USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 786 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 41 GLN : amide:sc= -7.94! C(o=-9.4!,f=-5!) USER MOD Set 1.2: A 42 LYS NZ :NH3+ -120:sc= -1.5 (180deg=-3.73!) USER MOD Single : A 1 ALA N :NH3+ 141:sc= 0.0582 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.941 K(o=-0.94,f=0.0034) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.327 USER MOD Single : A 11 ASN : amide:sc= -3! K(o=-3!,f=-0.24) USER MOD Single : A 13 ASN : amide:sc= -2.55! K(o=-2.5!,f=-0.52) USER MOD Single : A 15 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.261) USER MOD Single : A 19 LYS NZ :NH3+ -114:sc= -1.34 (180deg=-2.62!) USER MOD Single : A 22 ASN : amide:sc= -3.54! C(o=-3.5!,f=-10!) USER MOD Single : A 25 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.067) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= -1.14 (180deg=-1.67) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.0623 (180deg=-0.758) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 129:sc= 0.871 USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= -0.0397 (180deg=-0.392) USER MOD Single : A 51 LYS NZ :NH3+ -130:sc= -4.48! (180deg=-6.02!) USER MOD Single : A 52 SER OG : rot -150:sc= -1.94 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0844 USER MOD Single : A 58 MET CE :methyl -151:sc= -0.204 (180deg=-1.26) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-4.4!) USER MOD Single : A 71 GLN : amide:sc= -2.8 K(o=-2.8,f=-5.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.262 K(o=-0.26,f=-1!) USER MOD Single : A 83 LYS NZ :NH3+ -109:sc= -1.14 (180deg=-2.96!) USER MOD Single : A 85 LYS NZ :NH3+ -123:sc= -1.91 (180deg=-3.25!) USER MOD Single : A 88 GLN : amide:sc= -6.93! C(o=-6.9!,f=-3.7!) USER MOD Single : A 93 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.62) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 69:sc= 0.828 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.17) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 120:sc= -0.538 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.017 -42.193 9.080 1.00 0.00 N ATOM 2 CA ALA A 1 -1.070 -42.361 8.074 1.00 0.00 C ATOM 3 C ALA A 1 -2.414 -42.056 8.726 1.00 0.00 C ATOM 4 O ALA A 1 -2.597 -42.273 9.923 1.00 0.00 O ATOM 5 CB ALA A 1 -1.058 -43.799 7.552 1.00 0.00 C ATOM 0 H1 ALA A 1 0.730 -42.939 8.949 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.463 -41.262 8.957 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.383 -42.261 10.038 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.912 -41.675 7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.852 -43.926 6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.095 -44.009 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.219 -44.488 8.381 1.00 0.00 H new ATOM 13 N ASP A 2 -3.354 -41.553 7.930 1.00 0.00 N ATOM 14 CA ASP A 2 -4.680 -41.223 8.443 1.00 0.00 C ATOM 15 C ASP A 2 -5.542 -42.477 8.539 1.00 0.00 C ATOM 16 O ASP A 2 -5.422 -43.391 7.722 1.00 0.00 O ATOM 17 CB ASP A 2 -5.359 -40.196 7.524 1.00 0.00 C ATOM 18 CG ASP A 2 -4.990 -40.474 6.071 1.00 0.00 C ATOM 19 OD1 ASP A 2 -5.106 -41.616 5.659 1.00 0.00 O ATOM 20 OD2 ASP A 2 -4.596 -39.541 5.392 1.00 0.00 O ATOM 0 H ASP A 2 -3.224 -41.366 6.936 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.569 -40.796 9.440 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -6.441 -40.243 7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.050 -39.188 7.800 1.00 0.00 H new ATOM 25 N LEU A 3 -6.419 -42.506 9.539 1.00 0.00 N ATOM 26 CA LEU A 3 -7.314 -43.642 9.741 1.00 0.00 C ATOM 27 C LEU A 3 -8.670 -43.346 9.110 1.00 0.00 C ATOM 28 O LEU A 3 -9.488 -44.246 8.922 1.00 0.00 O ATOM 29 CB LEU A 3 -7.499 -43.916 11.248 1.00 0.00 C ATOM 30 CG LEU A 3 -6.237 -43.519 12.016 1.00 0.00 C ATOM 31 CD1 LEU A 3 -6.445 -43.804 13.503 1.00 0.00 C ATOM 32 CD2 LEU A 3 -5.045 -44.333 11.504 1.00 0.00 C ATOM 0 H LEU A 3 -6.529 -41.756 10.222 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.875 -44.522 9.271 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.354 -43.355 11.625 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.714 -44.972 11.409 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.039 -42.458 11.868 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.549 -43.523 14.056 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.293 -43.226 13.869 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.641 -44.867 13.646 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.147 -44.048 12.053 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.239 -45.395 11.652 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.899 -44.136 10.442 1.00 0.00 H new ATOM 44 N GLU A 4 -8.910 -42.072 8.810 1.00 0.00 N ATOM 45 CA GLU A 4 -10.184 -41.672 8.228 1.00 0.00 C ATOM 46 C GLU A 4 -10.080 -40.309 7.546 1.00 0.00 C ATOM 47 O GLU A 4 -10.761 -39.359 7.937 1.00 0.00 O ATOM 48 CB GLU A 4 -11.240 -41.614 9.331 1.00 0.00 C ATOM 49 CG GLU A 4 -10.689 -40.832 10.527 1.00 0.00 C ATOM 50 CD GLU A 4 -11.797 -40.584 11.544 1.00 0.00 C ATOM 51 OE1 GLU A 4 -12.075 -41.485 12.319 1.00 0.00 O ATOM 52 OE2 GLU A 4 -12.352 -39.498 11.534 1.00 0.00 O ATOM 0 H GLU A 4 -8.248 -41.310 8.958 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.466 -42.406 7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.146 -41.136 8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.515 -42.623 9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.875 -41.389 10.992 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.274 -39.882 10.191 1.00 0.00 H new ATOM 59 N ASP A 5 -9.235 -40.218 6.522 1.00 0.00 N ATOM 60 CA ASP A 5 -9.064 -38.964 5.792 1.00 0.00 C ATOM 61 C ASP A 5 -10.126 -38.837 4.703 1.00 0.00 C ATOM 62 O ASP A 5 -10.156 -39.626 3.758 1.00 0.00 O ATOM 63 CB ASP A 5 -7.671 -38.910 5.158 1.00 0.00 C ATOM 64 CG ASP A 5 -7.365 -40.230 4.459 1.00 0.00 C ATOM 65 OD1 ASP A 5 -7.391 -41.250 5.127 1.00 0.00 O ATOM 66 OD2 ASP A 5 -7.108 -40.200 3.267 1.00 0.00 O ATOM 0 H ASP A 5 -8.662 -40.990 6.181 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.172 -38.137 6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.620 -38.090 4.442 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.921 -38.712 5.924 1.00 0.00 H new ATOM 71 N ASN A 6 -10.997 -37.843 4.844 1.00 0.00 N ATOM 72 CA ASN A 6 -12.059 -37.627 3.867 1.00 0.00 C ATOM 73 C ASN A 6 -12.578 -36.196 3.943 1.00 0.00 C ATOM 74 O ASN A 6 -13.068 -35.756 4.983 1.00 0.00 O ATOM 75 CB ASN A 6 -13.209 -38.601 4.127 1.00 0.00 C ATOM 76 CG ASN A 6 -13.764 -38.385 5.531 1.00 0.00 C ATOM 77 OD1 ASN A 6 -14.732 -37.644 5.711 1.00 0.00 O ATOM 78 ND2 ASN A 6 -13.206 -38.990 6.544 1.00 0.00 N ATOM 0 H ASN A 6 -10.990 -37.179 5.618 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.651 -37.799 2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -13.997 -38.453 3.388 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -12.859 -39.628 4.019 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -13.571 -38.850 7.486 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.405 -39.603 6.394 1.00 0.00 H new ATOM 85 N ASP A 7 -12.469 -35.474 2.832 1.00 0.00 N ATOM 86 CA ASP A 7 -12.933 -34.090 2.776 1.00 0.00 C ATOM 87 C ASP A 7 -12.572 -33.340 4.055 1.00 0.00 C ATOM 88 O ASP A 7 -13.437 -33.050 4.881 1.00 0.00 O ATOM 89 CB ASP A 7 -14.449 -34.057 2.574 1.00 0.00 C ATOM 90 CG ASP A 7 -15.147 -34.743 3.743 1.00 0.00 C ATOM 91 OD1 ASP A 7 -15.242 -35.960 3.719 1.00 0.00 O ATOM 92 OD2 ASP A 7 -15.578 -34.044 4.645 1.00 0.00 O ATOM 0 H ASP A 7 -12.066 -35.821 1.962 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.440 -33.600 1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -14.790 -33.025 2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -14.711 -34.555 1.641 1.00 0.00 H new ATOM 97 N GLU A 8 -11.290 -33.027 4.211 1.00 0.00 N ATOM 98 CA GLU A 8 -10.829 -32.308 5.393 1.00 0.00 C ATOM 99 C GLU A 8 -11.353 -30.873 5.378 1.00 0.00 C ATOM 100 O GLU A 8 -11.446 -30.252 4.319 1.00 0.00 O ATOM 101 CB GLU A 8 -9.300 -32.295 5.433 1.00 0.00 C ATOM 102 CG GLU A 8 -8.761 -31.667 4.147 1.00 0.00 C ATOM 103 CD GLU A 8 -7.245 -31.827 4.083 1.00 0.00 C ATOM 104 OE1 GLU A 8 -6.798 -32.910 3.742 1.00 0.00 O ATOM 105 OE2 GLU A 8 -6.555 -30.866 4.376 1.00 0.00 O ATOM 0 H GLU A 8 -10.557 -33.258 3.540 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.209 -32.816 6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.953 -31.731 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.920 -33.311 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.222 -32.141 3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.025 -30.610 4.110 1.00 0.00 H new ATOM 112 N THR A 9 -11.694 -30.351 6.555 1.00 0.00 N ATOM 113 CA THR A 9 -12.207 -28.987 6.661 1.00 0.00 C ATOM 114 C THR A 9 -11.920 -28.419 8.046 1.00 0.00 C ATOM 115 O THR A 9 -10.932 -27.712 8.246 1.00 0.00 O ATOM 116 CB THR A 9 -13.718 -28.973 6.409 1.00 0.00 C ATOM 117 OG1 THR A 9 -14.350 -29.887 7.295 1.00 0.00 O ATOM 118 CG2 THR A 9 -14.010 -29.379 4.963 1.00 0.00 C ATOM 0 H THR A 9 -11.625 -30.848 7.443 1.00 0.00 H new ATOM 0 HA THR A 9 -11.709 -28.372 5.912 1.00 0.00 H new ATOM 0 HB THR A 9 -14.102 -27.968 6.581 1.00 0.00 H new ATOM 0 HG1 THR A 9 -15.317 -29.879 7.138 1.00 0.00 H new ATOM 0 HG21 THR A 9 -15.086 -29.367 4.792 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.526 -28.677 4.283 1.00 0.00 H new ATOM 0 HG23 THR A 9 -13.625 -30.383 4.782 1.00 0.00 H new ATOM 126 N GLY A 10 -12.791 -28.736 8.999 1.00 0.00 N ATOM 127 CA GLY A 10 -12.623 -28.256 10.364 1.00 0.00 C ATOM 128 C GLY A 10 -11.509 -29.019 11.072 1.00 0.00 C ATOM 129 O GLY A 10 -10.921 -28.529 12.036 1.00 0.00 O ATOM 0 H GLY A 10 -13.615 -29.319 8.852 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.391 -27.191 10.354 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.557 -28.374 10.913 1.00 0.00 H new ATOM 133 N ASN A 11 -11.226 -30.223 10.585 1.00 0.00 N ATOM 134 CA ASN A 11 -10.178 -31.055 11.173 1.00 0.00 C ATOM 135 C ASN A 11 -8.816 -30.687 10.592 1.00 0.00 C ATOM 136 O ASN A 11 -8.446 -31.148 9.513 1.00 0.00 O ATOM 137 CB ASN A 11 -10.472 -32.531 10.896 1.00 0.00 C ATOM 138 CG ASN A 11 -11.679 -32.985 11.711 1.00 0.00 C ATOM 139 OD1 ASN A 11 -11.841 -34.178 11.968 1.00 0.00 O ATOM 140 ND2 ASN A 11 -12.543 -32.102 12.131 1.00 0.00 N ATOM 0 H ASN A 11 -11.704 -30.644 9.789 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.160 -30.883 12.249 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.664 -32.679 9.833 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.603 -33.137 11.150 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.354 -32.400 12.673 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.407 -31.114 11.917 1.00 0.00 H new ATOM 147 N ASP A 12 -8.076 -29.853 11.314 1.00 0.00 N ATOM 148 CA ASP A 12 -6.755 -29.428 10.861 1.00 0.00 C ATOM 149 C ASP A 12 -5.755 -30.577 10.976 1.00 0.00 C ATOM 150 O ASP A 12 -5.974 -31.659 10.429 1.00 0.00 O ATOM 151 CB ASP A 12 -6.275 -28.239 11.698 1.00 0.00 C ATOM 152 CG ASP A 12 -7.262 -27.083 11.582 1.00 0.00 C ATOM 153 OD1 ASP A 12 -8.406 -27.336 11.239 1.00 0.00 O ATOM 154 OD2 ASP A 12 -6.859 -25.959 11.837 1.00 0.00 O ATOM 0 H ASP A 12 -8.365 -29.460 12.210 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.826 -29.129 9.815 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.173 -28.537 12.742 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.289 -27.921 11.360 1.00 0.00 H new ATOM 159 N ASN A 13 -4.659 -30.337 11.690 1.00 0.00 N ATOM 160 CA ASN A 13 -3.633 -31.358 11.874 1.00 0.00 C ATOM 161 C ASN A 13 -2.792 -31.052 13.110 1.00 0.00 C ATOM 162 O ASN A 13 -2.655 -31.889 14.001 1.00 0.00 O ATOM 163 CB ASN A 13 -2.730 -31.428 10.639 1.00 0.00 C ATOM 164 CG ASN A 13 -1.829 -32.653 10.723 1.00 0.00 C ATOM 165 OD1 ASN A 13 -1.881 -33.524 9.855 1.00 0.00 O ATOM 166 ND2 ASN A 13 -0.998 -32.771 11.721 1.00 0.00 N ATOM 0 H ASN A 13 -4.459 -29.448 12.149 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.126 -32.320 12.012 