USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 562 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 30 SER OG : rot -98:sc= 0.404 USER MOD Set 1.2: A 31 ASN : amide:sc= -1.11! C(o=-0.71!,f=-8.8!) USER MOD Set 2.1: A 5 LYS NZ :NH3+ 178:sc= 1.19 (180deg=0) USER MOD Set 2.2: A 24 GLN : amide:sc= 1.12 K(o=2.9,f=-11!) USER MOD Set 2.3: A 61 TYR OH : rot 110:sc= 0.548 USER MOD Set 3.1: A 4 SER OG : rot -68:sc= 0.742 USER MOD Set 3.2: A 21 ASN : amide:sc=-0.00443 X(o=0.74,f=0.37) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.0249 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0244) USER MOD Single : A 18 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -90:sc= 0.686 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 100:sc= -4.42! USER MOD Single : A 55 GLN : amide:sc= -2.16! C(o=-2.2!,f=-7.2!) USER MOD Single : A 59 GLN : amide:sc= -0.43 K(o=-0.43,f=-4!) USER MOD Single : A 62 THR OG1 : rot 81:sc= 0.115 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.565 F(o=-1.3,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.376 -8.746 -19.125 1.00 0.00 N ATOM 2 CA MET A 1 8.458 -9.311 -17.746 1.00 0.00 C ATOM 3 C MET A 1 8.380 -8.189 -16.707 1.00 0.00 C ATOM 4 O MET A 1 8.342 -7.022 -17.043 1.00 0.00 O ATOM 5 CB MET A 1 9.820 -10.004 -17.682 1.00 0.00 C ATOM 6 CG MET A 1 9.697 -11.300 -16.878 1.00 0.00 C ATOM 7 SD MET A 1 11.196 -12.290 -17.098 1.00 0.00 S ATOM 8 CE MET A 1 10.379 -13.831 -17.577 1.00 0.00 C ATOM 0 H1 MET A 1 7.758 -9.345 -19.709 1.00 0.00 H new ATOM 0 H2 MET A 1 7.986 -7.783 -19.083 1.00 0.00 H new ATOM 0 H3 MET A 1 9.327 -8.716 -19.545 1.00 0.00 H new ATOM 0 HA MET A 1 7.639 -9.998 -17.534 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.177 -10.221 -18.689 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.554 -9.345 -17.219 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.550 -11.073 -15.822 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.824 -11.864 -17.208 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.130 -14.598 -17.765 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.720 -14.158 -16.773 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.794 -13.667 -18.482 1.00 0.00 H new ATOM 20 N VAL A 2 8.354 -8.532 -15.450 1.00 0.00 N ATOM 21 CA VAL A 2 8.278 -7.484 -14.392 1.00 0.00 C ATOM 22 C VAL A 2 9.312 -7.760 -13.298 1.00 0.00 C ATOM 23 O VAL A 2 9.240 -8.749 -12.595 1.00 0.00 O ATOM 24 CB VAL A 2 6.862 -7.592 -13.829 1.00 0.00 C ATOM 25 CG1 VAL A 2 6.590 -6.407 -12.901 1.00 0.00 C ATOM 26 CG2 VAL A 2 5.855 -7.578 -14.982 1.00 0.00 C ATOM 0 H VAL A 2 8.382 -9.493 -15.108 1.00 0.00 H new ATOM 0 HA VAL A 2 8.487 -6.488 -14.782 1.00 0.00 H new ATOM 0 HB VAL A 2 6.763 -8.522 -13.269 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.580 -6.484 -12.499 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.308 -6.415 -12.081 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.688 -5.477 -13.460 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.844 -7.655 -14.583 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.955 -6.647 -15.541 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.049 -8.422 -15.645 1.00 0.00 H new ATOM 36 N ASP A 3 10.276 -6.894 -13.149 1.00 0.00 N ATOM 37 CA ASP A 3 11.316 -7.109 -12.103 1.00 0.00 C ATOM 38 C ASP A 3 11.036 -6.224 -10.886 1.00 0.00 C ATOM 39 O ASP A 3 11.690 -5.222 -10.671 1.00 0.00 O ATOM 40 CB ASP A 3 12.632 -6.705 -12.769 1.00 0.00 C ATOM 41 CG ASP A 3 13.779 -7.523 -12.171 1.00 0.00 C ATOM 42 OD1 ASP A 3 14.042 -7.364 -10.991 1.00 0.00 O ATOM 43 OD2 ASP A 3 14.372 -8.295 -12.905 1.00 0.00 O ATOM 0 H ASP A 3 10.389 -6.047 -13.706 1.00 0.00 H new ATOM 0 HA ASP A 3 11.337 -8.139 -11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.574 -6.872 -13.845 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.815 -5.641 -12.621 1.00 0.00 H new ATOM 48 N SER A 4 10.071 -6.586 -10.085 1.00 0.00 N ATOM 49 CA SER A 4 9.753 -5.766 -8.880 1.00 0.00 C ATOM 50 C SER A 4 9.186 -6.654 -7.768 1.00 0.00 C ATOM 51 O SER A 4 7.989 -6.764 -7.600 1.00 0.00 O ATOM 52 CB SER A 4 8.701 -4.764 -9.352 1.00 0.00 C ATOM 53 OG SER A 4 7.981 -4.273 -8.227 1.00 0.00 O ATOM 0 H SER A 4 9.489 -7.414 -10.212 1.00 0.00 H new ATOM 0 HA SER A 4 10.635 -5.272 -8.472 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.179 -3.939 -9.881 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.018 -5.240 -10.056 1.00 0.00 H new ATOM 0 HG SER A 4 7.432 -4.992 -7.850 1.00 0.00 H new ATOM 59 N LYS A 5 10.038 -7.286 -7.009 1.00 0.00 N ATOM 60 CA LYS A 5 9.545 -8.164 -5.909 1.00 0.00 C ATOM 61 C LYS A 5 8.586 -9.222 -6.465 1.00 0.00 C ATOM 62 O LYS A 5 8.265 -9.227 -7.637 1.00 0.00 O ATOM 63 CB LYS A 5 8.810 -7.222 -4.954 1.00 0.00 C ATOM 64 CG LYS A 5 9.753 -6.800 -3.823 1.00 0.00 C ATOM 65 CD LYS A 5 10.448 -5.489 -4.196 1.00 0.00 C ATOM 66 CE LYS A 5 11.528 -5.766 -5.244 1.00 0.00 C ATOM 67 NZ LYS A 5 12.792 -5.263 -4.636 1.00 0.00 N ATOM 0 H LYS A 5 11.052 -7.233 -7.102 1.00 0.00 H new ATOM 0 HA LYS A 5 10.354 -8.700 -5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.457 -6.343 -5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.931 -7.718 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.193 -6.675 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.495 -7.579 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.721 -4.777 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.893 -5.036 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.595 -6.830 -5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.309 -5.254 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.586 -5.449 -5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.714 -4.240 -4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.960 -5.749 -3.732 1.00 0.00 H new ATOM 81 N LYS A 6 8.129 -10.119 -5.634 1.00 0.00 N ATOM 82 CA LYS A 6 7.193 -11.176 -6.120 1.00 0.00 C ATOM 83 C LYS A 6 5.759 -10.845 -5.710 1.00 0.00 C ATOM 84 O LYS A 6 5.124 -9.985 -6.288 1.00 0.00 O ATOM 85 CB LYS A 6 7.668 -12.464 -5.446 1.00 0.00 C ATOM 86 CG LYS A 6 6.758 -13.624 -5.860 1.00 0.00 C ATOM 87 CD LYS A 6 7.590 -14.703 -6.557 1.00 0.00 C ATOM 88 CE LYS A 6 6.882 -16.055 -6.431 1.00 0.00 C ATOM 89 NZ LYS A 6 7.881 -16.950 -5.782 1.00 0.00 N ATOM 0 H LYS A 6 8.362 -10.167 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 6 7.194 -11.262 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.698 -12.677 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.654 -12.346 -4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.262 -14.042 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.975 -13.265 -6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.727 -14.449 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.583 -14.757 -6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.976 -15.972 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.584 -16.438 -7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.471 -17.898 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.730 -17.014 -6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.141 -16.564 -4.852 1.00 0.00 H new ATOM 103 N ARG A 7 5.232 -11.526 -4.732 1.00 0.00 N ATOM 104 CA ARG A 7 3.831 -11.246 -4.317 1.00 0.00 C ATOM 105 C ARG A 7 2.898 -11.469 -5.510 1.00 0.00 C ATOM 106 O ARG A 7 3.335 -11.915 -6.552 1.00 0.00 O ATOM 107 CB ARG A 7 3.840 -9.774 -3.902 1.00 0.00 C ATOM 108 CG ARG A 7 3.488 -9.659 -2.419 1.00 0.00 C ATOM 109 CD ARG A 7 4.752 -9.338 -1.620 1.00 0.00 C ATOM 110 NE ARG A 7 5.684 -10.462 -1.908 1.00 0.00 N ATOM 111 CZ ARG A 7 6.834 -10.530 -1.296 1.00 0.00 C ATOM 112 NH1 ARG A 7 7.682 -9.543 -1.387 1.00 0.00 N ATOM 113 NH2 ARG A 7 7.136 -11.587 -0.592 1.00 0.00 N ATOM 0 H ARG A 7 5.707 -12.259 -4.206 1.00 0.00 H new ATOM 0 HA ARG A 7 3.484 -11.891 -3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.822 -9.339 -4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.124 -9.212 -4.501 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.742 -8.878 -2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.048 -10.591 -2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.180 -8.383 -1.924 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.538 -9.266 -0.554 1.00 0.00 H new ATOM 0 HE ARG A 7 5.423 -11.180 -2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.446 -8.717 -1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.581 -9.597 -0.908 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.473 -12.359 -0.521 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.035 -11.641 -0.113 1.00 0.00 H new ATOM 127 N PRO A 8 1.645 -11.139 -5.337 1.00 0.00 N ATOM 128 CA PRO A 8 0.677 -11.301 -6.441 1.00 0.00 C ATOM 129 C PRO A 8 1.007 -10.320 -7.570 1.00 0.00 C ATOM 130 O PRO A 8 0.201 -9.494 -7.949 1.00 0.00 O ATOM 131 CB PRO A 8 -0.670 -10.979 -5.796 1.00 0.00 C ATOM 132 CG PRO A 8 -0.336 -10.133 -4.608 1.00 0.00 C ATOM 133 CD PRO A 8 1.020 -10.588 -4.126 1.00 0.00 C ATOM 0 HA PRO A 8 0.688 -12.295 -6.888 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.323 -10.447 -6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.193 -11.888 -5.499 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.318 -9.077 -4.877 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.085 -10.250 -3.825 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.599 -9.761 -3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.936 -11.339 -3.340 1.00 0.00 H new ATOM 141 N GLY A 9 2.200 -10.406 -8.102 1.00 0.00 N ATOM 142 CA GLY A 9 2.604 -9.484 -9.198 1.00 0.00 C ATOM 143 C GLY A 9 1.593 -9.568 -10.341 1.00 0.00 C ATOM 144 O GLY A 9 1.436 -8.642 -11.113 1.00 0.00 O ATOM 0 H GLY A 9 2.912 -11.080 -7.821 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.660 -8.462 -8.824 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.598 -9.747 -9.559 1.00 0.00 H new ATOM 148 N LYS A 10 0.901 -10.669 -10.458 1.00 0.00 N ATOM 149 CA LYS A 10 -0.105 -10.806 -11.552 1.00 0.00 C ATOM 150 C LYS A 10 -1.233 -9.794 -11.361 1.00 0.00 C ATOM 151 O LYS A 10 -2.071 -9.608 -12.221 1.00 0.00 O ATOM 152 CB LYS A 10 -0.638 -12.233 -11.424 1.00 0.00 C ATOM 153 CG LYS A 10 -1.351 -12.392 -10.081 1.00 0.00 C ATOM 154 CD LYS A 10 -2.268 -13.614 -10.131 1.00 0.00 C ATOM 155 CE LYS A 10 -3.050 -13.720 -8.820 1.00 0.00 C ATOM 156 NZ LYS A 10 -4.282 -12.912 -9.044 1.00 0.00 N ATOM 0 H LYS A 10 0.988 -11.479 -9.844 1.00 0.00 H new ATOM 0 HA LYS A 10 0.326 -10.619 -12.535 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.326 -12.450 -12.241 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.182 -12.947 -11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.620 -12.505 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.932 -11.497 -9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.957 -13.531 -10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.679 -14.517 -10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.294 -14.757 -8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.471 -13.333 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.687 -12.635 -8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.043 -12.059 -9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.976 -13.477 -9.573 1.00 0.00 H new ATOM 170 N ASP A 11 -1.260 -9.140 -10.238 1.00 0.00 N ATOM 171 CA ASP A 11 -2.330 -8.136 -9.981 1.00 0.00 C ATOM 172 C ASP A 11 -2.077 -7.433 -8.647 1.00 0.00 C ATOM 173 O ASP A 11 -2.529 -7.871 -7.608 1.00 0.00 O ATOM 174 CB ASP A 11 -3.625 -8.945 -9.923 1.00 0.00 C ATOM 175 CG ASP A 11 -4.490 -8.612 -11.141 1.00 0.00 C ATOM 176 OD1 ASP A 11 -5.237 -7.650 -11.068 1.00 0.00 O ATOM 177 OD2 ASP A 11 -4.392 -9.326 -12.125 1.00 0.00 O ATOM 0 H ASP A 11 -0.585 -9.256 -9.482 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.368 -7.363 -10.748 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.400 -10.011 -9.904 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.167 -8.718 -9.005 1.00 0.00 H new ATOM 182 N LEU A 12 -1.348 -6.353 -8.667 1.00 0.00 N ATOM 183 CA LEU A 12 -1.054 -5.630 -7.398 1.00 0.00 C ATOM 184 C LEU A 12 -1.259 -4.125 -7.583 1.00 0.00 C ATOM 185 O LEU A 12 -0.639 -3.503 -8.421 1.00 0.00 O ATOM 186 CB LEU A 12 0.416 -5.934 -7.110 1.00 0.00 C ATOM 187 CG LEU A 12 0.529 -6.722 -5.805 1.00 0.00 C ATOM 188 CD1 LEU A 12 1.890 -7.417 -5.745 1.00 0.00 C ATOM 189 CD2 LEU A 12 0.395 -5.763 -4.619 1.00 0.00 C ATOM 0 H LEU A 12 -0.943 -5.939 -9.507 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.709 -5.941 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.847 -6.507 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.982 -5.006 -7.037 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.263 -7.469 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.971 -7.979 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.988 -8.098 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.682 -6.670 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.475 -6.323 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.188 -5.017 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.574 -5.266 -4.661 1.00 0.00 H new ATOM 201 N ASP A 13 -2.120 -3.532 -6.802 1.00 0.00 N ATOM 202 CA ASP A 13 -2.354 -2.066 -6.933 1.00 0.00 C ATOM 203 C ASP A 13 -1.022 -1.320 -6.913 1.00 0.00 C ATOM 204 O ASP A 13 -0.086 -1.718 -6.249 1.00 0.00 O ATOM 205 CB ASP A 13 -3.198 -1.689 -5.716 1.00 0.00 C ATOM 206 CG ASP A 13 -4.671 -1.986 -6.003 1.00 0.00 C ATOM 207 OD1 ASP A 13 -5.250 -1.282 -6.814 1.00 0.00 O ATOM 208 OD2 ASP A 13 -5.195 -2.911 -5.407 1.00 0.00 O ATOM 0 H ASP A 13 -2.670 -3.998 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.851 -1.807 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.867 -2.251 -4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.068 -0.632 -5.484 1.00 0.00 H new ATOM 213 N ARG A 14 -0.925 -0.247 -7.643 1.00 0.00 N ATOM 214 CA ARG A 14 0.351 0.515 -7.673 1.00 0.00 C ATOM 215 C ARG A 14 0.777 0.895 -6.252 1.00 0.00 C ATOM 216 O ARG A 14 1.926 1.202 -6.000 1.00 0.00 O ATOM 217 CB ARG A 14 0.046 1.769 -8.498 1.00 0.00 C ATOM 218 CG ARG A 14 -0.611 1.366 -9.824 1.00 0.00 C ATOM 219 CD ARG A 14 0.083 0.121 -10.390 1.00 0.00 C ATOM 220 NE ARG A 14 -0.704 -0.240 -11.602 1.00 0.00 N ATOM 221 CZ ARG A 14 -1.461 -1.302 -11.596 1.00 0.00 C ATOM 222 NH1 ARG A 14 -2.575 -1.306 -10.917 1.00 0.00 N ATOM 223 NH2 ARG A 14 -1.106 -2.360 -12.273 1.00 0.00 N ATOM 0 H ARG A 14 -1.674 0.135 -8.220 1.00 0.00 H new ATOM 0 HA ARG A 14 1.168 -0.066 -8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.615 2.432 -7.940 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.965 2.323 -8.690 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.671 1.164 -9.669 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.544 2.187 -10.538 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.123 0.329 -10.642 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.087 -0.693 -9.665 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.651 0.344 -12.437 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.854 -0.478 -10.390 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.167 -2.137 -10.913 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.237 -2.356 -12.807 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.698 -3.191 -12.268 1.00 0.00 H new ATOM 237 N ILE A 15 -0.137 0.873 -5.322 1.00 0.00 N ATOM 238 CA ILE A 15 0.219 1.228 -3.918 1.00 0.00 C ATOM 239 C ILE A 15 0.797 0.011 -3.193 1.00 0.00 C ATOM 240 O ILE A 15 1.842 0.083 -2.578 1.00 0.00 O ATOM 241 CB ILE A 15 -1.096 1.662 -3.270 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.914 2.497 -4.266 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.794 2.502 -2.030 1.00 0.00 C ATOM 244 CD1 ILE A 15 -0.985 3.450 -5.025 1.00 0.00 C ATOM 0 H ILE A 15 -1.115 0.625 -5.473 1.00 0.00 H new ATOM 0 HA ILE A 15 0.974 2.013 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.669 0.779 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.430 1.841 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.680 3.064 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.729 2.814 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.216 1.909 -1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.221 3.383 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.568 4.041 -5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.489 4.115 -4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.236 2.873 -5.567 1.00 0.00 H new ATOM 256 N ASP A 16 0.129 -1.106 -3.261 1.00 0.00 N ATOM 257 CA ASP A 16 0.645 -2.323 -2.575 1.00 0.00 C ATOM 