USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 719 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 38 HIS : no HD1:sc= -1.5 K(o=-2.1,f=-12!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= -0.599 USER MOD Set 2.1: A 72 ASN : amide:sc= 1.04 K(o=2.7,f=-6.6) USER MOD Set 2.2: A 91 LYS NZ :NH3+ 180:sc= 1.66 (180deg=0.469) USER MOD Set 3.1: A 35 GLN : amide:sc= 0.00118 K(o=0.16,f=-2.1) USER MOD Set 3.2: A 37 LYS NZ :NH3+ 161:sc= 0.159 (180deg=0) USER MOD Set 4.1: A 19 GLN : amide:sc= -0.664! C(o=0.36!,f=-5.3!) USER MOD Set 4.2: A 62 LYS NZ :NH3+ 146:sc= 1.03 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.08) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 110:sc= 0.069 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= 1.15 (180deg=0.898) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.981 K(o=-0.98,f=-1.6) USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0653) USER MOD Single : A 50 MET CE :methyl 174:sc= -0.946 (180deg=-1.3) USER MOD Single : A 52 THR OG1 : rot 41:sc= 0.456 USER MOD Single : A 65 THR OG1 : rot 63:sc= 1.14 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -1.19 F(o=-1.8!,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.81) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -4.26! C(o=-4.3!,f=-9.4!) USER MOD Single : A 86 MET CE :methyl 177:sc= -0.38 (180deg=-0.408) USER MOD ----------------------------------------------------------------- ATOM 58 N ASP A 7 -11.522 -46.622 21.518 1.00 0.00 N ATOM 59 CA ASP A 7 -12.154 -45.720 22.469 1.00 0.00 C ATOM 60 C ASP A 7 -11.489 -45.856 23.832 1.00 0.00 C ATOM 61 O ASP A 7 -11.494 -46.925 24.434 1.00 0.00 O ATOM 62 CB ASP A 7 -13.648 -46.034 22.583 1.00 0.00 C ATOM 63 CG ASP A 7 -14.416 -44.945 23.302 1.00 0.00 C ATOM 64 OD1 ASP A 7 -14.500 -44.982 24.546 1.00 0.00 O ATOM 65 OD2 ASP A 7 -14.954 -44.051 22.621 1.00 0.00 O ATOM 0 HA ASP A 7 -12.037 -44.696 22.115 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -14.065 -46.170 21.585 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.778 -46.977 23.114 1.00 0.00 H new ATOM 70 N ILE A 8 -10.914 -44.776 24.304 1.00 0.00 N ATOM 71 CA ILE A 8 -10.188 -44.784 25.549 1.00 0.00 C ATOM 72 C ILE A 8 -10.984 -44.135 26.654 1.00 0.00 C ATOM 73 O ILE A 8 -11.572 -43.064 26.479 1.00 0.00 O ATOM 74 CB ILE A 8 -8.811 -44.117 25.387 1.00 0.00 C ATOM 75 CG1 ILE A 8 -7.962 -44.971 24.444 1.00 0.00 C ATOM 76 CG2 ILE A 8 -8.120 -43.917 26.735 1.00 0.00 C ATOM 77 CD1 ILE A 8 -6.636 -44.370 24.085 1.00 0.00 C ATOM 0 H ILE A 8 -10.937 -43.870 23.837 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.025 -45.824 25.832 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.941 -43.123 24.959 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.793 -45.943 24.908 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.526 -45.149 23.528 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.150 -43.444 26.580 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.737 -43.281 27.369 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.979 -44.884 27.218 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.102 -45.042 23.414 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.793 -43.412 23.590 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.048 -44.218 24.990 1.00 0.00 H new ATOM 89 N LYS A 9 -11.016 -44.802 27.789 1.00 0.00 N ATOM 90 CA LYS A 9 -11.808 -44.366 28.909 1.00 0.00 C ATOM 91 C LYS A 9 -10.968 -43.565 29.884 1.00 0.00 C ATOM 92 O LYS A 9 -9.771 -43.790 30.012 1.00 0.00 O ATOM 93 CB LYS A 9 -12.398 -45.580 29.618 1.00 0.00 C ATOM 94 CG LYS A 9 -13.178 -46.510 28.698 1.00 0.00 C ATOM 95 CD LYS A 9 -14.315 -45.785 28.003 1.00 0.00 C ATOM 96 CE LYS A 9 -15.083 -46.709 27.080 1.00 0.00 C ATOM 97 NZ LYS A 9 -16.171 -45.993 26.366 1.00 0.00 N ATOM 0 H LYS A 9 -10.492 -45.661 27.956 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.611 -43.728 28.540 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.591 -46.142 30.088 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.056 -45.238 30.417 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.505 -46.932 27.952 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.577 -47.344 29.276 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.992 -45.369 28.749 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.917 -44.947 27.431 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.399 -47.149 26.354 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.506 -47.531 27.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.888 -46.677 26.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.610 -45.302 27.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.777 -45.498 25.540 1.00 0.00 H new ATOM 111 N GLU A 10 -11.590 -42.631 30.565 1.00 0.00 N ATOM 112 CA GLU A 10 -10.895 -41.837 31.539 1.00 0.00 C ATOM 113 C GLU A 10 -11.506 -42.002 32.924 1.00 0.00 C ATOM 114 O GLU A 10 -12.730 -42.064 33.080 1.00 0.00 O ATOM 115 CB GLU A 10 -10.850 -40.359 31.128 1.00 0.00 C ATOM 116 CG GLU A 10 -12.202 -39.698 31.051 1.00 0.00 C ATOM 117 CD GLU A 10 -12.118 -38.247 30.632 1.00 0.00 C ATOM 118 OE1 GLU A 10 -12.013 -37.980 29.420 1.00 0.00 O ATOM 119 OE2 GLU A 10 -12.168 -37.360 31.514 1.00 0.00 O ATOM 0 H GLU A 10 -12.579 -42.405 30.459 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.868 -42.199 31.583 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.232 -39.814 31.841 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.363 -40.278 30.156 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.828 -40.241 30.343 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.690 -39.764 32.023 1.00 0.00 H new ATOM 126 N ILE A 11 -10.644 -42.120 33.906 1.00 0.00 N ATOM 127 CA ILE A 11 -11.030 -42.228 35.292 1.00 0.00 C ATOM 128 C ILE A 11 -10.630 -40.946 36.005 1.00 0.00 C ATOM 129 O ILE A 11 -9.444 -40.617 36.097 1.00 0.00 O ATOM 130 CB ILE A 11 -10.373 -43.476 35.974 1.00 0.00 C ATOM 131 CG1 ILE A 11 -10.940 -44.774 35.380 1.00 0.00 C ATOM 132 CG2 ILE A 11 -10.557 -43.448 37.495 1.00 0.00 C ATOM 133 CD1 ILE A 11 -12.414 -44.983 35.646 1.00 0.00 C ATOM 0 H ILE A 11 -9.635 -42.144 33.760 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.109 -42.366 35.356 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.302 -43.440 35.773 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.773 -44.771 34.303 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.385 -45.620 35.786 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.089 -44.329 37.934 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.093 -42.549 37.901 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.621 -43.446 37.733 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.736 -45.921 35.194 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.588 -45.020 36.721 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.982 -44.159 35.215 1.00 0.00 H new ATOM 145 N LYS A 12 -11.619 -40.204 36.472 1.00 0.00 N ATOM 146 CA LYS A 12 -11.360 -38.923 37.103 1.00 0.00 C ATOM 147 C LYS A 12 -11.155 -39.076 38.597 1.00 0.00 C ATOM 148 O LYS A 12 -11.825 -39.872 39.257 1.00 0.00 O ATOM 149 CB LYS A 12 -12.471 -37.926 36.819 1.00 0.00 C ATOM 150 CG LYS A 12 -12.139 -36.501 37.272 1.00 0.00 C ATOM 151 CD LYS A 12 -13.292 -35.544 36.986 1.00 0.00 C ATOM 152 CE LYS A 12 -13.602 -35.460 35.501 1.00 0.00 C ATOM 153 NZ LYS A 12 -14.762 -34.582 35.231 1.00 0.00 N ATOM 0 H LYS A 12 -12.604 -40.465 36.426 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.439 -38.533 36.670 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.679 -37.920 35.749 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.382 -38.256 37.319 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.918 -36.499 38.339 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.241 -36.155 36.760 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.180 -35.874 37.524 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.042 -34.552 37.362 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.729 -35.083 34.968 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.804 -36.459 35.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.942 -34.550 34.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.601 -34.955 35.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.559 -33.622 35.577 1.00 0.00 H new ATOM 167 N LEU A 13 -10.233 -38.307 39.108 1.00 0.00 N ATOM 168 CA LEU A 13 -9.842 -38.369 40.487 1.00 0.00 C ATOM 169 C LEU A 13 -9.763 -36.977 41.082 1.00 0.00 C ATOM 170 O LEU A 13 -9.761 -35.974 40.357 1.00 0.00 O ATOM 171 CB LEU A 13 -8.475 -39.004 40.556 1.00 0.00 C ATOM 172 CG LEU A 13 -8.375 -40.414 40.008 1.00 0.00 C ATOM 173 CD1 LEU A 13 -6.924 -40.786 39.825 1.00 0.00 C ATOM 174 CD2 LEU A 13 -9.073 -41.397 40.936 1.00 0.00 C ATOM 0 H LEU A 13 -9.724 -37.608 38.567 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.576 -38.948 41.047 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.773 -38.372 40.011 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.152 -39.015 41.597 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.873 -40.457 39.039 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.855 -41.800 39.431 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.456 -40.093 39.126 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.411 -40.734 40.785 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.991 -42.404 40.527 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.603 -41.365 41.919 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.125 -41.127 41.027 1.00 0.00 H new ATOM 186 N SER A 14 -9.697 -36.920 42.388 1.00 0.00 N ATOM 187 CA SER A 14 -9.533 -35.687 43.094 1.00 0.00 C ATOM 188 C SER A 14 -8.591 -35.910 44.261 1.00 0.00 C ATOM 189 O SER A 14 -8.487 -37.020 44.760 1.00 0.00 O ATOM 190 CB SER A 14 -10.895 -35.174 43.587 1.00 0.00 C ATOM 191 OG SER A 14 -11.618 -36.202 44.252 1.00 0.00 O ATOM 0 H SER A 14 -9.757 -37.740 42.992 1.00 0.00 H new ATOM 0 HA SER A 14 -9.110 -34.934 42.429 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.747 -34.333 44.264 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.476 -34.805 42.742 1.00 0.00 H new ATOM 0 HG SER A 14 -11.655 -36.007 45.212 1.00 0.00 H new ATOM 197 N VAL A 15 -7.888 -34.877 44.675 1.00 0.00 N ATOM 198 CA VAL A 15 -7.011 -34.979 45.828 1.00 0.00 C ATOM 199 C VAL A 15 -7.840 -35.297 47.076 1.00 0.00 C ATOM 200 O VAL A 15 -7.399 -36.021 47.971 1.00 0.00 O ATOM 201 CB VAL A 15 -6.171 -33.687 46.017 1.00 0.00 C ATOM 202 CG1 VAL A 15 -5.430 -33.688 47.348 1.00 0.00 C ATOM 203 CG2 VAL A 15 -5.183 -33.553 44.877 1.00 0.00 C ATOM 0 H VAL A 15 -7.905 -33.958 44.233 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.304 -35.792 45.661 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.854 -32.837 46.018 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.853 -32.768 47.444 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.149 -33.753 48.165 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.757 -34.544 47.389 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.594 -32.646 45.011 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.520 -34.418 44.867 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.723 -33.499 43.932 1.00 0.00 H new ATOM 213 N LYS A 16 -9.051 -34.768 47.110 1.00 0.00 N ATOM 214 CA LYS A 16 -9.974 -35.046 48.187 1.00 0.00 C ATOM 215 C LYS A 16 -10.874 -36.218 47.800 1.00 0.00 C ATOM 216 O LYS A 16 -12.035 -36.035 47.437 1.00 0.00 O ATOM 217 CB LYS A 16 -10.827 -33.814 48.507 1.00 0.00 C ATOM 218 CG LYS A 16 -10.041 -32.640 49.083 1.00 0.00 C ATOM 219 CD LYS A 16 -10.937 -31.424 49.303 1.00 0.00 C ATOM 220 CE LYS A 16 -11.981 -31.694 50.374 1.00 0.00 C ATOM 221 NZ LYS A 16 -12.896 -30.544 50.568 1.00 0.00 N ATOM 0 H LYS A 16 -9.416 -34.139 46.395 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.402 -35.305 49.078 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.330 -33.488 47.597 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.604 -34.099 49.216 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.586 -32.934 50.029 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.228 -32.377 48.406 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.328 -30.568 49.594 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.432 -31.160 48.368 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.561 -32.575 50.099 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.482 -31.922 51.