 H new ATOM 0 HA ILE A 93 0.213 -1.285 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.708 1.451 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.348 0.084 -1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.016 1.169 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.983 0.548 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.053 -0.358 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.301 -1.045 -3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.921 2.344 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.506 2.989 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.891 1.887 -2.427 1.00 0.00 H new ATOM 1487 N SER A 94 0.999 0.099 -6.283 1.00 0.00 N ATOM 1488 CA SER A 94 1.132 -0.154 -7.712 1.00 0.00 C ATOM 1489 C SER A 94 2.099 -1.305 -7.973 1.00 0.00 C ATOM 1490 O SER A 94 2.018 -1.975 -9.002 1.00 0.00 O ATOM 1491 CB SER A 94 1.615 1.106 -8.431 1.00 0.00 C ATOM 1492 OG SER A 94 1.661 0.908 -9.834 1.00 0.00 O ATOM 0 H SER A 94 1.384 0.992 -5.975 1.00 0.00 H new ATOM 0 HA SER A 94 0.152 -0.432 -8.099 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.950 1.938 -8.200 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.605 1.379 -8.067 1.00 0.00 H new ATOM 0 HG SER A 94 1.971 1.729 -10.270 1.00 0.00 H new ATOM 1498 N GLN A 95 3.012 -1.527 -7.034 1.00 0.00 N ATOM 1499 CA GLN A 95 3.996 -2.596 -7.162 1.00 0.00 C ATOM 1500 C GLN A 95 3.509 -3.868 -6.478 1.00 0.00 C ATOM 1501 O GLN A 95 3.892 -4.976 -6.859 1.00 0.00 O ATOM 1502 CB GLN A 95 5.335 -2.159 -6.562 1.00 0.00 C ATOM 1503 CG GLN A 95 6.494 -3.069 -6.937 1.00 0.00 C ATOM 1504 CD GLN A 95 6.569 -3.335 -8.428 1.00 0.00 C ATOM 1505 OE1 GLN A 95 6.773 -2.416 -9.223 1.00 0.00 O ATOM 1506 NE2 GLN A 95 6.408 -4.594 -8.815 1.00 0.00 N ATOM 0 H GLN A 95 3.091 -0.981 -6.176 1.00 0.00 H new ATOM 0 HA GLN A 95 4.133 -2.806 -8.223 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.558 -1.145 -6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.245 -2.128 -5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.428 -2.616 -6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.393 -4.016 -6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.241 -5.323 -8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.451 -4.832 -9.806 1.00 0.00 H new ATOM 1515 N LEU A 96 2.664 -3.705 -5.467 1.00 0.00 N ATOM 1516 CA LEU A 96 2.124 -4.840 -4.728 1.00 0.00 C ATOM 1517 C LEU A 96 1.016 -5.527 -5.520 1.00 0.00 C ATOM 1518 O LEU A 96 0.738 -6.709 -5.320 1.00 0.00 O ATOM 1519 CB LEU A 96 1.587 -4.383 -3.370 1.00 0.00 C ATOM 1520 CG LEU A 96 2.612 -4.293 -2.239 1.00 0.00 C ATOM 1521 CD1 LEU A 96 2.074 -3.444 -1.098 1.00 0.00 C ATOM 1522 CD2 LEU A 96 2.985 -5.682 -1.745 1.00 0.00 C ATOM 0 H LEU A 96 2.337 -2.796 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 96 2.931 -5.555 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.127 -3.403 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.798 -5.070 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 96 3.512 -3.815 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.817 -3.391 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.860 -2.439 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.159 -3.892 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.715 -5.598 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.093 -6.188 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.414 -6.257 -2.566 1.00 0.00 H new ATOM 1534 N GLY A 97 0.388 -4.779 -6.422 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.681 -5.334 -7.232 1.00 0.00 C ATOM 1536 C GLY A 97 -2.044 -4.796 -6.842 1.00 0.00 C ATOM 1537 O GLY A 97 -3.017 -5.546 -6.762 1.00 0.00 O ATOM 0 H GLY A 97 0.600 -3.799 -6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.492 -5.109 -8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.681 -6.420 -7.134 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.114 -3.492 -6.598 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.368 -2.854 -6.212 1.00 0.00 C ATOM 1543 C LEU A 98 -3.863 -3.391 -4.873 1.00 0.00 C ATOM 1544 O LEU A 98 -4.999 -3.853 -4.763 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.431 -3.077 -7.289 1.00 0.00 C ATOM 1546 CG LEU A 98 -5.520 -2.009 -7.390 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -5.824 -1.693 -8.847 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -6.780 -2.461 -6.666 1.00 0.00 C ATOM 0 H LEU A 98 -1.319 -2.857 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.185 -1.784 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.931 -3.150 -8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.910 -4.039 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.156 -1.100 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.601 -0.931 -8.899 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.922 -1.325 -9.335 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.167 -2.596 -9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.544 -1.688 -6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.147 -3.384 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.553 -2.636 -5.614 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.006 -3.326 -3.860 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.359 -3.806 -2.529 1.00 0.00 C ATOM 1562 C GLN A 99 -3.911 -2.673 -1.670 1.00 0.00 C ATOM 1563 O GLN A 99 -3.197 -1.727 -1.337 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.138 -4.427 -1.849 1.00 0.00 C ATOM 1565 CG GLN A 99 -2.490 -5.363 -0.702 1.00 0.00 C ATOM 1566 CD GLN A 99 -2.944 -6.728 -1.182 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -4.135 -7.041 -1.160 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -1.996 -7.548 -1.618 1.00 0.00 N ATOM 0 H GLN A 99 -2.062 -2.946 -3.935 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.133 -4.566 -2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.560 -4.977 -2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.497 -3.630 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.621 -5.480 -0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.279 -4.913 -0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.022 -7.247 -1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.242 -8.480 -1.953 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.188 -2.773 -1.318 1.00 0.00 N ATOM 1578 CA LYS A 100 -5.839 -1.758 -0.499 1.00 0.00 C ATOM 1579 C LYS A 100 -6.950 -2.371 0.346 1.00 0.00 C ATOM 1580 O LYS A 100 -7.829 -1.665 0.843 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.409 -0.647 -1.382 1.00 0.00 C ATOM 1582 CG LYS A 100 -5.806 0.720 -1.108 1.00 0.00 C ATOM 1583 CD LYS A 100 -6.882 1.770 -0.883 1.00 0.00 C ATOM 1584 CE LYS A 100 -6.301 3.175 -0.903 1.00 0.00 C ATOM 1585 NZ LYS A 100 -7.361 4.210 -1.060 1.00 0.00 N ATOM 0 H LYS A 100 -5.794 -3.548 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.090 -1.333 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.243 -0.905 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.488 -0.595 -1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.161 0.665 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.177 1.016 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.647 1.680 -1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.372 1.591 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.752 3.354 0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.585 3.261 -1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.925 5.154 -1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.869 4.054 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.030 4.145 -0.266 1.00 0.00 H new ATOM 1599 N LYS A 101 -6.907 -3.689 0.506 1.00 0.00 N ATOM 1600 CA LYS A 101 -7.910 -4.399 1.294 1.00 0.00 C ATOM 1601 C LYS A 101 -8.014 -3.811 2.697 1.00 0.00 C ATOM 1602 O LYS A 101 -9.062 -3.891 3.337 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.564 -5.886 1.376 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.343 -6.747 0.397 1.00 0.00 C ATOM 1605 CD LYS A 101 -8.194 -8.226 0.713 1.00 0.00 C ATOM 1606 CE LYS A 101 -9.373 -9.031 0.187 1.00 0.00 C ATOM 1607 NZ LYS A 101 -9.089 -10.492 0.185 1.00 0.00 N ATOM 0 H LYS A 101 -6.188 -4.288 0.101 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.874 -4.284 0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.498 -6.013 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.755 -6.239 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.397 -6.472 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.993 -6.554 -0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.270 -8.602 0.273 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.112 -8.362 1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.251 -8.832 0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.612 -8.706 -0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.916 -11.006 -0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.266 -10.685 -0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.886 -10.807 1.155 1.00 0.00 H new ATOM 1621 N ASN A 102 -6.921 -3.220 3.170 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.890 -2.619 4.498 1.00 0.00 C ATOM 1623 C ASN A 102 -5.588 -1.857 4.720 1.00 0.00 C ATOM 1624 O ASN A 102 -4.538 -2.239 4.203 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.055 -3.695 5.572 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.546 -3.128 6.890 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.932 -2.224 7.456 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.657 -3.658 7.385 1.00 0.00 N ATOM 0 H ASN A 102 -6.045 -3.145 2.653 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.719 -1.915 4.570 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.758 -4.450 5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.100 -4.197 5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.035 -3.317 8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.133 -4.406 6.881 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.664 -0.779 5.494 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.491 0.036 5.786 1.00 0.00 C ATOM 1637 C ILE A 103 -4.533 0.567 7.214 1.00 0.00 C ATOM 1638 O ILE A 103 -5.497 1.215 7.619 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.373 1.223 4.811 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -3.066 1.981 5.053 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -5.567 2.153 4.963 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -2.890 3.184 4.153 1.00 0.00 C ATOM 0 H ILE A 103 -6.525 -0.450 5.930 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.621 -0.609 5.666 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.365 0.838 3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.032 2.307 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.228 1.300 4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.470 2.987 4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.484 1.606 4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.604 2.534 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.943 3.673 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.892 