258 C ASP A 16 1.944 -2.791 -3.236 1.00 0.00 C ATOM 259 O ASP A 16 2.831 -3.307 -2.584 1.00 0.00 O ATOM 260 CB ASP A 16 -0.453 -3.372 -2.751 1.00 0.00 C ATOM 261 CG ASP A 16 -1.708 -2.930 -1.997 1.00 0.00 C ATOM 262 OD1 ASP A 16 -2.488 -2.187 -2.571 1.00 0.00 O ATOM 263 OD2 ASP A 16 -1.869 -3.342 -0.861 1.00 0.00 O ATOM 0 H ASP A 16 -0.751 -1.229 -3.761 1.00 0.00 H new ATOM 0 HA ASP A 16 0.870 -2.141 -1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.679 -3.503 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.112 -4.337 -2.376 1.00 0.00 H new ATOM 268 N ARG A 17 2.068 -2.611 -4.523 1.00 0.00 N ATOM 269 CA ARG A 17 3.312 -3.041 -5.214 1.00 0.00 C ATOM 270 C ARG A 17 4.443 -2.070 -4.890 1.00 0.00 C ATOM 271 O ARG A 17 5.482 -2.454 -4.390 1.00 0.00 O ATOM 272 CB ARG A 17 2.960 -3.016 -6.713 1.00 0.00 C ATOM 273 CG ARG A 17 3.982 -2.172 -7.482 1.00 0.00 C ATOM 274 CD ARG A 17 3.936 -2.542 -8.966 1.00 0.00 C ATOM 275 NE ARG A 17 3.046 -1.523 -9.588 1.00 0.00 N ATOM 276 CZ ARG A 17 2.139 -1.890 -10.452 1.00 0.00 C ATOM 277 NH1 ARG A 17 1.103 -2.579 -10.057 1.00 0.00 N ATOM 278 NH2 ARG A 17 2.268 -1.569 -11.710 1.00 0.00 N ATOM 0 H ARG A 17 1.362 -2.185 -5.123 1.00 0.00 H new ATOM 0 HA ARG A 17 3.652 -4.029 -4.903 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.946 -4.032 -7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.960 -2.606 -6.852 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.764 -1.112 -7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.983 -2.342 -7.085 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.931 -2.520 -9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.545 -3.549 -9.110 1.00 0.00 H new ATOM 0 HE ARG A 17 3.145 -0.539 -9.339 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.003 -2.830 -9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.394 -2.866 -10.732 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.078 -1.031 -12.019 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.559 -1.856 -12.385 1.00 0.00 H new ATOM 292 N ASN A 18 4.241 -0.816 -5.144 1.00 0.00 N ATOM 293 CA ASN A 18 5.294 0.181 -4.823 1.00 0.00 C ATOM 294 C ASN A 18 5.605 0.115 -3.334 1.00 0.00 C ATOM 295 O ASN A 18 6.716 0.363 -2.908 1.00 0.00 O ATOM 296 CB ASN A 18 4.689 1.537 -5.190 1.00 0.00 C ATOM 297 CG ASN A 18 5.809 2.515 -5.552 1.00 0.00 C ATOM 298 OD1 ASN A 18 6.958 2.133 -5.648 1.00 0.00 O ATOM 299 ND2 ASN A 18 5.520 3.770 -5.759 1.00 0.00 N ATOM 0 H ASN A 18 3.392 -0.434 -5.561 1.00 0.00 H new ATOM 0 HA ASN A 18 6.224 0.003 -5.362 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.003 1.426 -6.030 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.108 1.926 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.259 4.430 -6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.555 4.091 -5.679 1.00 0.00 H new ATOM 306 N ILE A 19 4.636 -0.248 -2.541 1.00 0.00 N ATOM 307 CA ILE A 19 4.878 -0.366 -1.083 1.00 0.00 C ATOM 308 C ILE A 19 5.831 -1.530 -0.822 1.00 0.00 C ATOM 309 O ILE A 19 6.766 -1.421 -0.055 1.00 0.00 O ATOM 310 CB ILE A 19 3.502 -0.642 -0.473 1.00 0.00 C ATOM 311 CG1 ILE A 19 2.765 0.684 -0.265 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.666 -1.348 0.874 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.284 0.409 0.003 1.00 0.00 C ATOM 0 H ILE A 19 3.687 -0.468 -2.843 1.00 0.00 H new ATOM 0 HA ILE A 19 5.332 0.528 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 19 2.929 -1.280 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.202 1.228 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.875 1.315 -1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.684 -1.543 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.192 -2.292 0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.239 -0.714 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.760 1.353 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.852 -0.117 -0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.184 -0.206 0.898 1.00 0.00 H new ATOM 325 N LEU A 20 5.617 -2.643 -1.477 1.00 0.00 N ATOM 326 CA LEU A 20 6.530 -3.798 -1.285 1.00 0.00 C ATOM 327 C LEU A 20 7.913 -3.445 -1.827 1.00 0.00 C ATOM 328 O LEU A 20 8.924 -3.751 -1.227 1.00 0.00 O ATOM 329 CB LEU A 20 5.910 -4.938 -2.094 1.00 0.00 C ATOM 330 CG LEU A 20 4.552 -5.308 -1.498 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.736 -6.085 -2.532 1.00 0.00 C ATOM 332 CD2 LEU A 20 4.760 -6.178 -0.255 1.00 0.00 C ATOM 0 H LEU A 20 4.851 -2.797 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 20 6.649 -4.071 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.792 -4.637 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.571 -5.805 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 20 4.017 -4.399 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.767 -6.349 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.588 -5.467 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.271 -6.994 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.792 -6.442 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.295 -7.087 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.342 -5.625 0.483 1.00 0.00 H new ATOM 344 N ASN A 21 7.965 -2.767 -2.946 1.00 0.00 N ATOM 345 CA ASN A 21 9.282 -2.360 -3.504 1.00 0.00 C ATOM 346 C ASN A 21 9.918 -1.322 -2.585 1.00 0.00 C ATOM 347 O ASN A 21 11.123 -1.252 -2.446 1.00 0.00 O ATOM 348 CB ASN A 21 8.965 -1.749 -4.869 1.00 0.00 C ATOM 349 CG ASN A 21 10.109 -2.049 -5.840 1.00 0.00 C ATOM 350 OD1 ASN A 21 11.255 -2.119 -5.444 1.00 0.00 O ATOM 351 ND2 ASN A 21 9.843 -2.231 -7.105 1.00 0.00 N ATOM 0 H ASN A 21 7.153 -2.480 -3.493 1.00 0.00 H new ATOM 0 HA ASN A 21 9.980 -3.193 -3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.031 -2.157 -5.254 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.827 -0.672 -4.774 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.598 -2.432 -7.761 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.880 -2.172 -7.437 1.00 0.00 H new ATOM 358 N GLU A 22 9.109 -0.531 -1.933 1.00 0.00 N ATOM 359 CA GLU A 22 9.655 0.487 -0.997 1.00 0.00 C ATOM 360 C GLU A 22 10.009 -0.175 0.329 1.00 0.00 C ATOM 361 O GLU A 22 10.989 0.164 0.962 1.00 0.00 O ATOM 362 CB GLU A 22 8.525 1.502 -0.810 1.00 0.00 C ATOM 363 CG GLU A 22 8.421 2.386 -2.055 1.00 0.00 C ATOM 364 CD GLU A 22 9.323 3.609 -1.887 1.00 0.00 C ATOM 365 OE1 GLU A 22 10.233 3.544 -1.078 1.00 0.00 O ATOM 366 OE2 GLU A 22 9.087 4.592 -2.571 1.00 0.00 O ATOM 0 H GLU A 22 8.092 -0.548 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 22 10.562 0.960 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.581 0.984 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.716 2.116 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.715 1.822 -2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.388 2.700 -2.206 1.00 0.00 H new ATOM 373 N LEU A 23 9.232 -1.136 0.745 1.00 0.00 N ATOM 374 CA LEU A 23 9.543 -1.837 2.015 1.00 0.00 C ATOM 375 C LEU A 23 10.806 -2.676 1.839 1.00 0.00 C ATOM 376 O LEU A 23 11.614 -2.801 2.736 1.00 0.00 O ATOM 377 CB LEU A 23 8.334 -2.730 2.284 1.00 0.00 C ATOM 378 CG LEU A 23 7.651 -2.287 3.579 1.00 0.00 C ATOM 379 CD1 LEU A 23 8.689 -2.205 4.703 1.00 0.00 C ATOM 380 CD2 LEU A 23 7.015 -0.912 3.373 1.00 0.00 C ATOM 0 H LEU A 23 8.397 -1.464 0.259 1.00 0.00 H new ATOM 0 HA LEU A 23 9.724 -1.149 2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.633 -2.671 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.648 -3.771 2.363 1.00 0.00 H new ATOM 0 HG LEU A 23 6.880 -3.009 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.202 -1.889 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.144 -3.184 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.460 -1.483 4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.528 -0.595 4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.787 -0.191 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.277 -0.969 2.573 1.00 0.00 H new ATOM 392 N GLN A 24 10.992 -3.231 0.672 1.00 0.00 N ATOM 393 CA GLN A 24 12.216 -4.036 0.420 1.00 0.00 C ATOM 394 C GLN A 24 13.425 -3.106 0.307 1.00 0.00 C ATOM 395 O GLN A 24 14.496 -3.400 0.800 1.00 0.00 O ATOM 396 CB GLN A 24 11.957 -4.748 -0.908 1.00 0.00 C ATOM 397 CG GLN A 24 11.474 -6.175 -0.639 1.00 