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.590 -30.774 51.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.347 -29.709 50.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.393 -30.342 49.677 1.00 0.00 H new ATOM 235 N ILE A 17 -10.303 -37.404 47.807 1.00 0.00 N ATOM 236 CA ILE A 17 -11.031 -38.622 47.480 1.00 0.00 C ATOM 237 C ILE A 17 -10.876 -39.657 48.599 1.00 0.00 C ATOM 238 O ILE A 17 -9.839 -39.720 49.256 1.00 0.00 O ATOM 239 CB ILE A 17 -10.530 -39.229 46.139 1.00 0.00 C ATOM 240 CG1 ILE A 17 -11.382 -40.432 45.724 1.00 0.00 C ATOM 241 CG2 ILE A 17 -9.059 -39.626 46.240 1.00 0.00 C ATOM 242 CD1 ILE A 17 -11.039 -40.974 44.349 1.00 0.00 C ATOM 0 H ILE A 17 -9.321 -37.556 48.039 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.084 -38.360 47.375 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.629 -38.463 45.370 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.257 -41.226 46.460 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.433 -40.145 45.740 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.730 -40.048 45.290 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.460 -38.746 46.473 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.936 -40.368 47.029 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.682 -41.824 44.122 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.191 -40.195 43.602 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.997 -41.293 44.333 1.00 0.00 H new ATOM 254 N ALA A 18 -11.920 -40.437 48.831 1.00 0.00 N ATOM 255 CA ALA A 18 -11.876 -41.482 49.842 1.00 0.00 C ATOM 256 C ALA A 18 -10.946 -42.610 49.398 1.00 0.00 C ATOM 257 O ALA A 18 -10.905 -42.961 48.216 1.00 0.00 O ATOM 258 CB ALA A 18 -13.278 -42.022 50.103 1.00 0.00 C ATOM 0 H ALA A 18 -12.808 -40.367 48.333 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.488 -41.057 50.768 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.232 -42.803 50.861 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.920 -41.214 50.454 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.686 -42.435 49.181 1.00 0.00 H new ATOM 264 N GLN A 19 -10.211 -43.179 50.349 1.00 0.00 N ATOM 265 CA GLN A 19 -9.264 -44.256 50.052 1.00 0.00 C ATOM 266 C GLN A 19 -9.997 -45.477 49.511 1.00 0.00 C ATOM 267 O GLN A 19 -9.528 -46.150 48.591 1.00 0.00 O ATOM 268 CB GLN A 19 -8.463 -44.626 51.309 1.00 0.00 C ATOM 269 CG GLN A 19 -7.457 -45.748 51.095 1.00 0.00 C ATOM 270 CD GLN A 19 -6.364 -45.386 50.105 1.00 0.00 C ATOM 271 OE1 GLN A 19 -5.942 -44.229 50.014 1.00 0.00 O ATOM 272 NE2 GLN A 19 -5.912 -46.365 49.346 1.00 0.00 N ATOM 0 H GLN A 19 -10.251 -42.914 51.333 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.570 -43.904 49.289 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.935 -43.741 51.664 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.157 -44.920 52.096 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.002 -46.007 52.051 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.981 -46.635 50.740 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.287 -47.308 49.452 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.187 -46.180 48.653 1.00 0.00 H new ATOM 281 N ASN A 20 -11.161 -45.738 50.074 1.00 0.00 N ATOM 282 CA ASN A 20 -11.996 -46.851 49.645 1.00 0.00 C ATOM 283 C ASN A 20 -12.431 -46.678 48.204 1.00 0.00 C ATOM 284 O ASN A 20 -12.510 -47.647 47.442 1.00 0.00 O ATOM 285 CB ASN A 20 -13.216 -46.993 50.546 1.00 0.00 C ATOM 286 CG ASN A 20 -12.865 -47.499 51.927 1.00 0.00 C ATOM 287 OD1 ASN A 20 -12.562 -46.719 52.829 1.00 0.00 O ATOM 288 ND2 ASN A 20 -12.908 -48.806 52.098 1.00 0.00 N ATOM 0 H ASN A 20 -11.556 -45.190 50.838 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.400 -47.761 49.720 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.713 -46.027 50.633 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -13.927 -47.677 50.083 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.684 -49.209 53.008 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.165 -49.414 51.320 1.00 0.00 H new ATOM 295 N ASP A 21 -12.727 -45.444 47.829 1.00 0.00 N ATOM 296 CA ASP A 21 -13.147 -45.140 46.469 1.00 0.00 C ATOM 297 C ASP A 21 -12.020 -45.418 45.486 1.00 0.00 C ATOM 298 O ASP A 21 -12.257 -45.896 44.384 1.00 0.00 O ATOM 299 CB ASP A 21 -13.600 -43.697 46.342 1.00 0.00 C ATOM 300 CG ASP A 21 -14.286 -43.444 45.029 1.00 0.00 C ATOM 301 OD1 ASP A 21 -15.476 -43.793 44.904 1.00 0.00 O ATOM 302 OD2 ASP A 21 -13.646 -42.915 44.110 1.00 0.00 O ATOM 0 H ASP A 21 -12.684 -44.635 48.448 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.992 -45.786 46.233 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.279 -43.455 47.160 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.739 -43.035 46.436 1.00 0.00 H new ATOM 307 N ILE A 22 -10.791 -45.145 45.916 1.00 0.00 N ATOM 308 CA ILE A 22 -9.605 -45.392 45.100 1.00 0.00 C ATOM 309 C ILE A 22 -9.500 -46.881 44.801 1.00 0.00 C ATOM 310 O ILE A 22 -9.216 -47.291 43.665 1.00 0.00 O ATOM 311 CB ILE A 22 -8.322 -44.931 45.836 1.00 0.00 C ATOM 312 CG1 ILE A 22 -8.319 -43.408 46.001 1.00 0.00 C ATOM 313 CG2 ILE A 22 -7.073 -45.389 45.090 1.00 0.00 C ATOM 314 CD1 ILE A 22 -7.181 -42.896 46.862 1.00 0.00 C ATOM 0 H ILE A 22 -10.589 -44.749 46.834 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.699 -44.826 44.173 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.314 -45.389 46.825 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.257 -42.944 45.017 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.266 -43.096 46.441 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.185 -45.053 45.626 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.067 -46.477 45.024 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.073 -44.964 44.086 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.241 -41.810 46.936 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.254 -43.332 47.858 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.229 -43.177 46.412 1.00 0.00 H new ATOM 326 N ASN A 23 -9.755 -47.679 45.826 1.00 0.00 N ATOM 327 CA ASN A 23 -9.742 -49.129 45.714 1.00 0.00 C ATOM 328 C ASN A 23 -10.767 -49.592 44.701 1.00 0.00 C ATOM 329 O ASN A 23 -10.527 -50.512 43.927 1.00 0.00 O ATOM 330 CB ASN A 23 -10.062 -49.755 47.068 1.00 0.00 C ATOM 331 CG ASN A 23 -8.857 -49.823 47.995 1.00 0.00 C ATOM 332 OD1 ASN A 23 -7.938 -49.007 47.905 1.00 0.00 O ATOM 333 ND2 ASN A 23 -8.852 -50.791 48.892 1.00 0.00 N ATOM 0 H ASN A 23 -9.977 -47.338 46.761 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.750 -49.440 45.387 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.852 -49.179 47.550 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.451 -50.761 46.913 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.070 -50.882 49.540 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.630 -51.448 48.937 1.00 0.00 H new ATOM 340 N TYR A 24 -11.915 -48.970 44.734 1.00 0.00 N ATOM 341 CA TYR A 24 -12.972 -49.274 43.805 1.00 0.00 C ATOM 342 C TYR A 24 -12.617 -48.837 42.372 1.00 0.00 C ATOM 343 O TYR A 24 -12.898 -49.557 41.406 1.00 0.00 O ATOM 344 CB TYR A 24 -14.274 -48.647 44.274 1.00 0.00 C ATOM 345 CG TYR A 24 -15.396 -48.732 43.275 1.00 0.00 C ATOM 346 CD1 TYR A 24 -16.099 -49.908 43.114 1.00 0.00 C ATOM 347 CD2 TYR A 24 -15.744 -47.641 42.495 1.00 0.00 C ATOM 348 CE1 TYR A 24 -17.123 -50.008 42.200 1.00 0.00 C ATOM 349 CE2 TYR A 24 -16.768 -47.723 41.576 1.00 0.00 C ATOM 350 CZ TYR A 24 -17.457 -48.910 41.429 1.00 0.00 C ATOM 351 OH TYR A 24 -18.480 -49.004 40.505 1.00 0.00 O ATOM 0 H TYR A 24 -12.145 -48.238 45.406 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.100 -50.356 43.777 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -14.587 -49.135 45.197 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.094 -47.599 44.513 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -15.841 -50.766 43.717 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.205 -46.712 42.609 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -17.662 -50.937 42.086 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.029 -46.865 40.975 1.00 0.00 H new ATOM 0 HH TYR A 24 -18.588 -48.144 40.048 1.00 0.00 H new ATOM 361 N LYS A 25 -11.994 -47.662 42.241 1.00 0.00 N ATOM 362 CA LYS A 25 -11.635 -47.122 40.929 1.00 0.00 C ATOM 363 C LYS A 25 -10.675 -48.035 40.170 1.00 0.00 C ATOM 364 O LYS A 25 -10.847 -48.248 38.969 1.00 0.00 O ATOM 365 CB LYS A 25 -11.032 -45.716 41.048 1.00 0.00 C ATOM 366 CG LYS A 25 -12.017 -44.637 41.486 1.00 0.00 C ATOM 367 CD LYS A 25 -13.040 -44.361 40.389 1.00 0.00 C ATOM 368 CE LYS A 25 -13.769 -43.045 40.611 1.00 0.00 C ATOM 369 NZ LYS A 25 -14.691 -43.092 41.769 1.00 0.00 N ATOM 0 H LYS A 25 -11.729 -47.068 43.027 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.562 -47.061 40.359 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.208 -45.748 41.761 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.609 -45.434 40.084 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.528 -44.952 42.395 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.477 -43.721 41.725 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.538 -44.339 39.422 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.764 -45.175 40.354 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.038 -42.251 40.765 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.332 -42.790 39.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.560 -42.568 41.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.929 -44.081 41.