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.338 -31.475 9.736 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.124 -30.525 10.569 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.389 -33.587 11.784 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.957 -32.048 12.439 1.00 0.00 H new ATOM 173 N GLY A 14 -2.232 -29.842 13.160 1.00 0.00 N ATOM 174 CA GLY A 14 -1.404 -29.427 14.293 1.00 0.00 C ATOM 175 C GLY A 14 -0.238 -28.565 13.821 1.00 0.00 C ATOM 176 O GLY A 14 0.863 -29.067 13.591 1.00 0.00 O ATOM 0 H GLY A 14 -2.336 -29.135 12.432 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.009 -28.869 15.007 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.025 -30.306 14.814 1.00 0.00 H new ATOM 180 N LYS A 15 -0.487 -27.268 13.674 1.00 0.00 N ATOM 181 CA LYS A 15 0.552 -26.346 13.223 1.00 0.00 C ATOM 182 C LYS A 15 0.210 -24.913 13.619 1.00 0.00 C ATOM 183 O LYS A 15 0.039 -24.047 12.761 1.00 0.00 O ATOM 184 CB LYS A 15 0.701 -26.438 11.703 1.00 0.00 C ATOM 185 CG LYS A 15 -0.685 -26.430 11.052 1.00 0.00 C ATOM 186 CD LYS A 15 -0.549 -26.333 9.512 1.00 0.00 C ATOM 187 CE LYS A 15 -1.622 -27.193 8.838 1.00 0.00 C ATOM 188 NZ LYS A 15 -2.971 -26.745 9.283 1.00 0.00 N ATOM 0 H LYS A 15 -1.391 -26.833 13.858 1.00 0.00 H new ATOM 0 HA LYS A 15 1.492 -26.624 13.700 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.293 -25.600 11.334 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.236 -27.349 11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.227 -27.337 11.321 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.267 -25.588 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.650 -25.295 9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.442 -26.666 9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.540 -27.112 7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.474 -28.243 9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.695 -27.142 8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.143 -27.073 10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.019 -25.706 9.255 1.00 0.00 H new ATOM 202 N GLY A 16 0.110 -24.670 14.927 1.00 0.00 N ATOM 203 CA GLY A 16 -0.213 -23.337 15.440 1.00 0.00 C ATOM 204 C GLY A 16 0.996 -22.711 16.127 1.00 0.00 C ATOM 205 O GLY A 16 0.862 -22.038 17.149 1.00 0.00 O ATOM 0 H GLY A 16 0.248 -25.377 15.649 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.542 -22.698 14.621 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.042 -23.405 16.145 1.00 0.00 H new ATOM 209 N GLY A 17 2.178 -22.940 15.560 1.00 0.00 N ATOM 210 CA GLY A 17 3.412 -22.397 16.124 1.00 0.00 C ATOM 211 C GLY A 17 3.711 -21.015 15.551 1.00 0.00 C ATOM 212 O GLY A 17 4.635 -20.337 15.999 1.00 0.00 O ATOM 0 H GLY A 17 2.308 -23.495 14.714 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.324 -22.334 17.209 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.242 -23.071 15.910 1.00 0.00 H new ATOM 216 N GLU A 18 2.925 -20.608 14.560 1.00 0.00 N ATOM 217 CA GLU A 18 3.114 -19.304 13.932 1.00 0.00 C ATOM 218 C GLU A 18 4.508 -19.203 13.323 1.00 0.00 C ATOM 219 O GLU A 18 5.474 -19.736 13.869 1.00 0.00 O ATOM 220 CB GLU A 18 2.920 -18.194 14.966 1.00 0.00 C ATOM 221 CG GLU A 18 2.823 -16.842 14.256 1.00 0.00 C ATOM 222 CD GLU A 18 2.613 -15.731 15.279 1.00 0.00 C ATOM 223 OE1 GLU A 18 3.593 -15.289 15.854 1.00 0.00 O ATOM 224 OE2 GLU A 18 1.473 -15.340 15.473 1.00 0.00 O ATOM 0 H GLU A 18 2.156 -21.157 14.176 1.00 0.00 H new ATOM 0 HA GLU A 18 2.375 -19.190 13.139 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.015 -18.377 15.546 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.753 -18.188 15.669 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.733 -16.655 13.685 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.997 -16.854 13.545 1.00 0.00 H new ATOM 231 N LYS A 19 4.603 -18.521 12.181 1.00 0.00 N ATOM 232 CA LYS A 19 5.884 -18.360 11.488 1.00 0.00 C ATOM 233 C LYS A 19 6.446 -16.954 11.711 1.00 0.00 C ATOM 234 O LYS A 19 5.753 -16.062 12.200 1.00 0.00 O ATOM 235 CB LYS A 19 5.687 -18.623 9.975 1.00 0.00 C ATOM 236 CG LYS A 19 6.899 -19.368 9.362 1.00 0.00 C ATOM 237 CD LYS A 19 7.142 -20.766 9.997 1.00 0.00 C ATOM 238 CE LYS A 19 5.828 -21.453 10.405 1.00 0.00 C ATOM 239 NZ LYS A 19 4.900 -21.490 9.240 1.00 0.00 N ATOM 0 H LYS A 19 3.813 -18.073 11.717 1.00 0.00 H new ATOM 0 HA LYS A 19 6.597 -19.079 11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.782 -19.212 9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.542 -17.675 9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.741 -19.485 8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.794 -18.758 9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.676 -21.398 9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.782 -20.659 10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.029 -22.466 10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.367 -20.915 11.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.072 -20.892 9.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.390 -21.136 8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.589 -22.468 9.075 1.00 0.00 H new ATOM 253 N ALA A 20 7.709 -16.780 11.346 1.00 0.00 N ATOM 254 CA ALA A 20 8.379 -15.496 11.499 1.00 0.00 C ATOM 255 C ALA A 20 9.586 -15.427 10.573 1.00 0.00 C ATOM 256 O ALA A 20 10.622 -14.864 10.928 1.00 0.00 O ATOM 257 CB ALA A 20 8.835 -15.319 12.949 1.00 0.00 C ATOM 0 H ALA A 20 8.291 -17.513 10.941 1.00 0.00 H new ATOM 0 HA ALA A 20 7.682 -14.699 11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.336 -14.357 13.058 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.969 -15.354 13.610 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.526 -16.120 13.213 1.00 0.00 H new ATOM 263 N ASP A 21 9.451 -16.016 9.385 1.00 0.00 N ATOM 264 CA ASP A 21 10.547 -16.026 8.419 1.00 0.00 C ATOM 265 C ASP A 21 10.042 -16.185 6.982 1.00 0.00 C ATOM 266 O ASP A 21 10.711 -15.762 6.039 1.00 0.00 O ATOM 267 CB ASP A 21 11.510 -17.169 8.747 1.00 0.00 C ATOM 268 CG ASP A 21 12.722 -17.114 7.823 1.00 0.00 C ATOM 269 OD1 ASP A 21 12.542 -17.305 6.633 1.00 0.00 O ATOM 270 OD2 ASP A 21 13.812 -16.883 8.321 1.00 0.00 O ATOM 0 H ASP A 21 8.603 -16.488 9.071 1.00 0.00 H new ATOM 0 HA ASP A 21 11.059 -15.067 8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.831 -17.097 9.786 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.001 -18.127 8.636 1.00 0.00 H new ATOM 275 N ASN A 22 8.867 -16.797 6.809 1.00 0.00 N ATOM 276 CA ASN A 22 8.303 -17.003 5.477 1.00 0.00 C ATOM 277 C ASN A 22 7.204 -15.988 5.210 1.00 0.00 C ATOM 278 O ASN A 22 7.462 -14.806 4.979 1.00 0.00 O ATOM 279 CB ASN A 22 7.717 -18.418 5.385 1.00 0.00 C ATOM 280 CG ASN A 22 7.017 -18.632 4.049 1.00 0.00 C ATOM 281 OD1 ASN A 22 5.798 -18.497 3.955 1.00 0.00 O ATOM 282 ND2 ASN A 22 7.720 -18.973 3.005 1.00 0.00 N ATOM 0 H ASN A 22 8.292 -17.156 7.572 1.00 0.00 H new ATOM 0 HA ASN A 22 9.092 -16.879 4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.512 -19.154 5.505 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.010 -18.577 6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.259 -19.128 2.108 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.731 -19.084 3.085 1.00 0.00 H new ATOM 289 N ALA A 23 5.980 -16.476 5.245 1.00 0.00 N ATOM 290 CA ALA A 23 4.811 -15.645 5.008 1.00 0.00 C ATOM 291 C ALA A 23 4.637 -14.617 6.123 1.00 0.00 C ATOM 292 O ALA A 23 4.148 -13.513 5.892 1.00 0.00 O ATOM 293 CB ALA A 23 3.578 -16.540 4.940 1.00 0.00 C ATOM 0 H ALA A 23 5.766 -17.454 5.437 1.00 0.00 H new ATOM 0 HA ALA A 23 4.942 -15.108 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.694 -15.928 4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.693 -17.256 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.465 -17.076 5.882 1.00 0.00 H new ATOM 299 N ALA A 24 5.034 -14.989 7.334 1.00 0.00 N ATOM 300 CA ALA A 24 4.914 -14.083 8.471 1.00 0.00 C ATOM 301 C ALA A 24 5.797 -12.857 8.259 1.00 0.00 C ATOM 302 O ALA A 24 5.327 -11.718 8.308 1.00 0.00 O ATOM 303 CB ALA A 24 5.324 -14.807 9.756 1.00 0.00 C ATOM 0 H ALA A 24 5.437 -15.900 7.553 1.00 0.00 H new ATOM 0 HA ALA A 24 3.877 -13.759 8.559 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.233 -14.126 10.602 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.674 -15.668 9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.357 -15.143 9.670 1.00 0.00 H new ATOM 309 N GLN A 25 7.079 -13.105 8.012 1.00 0.00 N ATOM 310 CA GLN A 25 8.030 -12.031 7.780 1.00 0.00 C ATOM 311 C GLN A 25 7.544 -11.136 6.643 1.00 0.00 C ATOM 312 O GLN A 25 7.685 -9.914 6.694 1.00 0.00 O ATOM 313 CB GLN A 25 9.374 -12.655 7.424 1.00 0.00 C ATOM 314 CG GLN A 25 10.371 -11.577 6.988 1.00 0.00 C ATOM 315 CD GLN A 25 11.806 -12.093 7.128 1.00 0.00 C ATOM 316 OE1 GLN A 25 12.720 -11.307 7.381 1.00 0.00 O ATOM 317 NE2 GLN A 25 12.066 -13.369 6.983 1.00 0.00 N ATOM 0 H GLN A 25 7.481 -14.042 7.968 1.00 0.00 H new ATOM 0 HA GLN A 25 8.129 -11.417 8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.769 -13.196 8.284 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.243 -13.382 6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.179 -11.291 5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.238 -10.682 7.596 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.311 -14.023 6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.023 -13.709 7.080 1.00 0.00 H new ATOM 326 N VAL A 26 6.957 -11.759 5.626 1.00 0.00 N ATOM 327 CA VAL A 26 6.434 -11.023 4.481 1.00 0.00 C ATOM 328 C VAL A 26 5.386 -10.015 4.950 1.00 0.00 C ATOM 329 O VAL A 26 5.580 -8.806 4.845 1.00 0.00 O ATOM 330 CB VAL A 26 5.811 -12.017 3.475 1.00 0.00 C ATOM 331 CG1 VAL A 26 4.754 -11.328 2.600 1.00 0.00 C ATOM 332 CG2 VAL A 26 6.905 -12.593 2.575 1.00 0.00 C ATOM 0 H VAL A 26 6.832 -12.770 5.572 1.00 0.00 H new ATOM 0 HA VAL A 26 7.244 -10.482 3.992 1.00 0.00 H new ATOM 0 HB VAL A 26 5.331 -12.815 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.332 -12.051 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.961 -10.930 3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.217 -10.513 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.462 -13.293 1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.391 -11.784 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.643 -13.113 3.186 1.00 0.00 H new ATOM 342 N LYS A 27 4.271 -10.536 5.458 1.00 0.00 N ATOM 343 CA LYS A 27 3.175 -9.696 5.936 1.00 0.00 C ATOM 344 C LYS A 27 3.692 -8.425 6.600 1.00 0.00 C ATOM 345 O LYS A 27 3.397 -7.317 6.151 1.00 0.00 O ATOM 346 CB LYS A 27 2.329 -10.481 6.933 1.00 0.00 C ATOM 347 CG LYS A 27 1.555 -11.574 6.196 1.00 0.00 C ATOM 348 CD LYS A 27 0.974 -12.566 7.206 1.00 0.00 C ATOM 349 CE LYS A 27 0.080 -11.825 8.202 1.00 0.00 C ATOM 350 NZ LYS A 27 -0.745 -10.817 7.478 1.00 0.00 N ATOM 0 H LYS A 27 4.103 -11.538 5.549 1.00 0.00 H new ATOM 0 HA LYS A 27 2.572 -9.407 5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.967 -10.925 7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.637 -9.812 7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.753 -11.130 5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.214 -12.093 5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.399 -13.333 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.780 -13.075 7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.566 -12.532 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.691 -11.334 8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.594 -10.597 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.189 -9.950 7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.029 -11.200 6.554 1.00 0.00 H new ATOM 364 N ASP A 28 4.462 -8.590 7.668 1.00 0.00 N ATOM 365 CA ASP A 28 5.008 -7.441 8.376 1.00 0.00 C ATOM 366 C ASP A 28 5.769 -6.535 7.414 1.00 0.00 C ATOM 367 O ASP A 28 5.803 -5.315 7.586 1.00 0.00 O ATOM 368 CB ASP A 28 5.948 -7.911 9.488 1.00 0.00 C ATOM 369 CG ASP A 28 5.215 -8.871 10.419 1.00 0.00 C ATOM 370 OD1 ASP A 28 3.999 -8.933 10.337 1.00 0.00 O ATOM 371 OD2 ASP A 28 5.881 -9.530 11.200 1.00 0.00 O ATOM 0 H ASP A 28 4.720 -9.496 8.059 1.00 0.00 H new ATOM 0 HA ASP A 28 4.182 -6.879 8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.818 -8.404 9.055 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.315 -7.053 10.052 1.00 0.00 H new ATOM 376 N ALA A 29 6.386 -7.142 6.405 1.00 0.00 N ATOM 377 CA ALA A 29 7.158 -6.387 5.425 1.00 0.00 C ATOM 378 C ALA A 29 6.253 -5.624 4.458 1.00 0.00 C ATOM 379 O ALA A 29 6.692 -4.668 3.820 1.00 0.00 O ATOM 380 CB ALA A 29 8.065 -7.333 4.636 1.00 0.00 C ATOM 0 H ALA A 29 6.367 -8.149 6.245 1.00 0.00 H new ATOM 0 HA ALA A 29 7.761 -5.660 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.639 -6.762 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.748 -7.837 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.456 -8.075 4.119 1.00 0.00 H new ATOM 386 N LEU A 30 4.991 -6.039 4.345 1.00 0.00 N ATOM 387 CA LEU A 30 4.067 -5.359 3.438 1.00 0.00 C ATOM 388 C LEU A 30 3.503 -4.106 4.096 1.00 0.00 C ATOM 389 O LEU A 30 3.526 -3.021 3.510 1.00 0.00 O ATOM 390 CB LEU A 30 2.920 -6.292 3.044 1.00 0.00 C ATOM 391 CG LEU A 30 3.469 -7.594 2.443 1.00 0.00 C ATOM 392 CD1 LEU A 30 2.307 -8.557 2.209 1.00 0.00 C ATOM 393 CD2 LEU A 30 4.180 -7.311 1.110 1.00 0.00 C ATOM 0 H LEU A 30 4.592 -6.825 4.858 1.00 0.00 H new ATOM 0 HA LEU A 30 4.618 -5.074 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.310 -6.517 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.272 -5.796 2.322 1.00 0.00 H new ATOM 0 HG LEU A 30 4.189 -8.034 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.685 -9.486 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.813 -8.768 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.593 -8.105 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.563 -8.244 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.474 -6.866 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.007 -6.622 1.278 1.00 0.00 H new ATOM 405 N THR A 31 3.005 -4.251 5.318 1.00 0.00 N ATOM 406 CA THR A 31 2.455 -3.107 6.027 1.00 0.00 C ATOM 407 C THR A 31 3.541 -2.062 6.217 1.00 0.00 C ATOM 408 O THR A 31 3.262 -0.870 6.322 1.00 0.00 O ATOM 409 CB THR A 31 1.902 -3.533 7.384 1.00 0.00 C ATOM 410 OG1 THR A 31 1.402 -2.392 8.067 1.00 0.00 O ATOM 411 CG2 THR A 31 3.015 -4.177 8.210 1.00 0.00 C ATOM 0 H THR A 31 2.971 -5.133 5.829 1.00 0.00 H new ATOM 0 HA THR A 31 1.640 -2.685 5.439 1.00 0.00 H new ATOM 0 HB THR A 31 1.097 -4.253 7.240 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.045 -2.663 8.938 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.619 -4.481 9.179 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.399 -5.051 7.684 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.822 -3.459 8.357 1.00 0.00 H new ATOM 419 N LYS A 32 4.788 -2.525 6.239 1.00 0.00 N ATOM 420 CA LYS A 32 5.921 -1.621 6.393 1.00 0.00 C ATOM 421 C LYS A 32 5.772 -0.464 5.416 1.00 0.00 C ATOM 422 O LYS A 32 5.773 0.701 5.811 1.00 0.00 O ATOM 423 CB LYS A 32 7.235 -2.372 6.131 1.00 0.00 C ATOM 424 CG LYS A 32 8.455 -1.448 6.393 1.00 0.00 C ATOM 425 CD LYS A 32 8.999 -0.884 5.071 1.00 0.00 C ATOM 426 CE LYS A 32 10.075 0.162 5.367 1.00 0.00 C ATOM 427 NZ LYS A 32 11.040 -0.385 6.362 1.00 0.00 N ATOM 0 H LYS A 32 5.037 -3.510 6.153 1.00 0.00 H new ATOM 0 HA LYS A 32 5.943 -1.234 7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.293 -3.250 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.257 -2.729 5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.164 -0.630 7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.238 -2.007 6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.416 -1.688 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.190 -0.436 4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.597 0.432 4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.616 1.072 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.916 0.174 6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.623 -0.337 7.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.255 -1.375 6.129 1.00 0.00 H new ATOM 441 N MET A 33 5.609 -0.799 4.139 1.00 0.00 N ATOM 442 CA MET A 33 5.424 0.220 3.117 1.00 0.00 C ATOM 443 C MET A 33 4.141 0.982 3.409 1.00 0.00 C ATOM 444 O MET A 33 4.163 2.193 3.617 1.00 0.00 O ATOM 445 CB MET A 33 5.343 -0.427 1.733 1.00 0.00 C ATOM 446 CG MET A 33 6.723 -0.955 1.336 1.00 0.00 C ATOM 447 SD MET A 33 6.663 -1.590 -0.359 1.00 0.00 S ATOM 448 CE MET A 33 6.193 -3.289 0.052 1.00 0.00 C ATOM 0 H MET A 33 5.602 -1.758 3.792 1.00 0.00 H new ATOM 0 HA MET A 33 6.272 0.905 3.128 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.619 -1.242 1.742 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.995 0.300 0.999 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.464 -0.159 1.411 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.033 -1.745 2.021 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.098 -3.872 -0.864 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.958 -3.734 0.688 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.240 -3.285 0.580 1.00 0.00 H new ATOM 458 N ARG A 34 3.023 0.255 3.437 1.00 0.00 N ATOM 459 CA ARG A 34 1.718 0.854 3.727 1.00 0.00 C ATOM 460 C ARG A 34 1.838 1.993 4.740 1.00 0.00 C ATOM 461 O ARG A 34 1.546 3.148 4.429 1.00 0.00 O ATOM 462 CB ARG A 34 0.789 -0.221 4.295 1.00 0.00 C ATOM 463 CG ARG A 34 -0.659 0.267 4.269 1.00 0.00 C ATOM 464 CD ARG A 34 -1.589 -0.918 4.539 1.00 0.00 C ATOM 465 NE ARG A 34 -2.947 -0.446 4.789 1.00 0.00 N ATOM 466 CZ ARG A 34 -3.744 -0.091 3.787 1.00 0.00 C ATOM 467 NH1 ARG A 34 -3.316 -0.163 2.555 1.00 0.00 N ATOM 468 NH2 ARG A 34 -4.953 0.330 4.034 1.00 0.00 N ATOM 0 H ARG A 34 2.994 -0.750 3.262 1.00 0.00 H new ATOM 0 HA ARG A 34 1.316 1.261 2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.882 -1.138 3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.081 -0.462 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.809 1.042 5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.889 0.713 3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.583 -1.596 3.686 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.229 -1.484 5.398 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.290 -0.388 5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.370 -0.492 2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.928 0.110 1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.287 0.387 4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.565 0.603 3.265 1.00 0.00 H new ATOM 482 N ALA A 35 2.263 1.654 5.954 1.00 0.00 N ATOM 483 CA ALA A 35 2.412 2.654 7.005 1.00 0.00 C ATOM 484 C ALA A 35 3.383 3.748 6.576 1.00 0.00 C ATOM 485 O ALA A 35 3.281 4.890 7.022 1.00 0.00 O ATOM 486 CB ALA A 35 2.921 1.992 8.286 1.00 0.00 C ATOM 0 H ALA A 35 2.508 0.704 6.232 1.00 0.00 H new ATOM 0 HA ALA A 35 1.437 3.105 7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.030 2.745 9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.209 1.233 8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.887 1.525 8.095 1.00 0.00 H new ATOM 492 N ALA A 36 4.321 3.395 5.704 1.00 0.00 N ATOM 493 CA ALA A 36 5.302 4.360 5.221 1.00 0.00 C ATOM 494 C ALA A 36 4.634 5.369 4.297 1.00 0.00 C ATOM 495 O ALA A 36 4.765 6.575 4.483 1.00 0.00 O ATOM 496 CB ALA A 36 6.438 3.643 4.481 1.00 0.00 C ATOM 0 H ALA A 36 4.423 2.456 5.320 1.00 0.00 H new ATOM 0 HA ALA A 36 5.721 4.887 6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.162 4.377 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.930 2.946 5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.030 3.096 3.631 1.00 0.00 H new ATOM 502 N ALA A 37 3.908 4.867 3.305 1.00 0.00 N ATOM 503 CA ALA A 37 3.217 5.740 2.370 1.00 0.00 C ATOM 504 C ALA A 37 2.246 6.641 3.123 1.00 0.00 C ATOM 505 O ALA A 37 2.199 7.849 2.897 1.00 0.00 O ATOM 506 CB ALA A 37 2.452 4.904 1.341 1.00 0.00 C ATOM 0 H ALA A 37 3.784 3.870 3.130 1.00 0.00 H new ATOM 0 HA ALA A 37 3.952 6.357 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.937 5.566 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.151 4.273 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.722 4.277 1.852 1.00 0.00 H new ATOM 512 N LEU A 38 1.479 6.039 4.025 1.00 0.00 N ATOM 513 CA LEU A 38 0.510 6.798 4.815 1.00 0.00 C ATOM 514 C LEU A 38 1.236 7.817 5.695 1.00 0.00 C ATOM 515 O LEU A 38 1.026 9.030 5.586 1.00 0.00 O ATOM 516 CB LEU A 38 -0.318 5.831 5.688 1.00 0.00 C ATOM 517 CG LEU A 38 -1.690 6.431 6.020 1.00 0.00 C ATOM 518 CD1 LEU A 38 -2.550 5.365 6.701 1.00 0.00 C ATOM 519 CD2 LEU A 38 -1.523 7.632 6.959 1.00 0.00 C ATOM 0 H LEU A 38 1.506 5.040 4.228 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.161 7.334 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.448 4.884 5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.221 5.615 6.610 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.172 6.764 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.527 5.784 6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.674 4.515 6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.062 5.035 7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.502 8.052 7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.040 7.308 7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.908 8.390 6.474 1.00 0.00 H new ATOM 531 N ASP A 39 2.098 7.313 6.563 1.00 0.00 N ATOM 532 CA ASP A 39 2.861 8.171 7.457 1.00 0.00 C ATOM 533 C ASP A 39 3.541 9.297 6.677 1.00 0.00 C ATOM 534 O ASP A 39 3.397 10.472 7.005 1.00 0.00 O ATOM 535 CB ASP A 39 3.915 7.332 8.182 1.00 0.00 C ATOM 536 CG ASP A 39 4.786 8.219 9.064 1.00 0.00 C ATOM 537 OD1 ASP A 39 4.429 8.411 10.214 1.00 0.00 O ATOM 538 OD2 ASP A 39 5.796 8.697 8.574 1.00 0.00 O ATOM 0 H ASP A 39 2.287 6.316 6.668 1.00 0.00 H new ATOM 0 HA ASP A 39 2.182 8.619 8.182 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.427 6.570 8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.536 6.809 7.455 1.00 0.00 H new ATOM 543 N ALA A 40 4.290 8.928 5.649 1.00 0.00 N ATOM 544 CA ALA A 40 5.003 9.912 4.842 1.00 0.00 C ATOM 545 C ALA A 40 4.052 10.906 4.181 1.00 0.00 C ATOM 546 O ALA A 40 4.354 12.096 4.095 1.00 0.00 O ATOM 547 CB ALA A 40 5.828 9.200 3.769 1.00 0.00 C ATOM 0 H ALA A 40 4.421 7.961 5.353 1.00 0.00 H new ATOM 0 HA ALA A 40 5.659 10.472 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.359 9.939 3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.548 8.534 4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.166 8.619 3.127 1.00 0.00 H new ATOM 553 N GLN A 41 2.912 10.421 3.707 1.00 0.00 N ATOM 554 CA GLN A 41 1.953 11.294 3.044 1.00 0.00 C ATOM 555 C GLN A 41 1.712 12.552 3.880 1.00 0.00 C ATOM 556 O GLN A 41 1.745 13.661 3.348 1.00 0.00 O ATOM 557 CB GLN A 41 0.636 10.503 2.751 1.00 0.00 C ATOM 558 CG GLN A 41 -0.661 11.348 2.990 1.00 0.00 C ATOM 559 CD GLN A 41 -1.408 10.870 4.234 1.00 0.00 C ATOM 560 OE1 GLN A 41 -2.629 10.717 4.204 1.00 0.00 O ATOM 561 NE2 GLN A 41 -0.746 10.621 5.326 1.00 0.00 N ATOM 0 H GLN A 41 2.631 9.442 3.768 1.00 0.00 H new ATOM 0 HA GLN A 41 2.354 11.626 2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.651 10.157 1.717 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.605 9.616 3.384 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.398 12.400 3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.313 11.273 2.120 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.266 10.748 5.349 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.239 10.299 6.159 1.00 0.00 H new ATOM 570 N LYS A 42 1.436 12.393 5.173 1.00 0.00 N ATOM 571 CA LYS A 42 1.158 13.571 6.015 1.00 0.00 C ATOM 572 C LYS A 42 1.653 13.370 7.445 1.00 0.00 C ATOM 573 O LYS A 42 0.947 13.640 8.416 1.00 0.00 O ATOM 574 CB LYS A 42 -0.362 13.877 5.992 1.00 0.00 C ATOM 575 CG LYS A 42 -0.682 14.899 4.885 1.00 0.00 C ATOM 576 CD LYS A 42 -2.187 15.205 4.848 1.00 0.00 C ATOM 577 CE LYS A 42 -3.006 13.917 4.674 1.00 0.00 C ATOM 578 NZ LYS A 42 -3.250 13.296 6.008 1.00 0.00 N ATOM 0 H LYS A 42 1.397 11.495 5.655 1.00 0.00 H new ATOM 0 HA LYS A 42 1.701 14.423 5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.923 12.958 5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.676 14.268 6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.123 15.818 5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.361 14.509 3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.483 15.707 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.402 15.891 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.955 14.140 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.473 13.219 4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.837 12.342 6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.809 13.879 6.