USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=17 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 65 ASN : amide:sc= -0.0393 K(o=-0.076,f=-3) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.0366 K(o=-0.076,f=0.58) USER MOD Set 2.1: A 31 GLN : amide:sc= -0.115 X(o=-0.7,f=-1.2) USER MOD Set 2.2: A 41 THR OG1 : rot 26:sc= -0.589 USER MOD Set 3.1: A 23 SER OG : rot 180:sc= 0.0163 USER MOD Set 3.2: A 24 ASN : amide:sc= -0.118 K(o=-0.1,f=-0.61) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -148:sc= -0.0755 (180deg=-0.674) USER MOD Single : A 2 SER OG : rot 180:sc= -0.336 USER MOD Single : A 5 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.3!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 46:sc= 0.1 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -160:sc= -0.362 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.834 K(o=-0.83,f=-1.3) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 150:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.902 K(o=-0.9,f=-4!) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.344 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 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= -0.183 K(o=-0.18,f=-1.1) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 84 GLN : amide:sc= -0.406 K(o=-0.41,f=-1.2) USER MOD Single : A 87 LYS NZ :NH3+ 121:sc= -0.074 (180deg=-0.502) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -160:sc= -0.0146 (180deg=-0.279) USER MOD Single : A 94 SER OG : rot -172:sc= -0.833 USER MOD Single : A 95 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.035) USER MOD Single : A 99 GLN : amide:sc= -0.694 X(o=-0.69,f=-1.1) 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 102 ASN : amide:sc= -1.99 K(o=-2,f=-6.1!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -57.642 -43.437 -29.939 1.00 0.00 N ATOM 2 CA MET A 1 -57.053 -43.519 -28.608 1.00 0.00 C ATOM 3 C MET A 1 -55.564 -43.191 -28.653 1.00 0.00 C ATOM 4 O MET A 1 -54.735 -44.066 -28.906 1.00 0.00 O ATOM 5 CB MET A 1 -57.265 -44.913 -28.018 1.00 0.00 C ATOM 6 CG MET A 1 -58.725 -45.331 -27.953 1.00 0.00 C ATOM 7 SD MET A 1 -59.039 -46.891 -28.802 1.00 0.00 S ATOM 8 CE MET A 1 -60.711 -46.627 -29.389 1.00 0.00 C ATOM 0 H1 MET A 1 -58.631 -43.124 -29.862 1.00 0.00 H new ATOM 0 H2 MET A 1 -57.107 -42.755 -30.514 1.00 0.00 H new ATOM 0 H3 MET A 1 -57.609 -44.373 -30.392 1.00 0.00 H new ATOM 0 HA MET A 1 -57.549 -42.786 -27.971 1.00 0.00 H new ATOM 0 HB2 MET A 1 -56.714 -45.639 -28.616 1.00 0.00 H new ATOM 0 HB3 MET A 1 -56.843 -44.941 -27.014 1.00 0.00 H new ATOM 0 HG2 MET A 1 -59.027 -45.422 -26.910 1.00 0.00 H new ATOM 0 HG3 MET A 1 -59.343 -44.550 -28.396 1.00 0.00 H new ATOM 0 HE1 MET A 1 -61.048 -47.508 -29.936 1.00 0.00 H new ATOM 0 HE2 MET A 1 -61.372 -46.453 -28.540 1.00 0.00 H new ATOM 0 HE3 MET A 1 -60.732 -45.760 -30.049 1.00 0.00 H new ATOM 17 N SER A 2 -55.231 -41.929 -28.403 1.00 0.00 N ATOM 18 CA SER A 2 -53.841 -41.488 -28.418 1.00 0.00 C ATOM 19 C SER A 2 -53.676 -40.188 -27.637 1.00 0.00 C ATOM 20 O SER A 2 -54.500 -39.278 -27.743 1.00 0.00 O ATOM 21 CB SER A 2 -53.361 -41.296 -29.858 1.00 0.00 C ATOM 22 OG SER A 2 -54.308 -41.803 -30.783 1.00 0.00 O ATOM 0 H SER A 2 -55.904 -41.194 -28.188 1.00 0.00 H new ATOM 0 HA SER A 2 -53.235 -42.258 -27.940 1.00 0.00 H new ATOM 0 HB2 SER A 2 -53.192 -40.237 -30.050 1.00 0.00 H new ATOM 0 HB3 SER A 2 -52.406 -41.802 -29.997 1.00 0.00 H new ATOM 0 HG SER A 2 -53.979 -41.667 -31.696 1.00 0.00 H new ATOM 28 N ILE A 3 -52.606 -40.107 -26.855 1.00 0.00 N ATOM 29 CA ILE A 3 -52.332 -38.917 -26.057 1.00 0.00 C ATOM 30 C ILE A 3 -50.893 -38.447 -26.248 1.00 0.00 C ATOM 31 O ILE A 3 -49.948 -39.194 -25.999 1.00 0.00 O ATOM 32 CB ILE A 3 -52.580 -39.176 -24.559 1.00 0.00 C ATOM 33 CG1 ILE A 3 -54.013 -39.662 -24.333 1.00 0.00 C ATOM 34 CG2 ILE A 3 -52.310 -37.914 -23.752 1.00 0.00 C ATOM 35 CD1 ILE A 3 -54.104 -41.128 -23.973 1.00 0.00 C ATOM 0 H ILE A 3 -51.914 -40.850 -26.756 1.00 0.00 H new ATOM 0 HA ILE A 3 -53.015 -38.141 -26.402 1.00 0.00 H new ATOM 0 HB ILE A 3 -51.895 -39.954 -24.222 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -54.467 -39.072 -23.537 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -54.596 -39.481 -25.236 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -52.489 -38.112 -22.695 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -51.274 -37.607 -23.893 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -52.973 -37.118 -24.089 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -55.149 -41.403 -23.827 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -53.680 -41.727 -24.779 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -53.549 -41.312 -23.053 1.00 0.00 H new ATOM 47 N GLU A 4 -50.738 -37.204 -26.691 1.00 0.00 N ATOM 48 CA GLU A 4 -49.414 -36.634 -26.915 1.00 0.00 C ATOM 49 C GLU A 4 -49.244 -35.332 -26.135 1.00 0.00 C ATOM 50 O GLU A 4 -50.191 -34.828 -25.536 1.00 0.00 O ATOM 51 CB GLU A 4 -49.190 -36.379 -28.408 1.00 0.00 C ATOM 52 CG GLU A 4 -50.131 -35.343 -28.996 1.00 0.00 C ATOM 53 CD GLU A 4 -49.398 -34.124 -29.525 1.00 0.00 C ATOM 54 OE1 GLU A 4 -48.344 -34.301 -30.171 1.00 0.00 O ATOM 55 OE2 GLU A 4 -49.878 -32.995 -29.292 1.00 0.00 O ATOM 0 H GLU A 4 -51.511 -36.573 -26.902 1.00 0.00 H new ATOM 0 HA GLU A 4 -48.673 -37.350 -26.561 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -48.162 -36.052 -28.562 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -49.311 -37.317 -28.950 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -50.706 -35.796 -29.804 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -50.845 -35.031 -28.233 1.00 0.00 H new ATOM 62 N ASN A 5 -48.028 -34.797 -26.149 1.00 0.00 N ATOM 63 CA ASN A 5 -47.732 -33.556 -25.442 1.00 0.00 C ATOM 64 C ASN A 5 -46.294 -33.113 -25.702 1.00 0.00 C ATOM 65 O ASN A 5 -45.438 -33.922 -26.058 1.00 0.00 O ATOM 66 CB ASN A 5 -47.958 -33.734 -23.940 1.00 0.00 C ATOM 67 CG ASN A 5 -48.899 -32.689 -23.370 1.00 0.00 C ATOM 68 OD1 ASN A 5 -49.794 -32.203 -24.060 1.00 0.00 O ATOM 69 ND2 ASN A 5 -48.699 -32.341 -22.104 1.00 0.00 N ATOM 0 H ASN A 5 -47.232 -35.203 -26.641 1.00 0.00 H new ATOM 0 HA ASN A 5 -48.406 -32.784 -25.815 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -48.365 -34.727 -23.752 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -47.001 -33.678 -23.422 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -49.301 -31.644 -21.666 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -47.944 -32.771 -21.570 1.00 0.00 H new ATOM 76 N LEU A 6 -46.039 -31.821 -25.522 1.00 0.00 N ATOM 77 CA LEU A 6 -44.705 -31.269 -25.735 1.00 0.00 C ATOM 78 C LEU A 6 -43.992 -31.040 -24.408 1.00 0.00 C ATOM 79 O LEU A 6 -44.627 -30.814 -23.378 1.00 0.00 O ATOM 80 CB LEU A 6 -44.796 -29.953 -26.511 1.00 0.00 C ATOM 81 CG LEU A 6 -44.962 -30.077 -28.026 1.00 0.00 C ATOM 82 CD1 LEU A 6 -45.986 -29.075 -28.535 1.00 0.00 C ATOM 83 CD2 LEU A 6 -43.625 -29.879 -28.727 1.00 0.00 C ATOM 0 H LEU A 6 -46.737 -31.137 -25.230 1.00 0.00 H new ATOM 0 HA LEU A 6 -44.129 -31.989 -26.316 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -45.637 -29.381 -26.119 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -43.895 -29.373 -26.311 1.00 0.00 H new ATOM 0 HG LEU A 6 -45.323 -31.080 -28.252 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -46.090 -29.178 -29.615 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -46.948 -29.263 -28.058 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -45.655 -28.064 -28.298 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -43.762 -29.971 -29.804 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -43.235 -28.888 -28.494 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -42.919 -30.636 -28.385 1.00 0.00 H new ATOM 95 N LYS A 7 -42.664 -31.102 -24.438 1.00 0.00 N ATOM 96 CA LYS A 7 -41.861 -30.898 -23.238 1.00 0.00 C ATOM 97 C LYS A 7 -40.744 -29.892 -23.495 1.00 0.00 C ATOM 98 O LYS A 7 -40.476 -29.524 -24.639 1.00 0.00 O ATOM 99 CB LYS A 7 -41.267 -32.227 -22.767 1.00 0.00 C ATOM 100 CG LYS A 7 -42.290 -33.343 -22.649 1.00 0.00 C ATOM 101 CD LYS A 7 -43.216 -33.128 -21.463 1.00 0.00 C ATOM 102 CE LYS A 7 -44.057 -34.364 -21.181 1.00 0.00 C ATOM 103 NZ LYS A 7 -43.343 -35.331 -20.300 1.00 0.00 N ATOM 0 H LYS A 7 -42.122 -31.292 -25.281 1.00 0.00 H new ATOM 0 HA LYS A 7 -42.511 -30.500 -22.459 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -40.486 -32.533 -23.463 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -40.790 -32.079 -21.798 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -42.878 -33.397 -23.565 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -41.777 -34.299 -22.542 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -42.627 -32.878 -20.581 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -43.870 -32.279 -21.660 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -44.994 -34.066 -20.710 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -44.314 -34.851 -22.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -43.949 -36.159 -20.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -42.461 -35.635 -20.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -43.120 -34.875 -19.393 1.00 0.00 H new ATOM 117 N SER A 8 -40.093 -29.450 -22.422 1.00 0.00 N ATOM 118 CA SER A 8 -39.006 -28.485 -22.532 1.00 0.00 C ATOM 119 C SER A 8 -38.169 -28.462 -21.257 1.00 0.00 C ATOM 120 O SER A 8 -38.703 -28.525 -20.149 1.00 0.00 O ATOM 121 CB SER A 8 -39.563 -27.089 -22.816 1.00 0.00 C ATOM 122 OG SER A 8 -39.362 -26.725 -24.171 1.00 0.00 O ATOM 0 H SER A 8 -40.300 -29.745 -21.468 1.00 0.00 H new ATOM 0 HA SER A 8 -38.366 -28.788 -23.360 1.00 0.00 H new ATOM 0 HB2 SER A 8 -40.628 -27.065 -22.584 1.00 0.00 H new ATOM 0 HB3 SER A 8 -39.078 -26.361 -22.165 1.00 0.00 H new ATOM 0 HG SER A 8 -39.621 -27.470 -24.752 1.00 0.00 H new ATOM 128 N PHE A 9 -36.855 -28.369 -21.421 1.00 0.00 N ATOM 129 CA PHE A 9 -35.942 -28.339 -20.284 1.00 0.00 C ATOM 130 C PHE A 9 -35.319 -26.954 -20.122 1.00 0.00 C ATOM 131 O PHE A 9 -35.442 -26.101 -21.001 1.00 0.00 O ATOM 132 CB PHE A 9 -34.841 -29.387 -20.456 1.00 0.00 C ATOM 133 CG PHE A 9 -34.133 -29.302 -21.778 1.00 0.00 C ATOM 134 CD1 PHE A 9 -33.042 -28.464 -21.942 1.00 0.00 C ATOM 135 CD2 PHE A 9 -34.561 -30.058 -22.859 1.00 0.00 C ATOM 136 CE1 PHE A 9 -32.389 -28.384 -23.158 1.00 0.00 C ATOM 137 CE2 PHE A 9 -33.912 -29.981 -24.076 1.00 0.00 C ATOM 138 CZ PHE A 9 -32.824 -29.142 -24.225 1.00 0.00 C ATOM 0 H PHE A 9 -36.397 -28.313 -22.331 1.00 0.00 H new ATOM 0 HA PHE A 9 -36.515 -28.569 -19.386 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -34.112 -29.271 -19.654 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -35.276 -30.381 -20.349 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -32.698 -27.867 -21.111 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -35.411 -30.714 -22.748 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -31.539 -27.728 -23.272 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -34.254 -30.576 -24.910 1.00 0.00 H new ATOM 0 HZ PHE A 9 -32.315 -29.080 -25.176 1.00 0.00 H new ATOM 148 N ASP A 10 -34.654 -26.740 -18.994 1.00 0.00 N ATOM 149 CA ASP A 10 -34.011 -25.460 -18.716 1.00 0.00 C ATOM 150 C ASP A 10 -32.670 -25.666 -18.017 1.00 0.00 C ATOM 151 O ASP A 10 -32.398 -26.718 -17.441 1.00 0.00 O ATOM 152 CB ASP A 10 -34.921 -24.586 -17.854 1.00 0.00 C ATOM 153 CG ASP A 10 -35.486 -23.405 -18.622 1.00 0.00 C ATOM 154 OD1 ASP A 10 -35.608 -23.507 -19.859 1.00 0.00 O ATOM 155 OD2 ASP A 10 -35.809 -22.383 -17.981 1.00 0.00 O ATOM 0 H ASP A 10 -34.545 -27.436 -18.256 1.00 0.00 H new ATOM 0 HA ASP A 10 -33.831 -24.957 -19.666 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -35.741 -25.191 -17.468 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -34.361 -24.222 -16.993 1.00 0.00 H new ATOM 160 N PRO A 11 -31.812 -24.636 -18.069 1.00 0.00 N ATOM 161 CA PRO A 11 -30.486 -24.679 -17.446 1.00 0.00 C ATOM 162 C PRO A 11 -30.559 -24.668 -15.924 1.00 0.00 C ATOM 163 O PRO A 11 -31.418 -24.008 -15.338 1.00 0.00 O ATOM 164 CB PRO A 11 -29.813 -23.403 -17.958 1.00 0.00 C ATOM 165 CG PRO A 11 -30.939 -22.479 -18.270 1.00 0.00 C ATOM 166 CD PRO A 11 -32.071 -23.350 -18.739 1.00 0.00 C ATOM 0 HA PRO A 11 -29.947 -25.593 -17.697 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -29.148 -22.977 -17.206 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -29.208 -23.602 -18.842 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -31.228 -21.904 -17.390 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -30.654 -21.762 -19.040 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -33.039 -22.937 -18.456 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -32.074 -23.455 -19.824 1.00 0.00 H new ATOM 174 N PHE A 12 -29.655 -25.404 -15.286 1.00 0.00 N ATOM 175 CA PHE A 12 -29.617 -25.478 -13.830 1.00 0.00 C ATOM 176 C PHE A 12 -28.991 -24.220 -13.236 1.00 0.00 C ATOM 177 O PHE A 12 -29.576 -23.575 -12.368 1.00 0.00 O ATOM 178 CB PHE A 12 -28.832 -26.712 -13.383 1.00 0.00 C ATOM 179 CG PHE A 12 -29.108 -27.115 -11.961 1.00 0.00 C ATOM 180 CD1 PHE A 12 -30.340 -27.637 -11.603 1.00 0.00 C ATOM 181 CD2 PHE A 12 -28.135 -26.973 -10.986 1.00 0.00 C ATOM 182 CE1 PHE A 12 -30.596 -28.008 -10.297 1.00 0.00 C ATOM 183 CE2 PHE A 12 -28.384 -27.342 -9.678 1.00 0.00 C ATOM 184 CZ PHE A 12 -29.618 -27.860 -9.333 1.00 0.00 C ATOM 0 H PHE A 12 -28.938 -25.958 -15.755 