0.00 C ATOM 398 CD GLN A 24 12.357 -7.166 -1.399 1.00 0.00 C ATOM 399 OE1 GLN A 24 12.727 -6.923 -2.531 1.00 0.00 O ATOM 400 NE2 GLN A 24 12.714 -8.280 -0.821 1.00 0.00 N ATOM 0 H GLN A 24 10.348 -3.160 -0.116 1.00 0.00 H new ATOM 0 HA GLN A 24 12.426 -4.745 1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.210 -4.203 -1.485 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.869 -4.768 -1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.509 -6.386 0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.435 -6.283 -0.952 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.404 -8.484 0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.304 -8.947 -1.319 1.00 0.00 H new ATOM 409 N LYS A 25 13.254 -1.973 -0.324 1.00 0.00 N ATOM 410 CA LYS A 25 14.384 -1.011 -0.450 1.00 0.00 C ATOM 411 C LYS A 25 14.499 -0.186 0.827 1.00 0.00 C ATOM 412 O LYS A 25 15.533 0.381 1.123 1.00 0.00 O ATOM 413 CB LYS A 25 14.014 -0.129 -1.654 1.00 0.00 C ATOM 414 CG LYS A 25 14.050 1.350 -1.255 1.00 0.00 C ATOM 415 CD LYS A 25 13.958 2.221 -2.510 1.00 0.00 C ATOM 416 CE LYS A 25 13.408 3.600 -2.138 1.00 0.00 C ATOM 417 NZ LYS A 25 13.318 4.339 -3.429 1.00 0.00 N ATOM 0 H LYS A 25 12.380 -1.674 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 25 15.347 -1.500 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.709 -0.309 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.020 -0.392 -2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.223 1.576 -0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.971 1.569 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.942 2.322 -2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.310 1.747 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.432 3.520 -1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.066 4.111 -1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.948 5.296 -3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.263 4.405 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.680 3.832 -4.075 1.00 0.00 H new ATOM 431 N ASP A 26 13.451 -0.126 1.592 1.00 0.00 N ATOM 432 CA ASP A 26 13.503 0.647 2.857 1.00 0.00 C ATOM 433 C ASP A 26 12.658 -0.046 3.930 1.00 0.00 C ATOM 434 O ASP A 26 11.789 0.551 4.533 1.00 0.00 O ATOM 435 CB ASP A 26 12.916 2.016 2.511 1.00 0.00 C ATOM 436 CG ASP A 26 13.991 2.879 1.847 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.006 3.116 2.479 1.00 0.00 O ATOM 438 OD2 ASP A 26 13.780 3.288 0.716 1.00 0.00 O ATOM 0 H ASP A 26 12.559 -0.580 1.396 1.00 0.00 H new ATOM 0 HA ASP A 26 14.516 0.729 3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.064 1.899 1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.548 2.505 3.413 1.00 0.00 H new ATOM 443 N GLY A 27 12.903 -1.306 4.162 1.00 0.00 N ATOM 444 CA GLY A 27 12.112 -2.047 5.185 1.00 0.00 C ATOM 445 C GLY A 27 12.021 -1.219 6.469 1.00 0.00 C ATOM 446 O GLY A 27 11.009 -1.211 7.141 1.00 0.00 O ATOM 0 H GLY A 27 13.618 -1.856 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.112 -2.256 4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.581 -3.009 5.394 1.00 0.00 H new ATOM 450 N ARG A 28 13.071 -0.531 6.820 1.00 0.00 N ATOM 451 CA ARG A 28 13.043 0.288 8.067 1.00 0.00 C ATOM 452 C ARG A 28 12.123 1.501 7.889 1.00 0.00 C ATOM 453 O ARG A 28 12.536 2.631 8.050 1.00 0.00 O ATOM 454 CB ARG A 28 14.488 0.739 8.278 1.00 0.00 C ATOM 455 CG ARG A 28 14.908 1.663 7.134 1.00 0.00 C ATOM 456 CD ARG A 28 15.788 0.890 6.150 1.00 0.00 C ATOM 457 NE ARG A 28 17.175 1.351 6.433 1.00 0.00 N ATOM 458 CZ ARG A 28 18.152 1.006 5.639 1.00 0.00 C ATOM 459 NH1 ARG A 28 18.258 1.552 4.460 1.00 0.00 N ATOM 460 NH2 ARG A 28 19.025 0.117 6.027 1.00 0.00 N ATOM 0 H ARG A 28 13.947 -0.499 6.299 1.00 0.00 H new ATOM 0 HA ARG A 28 12.662 -0.275 8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.582 1.258 9.232 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.148 -0.128 8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.027 2.050 6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.452 2.522 7.527 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.692 -0.186 6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.505 1.099 5.118 1.00 0.00 H new ATOM 0 HE ARG A 28 17.362 1.936 7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.577 2.249 4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.022 1.282 3.840 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.944 -0.308 6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.788 -0.153 5.407 1.00 0.00 H new ATOM 474 N ILE A 29 10.878 1.273 7.566 1.00 0.00 N ATOM 475 CA ILE A 29 9.935 2.416 7.386 1.00 0.00 C ATOM 476 C ILE A 29 8.559 2.058 7.942 1.00 0.00 C ATOM 477 O ILE A 29 8.054 0.974 7.728 1.00 0.00 O ATOM 478 CB ILE A 29 9.866 2.643 5.876 1.00 0.00 C ATOM 479 CG1 ILE A 29 8.947 3.831 5.582 1.00 0.00 C ATOM 480 CG2 ILE A 29 9.313 1.388 5.193 1.00 0.00 C ATOM 481 CD1 ILE A 29 8.622 3.872 4.088 1.00 0.00 C ATOM 0 H ILE A 29 10.474 0.348 7.419 1.00 0.00 H new ATOM 0 HA ILE A 29 10.265 3.310 7.914 1.00 0.00 H new ATOM 0 HB ILE A 29 10.865 2.852 5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.028 3.745 6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.429 4.760 5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.264 1.551 4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.967 0.542 5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.314 1.177 5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.967 4.719 3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 29 9.545 3.979 3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.122 2.948 3.799 1.00 0.00 H new ATOM 493 N SER A 30 7.952 2.959 8.661 1.00 0.00 N ATOM 494 CA SER A 30 6.613 2.668 9.242 1.00 0.00 C ATOM 495 C SER A 30 5.515 2.907 8.198 1.00 0.00 C ATOM 496 O SER A 30 5.194 2.039 7.411 1.00 0.00 O ATOM 497 CB SER A 30 6.468 3.645 10.407 1.00 0.00 C ATOM 498 OG SER A 30 5.167 3.521 10.966 1.00 0.00 O ATOM 0 H SER A 30 8.325 3.885 8.872 1.00 0.00 H new ATOM 0 HA SER A 30 6.520 1.631 9.565 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.223 3.439 11.165 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.632 4.666 10.063 1.00 0.00 H new ATOM 0 HG SER A 30 4.588 4.226 10.607 1.00 0.00 H new ATOM 504 N ASN A 31 4.935 4.079 8.186 1.00 0.00 N ATOM 505 CA ASN A 31 3.858 4.367 7.193 1.00 0.00 C ATOM 506 C ASN A 31 3.997 5.789 6.653 1.00 0.00 C ATOM 507 O ASN A 31 3.960 6.010 5.464 1.00 0.00 O ATOM 508 CB ASN A 31 2.549 4.214 7.969 1.00 0.00 C ATOM 509 CG ASN A 31 2.609 5.051 9.247 1.00 0.00 C ATOM 510 OD1 ASN A 31 3.462 4.839 10.087 1.00 0.00 O ATOM 511 ND2 ASN A 31 1.734 6.001 9.432 1.00 0.00 N ATOM 0 H ASN A 31 5.160 4.847 8.819 1.00 0.00 H new ATOM 0 HA ASN A 31 3.904 3.698 6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.709 4.534 7.352 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.382 3.166 8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.766 6.565 10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.018 6.179 8.728 1.00 0.00 H new ATOM 518 N VAL A 32 4.162 6.758 7.514 1.00 0.00 N ATOM 519 CA VAL A 32 4.311 8.158 7.022 1.00 0.00 C ATOM 520 C VAL A 32 5.221 8.174 5.797 1.00 0.00 C ATOM 521 O VAL A 32 4.793 8.473 4.699 1.00 0.00 O ATOM 522 CB VAL A 32 4.948 8.923 8.181 1.00 0.00 C ATOM 523 CG1 VAL A 32 5.277 10.348 7.732 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.972 8.973 9.358 1.00 0.00 C ATOM 0 H VAL A 32 4.200 6.643 8.527 1.00 0.00 H new ATOM 0 HA VAL A 32 3.361 8.603 6.725 1.00 0.00 H new ATOM 0 HB VAL A 32 5.863 8.418 8.489 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.731 10.894 8.559 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.973 10.314 6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.362 10.853 7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.427 9.519 10.185 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.056 9.478 9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.737 7.958 9.679 1.00 0.00 H new ATOM 534 N GLU A 33 6.464 7.812 5.962 1.00 0.00 N ATOM 535 CA GLU A 33 7.376 7.764 4.791 1.00 0.00 C ATOM 536 C GLU A 33 6.865 6.714 3.806 1.00 0.00 C ATOM 537 O GLU A 33 7.140 6.762 2.624 1.00 0.00 O ATOM 538 CB GLU A 33 8.736 7.360 5.360 1.00 0.00 C ATOM 539 CG GLU A 33 9.745 7.229 4.220 1.00 