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.274 13.234 6.180 1.00 0.00 H new ATOM 592 N ALA A 43 2.894 12.934 7.560 1.00 0.00 N ATOM 593 CA ALA A 43 3.507 12.742 8.881 1.00 0.00 C ATOM 594 C ALA A 43 5.022 12.930 8.795 1.00 0.00 C ATOM 595 O ALA A 43 5.595 13.748 9.513 1.00 0.00 O ATOM 596 CB ALA A 43 3.163 11.353 9.450 1.00 0.00 C ATOM 0 H ALA A 43 3.499 12.706 6.771 1.00 0.00 H new ATOM 0 HA ALA A 43 3.102 13.493 9.560 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.628 11.235 10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.082 11.258 9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.535 10.581 8.776 1.00 0.00 H new ATOM 602 N THR A 44 5.665 12.169 7.910 1.00 0.00 N ATOM 603 CA THR A 44 7.112 12.258 7.729 1.00 0.00 C ATOM 604 C THR A 44 7.451 12.875 6.371 1.00 0.00 C ATOM 605 O THR A 44 7.769 12.154 5.425 1.00 0.00 O ATOM 606 CB THR A 44 7.723 10.855 7.832 1.00 0.00 C ATOM 607 OG1 THR A 44 7.440 10.316 9.115 1.00 0.00 O ATOM 608 CG2 THR A 44 9.237 10.933 7.634 1.00 0.00 C ATOM 0 H THR A 44 5.207 11.485 7.308 1.00 0.00 H new ATOM 0 HA THR A 44 7.526 12.898 8.508 1.00 0.00 H new ATOM 0 HB THR A 44 7.294 10.215 7.061 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.049 9.423 9.016 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.666 9.934 7.708 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.454 11.349 6.650 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.672 11.572 8.402 1.00 0.00 H new ATOM 616 N PRO A 45 7.396 14.190 6.247 1.00 0.00 N ATOM 617 CA PRO A 45 7.711 14.888 4.969 1.00 0.00 C ATOM 618 C PRO A 45 8.843 14.192 4.198 1.00 0.00 C ATOM 619 O PRO A 45 10.015 14.359 4.533 1.00 0.00 O ATOM 620 CB PRO A 45 8.131 16.274 5.448 1.00 0.00 C ATOM 621 CG PRO A 45 7.251 16.530 6.628 1.00 0.00 C ATOM 622 CD PRO A 45 7.026 15.163 7.301 1.00 0.00 C ATOM 0 HA PRO A 45 6.875 14.901 4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.185 16.299 5.723 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.987 17.025 4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.720 17.231 7.318 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.304 16.972 6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.647 15.047 8.190 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.990 15.037 7.617 1.00 0.00 H new ATOM 630 N PRO A 46 8.520 13.397 3.200 1.00 0.00 N ATOM 631 CA PRO A 46 9.537 12.648 2.403 1.00 0.00 C ATOM 632 C PRO A 46 10.145 13.484 1.276 1.00 0.00 C ATOM 633 O PRO A 46 11.011 14.327 1.513 1.00 0.00 O ATOM 634 CB PRO A 46 8.712 11.486 1.849 1.00 0.00 C ATOM 635 CG PRO A 46 7.379 12.100 1.580 1.00 0.00 C ATOM 636 CD PRO A 46 7.154 13.116 2.708 1.00 0.00 C ATOM 0 HA PRO A 46 10.400 12.346 2.996 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.155 11.076 0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.640 10.668 2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.362 12.587 0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.594 11.344 1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.666 14.019 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.520 12.707 3.495 1.00 0.00 H new ATOM 644 N LYS A 47 9.692 13.234 0.049 1.00 0.00 N ATOM 645 CA LYS A 47 10.200 13.953 -1.111 1.00 0.00 C ATOM 646 C LYS A 47 9.644 15.371 -1.144 1.00 0.00 C ATOM 647 O LYS A 47 10.187 16.249 -1.815 1.00 0.00 O ATOM 648 CB LYS A 47 9.798 13.198 -2.396 1.00 0.00 C ATOM 649 CG LYS A 47 10.881 12.174 -2.772 1.00 0.00 C ATOM 650 CD LYS A 47 12.014 12.878 -3.536 1.00 0.00 C ATOM 651 CE LYS A 47 13.308 12.067 -3.410 1.00 0.00 C ATOM 652 NZ LYS A 47 13.844 12.202 -2.027 1.00 0.00 N ATOM 0 H LYS A 47 8.976 12.540 -0.164 1.00 0.00 H new ATOM 0 HA LYS A 47 11.287 14.011 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.845 12.691 -2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.657 13.906 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.275 11.700 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.451 11.384 -3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.743 12.987 -4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.163 13.882 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.116 11.018 -3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.043 12.420 -4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.871 12.038 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.649 13.160 -1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.387 11.503 -1.408 1.00 0.00 H new ATOM 666 N LEU A 48 8.561 15.583 -0.418 1.00 0.00 N ATOM 667 CA LEU A 48 7.939 16.902 -0.372 1.00 0.00 C ATOM 668 C LEU A 48 8.745 17.838 0.521 1.00 0.00 C ATOM 669 O LEU A 48 8.203 18.474 1.425 1.00 0.00 O ATOM 670 CB LEU A 48 6.491 16.809 0.135 1.00 0.00 C ATOM 671 CG LEU A 48 5.860 15.496 -0.344 1.00 0.00 C ATOM 672 CD1 LEU A 48 4.393 15.446 0.095 1.00 0.00 C ATOM 673 CD2 LEU A 48 5.950 15.402 -1.872 1.00 0.00 C ATOM 0 H LEU A 48 8.095 14.870 0.143 1.00 0.00 H new ATOM 0 HA LEU A 48 7.924 17.304 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.473 16.857 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.912 17.657 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 48 6.398 14.655 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.943 14.513 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.336 15.501 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.854 16.288 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.500 14.467 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.418 16.241 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.996 15.431 -2.177 1.00 0.00 H new ATOM 685 N GLU A 49 10.041 17.921 0.251 1.00 0.00 N ATOM 686 CA GLU A 49 10.917 18.788 1.026 1.00 0.00 C ATOM 687 C GLU A 49 10.583 20.252 0.756 1.00 0.00 C ATOM 688 O GLU A 49 10.703 21.099 1.640 1.00 0.00 O ATOM 689 CB GLU A 49 12.378 18.519 0.658 1.00 0.00 C ATOM 690 CG GLU A 49 13.293 19.314 1.591 1.00 0.00 C ATOM 691 CD GLU A 49 14.752 18.988 1.294 1.00 0.00 C ATOM 692 OE1 GLU A 49 14.999 18.306 0.313 1.00 0.00 O ATOM 693 OE2 GLU A 49 15.602 19.424 2.053 1.00 0.00 O ATOM 0 H GLU A 49 10.506 17.402 -0.494 1.00 0.00 H new ATOM 0 HA GLU A 49 10.768 18.578 2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.595 17.454 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.562 18.803 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.117 20.382 1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.063 19.076 2.629 1.00 0.00 H new ATOM 700 N ASP A 50 10.164 20.542 -0.474 1.00 0.00 N ATOM 701 CA ASP A 50 9.818 21.908 -0.850 1.00 0.00 C ATOM 702 C ASP A 50 8.915 21.927 -2.081 1.00 0.00 C ATOM 703 O ASP A 50 9.197 22.623 -3.056 1.00 0.00 O ATOM 704 CB ASP A 50 11.088 22.706 -1.142 1.00 0.00 C ATOM 705 CG ASP A 50 10.740 24.175 -1.361 1.00 0.00 C ATOM 706 OD1 ASP A 50 9.570 24.463 -1.558 1.00 0.00 O ATOM 707 OD2 ASP A 50 11.647 24.990 -1.327 1.00 0.00 O ATOM 0 H ASP A 50 10.057 19.855 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 50 9.281 22.361 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.788 22.609 -0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.584 22.305 -2.026 1.00 0.00 H new ATOM 712 N LYS A 51 7.822 21.168 -2.029 1.00 0.00 N ATOM 713 CA LYS A 51 6.884 21.121 -3.148 1.00 0.00 C ATOM 714 C LYS A 51 5.502 20.673 -2.674 1.00 0.00 C ATOM 715 O LYS A 51 4.937 19.719 -3.200 1.00 0.00 O ATOM 716 CB LYS A 51 7.394 20.173 -4.237 1.00 0.00 C ATOM 717 CG LYS A 51 7.757 18.821 -3.616 1.00 0.00 C ATOM 718 CD LYS A 51 8.257 17.851 -4.704 1.00 0.00 C ATOM 719 CE LYS A 51 7.072 17.130 -5.367 1.00 0.00 C ATOM 720 NZ LYS A 51 6.666 15.968 -4.529 1.00 0.00 N ATOM 0 H LYS A 51 7.566 20.583 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 51 6.803 22.125 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.630 20.039 -5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.266 20.604 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.528 18.957 -2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.887 18.398 -3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.824 18.400 -5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.935 17.120 -4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.234 17.817 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.350 16.792 -6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.595 15.118 -5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.376 15.811 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.743 16.162 -4.091 1.00 0.00 H new ATOM 734 N SER A 52 4.982 21.385 -1.673 1.00 0.00 N ATOM 735 CA SER A 52 3.661 21.102 -1.099 1.00 0.00 C ATOM 736 C SER A 52 2.618 20.871 -2.206 1.00 0.00 C ATOM 737 O SER A 52 2.964 20.863 -3.384 1.00 0.00 O ATOM 738 CB SER A 52 3.267 22.285 -0.196 1.00 0.00 C ATOM 739 OG SER A 52 2.759 21.795 1.038 1.00 0.00 O ATOM 0 H SER A 52 5.461 22.173 -1.237 1.00 0.00 H new ATOM 0 HA SER A 52 3.699 20.187 -0.508 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.133 22.923 -0.017 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.516 22.899 -0.692 1.00 0.00 H new ATOM 0 HG SER A 52 2.102 22.428 1.396 1.00 0.00 H new ATOM 745 N PRO A 53 1.363 20.664 -1.848 1.00 0.00 N ATOM 746 CA PRO A 53 0.261 20.408 -2.839 1.00 0.00 C ATOM 747 C PRO A 53 0.118 21.495 -3.914 1.00 0.00 C ATOM 748 O PRO A 53 -0.995 21.879 -4.278 1.00 0.00 O ATOM 749 CB PRO A 53 -1.004 20.321 -1.967 1.00 0.00 C ATOM 750 CG PRO A 53 -0.507 19.947 -0.610 1.00 0.00 C ATOM 751 CD PRO A 53 0.849 20.632 -0.465 1.00 0.00 C ATOM 0 HA PRO A 53 0.461 19.505 -3.416 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.536 21.272 -1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.700 19.576 -2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.198 20.278 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.412 18.866 -0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.751 21.635 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.512 20.076 0.198 1.00 0.00 H new ATOM 759 N ASP A 54 1.246 21.970 -4.423 1.00 0.00 N ATOM 760 CA ASP A 54 1.266 22.995 -5.467 1.00 0.00 C ATOM 761 C ASP A 54 1.550 22.338 -6.813 1.00 0.00 C ATOM 762 O ASP A 54 0.688 22.286 -7.692 1.00 0.00 O ATOM 763 CB ASP A 54 2.360 24.020 -5.163 1.00 0.00 C ATOM 764 CG ASP A 54 2.327 25.139 -6.199 1.00 0.00 C ATOM 765 OD1 ASP A 54 2.689 24.879 -7.334 1.00 0.00 O ATOM 766 OD2 ASP A 54 1.943 26.240 -5.841 1.00 0.00 O ATOM 0 H ASP A 54 2.172 21.660 -4.128 1.00 0.00 H new ATOM 0 HA ASP A 54 0.299 23.497 -5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.216 24.433 -4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.336 23.535 -5.170 1.00 0.00 H new ATOM 771 N SER A 55 2.765 21.815 -6.948 1.00 0.00 N ATOM 772 CA SER A 55 3.176 21.130 -8.168 1.00 0.00 C ATOM 773 C SER A 55 2.437 19.793 -8.251 1.00 0.00 C ATOM 774 O SER A 55 1.573 19.518 -7.418 1.00 0.00 O ATOM 775 CB SER A 55 4.705 20.915 -8.132 1.00 0.00 C ATOM 776 OG SER A 55 5.273 21.811 -7.186 1.00 0.00 O ATOM 0 H SER A 55 3.484 21.853 -6.225 1.00 0.00 H new ATOM 0 HA SER A 55 2.930 21.724 -9.048 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.935 19.885 -7.861 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.133 21.088 -9.119 1.00 0.00 H new ATOM 0 HG SER A 55 6.244 21.681 -7.154 1.00 0.00 H new ATOM 782 N PRO A 56 2.754 18.953 -9.206 1.00 0.00 N ATOM 783 CA PRO A 56 2.096 17.617 -9.337 1.00 0.00 C ATOM 784 C PRO A 56 2.248 16.763 -8.068 1.00 0.00 C ATOM 785 O PRO A 56 2.055 15.550 -8.101 1.00 0.00 O ATOM 