1.00 0.00 H new ATOM 0 HA PHE A 12 -30.642 -25.556 -13.468 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -29.074 -27.546 -14.042 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -27.766 -26.515 -13.496 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -31.109 -27.755 -12.353 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -27.169 -26.569 -11.251 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -31.561 -28.414 -10.030 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -27.616 -27.226 -8.927 1.00 0.00 H new ATOM 0 HZ PHE A 12 -29.817 -28.149 -8.311 1.00 0.00 H new ATOM 194 N ALA A 13 -27.799 -23.879 -13.712 1.00 0.00 N ATOM 195 CA ALA A 13 -27.094 -22.697 -13.230 1.00 0.00 C ATOM 196 C ALA A 13 -26.757 -22.826 -11.749 1.00 0.00 C ATOM 197 O ALA A 13 -27.283 -23.698 -11.055 1.00 0.00 O ATOM 198 CB ALA A 13 -27.925 -21.448 -13.479 1.00 0.00 C ATOM 0 H ALA A 13 -27.301 -24.404 -14.431 1.00 0.00 H new ATOM 0 HA ALA A 13 -26.158 -22.612 -13.782 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -27.386 -20.574 -13.114 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -28.109 -21.341 -14.548 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -28.876 -21.533 -12.954 1.00 0.00 H new ATOM 204 N ASP A 14 -25.878 -21.952 -11.268 1.00 0.00 N ATOM 205 CA ASP A 14 -25.472 -21.968 -9.867 1.00 0.00 C ATOM 206 C ASP A 14 -24.942 -20.602 -9.441 1.00 0.00 C ATOM 207 O ASP A 14 -25.006 -19.634 -10.199 1.00 0.00 O ATOM 208 CB ASP A 14 -24.406 -23.040 -9.635 1.00 0.00 C ATOM 209 CG ASP A 14 -24.856 -24.101 -8.650 1.00 0.00 C ATOM 210 OD1 ASP A 14 -25.526 -23.743 -7.659 1.00 0.00 O ATOM 211 OD2 ASP A 14 -24.540 -25.288 -8.872 1.00 0.00 O ATOM 0 H ASP A 14 -25.434 -21.224 -11.828 1.00 0.00 H new ATOM 0 HA ASP A 14 -26.348 -22.203 -9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -24.158 -23.513 -10.585 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -23.495 -22.569 -9.266 1.00 0.00 H new ATOM 216 N THR A 15 -24.416 -20.533 -8.222 1.00 0.00 N ATOM 217 CA THR A 15 -23.876 -19.287 -7.693 1.00 0.00 C ATOM 218 C THR A 15 -22.993 -19.542 -6.477 1.00 0.00 C ATOM 219 O THR A 15 -23.003 -20.633 -5.909 1.00 0.00 O ATOM 220 CB THR A 15 -25.000 -18.309 -7.300 1.00 0.00 C ATOM 221 OG1 THR A 15 -24.445 -17.030 -6.972 1.00 0.00 O ATOM 222 CG2 THR A 15 -25.792 -18.843 -6.115 1.00 0.00 C ATOM 0 H THR A 15 -24.353 -21.325 -7.583 1.00 0.00 H new ATOM 0 HA THR A 15 -23.277 -18.841 -8.487 1.00 0.00 H new ATOM 0 HB THR A 15 -25.674 -18.204 -8.150 1.00 0.00 H new ATOM 0 HG1 THR A 15 -25.166 -16.414 -6.725 1.00 0.00 H new ATOM 0 HG21 THR A 15 -26.580 -18.136 -5.856 1.00 0.00 H new ATOM 0 HG22 THR A 15 -26.238 -19.802 -6.378 1.00 0.00 H new ATOM 0 HG23 THR A 15 -25.126 -18.974 -5.262 1.00 0.00 H new ATOM 230 N GLY A 16 -22.228 -18.529 -6.083 1.00 0.00 N ATOM 231 CA GLY A 16 -21.348 -18.665 -4.937 1.00 0.00 C ATOM 232 C GLY A 16 -20.642 -17.369 -4.592 1.00 0.00 C ATOM 233 O GLY A 16 -20.161 -16.661 -5.477 1.00 0.00 O ATOM 0 H GLY A 16 -22.202 -17.616 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -21.927 -19.000 -4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -20.606 -19.436 -5.142 1.00 0.00 H new ATOM 237 N ASP A 17 -20.580 -17.057 -3.301 1.00 0.00 N ATOM 238 CA ASP A 17 -19.928 -15.836 -2.841 1.00 0.00 C ATOM 239 C ASP A 17 -19.870 -15.792 -1.317 1.00 0.00 C ATOM 240 O ASP A 17 -20.586 -16.530 -0.638 1.00 0.00 O ATOM 241 CB ASP A 17 -20.665 -14.607 -3.371 1.00 0.00 C ATOM 242 CG ASP A 17 -19.757 -13.400 -3.508 1.00 0.00 C ATOM 243 OD1 ASP A 17 -18.585 -13.582 -3.900 1.00 0.00 O ATOM 244 OD2 ASP A 17 -20.217 -12.275 -3.223 1.00 0.00 O ATOM 0 H ASP A 17 -20.973 -17.632 -2.556 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.908 -15.832 -3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -21.103 -14.840 -4.342 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -21.489 -14.364 -2.700 1.00 0.00 H new ATOM 249 N ASP A 18 -19.016 -14.924 -0.787 1.00 0.00 N ATOM 250 CA ASP A 18 -18.865 -14.784 0.656 1.00 0.00 C ATOM 251 C ASP A 18 -17.854 -13.694 0.994 1.00 0.00 C ATOM 252 O ASP A 18 -17.233 -13.113 0.104 1.00 0.00 O ATOM 253 CB ASP A 18 -18.430 -16.113 1.277 1.00 0.00 C ATOM 254 CG ASP A 18 -19.361 -16.568 2.384 1.00 0.00 C ATOM 255 OD1 ASP A 18 -20.586 -16.605 2.151 1.00 0.00 O ATOM 256 OD2 ASP A 18 -18.862 -16.887 3.484 1.00 0.00 O ATOM 0 H ASP A 18 -18.417 -14.306 -1.335 1.00 0.00 H new ATOM 0 HA ASP A 18 -19.831 -14.498 1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -18.392 -16.878 0.501 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.420 -16.012 1.674 1.00 0.00 H new ATOM 261 N GLU A 19 -17.692 -13.422 2.286 1.00 0.00 N ATOM 262 CA GLU A 19 -16.757 -12.401 2.739 1.00 0.00 C ATOM 263 C GLU A 19 -15.900 -12.920 3.892 1.00 0.00 C ATOM 264 O GLU A 19 -16.374 -13.058 5.020 1.00 0.00 O ATOM 265 CB GLU A 19 -17.511 -11.144 3.177 1.00 0.00 C ATOM 266 CG GLU A 19 -16.607 -9.956 3.454 1.00 0.00 C ATOM 267 CD GLU A 19 -17.378 -8.662 3.623 1.00 0.00 C ATOM 268 OE1 GLU A 19 -18.558 -8.723 4.031 1.00 0.00 O ATOM 269 OE2 GLU A 19 -16.804 -7.587 3.348 1.00 0.00 O ATOM 0 H GLU A 19 -18.196 -13.895 3.036 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.102 -12.151 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.227 -10.872 2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.085 -11.370 4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.026 -10.149 4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.896 -9.847 2.635 1.00 0.00 H new ATOM 276 N THR A 20 -14.637 -13.208 3.599 1.00 0.00 N ATOM 277 CA THR A 20 -13.714 -13.712 4.608 1.00 0.00 C ATOM 278 C THR A 20 -13.024 -12.570 5.345 1.00 0.00 C ATOM 279 O THR A 20 -12.687 -12.692 6.522 1.00 0.00 O ATOM 280 CB THR A 20 -12.642 -14.626 3.983 1.00 0.00 C ATOM 281 OG1 THR A 20 -11.779 -13.858 3.136 1.00 0.00 O ATOM 282 CG2 THR A 20 -13.286 -15.745 3.178 1.00 0.00 C ATOM 0 H THR A 20 -14.229 -13.101 2.670 1.00 0.00 H new ATOM 0 HA THR A 20 -14.307 -14.290 5.316 1.00 0.00 H new ATOM 0 HB THR A 20 -12.059 -15.070 4.790 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.099 -14.445 2.743 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.509 -16.377 2.747 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.920 -16.345 3.831 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.891 -15.317 2.379 1.00 0.00 H new ATOM 290 N ALA A 21 -12.820 -11.459 4.644 1.00 0.00 N ATOM 291 CA ALA A 21 -12.173 -10.292 5.234 1.00 0.00 C ATOM 292 C ALA A 21 -10.749 -10.617 5.672 1.00 0.00 C ATOM 293 O ALA A 21 -10.278 -11.743 5.505 1.00 0.00 O ATOM 294 CB ALA A 21 -12.986 -9.779 6.414 1.00 0.00 C ATOM 0 H ALA A 21 -13.093 -11.342 3.668 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.122 -9.512 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.492 -8.908 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.983 -9.500 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.066 -10.561 7.169 1.00 0.00 H new ATOM 300 N THR A 22 -10.066 -9.623 6.230 1.00 0.00 N ATOM 301 CA THR A 22 -8.694 -9.803 6.690 1.00 0.00 C ATOM 302 C THR A 22 -8.263 -8.654 7.596 1.00 0.00 C ATOM 303 O THR A 22 -9.064 -7.785 7.935 1.00 0.00 O ATOM 304 CB THR A 22 -7.714 -9.904 5.506 1.00 0.00 C ATOM 305 OG1 THR A 22 -8.430 -9.823 4.269 1.00 0.00 O ATOM 306 CG2 THR A 22 -6.933 -11.209 5.561 1.00 0.00 C ATOM 0 H THR A 22 -10.440 -8.685 6.375 1.00 0.00 H new ATOM 0 HA THR A 22 -8.669 -10.736 7.254 1.00 0.00 H new ATOM 0 HB THR A 22 -7.011 -9.074 5.573 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.881 -10.196 3.548 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.247 -11.259 4.715 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.366 -11.255 6.491 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.625 -12.050 5.516 1.00 0.00 H new ATOM 314 N SER A 23 -6.991 -8.658 7.982 1.00 0.00 N ATOM 315 CA SER A 23 -6.454 -7.617 8.850 1.00 0.00 C ATOM 316 C SER A 23 -5.710 -6.562 8.038 1.00 0.00 C ATOM 317 O SER A 23 -5.750 -6.566 6.809 1.00 0.00 O ATOM 318 CB SER A 23 -5.517 -8.228 9.894 1.00 0.00 C ATOM 319 OG SER A 23 -5.522 -7.468 11.091 1.00 0.00 O ATOM 0 H SER A 23 -6.314 -9.370 7.708 1.00 0.00 H new ATOM 0 HA SER A 23 -7.289 -7.136 9.359 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.824 -9.252 10.108 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.504 -8.276 9.494 1.00 0.00 H new ATOM 0 HG SER A 23 -4.917 -7.880 11.743 1.00 0.00 H new ATOM 325 N ASN A 24 -5.030 -5.657 8.736 1.00 0.00 N ATOM 326 CA ASN A 24 -4.277 -4.594 8.080 1.00 0.00 C ATOM 327 C ASN A 24 -3.351 -5.164 7.011 1.00 0.00 C ATOM 328 O ASN A 24 -2.527 -6.036 7.289 1.00 0.00 O ATOM 329 CB ASN A 24 -3.463 -3.808 9.110 1.00 0.00 C ATOM 330 CG ASN A 24 -2.634 -4.710 10.003 1.00 0.00 C ATOM 331 OD1 ASN A 24 -3.124 -5.230 11.005 1.00 0.00 O ATOM 332 ND2 ASN A 24 -1.371 -4.900 9.643 1.00 0.00 N ATOM 0 H ASN A 24 -4.985 -5.639 9.755 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.988 -3.922 7.599 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.805 -3.110 8.593 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.138 -3.213 9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.765 -5.497 10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.006 -4.449 8.804 1.00 0.00 H new ATOM 339 N TYR A 25 -3.490 -4.666 5.789 1.00 0.00 N ATOM 340 CA TYR A 25 -2.667 -5.126 4.676 1.00 0.00 C ATOM 341 C TYR A 25 -1.414 -4.267 4.533 1.00 0.00 C ATOM 342 O TYR A 25 -0.395 -4.719 4.010 1.00 0.00 O ATOM 343 CB TYR A 25 -3.470 -5.099 3.374 1.00 0.00 C ATOM 344 CG TYR A 25 -3.900 -6.467 2.898 1.00 0.00 C ATOM 345 CD1 TYR A 25 -5.100 -7.027 3.321 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.107 -7.202 2.025 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.496 -8.277 2.889 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.496 -8.453 1.588 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.692 -8.987 2.022 1.00 0.00 C ATOM 350 OH TYR A 25 -5.083 -10.232 1.590 1.00 0.00 O ATOM 0 H TYR A 25 -4.166 -3.943 5.543 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.360 -6.151 4.884 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.355 -4.479 3.516 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.870 -4.626 2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.733 -6.475 3.999 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.170 -6.788 1.682 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.431 -8.697 3.228 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.867 -9.011 0.910 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.405 -10.596 0.983 1.00 0.00 H new ATOM 360 N ILE A 26 -1.500 -3.027 5.001 1.00 0.00 N ATOM 361 CA ILE A 26 -0.374 -2.104 4.928 1.00 0.00 C ATOM 362 C ILE A 26 -0.374 -1.141 6.110 1.00 0.00 C ATOM 363 O ILE A 26 -1.341 -0.409 6.328 1.00 0.00 O ATOM 364 CB ILE A 26 -0.394 -1.294 3.618 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.806 -0.775 3.336 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.103 -2.144 2.460 1.00 0.00 C ATOM 367 CD1 ILE A 26 -2.632 -1.706 2.477 1.00 0.00 C ATOM 0 H ILE A 26 -2.337 -2.638 5.435 1.00 0.00 H new ATOM 0 HA ILE A 26 0.532 -2.709 4.957 1.00 0.00 H new ATOM 0 HB ILE A 26 0.274 -0.439 3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.321 -0.615 4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.736 0.195 2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.082 -1.556 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.124 -2.470 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.540 -3.017 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.620 -1.274 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.139 -1.847 1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.733 -2.669 2.977 1.00 0.00 H new ATOM 379 N HIS A 27 0.716 -1.143 6.869 1.00 0.00 N ATOM 380 CA HIS A 27 0.844 -0.266 8.028 1.00 0.00 C ATOM 381 C HIS A 27 1.660 0.976 7.683 1.00 0.00 C ATOM 382 O HIS A 27 2.691 0.887 7.017 1.00 0.00 O ATOM 383 CB HIS A 27 1.497 -1.014 9.191 1.00 0.00 C ATOM 384 CG HIS A 27 1.834 -0.134 10.354 1.00 0.00 C ATOM 385 ND1 HIS A 27 2.942 0.687 10.381 1.00 0.00 N ATOM 386 CD2 HIS A 27 1.203 0.051 11.537 1.00 0.00 C ATOM 387 CE1 HIS A 27 2.977 1.338 11.529 1.00 0.00 C ATOM 388 NE2 HIS A 27 1.932 0.970 12.249 1.00 0.00 N ATOM 0 H HIS A 27 1.524 -1.742 6.703 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.156 0.050 8.325 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.826 -1.805 9.526 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.407 -1.498 8.836 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.294 -0.435 11.861 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.732 2.050 11.829 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.704 1.313 13.182 1.00 0.00 H new ATOM 396 N ILE A 28 1.190 2.131 8.140 1.00 0.00 N ATOM 397 CA ILE A 28 1.876 3.392 7.880 1.00 0.00 C ATOM 398 C ILE A 28 1.777 4.329 9.079 1.00 0.00 C ATOM 399 O ILE A 28 0.700 4.825 9.403 1.00 0.00 O ATOM 400 CB ILE A 28 1.303 4.100 6.639 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.802 3.071 5.623 1.00 0.00 C ATOM 402 CG2 ILE A 28 2.352 5.005 6.013 1.00 0.00 C ATOM 403 CD1 ILE A 28 0.294 3.688 4.340 1.00 0.00 C ATOM 0 H ILE A 28 0.337 2.221 8.692 1.00 0.00 H new ATOM 0 HA ILE A 28 2.923 3.150 7.697 1.00 0.00 H new ATOM 0 HB ILE A 28 0.459 4.717 6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.611 2.380 5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.003 2.484 