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.232 -42.659 42.596 1.00 0.00 H new ATOM 383 N VAL A 26 -9.673 -48.586 40.857 1.00 0.00 N ATOM 384 CA VAL A 26 -8.734 -49.486 40.202 1.00 0.00 C ATOM 385 C VAL A 26 -9.429 -50.749 39.710 1.00 0.00 C ATOM 386 O VAL A 26 -9.096 -51.271 38.648 1.00 0.00 O ATOM 387 CB VAL A 26 -7.520 -49.863 41.086 1.00 0.00 C ATOM 388 CG1 VAL A 26 -6.584 -48.682 41.251 1.00 0.00 C ATOM 389 CG2 VAL A 26 -7.957 -50.394 42.440 1.00 0.00 C ATOM 0 H VAL A 26 -9.496 -48.427 41.849 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.346 -48.930 39.349 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.981 -50.661 40.576 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.739 -48.972 41.876 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.221 -48.366 40.273 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.118 -47.857 41.723 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.078 -50.648 43.032 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.537 -49.631 42.960 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.570 -51.284 42.301 1.00 0.00 H new ATOM 399 N LYS A 27 -10.408 -51.224 40.475 1.00 0.00 N ATOM 400 CA LYS A 27 -11.168 -52.405 40.092 1.00 0.00 C ATOM 401 C LYS A 27 -11.909 -52.132 38.795 1.00 0.00 C ATOM 402 O LYS A 27 -11.942 -52.964 37.887 1.00 0.00 O ATOM 403 CB LYS A 27 -12.180 -52.761 41.176 1.00 0.00 C ATOM 404 CG LYS A 27 -11.563 -53.158 42.501 1.00 0.00 C ATOM 405 CD LYS A 27 -12.636 -53.520 43.507 1.00 0.00 C ATOM 406 CE LYS A 27 -12.036 -53.910 44.845 1.00 0.00 C ATOM 407 NZ LYS A 27 -13.080 -54.261 45.836 1.00 0.00 N ATOM 0 H LYS A 27 -10.692 -50.808 41.362 1.00 0.00 H new ATOM 0 HA LYS A 27 -10.477 -53.237 39.960 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.838 -51.907 41.337 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.803 -53.581 40.819 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.893 -54.006 42.356 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.959 -52.337 42.887 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.310 -52.674 43.642 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.234 -54.345 43.121 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.365 -54.758 44.709 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.434 -53.085 45.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.630 -54.522 46.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.706 -53.444 45.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.638 -55.064 45.483 1.00 0.00 H new ATOM 421 N HIS A 28 -12.484 -50.945 38.717 1.00 0.00 N ATOM 422 CA HIS A 28 -13.236 -50.514 37.555 1.00 0.00 C ATOM 423 C HIS A 28 -12.306 -50.374 36.344 1.00 0.00 C ATOM 424 O HIS A 28 -12.656 -50.770 35.226 1.00 0.00 O ATOM 425 CB HIS A 28 -13.932 -49.182 37.866 1.00 0.00 C ATOM 426 CG HIS A 28 -14.923 -48.742 36.839 1.00 0.00 C ATOM 427 ND1 HIS A 28 -14.727 -47.657 36.009 1.00 0.00 N ATOM 428 CD2 HIS A 28 -16.149 -49.223 36.538 1.00 0.00 C ATOM 429 CE1 HIS A 28 -15.790 -47.493 35.248 1.00 0.00 C ATOM 430 NE2 HIS A 28 -16.667 -48.429 35.549 1.00 0.00 N ATOM 0 H HIS A 28 -12.441 -50.250 39.463 1.00 0.00 H new ATOM 0 HA HIS A 28 -13.993 -51.260 37.313 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -14.439 -49.268 38.827 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.173 -48.407 37.974 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -16.631 -50.076 36.993 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -15.920 -46.722 34.503 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -17.583 -48.544 35.116 1.00 0.00 H new ATOM 438 N ALA A 29 -11.120 -49.815 36.582 1.00 0.00 N ATOM 439 CA ALA A 29 -10.124 -49.638 35.533 1.00 0.00 C ATOM 440 C ALA A 29 -9.644 -50.983 34.991 1.00 0.00 C ATOM 441 O ALA A 29 -9.458 -51.141 33.788 1.00 0.00 O ATOM 442 CB ALA A 29 -8.945 -48.821 36.051 1.00 0.00 C ATOM 0 H ALA A 29 -10.827 -49.476 37.498 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.594 -49.095 34.713 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.210 -48.698 35.255 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.296 -47.841 36.376 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.485 -49.339 36.893 1.00 0.00 H new ATOM 448 N LEU A 30 -9.479 -51.960 35.883 1.00 0.00 N ATOM 449 CA LEU A 30 -9.017 -53.294 35.495 1.00 0.00 C ATOM 450 C LEU A 30 -9.983 -53.951 34.531 1.00 0.00 C ATOM 451 O LEU A 30 -9.565 -54.624 33.588 1.00 0.00 O ATOM 452 CB LEU A 30 -8.794 -54.190 36.721 1.00 0.00 C ATOM 453 CG LEU A 30 -7.599 -53.833 37.613 1.00 0.00 C ATOM 454 CD1 LEU A 30 -7.626 -54.656 38.889 1.00 0.00 C ATOM 455 CD2 LEU A 30 -6.291 -54.061 36.867 1.00 0.00 C ATOM 0 H LEU A 30 -9.659 -51.853 36.881 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.060 -53.168 34.989 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.697 -54.166 37.332 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.670 -55.217 36.377 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.669 -52.778 37.877 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.771 -54.391 39.511 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.548 -54.453 39.434 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.578 -55.716 38.639 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.453 -53.803 37.514 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.216 -55.109 36.577 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.267 -53.435 35.975 1.00 0.00 H new ATOM 467 N GLU A 31 -11.274 -53.748 34.759 1.00 0.00 N ATOM 468 CA GLU A 31 -12.306 -54.313 33.901 1.00 0.00 C ATOM 469 C GLU A 31 -12.116 -53.854 32.452 1.00 0.00 C ATOM 470 O GLU A 31 -12.270 -54.637 31.524 1.00 0.00 O ATOM 471 CB GLU A 31 -13.689 -53.897 34.402 1.00 0.00 C ATOM 472 CG GLU A 31 -14.058 -54.486 35.756 1.00 0.00 C ATOM 473 CD GLU A 31 -15.385 -53.969 36.276 1.00 0.00 C ATOM 474 OE1 GLU A 31 -15.551 -52.736 36.381 1.00 0.00 O ATOM 475 OE2 GLU A 31 -16.273 -54.793 36.568 1.00 0.00 O ATOM 0 H GLU A 31 -11.632 -53.193 35.536 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.225 -55.399 33.934 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.729 -52.810 34.467 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.436 -54.200 33.669 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.102 -55.572 35.675 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.274 -54.251 36.476 1.00 0.00 H new ATOM 482 N PHE A 32 -11.813 -52.583 32.267 1.00 0.00 N ATOM 483 CA PHE A 32 -11.555 -52.048 30.934 1.00 0.00 C ATOM 484 C PHE A 32 -10.183 -52.478 30.404 1.00 0.00 C ATOM 485 O PHE A 32 -10.021 -52.748 29.209 1.00 0.00 O ATOM 486 CB PHE A 32 -11.689 -50.524 30.912 1.00 0.00 C ATOM 487 CG PHE A 32 -13.103 -50.049 31.067 1.00 0.00 C ATOM 488 CD1 PHE A 32 -13.971 -50.063 29.986 1.00 0.00 C ATOM 489 CD2 PHE A 32 -13.571 -49.596 32.290 1.00 0.00 C ATOM 490 CE1 PHE A 32 -15.275 -49.634 30.121 1.00 0.00 C ATOM 491 CE2 PHE A 32 -14.874 -49.167 32.427 1.00 0.00 C ATOM 492 CZ PHE A 32 -15.727 -49.185 31.344 1.00 0.00 C ATOM 0 H PHE A 32 -11.738 -51.898 33.019 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.312 -52.466 30.270 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.082 -50.102 31.712 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.287 -50.145 29.973 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -13.622 -50.414 29.026 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -12.909 -49.579 33.143 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -15.941 -49.650 29.271 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -15.227 -48.816 33.385 1.00 0.00 H new ATOM 0 HZ PHE A 32 -16.747 -48.848 31.453 1.00 0.00 H new ATOM 502 N LEU A 33 -9.206 -52.536 31.296 1.00 0.00 N ATOM 503 CA LEU A 33 -7.838 -52.914 30.932 1.00 0.00 C ATOM 504 C LEU A 33 -7.773 -54.341 30.399 1.00 0.00 C ATOM 505 O LEU A 33 -7.119 -54.608 29.394 1.00 0.00 O ATOM 506 CB LEU A 33 -6.914 -52.771 32.141 1.00 0.00 C ATOM 507 CG LEU A 33 -6.657 -51.343 32.621 1.00 0.00 C ATOM 508 CD1 LEU A 33 -5.918 -51.361 33.942 1.00 0.00 C ATOM 509 CD2 LEU A 33 -5.868 -50.559 31.578 1.00 0.00 C ATOM 0 H LEU A 33 -9.331 -52.325 32.286 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.509 -52.242 30.139 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.339 -53.340 32.968 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.956 -53.230 31.897 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.617 -50.848 32.765 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.741 -50.338 34.274 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.517 -51.885 34.687 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.964 -51.873 33.818 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.695 -49.545 31.939 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.911 -51.049 31.402 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.433 -50.521 30.647 1.00 0.00 H new ATOM 521 N GLU A 34 -8.470 -55.249 31.056 1.00 0.00 N ATOM 522 CA GLU A 34 -8.480 -56.645 30.642 1.00 0.00 C ATOM 523 C GLU A 34 -9.098 -56.805 29.249 1.00 0.00 C ATOM 524 O GLU A 34 -8.845 -57.785 28.556 1.00 0.00 O ATOM 525 CB GLU A 34 -9.177 -57.530 31.695 1.00 0.00 C ATOM 526 CG GLU A 34 -10.637 -57.231 31.937 1.00 0.00 C ATOM 527 CD GLU A 34 -11.561 -58.059 31.062 1.00 0.00 C ATOM 528 OE1 GLU A 34 -11.703 -59.272 31.323 1.00 0.00 O ATOM 529 OE2 GLU A 34 -12.147 -57.513 30.112 1.00 0.00 O ATOM 0 H GLU A 34 -9.038 -55.048 31.879 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.447 -56.986 30.571 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.084 -58.571 31.387 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.643 -57.429 32.640 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.872 -57.418 32.985 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.822 -56.173 31.753 1.00 0.00 H new ATOM 536 N GLN A 35 -9.917 -55.828 28.864 1.00 0.00 N ATOM 537 CA GLN A 35 -10.514 -55.782 27.541 1.00 0.00 C ATOM 538 C GLN A 35 -9.453 -55.447 26.489 1.00 0.00 C ATOM 539 O GLN A 35 -9.492 -55.951 25.366 1.00 0.00 O ATOM 540 CB GLN A 35 -11.626 -54.734 27.504 1.00 0.00 C ATOM 541 CG GLN A 35 -12.800 -55.052 28.409 1.00 0.00 C ATOM 542 CD GLN A 35 -13.855 -53.966 28.413 1.00 0.00 C ATOM 543 OE1 GLN A 35 -14.086 -53.300 27.409 1.00 0.00 O ATOM 544 NE2 GLN A 35 -14.485 -53.769 29.546 1.00 0.00 N ATOM 0 H GLN A 35 -10.182 -55.048 29.465 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.937 -56.761 27.317 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.211 -53.768 27.790 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.986 -54.636 26.480 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.254 -55.990 28.090 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.437 -55.202 29.426 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.264 -54.344 30.359 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.196 -53.041 29.614 1.00 0.00 H new ATOM 553 N GLY A 36 -8.500 -54.608 26.872 1.00 0.00 N ATOM 554 CA GLY A 36 -7.469 -54.177 25.952 1.00 0.00 C ATOM 555 C GLY A 36 -7.461 -52.675 25.762 1.00 0.00 C ATOM 556 O GLY A 36 -6.641 -52.137 25.021 1.00 0.00 O ATOM 0 H GLY A 36 -8.424 -54.216 27.811 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.496 -54.499 26.323 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.619 -54.662 24.988 1.00 0.00 H new ATOM 560 N LYS A 37 -8.374 -51.996 26.439 1.00 0.00 N ATOM 561 CA LYS A 37 -8.486 -50.553 26.330 1.00 0.00 C ATOM 562 C LYS A 37 -7.605 -49.817 27.310 1.00 0.00 C ATOM 563 O LYS A 37 -7.103 -50.386 28.280 1.00 0.00 O ATOM 564 CB LYS A 37 -9.927 -50.093 26.447 1.00 0.00 C ATOM 565 CG LYS A 37 -10.709 -50.301 25.173 1.00 0.00 C ATOM 566 CD LYS A 37 -12.140 -49.841 25.309 1.00 0.00 C ATOM 567 CE LYS A 37 -12.920 -50.776 26.221 1.00 0.00 C ATOM 568 NZ LYS A 37 -14.389 -50.670 26.027 1.00 0.00 N ATOM 0 H LYS A 37 -9.050 -52.425 27.072 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.126 -50.300 25.333 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.412 -50.634 27.259 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.946 -49.036 26.712 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.229 -49.757 24.359 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.691 -51.357 24.905 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.165 -48.828 25.711 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.611 -49.806 24.327 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.606 -51.803 26.036 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.677 -50.551 27.