786 CB PRO A 56 2.809 16.974 -10.540 1.00 0.00 C ATOM 787 CG PRO A 56 3.362 18.126 -11.314 1.00 0.00 C ATOM 788 CD PRO A 56 3.747 19.170 -10.272 1.00 0.00 C ATOM 0 HA PRO A 56 1.019 17.703 -9.478 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.601 16.298 -10.216 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.116 16.388 -11.144 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.227 17.823 -11.904 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.623 18.521 -12.011 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.765 19.024 -9.911 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.693 20.182 -10.675 1.00 0.00 H new ATOM 796 N GLU A 57 2.582 17.402 -6.943 1.00 0.00 N ATOM 797 CA GLU A 57 2.729 16.682 -5.686 1.00 0.00 C ATOM 798 C GLU A 57 1.528 15.767 -5.490 1.00 0.00 C ATOM 799 O GLU A 57 1.660 14.549 -5.479 1.00 0.00 O ATOM 800 CB GLU A 57 2.832 17.680 -4.520 1.00 0.00 C ATOM 801 CG GLU A 57 2.636 16.956 -3.177 1.00 0.00 C ATOM 802 CD GLU A 57 2.996 17.880 -2.021 1.00 0.00 C ATOM 803 OE1 GLU A 57 4.174 18.040 -1.760 1.00 0.00 O ATOM 804 OE2 GLU A 57 2.086 18.409 -1.408 1.00 0.00 O ATOM 0 H GLU A 57 2.753 18.406 -6.882 1.00 0.00 H new ATOM 0 HA GLU A 57 3.639 16.082 -5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.805 18.171 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.080 18.460 -4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.601 16.628 -3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.258 16.062 -3.144 1.00 0.00 H new ATOM 811 N MET A 58 0.355 16.372 -5.354 1.00 0.00 N ATOM 812 CA MET A 58 -0.875 15.612 -5.175 1.00 0.00 C ATOM 813 C MET A 58 -0.930 14.479 -6.191 1.00 0.00 C ATOM 814 O MET A 58 -1.062 13.310 -5.833 1.00 0.00 O ATOM 815 CB MET A 58 -2.082 16.531 -5.358 1.00 0.00 C ATOM 816 CG MET A 58 -1.953 17.745 -4.430 1.00 0.00 C ATOM 817 SD MET A 58 -3.318 18.896 -4.740 1.00 0.00 S ATOM 818 CE MET A 58 -2.820 19.427 -6.400 1.00 0.00 C ATOM 0 H MET A 58 0.230 17.384 -5.364 1.00 0.00 H new ATOM 0 HA MET A 58 -0.895 15.193 -4.169 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.147 16.859 -6.395 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.001 15.988 -5.137 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.966 17.422 -3.389 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.998 18.244 -4.598 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.170 20.444 -6.577 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.733 19.398 -6.481 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.257 18.759 -7.142 1.00 0.00 H new ATOM 828 N LYS A 59 -0.803 14.830 -7.463 1.00 0.00 N ATOM 829 CA LYS A 59 -0.828 13.823 -8.518 1.00 0.00 C ATOM 830 C LYS A 59 0.112 12.674 -8.153 1.00 0.00 C ATOM 831 O LYS A 59 -0.146 11.516 -8.485 1.00 0.00 O ATOM 832 CB LYS A 59 -0.402 14.437 -9.862 1.00 0.00 C ATOM 833 CG LYS A 59 -1.472 15.429 -10.367 1.00 0.00 C ATOM 834 CD LYS A 59 -2.533 14.694 -11.191 1.00 0.00 C ATOM 835 CE LYS A 59 -3.616 15.683 -11.624 1.00 0.00 C ATOM 836 NZ LYS A 59 -4.478 15.056 -12.666 1.00 0.00 N ATOM 0 H LYS A 59 -0.683 15.789 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.845 13.445 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.553 14.950 -9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.253 13.647 -10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.942 15.929 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.002 16.203 -10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.075 14.234 -12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.974 13.890 -10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.220 15.975 -10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.158 16.591 -12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.214 15.730 -12.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.896 14.799 -13.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.926 14.201 -12.278 1.00 0.00 H new ATOM 850 N ASP A 60 1.199 13.009 -7.457 1.00 0.00 N ATOM 851 CA ASP A 60 2.176 12.006 -7.040 1.00 0.00 C ATOM 852 C ASP A 60 1.731 11.317 -5.752 1.00 0.00 C ATOM 853 O ASP A 60 1.831 10.100 -5.633 1.00 0.00 O ATOM 854 CB ASP A 60 3.540 12.662 -6.838 1.00 0.00 C ATOM 855 CG ASP A 60 4.629 11.598 -6.773 1.00 0.00 C ATOM 856 OD1 ASP A 60 4.313 10.475 -6.418 1.00 0.00 O ATOM 857 OD2 ASP A 60 5.765 11.922 -7.079 1.00 0.00 O ATOM 0 H ASP A 60 1.423 13.962 -7.172 1.00 0.00 H new ATOM 0 HA ASP A 60 2.252 11.252 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.744 13.353 -7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.538 13.248 -5.919 1.00 0.00 H new ATOM 862 N PHE A 61 1.214 12.089 -4.797 1.00 0.00 N ATOM 863 CA PHE A 61 0.735 11.499 -3.552 1.00 0.00 C ATOM 864 C PHE A 61 -0.537 10.727 -3.865 1.00 0.00 C ATOM 865 O PHE A 61 -0.607 9.514 -3.683 1.00 0.00 O ATOM 866 CB PHE A 61 0.454 12.587 -2.476 1.00 0.00 C ATOM 867 CG PHE A 61 -0.669 12.141 -1.545 1.00 0.00 C ATOM 868 CD1 PHE A 61 -0.694 10.828 -1.060 1.00 0.00 C ATOM 869 CD2 PHE A 61 -1.704 13.024 -1.211 1.00 0.00 C ATOM 870 CE1 PHE A 61 -1.747 10.402 -0.240 1.00 0.00 C ATOM 871 CE2 PHE A 61 -2.760 12.596 -0.399 1.00 0.00 C ATOM 872 CZ PHE A 61 -2.782 11.285 0.085 1.00 0.00 C ATOM 0 H PHE A 61 1.118 13.103 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 61 1.499 10.838 -3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.359 12.778 -1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.182 13.524 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.100 10.143 -1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.687 14.038 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.760 9.392 0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.558 13.279 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.598 10.954 0.710 1.00 0.00 H new ATOM 882 N ARG A 62 -1.544 11.455 -4.334 1.00 0.00 N ATOM 883 CA ARG A 62 -2.823 10.849 -4.669 1.00 0.00 C ATOM 884 C ARG A 62 -2.598 9.524 -5.385 1.00 0.00 C ATOM 885 O ARG A 62 -3.170 8.504 -5.025 1.00 0.00 O ATOM 886 CB ARG A 62 -3.651 11.792 -5.557 1.00 0.00 C ATOM 887 CG ARG A 62 -3.761 13.191 -4.914 1.00 0.00 C ATOM 888 CD ARG A 62 -4.913 13.233 -3.911 1.00 0.00 C ATOM 889 NE ARG A 62 -6.190 13.335 -4.607 1.00 0.00 N ATOM 890 CZ ARG A 62 -7.286 13.753 -3.981 1.00 0.00 C ATOM 891 NH1 ARG A 62 -7.233 14.075 -2.717 1.00 0.00 N ATOM 892 NH2 ARG A 62 -8.417 13.837 -4.628 1.00 0.00 N ATOM 0 H ARG A 62 -1.498 12.462 -4.490 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.374 10.668 -3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.188 11.874 -6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.647 11.376 -5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.826 13.441 -4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.918 13.942 -5.688 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.899 12.335 -3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.788 14.083 -3.240 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.244 13.081 -5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.351 14.006 -2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.074 14.396 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.460 13.582 -5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.257 14.158 -4.147 1.00 0.00 H new ATOM 906 N HIS A 63 -1.747 9.524 -6.397 1.00 0.00 N ATOM 907 CA HIS A 63 -1.477 8.290 -7.119 1.00 0.00 C ATOM 908 C HIS A 63 -0.497 7.420 -6.348 1.00 0.00 C ATOM 909 O HIS A 63 -0.793 6.279 -6.020 1.00 0.00 O ATOM 910 CB HIS A 63 -0.904 8.601 -8.499 1.00 0.00 C ATOM 911 CG HIS A 63 -1.058 7.411 -9.407 1.00 0.00 C ATOM 912 ND1 HIS A 63 -1.757 6.276 -9.029 1.00 0.00 N ATOM 913 CD2 HIS A 63 -0.609 7.166 -10.680 1.00 0.00 C ATOM 914 CE1 HIS A 63 -1.709 5.409 -10.056 1.00 0.00 C ATOM 915 NE2 HIS A 63 -1.022 5.902 -11.088 1.00 0.00 N ATOM 0 H HIS A 63 -1.241 10.344 -6.733 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.417 7.750 -7.231 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.416 9.463 -8.927 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.149 8.867 -8.412 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.023 7.851 -11.275 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.170 4.433 -10.046 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.839 5.449 -11.984 1.00 0.00 H new ATOM 924 N GLY A 64 0.678 7.970 -6.083 1.00 0.00 N ATOM 925 CA GLY A 64 1.718 7.239 -5.369 1.00 0.00 C ATOM 926 C GLY A 64 1.151 6.383 -4.243 1.00 0.00 C ATOM 927 O GLY A 64 1.593 5.250 -4.050 1.00 0.00 O ATOM 0 H GLY A 64 0.937 8.920 -6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.259 6.603 -6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.439 7.945 -4.958 1.00 0.00 H new ATOM 931 N PHE A 65 0.179 6.906 -3.490 1.00 0.00 N ATOM 932 CA PHE A 65 -0.391 6.116 -2.396 1.00 0.00 C ATOM 933 C PHE A 65 -1.392 5.127 -2.982 1.00 0.00 C ATOM 934 O PHE A 65 -1.578 4.034 -2.456 1.00 0.00 O ATOM 935 CB PHE A 65 -1.016 7.034 -1.295 1.00 0.00 C ATOM 936 CG PHE A 65 -2.508 6.794 -1.139 1.00 0.00 C ATOM 937 CD1 PHE A 65 -3.373 7.124 -2.180 1.00 0.00 C ATOM 938 CD2 PHE A 65 -3.018 6.241 0.043 1.00 0.00 C ATOM 939 CE1 PHE A 65 -4.738 6.910 -2.057 1.00 0.00 C ATOM 940 CE2 PHE A 65 -4.394 6.025 0.168 1.00 0.00 C ATOM 941 CZ PHE A 65 -5.252 6.361 -0.887 1.00 0.00 C ATOM 0 H PHE A 65 -0.218 7.838 -3.610 1.00 0.00 H new ATOM 0 HA PHE A 65 0.395 5.553 -1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.517 6.851 -0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.841 8.079 -1.551 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.978 7.550 -3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.352 5.983 0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.401 7.169 -2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.794 5.600 1.076 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.315 6.193 -0.792 1.00 0.00 H new ATOM 951 N ASP A 66 -1.997 5.505 -4.101 1.00 0.00 N ATOM 952 CA ASP A 66 -2.940 4.629 -4.773 1.00 0.00 C ATOM 953 C ASP A 66 -2.175 3.462 -5.386 1.00 0.00 C ATOM 954 O ASP A 66 -2.695 2.353 -5.519 1.00 0.00 O ATOM 955 CB ASP A 66 -3.685 5.396 -5.868 1.00 0.00 C ATOM 956 CG ASP A 66 -4.829 4.547 -6.414 1.00 0.00 C ATOM 957 OD1 ASP A 66 -5.692 4.181 -5.633 1.00 0.00 O ATOM 958 OD2 ASP A 66 -4.825 4.277 -7.604 1.00 0.00 O ATOM 0 H ASP A 66 -1.851 6.406 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.670 4.257 -4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.075 6.332 -5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.998 5.656 -6.673 1.00 0.00 H new ATOM 963 N ILE A 67 -0.924 3.738 -5.746 1.00 0.00 N ATOM 964 CA ILE A 67 -0.051 2.733 -6.339 1.00 0.00 C ATOM 965 C ILE A 67 0.438 1.763 -5.276 1.00 0.00 C ATOM 966 O ILE A 67 0.268 0.552 -5.394 1.00 0.00 O ATOM 967 CB ILE A 67 1.155 3.430 -6.987 1.00 0.00 C ATOM 968 CG1 ILE A 67 0.651 4.254 -8.171 1.00 0.00 C ATOM 969 CG2 ILE A 67 2.182 2.388 -7.468 1.00 0.00 C ATOM 970 CD1 ILE A 67 1.806 5.029 -8.816 1.00 0.00 C ATOM 0 H ILE A 67 -0.492 4.655 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.610 2.177 -7.092 1.00 0.00 H new ATOM 0 HB ILE A 67 1.645 4.077 -6.259 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.189 3.597 -8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.119 4.949 -7.836 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.031 2.897 -7.925 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.527 1.798 -6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.716 1.730 -8.201 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.429 5.610 -9.657 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.249 5.700 -8.081 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.562 4.328 -9.169 1.00 0.00 H new ATOM 982 N LEU A 68 1.065 2.315 -4.251 1.00 0.00 N ATOM 983 CA LEU A 68 1.612 1.500 -3.171 1.00 0.00 C ATOM 984 C LEU A 68 0.534 0.607 -2.544 1.00 0.00 C ATOM 985 O LEU A 68 0.757 -0.587 -2.344 1.00 0.00 O ATOM 986 CB LEU A 68 2.263 2.414 -2.110 1.00 0.00 C ATOM 987 CG LEU A 68 3.786 2.515 -2.368 1.00 0.00 C ATOM 988 CD1 LEU A 68 4.044 3.211 -3.706 1.00 0.00 C ATOM 989 CD2 LEU A 68 4.467 3.312 -1.255 1.00 