6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.931 5.498 5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.663 5.757 6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.215 4.410 5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.045 2.901 3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.537 4.358 4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.097 4.251 3.864 1.00 0.00 H new ATOM 415 N ARG A 29 2.910 4.568 9.732 1.00 0.00 N ATOM 416 CA ARG A 29 2.952 5.447 10.894 1.00 0.00 C ATOM 417 C ARG A 29 3.810 6.677 10.614 1.00 0.00 C ATOM 418 O ARG A 29 5.038 6.595 10.587 1.00 0.00 O ATOM 419 CB ARG A 29 3.499 4.695 12.109 1.00 0.00 C ATOM 420 CG ARG A 29 3.782 5.592 13.303 1.00 0.00 C ATOM 421 CD ARG A 29 4.068 4.778 14.556 1.00 0.00 C ATOM 422 NE ARG A 29 5.468 4.373 14.636 1.00 0.00 N ATOM 423 CZ ARG A 29 5.933 3.508 15.532 1.00 0.00 C ATOM 424 NH1 ARG A 29 5.112 2.959 16.417 1.00 0.00 N ATOM 425 NH2 ARG A 29 7.221 3.189 15.542 1.00 0.00 N ATOM 0 H ARG A 29 3.811 4.165 9.476 1.00 0.00 H new ATOM 0 HA ARG A 29 1.935 5.776 11.107 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.783 3.928 12.403 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.418 4.182 11.825 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.634 6.235 13.083 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.927 6.245 13.479 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.809 5.365 15.437 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.433 3.892 14.566 1.00 0.00 H new ATOM 0 HE ARG A 29 6.125 4.776 13.968 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.121 3.200 16.411 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.472 2.296 17.103 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.855 3.608 14.862 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.577 2.525 16.230 1.00 0.00 H new ATOM 439 N ILE A 30 3.155 7.814 10.408 1.00 0.00 N ATOM 440 CA ILE A 30 3.858 9.061 10.131 1.00 0.00 C ATOM 441 C ILE A 30 4.266 9.759 11.425 1.00 0.00 C ATOM 442 O ILE A 30 3.572 9.669 12.435 1.00 0.00 O ATOM 443 CB ILE A 30 2.993 10.021 9.293 1.00 0.00 C ATOM 444 CG1 ILE A 30 3.825 11.219 8.830 1.00 0.00 C ATOM 445 CG2 ILE A 30 1.788 10.486 10.097 1.00 0.00 C ATOM 446 CD1 ILE A 30 3.462 11.707 7.445 1.00 0.00 C ATOM 0 H ILE A 30 2.139 7.898 10.428 1.00 0.00 H new ATOM 0 HA ILE A 30 4.751 8.802 9.563 1.00 0.00 H new ATOM 0 HB ILE A 30 2.635 9.489 8.412 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.697 12.036 9.540 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.880 10.946 8.845 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.186 11.164 9.492 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.186 9.623 10.383 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.127 11.005 10.994 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.091 12.557 7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.617 10.904 6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.416 12.011 7.429 1.00 0.00 H new ATOM 458 N GLN A 31 5.396 10.458 11.380 1.00 0.00 N ATOM 459 CA GLN A 31 5.897 11.174 12.549 1.00 0.00 C ATOM 460 C GLN A 31 6.581 12.474 12.139 1.00 0.00 C ATOM 461 O GLN A 31 7.591 12.458 11.435 1.00 0.00 O ATOM 462 CB GLN A 31 6.873 10.294 13.332 1.00 0.00 C ATOM 463 CG GLN A 31 7.974 9.693 12.472 1.00 0.00 C ATOM 464 CD GLN A 31 7.916 8.179 12.426 1.00 0.00 C ATOM 465 OE1 GLN A 31 7.860 7.583 11.350 1.00 0.00 O ATOM 466 NE2 GLN A 31 7.929 7.548 13.595 1.00 0.00 N ATOM 0 H GLN A 31 5.981 10.544 10.549 1.00 0.00 H new ATOM 0 HA GLN A 31 5.047 11.418 13.187 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.326 10.887 14.127 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.318 9.488 13.812 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.895 10.087 11.459 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.944 10.004 12.860 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.976 8.082 14.463 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.892 6.529 13.625 1.00 0.00 H new ATOM 475 N GLN A 32 6.024 13.595 12.583 1.00 0.00 N ATOM 476 CA GLN A 32 6.580 14.904 12.261 1.00 0.00 C ATOM 477 C GLN A 32 7.275 15.513 13.476 1.00 0.00 C ATOM 478 O GLN A 32 6.777 15.424 14.597 1.00 0.00 O ATOM 479 CB GLN A 32 5.479 15.841 11.764 1.00 0.00 C ATOM 480 CG GLN A 32 4.285 15.931 12.702 1.00 0.00 C ATOM 481 CD GLN A 32 2.994 15.480 12.047 1.00 0.00 C ATOM 482 OE1 GLN A 32 2.900 14.361 11.540 1.00 0.00 O ATOM 483 NE2 GLN A 32 1.992 16.349 12.053 1.00 0.00 N ATOM 0 H GLN A 32 5.188 13.624 13.167 1.00 0.00 H new ATOM 0 HA GLN A 32 7.319 14.773 11.470 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.897 16.838 11.626 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.137 15.500 10.787 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.474 15.319 13.584 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.174 16.960 13.045 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.114 17.265 12.484 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.099 16.101 11.626 1.00 0.00 H new ATOM 492 N ARG A 33 8.426 16.135 13.242 1.00 0.00 N ATOM 493 CA ARG A 33 9.189 16.759 14.316 1.00 0.00 C ATOM 494 C ARG A 33 9.411 18.242 14.034 1.00 0.00 C ATOM 495 O ARG A 33 9.111 18.728 12.946 1.00 0.00 O ATOM 496 CB ARG A 33 10.535 16.053 14.490 1.00 0.00 C ATOM 497 CG ARG A 33 10.851 15.692 15.932 1.00 0.00 C ATOM 498 CD ARG A 33 10.279 14.332 16.303 1.00 0.00 C ATOM 499 NE ARG A 33 11.240 13.254 16.083 1.00 0.00 N ATOM 500 CZ ARG A 33 12.284 13.029 16.872 1.00 0.00 C ATOM 501 NH1 ARG A 33 12.500 13.800 17.929 1.00 0.00 N ATOM 502 NH2 ARG A 33 13.115 12.029 16.606 1.00 0.00 N ATOM 0 H ARG A 33 8.850 16.220 12.318 1.00 0.00 H new ATOM 0 HA ARG A 33 8.616 16.665 15.238 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.540 15.145 13.887 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.326 16.696 14.104 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.931 15.686 16.079 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.443 16.453 16.597 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.977 14.340 17.350 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.382 14.143 15.714 1.00 0.00 H new ATOM 0 HE ARG A 33 11.102 12.641 15.280 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.863 14.569 18.138 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.303 13.624 18.533 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.952 11.432 15.795 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.917 11.857 17.213 1.00 0.00 H new ATOM 516 N ASN A 34 9.941 18.954 15.025 1.00 0.00 N ATOM 517 CA ASN A 34 10.204 20.381 14.883 1.00 0.00 C ATOM 518 C ASN A 34 11.209 20.642 13.765 1.00 0.00 C ATOM 519 O ASN A 34 12.411 20.461 13.943 1.00 0.00 O ATOM 520 CB ASN A 34 10.729 20.956 16.200 1.00 0.00 C ATOM 521 CG ASN A 34 10.757 22.474 16.198 1.00 0.00 C ATOM 522 OD1 ASN A 34 11.772 23.085 15.867 1.00 0.00 O ATOM 523 ND2 ASN A 34 9.639 23.087 16.568 1.00 0.00 N ATOM 0 H ASN A 34 10.196 18.566 15.933 1.00 0.00 H new ATOM 0 HA ASN A 34 9.266 20.874 14.626 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.102 20.608 17.021 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.734 20.577 16.384 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.598 24.106 16.586 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.821 22.539 16.834 1.00 0.00 H new ATOM 530 N GLY A 35 10.704 21.069 12.612 1.00 0.00 N ATOM 531 CA GLY A 35 11.571 21.348 11.482 1.00 0.00 C ATOM 532 C GLY A 35 10.883 21.110 10.152 1.00 0.00 C ATOM 533 O GLY A 35 9.660 20.984 10.090 1.00 0.00 O ATOM 0 H GLY A 35 9.711 21.227 12.440 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.908 22.383 11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.460 20.720 11.546 1.00 0.00 H new ATOM 537 N ARG A 36 11.671 21.049 9.083 1.00 0.00 N ATOM 538 CA ARG A 36 11.132 20.827 7.748 1.00 0.00 C ATOM 539 C ARG A 36 11.236 19.356 7.356 1.00 0.00 C ATOM 540 O ARG A 36 10.454 18.861 6.545 1.00 0.00 O ATOM 541 CB ARG A 36 11.872 21.692 6.725 1.00 0.00 C ATOM 542 CG ARG A 36 13.377 21.476 6.720 1.00 0.00 C ATOM 543 CD ARG A 36 13.909 21.277 5.310 1.00 0.00 C ATOM 544 NE ARG A 36 15.295 20.823 5.306 1.00 0.00 N ATOM 545 CZ ARG A 36 16.087 20.887 4.242 1.00 0.00 C ATOM 546 NH1 ARG A 36 15.631 21.384 3.101 1.00 0.00 N ATOM 547 NH2 ARG A 36 17.339 20.454 4.317 1.00 0.00 N ATOM 0 H ARG A 36 12.685 21.150 9.117 1.00 0.00 H new ATOM 0 HA ARG A 36 10.079 21.109 7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.480 21.480 5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.665 22.742 6.932 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.870 22.334 7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.622 20.605 7.328 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.288 20.549 4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.833 22.214 4.759 1.00 0.00 H new ATOM 0 HE ARG A 36 15.677 20.435 6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.669 21.719 3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.242 21.432 2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.695 20.071 5.193 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.946 20.504 3.499 1.00 0.00 H new ATOM 561 N LYS A 37 12.209 18.662 7.937 1.00 0.00 N ATOM 562 CA LYS A 37 12.417 17.248 7.652 1.00 0.00 C ATOM 563 C LYS A 37 11.145 16.447 7.915 1.00 0.00 C ATOM 564 O LYS A 37 10.312 16.836 8.733 1.00 0.00 O ATOM 565 CB LYS A 37 13.564 16.697 8.502 1.00 0.00 C ATOM 566 CG LYS A 37 14.940 17.095 7.998 1.00 0.00 C ATOM 567 CD LYS A 37 16.039 16.586 8.915 1.00 0.00 C ATOM 568 CE LYS A 37 17.320 17.388 8.749 1.00 0.00 C ATOM 569 NZ LYS A 37 18.502 16.509 8.534 1.00 0.00 N ATOM 0 H LYS A 37 12.867 19.057 8.609 1.00 0.00 H new ATOM 0 HA LYS A 37 12.676 17.151 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.446 17.048 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.496 15.609 8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.090 16.698 6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.001 18.181 7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.705 16.643 9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.236 15.536 8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.215 18.068 7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.481 18.002 9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.355 17.094 8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.618 15.877 9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.360 15.941 7.674 1.00 0.00 H new ATOM 583 N THR A 38 11.003 15.324 7.216 1.00 0.00 N ATOM 584 CA THR A 38 9.834 14.468 7.374 1.00 0.00 C ATOM 585 C THR A 38 10.236 13.000 7.461 1.00 0.00 C ATOM 586 O THR A 38 11.172 12.561 6.793 1.00 0.00 O ATOM 587 CB THR A 38 8.844 14.650 6.209 1.00 0.00 C ATOM 588 OG1 THR A 38 8.692 16.041 5.906 1.00 0.00 O ATOM 589 CG2 THR A 38 7.488 14.051 6.553 1.00 0.00 C ATOM 0 H THR A 38 11.684 14.987 6.535 1.00 0.00 H new ATOM 0 HA THR A 38 9.348 14.764 8.303 1.00 0.00 H new ATOM 0 HB THR A 38 9.244 14.131 5.338 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.062 16.147 5.163 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.805 14.192 5.715 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.601 12.986 6.754 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.085 14.546 7.436 1.00 0.00 H new ATOM 597 N LEU A 39 9.521 12.244 8.288 1.00 0.00 N ATOM 598 CA LEU A 39 9.801 10.824 8.462 1.00 0.00 C ATOM 599 C LEU A 39 8.511 10.011 8.476 1.00 0.00 C ATOM 600 O LEU A 39 7.504 10.432 9.047 1.00 0.00 O ATOM 601 CB LEU A 39 10.577 10.593 9.760 1.00 0.00 C ATOM 602 CG LEU A 39 11.778 11.509 9.998 1.00 0.00 C ATOM 603 CD1 LEU A 39 12.254 11.403 11.438 1.00 0.00 C ATOM 604 CD2 LEU A 39 12.905 11.170 9.035 1.00 0.00 C ATOM 0 H LEU A 39 8.743 12.592 8.848 1.00 0.00 H new ATOM 0 HA LEU A 39 10.407 10.493 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.888 10.707 10.597 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.925 9.560 9.772 1.00 0.00 H new ATOM 0 HG LEU A 39 11.468 12.538 9.815 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.109 12.062 11.588 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.448 11.696 12.110 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.547 10.375 11.650 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.752 11.832 9.218 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.214 10.135 9.186 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.559 11.300 8.010 1.00 0.00 H new ATOM 616 N THR A 40 8.547 8.841 7.844 1.00 0.00 N ATOM 617 CA THR A 40 7.381 7.970 7.783 1.00 0.00 C ATOM 618 C THR A 40 7.793 6.502 7.762 1.00 0.00 C ATOM 619 O THR A 40 8.679 6.105 7.003 1.00 0.00 O ATOM 620 CB THR A 40 6.520 8.268 6.542 1.00 0.00 C ATOM 621 OG1 THR A 40 6.064 9.625 6.576 1.00 0.00 O ATOM 622 CG2 THR A 40 5.325 7.328 6.474 1.00 0.00 C ATOM 0 H THR A 40 9.372 8.476 7.368 1.00 0.00 H new ATOM 0 HA THR A 40 6.792 8.167 8.679 1.00 0.00 H new ATOM 0 HB THR A 40 7.135 8.114 5.655 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.956 9.957 5.660 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.731 7.558 5.589 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.675 6.297 6.419 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.711 7.455 7.366 1.00 0.00 H new ATOM 630 N THR A 41 7.146 5.698 8.600 1.00 0.00 N ATOM 631 CA THR A 41 7.446 4.274 8.676 1.00 0.00 C ATOM 632 C THR A 41 6.388 3.450 7.952 1.00 0.00 