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.852 -51.518 26.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.745 -49.827 26.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.600 -50.590 25.012 1.00 0.00 H new ATOM 582 N HIS A 38 -7.436 -48.541 27.043 1.00 0.00 N ATOM 583 CA HIS A 38 -6.571 -47.679 27.821 1.00 0.00 C ATOM 584 C HIS A 38 -7.380 -46.876 28.830 1.00 0.00 C ATOM 585 O HIS A 38 -8.561 -46.584 28.599 1.00 0.00 O ATOM 586 CB HIS A 38 -5.860 -46.711 26.877 1.00 0.00 C ATOM 587 CG HIS A 38 -4.375 -46.762 26.931 1.00 0.00 C ATOM 588 ND1 HIS A 38 -3.611 -45.768 27.490 1.00 0.00 N ATOM 589 CD2 HIS A 38 -3.506 -47.669 26.453 1.00 0.00 C ATOM 590 CE1 HIS A 38 -2.338 -46.068 27.356 1.00 0.00 C ATOM 591 NE2 HIS A 38 -2.247 -47.210 26.733 1.00 0.00 N ATOM 0 H HIS A 38 -7.901 -48.066 26.270 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.849 -48.295 28.357 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.179 -46.921 25.856 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -6.183 -45.696 27.110 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.754 -48.588 25.943 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.508 -45.470 27.703 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.377 -47.685 26.493 1.00 0.00 H new ATOM 599 N VAL A 39 -6.750 -46.528 29.941 1.00 0.00 N ATOM 600 CA VAL A 39 -7.377 -45.678 30.937 1.00 0.00 C ATOM 601 C VAL A 39 -6.579 -44.401 31.117 1.00 0.00 C ATOM 602 O VAL A 39 -5.356 -44.429 31.289 1.00 0.00 O ATOM 603 CB VAL A 39 -7.552 -46.378 32.325 1.00 0.00 C ATOM 604 CG1 VAL A 39 -7.853 -45.351 33.409 1.00 0.00 C ATOM 605 CG2 VAL A 39 -8.686 -47.377 32.280 1.00 0.00 C ATOM 0 H VAL A 39 -5.802 -46.823 30.175 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.375 -45.453 30.560 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.619 -46.893 32.554 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.971 -45.857 34.367 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.030 -44.639 33.474 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.773 -44.821 33.163 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.791 -47.853 33.255 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.613 -46.864 32.025 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.473 -48.136 31.527 1.00 0.00 H new ATOM 615 N ARG A 40 -7.275 -43.297 31.057 1.00 0.00 N ATOM 616 CA ARG A 40 -6.685 -41.996 31.260 1.00 0.00 C ATOM 617 C ARG A 40 -7.051 -41.512 32.654 1.00 0.00 C ATOM 618 O ARG A 40 -8.216 -41.282 32.937 1.00 0.00 O ATOM 619 CB ARG A 40 -7.251 -41.015 30.227 1.00 0.00 C ATOM 620 CG ARG A 40 -6.701 -39.604 30.331 1.00 0.00 C ATOM 621 CD ARG A 40 -7.481 -38.646 29.436 1.00 0.00 C ATOM 622 NE ARG A 40 -7.334 -38.950 28.015 1.00 0.00 N ATOM 623 CZ ARG A 40 -8.313 -38.837 27.107 1.00 0.00 C ATOM 624 NH1 ARG A 40 -9.543 -38.462 27.475 1.00 0.00 N ATOM 625 NH2 ARG A 40 -8.057 -39.098 25.826 1.00 0.00 N ATOM 0 H ARG A 40 -8.276 -43.273 30.864 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.602 -42.056 31.151 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.044 -41.399 29.228 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.335 -40.978 30.336 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.753 -39.265 31.366 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.649 -39.598 30.046 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.537 -38.685 29.704 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.143 -37.627 29.621 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.422 -39.271 27.691 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.743 -38.259 28.454 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.281 -38.379 26.776 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.120 -39.382 25.541 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.798 -39.014 25.130 1.00 0.00 H new ATOM 639 N PHE A 41 -6.078 -41.368 33.519 1.00 0.00 N ATOM 640 CA PHE A 41 -6.359 -40.891 34.859 1.00 0.00 C ATOM 641 C PHE A 41 -6.211 -39.384 34.903 1.00 0.00 C ATOM 642 O PHE A 41 -5.145 -38.851 34.602 1.00 0.00 O ATOM 643 CB PHE A 41 -5.424 -41.546 35.885 1.00 0.00 C ATOM 644 CG PHE A 41 -5.682 -43.014 36.108 1.00 0.00 C ATOM 645 CD1 PHE A 41 -6.701 -43.439 36.953 1.00 0.00 C ATOM 646 CD2 PHE A 41 -4.909 -43.970 35.474 1.00 0.00 C ATOM 647 CE1 PHE A 41 -6.939 -44.785 37.157 1.00 0.00 C ATOM 648 CE2 PHE A 41 -5.145 -45.318 35.677 1.00 0.00 C ATOM 649 CZ PHE A 41 -6.162 -45.724 36.519 1.00 0.00 C ATOM 0 H PHE A 41 -5.097 -41.570 33.328 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.383 -41.163 35.117 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.393 -41.416 35.555 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.523 -41.023 36.836 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.315 -42.707 37.457 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.113 -43.661 34.813 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.734 -45.099 37.817 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.533 -46.054 35.176 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.347 -46.776 36.676 1.00 0.00 H new ATOM 659 N ARG A 42 -7.288 -38.703 35.250 1.00 0.00 N ATOM 660 CA ARG A 42 -7.290 -37.251 35.336 1.00 0.00 C ATOM 661 C ARG A 42 -7.694 -36.825 36.726 1.00 0.00 C ATOM 662 O ARG A 42 -8.805 -37.100 37.156 1.00 0.00 O ATOM 663 CB ARG A 42 -8.282 -36.643 34.334 1.00 0.00 C ATOM 664 CG ARG A 42 -7.930 -36.895 32.886 1.00 0.00 C ATOM 665 CD ARG A 42 -8.964 -36.315 31.933 1.00 0.00 C ATOM 666 NE ARG A 42 -9.101 -34.854 32.060 1.00 0.00 N ATOM 667 CZ ARG A 42 -8.306 -33.950 31.454 1.00 0.00 C ATOM 668 NH1 ARG A 42 -7.210 -34.343 30.805 1.00 0.00 N ATOM 669 NH2 ARG A 42 -8.592 -32.657 31.534 1.00 0.00 N ATOM 0 H ARG A 42 -8.182 -39.137 35.479 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.285 -36.898 35.105 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.275 -37.048 34.531 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.337 -35.567 34.501 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.955 -36.459 32.670 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.844 -37.968 32.716 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.686 -36.562 30.908 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.930 -36.784 32.123 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.854 -34.500 32.651 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.969 -35.333 30.765 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.613 -33.654 30.349 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.413 -32.348 32.054 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.991 -31.972 31.076 1.00 0.00 H new ATOM 683 N VAL A 43 -6.826 -36.137 37.412 1.00 0.00 N ATOM 684 CA VAL A 43 -7.128 -35.689 38.754 1.00 0.00 C ATOM 685 C VAL A 43 -7.174 -34.178 38.822 1.00 0.00 C ATOM 686 O VAL A 43 -6.259 -33.488 38.368 1.00 0.00 O ATOM 687 CB VAL A 43 -6.125 -36.240 39.811 1.00 0.00 C ATOM 688 CG1 VAL A 43 -4.701 -35.962 39.409 1.00 0.00 C ATOM 689 CG2 VAL A 43 -6.410 -35.653 41.190 1.00 0.00 C ATOM 0 H VAL A 43 -5.903 -35.871 37.070 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.112 -36.090 38.998 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.260 -37.321 39.860 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.025 -36.359 40.167 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.493 -36.440 38.452 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.552 -34.886 39.317 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.696 -36.053 41.910 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.316 -34.568 41.150 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.422 -35.918 41.496 1.00 0.00 H new ATOM 699 N PHE A 44 -8.252 -33.676 39.378 1.00 0.00 N ATOM 700 CA PHE A 44 -8.449 -32.264 39.524 1.00 0.00 C ATOM 701 C PHE A 44 -8.007 -31.823 40.908 1.00 0.00 C ATOM 702 O PHE A 44 -8.502 -32.334 41.925 1.00 0.00 O ATOM 703 CB PHE A 44 -9.923 -31.923 39.286 1.00 0.00 C ATOM 704 CG PHE A 44 -10.253 -30.468 39.449 1.00 0.00 C ATOM 705 CD1 PHE A 44 -9.958 -29.563 38.443 1.00 0.00 C ATOM 706 CD2 PHE A 44 -10.871 -30.008 40.597 1.00 0.00 C ATOM 707 CE1 PHE A 44 -10.271 -28.228 38.581 1.00 0.00 C ATOM 708 CE2 PHE A 44 -11.186 -28.672 40.743 1.00 0.00 C ATOM 709 CZ PHE A 44 -10.885 -27.779 39.733 1.00 0.00 C ATOM 0 H PHE A 44 -9.017 -34.244 39.742 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.848 -31.732 38.787 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.198 -32.236 38.279 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.534 -32.502 39.978 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.477 -29.908 37.540 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.110 -30.702 41.389 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -10.036 -27.533 37.788 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.667 -28.325 41.646 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.129 -26.733 39.844 1.00 0.00 H new ATOM 719 N LEU A 45 -7.061 -30.908 40.956 1.00 0.00 N ATOM 720 CA LEU A 45 -6.574 -30.410 42.223 1.00 0.00 C ATOM 721 C LEU A 45 -7.543 -29.381 42.772 1.00 0.00 C ATOM 722 O LEU A 45 -8.126 -28.605 42.014 1.00 0.00 O ATOM 723 CB LEU A 45 -5.185 -29.799 42.078 1.00 0.00 C ATOM 724 CG LEU A 45 -4.120 -30.687 41.424 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.755 -30.050 41.547 1.00 0.00 C ATOM 726 CD2 LEU A 45 -4.119 -32.074 42.025 1.00 0.00 C ATOM 0 H LEU A 45 -6.616 -30.496 40.135 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.500 -31.247 42.917 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.273 -28.883 41.494 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.831 -29.513 43.069 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.364 -30.784 40.366 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.010 -30.693 41.078 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.761 -29.079 41.051 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.509 -29.918 42.601 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.353 -32.680 41.541 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.908 -32.008 43.092 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.095 -32.536 41.876 1.00 0.00 H new ATOM 738 N LYS A 46 -7.712 -29.367 44.072 1.00 0.00 N ATOM 739 CA LYS A 46 -8.654 -28.463 44.689 1.00 0.00 C ATOM 740 C LYS A 46 -7.999 -27.727 45.849 1.00 0.00 C ATOM 741 O LYS A 46 -7.243 -28.319 46.617 1.00 0.00 O ATOM 742 CB LYS A 46 -9.878 -29.246 45.179 1.00 0.00 C ATOM 743 CG LYS A 46 -11.066 -28.379 45.568 1.00 0.00 C ATOM 744 CD LYS A 46 -11.645 -27.669 44.357 1.00 0.00 C ATOM 745 CE LYS A 46 -12.876 -26.851 44.718 1.00 0.00 C ATOM 746 NZ LYS A 46 -12.556 -25.736 45.649 1.00 0.00 N ATOM 0 H LYS A 46 -7.210 -29.971 44.723 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.975 -27.727 43.952 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.189 -29.937 44.395 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.587 -29.849 46.039 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.834 -28.997 46.033 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.756 -27.644 46.311 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.889 -27.015 43.923 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.907 -28.404 43.596 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.321 -26.447 43.809 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.621 -27.502 45.