0.00 C ATOM 540 CD GLU A 33 10.549 8.525 4.098 1.00 0.00 C ATOM 541 OE1 GLU A 33 10.711 9.195 5.105 1.00 0.00 O ATOM 542 OE2 GLU A 33 10.988 8.826 3.001 1.00 0.00 O ATOM 0 H GLU A 33 6.883 7.549 6.854 1.00 0.00 H new ATOM 0 HA GLU A 33 7.437 8.713 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.078 8.105 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.652 6.415 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.415 6.390 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.227 7.021 3.284 1.00 0.00 H new ATOM 549 N LEU A 34 6.095 5.775 4.292 1.00 0.00 N ATOM 550 CA LEU A 34 5.525 4.728 3.400 1.00 0.00 C ATOM 551 C LEU A 34 4.311 5.290 2.658 1.00 0.00 C ATOM 552 O LEU A 34 3.832 4.716 1.703 1.00 0.00 O ATOM 553 CB LEU A 34 5.099 3.598 4.339 1.00 0.00 C ATOM 554 CG LEU A 34 5.412 2.247 3.691 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.298 1.139 4.741 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.417 1.981 2.560 1.00 0.00 C ATOM 0 H LEU A 34 5.836 5.690 5.275 1.00 0.00 H new ATOM 0 HA LEU A 34 6.236 4.385 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.622 3.686 5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.033 3.672 4.553 1.00 0.00 H new ATOM 0 HG LEU A 34 6.425 2.263 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.521 0.177 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.006 1.328 5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.285 1.122 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.640 1.019 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.404 1.965 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.497 2.770 1.812 1.00 0.00 H new ATOM 568 N SER A 35 3.798 6.401 3.116 1.00 0.00 N ATOM 569 CA SER A 35 2.603 7.004 2.463 1.00 0.00 C ATOM 570 C SER A 35 3.019 7.938 1.320 1.00 0.00 C ATOM 571 O SER A 35 2.451 7.916 0.250 1.00 0.00 O ATOM 572 CB SER A 35 1.920 7.795 3.570 1.00 0.00 C ATOM 573 OG SER A 35 2.555 9.059 3.707 1.00 0.00 O ATOM 0 H SER A 35 4.158 6.918 3.918 1.00 0.00 H new ATOM 0 HA SER A 35 1.951 6.249 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.864 7.930 3.337 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.972 7.246 4.510 1.00 0.00 H new ATOM 0 HG SER A 35 3.281 8.991 4.362 1.00 0.00 H new ATOM 579 N LYS A 36 3.993 8.776 1.549 1.00 0.00 N ATOM 580 CA LYS A 36 4.424 9.730 0.482 1.00 0.00 C ATOM 581 C LYS A 36 5.353 9.044 -0.523 1.00 0.00 C ATOM 582 O LYS A 36 5.302 9.307 -1.709 1.00 0.00 O ATOM 583 CB LYS A 36 5.174 10.832 1.228 1.00 0.00 C ATOM 584 CG LYS A 36 6.450 10.255 1.845 1.00 0.00 C ATOM 585 CD LYS A 36 7.045 11.265 2.827 1.00 0.00 C ATOM 586 CE LYS A 36 8.571 11.161 2.805 1.00 0.00 C ATOM 587 NZ LYS A 36 9.054 12.480 3.304 1.00 0.00 N ATOM 0 H LYS A 36 4.509 8.843 2.426 1.00 0.00 H new ATOM 0 HA LYS A 36 3.577 10.112 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.423 11.644 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.540 11.255 2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.227 9.320 2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.173 10.024 1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.735 12.275 2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.671 11.074 3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.920 10.347 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.939 10.961 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.094 12.486 3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.712 13.235 2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.694 12.640 4.266 1.00 0.00 H new ATOM 601 N ARG A 37 6.213 8.185 -0.060 1.00 0.00 N ATOM 602 CA ARG A 37 7.160 7.502 -0.988 1.00 0.00 C ATOM 603 C ARG A 37 6.400 6.757 -2.073 1.00 0.00 C ATOM 604 O ARG A 37 6.950 6.390 -3.093 1.00 0.00 O ATOM 605 CB ARG A 37 7.934 6.522 -0.111 1.00 0.00 C ATOM 606 CG ARG A 37 9.040 7.268 0.632 1.00 0.00 C ATOM 607 CD ARG A 37 10.098 6.269 1.103 1.00 0.00 C ATOM 608 NE ARG A 37 11.334 7.078 1.293 1.00 0.00 N ATOM 609 CZ ARG A 37 12.491 6.485 1.409 1.00 0.00 C ATOM 610 NH1 ARG A 37 12.898 5.663 0.480 1.00 0.00 N ATOM 611 NH2 ARG A 37 13.239 6.710 2.454 1.00 0.00 N ATOM 0 H ARG A 37 6.304 7.924 0.922 1.00 0.00 H new ATOM 0 HA ARG A 37 7.818 8.209 -1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.261 6.045 0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.363 5.730 -0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.493 8.014 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.623 7.803 1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.797 5.784 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.252 5.480 0.367 1.00 0.00 H new ATOM 0 HE ARG A 37 11.276 8.096 1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.312 5.485 -0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.802 5.199 0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.920 7.350 3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.143 6.246 2.544 1.00 0.00 H new ATOM 625 N VAL A 38 5.144 6.535 -1.870 1.00 0.00 N ATOM 626 CA VAL A 38 4.342 5.817 -2.902 1.00 0.00 C ATOM 627 C VAL A 38 3.378 6.786 -3.581 1.00 0.00 C ATOM 628 O VAL A 38 2.844 6.511 -4.638 1.00 0.00 O ATOM 629 CB VAL A 38 3.581 4.728 -2.144 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.505 3.533 -1.907 1.00 0.00 C ATOM 631 CG2 VAL A 38 3.107 5.276 -0.800 1.00 0.00 C ATOM 0 H VAL A 38 4.629 6.816 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 38 4.967 5.390 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 38 2.719 4.413 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.964 2.756 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.844 3.140 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.367 3.850 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.565 4.499 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.968 5.592 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.449 6.129 -0.966 1.00 0.00 H new ATOM 641 N GLY A 39 3.176 7.931 -2.998 1.00 0.00 N ATOM 642 CA GLY A 39 2.276 8.940 -3.623 1.00 0.00 C ATOM 643 C GLY A 39 0.864 8.845 -3.026 1.00 0.00 C ATOM 644 O GLY A 39 -0.119 9.034 -3.712 1.00 0.00 O ATOM 0 H GLY A 39 3.596 8.214 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.677 9.941 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.233 8.780 -4.700 1.00 0.00 H new ATOM 648 N LEU A 40 0.753 8.579 -1.750 1.00 0.00 N ATOM 649 CA LEU A 40 -0.604 8.503 -1.119 1.00 0.00 C ATOM 650 C LEU A 40 -0.541 8.938 0.338 1.00 0.00 C ATOM 651 O LEU A 40 0.501 8.911 0.960 1.00 0.00 O ATOM 652 CB LEU A 40 -1.019 7.032 -1.194 1.00 0.00 C ATOM 653 CG LEU A 40 0.184 6.144 -0.911 1.00 0.00 C ATOM 654 CD1 LEU A 40 -0.199 5.070 0.115 1.00 0.00 C ATOM 655 CD2 LEU A 40 0.633 5.470 -2.207 1.00 0.00 C ATOM 0 H LEU A 40 1.537 8.412 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.311 9.157 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.810 6.830 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.424 6.808 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 40 0.997 6.751 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.664 4.435 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.521 5.549 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.012 4.462 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.495 4.833 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.182 4.864 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.907 6.232 -2.937 1.00 0.00 H new ATOM 667 N SER A 41 -1.657 9.288 0.905 1.00 0.00 N ATOM 668 CA SER A 41 -1.665 9.663 2.339 1.00 0.00 C ATOM 669 C SER A 41 -1.337 8.440 3.163 1.00 0.00 C ATOM 670 O SER A 41 -1.460 7.326 2.694 1.00 0.00 O ATOM 671 CB SER A 41 -3.083 10.136 2.629 1.00 0.00 C ATOM 672 OG SER A 41 -3.271 11.436 2.082 1.00 0.00 O ATOM 0 H SER A 41 -2.562 9.330 0.437 1.00 0.00 H new ATOM 0 HA SER A 41 -0.935 10.437 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.805 9.441 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.259 10.153 3.705 1.00 0.00 H new ATOM 0 HG SER A 41 -4.184 11.740 2.267 1.00 0.00 H new ATOM 678 N PRO A 42 -0.906 8.675 4.352 1.00 0.00 N ATOM 679 CA PRO A 42 -0.532 7.567 5.225 1.00 0.00 C ATOM 680 C PRO A 42 -1.774 6.839 5.728 1.00 0.00 C ATOM 681 O PRO A 42 -1.840 5.627 5.707 1.00 0.00 O ATOM 682 CB PRO A 42 0.219 8.239 