C ATOM 633 O THR A 41 5.235 3.864 7.836 1.00 0.00 O ATOM 634 CB THR A 41 7.539 3.797 10.139 1.00 0.00 C ATOM 635 OG1 THR A 41 6.519 4.425 10.924 1.00 0.00 O ATOM 636 CG2 THR A 41 8.907 4.115 10.725 1.00 0.00 C ATOM 0 H THR A 41 6.411 6.009 9.235 1.00 0.00 H new ATOM 0 HA THR A 41 8.411 4.128 8.191 1.00 0.00 H new ATOM 0 HB THR A 41 7.396 2.717 10.157 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.765 4.668 10.347 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.950 3.769 11.758 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.678 3.612 10.142 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.074 5.192 10.695 1.00 0.00 H new ATOM 644 N VAL A 42 6.788 2.278 7.466 1.00 0.00 N ATOM 645 CA VAL A 42 5.873 1.394 6.754 1.00 0.00 C ATOM 646 C VAL A 42 6.184 -0.070 7.046 1.00 0.00 C ATOM 647 O VAL A 42 7.334 -0.431 7.300 1.00 0.00 O ATOM 648 CB VAL A 42 5.938 1.627 5.232 1.00 0.00 C ATOM 649 CG1 VAL A 42 4.852 0.832 4.524 1.00 0.00 C ATOM 650 CG2 VAL A 42 5.817 3.111 4.915 1.00 0.00 C ATOM 0 H VAL A 42 7.739 1.920 7.553 1.00 0.00 H new ATOM 0 HA VAL A 42 4.869 1.627 7.108 1.00 0.00 H new ATOM 0 HB VAL A 42 6.905 1.279 4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.913 1.009 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.989 -0.230 4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.874 1.147 4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.865 3.258 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.865 3.487 5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.634 3.653 5.391 1.00 0.00 H new ATOM 660 N GLN A 43 5.153 -0.907 7.008 1.00 0.00 N ATOM 661 CA GLN A 43 5.317 -2.332 7.270 1.00 0.00 C ATOM 662 C GLN A 43 4.319 -3.152 6.460 1.00 0.00 C ATOM 663 O GLN A 43 3.345 -2.618 5.930 1.00 0.00 O ATOM 664 CB GLN A 43 5.142 -2.622 8.761 1.00 0.00 C ATOM 665 CG GLN A 43 5.687 -3.976 9.187 1.00 0.00 C ATOM 666 CD GLN A 43 4.599 -5.020 9.344 1.00 0.00 C ATOM 667 OE1 GLN A 43 3.468 -4.827 8.900 1.00 0.00 O ATOM 668 NE2 GLN A 43 4.939 -6.135 9.981 1.00 0.00 N ATOM 0 H GLN A 43 4.196 -0.624 6.799 1.00 0.00 H new ATOM 0 HA GLN A 43 6.325 -2.618 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.642 -1.842 9.335 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.082 -2.572 9.010 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.412 -4.320 8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.220 -3.868 10.131 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.889 -6.252 10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.250 -6.874 10.119 1.00 0.00 H new ATOM 677 N GLY A 44 4.568 -4.455 6.368 1.00 0.00 N ATOM 678 CA GLY A 44 3.681 -5.328 5.621 1.00 0.00 C ATOM 679 C GLY A 44 4.264 -5.739 4.282 1.00 0.00 C ATOM 680 O GLY A 44 3.575 -6.329 3.451 1.00 0.00 O ATOM 0 H GLY A 44 5.367 -4.921 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.472 -6.220 6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.729 -4.822 5.459 1.00 0.00 H new ATOM 684 N VAL A 45 5.538 -5.424 4.072 1.00 0.00 N ATOM 685 CA VAL A 45 6.215 -5.762 2.824 1.00 0.00 C ATOM 686 C VAL A 45 6.313 -7.273 2.646 1.00 0.00 C ATOM 687 O VAL A 45 6.684 -8.009 3.560 1.00 0.00 O ATOM 688 CB VAL A 45 7.630 -5.157 2.772 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.306 -5.496 1.452 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.574 -3.651 2.981 1.00 0.00 C ATOM 0 H VAL A 45 6.123 -4.935 4.750 1.00 0.00 H new ATOM 0 HA VAL A 45 5.618 -5.341 2.015 1.00 0.00 H new ATOM 0 HB VAL A 45 8.222 -5.590 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.305 -5.060 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.380 -6.579 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.718 -5.092 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.583 -3.240 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.966 -3.197 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.133 -3.435 3.954 1.00 0.00 H new ATOM 700 N PRO A 46 5.972 -7.750 1.439 1.00 0.00 N ATOM 701 CA PRO A 46 6.014 -9.178 1.111 1.00 0.00 C ATOM 702 C PRO A 46 7.440 -9.711 1.028 1.00 0.00 C ATOM 703 O PRO A 46 8.402 -8.959 1.177 1.00 0.00 O ATOM 704 CB PRO A 46 5.335 -9.246 -0.260 1.00 0.00 C ATOM 705 CG PRO A 46 5.540 -7.894 -0.851 1.00 0.00 C ATOM 706 CD PRO A 46 5.520 -6.930 0.302 1.00 0.00 C ATOM 0 HA PRO A 46 5.528 -9.787 1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.779 -10.022 -0.884 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.275 -9.480 -0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.488 -7.842 -1.387 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.755 -7.659 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.183 -6.082 0.129 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.522 -6.525 0.470 1.00 0.00 H new ATOM 714 N GLU A 47 7.566 -11.013 0.788 1.00 0.00 N ATOM 715 CA GLU A 47 8.875 -11.645 0.684 1.00 0.00 C ATOM 716 C GLU A 47 9.546 -11.297 -0.641 1.00 0.00 C ATOM 717 O GLU A 47 10.770 -11.216 -0.726 1.00 0.00 O ATOM 718 CB GLU A 47 8.745 -13.163 0.819 1.00 0.00 C ATOM 719 CG GLU A 47 9.959 -13.826 1.447 1.00 0.00 C ATOM 720 CD GLU A 47 9.888 -13.856 2.962 1.00 0.00 C ATOM 721 OE1 GLU A 47 10.348 -12.883 3.596 1.00 0.00 O ATOM 722 OE2 GLU A 47 9.373 -14.850 3.514 1.00 0.00 O ATOM 0 H GLU A 47 6.778 -11.649 0.662 1.00 0.00 H new ATOM 0 HA GLU A 47 9.497 -11.267 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.865 -13.391 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.577 -13.594 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.047 -14.845 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.859 -13.294 1.139 1.00 0.00 H new ATOM 729 N GLU A 48 8.733 -11.092 -1.673 1.00 0.00 N ATOM 730 CA GLU A 48 9.248 -10.754 -2.996 1.00 0.00 C ATOM 731 C GLU A 48 10.046 -9.455 -2.951 1.00 0.00 C ATOM 732 O GLU A 48 10.829 -9.165 -3.857 1.00 0.00 O ATOM 733 CB GLU A 48 8.098 -10.625 -3.996 1.00 0.00 C ATOM 734 CG GLU A 48 8.156 -11.641 -5.123 1.00 0.00 C ATOM 735 CD GLU A 48 6.806 -11.862 -5.780 1.00 0.00 C ATOM 736 OE1 GLU A 48 6.448 -11.074 -6.680 1.00 0.00 O ATOM 737 OE2 GLU A 48 6.109 -12.825 -5.395 1.00 0.00 O ATOM 0 H GLU A 48 7.716 -11.154 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 48 9.911 -11.557 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.152 -10.737 -3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.108 -9.622 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.871 -11.304 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.526 -12.589 -4.733 1.00 0.00 H new ATOM 744 N TYR A 49 9.843 -8.677 -1.894 1.00 0.00 N ATOM 745 CA TYR A 49 10.542 -7.408 -1.733 1.00 0.00 C ATOM 746 C TYR A 49 11.217 -7.327 -0.368 1.00 0.00 C ATOM 747 O TYR A 49 10.559 -7.119 0.651 1.00 0.00 O ATOM 748 CB TYR A 49 9.568 -6.241 -1.903 1.00 0.00 C ATOM 749 CG TYR A 49 10.150 -5.074 -2.668 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.713 -5.254 -3.925 1.00 0.00 C ATOM 751 CD2 TYR A 49 10.135 -3.791 -2.136 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.247 -4.190 -4.628 1.00 0.00 C ATOM 753 CE2 TYR A 49 10.664 -2.722 -2.833 1.00 0.00 C ATOM 754 CZ TYR A 49 11.220 -2.926 -4.078 1.00 0.00 C ATOM 755 OH TYR A 49 11.749 -1.865 -4.774 1.00 0.00 O ATOM 0 H TYR A 49 9.200 -8.903 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 49 11.312 -7.346 -2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.676 -6.595 -2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.250 -5.897 -0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.734 -6.242 -4.361 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.702 -3.626 -1.160 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.683 -4.348 -5.603 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.642 -1.731 -2.405 1.00 0.00 H new ATOM 0 HH TYR A 49 11.444 -1.025 -4.372 1.00 0.00 H new ATOM 765 N ASP A 50 12.535 -7.491 -0.357 1.00 0.00 N ATOM 766 CA ASP A 50 13.302 -7.436 0.882 1.00 0.00 C ATOM 767 C ASP A 50 13.676 -5.998 1.227 1.00 0.00 C ATOM 768 O ASP A 50 13.351 -5.067 0.488 1.00 0.00 O ATOM 769 CB ASP A 50 14.567 -8.291 0.765 1.00 0.00 C ATOM 770 CG ASP A 50 14.256 -9.766 0.613 1.00 0.00 C ATOM 771 OD1 ASP A 50 13.868 -10.397 1.620 1.00 0.00 O ATOM 772 OD2 ASP A 50 14.402 -10.291 -0.511 1.00 0.00 O ATOM 0 H ASP A 50 13.095 -7.663 -1.192 1.00 0.00 H new ATOM 0 HA ASP A 50 12.678 -7.833 1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.151 -7.956 -0.092 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.186 -8.142 1.650 1.00 0.00 H new ATOM 777 N LEU A 51 14.359 -5.823 2.352 1.00 0.00 N ATOM 778 CA LEU A 51 14.775 -4.496 2.795 1.00 0.00 C ATOM 779 C LEU A 51 15.886 -3.949 1.905 1.00 0.00 C ATOM 780 O LEU A 51 16.063 -2.736 1.787 1.00 0.00 O ATOM 781 CB LEU A 51 15.250 -4.548 4.248 1.00 0.00 C ATOM 782 CG LEU A 51 14.240 -4.087 5.301 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.876 -2.626 5.087 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.995 -4.960 5.264 1.00 0.00 C ATOM 0 H LEU A 51 14.637 -6.582 2.974 1.00 0.00 H new ATOM 0 HA LEU A 51 13.915 -3.830 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.542 -5.573 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.146 -3.933 4.339 1.00 0.00 H new ATOM 0 HG LEU A 51 14.699 -4.186 6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.157 -2.315 5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.773 -2.012 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.437 -2.502 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.288 -4.618 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.534 -4.894 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.270 -5.995 5.467 1.00 0.00 H new ATOM 796 N LYS A 52 16.633 -4.851 1.277 1.00 0.00 N ATOM 797 CA LYS A 52 17.725 -4.460 0.394 1.00 0.00 C ATOM 798 C LYS A 52 17.196 -4.052 -0.977 1.00 0.00 C ATOM 799 O LYS A 52 17.746 -3.160 -1.624 1.00 0.00 O ATOM 800 CB LYS A 52 18.724 -5.610 0.245 1.00 0.00 C ATOM 801 CG LYS A 52 19.952 -5.247 -0.570 1.00 0.00 C ATOM 802 CD LYS A 52 20.985 -6.363 -0.553 1.00 0.00 C ATOM 803 CE LYS A 52 21.523 -6.647 -1.946 1.00 0.00 C ATOM 804 NZ LYS A 52 22.588 -5.682 -2.336 1.00 0.00 N ATOM 0 H LYS A 52 16.502 -5.859 1.364 1.00 0.00 H new ATOM 0 HA LYS A 52 18.230 -3.603 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.040 -5.937 1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.223 -6.456 -0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.658 -5.038 -1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.396 -4.334 -0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.808 -6.088 0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.537 -7.268 -0.144 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.921 -7.661 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.707 -6.599 -2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.929 -5.909 -3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.202 -4.716 -2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.378 -5.746 -1.662 1.00 0.00 H new ATOM 818 N ARG A 53 16.126 -4.708 -1.414 1.00 0.00 N ATOM 819 CA ARG A 53 15.524 -4.412 -2.708 1.00 0.00 C ATOM 820 C ARG A 53 14.753 -3.096 -2.659 1.00 0.00 C ATOM 821 O ARG A 53 14.720 -2.348 -3.637 1.00 0.00 O ATOM 822 CB ARG A 53 14.591 -5.547 -3.132 1.00 0.00 C ATOM 823 CG ARG A 53 14.261 -5.543 -4.616 1.00 0.00 C ATOM 824 CD ARG A 53 15.339 -6.244 -5.428 1.00 0.00 C ATOM 825 NE ARG A 53 14.775 -7.038 -6.516 1.00 0.00 N ATOM 826 CZ ARG A 53 14.227 -6.509 -7.604 1.00 0.00 C ATOM 827 NH1 ARG A 53 14.169 -5.193 -7.749 1.00 0.00 N ATOM 828 NH2 ARG A 53 13.734 -7.298 -8.551 1.00 0.00 N ATOM 0 H ARG A 53 15.658 -5.448 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 53 16.325 -4.317 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.052 -6.500 -2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.664 -5.476 -2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.303 -6.037 -4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.153 -4.515 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.024 -5.502 -5.838 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.924 -6.890 -4.773 1.00 0.00 H new ATOM 0 HE ARG A 53 14.803 -8.054 -6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.546 -4.583 -7.024 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.747 -4.790 -8.586 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.776 -8.311 -8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.313 -6.891 -9.386 1.00 0.00 H new ATOM 842 N ILE A 54 14.132 -2.822 -1.518 1.00 0.00 N ATOM 843 CA ILE A 54 13.360 -1.597 -1.343 1.00 0.00 C ATOM 844 C ILE A 54 14.272 -0.413 -1.038 1.00 0.00 C ATOM 845 O ILE A 54 13.990 0.719 -1.432 1.00 0.00 O ATOM 846 CB ILE A 54 12.328 -1.739 -0.209 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.451 -0.488 -0.129 1.00 0.00 C ATOM 848 CG2 ILE A 54 13.029 -1.988 1.118 1.00 0.00 C ATOM 849 CD1 ILE A 54 9.998 -0.786 0.166 1.00 0.00 C ATOM 0 H ILE A 54 14.148 -3.431 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 54 12.835 -1.418 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 54 11.688 -2.595 -0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.843 0.171 0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.518 0.054 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.286 -2.086 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.614 -2.905 1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.690 -1.151 1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.436 0.147 