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.391 -25.127 45.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.284 -26.124 46.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.769 -25.177 45.263 1.00 0.00 H new ATOM 760 N GLY A 47 -8.270 -26.438 45.945 1.00 0.00 N ATOM 761 CA GLY A 47 -7.745 -25.642 47.036 1.00 0.00 C ATOM 762 C GLY A 47 -6.281 -25.278 46.872 1.00 0.00 C ATOM 763 O GLY A 47 -5.791 -25.101 45.752 1.00 0.00 O ATOM 0 H GLY A 47 -8.849 -25.923 45.282 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.331 -24.727 47.122 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.872 -26.191 47.969 1.00 0.00 H new ATOM 767 N ARG A 48 -5.590 -25.189 48.002 1.00 0.00 N ATOM 768 CA ARG A 48 -4.180 -24.808 48.068 1.00 0.00 C ATOM 769 C ARG A 48 -3.325 -25.788 47.266 1.00 0.00 C ATOM 770 O ARG A 48 -2.343 -25.397 46.633 1.00 0.00 O ATOM 771 CB ARG A 48 -3.747 -24.783 49.552 1.00 0.00 C ATOM 772 CG ARG A 48 -2.365 -24.196 49.857 1.00 0.00 C ATOM 773 CD ARG A 48 -1.230 -25.128 49.459 1.00 0.00 C ATOM 774 NE ARG A 48 -1.412 -26.490 49.975 1.00 0.00 N ATOM 775 CZ ARG A 48 -0.474 -27.434 49.938 1.00 0.00 C ATOM 776 NH1 ARG A 48 0.751 -27.144 49.498 1.00 0.00 N ATOM 777 NH2 ARG A 48 -0.763 -28.667 50.335 1.00 0.00 N ATOM 0 H ARG A 48 -5.999 -25.383 48.916 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.041 -23.819 47.633 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.489 -24.215 50.113 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.774 -25.805 49.931 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.253 -23.248 49.330 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.294 -23.979 50.923 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.157 -25.162 48.372 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.287 -24.726 49.830 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.314 -26.728 50.388 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.971 -26.197 49.189 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.468 -27.869 49.471 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.701 -28.889 50.667 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.047 -29.393 50.308 1.00 0.00 H new ATOM 791 N GLU A 49 -3.718 -27.056 47.299 1.00 0.00 N ATOM 792 CA GLU A 49 -3.000 -28.140 46.633 1.00 0.00 C ATOM 793 C GLU A 49 -2.760 -27.888 45.139 1.00 0.00 C ATOM 794 O GLU A 49 -1.920 -28.541 44.535 1.00 0.00 O ATOM 795 CB GLU A 49 -3.741 -29.454 46.834 1.00 0.00 C ATOM 796 CG GLU A 49 -3.593 -30.040 48.234 1.00 0.00 C ATOM 797 CD GLU A 49 -4.139 -29.138 49.332 1.00 0.00 C ATOM 798 OE1 GLU A 49 -5.253 -28.606 49.171 1.00 0.00 O ATOM 799 OE2 GLU A 49 -3.452 -28.965 50.360 1.00 0.00 O ATOM 0 H GLU A 49 -4.554 -27.366 47.795 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.014 -28.191 47.096 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.800 -29.298 46.626 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.377 -30.180 46.107 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.108 -31.000 48.274 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.538 -30.236 48.427 1.00 0.00 H new ATOM 806 N MET A 50 -3.485 -26.939 44.551 1.00 0.00 N ATOM 807 CA MET A 50 -3.297 -26.602 43.145 1.00 0.00 C ATOM 808 C MET A 50 -1.901 -26.057 42.902 1.00 0.00 C ATOM 809 O MET A 50 -1.311 -26.270 41.842 1.00 0.00 O ATOM 810 CB MET A 50 -4.330 -25.586 42.670 1.00 0.00 C ATOM 811 CG MET A 50 -5.746 -26.127 42.598 1.00 0.00 C ATOM 812 SD MET A 50 -6.895 -24.933 41.899 1.00 0.00 S ATOM 813 CE MET A 50 -6.176 -24.728 40.274 1.00 0.00 C ATOM 0 H MET A 50 -4.204 -26.393 45.025 1.00 0.00 H new ATOM 0 HA MET A 50 -3.428 -27.521 42.574 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.315 -24.728 43.342 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.040 -25.224 41.683 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.756 -27.035 41.994 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.078 -26.406 43.598 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.825 -24.098 39.666 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.197 -24.258 40.366 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.067 -25.703 39.799 1.00 0.00 H new ATOM 823 N ALA A 51 -1.385 -25.340 43.890 1.00 0.00 N ATOM 824 CA ALA A 51 -0.061 -24.749 43.816 1.00 0.00 C ATOM 825 C ALA A 51 1.015 -25.821 43.653 1.00 0.00 C ATOM 826 O ALA A 51 2.024 -25.604 42.987 1.00 0.00 O ATOM 827 CB ALA A 51 0.208 -23.916 45.061 1.00 0.00 C ATOM 0 H ALA A 51 -1.875 -25.153 44.765 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.026 -24.103 42.939 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.203 -23.477 44.997 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.535 -23.122 45.135 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.149 -24.552 45.944 1.00 0.00 H new ATOM 833 N THR A 52 0.789 -26.978 44.254 1.00 0.00 N ATOM 834 CA THR A 52 1.758 -28.048 44.208 1.00 0.00 C ATOM 835 C THR A 52 1.207 -29.291 43.488 1.00 0.00 C ATOM 836 O THR A 52 0.394 -30.039 44.039 1.00 0.00 O ATOM 837 CB THR A 52 2.240 -28.417 45.630 1.00 0.00 C ATOM 838 OG1 THR A 52 1.119 -28.788 46.448 1.00 0.00 O ATOM 839 CG2 THR A 52 2.961 -27.232 46.265 1.00 0.00 C ATOM 0 H THR A 52 -0.059 -27.195 44.778 1.00 0.00 H new ATOM 0 HA THR A 52 2.610 -27.685 43.634 1.00 0.00 H new ATOM 0 HB THR A 52 2.929 -29.259 45.557 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.503 -29.344 45.926 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.296 -27.504 47.266 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.823 -26.961 45.655 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.280 -26.383 46.328 1.00 0.00 H new ATOM 847 N PRO A 53 1.667 -29.522 42.243 1.00 0.00 N ATOM 848 CA PRO A 53 1.221 -30.652 41.389 1.00 0.00 C ATOM 849 C PRO A 53 1.554 -32.021 41.982 1.00 0.00 C ATOM 850 O PRO A 53 1.014 -33.044 41.552 1.00 0.00 O ATOM 851 CB PRO A 53 2.006 -30.441 40.088 1.00 0.00 C ATOM 852 CG PRO A 53 2.387 -29.003 40.111 1.00 0.00 C ATOM 853 CD PRO A 53 2.649 -28.685 41.547 1.00 0.00 C ATOM 0 HA PRO A 53 0.138 -30.655 41.268 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.885 -31.084 40.046 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.398 -30.676 39.215 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.272 -28.821 39.501 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.589 -28.379 39.710 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.670 -28.932 41.837 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.504 -27.626 41.761 1.00 0.00 H new ATOM 861 N GLU A 54 2.442 -32.024 42.970 1.00 0.00 N ATOM 862 CA GLU A 54 2.887 -33.247 43.640 1.00 0.00 C ATOM 863 C GLU A 54 1.700 -34.054 44.191 1.00 0.00 C ATOM 864 O GLU A 54 1.749 -35.285 44.242 1.00 0.00 O ATOM 865 CB GLU A 54 3.839 -32.882 44.785 1.00 0.00 C ATOM 866 CG GLU A 54 3.172 -32.065 45.876 1.00 0.00 C ATOM 867 CD GLU A 54 4.107 -31.688 46.996 1.00 0.00 C ATOM 868 OE1 GLU A 54 4.457 -32.565 47.800 1.00 0.00 O ATOM 869 OE2 GLU A 54 4.472 -30.496 47.096 1.00 0.00 O ATOM 0 H GLU A 54 2.877 -31.176 43.333 1.00 0.00 H new ATOM 0 HA GLU A 54 3.402 -33.868 42.907 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.243 -33.797 45.220 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.683 -32.321 44.383 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.757 -31.157 45.438 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.336 -32.632 46.285 1.00 0.00 H new ATOM 876 N ALA A 55 0.636 -33.352 44.582 1.00 0.00 N ATOM 877 CA ALA A 55 -0.538 -33.991 45.157 1.00 0.00 C ATOM 878 C ALA A 55 -1.202 -34.925 44.152 1.00 0.00 C ATOM 879 O ALA A 55 -1.612 -36.037 44.495 1.00 0.00 O ATOM 880 CB ALA A 55 -1.524 -32.940 45.636 1.00 0.00 C ATOM 0 H ALA A 55 0.567 -32.337 44.509 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.217 -34.589 46.010 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.398 -33.430 46.064 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.051 -32.315 46.393 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.832 -32.319 44.794 1.00 0.00 H new ATOM 886 N GLY A 56 -1.296 -34.469 42.911 1.00 0.00 N ATOM 887 CA GLY A 56 -1.888 -35.279 41.870 1.00 0.00 C ATOM 888 C GLY A 56 -1.038 -36.483 41.547 1.00 0.00 C ATOM 889 O GLY A 56 -1.549 -37.587 41.367 1.00 0.00 O ATOM 0 H GLY A 56 -0.972 -33.551 42.608 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.879 -35.607 42.184 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.021 -34.676 40.972 1.00 0.00 H new ATOM 893 N VAL A 57 0.267 -36.265 41.498 1.00 0.00 N ATOM 894 CA VAL A 57 1.222 -37.319 41.183 1.00 0.00 C ATOM 895 C VAL A 57 1.203 -38.416 42.245 1.00 0.00 C ATOM 896 O VAL A 57 1.150 -39.601 41.922 1.00 0.00 O ATOM 897 CB VAL A 57 2.653 -36.745 41.050 1.00 0.00 C ATOM 898 CG1 VAL A 57 3.664 -37.848 40.805 1.00 0.00 C ATOM 899 CG2 VAL A 57 2.705 -35.717 39.933 1.00 0.00 C ATOM 0 H VAL A 57 0.694 -35.356 41.675 1.00 0.00 H new ATOM 0 HA VAL A 57 0.925 -37.754 40.228 1.00 0.00 H new ATOM 0 HB VAL A 57 2.912 -36.257 41.989 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.660 -37.415 40.716 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.647 -38.549 41.639 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.413 -38.374 39.884 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.717 -35.321 39.850 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.421 -36.188 38.992 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.014 -34.904 40.155 1.00 0.00 H new ATOM 909 N ALA A 58 1.214 -38.009 43.507 1.00 0.00 N ATOM 910 CA ALA A 58 1.200 -38.952 44.618 1.00 0.00 C ATOM 911 C ALA A 58 -0.062 -39.796 44.592 1.00 0.00 C ATOM 912 O ALA A 58 -0.030 -40.997 44.885 1.00 0.00 O ATOM 913 CB ALA A 58 1.314 -38.210 45.942 1.00 0.00 C ATOM 0 H ALA A 58 1.233 -37.029 43.788 1.00 0.00 H new ATOM 0 HA ALA A 58 2.058 -39.617 44.514 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.302 -38.927 46.763 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.247 -37.648 45.965 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.474 -37.523 46.048 1.00 0.00 H new ATOM 919 N LEU A 59 -1.170 -39.164 44.238 1.00 0.00 N ATOM 920 CA LEU A 59 -2.445 -39.850 44.146 1.00 0.00 C ATOM 921 C LEU A 59 -2.393 -40.924 43.054 1.00 0.00 C ATOM 922 O LEU A 59 -2.816 -42.062 43.260 1.00 0.00 O ATOM 923 CB LEU A 59 -3.547 -38.843 43.815 1.00 0.00 C ATOM 924 CG LEU A 59 -4.958 -39.411 43.718 1.00 0.00 C ATOM 925 CD1 LEU A 59 -5.466 -39.825 45.085 1.00 0.00 C ATOM 926 CD2 LEU A 59 -5.894 -38.405 43.092 1.00 0.00 C ATOM 0 H LEU A 59 -1.209 -38.171 44.009 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.657 -40.326 45.103 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.541 -38.063 44.577 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.303 -38.364 42.867 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.924 -40.295 43.082 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.475 -40.227 44.992 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.808 -40.588 45.502 