USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 600 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 8 ASN : amide:sc= -4.02! K(o=-8.2!,f=0.15) USER MOD Set 1.2: A 19 GLN : amide:sc= -4.18! K(o=-8.2!,f=0.15) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -15:sc= 0.47 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= -2.18! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -101:sc= -0.0315 (180deg=-1.1!) USER MOD Single : A 29 TYR OH : rot 130:sc= -2.08! USER MOD Single : A 32 SER OG : rot 1:sc= 0.966 USER MOD Single : A 37 GLN : amide:sc= -26.3! C(o=-26!,f=-27!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0803 USER MOD Single : A 43 LYS NZ :NH3+ -113:sc= -0.601 (180deg=-3.11!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.413) USER MOD Single : A 57 CYS SG : rot -96:sc= 0.128! USER MOD Single : A 59 SER OG : rot -100:sc= -6.04! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.3!) USER MOD Single : A 69 LYS NZ :NH3+ 154:sc= -0.369 (180deg=-1.22!) USER MOD Single : A 72 HIS : no HE2:sc= -5.28! C(o=-5.3!,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -16.695 13.145 10.887 1.00 0.00 N ATOM 2 CA GLU A 3 -16.863 12.201 12.028 1.00 0.00 C ATOM 3 C GLU A 3 -15.852 11.059 11.897 1.00 0.00 C ATOM 4 O GLU A 3 -14.914 10.964 12.661 1.00 0.00 O ATOM 5 CB GLU A 3 -18.289 11.644 12.021 1.00 0.00 C ATOM 6 CG GLU A 3 -19.264 12.745 12.447 1.00 0.00 C ATOM 7 CD GLU A 3 -20.690 12.189 12.492 1.00 0.00 C ATOM 8 OE1 GLU A 3 -20.941 11.197 11.826 1.00 0.00 O ATOM 9 OE2 GLU A 3 -21.507 12.769 13.189 1.00 0.00 O ATOM 0 HA GLU A 3 -16.689 12.724 12.968 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -18.545 11.281 11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.363 10.794 12.699 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.984 13.132 13.427 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -19.212 13.580 11.748 1.00 0.00 H new ATOM 16 N LYS A 4 -16.027 10.200 10.926 1.00 0.00 N ATOM 17 CA LYS A 4 -15.074 9.060 10.734 1.00 0.00 C ATOM 18 C LYS A 4 -14.966 8.750 9.238 1.00 0.00 C ATOM 19 O LYS A 4 -15.951 8.487 8.575 1.00 0.00 O ATOM 20 CB LYS A 4 -15.599 7.809 11.472 1.00 0.00 C ATOM 21 CG LYS A 4 -15.083 7.779 12.919 1.00 0.00 C ATOM 22 CD LYS A 4 -15.965 6.847 13.762 1.00 0.00 C ATOM 23 CE LYS A 4 -15.951 5.440 13.159 1.00 0.00 C ATOM 24 NZ LYS A 4 -16.518 4.469 14.141 1.00 0.00 N ATOM 0 H LYS A 4 -16.793 10.238 10.253 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.097 9.331 11.134 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.689 7.809 11.469 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.279 6.909 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.049 7.435 12.940 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.093 8.784 13.340 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.601 6.817 14.789 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.985 7.228 13.796 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.533 5.422 12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.932 5.155 12.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.508 3.514 13.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.945 4.479 15.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.497 4.737 14.369 1.00 0.00 H new ATOM 38 N ARG A 5 -13.773 8.765 8.706 1.00 0.00 N ATOM 39 CA ARG A 5 -13.596 8.457 7.257 1.00 0.00 C ATOM 40 C ARG A 5 -13.414 6.947 7.104 1.00 0.00 C ATOM 41 O ARG A 5 -12.665 6.325 7.831 1.00 0.00 O ATOM 42 CB ARG A 5 -12.357 9.189 6.715 1.00 0.00 C ATOM 43 CG ARG A 5 -12.470 9.343 5.186 1.00 0.00 C ATOM 44 CD ARG A 5 -13.491 10.448 4.815 1.00 0.00 C ATOM 45 NE ARG A 5 -12.796 11.489 4.000 1.00 0.00 N ATOM 46 CZ ARG A 5 -13.481 12.441 3.422 1.00 0.00 C ATOM 47 NH1 ARG A 5 -14.763 12.546 3.636 1.00 0.00 N ATOM 48 NH2 ARG A 5 -12.876 13.300 2.647 1.00 0.00 N ATOM 0 H ARG A 5 -12.913 8.977 9.212 1.00 0.00 H new ATOM 0 HA ARG A 5 -14.469 8.788 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.269 10.169 7.183 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.455 8.632 6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.494 9.589 4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.777 8.396 4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.322 10.021 4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.911 10.893 5.717 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.782 11.457 3.894 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.233 11.885 4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -15.296 13.289 3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.870 13.228 2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.409 14.043 2.195 1.00 0.00 H new ATOM 62 N ARG A 6 -14.098 6.354 6.167 1.00 0.00 N ATOM 63 CA ARG A 6 -13.980 4.880 5.958 1.00 0.00 C ATOM 64 C ARG A 6 -13.998 4.582 4.463 1.00 0.00 C ATOM 65 O ARG A 6 -13.884 5.472 