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.590 -1.420 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.919 -1.300 1.124 1.00 0.00 H new ATOM 861 N LEU A 55 15.368 -0.681 -0.337 1.00 0.00 N ATOM 862 CA LEU A 55 16.324 0.362 0.019 1.00 0.00 C ATOM 863 C LEU A 55 17.181 0.748 -1.182 1.00 0.00 C ATOM 864 O LEU A 55 17.630 1.888 -1.299 1.00 0.00 O ATOM 865 CB LEU A 55 17.217 -0.107 1.168 1.00 0.00 C ATOM 866 CG LEU A 55 18.409 0.791 1.503 1.00 0.00 C ATOM 867 CD1 LEU A 55 17.944 2.049 2.220 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.424 0.036 2.347 1.00 0.00 C ATOM 0 H LEU A 55 15.617 -1.612 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 55 15.763 1.240 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.601 -0.208 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.593 -1.101 0.926 1.00 0.00 H new ATOM 0 HG LEU A 55 18.891 1.087 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 55 18.805 2.676 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.256 2.600 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.437 1.774 3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.265 0.690 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.955 -0.290 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.780 -0.834 1.796 1.00 0.00 H new ATOM 880 N LYS A 56 17.403 -0.210 -2.076 1.00 0.00 N ATOM 881 CA LYS A 56 18.203 0.028 -3.271 1.00 0.00 C ATOM 882 C LYS A 56 17.379 0.727 -4.347 1.00 0.00 C ATOM 883 O LYS A 56 17.880 1.597 -5.061 1.00 0.00 O ATOM 884 CB LYS A 56 18.754 -1.293 -3.814 1.00 0.00 C ATOM 885 CG LYS A 56 19.698 -1.122 -4.991 1.00 0.00 C ATOM 886 CD LYS A 56 21.111 -1.556 -4.642 1.00 0.00 C ATOM 887 CE LYS A 56 21.948 -1.783 -5.892 1.00 0.00 C ATOM 888 NZ LYS A 56 23.042 -0.780 -6.016 1.00 0.00 N ATOM 0 H LYS A 56 17.039 -1.160 -1.995 1.00 0.00 H new ATOM 0 HA LYS A 56 19.035 0.676 -2.997 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.277 -1.815 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.921 -1.927 -4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.336 -1.707 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 56 19.704 -0.078 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.583 -0.796 -4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 56 21.077 -2.473 -4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.375 -2.785 -5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.307 -1.732 -6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.589 -0.968 -6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.633 0.175 -6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.668 -0.845 -5.188 1.00 0.00 H new ATOM 902 N VAL A 57 16.112 0.343 -4.458 1.00 0.00 N ATOM 903 CA VAL A 57 15.217 0.936 -5.446 1.00 0.00 C ATOM 904 C VAL A 57 14.768 2.326 -5.016 1.00 0.00 C ATOM 905 O VAL A 57 14.646 3.235 -5.839 1.00 0.00 O ATOM 906 CB VAL A 57 13.974 0.056 -5.677 1.00 0.00 C ATOM 907 CG1 VAL A 57 12.968 0.774 -6.561 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.375 -1.280 -6.287 1.00 0.00 C ATOM 0 H VAL A 57 15.681 -0.376 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 57 15.779 1.011 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 57 13.502 -0.136 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.097 0.137 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.659 1.702 -6.081 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.425 0.999 -7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.485 -1.890 -6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.871 -1.109 -7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.056 -1.798 -5.612 1.00 0.00 H new ATOM 918 N LEU A 58 14.523 2.489 -3.720 1.00 0.00 N ATOM 919 CA LEU A 58 14.088 3.772 -3.178 1.00 0.00 C ATOM 920 C LEU A 58 15.224 4.789 -3.204 1.00 0.00 C ATOM 921 O LEU A 58 15.030 5.943 -3.588 1.00 0.00 O ATOM 922 CB LEU A 58 13.578 3.596 -1.746 1.00 0.00 C ATOM 923 CG LEU A 58 12.191 2.970 -1.599 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.873 2.715 -0.134 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.132 3.865 -2.229 1.00 0.00 C ATOM 0 H LEU A 58 14.618 1.749 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 58 13.277 4.146 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.292 2.979 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.566 4.573 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 58 12.188 2.014 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.882 2.269 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.614 2.035 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.895 3.658 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.151 3.404 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.136 4.836 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.350 3.996 -3.289 1.00 0.00 H new ATOM 937 N LYS A 59 16.410 4.353 -2.795 1.00 0.00 N ATOM 938 CA LYS A 59 17.581 5.224 -2.775 1.00 0.00 C ATOM 939 C LYS A 59 18.030 5.564 -4.192 1.00 0.00 C ATOM 940 O LYS A 59 18.519 6.663 -4.452 1.00 0.00 O ATOM 941 CB LYS A 59 18.726 4.553 -2.014 1.00 0.00 C ATOM 942 CG LYS A 59 18.523 4.529 -0.508 1.00 0.00 C ATOM 943 CD LYS A 59 19.267 5.666 0.174 1.00 0.00 C ATOM 944 CE LYS A 59 20.627 5.214 0.685 1.00 0.00 C ATOM 945 NZ LYS A 59 21.700 6.185 0.336 1.00 0.00 N ATOM 0 H LYS A 59 16.587 3.402 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 59 17.307 6.149 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.840 3.530 -2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.656 5.075 -2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.459 4.602 -0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.869 3.576 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.396 6.490 -0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.672 6.045 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 59 20.586 5.091 1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 59 20.868 4.239 0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 22.611 5.842 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 21.756 6.283 -0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 21.483 7.109 0.760 1.00 0.00 H new ATOM 959 N LYS A 60 17.858 4.614 -5.106 1.00 0.00 N ATOM 960 CA LYS A 60 18.245 4.815 -6.499 1.00 0.00 C ATOM 961 C LYS A 60 17.179 5.609 -7.249 1.00 0.00 C ATOM 962 O LYS A 60 17.482 6.323 -8.205 1.00 0.00 O ATOM 963 CB LYS A 60 18.469 3.467 -7.186 1.00 0.00 C ATOM 964 CG LYS A 60 18.885 3.588 -8.641 1.00 0.00 C ATOM 965 CD LYS A 60 19.254 2.236 -9.231 1.00 0.00 C ATOM 966 CE LYS A 60 19.401 2.309 -10.743 1.00 0.00 C ATOM 967 NZ LYS A 60 20.776 2.708 -11.148 1.00 0.00 N ATOM 0 H LYS A 60 17.454 3.699 -4.908 1.00 0.00 H new ATOM 0 HA LYS A 60 19.175 5.383 -6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.235 2.915 -6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 60 17.552 2.881 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 60 18.071 4.027 -9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.735 4.265 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 60 20.188 1.888 -8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 60 18.488 1.504 -8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 60 19.161 1.339 -11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.683 3.024 -11.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.835 2.746 -12.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 20.996 3.645 -10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 21.460 2.012 -10.788 1.00 0.00 H new ATOM 981 N ASP A 61 15.932 5.478 -6.809 1.00 0.00 N ATOM 982 CA ASP A 61 14.822 6.187 -7.438 1.00 0.00 C ATOM 983 C ASP A 61 14.906 7.683 -7.161 1.00 0.00 C ATOM 984 O ASP A 61 15.126 8.482 -8.073 1.00 0.00 O ATOM 985 CB ASP A 61 13.487 5.635 -6.933 1.00 0.00 C ATOM 986 CG ASP A 61 12.316 6.524 -7.303 1.00 0.00 C ATOM 987 OD1 ASP A 61 12.248 6.960 -8.473 1.00 0.00 O ATOM 988 OD2 ASP A 61 11.470 6.787 -6.424 1.00 0.00 O ATOM 0 H ASP A 61 15.664 4.889 -6.021 1.00 0.00 H new ATOM 0 HA ASP A 61 14.887 6.032 -8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.329 4.639 -7.347 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.529 5.526 -5.849 1.00 0.00 H new ATOM 993 N PHE A 62 14.727 8.059 -5.899 1.00 0.00 N ATOM 994 CA PHE A 62 14.781 9.460 -5.504 1.00 0.00 C ATOM 995 C PHE A 62 15.492 9.621 -4.162 1.00 0.00 C ATOM 996 O PHE A 62 15.127 10.470 -3.352 1.00 0.00 O ATOM 997 CB PHE A 62 13.367 10.041 -5.415 1.00 0.00 C ATOM 998 CG PHE A 62 12.716 10.237 -6.754 1.00 0.00 C ATOM 999 CD1 PHE A 62 13.352 10.962 -7.750 1.00 0.00 C ATOM 1000 CD2 PHE A 62 11.467 9.698 -7.017 1.00 0.00 C ATOM 1001 CE1 PHE A 62 12.755 11.143 -8.984 1.00 0.00 C ATOM 1002 CE2 PHE A 62 10.865 9.876 -8.248 1.00 0.00 C ATOM 1003 CZ PHE A 62 11.509 10.602 -9.232 1.00 0.00 C ATOM 0 H PHE A 62 14.543 7.412 -5.132 1.00 0.00 H new ATOM 0 HA PHE A 62 15.345 10.003 -6.262 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.747 9.378 -4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.408 10.999 -4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.325 11.390 -7.560 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.958 9.132 -6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.263 11.707 -9.753 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.892 9.448 -8.441 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.038 10.746 -10.193 1.00 0.00 H new ATOM 1013 N ALA A 63 16.512 8.798 -3.939 1.00 0.00 N ATOM 1014 CA ALA A 63 17.276 8.847 -2.699 1.00 0.00 C ATOM 1015 C ALA A 63 16.354 8.808 -1.484 1.00 0.00 C ATOM 1016 O ALA A 63 16.373 9.713 -0.650 1.00 0.00 O ATOM 1017 CB ALA A 63 18.145 10.096 -2.666 1.00 0.00 C ATOM 0 H ALA A 63 16.828 8.090 -4.601 1.00 0.00 H new ATOM 0 HA ALA A 63 17.920 7.968 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.711 10.121 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.835 10.081 -3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.512 10.981 -2.730 1.00 0.00 H new ATOM 1023 N CYS A 64 15.552 7.753 -1.391 1.00 0.00 N ATOM 1024 CA CYS A 64 14.622 7.597 -0.279 1.00 0.00 C ATOM 1025 C CYS A 64 15.174 6.623 0.757 1.00 0.00 C ATOM 1026 O CYS A 64 14.984 5.411 0.649 1.00 0.00 O ATOM 1027 CB CYS A 64 13.266 7.105 -0.786 1.00 0.00 C ATOM 1028 SG CYS A 64 11.934 8.318 -0.624 1.00 0.00 S ATOM 0 H CYS A 64 15.527 6.994 -2.072 1.00 0.00 H new ATOM 0 HA CYS A 64 14.493 8.570 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.362 6.824 -1.835 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.991 6.203 -0.239 1.00 0.00 H new ATOM 0 HG CYS A 64 10.828 7.811 -1.081 1.00 0.00 H new ATOM 1034 N ASN A 65 15.860 7.161 1.762 1.00 0.00 N ATOM 1035 CA ASN A 65 16.442 6.339 2.816 1.00 0.00 C ATOM 1036 C ASN A 65 15.399 5.398 3.411 1.00 0.00 C ATOM 1037 O ASN A 65 14.552 5.813 4.203 1.00 0.00 O ATOM 1038 CB ASN A 65 17.031 7.226 3.915 1.00 0.00 C ATOM 1039 CG ASN A 65 18.349 6.694 4.444 1.00 0.00 C ATOM 1040 OD1 ASN A 65 18.487 5.501 4.713 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.328 7.580 4.594 1.00 0.00 N ATOM 0 H ASN A 65 16.026 8.162 1.868 1.00 0.00 H new ATOM 0 HA ASN A 65 17.238 5.738 2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.179 8.233 3.525 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.318 7.304 4.736 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.238 7.280 4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 65 19.170 8.560 4.359 1.00 0.00 H new ATOM 1048 N GLY A 66 15.467 4.127 3.025 1.00 0.00 N ATOM 1049 CA GLY A 66 14.523 3.148 3.530 1.00 0.00 C ATOM 1050 C GLY A 66 15.185 2.107 4.412 1.00 0.00 C ATOM 1051 O GLY A 66 15.432 0.983 3.978 1.00 0.00 O ATOM 0 H GLY A 66 16.159 3.759 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.744 3.658 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.035 2.652 2.691 1.00 0.00 H new ATOM 1055 N ASN A 67 15.474 2.484 5.654 1.00 0.00 N ATOM 1056 CA ASN A 67 16.113 1.574 6.599 1.00 0.00 C ATOM 1057 C ASN A 67 15.075 0.712 7.310 1.00 0.00 C ATOM 1058 O ASN A 67 13.874 0.857 7.084 1.00 0.00 O ATOM 1059 CB ASN A 67 16.928 2.363 7.625 1.00 0.00 C ATOM 1060 CG ASN A 67 17.659 3.538 7.003 1.00 0.00 C ATOM 1061 OD1 ASN A 67 18.703 3.369 6.371 1.00 0.00 O ATOM 1062 ND2 ASN A 67 17.115 4.736 7.182 1.00 0.00 N ATOM 0 H ASN A 67 15.276 3.412 6.029 1.00 0.00 H new ATOM 0 HA ASN A 67 16.781 0.919 6.040 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.265 2.726 8.410 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.651 1.699 8.099 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.563 5.564 6.789 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.249 4.829 7.713 1.00 0.00 H new ATOM 1069 N ILE A 68 15.548 -0.183 8.171 1.00 0.00 N ATOM 1070 CA ILE A 68 14.661 -1.068 8.917 1.00 0.00 C ATOM 1071 C ILE A 68 14.855 -0.900 10.420 1.00 0.00 C ATOM 1072 O ILE A 68 15.941 -0.546 10.881 1.00 0.00 O ATOM 1073 CB ILE A 68 14.894 -2.543 8.542 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.705 -3.398 8.987 1.00 0.00 C ATOM 1075 CG2 ILE A 68 16.184 -3.052 9.169 1.00 0.00 C ATOM 1076 CD1 ILE A 68 13.851 -4.864 8.642 1.00 0.00 C ATOM 0 H ILE A 68 16.540 -0.315 8.369 1.00 0.00 H new ATOM 0 HA ILE A 68 13.641 -0.791 8.652 1.00 0.00 H new ATOM 0 HB ILE A 68 14.986 -2.617 7.458 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.579 -3.298 10.065 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.797 -3.013 8.523 1.00 0.00 H new ATOM 0 HG21 ILE A 68 16.335 -4.096 8.895 1.00 0.00 H new ATOM 0 