0.00 C ATOM 0 H LEU A 68 1.209 3.319 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 68 2.374 0.840 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.812 3.406 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.080 2.016 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 68 4.196 1.505 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.118 3.278 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.581 2.638 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.617 4.214 -3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.537 3.373 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.047 4.317 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.303 2.815 -0.299 1.00 0.00 H new ATOM 1001 N VAL A 69 -0.624 1.180 -2.230 1.00 0.00 N ATOM 1002 CA VAL A 69 -1.701 0.399 -1.620 1.00 0.00 C ATOM 1003 C VAL A 69 -2.214 -0.664 -2.591 1.00 0.00 C ATOM 1004 O VAL A 69 -2.747 -1.693 -2.175 1.00 0.00 O ATOM 1005 CB VAL A 69 -2.868 1.307 -1.202 1.00 0.00 C ATOM 1006 CG1 VAL A 69 -2.365 2.480 -0.327 1.00 0.00 C ATOM 1007 CG2 VAL A 69 -3.566 1.847 -2.456 1.00 0.00 C ATOM 0 H VAL A 69 -0.841 2.165 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.293 -0.088 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.575 0.723 -0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.208 3.110 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.888 2.086 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.644 3.072 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.394 2.492 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.854 2.419 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.946 1.014 -3.048 1.00 0.00 H new ATOM 1017 N GLY A 70 -2.053 -0.406 -3.886 1.00 0.00 N ATOM 1018 CA GLY A 70 -2.509 -1.346 -4.906 1.00 0.00 C ATOM 1019 C GLY A 70 -1.554 -2.527 -5.021 1.00 0.00 C ATOM 1020 O GLY A 70 -1.970 -3.651 -5.306 1.00 0.00 O ATOM 0 H GLY A 70 -1.614 0.439 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.508 -1.704 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.583 -0.838 -5.868 1.00 0.00 H new ATOM 1024 N GLN A 71 -0.273 -2.267 -4.783 1.00 0.00 N ATOM 1025 CA GLN A 71 0.736 -3.316 -4.850 1.00 0.00 C ATOM 1026 C GLN A 71 0.782 -4.061 -3.526 1.00 0.00 C ATOM 1027 O GLN A 71 0.682 -5.287 -3.481 1.00 0.00 O ATOM 1028 CB GLN A 71 2.103 -2.703 -5.158 1.00 0.00 C ATOM 1029 CG GLN A 71 2.029 -1.950 -6.483 1.00 0.00 C ATOM 1030 CD GLN A 71 3.283 -1.114 -6.680 1.00 0.00 C ATOM 1031 OE1 GLN A 71 3.919 -1.188 -7.730 1.00 0.00 O ATOM 1032 NE2 GLN A 71 3.685 -0.324 -5.728 1.00 0.00 N ATOM 0 H GLN A 71 0.089 -1.344 -4.543 1.00 0.00 H new ATOM 0 HA GLN A 71 0.479 -4.016 -5.645 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.400 -2.026 -4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.861 -3.484 -5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.921 -2.656 -7.306 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.149 -1.308 -6.496 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.156 -0.264 -4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.529 0.235 -5.852 1.00 0.00 H new ATOM 1041 N ILE A 72 0.904 -3.299 -2.444 1.00 0.00 N ATOM 1042 CA ILE A 72 0.930 -3.874 -1.099 1.00 0.00 C ATOM 1043 C ILE A 72 -0.122 -4.986 -0.998 1.00 0.00 C ATOM 1044 O ILE A 72 0.153 -6.074 -0.487 1.00 0.00 O ATOM 1045 CB ILE A 72 0.657 -2.742 -0.077 1.00 0.00 C ATOM 1046 CG1 ILE A 72 1.974 -2.005 0.252 1.00 0.00 C ATOM 1047 CG2 ILE A 72 0.049 -3.294 1.224 1.00 0.00 C ATOM 1048 CD1 ILE A 72 1.667 -0.576 0.704 1.00 0.00 C ATOM 0 H ILE A 72 0.987 -2.283 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 72 1.903 -4.315 -0.884 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.057 -2.052 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.513 -2.537 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.621 -1.988 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.130 -2.473 1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.894 -3.793 1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.740 -4.007 1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.599 -0.059 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.146 -0.046 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.037 -0.603 1.593 1.00 0.00 H new ATOM 1060 N ASP A 73 -1.317 -4.704 -1.510 1.00 0.00 N ATOM 1061 CA ASP A 73 -2.395 -5.686 -1.494 1.00 0.00 C ATOM 1062 C ASP A 73 -2.059 -6.835 -2.440 1.00 0.00 C ATOM 1063 O ASP A 73 -2.059 -8.000 -2.042 1.00 0.00 O ATOM 1064 CB ASP A 73 -3.709 -5.030 -1.923 1.00 0.00 C ATOM 1065 CG ASP A 73 -4.869 -5.997 -1.708 1.00 0.00 C ATOM 1066 OD1 ASP A 73 -4.610 -7.184 -1.592 1.00 0.00 O ATOM 1067 OD2 ASP A 73 -5.998 -5.537 -1.663 1.00 0.00 O ATOM 0 H ASP A 73 -1.561 -3.811 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.507 -6.074 -0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.874 -4.118 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.655 -4.741 -2.973 1.00 0.00 H new ATOM 1072 N ASP A 74 -1.756 -6.494 -3.690 1.00 0.00 N ATOM 1073 CA ASP A 74 -1.400 -7.498 -4.680 1.00 0.00 C ATOM 1074 C ASP A 74 -0.303 -8.394 -4.126 1.00 0.00 C ATOM 1075 O ASP A 74 -0.201 -9.569 -4.480 1.00 0.00 O ATOM 1076 CB ASP A 74 -0.903 -6.819 -5.958 1.00 0.00 C ATOM 1077 CG ASP A 74 -0.911 -7.812 -7.117 1.00 0.00 C ATOM 1078 OD1 ASP A 74 -1.986 -8.264 -7.475 1.00 0.00 O ATOM 1079 OD2 ASP A 74 0.157 -8.103 -7.628 1.00 0.00 O ATOM 0 H ASP A 74 -1.751 -5.535 -4.037 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.281 -8.097 -4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.538 -5.965 -6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.105 -6.434 -5.806 1.00 0.00 H new ATOM 1084 N ALA A 75 0.519 -7.822 -3.253 1.00 0.00 N ATOM 1085 CA ALA A 75 1.610 -8.566 -2.650 1.00 0.00 C ATOM 1086 C ALA A 75 1.060 -9.709 -1.805 1.00 0.00 C ATOM 1087 O ALA A 75 1.260 -10.880 -2.127 1.00 0.00 O ATOM 1088 CB ALA A 75 2.463 -7.633 -1.788 1.00 0.00 C ATOM 0 H ALA A 75 0.448 -6.850 -2.951 1.00 0.00 H new ATOM 0 HA ALA A 75 2.234 -8.985 -3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.280 -8.198 -1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.872 -6.836 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.846 -7.199 -1.001 1.00 0.00 H new ATOM 1094 N LEU A 76 0.349 -9.367 -0.731 1.00 0.00 N ATOM 1095 CA LEU A 76 -0.233 -10.396 0.124 1.00 0.00 C ATOM 1096 C LEU A 76 -1.058 -11.340 -0.728 1.00 0.00 C ATOM 1097 O LEU A 76 -0.878 -12.546 -0.679 1.00 0.00 O ATOM 1098 CB LEU A 76 -1.132 -9.776 1.198 1.00 0.00 C ATOM 1099 CG LEU A 76 -1.570 -10.860 2.216 1.00 0.00 C ATOM 1100 CD1 LEU A 76 -0.509 -11.014 3.311 1.00 0.00 C ATOM 1101 CD2 LEU A 76 -2.895 -10.448 2.866 1.00 0.00 C ATOM 0 H LEU A 76 0.166 -8.407 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 76 0.576 -10.934 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.599 -8.977 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.010 -9.326 0.734 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.690 -11.807 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.827 -11.778 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.439 -11.309 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.383 -10.065 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.202 -11.211 3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.767 -9.497 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.660 -10.343 2.097 1.00 0.00 H new ATOM 1113 N LYS A 77 -1.953 -10.768 -1.525 1.00 0.00 N ATOM 1114 CA LYS A 77 -2.803 -11.546 -2.418 1.00 0.00 C ATOM 1115 C LYS A 77 -1.976 -12.634 -3.090 1.00 0.00 C ATOM 1116 O LYS A 77 -2.312 -13.814 -3.024 1.00 0.00 O ATOM 1117 CB LYS A 77 -3.407 -10.584 -3.450 1.00 0.00 C ATOM 1118 CG LYS A 77 -4.494 -11.275 -4.292 1.00 0.00 C ATOM 1119 CD LYS A 77 -3.857 -12.155 -5.415 1.00 0.00 C ATOM 1120 CE LYS A 77 -4.093 -13.663 -5.163 1.00 0.00 C ATOM 1121 NZ LYS A 77 -5.251 -14.123 -5.981 1.00 0.00 N ATOM 0 H LYS A 77 -2.109 -9.761 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.607 -12.035 -1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.834 -9.721 -2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.620 -10.210 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.118 -11.896 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.145 -10.524 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.281 -11.877 -6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.786 -11.958 -5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.200 -14.231 -5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.287 -13.841 -4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.413 -15.137 -5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.101 -13.588 -5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.048 -13.966 -6.989 1.00 0.00 H new ATOM 1135 N LEU A 78 -0.875 -12.239 -3.706 1.00 0.00 N ATOM 1136 CA LEU A 78 -0.011 -13.217 -4.355 1.00 0.00 C ATOM 1137 C LEU A 78 0.493 -14.225 -3.317 1.00 0.00 C ATOM 1138 O LEU A 78 0.514 -15.430 -3.566 1.00 0.00 O ATOM 1139 CB LEU A 78 1.173 -12.508 -5.044 1.00 0.00 C ATOM 1140 CG LEU A 78 1.573 -13.239 -6.341 1.00 0.00 C ATOM 1141 CD1 LEU A 78 2.885 -12.650 -6.862 1.00 0.00 C ATOM 1142 CD2 LEU A 78 1.763 -14.742 -6.075 1.00 0.00 C ATOM 0 H LEU A 78 -0.561 -11.271 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.579 -13.750 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.902 -11.477 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.025 -12.471 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 78 0.782 -13.110 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.175 -13.162 -7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.751 -11.588 -7.066 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.665 -12.780 -6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.045 -15.243 -7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.548 -14.884 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.831 -15.166 -5.703 1.00 0.00 H new ATOM 1154 N ALA A 79 0.888 -13.716 -2.150 1.00 0.00 N ATOM 1155 CA ALA A 79 1.380 -14.571 -1.072 1.00 0.00 C ATOM 1156 C ALA A 79 0.222 -15.320 -0.423 1.00 0.00 C ATOM 1157 O ALA A 79 0.424 -16.269 0.335 1.00 0.00 O ATOM 1158 CB ALA A 79 2.090 -13.719 -0.016 1.00 0.00 C ATOM 0 H ALA A 79 0.877 -12.720 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 79 2.082 -15.292 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.455 -14.362 0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.931 -13.198 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.391 -12.990 0.394 1.00 0.00 H new ATOM 1164 N ASN A 80 -0.993 -14.884 -0.738 1.00 0.00 N ATOM 1165 CA ASN A 80 -2.192 -15.507 -0.202 1.00 0.00 C ATOM 1166 C ASN A 80 -2.543 -16.710 -1.064 1.00 0.00 C ATOM 1167 O ASN A 80 -2.972 -17.752 -0.571 1.00 0.00 O ATOM 1168 CB ASN A 80 -3.350 -14.504 -0.212 1.00 0.00 C ATOM 1169 CG ASN A 80 -4.473 -14.988 0.700 1.00 0.00 C ATOM 1170 OD1 ASN A 80 -4.655 -16.192 0.878 1.00 0.00 O ATOM 1171 ND2 ASN A 80 -5.242 -14.115 1.292 1.00 0.00 N ATOM 0 H ASN A 80 -1.171 -14.099 -1.364 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.016 -15.826 0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.998 -13.527 0.119 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.725 -14.380 -1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.995 -14.430 1.903 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.090 -13.117 1.143 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.333 -16.541 -2.369 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.596 -17.588 -3.351 1.00 0.00 C ATOM 1180 C GLU A 81 -1.372 -17.749 -4.245 1.00 0.00 C ATOM 1181 O GLU A 81 -1.471 -17.663 -5.469 1.00 0.00 O ATOM 1182 CB GLU A 81 -3.803 -17.204 -4.212 1.00 0.00 C ATOM 1183 CG GLU A 81 -4.357 -18.446 -4.917 1.00 0.00 C ATOM 1184 CD GLU A 81 -5.072 -19.344 -3.913 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -6.249 -19.122 -3.683 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -4.432 -20.241 -3.389 1.00 0.00 O ATOM 0 H GLU A 81 -1.976 -15.675 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.808 -18.524 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.576 -16.753 -3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.511 -16.456 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.047 -18.148 -5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.545 -18.995 -5.394 1.00 0.00 H new ATOM 1193 N GLY A 82 -0.216 -17.953 -3.627 1.00 0.00 N ATOM 1194 CA GLY A 82 1.016 -18.088 -4.375 1.00 0.00 C ATOM 1195 C GLY A 82 2.208 -17.897 -3.441 1.00 0.00 C ATOM 1196 O GLY A 82 2.639 -16.773 -3.200 1.00 0.00 O ATOM 0 H GLY A 82 -0.111 -18.028 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.063 -19.071 -4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.048 -17.351 -5.177 1.00 0.00 H new ATOM 1200 N LYS A 83 2.687 -19.017 -2.903 1.00 0.00 N ATOM 1201 CA LYS A 83 3.812 -19.054 -1.955 1.00 0.00 C ATOM 1202 C LYS A 83 4.734 -17.815 -2.023 1.00 0.00 C ATOM 1203 O LYS A 83 4.820 -17.112 -3.032 1.00 0.00 O ATOM 1204 CB LYS A 83 4.586 -20.362 -2.154 1.00 0.00 C ATOM 1205 CG LYS A 83 5.444 -20.305 -3.436 1.00 0.00 C ATOM 1206 CD LYS A 83 6.894 -19.982 -3.066 1.00 0.00 C ATOM 1207 CE LYS A 83 7.621 -21.251 -2.565 1.00 0.00 C ATOM 1208 NZ LYS A 83 8.443 -20.910 -1.368 1.00 0.00 N ATOM 0 H LYS A 83 2.304 -19.939 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 83 3.397 -19.021 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.226 -20.545 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.888 -21.197 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.395 -21.259 -3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.053 -19.547 -4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.415 -19.576 -3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.916 -19.214 -2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.895 -22.024 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.256 -21.655 -3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.452 -20.939 -1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.196 -19.955 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.256 -21.598 -0.611 1.00 0.00 H new ATOM 1222 N VAL A 84 5.384 -17.551 -0.888 1.00 0.00 N ATOM 1223 CA VAL A 84 6.256 -16.382 -0.698 1.00 0.00 C ATOM 1224 C VAL A 84 7.300 -16.177 -1.797 1.00 0.00 C ATOM 1225 O VAL A 84 7.409 -15.086 -2.352 1.00 0.00 O ATOM 1226 CB VAL A 84 6.974 -16.486 0.663 1.00 0.00 C ATOM 1227 CG1 VAL A 84 7.957 -15.303 0.841 1.00 0.00 C ATOM 1228 CG2 VAL A 84 5.942 -16.465 1.806 1.00 0.00 C ATOM 0 H VAL A 84 5.321 -18.148 -0.063 1.00 0.00 H new ATOM 0 HA VAL A 84 5.596 -15.516 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 84 7.529 -17.423 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.458 -15.388 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.700 -15.324 0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.407 -14.363 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.458 -16.539 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.377 -15.534 1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.260 -17.308 1.696 1.00 0.00 H new ATOM 1238 N LYS A 85 8.098 -17.191 -2.069 1.00 0.00 N ATOM 1239 CA LYS A 85 9.161 -17.059 -3.069 1.00 0.00 C ATOM 1240 C LYS A 85 8.650 -16.345 -4.325 1.00 0.00 C ATOM 1241 O LYS A 85 9.375 -15.566 -4.946 1.00 0.00 O ATOM 1242 CB LYS A 85 9.743 -18.453 -3.422 1.00 0.00 C ATOM 1243 CG LYS A 85 11.271 -18.452 -3.293 1.00 0.00 C ATOM 1244 CD LYS A 85 11.816 -19.853 -3.596 1.00 0.00 C ATOM 1245 CE LYS A 85 11.517 -20.239 -5.055 1.00 0.00 C ATOM 1246 NZ LYS A 85 10.185 -20.902 -5.132 1.00 0.00 N ATOM 0 H LYS A 85 8.040 -18.107 -1.623 1.00 0.00 H new ATOM 0 HA LYS A 85 9.958 -16.449 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.318 -19.208 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.459 -18.724 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.703 -17.726 -3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.561 -18.148 -2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.891 -19.878 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.365 -20.580 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.530 -19.351 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.290 -20.909 -5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.291 -21.845 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.788 -20.996 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.545 -20.328 -5.717 1.00 0.00 H new ATOM 1260 N GLU A 86 7.397 -16.600 -4.683 1.00 0.00 N ATOM 1261 CA GLU A 86 6.807 -15.959 -5.858 1.00 0.00 C ATOM 1262 C GLU A 86 6.410 -14.537 -5.510 1.00 0.00 C ATOM 1263 O GLU A 86 6.378 -13.653 -6.366 1.00 0.00 O ATOM 1264 CB GLU A 86 5.570 -16.727 -6.329 1.00 0.00 C ATOM 1265 CG GLU A 86 5.960 -18.163 -6.667 1.00 0.00 C ATOM 1266 CD GLU A 86 4.726 -18.954 -7.086 1.00 0.00 C ATOM 1267 OE1 GLU A 86 4.223 -18.703 -8.169 1.00 0.00 O ATOM 1268 OE2 GLU A 86 4.301 -19.802 -6.318 1.00 0.00 O ATOM 0 H GLU A 86 6.775 -17.237 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 86 7.545 -15.956 -6.660 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.807 -16.720 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.138 -16.241 -7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.696 -18.169 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.428 -18.634 -5.803 1.00 0.00 H new ATOM 1275 N ALA A 87 6.119 -14.337 -4.236 1.00 0.00 N ATOM 1276 CA ALA A 87 5.729 -13.024 -3.734 1.00 0.00 C ATOM 1277 C ALA A 87 6.970 -12.181 -3.470 1.00 0.00 C ATOM 1278 O ALA A 87 7.061 -11.037 -3.915 1.00 0.00 O ATOM 1279 CB ALA A 87 4.912 -13.167 -2.445 1.00 0.00 C ATOM 0 H ALA A 87 6.145 -15.068 -3.525 1.00 0.00 H new ATOM 0 HA ALA A 87 5.113 -12.530 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.628 -12.179 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.014 -13.751 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.512 -13.673 -1.688 1.00 0.00 H new ATOM 1285 N GLN A 88 7.931 -12.761 -2.755 1.00 0.00 N ATOM 1286 CA GLN A 88 9.169 -12.057 -2.457 1.00 0.00 C ATOM 1287 C GLN A 88 9.744 -11.509 -3.760 1.00 0.00 C ATOM 1288 O GLN A 88 10.295 -10.406 -3.798 1.00 0.00 O ATOM 1289 CB GLN A 88 10.147 -13.005 -1.709 1.00 0.00 C ATOM 1290 CG GLN A 88 11.131 -13.701 -2.668 1.00 0.00 C ATOM 1291 CD GLN A 88 12.306 -12.783 -2.959 1.00 0.00 C ATOM 1292 OE1 GLN A 88 13.369 -13.231 -3.388 1.00 0.00 O ATOM 1293 NE2 GLN A 88 12.162 -11.513 -2.745 1.00 0.00 N ATOM 0 H GLN A 88 7.875 -13.706 -2.376 1.00 0.00 H new ATOM 0 HA GLN A 88 8.990 -11.211 -1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.707 -12.435 -0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.576 -13.759 -1.167 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.486 -14.632 -2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 88 10.624 -13.962 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.276 -11.153 -2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.934 -10.873 -2.932 1.00 0.00 H new ATOM 1302 N ALA A 89 9.570 -12.270 -4.833 1.00 0.00 N ATOM 1303 CA ALA A 89 10.034 -11.836 -6.136 1.00 0.00 C ATOM 1304 C ALA A 89 9.074 -10.785 -6.668 1.00 0.00 C ATOM 1305 O ALA A 89 9.486 -9.745 -7.195 1.00 0.00 O ATOM 1306 CB ALA A 89 10.096 -13.022 -7.101 1.00 0.00 C ATOM 0 H ALA A 89 9.114 -13.183 -4.824 1.00 0.00 H new ATOM 0 HA ALA A 89 11.036 -11.415 -6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.446 -12.681 -8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.783 -13.773 -6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.103 -13.459 -7.205 1.00 0.00 H new ATOM 1312 N ALA A 90 7.780 -11.045 -6.498 1.00 0.00 N ATOM 1313 CA ALA A 90 6.785 -10.088 -6.949 1.00 0.00 C ATOM 1314 C ALA A 90 6.936 -8.797 -6.157 1.00 0.00 C ATOM 1315 O ALA A 90 6.404 -7.757 -6.536 1.00 0.00 O ATOM 1316 CB ALA A 90 5.376 -10.646 -6.769 1.00 0.00 C ATOM 0 H ALA A 90 7.407 -11.889 -6.063 1.00 0.00 H new ATOM 0 HA ALA A 90 6.940 -9.891 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.647 -9.912 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.271 -11.562 -7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.202 -10.863 -5.715 1.00 0.00 H new ATOM 1322 N ALA A 91 7.676 -8.879 -5.057 1.00 0.00 N ATOM 1323 CA ALA A 91 7.904 -7.716 -4.209 1.00 0.00 C ATOM 1324 C ALA A 91 9.004 -6.831 -4.790 1.00 0.00 C ATOM 1325 O ALA A 91 8.911 -5.602 -4.758 1.00 0.00 O ATOM 1326 CB ALA A 91 8.299 -8.164 -2.802 1.00 0.00 C ATOM 0 H ALA A 91 8.126 -9.735 -4.733 1.00 0.00 H new ATOM 0 HA ALA A 91 6.979 -7.141 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.467 -7.288 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.499 -8.768 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.213 -8.756 -2.852 1.00 0.00 H new ATOM 1332 N GLU A 92 10.054 -7.458 -5.313 1.00 0.00 N ATOM 1333 CA GLU A 92 11.161 -6.699 -5.883 1.00 0.00 C ATOM 1334 C GLU A 92 10.676 -5.818 -7.039 1.00 0.00 C ATOM 1335 O GLU A 92 11.115 -4.671 -7.181 1.00 0.00 O ATOM 1336 CB GLU A 92 12.290 -7.657 -6.336 1.00 0.00 C ATOM 1337 CG GLU A 92 12.135 -8.051 -7.812 1.00 0.00 C ATOM 1338 CD GLU A 92 13.032 -9.245 -8.128 1.00 0.00 C ATOM 1339 OE1 GLU A 92 12.580 -10.363 -7.948 1.00 0.00 O ATOM 1340 OE2 GLU A 92 14.156 -9.021 -8.546 1.00 0.00 O ATOM 0 H GLU A 92 10.161 -8.472 -5.354 1.00 0.00 H new ATOM 0 HA GLU A 92 11.566 -6.039 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.257 -7.178 -6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 92 12.279 -8.553 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.095 -8.300 -8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.397 -7.208 -8.452 1.00 0.00 H new ATOM 1347 N GLN A 93 9.774 -6.348 -7.866 1.00 0.00 N ATOM 1348 CA GLN A 93 9.273 -5.565 -8.994 1.00 0.00 C ATOM 1349 C GLN A 93 8.540 -4.321 -8.499 1.00 0.00 C ATOM 1350 O GLN A 93 8.311 -3.382 -9.264 1.00 0.00 O ATOM 1351 CB GLN A 93 8.341 -6.399 -9.878 1.00 0.00 C ATOM 1352 CG GLN A 93 7.340 -7.137 -9.002 1.00 0.00 C ATOM 1353 CD GLN A 93 6.376 -7.937 -9.869 1.00 0.00 C ATOM 1354 OE1 GLN A 93 6.788 -8.555 -10.851 1.00 0.00 O ATOM 1355 NE2 GLN A 93 5.108 -7.963 -9.563 1.00 0.00 N ATOM 0 H GLN A 93 9.385 -7.287 -7.781 1.00 0.00 H new ATOM 0 HA GLN A 93 10.132 -5.260 -9.591 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.817 -5.754 -10.583 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.920 -7.111 -10.466 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.865 -7.804 -8.318 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.786 -6.425 -8.390 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.769 -7.450 -8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.455 -8.496 -10.138 1.00 0.00 H new ATOM 1364 N LEU A 94 8.199 -4.299 -7.210 1.00 0.00 N ATOM 1365 CA LEU A 94 7.523 -3.137 -6.643 1.00 0.00 C ATOM 1366 C LEU A 94 8.560 -2.076 -6.339 1.00 0.00 C ATOM 1367 O LEU A 94 8.366 -0.895 -6.620 1.00 0.00 O ATOM 1368 CB LEU A 94 6.783 -3.488 -5.345 1.00 0.00 C ATOM 1369 CG LEU A 94 5.834 -4.673 -5.565 1.00 0.00 C ATOM 1370 CD1 LEU A 94 4.992 -4.900 -4.297 1.00 0.00 C ATOM 1371 CD2 LEU A 94 4.909 -4.387 -6.758 1.00 0.00 C ATOM 0 H LEU A 94 8.376 -5.058 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 94 6.790 -2.780 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.504 -3.733 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.218 -2.623 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 94 6.419 -5.568 -5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.318 -5.742 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.651 -5.115 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.410 -4.004 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.238 -5.232 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.323 -3.490 -6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.509 -4.236 -7.655 1.00 0.00 H new ATOM 1383 N LYS A 95 9.674 -2.519 -5.771 1.00 0.00 N ATOM 1384 CA LYS A 95 10.757 -1.610 -5.438 1.00 0.00 C ATOM 1385 C LYS A 95 11.093 -0.754 -6.651 1.00 0.00 C ATOM 1386 O LYS A 95 11.365 0.438 -6.532 1.00 0.00 O ATOM 1387 CB LYS A 95 11.999 -2.398 -5.004 1.00 0.00 C ATOM 1388 CG LYS A 95 11.746 -3.075 -3.644 1.00 0.00 C ATOM 