6.362 1.00 0.00 C ATOM 683 CG PRO A 42 -0.298 9.645 6.393 1.00 0.00 C ATOM 684 CD PRO A 42 -0.734 9.982 4.989 1.00 0.00 C ATOM 0 HA PRO A 42 0.071 6.810 4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.037 7.731 7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.295 8.218 6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.132 9.734 7.089 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.476 10.334 6.733 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.662 10.554 4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.013 10.584 4.472 1.00 0.00 H new ATOM 692 N THR A 43 -2.770 7.564 6.161 1.00 0.00 N ATOM 693 CA THR A 43 -4.015 6.901 6.644 1.00 0.00 C ATOM 694 C THR A 43 -4.329 5.680 5.765 1.00 0.00 C ATOM 695 O THR A 43 -4.349 4.563 6.242 1.00 0.00 O ATOM 696 CB THR A 43 -5.109 7.972 6.522 1.00 0.00 C ATOM 697 OG1 THR A 43 -5.208 8.682 7.748 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.455 7.314 6.204 1.00 0.00 C ATOM 0 H THR A 43 -2.776 8.583 6.201 1.00 0.00 H new ATOM 0 HA THR A 43 -3.929 6.536 7.668 1.00 0.00 H new ATOM 0 HB THR A 43 -4.850 8.659 5.716 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.904 9.368 7.674 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.224 8.082 6.119 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.381 6.770 5.263 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.719 6.622 7.003 1.00 0.00 H new ATOM 706 N PRO A 44 -4.536 5.935 4.498 1.00 0.00 N ATOM 707 CA PRO A 44 -4.816 4.840 3.544 1.00 0.00 C ATOM 708 C PRO A 44 -3.538 4.055 3.253 1.00 0.00 C ATOM 709 O PRO A 44 -3.564 2.848 3.127 1.00 0.00 O ATOM 710 CB PRO A 44 -5.301 5.563 2.293 1.00 0.00 C ATOM 711 CG PRO A 44 -4.699 6.934 2.381 1.00 0.00 C ATOM 712 CD PRO A 44 -4.537 7.251 3.850 1.00 0.00 C ATOM 0 HA PRO A 44 -5.543 4.120 3.920 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.978 5.047 1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.389 5.611 2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.736 6.966 1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.341 7.669 1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.610 7.791 4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.352 7.876 4.216 1.00 0.00 H new ATOM 720 N CYS A 45 -2.411 4.724 3.162 1.00 0.00 N ATOM 721 CA CYS A 45 -1.140 3.987 2.906 1.00 0.00 C ATOM 722 C CYS A 45 -1.164 2.689 3.684 1.00 0.00 C ATOM 723 O CYS A 45 -0.969 1.618 3.143 1.00 0.00 O ATOM 724 CB CYS A 45 -0.030 4.897 3.426 1.00 0.00 C ATOM 725 SG CYS A 45 1.565 4.061 3.245 1.00 0.00 S ATOM 0 H CYS A 45 -2.321 5.736 3.253 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.995 3.748 1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.026 5.836 2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.207 5.144 4.473 1.00 0.00 H new ATOM 0 HG CYS A 45 2.166 4.500 2.179 1.00 0.00 H new ATOM 731 N LEU A 46 -1.469 2.769 4.942 1.00 0.00 N ATOM 732 CA LEU A 46 -1.583 1.542 5.748 1.00 0.00 C ATOM 733 C LEU A 46 -2.651 0.657 5.134 1.00 0.00 C ATOM 734 O LEU A 46 -2.414 -0.484 4.811 1.00 0.00 O ATOM 735 CB LEU A 46 -2.002 2.025 7.130 1.00 0.00 C ATOM 736 CG LEU A 46 -0.938 2.984 7.657 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.547 4.371 7.858 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.401 2.468 8.989 1.00 0.00 C ATOM 0 H LEU A 46 -1.644 3.639 5.445 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.661 0.962 5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.969 2.525 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.117 1.179 7.807 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.124 3.048 6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.784 5.052 8.234 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.928 4.742 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.364 4.309 8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.359 3.153 9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.217 2.401 9.709 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.039 1.481 8.846 1.00 0.00 H new ATOM 750 N GLU A 47 -3.821 1.192 4.919 1.00 0.00 N ATOM 751 CA GLU A 47 -4.885 0.386 4.273 1.00 0.00 C ATOM 752 C GLU A 47 -4.282 -0.387 3.100 1.00 0.00 C ATOM 753 O GLU A 47 -4.618 -1.528 2.849 1.00 0.00 O ATOM 754 CB GLU A 47 -5.919 1.397 3.781 1.00 0.00 C ATOM 755 CG GLU A 47 -7.110 1.416 4.741 1.00 0.00 C ATOM 756 CD GLU A 47 -8.411 1.269 3.948 1.00 0.00 C ATOM 757 OE1 GLU A 47 -8.564 0.258 3.283 1.00 0.00 O ATOM 758 OE2 GLU A 47 -9.231 2.169 4.021 1.00 0.00 O ATOM 0 H GLU A 47 -4.082 2.148 5.162 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.336 -0.339 4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.472 2.389 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.252 1.134 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.020 0.606 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.120 2.348 5.306 1.00 0.00 H new ATOM 765 N ARG A 48 -3.358 0.225 2.399 1.00 0.00 N ATOM 766 CA ARG A 48 -2.693 -0.474 1.263 1.00 0.00 C ATOM 767 C ARG A 48 -1.734 -1.535 1.810 1.00 0.00 C ATOM 768 O ARG A 48 -1.886 -2.719 1.562 1.00 0.00 O ATOM 769 CB ARG A 48 -1.918 0.620 0.521 1.00 0.00 C ATOM 770 CG ARG A 48 -2.851 1.796 0.221 1.00 0.00 C ATOM 771 CD ARG A 48 -3.476 1.611 -1.163 1.00 0.00 C ATOM 772 NE ARG A 48 -4.919 1.358 -0.901 1.00 0.00 N ATOM 773 CZ ARG A 48 -5.721 1.068 -1.888 1.00 0.00 C ATOM 774 NH1 ARG A 48 -5.257 0.471 -2.953 1.00 0.00 N ATOM 775 NH2 ARG A 48 -6.988 1.372 -1.812 1.00 0.00 N ATOM 0 H ARG A 48 -3.038 1.179 2.567 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.401 -0.980 0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.075 0.956 1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.507 0.223 -0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.632 1.857 0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.296 2.733 0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.336 2.498 -1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.019 0.776 -1.695 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.281 1.411 0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.267 0.231 -3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.884 0.244 -3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.352 1.837 -0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.614 1.145 -2.584 1.00 0.00 H new ATOM 789 N VAL A 49 -0.763 -1.122 2.581 1.00 0.00 N ATOM 790 CA VAL A 49 0.183 -2.103 3.173 1.00 0.00 C ATOM 791 C VAL A 49 -0.602 -3.174 3.931 1.00 0.00 C ATOM 792 O VAL A 49 -0.340 -4.354 3.814 1.00 0.00 O ATOM 793 CB VAL A 49 1.054 -1.282 4.133 1.00 0.00 C ATOM 794 CG1 VAL A 49 1.519 -2.168 5.296 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.276 -0.753 3.385 1.00 0.00 C ATOM 0 H VAL A 49 -0.587 -0.147 2.824 1.00 0.00 H new ATOM 0 HA VAL A 49 0.786 -2.616 2.424 1.00 0.00 H new ATOM 0 HB VAL A 49 0.471 -0.447 4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.137 -1.581 5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.650 -2.549 5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.100 -3.004 4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.895 -0.170 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.855 -1.590 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.951 -0.121 2.559 1.00 0.00 H new ATOM 805 N ARG A 50 -1.575 -2.769 4.697 1.00 0.00 N ATOM 806 CA ARG A 50 -2.392 -3.758 5.447 1.00 0.00 C ATOM 807 C ARG A 50 -2.843 -4.865 4.508 1.00 0.00 C ATOM 808 O ARG A 50 -2.665 -6.037 4.776 1.00 0.00 O ATOM 809 CB ARG A 50 -3.589 -2.965 5.967 1.00 0.00 C ATOM 810 CG ARG A 50 -3.094 -1.824 6.859 1.00 0.00 C ATOM 811 CD ARG A 50 -3.029 -2.304 8.304 1.00 0.00 C ATOM 812 NE ARG A 50 -3.268 -1.083 9.123 1.00 0.00 N ATOM 813 CZ ARG A 50 -4.456 -0.842 9.606 1.00 0.00 C ATOM 814 NH1 ARG A 50 -5.391 -0.364 8.830 1.00 0.00 N ATOM 815 NH2 ARG A 50 -4.711 -1.079 10.864 1.00 0.00 N ATOM 0 H ARG A 50 -1.839 -1.794 4.835 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.841 -4.232 6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.165 -2.565 5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.255 -3.619 6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.110 -1.491 6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.764 -0.968 6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.783 -3.066 8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.060 -2.748 8.530 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.502 -0.435 9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.193 -0.179 7.847 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.320 -0.175 9.207 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.981 -1.453 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.640 -0.890 11.240 1.00 0.00 H new ATOM 829 N ARG A 51 -3.396 -4.502 3.391 1.00 0.00 N ATOM 830 CA ARG A 51 -3.824 -5.532 2.410 1.00 0.00 C ATOM 831 C ARG A 51 -2.664 -6.495 2.160 1.00 0.00 C ATOM 832 O ARG A 51 -2.850 -7.686 2.005 1.00 0.00 O ATOM 833 CB ARG A 51 -4.183 -4.746 1.138 1.00 0.00 C ATOM 834 CG ARG A 51 -3.400 -5.294 -0.062 1.00 0.00 C ATOM 835 CD ARG A 51 -3.914 -6.692 -0.414 1.00 0.00 C ATOM 836 NE ARG A 51 -4.987 -6.461 -1.422 1.00 0.00 N ATOM 837 CZ ARG A 51 -4.797 -6.803 -2.667 1.00 0.00 C ATOM 838 NH1 ARG A 51 -4.861 -8.059 -3.015 1.00 0.00 N ATOM 839 NH2 ARG A 51 -4.545 -5.890 -3.565 1.00 0.00 N ATOM 0 H ARG A 51 -3.571 -3.536 3.113 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.669 -6.129 2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.254 -4.819 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.955 -3.689 1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.512 -4.628 -0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.336 -5.335 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.118 -7.316 -0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.302 -7.204 0.467 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.870 -6.036 -1.139 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.059 -8.773 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.713 -8.327 -3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.496 -4.908 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.397 -6.159 -4.538 1.00 0.00 H new ATOM 853 N LEU A 52 -1.462 -5.984 2.140 1.00 0.00 N ATOM 854 CA LEU A 52 -0.282 -6.867 1.922 1.00 0.00 C ATOM 855 C LEU A 52 -0.014 -7.703 3.176 1.00 0.00 C ATOM 856 O LEU A 52 0.652 -8.717 3.127 1.00 0.00 O ATOM 857 CB LEU A 52 0.881 -5.914 1.655 1.00 0.00 C ATOM 858 CG LEU A 52 0.624 -5.151 0.355 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.598 -3.977 0.251 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.830 -6.092 -0.833 1.00 0.00 C ATOM 0 H LEU A 52 -1.247 -4.995 2.265 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.433 -7.565 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.991 -5.215 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.814 -6.473 1.583 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.399 -4.774 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.415 -3.433 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.453 -3.308 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.621 -4.352 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.647 -5.551 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.853 -6.467 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.136 -6.929 -0.759 1.00 0.00 H new ATOM 872 N GLU A 53 -0.528 -7.285 4.299 1.00 0.00 N ATOM 873 CA GLU A 53 -0.304 -8.057 5.556 1.00 0.00 C ATOM 874 C GLU A 53 -1.168 -9.321 5.567 1.00 0.00 C ATOM 875 O GLU A 53 -0.669 -10.425 5.660 1.00 0.00 O ATOM 876 CB GLU A 53 -0.728 -7.109 6.680 1.00 0.00 C ATOM 877 CG GLU A 53 0.501 -6.684 7.483 1.00 0.00 C ATOM 878 CD GLU A 53 0.119 -6.522 8.956 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.054 -6.659 9.262 1.00 0.00 O ATOM 880 OE2 GLU A 53 1.006 -6.263 9.753 1.00 0.00 O ATOM 0 H GLU A 53 -1.094 -6.442 4.402 1.00 0.00 H new ATOM 0 HA GLU A 53 0.731 -8.382 5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.223 -6.232 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.449 -7.602 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.290 -7.429 7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.896 -5.746 7.094 1.00 0.00 H new ATOM 887 N ARG A 54 -2.461 -9.169 5.476 1.00 0.00 N ATOM 888 CA ARG A 54 -3.356 -10.363 5.486 1.00 0.00 C ATOM 889 C ARG A 54 -2.896 -11.383 4.441 1.00 0.00 C ATOM 890 O ARG A 54 -3.206 -12.555 4.525 1.00 0.00 O ATOM 891 CB ARG A 54 -4.741 -9.821 5.130 1.00 0.00 C ATOM 892 CG ARG A 54 -4.640 -8.945 3.880 1.00 0.00 C ATOM 893 CD ARG A 54 -5.436 -9.587 2.741 1.00 0.00 C ATOM 894 NE ARG A 54 -6.799 -9.798 3.299 1.00 0.00 N ATOM 895 CZ ARG A 54 -7.545 -8.774 3.607 1.00 0.00 C ATOM 896 NH1 ARG A 54 -8.122 -8.079 2.665 1.00 0.00 N ATOM 897 NH2 ARG A 54 -7.714 -8.441 4.858 1.00 0.00 N ATOM 0 H ARG A 54 -2.937 -8.271 5.395 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.350 -10.873 6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.432 -10.646 4.954 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.141 -9.241 5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.026 -7.947 4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.596 -8.828 3.588 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.464 -8.940 1.864 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.987 -10.529 2.427 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.150 -10.745 3.441 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.990 -8.337 1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.705 -7.278 2.907 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.262 -8.982 5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.298 -7.640 5.098 1.00 0.00 H new ATOM 911 N GLN A 55 -2.159 -10.949 3.456 1.00 0.00 N ATOM 912 CA GLN A 55 -1.682 -11.896 2.408 1.00 0.00 C ATOM 913 C GLN A 55 -0.314 -12.467 2.792 1.00 0.00 C ATOM 914 O GLN A 55 0.399 -13.004 1.966 1.00 0.00 O ATOM 915 CB GLN A 55 -1.573 -11.057 1.137 1.00 0.00 C ATOM 916 CG GLN A 55 -2.961 -10.551 0.739 1.00 0.00 C ATOM 917 CD GLN A 55 -3.842 -11.737 0.341 1.00 0.00 C ATOM 918 OE1 GLN A 55 -4.942 -11.884 0.837 1.00 0.00 O ATOM 919 NE2 GLN A 55 -3.403 -12.595 -0.538 1.00 0.00 N ATOM 0 H GLN A 55 -1.866 -9.980 3.331 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.355 -12.744 2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.900 -10.215 1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.146 -11.653 0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.414 -10.010 1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.880 -9.850 -0.092 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.480 -12.472 -0.954 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.983 -13.389 -0.809 1.00 0.00 H new ATOM 928 N GLY A 56 0.060 -12.356 4.036 1.00 0.00 N ATOM 929 CA GLY A 56 1.381 -12.891 4.467 1.00 0.00 C ATOM 930 C GLY A 56 2.478 -12.319 3.568 1.00 0.00 C ATOM 931 O GLY A 56 3.305 -13.039 3.046 1.00 0.00 O ATOM 0 H GLY A 56 -0.492 -11.918 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.572 -12.625 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.381 -13.980 4.411 1.00 0.00 H new ATOM 935 N PHE A 57 2.491 -11.027 3.383 1.00 0.00 N ATOM 936 CA PHE A 57 3.535 -10.409 2.517 1.00 0.00 C ATOM 937 C PHE A 57 4.235 -9.269 3.262 1.00 0.00 C ATOM 938 O PHE A 57 5.013 -8.528 2.695 1.00 0.00 O ATOM 939 CB PHE A 57 2.773 -9.866 1.306 1.00 0.00 C ATOM 940 CG PHE A 57 2.528 -10.985 0.323 1.00 0.00 C ATOM 941 CD1 PHE A 57 3.561 -11.873 0.000 1.00 0.00 C ATOM 942 CD2 PHE A 57 1.267 -11.133 -0.265 1.00 0.00 C ATOM 943 CE1 PHE A 57 3.332 -12.911 -0.911 1.00 0.00 C ATOM 944 CE2 PHE A 57 1.038 -12.171 -1.178 1.00 0.00 C ATOM 945 CZ PHE A 57 2.071 -13.060 -1.500 1.00 0.00 C ATOM 0 H PHE A 57 1.824 -10.373 3.794 1.00 0.00 H new ATOM 0 HA PHE A 57 4.307 -11.122 2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.825 -9.433 1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.344 -9.069 0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.534 -11.757 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.471 -10.448 -0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.128 -13.597 -1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.065 -12.285 -1.633 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.895 -13.861 -2.203 1.00 0.00 H new ATOM 955 N ILE A 58 3.967 -9.126 4.531 1.00 0.00 N ATOM 956 CA ILE A 58 4.620 -8.038 5.312 1.00 0.00 C ATOM 957 C ILE A 58 5.078 -8.566 6.672 1.00 0.00 C ATOM 958 O ILE A 58 5.094 -7.852 7.654 