HG22 ILE A 68 17.023 -2.457 8.808 1.00 0.00 H new ATOM 0 HG23 ILE A 68 16.119 -2.968 10.254 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.972 -5.408 8.987 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.946 -4.976 7.562 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.740 -5.265 9.128 1.00 0.00 H new ATOM 1088 N VAL A 69 13.795 -1.156 11.179 1.00 0.00 N ATOM 1089 CA VAL A 69 13.848 -1.036 12.631 1.00 0.00 C ATOM 1090 C VAL A 69 13.056 -2.152 13.304 1.00 0.00 C ATOM 1091 O VAL A 69 12.299 -2.872 12.653 1.00 0.00 O ATOM 1092 CB VAL A 69 13.299 0.325 13.102 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.947 0.736 14.414 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.516 1.385 12.034 1.00 0.00 C ATOM 0 H VAL A 69 12.889 -1.448 10.813 1.00 0.00 H new ATOM 0 HA VAL A 69 14.897 -1.115 12.917 1.00 0.00 H new ATOM 0 HB VAL A 69 12.226 0.227 13.270 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.547 1.699 14.731 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.734 -0.014 15.176 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.025 0.818 14.277 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.122 2.339 12.383 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.582 1.485 11.832 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.999 1.092 11.120 1.00 0.00 H new ATOM 1104 N LYS A 70 13.236 -2.290 14.613 1.00 0.00 N ATOM 1105 CA LYS A 70 12.537 -3.317 15.377 1.00 0.00 C ATOM 1106 C LYS A 70 11.864 -2.715 16.608 1.00 0.00 C ATOM 1107 O LYS A 70 12.534 -2.269 17.538 1.00 0.00 O ATOM 1108 CB LYS A 70 13.512 -4.417 15.803 1.00 0.00 C ATOM 1109 CG LYS A 70 12.856 -5.545 16.580 1.00 0.00 C ATOM 1110 CD LYS A 70 13.787 -6.106 17.642 1.00 0.00 C ATOM 1111 CE LYS A 70 14.691 -7.189 17.073 1.00 0.00 C ATOM 1112 NZ LYS A 70 15.401 -7.939 18.147 1.00 0.00 N ATOM 0 H LYS A 70 13.860 -1.704 15.167 1.00 0.00 H new ATOM 0 HA LYS A 70 11.767 -3.750 14.738 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.991 -4.830 14.915 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.299 -3.976 16.414 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.943 -5.181 17.051 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.565 -6.340 15.893 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.396 -5.302 18.055 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.199 -6.515 18.464 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.097 -7.882 16.478 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.421 -6.737 16.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.007 -8.668 17.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.988 -7.282 18.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.705 -8.391 18.773 1.00 0.00 H new ATOM 1126 N ASP A 71 10.535 -2.711 16.605 1.00 0.00 N ATOM 1127 CA ASP A 71 9.771 -2.167 17.723 1.00 0.00 C ATOM 1128 C ASP A 71 9.309 -3.281 18.657 1.00 0.00 C ATOM 1129 O ASP A 71 9.239 -4.451 18.282 1.00 0.00 O ATOM 1130 CB ASP A 71 8.563 -1.383 17.207 1.00 0.00 C ATOM 1131 CG ASP A 71 8.793 0.115 17.232 1.00 0.00 C ATOM 1132 OD1 ASP A 71 9.944 0.542 17.002 1.00 0.00 O ATOM 1133 OD2 ASP A 71 7.823 0.861 17.480 1.00 0.00 O ATOM 0 H ASP A 71 9.965 -3.078 15.843 1.00 0.00 H new ATOM 0 HA ASP A 71 10.420 -1.494 18.283 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.338 -1.696 16.187 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.690 -1.624 17.814 1.00 0.00 H new ATOM 1138 N PRO A 72 8.987 -2.911 19.905 1.00 0.00 N ATOM 1139 CA PRO A 72 8.526 -3.864 20.920 1.00 0.00 C ATOM 1140 C PRO A 72 7.135 -4.405 20.617 1.00 0.00 C ATOM 1141 O PRO A 72 6.653 -5.315 21.291 1.00 0.00 O ATOM 1142 CB PRO A 72 8.509 -3.032 22.204 1.00 0.00 C ATOM 1143 CG PRO A 72 8.336 -1.626 21.743 1.00 0.00 C ATOM 1144 CD PRO A 72 9.047 -1.533 20.421 1.00 0.00 C ATOM 0 HA PRO A 72 9.167 -4.744 20.974 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.695 -3.336 22.862 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.435 -3.153 22.766 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.280 -1.377 21.636 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.758 -0.925 22.463 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.555 -0.830 19.749 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.076 -1.193 20.541 1.00 0.00 H new ATOM 1152 N GLU A 73 6.494 -3.842 19.597 1.00 0.00 N ATOM 1153 CA GLU A 73 5.156 -4.271 19.207 1.00 0.00 C ATOM 1154 C GLU A 73 5.224 -5.377 18.155 1.00 0.00 C ATOM 1155 O GLU A 73 4.469 -6.346 18.211 1.00 0.00 O ATOM 1156 CB GLU A 73 4.355 -3.085 18.664 1.00 0.00 C ATOM 1157 CG GLU A 73 2.875 -3.381 18.488 1.00 0.00 C ATOM 1158 CD GLU A 73 1.993 -2.232 18.938 1.00 0.00 C ATOM 1159 OE1 GLU A 73 2.414 -1.067 18.789 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.881 -2.501 19.441 1.00 0.00 O ATOM 0 H GLU A 73 6.879 -3.089 19.027 1.00 0.00 H new ATOM 0 HA GLU A 73 4.656 -4.665 20.092 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.470 -2.239 19.342 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.774 -2.784 17.704 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.674 -3.599 17.439 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.617 -4.276 19.055 1.00 0.00 H new ATOM 1167 N MET A 74 6.134 -5.221 17.200 1.00 0.00 N ATOM 1168 CA MET A 74 6.303 -6.205 16.138 1.00 0.00 C ATOM 1169 C MET A 74 7.776 -6.539 15.932 1.00 0.00 C ATOM 1170 O MET A 74 8.215 -7.655 16.209 1.00 0.00 O ATOM 1171 CB MET A 74 5.700 -5.684 14.830 1.00 0.00 C ATOM 1172 CG MET A 74 4.781 -6.683 14.145 1.00 0.00 C ATOM 1173 SD MET A 74 3.166 -5.985 13.753 1.00 0.00 S ATOM 1174 CE MET A 74 2.256 -7.464 13.311 1.00 0.00 C ATOM 0 H MET A 74 6.766 -4.423 17.140 1.00 0.00 H new ATOM 0 HA MET A 74 5.781 -7.115 16.436 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.142 -4.770 15.035 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.507 -5.418 14.148 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.253 -7.035 13.228 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.650 -7.552 14.790 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.234 -7.196 13.042 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.739 -7.948 12.462 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.241 -8.149 14.159 1.00 0.00 H new ATOM 1184 N GLY A 75 8.538 -5.563 15.447 1.00 0.00 N ATOM 1185 CA GLY A 75 9.955 -5.774 15.213 1.00 0.00 C ATOM 1186 C GLY A 75 10.296 -5.838 13.738 1.00 0.00 C ATOM 1187 O GLY A 75 11.201 -6.570 13.335 1.00 0.00 O ATOM 0 H GLY A 75 8.199 -4.630 15.212 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.521 -4.967 15.679 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.266 -6.701 15.695 1.00 0.00 H new ATOM 1191 N GLU A 76 9.571 -5.071 12.931 1.00 0.00 N ATOM 1192 CA GLU A 76 9.801 -5.046 11.492 1.00 0.00 C ATOM 1193 C GLU A 76 9.307 -3.737 10.884 1.00 0.00 C ATOM 1194 O GLU A 76 8.730 -3.724 9.796 1.00 0.00 O ATOM 1195 CB GLU A 76 9.100 -6.229 10.820 1.00 0.00 C ATOM 1196 CG GLU A 76 9.969 -6.960 9.811 1.00 0.00 C ATOM 1197 CD GLU A 76 9.428 -6.865 8.398 1.00 0.00 C ATOM 1198 OE1 GLU A 76 8.345 -7.430 8.140 1.00 0.00 O ATOM 1199 OE2 GLU A 76 10.087 -6.228 7.550 1.00 0.00 O ATOM 0 H GLU A 76 8.820 -4.459 13.249 1.00 0.00 H new ATOM 0 HA GLU A 76 10.875 -5.124 11.321 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.779 -6.933 11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.200 -5.871 10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.977 -6.547 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.047 -8.009 10.097 1.00 0.00 H new ATOM 1206 N ILE A 77 9.537 -2.637 11.595 1.00 0.00 N ATOM 1207 CA ILE A 77 9.117 -1.323 11.125 1.00 0.00 C ATOM 1208 C ILE A 77 10.152 -0.719 10.183 1.00 0.00 C ATOM 1209 O ILE A 77 11.212 -0.265 10.618 1.00 0.00 O ATOM 1210 CB ILE A 77 8.882 -0.355 12.300 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.798 -0.903 13.231 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.495 1.022 11.782 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.498 -0.001 14.408 1.00 0.00 C ATOM 0 H ILE A 77 10.012 -2.631 12.498 1.00 0.00 H new ATOM 0 HA ILE A 77 8.180 -1.465 10.587 1.00 0.00 H new ATOM 0 HB ILE A 77 9.809 -0.262 12.866 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.883 -1.056 12.659 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.109 -1.879 13.602 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.332 1.695 12.624 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.296 1.413 11.155 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.579 0.946 11.196 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.721 -0.453 15.024 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.401 0.133 15.004 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.156 0.968 14.046 1.00 0.00 H new ATOM 1225 N ILE A 78 9.839 -0.715 8.892 1.00 0.00 N ATOM 1226 CA ILE A 78 10.740 -0.162 7.889 1.00 0.00 C ATOM 1227 C ILE A 78 10.680 1.360 7.874 1.00 0.00 C ATOM 1228 O ILE A 78 9.699 1.949 7.419 1.00 0.00 O ATOM 1229 CB ILE A 78 10.407 -0.691 6.480 1.00 0.00 C ATOM 1230 CG1 ILE A 78 10.433 -2.221 6.467 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.386 -0.130 5.460 1.00 0.00 C ATOM 1232 CD1 ILE A 78 9.057 -2.848 6.446 1.00 0.00 C ATOM 0 H ILE A 78 8.968 -1.089 8.516 1.00 0.00 H new ATOM 0 HA ILE A 78 11.746 -0.481 8.160 1.00 0.00 H new ATOM 0 HB ILE A 78 9.403 -0.362 6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.991 -2.559 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.971 -2.575 7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.139 -0.512 4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.323 0.958 5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.399 -0.433 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.152 -3.934 6.438 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.503 -2.539 7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.523 -2.524 5.553 1.00 0.00 H new ATOM 1244 N GLN A 79 11.737 1.993 8.374 1.00 0.00 N ATOM 1245 CA GLN A 79 11.806 3.449 8.418 1.00 0.00 C ATOM 1246 C GLN A 79 12.096 4.022 7.035 1.00 0.00 C ATOM 1247 O GLN A 79 13.104 3.687 6.412 1.00 0.00 O ATOM 1248 CB GLN A 79 12.882 3.901 9.406 1.00 0.00 C ATOM 1249 CG GLN A 79 13.055 5.410 9.470 1.00 0.00 C ATOM 1250 CD GLN A 79 12.890 5.957 10.875 1.00 0.00 C ATOM 1251 OE1 GLN A 79 13.146 5.263 11.858 1.00 0.00 O ATOM 1252 NE2 GLN A 79 12.462 7.211 10.976 1.00 0.00 N ATOM 0 H GLN A 79 12.557 1.520 8.754 1.00 0.00 H new ATOM 0 HA GLN A 79 10.838 3.823 8.751 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.630 3.530 10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.833 3.446 9.128 1.00 0.00 H new ATOM 0 HG2 GLN A 79 14.043 5.675 9.095 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.327 5.884 8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.261 7.751 10.134 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.334 7.634 11.895 1.00 0.00 H new ATOM 1261 N LEU A 80 11.207 4.889 6.561 1.00 0.00 N ATOM 1262 CA LEU A 80 11.367 5.508 5.250 1.00 0.00 C ATOM 1263 C LEU A 80 11.383 7.030 5.365 1.00 0.00 C ATOM 1264 O LEU A 80 10.361 7.648 5.665 1.00 0.00 O ATOM 1265 CB LEU A 80 10.241 5.067 4.313 1.00 0.00 C ATOM 1266 CG LEU A 80 10.669 4.606 2.920 1.00 0.00 C ATOM 1267 CD1 LEU A 80 9.665 3.614 2.354 1.00 0.00 C ATOM 1268 CD2 LEU A 80 10.824 5.799 1.987 1.00 0.00 C ATOM 0 H LEU A 80 10.369 5.179 7.065 1.00 0.00 H new ATOM 0 HA LEU A 80 12.322 5.183 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.695 4.254 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.543 5.897 4.201 1.00 0.00 H new ATOM 0 HG LEU A 80 11.635 4.107 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.986 3.297 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.602 2.746 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.686 4.087 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.129 5.452 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.873 6.325 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.581 6.475 2.384 1.00 0.00 H new ATOM 1280 N GLN A 81 12.546 7.625 5.123 1.00 0.00 N ATOM 1281 CA GLN A 81 12.692 9.074 5.199 1.00 0.00 C ATOM 1282 C GLN A 81 12.643 9.699 3.810 1.00 0.00 C ATOM 1283 O GLN A 81 13.269 9.205 2.872 1.00 0.00 O ATOM 1284 CB GLN A 81 14.006 9.439 5.889 1.00 0.00 C ATOM 1285 CG GLN A 81 14.256 8.663 7.173 1.00 0.00 C ATOM 1286 CD GLN A 81 15.527 9.095 7.878 1.00 0.00 C ATOM 1287 OE1 GLN A 81 16.437 9.647 7.258 1.00 0.00 O ATOM 1288 NE2 GLN A 81 15.595 8.846 9.180 1.00 0.00 N ATOM 0 H GLN A 81 13.400 7.127 4.873 1.00 0.00 H new ATOM 0 HA GLN A 81 11.861 9.468 5.784 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.831 9.259 5.199 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.005 10.506 6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.409 8.798 7.845 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.316 7.599 6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.817 8.386 9.653 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.426 9.114 9.708 1.00 0.00 H new ATOM 1297 N GLY A 82 11.892 10.789 3.682 1.00 0.00 N ATOM 1298 CA GLY A 82 11.776 11.464 2.402 1.00 0.00 C ATOM 1299 C GLY A 82 10.550 12.353 2.326 1.00 0.00 C ATOM 1300 O GLY A 82 9.625 12.218 3.129 1.00 0.00 O ATOM 0 H GLY A 82 11.362 11.216 4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.669 12.065 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.733 10.721 1.605 1.00 0.00 H new ATOM 1304 N ASP A 83 10.543 13.266 1.360 1.00 