1389 CD LYS A 95 11.788 -2.033 -2.488 1.00 0.00 C ATOM 1390 CE LYS A 95 12.923 -2.361 -1.509 1.00 0.00 C ATOM 1391 NZ LYS A 95 13.063 -1.252 -0.522 1.00 0.00 N ATOM 0 H LYS A 95 9.849 -3.495 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 95 10.441 -0.970 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 95 12.243 -3.150 -5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 95 12.857 -1.730 -4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.776 -3.572 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.497 -3.846 -3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 95 11.931 -1.033 -2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.834 -2.028 -1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 95 12.713 -3.298 -0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 95 13.858 -2.499 -2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 13.832 -1.473 0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 13.282 -0.367 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 12.173 -1.141 0.004 1.00 0.00 H new ATOM 1405 N THR A 96 11.059 -1.372 -7.821 1.00 0.00 N ATOM 1406 CA THR A 96 11.354 -0.653 -9.055 1.00 0.00 C ATOM 1407 C THR A 96 10.208 0.288 -9.420 1.00 0.00 C ATOM 1408 O THR A 96 10.432 1.397 -9.903 1.00 0.00 O ATOM 1409 CB THR A 96 11.564 -1.648 -10.194 1.00 0.00 C ATOM 1410 OG1 THR A 96 12.361 -2.731 -9.736 1.00 0.00 O ATOM 1411 CG2 THR A 96 12.261 -0.955 -11.367 1.00 0.00 C ATOM 0 H THR A 96 10.833 -2.359 -7.945 1.00 0.00 H new ATOM 0 HA THR A 96 12.259 -0.066 -8.901 1.00 0.00 H new ATOM 0 HB THR A 96 10.597 -2.025 -10.526 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.495 -3.371 -10.466 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.408 -1.670 -12.177 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.644 -0.129 -11.720 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.228 -0.572 -11.041 1.00 0.00 H new ATOM 1419 N THR A 97 8.978 -0.165 -9.201 1.00 0.00 N ATOM 1420 CA THR A 97 7.814 0.650 -9.529 1.00 0.00 C ATOM 1421 C THR A 97 7.860 1.981 -8.785 1.00 0.00 C ATOM 1422 O THR A 97 7.780 3.054 -9.397 1.00 0.00 O ATOM 1423 CB THR A 97 6.525 -0.093 -9.168 1.00 0.00 C ATOM 1424 OG1 THR A 97 6.573 -1.407 -9.705 1.00 0.00 O ATOM 1425 CG2 THR A 97 5.322 0.656 -9.748 1.00 0.00 C ATOM 0 H THR A 97 8.763 -1.079 -8.803 1.00 0.00 H new ATOM 0 HA THR A 97 7.829 0.844 -10.601 1.00 0.00 H new ATOM 0 HB THR A 97 6.427 -0.147 -8.084 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.255 -1.929 -9.233 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.405 0.126 -9.490 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.287 1.664 -9.335 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.416 0.712 -10.832 1.00 0.00 H new ATOM 1433 N ILE A 98 7.997 1.921 -7.464 1.00 0.00 N ATOM 1434 CA ILE A 98 8.051 3.148 -6.690 1.00 0.00 C ATOM 1435 C ILE A 98 9.268 3.950 -7.108 1.00 0.00 C ATOM 1436 O ILE A 98 9.287 5.172 -6.977 1.00 0.00 O ATOM 1437 CB ILE A 98 8.090 2.860 -5.172 1.00 0.00 C ATOM 1438 CG1 ILE A 98 9.523 2.524 -4.709 1.00 0.00 C ATOM 1439 CG2 ILE A 98 7.165 1.680 -4.853 1.00 0.00 C ATOM 1440 CD1 ILE A 98 9.500 2.113 -3.236 1.00 0.00 C ATOM 0 H ILE A 98 8.071 1.060 -6.923 1.00 0.00 H new ATOM 0 HA ILE A 98 7.146 3.723 -6.888 1.00 0.00 H new ATOM 0 HB ILE A 98 7.756 3.753 -4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.933 1.717 -5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.173 3.388 -4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.192 1.476 -3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.146 1.926 -5.150 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.499 0.798 -5.399 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.512 1.876 -2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.107 2.934 -2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.864 1.237 -3.113 1.00 0.00 H new ATOM 1452 N ARG A 99 10.296 3.258 -7.595 1.00 0.00 N ATOM 1453 CA ARG A 99 11.500 3.956 -7.997 1.00 0.00 C ATOM 1454 C ARG A 99 11.210 4.823 -9.199 1.00 0.00 C ATOM 1455 O ARG A 99 11.844 5.853 -9.392 1.00 0.00 O ATOM 1456 CB ARG A 99 12.645 2.979 -8.286 1.00 0.00 C ATOM 1457 CG ARG A 99 13.941 3.758 -8.568 1.00 0.00 C ATOM 1458 CD ARG A 99 14.322 4.654 -7.369 1.00 0.00 C ATOM 1459 NE ARG A 99 15.771 4.679 -7.205 1.00 0.00 N ATOM 1460 CZ ARG A 99 16.359 5.563 -6.404 1.00 0.00 C ATOM 1461 NH1 ARG A 99 15.639 6.432 -5.749 1.00 0.00 N ATOM 1462 NH2 ARG A 99 17.657 5.561 -6.272 1.00 0.00 N ATOM 0 H ARG A 99 10.316 2.245 -7.716 1.00 0.00 H new ATOM 0 HA ARG A 99 11.822 4.592 -7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.789 2.313 -7.436 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.393 2.353 -9.142 1.00 0.00 H new ATOM 0 HG2 ARG A 99 14.751 3.059 -8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.813 4.372 -9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.948 5.666 -7.527 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.851 4.279 -6.460 1.00 0.00 H new ATOM 0 HE ARG A 99 16.344 4.006 -7.714 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.624 6.434 -5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.091 7.109 -5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 99 18.221 4.882 -6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 99 18.108 6.239 -5.658 1.00 0.00 H new ATOM 1476 N ALA A 100 10.216 4.438 -9.979 1.00 0.00 N ATOM 1477 CA ALA A 100 9.838 5.249 -11.115 1.00 0.00 C ATOM 1478 C ALA A 100 9.228 6.526 -10.572 1.00 0.00 C ATOM 1479 O ALA A 100 9.459 7.613 -11.095 1.00 0.00 O ATOM 1480 CB ALA A 100 8.828 4.511 -11.998 1.00 0.00 C ATOM 0 H ALA A 100 9.668 3.587 -9.849 1.00 0.00 H new ATOM 0 HA ALA A 100 10.709 5.467 -11.732 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.558 5.140 -12.846 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.271 3.584 -12.361 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.935 4.283 -11.417 1.00 0.00 H new ATOM 1486 N TYR A 101 8.478 6.383 -9.479 1.00 0.00 N ATOM 1487 CA TYR A 101 7.863 7.537 -8.834 1.00 0.00 C ATOM 1488 C TYR A 101 8.928 8.286 -8.015 1.00 0.00 C ATOM 1489 O TYR A 101 9.119 9.497 -8.166 1.00 0.00 O ATOM 1490 CB TYR A 101 6.674 7.058 -7.947 1.00 0.00 C ATOM 1491 CG TYR A 101 6.693 7.726 -6.583 1.00 0.00 C ATOM 1492 CD1 TYR A 101 6.612 9.120 -6.490 1.00 0.00 C ATOM 1493 CD2 TYR A 101 6.804 6.954 -5.418 1.00 0.00 C ATOM 1494 CE1 TYR A 101 6.641 9.742 -5.236 1.00 0.00 C ATOM 1495 CE2 TYR A 101 6.831 7.575 -4.165 1.00 0.00 C ATOM 1496 CZ TYR A 101 6.750 8.969 -4.074 1.00 0.00 C ATOM 1497 OH TYR A 101 6.779 9.583 -2.837 1.00 0.00 O ATOM 0 H TYR A 101 8.285 5.489 -9.028 1.00 0.00 H new ATOM 0 HA TYR A 101 7.466 8.228 -9.578 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.732 7.280 -8.449 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.723 5.976 -7.824 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.527 9.717 -7.386 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.869 5.878 -5.488 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.579 10.818 -5.165 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.914 6.979 -3.268 1.00 0.00 H new ATOM 0 HH TYR A 101 6.857 8.903 -2.136 1.00 0.00 H new ATOM 1507 N ASN A 102 9.619 7.548 -7.155 1.00 0.00 N ATOM 1508 CA ASN A 102 10.658 8.137 -6.322 1.00 0.00 C ATOM 1509 C ASN A 102 11.707 8.829 -7.191 1.00 0.00 C ATOM 1510 O ASN A 102 12.205 9.901 -6.845 1.00 0.00 O ATOM 1511 CB ASN A 102 11.322 7.046 -5.461 1.00 0.00 C ATOM 1512 CG ASN A 102 11.925 7.656 -4.203 1.00 0.00 C ATOM 1513 OD1 ASN A 102 11.703 7.159 -3.099 1.00 0.00 O ATOM 1514 ND2 ASN A 102 12.678 8.709 -4.307 1.00 0.00 N ATOM 0 H ASN A 102 9.480 6.547 -7.017 1.00 0.00 H new ATOM 0 HA ASN A 102 10.203 8.880 -5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.585 6.290 -5.189 1.00 0.00 H new ATOM 0 HB3 ASN A 102 12.098 6.542 -6.037 1.00 0.00 H new ATOM 0 HD21 ASN A 102 13.088 9.127 -3.472 1.00 0.00 H new ATOM 0 HD22 ASN A 102 12.859 9.118 -5.224 1.00 0.00 H new ATOM 1521 N GLN A 103 12.037 8.210 -8.322 1.00 0.00 N ATOM 1522 CA GLN A 103 13.030 8.779 -9.228 1.00 0.00 C ATOM 1523 C GLN A 103 12.400 9.846 -10.102 1.00 0.00 C ATOM 1524 O GLN A 103 13.045 10.840 -10.436 1.00 0.00 O ATOM 1525 CB GLN A 103 13.618 7.697 -10.131 1.00 0.00 C ATOM 1526 CG GLN A 103 14.809 8.260 -10.914 1.00 0.00 C ATOM 1527 CD GLN A 103 15.631 7.118 -11.504 1.00 0.00 C ATOM 1528 OE1 GLN A 103 16.838 7.039 -11.278 1.00 0.00 O ATOM 1529 NE2 GLN A 103 15.046 6.225 -12.253 1.00 0.00 N ATOM 0 H GLN A 103 11.636 7.324 -8.630 1.00 0.00 H new ATOM 0 HA GLN A 103 13.821 9.218 -8.619 1.00 0.00 H new ATOM 0 HB2 GLN A 103 13.937 6.844 -9.531 1.00 0.00 H new ATOM 0 HB3 GLN A 103 12.857 7.334 -10.822 1.00 0.00 H new ATOM 0 HG2 GLN A 103 14.455 8.914 -11.711 1.00 0.00 H new ATOM 0 HG3 GLN A 103 15.433 8.867 -10.257 1.00 0.00 H new ATOM 0 HE21 GLN A 103 14.045 6.292 -12.439 1.00 0.00 H new ATOM 0 HE22 GLN A 103 15.589 5.460 -12.652 1.00 0.00 H new ATOM 1538 N LYS A 104 11.134 9.638 -10.478 1.00 0.00 N ATOM 1539 CA LYS A 104 10.441 10.615 -11.327 1.00 0.00 C ATOM 1540 C LYS A 104 10.766 12.017 -10.838 1.00 0.00 C ATOM 1541 O LYS A 104 11.065 12.912 -11.628 1.00 0.00 O ATOM 1542 CB LYS A 104 8.911 10.395 -11.309 1.00 0.00 C ATOM 1543 CG LYS A 104 8.160 11.687 -11.725 1.00 0.00 C ATOM 1544 CD LYS A 104 6.798 11.329 -12.330 1.00 0.00 C ATOM 1545 CE LYS A 104 6.039 12.611 -12.673 1.00 0.00 C ATOM 1546 NZ LYS A 104 4.825 12.272 -13.467 1.00 0.00 N ATOM 0 H LYS A 104 10.579 8.823 -10.216 1.00 0.00 H new ATOM 0 HA LYS A 104 10.783 10.486 -12.354 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.649 9.583 -11.987 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.595 10.092 -10.311 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.024 12.333 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.753 12.246 -12.449 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.934 10.724 -13.226 1.00 0.00 H new ATOM 0 HD3 LYS A 104 6.221 10.730 -11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.755 13.134 -11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.681 13.286 -13.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.308 13.144 -13.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.107 11.791 -14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.210 11.644 -12.911 1.00 0.00 H new ATOM 1560 N TYR A 105 10.699 12.194 -9.523 1.00 0.00 N ATOM 1561 CA TYR A 105 10.986 13.499 -8.923 1.00 0.00 C ATOM 1562 C TYR A 105 12.403 13.516 -8.350 1.00 0.00 C ATOM 1563 O TYR A 105 13.040 14.567 -8.279 1.00 0.00 O ATOM 1564 CB TYR A 105 9.940 13.813 -7.818 1.00 0.00 C ATOM 1565 CG TYR A 105 9.130 15.034 -8.206 1.00 0.00 C ATOM 1566 CD1 TYR A 105 9.635 16.316 -7.964 1.00 0.00 C ATOM 1567 CD2 TYR A 105 7.890 14.878 -8.835 1.00 0.00 C ATOM 1568 CE1 TYR A 105 8.898 17.442 -8.347 1.00 0.00 C ATOM 1569 CE2 TYR A 105 7.156 15.998 -9.221 1.00 0.00 C ATOM 1570 CZ TYR A 105 7.657 17.283 -8.976 1.00 0.00 C ATOM 1571 OH TYR A 105 6.933 18.392 -9.360 1.00 0.00 O ATOM 0 H TYR A 105 10.452 11.463 -8.856 1.00 0.00 H new ATOM 0 HA TYR A 105 10.920 14.269 -9.692 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.279 12.958 -7.677 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.444 13.987 -6.867 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.594 16.437 -7.482 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.501 13.888 -9.022 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.286 18.432 -8.158 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.201 15.875 -9.709 1.00 0.00 H new ATOM 0 HH TYR A 105 6.792 18.371 -10.330 1.00 0.00 H new ATOM 1581 N GLY A 106 12.889 12.346 -7.942 1.00 0.00 N ATOM 1582 CA GLY A 106 14.232 12.238 -7.376 1.00 0.00 C ATOM 1583 C GLY A 106 14.547 13.425 -6.469 1.00 0.00 C ATOM 1584 O GLY A 106 15.713 13.768 -6.358 1.00 0.00 O ATOM 1585 OXT GLY A 106 13.618 13.974 -5.898 1.00 0.00 O ATOM 0 H GLY A 106 12.377 11.465 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.317 11.311 -6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.965 12.187 -8.181 1.00 0.00 H new TER 1589 GLY A 106