1.00 0.00 O ATOM 959 CB ILE A 58 3.544 -6.966 5.484 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.793 -6.771 4.162 1.00 0.00 C ATOM 961 CG2 ILE A 58 4.205 -5.647 5.883 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.693 -6.034 3.167 1.00 0.00 C ATOM 0 H ILE A 58 3.324 -9.715 5.060 1.00 0.00 H new ATOM 0 HA ILE A 58 5.504 -7.645 4.811 1.00 0.00 H new ATOM 0 HB ILE A 58 2.843 -7.279 6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.497 -7.737 3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.878 -6.203 4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.441 -4.880 6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.742 -5.779 6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.904 -5.340 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.159 -5.895 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.967 -5.061 3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.595 -6.620 2.989 1.00 0.00 H new ATOM 974 N GLN A 59 5.468 -9.810 6.731 1.00 0.00 N ATOM 975 CA GLN A 59 5.946 -10.381 8.023 1.00 0.00 C ATOM 976 C GLN A 59 7.360 -9.883 8.320 1.00 0.00 C ATOM 977 O GLN A 59 7.891 -10.088 9.393 1.00 0.00 O ATOM 978 CB GLN A 59 5.944 -11.895 7.812 1.00 0.00 C ATOM 979 CG GLN A 59 6.913 -12.254 6.683 1.00 0.00 C ATOM 980 CD GLN A 59 7.918 -13.294 7.183 1.00 0.00 C ATOM 981 OE1 GLN A 59 7.888 -13.681 8.335 1.00 0.00 O ATOM 982 NE2 GLN A 59 8.813 -13.768 6.360 1.00 0.00 N ATOM 0 H GLN A 59 5.476 -10.456 5.941 1.00 0.00 H new ATOM 0 HA GLN A 59 5.319 -10.088 8.865 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.237 -12.401 8.732 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.939 -12.237 7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.362 -12.647 5.828 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.437 -11.361 6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.839 -13.444 5.393 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.486 -14.462 6.684 1.00 0.00 H new ATOM 991 N GLY A 60 7.968 -9.227 7.375 1.00 0.00 N ATOM 992 CA GLY A 60 9.345 -8.705 7.589 1.00 0.00 C ATOM 993 C GLY A 60 9.410 -7.251 7.122 1.00 0.00 C ATOM 994 O GLY A 60 10.025 -6.412 7.752 1.00 0.00 O ATOM 0 H GLY A 60 7.569 -9.028 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.613 -8.773 8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.066 -9.309 7.038 1.00 0.00 H new ATOM 998 N TYR A 61 8.771 -6.942 6.026 1.00 0.00 N ATOM 999 CA TYR A 61 8.785 -5.538 5.521 1.00 0.00 C ATOM 1000 C TYR A 61 8.217 -4.595 6.581 1.00 0.00 C ATOM 1001 O TYR A 61 8.761 -4.464 7.658 1.00 0.00 O ATOM 1002 CB TYR A 61 7.894 -5.556 4.279 1.00 0.00 C ATOM 1003 CG TYR A 61 8.432 -6.558 3.282 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.763 -6.992 3.369 1.00 0.00 C ATOM 1005 CD2 TYR A 61 7.601 -7.053 2.271 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.258 -7.919 2.445 1.00 0.00 C ATOM 1007 CE2 TYR A 61 8.097 -7.979 1.347 1.00 0.00 C ATOM 1008 CZ TYR A 61 9.425 -8.413 1.433 1.00 0.00 C ATOM 1009 OH TYR A 61 9.914 -9.326 0.521 1.00 0.00 O ATOM 0 H TYR A 61 8.239 -7.601 5.458 1.00 0.00 H new ATOM 0 HA TYR A 61 9.791 -5.188 5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.872 -5.816 4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.859 -4.564 3.830 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.406 -6.611 4.149 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.576 -6.720 2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.283 -8.254 2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.455 -8.359 0.567 1.00 0.00 H new ATOM 0 HH TYR A 61 9.503 -10.201 0.682 1.00 0.00 H new ATOM 1019 N THR A 62 7.127 -3.938 6.294 1.00 0.00 N ATOM 1020 CA THR A 62 6.548 -3.017 7.302 1.00 0.00 C ATOM 1021 C THR A 62 5.576 -3.766 8.192 1.00 0.00 C ATOM 1022 O THR A 62 4.576 -3.226 8.620 1.00 0.00 O ATOM 1023 CB THR A 62 5.821 -1.941 6.508 1.00 0.00 C ATOM 1024 OG1 THR A 62 5.501 -0.854 7.368 1.00 0.00 O ATOM 1025 CG2 THR A 62 4.535 -2.516 5.911 1.00 0.00 C ATOM 0 H THR A 62 6.619 -4.000 5.412 1.00 0.00 H new ATOM 0 HA THR A 62 7.314 -2.588 7.948 1.00 0.00 H new ATOM 0 HB THR A 62 6.465 -1.592 5.701 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.291 -0.285 7.484 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.019 -1.741 5.344 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.781 -3.347 5.250 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.888 -2.870 6.713 1.00 0.00 H new ATOM 1033 N ALA A 63 5.861 -5.006 8.480 1.00 0.00 N ATOM 1034 CA ALA A 63 4.951 -5.790 9.361 1.00 0.00 C ATOM 1035 C ALA A 63 4.369 -4.861 10.422 1.00 0.00 C ATOM 1036 O ALA A 63 3.232 -4.992 10.832 1.00 0.00 O ATOM 1037 CB ALA A 63 5.838 -6.852 10.005 1.00 0.00 C ATOM 0 H ALA A 63 6.682 -5.509 8.144 1.00 0.00 H new ATOM 0 HA ALA A 63 4.119 -6.241 8.821 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.238 -7.472 10.671 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.281 -7.476 9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.630 -6.367 10.576 1.00 0.00 H new ATOM 1043 N LEU A 64 5.138 -3.888 10.832 1.00 0.00 N ATOM 1044 CA LEU A 64 4.644 -2.902 11.823 1.00 0.00 C ATOM 1045 C LEU A 64 3.618 -1.986 11.160 1.00 0.00 C ATOM 1046 O LEU A 64 2.826 -2.415 10.345 1.00 0.00 O ATOM 1047 CB LEU A 64 5.886 -2.105 12.224 1.00 0.00 C ATOM 1048 CG LEU A 64 6.527 -1.499 10.970 1.00 0.00 C ATOM 1049 CD1 LEU A 64 6.828 -0.019 11.216 1.00 0.00 C ATOM 1050 CD2 LEU A 64 7.830 -2.239 10.657 1.00 0.00 C ATOM 0 H LEU A 64 6.096 -3.737 10.517 1.00 0.00 H new ATOM 0 HA LEU A 64 4.160 -3.368 12.682 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.615 -1.316 12.925 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.599 -2.753 12.734 1.00 0.00 H new ATOM 0 HG LEU A 64 5.842 -1.595 10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.284 0.413 10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.901 0.508 11.441 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.514 0.078 12.058 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.287 -1.810 9.766 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.515 -2.142 11.499 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.617 -3.294 10.483 1.00 0.00 H new ATOM 1062 N LEU A 65 3.638 -0.722 11.478 1.00 0.00 N ATOM 1063 CA LEU A 65 2.680 0.216 10.837 1.00 0.00 C ATOM 1064 C LEU A 65 1.234 -0.286 11.027 1.00 0.00 C ATOM 1065 O LEU A 65 0.308 0.213 10.427 1.00 0.00 O ATOM 1066 CB LEU A 65 3.103 0.222 9.350 1.00 0.00 C ATOM 1067 CG LEU A 65 1.881 0.121 8.432 1.00 0.00 C ATOM 1068 CD1 LEU A 65 2.253 0.630 7.038 1.00 0.00 C ATOM 1069 CD2 LEU A 65 1.434 -1.340 8.336 1.00 0.00 C ATOM 0 H LEU A 65 4.276 -0.300 12.153 1.00 0.00 H new ATOM 0 HA LEU A 65 2.700 1.218 11.265 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.654 1.136 9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.778 -0.612 9.157 1.00 0.00 H new ATOM 0 HG LEU A 65 1.069 0.724 8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.386 0.560 6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.575 1.669 7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.064 0.024 6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.564 -1.412 7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.245 -1.943 7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.173 -1.707 9.329 1.00 0.00 H new ATOM 1081 N ASN A 66 1.036 -1.256 11.879 1.00 0.00 N ATOM 1082 CA ASN A 66 -0.344 -1.770 12.114 1.00 0.00 C ATOM 1083 C ASN A 66 -0.759 -1.532 13.568 1.00 0.00 C ATOM 1084 O ASN A 66 -0.710 -2.476 14.340 1.00 0.00 O ATOM 1085 CB ASN A 66 -0.265 -3.268 11.817 1.00 0.00 C ATOM 1086 CG ASN A 66 -1.620 -3.917 12.102 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -2.616 -3.704 11.286 1.00 0.00 O flip ATOM 1088 ND2 ASN A 66 -1.774 -4.625 13.077 1.00 0.00 N flip ATOM 1089 OXT ASN A 66 -1.120 -0.410 13.886 1.00 0.00 O ATOM 0 H ASN A 66 1.769 -1.714 12.421 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.082 -1.269 11.488 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.015 -3.429 10.776 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.508 -3.731 12.430 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.995 -4.791 13.715 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.682 -5.053 13.258 1.00 0.00 H new TER 1096 ASN A 66