2.863 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.708 3.885 4.318 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.478 0.289 7.975 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.391 0.740 9.358 1.00 0.00 C ATOM 1656 C LYS A 104 -2.503 1.975 9.472 1.00 0.00 C ATOM 1657 O LYS A 104 -1.284 1.890 9.319 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.844 -0.379 10.248 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.614 -0.553 11.546 1.00 0.00 C ATOM 1660 CD LYS A 104 -3.329 0.580 12.518 1.00 0.00 C ATOM 1661 CE LYS A 104 -4.259 0.528 13.721 1.00 0.00 C ATOM 1662 NZ LYS A 104 -3.935 -0.611 14.625 1.00 0.00 N ATOM 0 H LYS A 104 -2.671 -0.247 7.655 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.395 1.003 9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.866 -1.317 9.693 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.800 -0.170 10.480 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.682 -0.592 11.334 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.345 -1.504 12.005 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.294 0.521 12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.445 1.536 12.008 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.187 1.463 14.276 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.290 0.438 13.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.591 -0.611 15.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.028 -1.506 14.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.960 -0.512 14.972 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.121 3.120 9.741 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.386 4.370 9.878 1.00 0.00 C ATOM 1678 C ILE A 105 -2.328 4.818 11.336 1.00 0.00 C ATOM 1679 O ILE A 105 -3.324 4.748 12.057 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.019 5.492 9.033 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.330 4.984 7.624 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.094 6.699 8.975 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -3.980 6.023 6.737 1.00 0.00 C ATOM 0 H ILE A 105 -4.129 3.207 9.868 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.375 4.181 9.518 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.953 5.798 9.504 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.405 4.646 7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.987 4.117 7.696 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.556 7.483 8.374 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.918 7.071 9.984 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.145 6.409 8.525 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.172 5.593 5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.921 6.344 7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.316 6.881 6.635 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.157 5.281 11.762 1.00 0.00 N ATOM 1696 CA HIS A 106 -0.970 5.743 13.133 1.00 0.00 C ATOM 1697 C HIS A 106 -1.321 7.222 13.259 1.00 0.00 C ATOM 1698 O HIS A 106 -0.879 8.046 12.460 1.00 0.00 O ATOM 1699 CB HIS A 106 0.472 5.508 13.580 1.00 0.00 C ATOM 1700 CG HIS A 106 0.594 4.600 14.764 1.00 0.00 C ATOM 1701 ND1 HIS A 106 1.493 4.812 15.787 1.00 0.00 N ATOM 1702 CD2 HIS A 106 -0.081 3.471 15.085 1.00 0.00 C ATOM 1703 CE1 HIS A 106 1.367 3.852 16.687 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.419 3.027 16.285 1.00 0.00 N ATOM 0 H HIS A 106 -0.323 5.346 11.178 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.639 5.173 13.778 1.00 0.00 H new ATOM 0 HB2 HIS A 106 1.036 5.085 12.749 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.930 6.468 13.820 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -0.866 3.007 14.506 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.942 3.759 17.596 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.108 2.194 16.785 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.121 7.551 14.270 1.00 0.00 N ATOM 1713 CA GLY A 107 -2.517 8.931 14.483 1.00 0.00 C ATOM 1714 C GLY A 107 -1.825 9.555 15.678 1.00 0.00 C ATOM 1715 O GLY A 107 -2.394 9.625 16.767 1.00 0.00 O ATOM 0 H GLY A 107 -2.501 6.887 14.944 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.289 9.513 13.590 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.596 8.978 14.627 1.00 0.00 H new ATOM 1719 N PHE A 108 -0.593 10.011 15.474 1.00 0.00 N ATOM 1720 CA PHE A 108 0.178 10.631 16.545 1.00 0.00 C ATOM 1721 C PHE A 108 1.072 11.740 15.998 1.00 0.00 C ATOM 1722 O PHE A 108 2.010 12.181 16.665 1.00 0.00 O ATOM 1723 CB PHE A 108 1.029 9.582 17.262 1.00 0.00 C ATOM 1724 CG PHE A 108 1.085 9.771 18.751 1.00 0.00 C ATOM 1725 CD1 PHE A 108 0.090 9.252 19.565 1.00 0.00 C ATOM 1726 CD2 PHE A 108 2.130 10.465 19.337 1.00 0.00 C ATOM 1727 CE1 PHE A 108 0.138 9.426 20.936 1.00 0.00 C ATOM 1728 CE2 PHE A 108 2.184 10.641 20.707 1.00 0.00 C ATOM 1729 CZ PHE A 108 1.187 10.120 21.508 1.00 0.00 C ATOM 0 H PHE A 108 -0.108 9.963 14.578 1.00 0.00 H new ATOM 0 HA PHE A 108 -0.522 11.069 17.257 1.00 0.00 H new ATOM 0 HB2 PHE A 108 0.630 8.591 17.044 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.042 9.612 16.862 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.731 8.706 19.124 1.00 0.00 H new ATOM 0 HD2 PHE A 108 2.913 10.874 18.716 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.644 9.019 21.560 1.00 0.00 H new ATOM 0 HE2 PHE A 108 3.005 11.185 21.150 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.227 10.255 22.579 1.00 0.00 H new TER 1739 PHE A 108