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.481 -38.958 45.746 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.896 -38.829 43.031 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.918 -37.502 43.702 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.544 -38.157 42.090 1.00 0.00 H new ATOM 938 N LEU A 60 -1.852 -40.546 41.908 1.00 0.00 N ATOM 939 CA LEU A 60 -1.748 -41.432 40.767 1.00 0.00 C ATOM 940 C LEU A 60 -0.812 -42.605 41.034 1.00 0.00 C ATOM 941 O LEU A 60 -1.105 -43.734 40.649 1.00 0.00 O ATOM 942 CB LEU A 60 -1.307 -40.653 39.535 1.00 0.00 C ATOM 943 CG LEU A 60 -2.310 -39.617 39.026 1.00 0.00 C ATOM 944 CD1 LEU A 60 -1.740 -38.854 37.864 1.00 0.00 C ATOM 945 CD2 LEU A 60 -3.613 -40.271 38.629 1.00 0.00 C ATOM 0 H LEU A 60 -1.472 -39.613 41.745 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.737 -41.852 40.584 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.369 -40.146 39.762 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.101 -41.361 38.732 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.510 -38.920 39.840 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.469 -38.122 37.517 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.831 -38.340 38.177 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.506 -39.545 37.054 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.307 -39.511 38.271 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.429 -40.997 37.837 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.044 -40.778 39.493 1.00 0.00 H new ATOM 957 N GLU A 61 0.310 -42.336 41.702 1.00 0.00 N ATOM 958 CA GLU A 61 1.275 -43.389 42.021 1.00 0.00 C ATOM 959 C GLU A 61 0.656 -44.452 42.930 1.00 0.00 C ATOM 960 O GLU A 61 0.987 -45.641 42.831 1.00 0.00 O ATOM 961 CB GLU A 61 2.536 -42.813 42.656 1.00 0.00 C ATOM 962 CG GLU A 61 3.371 -41.961 41.713 1.00 0.00 C ATOM 963 CD GLU A 61 4.597 -41.398 42.390 1.00 0.00 C ATOM 964 OE1 GLU A 61 4.477 -40.904 43.531 1.00 0.00 O ATOM 965 OE2 GLU A 61 5.693 -41.451 41.792 1.00 0.00 O ATOM 0 H GLU A 61 0.572 -41.407 42.030 1.00 0.00 H new ATOM 0 HA GLU A 61 1.556 -43.866 41.082 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.253 -42.210 43.519 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.150 -43.633 43.028 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.675 -42.562 40.856 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.762 -41.143 41.329 1.00 0.00 H new ATOM 972 N LYS A 62 -0.242 -44.024 43.816 1.00 0.00 N ATOM 973 CA LYS A 62 -0.947 -44.952 44.688 1.00 0.00 C ATOM 974 C LYS A 62 -1.778 -45.912 43.850 1.00 0.00 C ATOM 975 O LYS A 62 -1.721 -47.118 44.029 1.00 0.00 O ATOM 976 CB LYS A 62 -1.848 -44.196 45.651 1.00 0.00 C ATOM 977 CG LYS A 62 -2.564 -45.092 46.644 1.00 0.00 C ATOM 978 CD LYS A 62 -3.448 -44.290 47.572 1.00 0.00 C ATOM 979 CE LYS A 62 -2.630 -43.452 48.541 1.00 0.00 C ATOM 980 NZ LYS A 62 -3.485 -42.799 49.560 1.00 0.00 N ATOM 0 H LYS A 62 -0.495 -43.045 43.946 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.215 -45.516 45.266 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.250 -43.467 46.198 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.589 -43.637 45.079 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.167 -45.824 46.107 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.831 -45.649 47.228 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.096 -43.639 46.985 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.096 -44.965 48.131 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.893 -44.084 49.036 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.078 -42.692 47.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.969 -42.742 50.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.733 -41.840 49.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.353 -43.356 49.693 1.00 0.00 H new ATOM 994 N ILE A 63 -2.516 -45.354 42.908 1.00 0.00 N ATOM 995 CA ILE A 63 -3.353 -46.131 42.009 1.00 0.00 C ATOM 996 C ILE A 63 -2.514 -47.047 41.139 1.00 0.00 C ATOM 997 O ILE A 63 -2.850 -48.220 40.947 1.00 0.00 O ATOM 998 CB ILE A 63 -4.226 -45.205 41.145 1.00 0.00 C ATOM 999 CG1 ILE A 63 -5.262 -44.532 42.035 1.00 0.00 C ATOM 1000 CG2 ILE A 63 -4.889 -45.958 39.998 1.00 0.00 C ATOM 1001 CD1 ILE A 63 -6.124 -43.540 41.324 1.00 0.00 C ATOM 0 H ILE A 63 -2.553 -44.348 42.744 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.011 -46.755 42.614 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.590 -44.446 40.689 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.898 -45.299 42.478 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.749 -44.030 42.856 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.496 -45.268 39.413 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.122 -46.398 39.360 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.523 -46.748 40.400 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.835 -43.106 42.027 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.500 -42.751 40.904 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.667 -44.039 40.521 1.00 0.00 H new ATOM 1013 N TRP A 64 -1.416 -46.516 40.632 1.00 0.00 N ATOM 1014 CA TRP A 64 -0.492 -47.292 39.835 1.00 0.00 C ATOM 1015 C TRP A 64 -0.006 -48.514 40.617 1.00 0.00 C ATOM 1016 O TRP A 64 0.164 -49.580 40.058 1.00 0.00 O ATOM 1017 CB TRP A 64 0.686 -46.428 39.360 1.00 0.00 C ATOM 1018 CG TRP A 64 1.802 -47.229 38.760 1.00 0.00 C ATOM 1019 CD1 TRP A 64 3.076 -47.329 39.228 1.00 0.00 C ATOM 1020 CD2 TRP A 64 1.741 -48.067 37.599 1.00 0.00 C ATOM 1021 NE1 TRP A 64 3.802 -48.173 38.425 1.00 0.00 N ATOM 1022 CE2 TRP A 64 3.012 -48.637 37.435 1.00 0.00 C ATOM 1023 CE3 TRP A 64 0.741 -48.393 36.686 1.00 0.00 C ATOM 1024 CZ2 TRP A 64 3.313 -49.512 36.411 1.00 0.00 C ATOM 1025 CZ3 TRP A 64 1.048 -49.263 35.663 1.00 0.00 C ATOM 1026 CH2 TRP A 64 2.326 -49.812 35.541 1.00 0.00 C ATOM 0 H TRP A 64 -1.144 -45.542 40.761 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.017 -47.646 38.948 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.327 -45.709 38.624 1.00 0.00 H new ATOM 0 HB3 TRP A 64 1.071 -45.855 40.203 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.459 -46.820 40.101 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.785 -48.412 38.556 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.250 -47.974 36.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.300 -49.940 36.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.287 -49.525 34.943 1.00 0.00 H new ATOM 0 HH2 TRP A 64 2.530 -50.495 34.729 1.00 0.00 H new ATOM 1037 N THR A 65 0.183 -48.347 41.912 1.00 0.00 N ATOM 1038 CA THR A 65 0.633 -49.433 42.772 1.00 0.00 C ATOM 1039 C THR A 65 -0.364 -50.612 42.735 1.00 0.00 C ATOM 1040 O THR A 65 0.032 -51.775 42.639 1.00 0.00 O ATOM 1041 CB THR A 65 0.790 -48.942 44.230 1.00 0.00 C ATOM 1042 OG1 THR A 65 1.766 -47.887 44.281 1.00 0.00 O ATOM 1043 CG2 THR A 65 1.225 -50.081 45.149 1.00 0.00 C ATOM 0 H THR A 65 0.031 -47.463 42.398 1.00 0.00 H new ATOM 0 HA THR A 65 1.600 -49.773 42.400 1.00 0.00 H new ATOM 0 HB THR A 65 -0.176 -48.572 44.572 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.449 -47.122 43.757 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.328 -49.707 46.168 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.476 -50.873 45.127 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.182 -50.477 44.810 1.00 0.00 H new ATOM 1051 N MET A 66 -1.650 -50.302 42.814 1.00 0.00 N ATOM 1052 CA MET A 66 -2.695 -51.326 42.796 1.00 0.00 C ATOM 1053 C MET A 66 -2.797 -52.048 41.450 1.00 0.00 C ATOM 1054 O MET A 66 -3.000 -53.257 41.405 1.00 0.00 O ATOM 1055 CB MET A 66 -4.054 -50.727 43.146 1.00 0.00 C ATOM 1056 CG MET A 66 -4.315 -50.554 44.624 1.00 0.00 C ATOM 1057 SD MET A 66 -3.256 -49.333 45.396 1.00 0.00 S ATOM 1058 CE MET A 66 -4.109 -49.141 46.946 1.00 0.00 C ATOM 0 H MET A 66 -2.000 -49.347 42.892 1.00 0.00 H new ATOM 0 HA MET A 66 -2.408 -52.060 43.549 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.141 -49.755 42.661 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.833 -51.363 42.727 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.356 -50.266 44.770 1.00 0.00 H new ATOM 0 HG3 MET A 66 -4.177 -51.512 45.124 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.585 -48.410 47.562 1.00 0.00 H new ATOM 0 HE2 MET A 66 -5.126 -48.797 46.761 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.139 -50.099 47.466 1.00 0.00 H new ATOM 1068 N ILE A 67 -2.654 -51.307 40.362 1.00 0.00 N ATOM 1069 CA ILE A 67 -2.865 -51.876 39.032 1.00 0.00 C ATOM 1070 C ILE A 67 -1.577 -52.288 38.318 1.00 0.00 C ATOM 1071 O ILE A 67 -1.643 -52.896 37.266 1.00 0.00 O ATOM 1072 CB ILE A 67 -3.657 -50.907 38.125 1.00 0.00 C ATOM 1073 CG1 ILE A 67 -2.923 -49.563 37.995 1.00 0.00 C ATOM 1074 CG2 ILE A 67 -5.062 -50.706 38.666 1.00 0.00 C ATOM 1075 CD1 ILE A 67 -3.568 -48.605 37.017 1.00 0.00 C ATOM 0 H ILE A 67 -2.396 -50.320 40.368 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.442 -52.784 39.207 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.732 -51.347 37.131 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.876 -49.089 38.976 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.896 -49.750 37.682 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.607 -50.021 38.017 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.580 -51.665 38.699 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.008 -50.288 39.671 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.993 -47.680 36.981 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.591 -49.057 36.026 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.586 -48.387 37.339 1.00 0.00 H new ATOM 1087 N GLU A 68 -0.425 -51.996 38.898 1.00 0.00 N ATOM 1088 CA GLU A 68 0.864 -52.287 38.240 1.00 0.00 C ATOM 1089 C GLU A 68 1.014 -53.766 37.855 1.00 0.00 C ATOM 1090 O GLU A 68 1.595 -54.094 36.819 1.00 0.00 O ATOM 1091 CB GLU A 68 2.036 -51.855 39.121 1.00 0.00 C ATOM 1092 CG GLU A 68 2.084 -52.542 40.470 1.00 0.00 C ATOM 1093 CD GLU A 68 3.306 -52.165 41.280 1.00 0.00 C ATOM 1094 OE1 GLU A 68 4.416 -52.632 40.943 1.00 0.00 O ATOM 1095 OE2 GLU A 68 3.164 -51.413 42.270 1.00 0.00 O ATOM 0 H GLU A 68 -0.342 -51.561 39.817 1.00 0.00 H new ATOM 0 HA GLU A 68 0.874 -51.708 37.316 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.967 -52.054 38.591 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.982 -50.777 39.276 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.187 -52.286 41.034 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.071 -53.622 40.323 1.00 0.00 H new ATOM 1102 N ASN A 69 0.476 -54.647 38.668 1.00 0.00 N ATOM 1103 CA ASN A 69 0.588 -56.082 38.420 1.00 0.00 C ATOM 1104 C ASN A 69 -0.233 -56.534 37.202 1.00 0.00 C ATOM 1105 O ASN A 69 0.012 -57.606 36.650 1.00 0.00 O ATOM 1106 CB ASN A 69 0.208 -56.890 39.669 1.00 0.00 C ATOM 1107 CG ASN A 69 -1.126 -56.485 40.245 1.00 0.00 C ATOM 1108 OD1 ASN A 69 -2.172 -57.179 39.864 1.00 0.00 O flip ATOM 1109 ND2 ASN A 69 -1.207 -55.556 41.044 1.00 0.00 N flip ATOM 0 H ASN A 69 -0.046 -54.403 39.510 1.00 0.00 H new ATOM 0 HA ASN A 69 1.634 -56.280 38.187 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.183 -57.950 39.416 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.980 -56.762 40.428 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.369 -55.041 41.314 