0.00 N ATOM 1305 CA ASP A 83 9.421 14.181 1.183 1.00 0.00 C ATOM 1306 C ASP A 83 8.493 13.696 0.073 1.00 0.00 C ATOM 1307 O ASP A 83 7.850 14.494 -0.606 1.00 0.00 O ATOM 1308 CB ASP A 83 9.929 15.586 0.860 1.00 0.00 C ATOM 1309 CG ASP A 83 11.042 15.578 -0.170 1.00 0.00 C ATOM 1310 OD1 ASP A 83 10.854 14.968 -1.243 1.00 0.00 O ATOM 1311 OD2 ASP A 83 12.102 16.181 0.098 1.00 0.00 O ATOM 0 H ASP A 83 11.301 13.392 0.689 1.00 0.00 H new ATOM 0 HA ASP A 83 8.858 14.211 2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.102 16.192 0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.288 16.058 1.774 1.00 0.00 H new ATOM 1316 N GLN A 84 8.430 12.379 -0.104 1.00 0.00 N ATOM 1317 CA GLN A 84 7.581 11.787 -1.132 1.00 0.00 C ATOM 1318 C GLN A 84 6.681 10.709 -0.541 1.00 0.00 C ATOM 1319 O GLN A 84 6.628 9.586 -1.043 1.00 0.00 O ATOM 1320 CB GLN A 84 8.439 11.196 -2.252 1.00 0.00 C ATOM 1321 CG GLN A 84 9.561 12.114 -2.709 1.00 0.00 C ATOM 1322 CD GLN A 84 9.786 12.060 -4.207 1.00 0.00 C ATOM 1323 OE1 GLN A 84 8.835 12.075 -4.990 1.00 0.00 O ATOM 1324 NE2 GLN A 84 11.048 11.996 -4.615 1.00 0.00 N ATOM 0 H GLN A 84 8.956 11.703 0.450 1.00 0.00 H new ATOM 0 HA GLN A 84 6.949 12.574 -1.544 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.868 10.254 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.800 10.965 -3.104 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.329 13.138 -2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.483 11.838 -2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.805 11.986 -3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.260 11.957 -5.612 1.00 0.00 H new ATOM 1333 N ARG A 85 5.975 11.056 0.532 1.00 0.00 N ATOM 1334 CA ARG A 85 5.078 10.116 1.192 1.00 0.00 C ATOM 1335 C ARG A 85 4.035 9.582 0.216 1.00 0.00 C ATOM 1336 O ARG A 85 3.914 8.372 0.020 1.00 0.00 O ATOM 1337 CB ARG A 85 4.384 10.788 2.379 1.00 0.00 C ATOM 1338 CG ARG A 85 3.756 9.806 3.353 1.00 0.00 C ATOM 1339 CD ARG A 85 2.496 10.377 3.984 1.00 0.00 C ATOM 1340 NE ARG A 85 1.464 10.659 2.991 1.00 0.00 N ATOM 1341 CZ ARG A 85 0.777 9.716 2.356 1.00 0.00 C ATOM 1342 NH1 ARG A 85 1.010 8.436 2.612 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.145 10.051 1.465 1.00 0.00 N ATOM 0 H ARG A 85 6.008 11.981 0.961 1.00 0.00 H new ATOM 0 HA ARG A 85 5.674 9.278 1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.109 11.402 2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.611 11.460 2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.516 8.879 2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.474 9.556 4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.108 9.672 4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.743 11.293 4.520 1.00 0.00 H new ATOM 0 HE ARG A 85 1.259 11.634 2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.718 8.174 3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.481 7.714 2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.328 11.034 1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.671 9.325 0.978 1.00 0.00 H new ATOM 1357 N ALA A 86 3.282 10.492 -0.393 1.00 0.00 N ATOM 1358 CA ALA A 86 2.248 10.112 -1.350 1.00 0.00 C ATOM 1359 C ALA A 86 2.823 9.235 -2.458 1.00 0.00 C ATOM 1360 O ALA A 86 2.109 8.436 -3.062 1.00 0.00 O ATOM 1361 CB ALA A 86 1.596 11.353 -1.940 1.00 0.00 C ATOM 0 H ALA A 86 3.368 11.497 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 86 1.490 9.534 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.826 11.056 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.144 11.941 -1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.350 11.953 -2.450 1.00 0.00 H new ATOM 1367 N LYS A 87 4.115 9.391 -2.719 1.00 0.00 N ATOM 1368 CA LYS A 87 4.786 8.614 -3.755 1.00 0.00 C ATOM 1369 C LYS A 87 5.023 7.181 -3.290 1.00 0.00 C ATOM 1370 O LYS A 87 4.793 6.229 -4.037 1.00 0.00 O ATOM 1371 CB LYS A 87 6.119 9.267 -4.129 1.00 0.00 C ATOM 1372 CG LYS A 87 6.488 9.099 -5.592 1.00 0.00 C ATOM 1373 CD LYS A 87 6.184 10.355 -6.393 1.00 0.00 C ATOM 1374 CE LYS A 87 6.073 10.055 -7.879 1.00 0.00 C ATOM 1375 NZ LYS A 87 4.908 9.176 -8.183 1.00 0.00 N ATOM 0 H LYS A 87 4.720 10.049 -2.227 1.00 0.00 H new ATOM 0 HA LYS A 87 4.141 8.592 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.072 10.330 -3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.909 8.839 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.548 8.861 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.938 8.257 -6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.252 10.797 -6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.969 11.092 -6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.977 10.989 -8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.989 9.575 -8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.270 9.662 -8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.244 8.291 -8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.396 8.961 -7.303 1.00 0.00 H new ATOM 1389 N VAL A 88 5.485 7.033 -2.052 1.00 0.00 N ATOM 1390 CA VAL A 88 5.750 5.716 -1.488 1.00 0.00 C ATOM 1391 C VAL A 88 4.471 4.892 -1.388 1.00 0.00 C ATOM 1392 O VAL A 88 4.504 3.663 -1.464 1.00 0.00 O ATOM 1393 CB VAL A 88 6.390 5.821 -0.089 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.722 4.440 0.452 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.633 6.698 -0.139 1.00 0.00 C ATOM 0 H VAL A 88 5.683 7.810 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 88 6.447 5.219 -2.162 1.00 0.00 H new ATOM 0 HB VAL A 88 5.672 6.285 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.173 4.535 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.809 3.849 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.423 3.945 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.073 6.762 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.357 6.264 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.360 7.697 -0.480 1.00 0.00 H new ATOM 1405 N CYS A 89 3.346 5.577 -1.216 1.00 0.00 N ATOM 1406 CA CYS A 89 2.054 4.908 -1.106 1.00 0.00 C ATOM 1407 C CYS A 89 1.521 4.525 -2.482 1.00 0.00 C ATOM 1408 O CYS A 89 0.917 3.467 -2.651 1.00 0.00 O ATOM 1409 CB CYS A 89 1.050 5.812 -0.389 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.276 4.918 0.455 1.00 0.00 S ATOM 0 H CYS A 89 3.302 6.594 -1.150 1.00 0.00 H new ATOM 0 HA CYS A 89 2.192 3.996 -0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.583 6.423 0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.609 6.495 -1.115 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.073 5.767 1.033 1.00 0.00 H new ATOM 1416 N GLU A 90 1.747 5.394 -3.461 1.00 0.00 N ATOM 1417 CA GLU A 90 1.285 5.146 -4.823 1.00 0.00 C ATOM 1418 C GLU A 90 2.140 4.080 -5.501 1.00 0.00 C ATOM 1419 O GLU A 90 1.648 3.302 -6.319 1.00 0.00 O ATOM 1420 CB GLU A 90 1.322 6.439 -5.641 1.00 0.00 C ATOM 1421 CG GLU A 90 0.013 7.212 -5.618 1.00 0.00 C ATOM 1422 CD GLU A 90 0.072 8.482 -6.441 1.00 0.00 C ATOM 1423 OE1 GLU A 90 0.205 8.384 -7.678 1.00 0.00 O ATOM 1424 OE2 GLU A 90 -0.016 9.578 -5.848 1.00 0.00 O ATOM 0 H GLU A 90 2.246 6.275 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 90 0.258 4.786 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.118 7.078 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.574 6.198 -6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.787 6.576 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.239 7.463 -4.587 1.00 0.00 H new ATOM 1431 N PHE A 91 3.422 4.048 -5.154 1.00 0.00 N ATOM 1432 CA PHE A 91 4.346 3.077 -5.730 1.00 0.00 C ATOM 1433 C PHE A 91 4.224 1.728 -5.029 1.00 0.00 C ATOM 1434 O PHE A 91 4.390 0.678 -5.647 1.00 0.00 O ATOM 1435 CB PHE A 91 5.785 3.589 -5.628 1.00 0.00 C ATOM 1436 CG PHE A 91 6.674 3.100 -6.737 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.504 3.563 -8.032 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.679 2.180 -6.482 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.322 3.117 -9.054 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.497 1.731 -7.501 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.319 2.198 -8.788 1.00 0.00 C ATOM 0 H PHE A 91 3.845 4.683 -4.477 1.00 0.00 H new ATOM 0 HA PHE A 91 4.087 2.945 -6.781 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.776 4.679 -5.634 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.206 3.279 -4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.725 4.280 -8.245 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.824 1.811 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.182 3.487 -10.059 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.277 1.014 -7.290 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.957 1.846 -9.585 1.00 0.00 H new ATOM 1451 N MET A 92 3.933 1.765 -3.732 1.00 0.00 N ATOM 1452 CA MET A 92 3.788 0.546 -2.946 1.00 0.00 C ATOM 1453 C MET A 92 2.542 -0.227 -3.366 1.00 0.00 C ATOM 1454 O MET A 92 2.579 -1.449 -3.518 1.00 0.00 O ATOM 1455 CB MET A 92 3.715 0.880 -1.455 1.00 0.00 C ATOM 1456 CG MET A 92 3.498 -0.336 -0.568 1.00 0.00 C ATOM 1457 SD MET A 92 4.849 -0.598 0.596 1.00 0.00 S ATOM 1458 CE MET A 92 6.222 -0.845 -0.527 1.00 0.00 C ATOM 0 H MET A 92 3.793 2.626 -3.204 1.00 0.00 H new ATOM 0 HA MET A 92 4.662 -0.080 -3.129 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.638 1.376 -1.157 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.904 1.589 -1.289 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.566 -0.216 -0.016 1.00 0.00 H new ATOM 0 HG3 MET A 92 3.386 -1.222 -1.194 1.00 0.00 H new ATOM 0 HE1 MET A 92 7.030 -1.358 -0.006 1.00 0.00 H new ATOM 0 HE2 MET A 92 5.895 -1.449 -1.374 1.00 0.00 H new ATOM 0 HE3 MET A 92 6.577 0.121 -0.886 1.00 0.00 H new ATOM 1468 N ILE A 93 1.440 0.492 -3.554 1.00 0.00 N ATOM 1469 CA ILE A 93 0.184 -0.126 -3.957 1.00 0.00 C ATOM 1470 C ILE A 93 0.216 -0.526 -5.429 1.00 0.00 C ATOM 1471 O ILE A 93 -0.233 -1.612 -5.797 1.00 0.00 O ATOM 1472 CB ILE A 93 -1.010 0.817 -3.720 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -1.084 1.219 -2.246 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.307 0.152 -4.159 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -2.024 2.375 -1.982 1.00 0.00 C ATOM 0 H ILE A 93 1.392 1.504 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 93 0.060 -1.017 -3.342 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.867 1.718 -4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.405 0.359 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.086 1.487 -1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.141 0.831 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.251 -0.089 -5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.459 -0.763 -3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.027 2.606 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.692 3.249 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.032 2.104 -2.297 1.00 0.00 H new ATOM 1487 N SER A 94 0.753 0.356 -6.265 1.00 0.00 N ATOM 1488 CA SER A 94 0.842 0.095 -7.697 1.00 0.00 C ATOM 1489 C SER A 94 1.785 -1.071 -7.978 1.00 0.00 C ATOM 1490 O SER A 94 1.656 -1.753 -8.995 1.00 0.00 O ATOM 1491 CB SER A 94 1.325 1.346 -8.434 1.00 0.00 C ATOM 1492 OG SER A 94 2.666 1.654 -8.094 1.00 0.00 O ATOM 0 H SER A 94 1.133 1.257 -5.976 1.00 0.00 H new ATOM 0 HA SER A 94 -0.152 -0.170 -8.057 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.246 1.191 -9.510 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.681 2.189 -8.185 1.00 0.00 H new ATOM 0 HG SER A 94 2.909 2.523 -8.476 1.00 0.00 H new ATOM 1498 N GLN A 95 2.731 -1.290 -7.072 1.00 0.00 N ATOM 1499 CA GLN A 95 3.696 -2.374 -7.223 1.00 0.00 C ATOM 1500 C GLN A 95 3.203 -3.642 -6.537 1.00 0.00 C ATOM 1501 O GLN A 95 3.489 -4.754 -6.985 1.00 0.00 O ATOM 1502 CB GLN A 95 5.051 -1.961 -6.646 1.00 0.00 C ATOM 1503 CG GLN A 95 6.171 -2.940 -6.963 1.00 0.00 C ATOM 1504 CD GLN A 95 6.937 -2.567 -8.214 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.074 -3.371 -9.137 1.00 0.00 O ATOM 1506 NE2 GLN A 95 7.444 -1.340 -8.254 1.00 0.00 N ATOM 0 H GLN A 95 2.851 -0.733 -6.226 1.00 0.00 H new ATOM 0 HA GLN A 95 3.809 -2.581 -8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.318 -0.978 -7.035 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.961 -1.862 -5.564 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.860 -2.983 -6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.752 -3.939 -7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.307 -0.706 -7.467 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.970 -1.032 -9.072 1.00 0.00 H new ATOM 1515 N LEU A 96 2.462 -3.470 -5.449 1.00 0.00 N ATOM 1516 CA LEU A 96 1.928 -4.602 -4.699 1.00 0.00 C ATOM 1517 C LEU A 96 0.817 -5.297 -5.479 1.00 0.00 C ATOM 1518 O LEU A 96 0.555 -6.484 -5.284 1.00 0.00 O ATOM 1519 CB LEU A 96 1.398 -4.137 -3.342 1.00 0.00 C ATOM 1520 CG LEU A 96 2.428 -4.034 -2.218 1.00 0.00 C ATOM 1521 CD1 LEU A 96 1.836 -3.320 -1.013 1.00 0.00 C ATOM 1522 CD2 LEU A 96 2.929 -5.417 -1.826 1.00 0.00 C ATOM 0 H LEU A 96 2.217 -2.557 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 96 2.738 -5.315 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.933 -3.160 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.613 -4.824 -3.026 1.00 0.00 H new ATOM 0 HG LEU A 96 3.274 -3.450 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.585 -3.257 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.527 -2.315 