3.642 1.00 0.00 O ATOM 66 CB ARG A 6 -15.149 4.170 6.650 1.00 0.00 C ATOM 67 CG ARG A 6 -14.849 4.061 8.150 1.00 0.00 C ATOM 68 CD ARG A 6 -16.093 3.599 8.917 1.00 0.00 C ATOM 69 NE ARG A 6 -16.218 2.125 8.836 1.00 0.00 N ATOM 70 CZ ARG A 6 -16.994 1.485 9.669 1.00 0.00 C ATOM 71 NH1 ARG A 6 -17.696 2.146 10.550 1.00 0.00 N ATOM 72 NH2 ARG A 6 -17.074 0.183 9.620 1.00 0.00 N ATOM 0 H ARG A 6 -14.739 6.828 5.531 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.044 4.520 6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.074 4.724 6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.294 3.178 6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.033 3.357 8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.518 5.027 8.531 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.024 3.910 9.959 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.983 4.071 8.502 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.697 1.609 8.128 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.639 3.164 10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.302 1.645 11.200 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.530 -0.336 8.931 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.680 -0.316 10.271 1.00 0.00 H new ATOM 86 N ASP A 7 -14.121 3.329 4.105 1.00 0.00 N ATOM 87 CA ASP A 7 -14.126 2.944 2.662 1.00 0.00 C ATOM 88 C ASP A 7 -15.315 2.013 2.375 1.00 0.00 C ATOM 89 O ASP A 7 -16.292 2.002 3.097 1.00 0.00 O ATOM 90 CB ASP A 7 -12.795 2.254 2.344 1.00 0.00 C ATOM 91 CG ASP A 7 -11.696 3.315 2.227 1.00 0.00 C ATOM 92 OD1 ASP A 7 -11.780 4.301 2.941 1.00 0.00 O ATOM 93 OD2 ASP A 7 -10.797 3.131 1.427 1.00 0.00 O ATOM 0 H ASP A 7 -14.219 2.550 4.757 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.235 3.826 2.030 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.545 1.539 3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -12.876 1.692 1.414 1.00 0.00 H new ATOM 98 N ASN A 8 -15.257 1.265 1.307 1.00 0.00 N ATOM 99 CA ASN A 8 -16.397 0.370 0.941 1.00 0.00 C ATOM 100 C ASN A 8 -16.634 -0.710 2.006 1.00 0.00 C ATOM 101 O ASN A 8 -17.751 -1.147 2.205 1.00 0.00 O ATOM 102 CB ASN A 8 -16.081 -0.324 -0.388 1.00 0.00 C ATOM 103 CG ASN A 8 -15.874 0.721 -1.486 1.00 0.00 C ATOM 104 OD1 ASN A 8 -16.731 1.549 -1.725 1.00 0.00 O ATOM 105 ND2 ASN A 8 -14.762 0.713 -2.171 1.00 0.00 N ATOM 0 H ASN A 8 -14.464 1.234 0.666 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.294 0.984 0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.186 -0.937 -0.284 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.896 -0.994 -0.661 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.612 1.402 -2.908 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.044 0.017 -1.969 1.00 0.00 H new ATOM 112 N ARG A 9 -15.600 -1.179 2.658 1.00 0.00 N ATOM 113 CA ARG A 9 -15.779 -2.277 3.668 1.00 0.00 C ATOM 114 C ARG A 9 -15.903 -1.729 5.105 1.00 0.00 C ATOM 115 O ARG A 9 -15.945 -2.490 6.051 1.00 0.00 O ATOM 116 CB ARG A 9 -14.577 -3.241 3.556 1.00 0.00 C ATOM 117 CG ARG A 9 -14.852 -4.321 2.491 1.00 0.00 C ATOM 118 CD ARG A 9 -15.603 -5.501 3.119 1.00 0.00 C ATOM 119 NE ARG A 9 -15.856 -6.539 2.080 1.00 0.00 N ATOM 120 CZ ARG A 9 -16.151 -7.761 2.436 1.00 0.00 C ATOM 121 NH1 ARG A 9 -16.219 -8.074 3.700 1.00 0.00 N ATOM 122 NH2 ARG A 9 -16.373 -8.669 1.525 1.00 0.00 N ATOM 0 H ARG A 9 -14.641 -0.853 2.538 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.710 -2.803 3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.678 -2.683 3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.389 -3.712 4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.440 -3.898 1.676 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.912 -4.666 2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.019 -5.924 3.936 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.547 -5.160 3.545 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.799 -6.295 1.091 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.042 -7.365 4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.449 -9.028 3.977 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.316 -8.424 0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.603 -9.623 1.802 1.00 0.00 H new ATOM 136 N GLY A 10 -16.009 -0.439 5.288 1.00 0.00 N ATOM 137 CA GLY A 10 -16.180 0.093 6.671 1.00 0.00 C ATOM 138 C GLY A 10 -14.858 0.088 7.448 1.00 0.00 C ATOM 139 O GLY A 10 -14.859 0.151 8.660 1.00 0.00 O ATOM 0 H GLY A 10 -15.985 0.262 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.571 1.109 6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -16.917 -0.508 7.203 1.00 0.00 H new ATOM 143 N ARG A 11 -13.736 0.033 6.786 1.00 0.00 N ATOM 144 CA ARG A 11 -12.436 0.051 7.531 1.00 0.00 C ATOM 145 C ARG A 11 -11.939 1.500 7.601 1.00 0.00 C ATOM 146 O ARG A 11 -12.127 2.271 6.680 1.00 0.00 O ATOM 147 CB ARG A 11 -11.387 -0.823 6.819 1.00 