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.112 -55.299 41.437 1.00 0.00 H new ATOM 1116 N GLU A 70 -1.203 -55.721 36.779 1.00 0.00 N ATOM 1117 CA GLU A 70 -2.017 -56.065 35.605 1.00 0.00 C ATOM 1118 C GLU A 70 -1.960 -54.972 34.535 1.00 0.00 C ATOM 1119 O GLU A 70 -2.551 -55.106 33.458 1.00 0.00 O ATOM 1120 CB GLU A 70 -3.478 -56.324 35.989 1.00 0.00 C ATOM 1121 CG GLU A 70 -3.690 -57.554 36.853 1.00 0.00 C ATOM 1122 CD GLU A 70 -5.157 -57.877 37.064 1.00 0.00 C ATOM 1123 OE1 GLU A 70 -5.798 -58.380 36.110 1.00 0.00 O ATOM 1124 OE2 GLU A 70 -5.663 -57.658 38.178 1.00 0.00 O ATOM 0 H GLU A 70 -1.444 -54.834 37.221 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.592 -56.980 35.193 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.862 -55.452 36.519 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.067 -56.429 35.078 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.198 -58.408 36.388 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.214 -57.399 37.821 1.00 0.00 H new ATOM 1131 N ALA A 71 -1.240 -53.909 34.823 1.00 0.00 N ATOM 1132 CA ALA A 71 -1.150 -52.787 33.911 1.00 0.00 C ATOM 1133 C ALA A 71 0.286 -52.364 33.715 1.00 0.00 C ATOM 1134 O ALA A 71 1.127 -52.592 34.567 1.00 0.00 O ATOM 1135 CB ALA A 71 -1.982 -51.616 34.434 1.00 0.00 C ATOM 0 H ALA A 71 -0.706 -53.797 35.685 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.546 -53.099 32.944 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.907 -50.778 33.741 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.025 -51.921 34.523 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.608 -51.312 35.412 1.00 0.00 H new ATOM 1141 N ASN A 72 0.551 -51.774 32.584 1.00 0.00 N ATOM 1142 CA ASN A 72 1.852 -51.253 32.255 1.00 0.00 C ATOM 1143 C ASN A 72 1.745 -49.752 32.214 1.00 0.00 C ATOM 1144 O ASN A 72 0.719 -49.210 31.799 1.00 0.00 O ATOM 1145 CB ASN A 72 2.311 -51.757 30.886 1.00 0.00 C ATOM 1146 CG ASN A 72 2.483 -53.254 30.824 1.00 0.00 C ATOM 1147 OD1 ASN A 72 2.853 -53.887 31.807 1.00 0.00 O ATOM 1148 ND2 ASN A 72 2.220 -53.832 29.672 1.00 0.00 N ATOM 0 H ASN A 72 -0.143 -51.638 31.849 1.00 0.00 H new ATOM 0 HA ASN A 72 2.577 -51.581 33.000 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.585 -51.451 30.133 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.257 -51.279 30.630 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.322 -54.842 29.573 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.914 -53.270 28.877 1.00 0.00 H new ATOM 1155 N ARG A 73 2.763 -49.080 32.636 1.00 0.00 N ATOM 1156 CA ARG A 73 2.723 -47.656 32.692 1.00 0.00 C ATOM 1157 C ARG A 73 3.020 -47.085 31.318 1.00 0.00 C ATOM 1158 O ARG A 73 4.137 -47.227 30.814 1.00 0.00 O ATOM 1159 CB ARG A 73 3.728 -47.137 33.693 1.00 0.00 C ATOM 1160 CG ARG A 73 3.496 -45.704 34.070 1.00 0.00 C ATOM 1161 CD ARG A 73 4.537 -45.207 35.055 1.00 0.00 C ATOM 1162 NE ARG A 73 5.850 -45.053 34.431 1.00 0.00 N ATOM 1163 CZ ARG A 73 7.007 -45.435 34.968 1.00 0.00 C ATOM 1164 NH1 ARG A 73 7.028 -46.123 36.107 1.00 0.00 N ATOM 1165 NH2 ARG A 73 8.139 -45.142 34.353 1.00 0.00 N ATOM 0 H ARG A 73 3.640 -49.497 32.950 1.00 0.00 H new ATOM 0 HA ARG A 73 1.728 -47.344 33.008 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.689 -47.754 34.591 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.731 -47.240 33.279 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.518 -45.084 33.174 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.503 -45.599 34.506 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.218 -44.251 35.469 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.611 -45.906 35.888 1.00 0.00 H new ATOM 0 HE ARG A 73 5.882 -44.617 33.509 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.154 -46.361 36.575 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.918 -46.412 36.512 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.123 -44.627 33.473 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.029 -45.431 34.758 1.00 0.00 H new ATOM 1179 N ASP A 74 2.023 -46.475 30.701 1.00 0.00 N ATOM 1180 CA ASP A 74 2.202 -45.887 29.381 1.00 0.00 C ATOM 1181 C ASP A 74 3.156 -44.721 29.464 1.00 0.00 C ATOM 1182 O ASP A 74 4.044 -44.561 28.623 1.00 0.00 O ATOM 1183 CB ASP A 74 0.861 -45.440 28.802 1.00 0.00 C ATOM 1184 CG ASP A 74 0.988 -44.849 27.411 1.00 0.00 C ATOM 1185 OD1 ASP A 74 0.912 -45.615 26.427 1.00 0.00 O ATOM 1186 OD2 ASP A 74 1.155 -43.620 27.289 1.00 0.00 O ATOM 0 H ASP A 74 1.085 -46.373 31.089 1.00 0.00 H new ATOM 0 HA ASP A 74 2.622 -46.642 28.716 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.183 -46.293 28.769 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.412 -44.701 29.466 1.00 0.00 H new ATOM 1191 N LYS A 75 2.993 -43.926 30.504 1.00 0.00 N ATOM 1192 CA LYS A 75 3.833 -42.774 30.730 1.00 0.00 C ATOM 1193 C LYS A 75 3.675 -42.313 32.169 1.00 0.00 C ATOM 1194 O LYS A 75 2.707 -42.678 32.838 1.00 0.00 O ATOM 1195 CB LYS A 75 3.484 -41.641 29.746 1.00 0.00 C ATOM 1196 CG LYS A 75 4.463 -40.477 29.772 1.00 0.00 C ATOM 1197 CD LYS A 75 4.128 -39.452 28.713 1.00 0.00 C ATOM 1198 CE LYS A 75 5.123 -38.303 28.717 1.00 0.00 C ATOM 1199 NZ LYS A 75 4.865 -37.345 27.622 1.00 0.00 N ATOM 0 H LYS A 75 2.274 -44.064 31.214 1.00 0.00 H new ATOM 0 HA LYS A 75 4.874 -43.049 30.557 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.447 -42.049 28.736 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.486 -41.268 29.976 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.445 -40.006 30.755 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.476 -40.848 29.614 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.124 -39.928 27.732 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.123 -39.065 28.884 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.073 -37.783 29.674 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.134 -38.699 28.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.565 -36.577 27.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.938 -37.835 26.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.910 -36.948 27.726 1.00 0.00 H new ATOM 1213 N GLU A 76 4.629 -41.539 32.642 1.00 0.00 N ATOM 1214 CA GLU A 76 4.610 -41.041 34.001 1.00 0.00 C ATOM 1215 C GLU A 76 3.578 -39.924 34.147 1.00 0.00 C ATOM 1216 O GLU A 76 3.254 -39.238 33.170 1.00 0.00 O ATOM 1217 CB GLU A 76 6.004 -40.534 34.403 1.00 0.00 C ATOM 1218 CG GLU A 76 7.074 -41.619 34.467 1.00 0.00 C ATOM 1219 CD GLU A 76 7.512 -42.113 33.099 1.00 0.00 C ATOM 1220 OE1 GLU A 76 8.349 -41.439 32.456 1.00 0.00 O ATOM 1221 OE2 GLU A 76 7.035 -43.185 32.659 1.00 0.00 O ATOM 0 H GLU A 76 5.437 -41.238 32.097 1.00 0.00 H new ATOM 0 HA GLU A 76 4.331 -41.859 34.665 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.319 -39.771 33.691 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.935 -40.051 35.378 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.942 -41.232 35.001 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.693 -42.461 35.045 1.00 0.00 H new ATOM 1228 N PRO A 77 3.031 -39.736 35.366 1.00 0.00 N ATOM 1229 CA PRO A 77 2.039 -38.690 35.637 1.00 0.00 C ATOM 1230 C PRO A 77 2.576 -37.298 35.311 1.00 0.00 C ATOM 1231 O PRO A 77 3.706 -36.952 35.665 1.00 0.00 O ATOM 1232 CB PRO A 77 1.773 -38.821 37.147 1.00 0.00 C ATOM 1233 CG PRO A 77 2.922 -39.609 37.674 1.00 0.00 C ATOM 1234 CD PRO A 77 3.334 -40.523 36.564 1.00 0.00 C ATOM 0 HA PRO A 77 1.144 -38.809 35.027 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.714 -37.843 37.624 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.827 -39.327 37.339 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.743 -38.955 37.967 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.634 -40.175 38.560 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.392 -40.779 36.623 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.777 -41.460 36.584 1.00 0.00 H new ATOM 1242 N ASN A 78 1.762 -36.510 34.643 1.00 0.00 N ATOM 1243 CA ASN A 78 2.151 -35.171 34.240 1.00 0.00 C ATOM 1244 C ASN A 78 1.032 -34.180 34.518 1.00 0.00 C ATOM 1245 O ASN A 78 -0.138 -34.467 34.263 1.00 0.00 O ATOM 1246 CB ASN A 78 2.488 -35.144 32.749 1.00 0.00 C ATOM 1247 CG ASN A 78 3.000 -33.795 32.298 1.00 0.00 C ATOM 1248 OD1 ASN A 78 3.727 -33.119 33.027 1.00 0.00 O ATOM 1249 ND2 ASN A 78 2.590 -33.370 31.121 1.00 0.00 N ATOM 0 H ASN A 78 0.817 -36.775 34.364 1.00 0.00 H new ATOM 0 HA ASN A 78 3.031 -34.887 34.818 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.239 -35.905 32.535 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.599 -35.403 32.174 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.874 -32.450 30.783 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.988 -33.960 30.547 1.00 0.00 H new ATOM 1256 N PHE A 79 1.389 -33.020 35.029 1.00 0.00 N ATOM 1257 CA PHE A 79 0.411 -31.989 35.315 1.00 0.00 C ATOM 1258 C PHE A 79 0.233 -31.071 34.111 1.00 0.00 C ATOM 1259 O PHE A 79 1.103 -30.258 33.795 1.00 0.00 O ATOM 1260 CB PHE A 79 0.825 -31.196 36.568 1.00 0.00 C ATOM 1261 CG PHE A 79 -0.072 -30.024 36.913 1.00 0.00 C ATOM 1262 CD1 PHE A 79 -1.295 -30.223 37.531 1.00 0.00 C ATOM 1263 CD2 PHE A 79 0.335 -28.723 36.653 1.00 0.00 C ATOM 1264 CE1 PHE A 79 -2.097 -29.153 37.876 1.00 0.00 C ATOM 1265 CE2 PHE A 79 -0.468 -27.652 36.992 1.00 0.00 C ATOM 1266 CZ PHE A 79 -1.684 -27.869 37.607 1.00 0.00 C ATOM 0 H PHE A 79 2.351 -32.766 35.255 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.551 -32.461 35.516 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.850 -31.877 37.418 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.841 -30.827 36.426 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.626 -31.228 37.746 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.290 -28.546 36.180 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.049 -29.324 38.357 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.144 -26.645 36.776 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.311 -27.032 37.877 1.00 0.00 H new ATOM 1276 N GLU A 80 -0.893 -31.222 33.444 1.00 0.00 N ATOM 1277 CA GLU A 80 -1.222 -30.410 32.293 1.00 0.00 C ATOM 1278 C GLU A 80 -2.470 -29.610 32.554 1.00 0.00 C ATOM 1279 O GLU A 80 -3.549 -30.168 32.798 1.00 0.00 O ATOM 1280 CB GLU A 80 -1.378 -31.254 31.025 1.00 0.00 C ATOM 1281 CG GLU A 80 -0.065 -31.711 30.431 1.00 0.00 C ATOM 1282 CD GLU A 80 -0.250 -32.509 29.154 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -0.939 -33.549 29.190 1.00 0.00 O ATOM 1284 OE2 GLU A 80 0.300 -32.094 28.108 1.00 0.00 O ATOM 0 H GLU A 80 -1.605 -31.911 33.685 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.391 -29.724 32.127 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.986 -32.129 31.255 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.922 -30.675 30.279 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.559 -30.841 30.225 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.468 -32.319 31.162 1.00 0.00 H new ATOM 1291 N GLY A 81 -2.327 -28.311 32.514 1.00 0.00 N ATOM 1292 CA GLY A 81 -3.431 -27.448 32.779 1.00 0.00 C ATOM 1293 C GLY A 81 -3.715 -27.376 34.257 1.00 0.00 C ATOM 1294 O GLY A 81 -2.951 -26.783 35.010 1.00 0.00 O ATOM 0 H GLY A 81 -1.452 -27.834 32.299 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.217 -26.450 32.397 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.314 -27.809 32.252 1.00 0.00 H new ATOM 