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.972 -3.876 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.662 -5.325 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.091 -6.024 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.394 -5.894 -2.689 1.00 0.00 H new ATOM 1534 N GLY A 97 0.168 -4.550 -6.368 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.904 -5.114 -7.167 1.00 0.00 C ATOM 1536 C GLY A 97 -2.265 -4.572 -6.774 1.00 0.00 C ATOM 1537 O GLY A 97 -3.257 -5.302 -6.780 1.00 0.00 O ATOM 0 H GLY A 97 0.366 -3.566 -6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.721 -4.899 -8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.903 -6.199 -7.058 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.313 -3.291 -6.429 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.562 -2.652 -6.029 1.00 0.00 C ATOM 1543 C LEU A 98 -4.109 -3.279 -4.749 1.00 0.00 C ATOM 1544 O LEU A 98 -5.212 -3.824 -4.738 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.597 -2.766 -7.148 1.00 0.00 C ATOM 1546 CG LEU A 98 -4.100 -2.441 -8.558 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -4.287 -3.637 -9.479 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -4.823 -1.221 -9.111 1.00 0.00 C ATOM 0 H LEU A 98 -1.501 -2.673 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.357 -1.599 -5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.992 -3.782 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.429 -2.101 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.035 -2.213 -8.504 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.928 -3.387 -10.477 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.723 -4.486 -9.092 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.345 -3.896 -9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.457 -1.005 -10.115 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.894 -1.420 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.637 -0.364 -8.464 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.330 -3.195 -3.676 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.739 -3.753 -2.392 1.00 0.00 C ATOM 1562 C GLN A 99 -4.277 -2.663 -1.471 1.00 0.00 C ATOM 1563 O GLN A 99 -3.571 -1.710 -1.141 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.560 -4.465 -1.725 1.00 0.00 C ATOM 1565 CG GLN A 99 -2.980 -5.463 -0.656 1.00 0.00 C ATOM 1566 CD GLN A 99 -3.867 -6.565 -1.202 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -5.081 -6.398 -1.321 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -3.263 -7.699 -1.537 1.00 0.00 N ATOM 0 H GLN A 99 -2.414 -2.747 -3.670 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.536 -4.474 -2.574 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.981 -4.984 -2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.902 -3.720 -1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.090 -5.906 -0.209 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.508 -4.937 0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.254 -7.793 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.808 -8.476 -1.910 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.532 -2.809 -1.060 1.00 0.00 N ATOM 1578 CA LYS A 100 -6.167 -1.838 -0.177 1.00 0.00 C ATOM 1579 C LYS A 100 -7.214 -2.510 0.706 1.00 0.00 C ATOM 1580 O LYS A 100 -8.095 -1.847 1.254 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.814 -0.721 -0.995 1.00 0.00 C ATOM 1582 CG LYS A 100 -7.911 -1.205 -1.926 1.00 0.00 C ATOM 1583 CD LYS A 100 -7.589 -0.896 -3.378 1.00 0.00 C ATOM 1584 CE LYS A 100 -8.642 -1.463 -4.317 1.00 0.00 C ATOM 1585 NZ LYS A 100 -9.415 -0.388 -5.000 1.00 0.00 N ATOM 0 H LYS A 100 -6.130 -3.592 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.397 -1.409 0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.229 0.023 -0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.045 -0.221 -1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.045 -2.280 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.855 -0.733 -1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.522 0.183 -3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.613 -1.311 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.160 -2.094 -5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.325 -2.100 -3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.122 -0.816 -5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.896 0.199 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.767 0.205 -5.558 1.00 0.00 H new ATOM 1599 N LYS A 101 -7.112 -3.826 0.841 1.00 0.00 N ATOM 1600 CA LYS A 101 -8.048 -4.587 1.659 1.00 0.00 C ATOM 1601 C LYS A 101 -8.081 -4.054 3.088 1.00 0.00 C ATOM 1602 O LYS A 101 -9.074 -4.213 3.797 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.663 -6.069 1.666 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.479 -6.914 0.701 1.00 0.00 C ATOM 1605 CD LYS A 101 -9.749 -7.434 1.352 1.00 0.00 C ATOM 1606 CE LYS A 101 -10.366 -8.567 0.545 1.00 0.00 C ATOM 1607 NZ LYS A 101 -9.745 -9.881 0.869 1.00 0.00 N ATOM 0 H LYS A 101 -6.389 -4.390 0.394 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.042 -4.477 1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.607 -6.163 1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.786 -6.463 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.736 -6.320 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.877 -7.754 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.526 -7.784 2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.469 -6.621 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.437 -8.613 0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.247 -8.362 -0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.193 -10.627 0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.728 -9.846 0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.880 -10.089 1.879 1.00 0.00 H new ATOM 1621 N ASN A 102 -6.990 -3.418 3.502 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.895 -2.860 4.846 1.00 0.00 C ATOM 1623 C ASN A 102 -5.597 -2.077 5.020 1.00 0.00 C ATOM 1624 O ASN A 102 -4.560 -2.445 4.464 1.00 0.00 O ATOM 1625 CB ASN A 102 -6.976 -3.975 5.891 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.400 -3.460 7.253 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.804 -2.526 7.789 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.436 -4.069 7.819 1.00 0.00 N ATOM 0 H ASN A 102 -6.160 -3.276 2.927 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.732 -2.177 4.988 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.684 -4.733 5.556 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.004 -4.461 5.976 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -8.768 -3.766 8.735 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -8.900 -4.839 7.338 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.660 -1.000 5.795 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.490 -0.168 6.043 1.00 0.00 C ATOM 1637 C ILE A 103 -4.461 0.324 7.486 1.00 0.00 C ATOM 1638 O ILE A 103 -5.404 0.962 7.953 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.451 1.045 5.097 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -3.159 1.840 5.303 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -5.665 1.932 5.323 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -3.072 3.085 4.448 1.00 0.00 C ATOM 0 H ILE A 103 -6.510 -0.683 6.262 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.615 -0.791 5.857 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.474 0.685 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.080 2.124 6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.307 1.197 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.623 2.786 4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.573 1.361 5.131 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.670 2.286 6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.131 3.598 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.119 2.807 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.904 3.748 4.686 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.371 0.026 8.186 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.217 0.441 9.576 1.00 0.00 C ATOM 1656 C LYS A 104 -2.410 1.732 9.670 1.00 0.00 C ATOM 1657 O LYS A 104 -1.188 1.722 9.521 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.534 -0.663 10.385 1.00 0.00 C ATOM 1659 CG LYS A 104 -2.303 -0.294 11.841 1.00 0.00 C ATOM 1660 CD LYS A 104 -3.603 -0.290 12.627 1.00 0.00 C ATOM 1661 CE LYS A 104 -4.161 1.117 12.775 1.00 0.00 C ATOM 1662 NZ LYS A 104 -4.961 1.270 14.021 1.00 0.00 N ATOM 0 H LYS A 104 -2.581 -0.501 7.814 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.209 0.623 9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.143 -1.566 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.576 -0.902 9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.607 -1.002 12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.839 0.690 11.899 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.335 -0.922 12.124 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.434 -0.721 13.614 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.340 1.834 12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.784 1.353 11.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.323 2.243 14.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.759 0.604 14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.360 1.070 14.846 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.100 2.839 9.924 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.446 4.135 10.042 1.00 0.00 C ATOM 1678 C ILE A 105 -2.367 4.581 11.497 1.00 0.00 C ATOM 1679 O ILE A 105 -3.329 4.442 12.255 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.183 5.215 9.227 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.514 4.691 7.827 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.342 6.479 9.139 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -4.247 5.693 6.964 1.00 0.00 C ATOM 0 H ILE A 105 -4.112 2.864 10.052 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.438 4.015 9.645 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.117 5.458 9.735 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.589 4.402 7.328 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.121 3.790 7.919 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.877 7.232 8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.152 6.860 10.142 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.394 6.252 8.651 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.448 5.253 5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.189 5.964 7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.633 6.585 6.841 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.214 5.117 11.885 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.010 5.585 13.252 1.00 0.00 C ATOM 1697 C HIS A 106 -1.405 7.052 13.389 1.00 0.00 C ATOM 1698 O HIS A 106 -0.736 7.938 12.858 1.00 0.00 O ATOM 1699 CB HIS A 106 0.450 5.398 13.665 1.00 0.00 C ATOM 1700 CG HIS A 106 0.621 4.575 14.905 1.00 0.00 C ATOM 1701 ND1 HIS A 106 0.294 3.237 14.971 1.00 0.00 N ATOM 1702 CD2 HIS A 106 1.090 4.907 16.130 1.00 0.00 C ATOM 1703 CE1 HIS A 106 0.554 2.782 16.184 1.00 0.00 C ATOM 1704 NE2 HIS A 106 1.038 3.776 16.907 1.00 0.00 N ATOM 0 H HIS A 106 -0.407 5.238 11.273 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.645 4.993 13.911 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.993 4.924 12.847 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.903 6.377 13.823 1.00 0.00 H new ATOM 0 HD2 HIS A 106 1.440 5.881 16.439 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.397 1.770 16.526 1.00 0.00 H new ATOM 0 HE2 HIS A 106 1.326 3.714 17.883 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.499 7.302 14.104 1.00 0.00 N ATOM 1713 CA GLY A 107 -2.964 8.663 14.295 1.00 0.00 C ATOM 1714 C GLY A 107 -2.751 9.154 15.713 1.00 0.00 C ATOM 1715 O GLY A 107 -3.573 8.901 16.596 1.00 0.00 O ATOM 0 H GLY A 107 -3.070 6.587 14.554 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.441 9.323 13.603 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.025 8.719 14.050 1.00 0.00 H new ATOM 1719 N PHE A 108 -1.645 9.856 15.936 1.00 0.00 N ATOM 1720 CA PHE A 108 -1.324 10.381 17.258 1.00 0.00 C ATOM 1721 C PHE A 108 -1.156 9.249 18.266 1.00 0.00 C ATOM 1722 O PHE A 108 -0.045 8.773 18.498 1.00 0.00 O ATOM 1723 CB PHE A 108 -2.421 11.340 17.728 1.00 0.00 C ATOM 1724 CG PHE A 108 -1.893 12.554 18.437 1.00 0.00 C ATOM 1725 CD1 PHE A 108 -0.917 12.432 19.414 1.00 0.00 C ATOM 1726 CD2 PHE A 108 -2.371 13.816 18.127 1.00 0.00 C ATOM 1727 CE1 PHE A 108 -0.429 13.547 20.069 1.00 0.00 C ATOM 1728 CE2 PHE A 108 -1.887 14.935 18.778 1.00 0.00 C ATOM 1729 CZ PHE A 108 -0.915 14.800 19.750 1.00 0.00 C ATOM 0 H PHE A 108 -0.955 10.075 15.217 1.00 0.00 H new ATOM 0 HA PHE A 108 -0.381 10.924 17.188 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.007 11.659 16.866 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.098 10.806 18.394 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.534 11.454 19.666 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.131 13.927 17.368 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.331 13.439 20.829 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -2.268 15.914 18.527 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.535 15.673 20.260 1.00 0.00 H new TER 1739 PHE A 108