1298 N ARG A 82 -4.812 -27.972 34.669 1.00 0.00 N ATOM 1299 CA ARG A 82 -5.176 -28.035 36.074 1.00 0.00 C ATOM 1300 C ARG A 82 -5.361 -29.479 36.515 1.00 0.00 C ATOM 1301 O ARG A 82 -5.820 -29.749 37.627 1.00 0.00 O ATOM 1302 CB ARG A 82 -6.442 -27.235 36.327 1.00 0.00 C ATOM 1303 CG ARG A 82 -6.242 -25.749 36.146 1.00 0.00 C ATOM 1304 CD ARG A 82 -7.532 -24.986 36.314 1.00 0.00 C ATOM 1305 NE ARG A 82 -8.103 -25.131 37.657 1.00 0.00 N ATOM 1306 CZ ARG A 82 -9.176 -24.458 38.083 1.00 0.00 C ATOM 1307 NH1 ARG A 82 -9.759 -23.576 37.282 1.00 0.00 N ATOM 1308 NH2 ARG A 82 -9.655 -24.658 39.312 1.00 0.00 N ATOM 0 H ARG A 82 -5.478 -28.427 34.044 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.367 -27.600 36.660 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.224 -27.577 35.649 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.792 -27.429 37.341 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.510 -25.390 36.870 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.832 -25.555 35.155 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.354 -23.930 36.111 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.255 -25.335 35.576 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.656 -25.782 38.302 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.388 -23.414 36.346 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.578 -23.060 37.602 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.202 -25.328 39.933 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.474 -24.141 39.630 1.00 0.00 H new ATOM 1322 N TYR A 83 -4.994 -30.405 35.639 1.00 0.00 N ATOM 1323 CA TYR A 83 -5.173 -31.825 35.900 1.00 0.00 C ATOM 1324 C TYR A 83 -3.852 -32.576 35.816 1.00 0.00 C ATOM 1325 O TYR A 83 -3.009 -32.284 34.960 1.00 0.00 O ATOM 1326 CB TYR A 83 -6.145 -32.431 34.876 1.00 0.00 C ATOM 1327 CG TYR A 83 -7.538 -31.843 34.904 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -7.815 -30.639 34.269 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -8.576 -32.495 35.553 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -9.079 -30.100 34.283 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -9.845 -31.961 35.573 1.00 0.00 C ATOM 1332 CZ TYR A 83 -10.091 -30.760 34.936 1.00 0.00 C ATOM 1333 OH TYR A 83 -11.358 -30.219 34.950 1.00 0.00 O ATOM 0 H TYR A 83 -4.568 -30.195 34.736 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.574 -31.924 36.909 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.729 -32.298 33.877 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.215 -33.504 35.052 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.022 -30.117 33.755 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.386 -33.435 36.050 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.275 -29.163 33.783 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.644 -32.478 36.084 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.960 -30.808 35.452 1.00 0.00 H new ATOM 1343 N VAL A 84 -3.675 -33.531 36.700 1.00 0.00 N ATOM 1344 CA VAL A 84 -2.521 -34.409 36.639 1.00 0.00 C ATOM 1345 C VAL A 84 -2.950 -35.690 35.935 1.00 0.00 C ATOM 1346 O VAL A 84 -3.816 -36.417 36.418 1.00 0.00 O ATOM 1347 CB VAL A 84 -1.948 -34.719 38.055 1.00 0.00 C ATOM 1348 CG1 VAL A 84 -0.781 -35.674 37.987 1.00 0.00 C ATOM 1349 CG2 VAL A 84 -1.510 -33.444 38.741 1.00 0.00 C ATOM 0 H VAL A 84 -4.314 -33.723 37.472 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.720 -33.918 36.087 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.746 -35.189 38.629 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.409 -35.866 38.993 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.104 -36.612 37.535 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.014 -35.235 37.384 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.113 -33.680 39.728 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.737 -32.958 38.146 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.364 -32.774 38.844 1.00 0.00 H new ATOM 1359 N ASN A 85 -2.364 -35.939 34.788 1.00 0.00 N ATOM 1360 CA ASN A 85 -2.776 -37.045 33.942 1.00 0.00 C ATOM 1361 C ASN A 85 -1.756 -38.166 33.928 1.00 0.00 C ATOM 1362 O ASN A 85 -0.552 -37.928 33.986 1.00 0.00 O ATOM 1363 CB ASN A 85 -2.992 -36.554 32.503 1.00 0.00 C ATOM 1364 CG ASN A 85 -4.128 -35.559 32.357 1.00 0.00 C ATOM 1365 OD1 ASN A 85 -5.274 -35.937 32.167 1.00 0.00 O ATOM 1366 ND2 ASN A 85 -3.808 -34.279 32.424 1.00 0.00 N ATOM 0 H ASN A 85 -1.593 -35.387 34.412 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.706 -37.434 34.356 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.071 -36.094 32.144 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.190 -37.413 31.862 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.530 -33.567 32.316 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.839 -34.003 32.584 1.00 0.00 H new ATOM 1373 N MET A 86 -2.258 -39.385 33.863 1.00 0.00 N ATOM 1374 CA MET A 86 -1.425 -40.568 33.728 1.00 0.00 C ATOM 1375 C MET A 86 -2.138 -41.596 32.863 1.00 0.00 C ATOM 1376 O MET A 86 -3.339 -41.835 33.031 1.00 0.00 O ATOM 1377 CB MET A 86 -1.083 -41.176 35.095 1.00 0.00 C ATOM 1378 CG MET A 86 -0.144 -42.382 35.019 1.00 0.00 C ATOM 1379 SD MET A 86 0.271 -43.065 36.640 1.00 0.00 S ATOM 1380 CE MET A 86 -1.317 -43.710 37.159 1.00 0.00 C ATOM 0 H MET A 86 -3.258 -39.584 33.902 1.00 0.00 H new ATOM 0 HA MET A 86 -0.489 -40.273 33.254 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.624 -40.409 35.718 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.007 -41.477 35.589 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.610 -43.159 34.413 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.774 -42.088 34.510 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.209 -44.211 38.121 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.029 -42.890 37.254 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.680 -44.422 36.418 1.00 0.00 H new ATOM 1390 N LEU A 87 -1.414 -42.182 31.939 1.00 0.00 N ATOM 1391 CA LEU A 87 -1.965 -43.197 31.068 1.00 0.00 C ATOM 1392 C LEU A 87 -1.397 -44.559 31.397 1.00 0.00 C ATOM 1393 O LEU A 87 -0.190 -44.709 31.623 1.00 0.00 O ATOM 1394 CB LEU A 87 -1.700 -42.853 29.601 1.00 0.00 C ATOM 1395 CG LEU A 87 -2.700 -41.907 28.935 1.00 0.00 C ATOM 1396 CD1 LEU A 87 -2.138 -41.376 27.628 1.00 0.00 C ATOM 1397 CD2 LEU A 87 -4.007 -42.639 28.678 1.00 0.00 C ATOM 0 H LEU A 87 -0.431 -41.971 31.769 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.043 -43.227 31.229 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.708 -42.408 29.528 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.676 -43.782 29.031 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.884 -41.065 29.602 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.862 -40.704 27.167 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.213 -40.834 27.823 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.935 -42.209 26.954 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.716 -41.961 28.203 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.824 -43.490 28.022 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.419 -42.991 29.624 1.00 0.00 H new ATOM 1409 N VAL A 88 -2.264 -45.542 31.449 1.00 0.00 N ATOM 1410 CA VAL A 88 -1.849 -46.908 31.704 1.00 0.00 C ATOM 1411 C VAL A 88 -2.294 -47.816 30.574 1.00 0.00 C ATOM 1412 O VAL A 88 -3.434 -47.734 30.101 1.00 0.00 O ATOM 1413 CB VAL A 88 -2.383 -47.456 33.054 1.00 0.00 C ATOM 1414 CG1 VAL A 88 -1.758 -46.709 34.221 1.00 0.00 C ATOM 1415 CG2 VAL A 88 -3.904 -47.376 33.118 1.00 0.00 C ATOM 0 H VAL A 88 -3.269 -45.424 31.318 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.761 -46.896 31.764 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.099 -48.506 33.125 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.146 -47.108 35.158 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.675 -46.832 34.194 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.004 -45.650 34.149 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.249 -47.767 34.075 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.218 -46.337 33.016 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.334 -47.966 32.309 1.00 0.00 H new ATOM 1425 N THR A 89 -1.396 -48.650 30.120 1.00 0.00 N ATOM 1426 CA THR A 89 -1.695 -49.575 29.069 1.00 0.00 C ATOM 1427 C THR A 89 -1.854 -50.944 29.697 1.00 0.00 C ATOM 1428 O THR A 89 -1.034 -51.343 30.503 1.00 0.00 O ATOM 1429 CB THR A 89 -0.554 -49.637 28.044 1.00 0.00 C ATOM 1430 OG1 THR A 89 -0.093 -48.326 27.732 1.00 0.00 O ATOM 1431 CG2 THR A 89 -1.004 -50.335 26.774 1.00 0.00 C ATOM 0 H THR A 89 -0.440 -48.704 30.470 1.00 0.00 H new ATOM 0 HA THR A 89 -2.601 -49.256 28.554 1.00 0.00 H new ATOM 0 HB THR A 89 0.262 -50.208 28.487 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.635 -48.382 27.078 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.178 -50.366 26.064 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.319 -51.352 27.010 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.839 -49.789 26.335 1.00 0.00 H new ATOM 1439 N PRO A 90 -2.886 -51.672 29.358 1.00 0.00 N ATOM 1440 CA PRO A 90 -3.123 -52.997 29.925 1.00 0.00 C ATOM 1441 C PRO A 90 -2.038 -53.989 29.512 1.00 0.00 C ATOM 1442 O PRO A 90 -1.465 -53.874 28.423 1.00 0.00 O ATOM 1443 CB PRO A 90 -4.473 -53.381 29.324 1.00 0.00 C ATOM 1444 CG PRO A 90 -4.509 -52.633 28.043 1.00 0.00 C ATOM 1445 CD PRO A 90 -3.905 -51.310 28.364 1.00 0.00 C ATOM 0 HA PRO A 90 -3.111 -53.003 31.015 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.549 -54.456 29.163 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.298 -53.098 29.977 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -3.944 -53.149 27.267 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.530 -52.524 27.676 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.467 -50.837 27.485 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.640 -50.613 28.768 1.00 0.00 H new ATOM 1453 N LYS A 91 -1.731 -54.930 30.392 1.00 0.00 N ATOM 1454 CA LYS A 91 -0.759 -55.969 30.085 1.00 0.00 C ATOM 1455 C LYS A 91 -1.357 -56.927 29.048 1.00 0.00 C ATOM 1456 O LYS A 91 -1.939 -57.952 29.403 1.00 0.00 O ATOM 1457 CB LYS A 91 -0.378 -56.746 31.358 1.00 0.00 C ATOM 1458 CG LYS A 91 0.763 -56.134 32.161 1.00 0.00 C ATOM 1459 CD LYS A 91 0.958 -56.872 33.482 1.00 0.00 C ATOM 1460 CE LYS A 91 2.239 -56.458 34.209 1.00 0.00 C ATOM 1461 NZ LYS A 91 2.443 -54.984 34.264 1.00 0.00 N ATOM 0 H LYS A 91 -2.140 -54.996 31.324 1.00 0.00 H new ATOM 0 HA LYS A 91 0.142 -55.507 29.683 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.257 -56.819 31.999 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.102 -57.763 31.078 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.684 -56.173 31.579 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.553 -55.082 32.355 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.101 -56.683 34.129 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.984 -57.945 33.293 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.213 -56.851 35.225 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.094 -56.916 33.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.328 -54.775 34.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.498 -54.605 33.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.646 -54.542 34.764 1.00 0.00 H new