0.00 C ATOM 148 CG ARG A 11 -12.037 -2.127 6.304 1.00 0.00 C ATOM 149 CD ARG A 11 -11.153 -2.835 5.260 1.00 0.00 C ATOM 150 NE ARG A 11 -10.510 -1.868 4.297 1.00 0.00 N ATOM 151 CZ ARG A 11 -11.183 -0.937 3.658 1.00 0.00 C ATOM 152 NH1 ARG A 11 -12.471 -0.819 3.793 1.00 0.00 N ATOM 153 NH2 ARG A 11 -10.545 -0.119 2.868 1.00 0.00 N ATOM 0 H ARG A 11 -13.658 -0.023 5.771 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.587 -0.350 8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.950 -0.273 5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.574 -1.060 7.506 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.217 -2.799 7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.008 -1.900 5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.377 -3.404 5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.757 -3.551 4.702 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.506 -1.940 4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.980 -1.457 4.405 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.972 -0.089 3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.535 -0.206 2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.056 0.608 2.366 1.00 0.00 H new ATOM 167 N ILE A 12 -11.306 1.882 8.678 1.00 0.00 N ATOM 168 CA ILE A 12 -10.805 3.283 8.781 1.00 0.00 C ATOM 169 C ILE A 12 -9.426 3.366 8.120 1.00 0.00 C ATOM 170 O ILE A 12 -8.483 2.725 8.539 1.00 0.00 O ATOM 171 CB ILE A 12 -10.711 3.690 10.256 1.00 0.00 C ATOM 172 CG1 ILE A 12 -12.100 3.539 10.895 1.00 0.00 C ATOM 173 CG2 ILE A 12 -10.251 5.151 10.349 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.027 3.844 12.393 1.00 0.00 C ATOM 0 H ILE A 12 -11.115 1.289 9.486 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.491 3.962 8.275 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.994 3.057 10.779 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.806 4.215 10.413 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.472 2.526 10.740 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.183 5.445 11.396 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.273 5.255 9.878 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.970 5.792 9.838 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.017 3.734 12.835 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.336 3.150 12.872 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.676 4.865 12.540 1.00 0.00 H new ATOM 186 N LEU A 13 -9.312 4.141 7.075 1.00 0.00 N ATOM 187 CA LEU A 13 -8.000 4.261 6.359 1.00 0.00 C ATOM 188 C LEU A 13 -7.135 5.320 7.052 1.00 0.00 C ATOM 189 O LEU A 13 -7.631 6.316 7.543 1.00 0.00 O ATOM 190 CB LEU A 13 -8.237 4.705 4.903 1.00 0.00 C ATOM 191 CG LEU A 13 -8.886 3.595 4.037 1.00 0.00 C ATOM 192 CD1 LEU A 13 -7.809 2.646 3.495 1.00 0.00 C ATOM 193 CD2 LEU A 13 -9.924 2.795 4.839 1.00 0.00 C ATOM 0 H LEU A 13 -10.070 4.699 6.682 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.500 3.293 6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.878 5.587 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.286 4.998 4.458 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.396 4.080 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.278 1.871 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.103 3.208 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.279 2.184 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.360 2.025 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.440 2.327 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.710 3.465 5.188 1.00 0.00 H new ATOM 205 N LYS A 14 -5.840 5.116 7.094 1.00 0.00 N ATOM 206 CA LYS A 14 -4.942 6.116 7.753 1.00 0.00 C ATOM 207 C LYS A 14 -4.488 7.169 6.749 1.00 0.00 C ATOM 208 O LYS A 14 -4.958 7.242 5.630 1.00 0.00 O ATOM 209 CB LYS A 14 -3.703 5.424 8.325 1.00 0.00 C ATOM 210 CG LYS A 14 -4.106 4.475 9.463 1.00 0.00 C ATOM 211 CD LYS A 14 -4.316 5.265 10.764 1.00 0.00 C ATOM 212 CE LYS A 14 -4.430 4.289 11.930 1.00 0.00 C ATOM 213 NZ LYS A 14 -4.663 5.047 13.193 1.00 0.00 N ATOM 0 H LYS A 14 -5.367 4.302 6.701 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.504 6.592 8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.193 4.866 7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.999 6.169 8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.022 3.946 9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.333 3.720 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.483 5.949 10.927 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.218 5.873 10.693 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.249 3.592 11.756 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.519 3.696 12.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.741 4.381 13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.867 5.695 13.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.544 5.594 13.112 1.00 0.00 H new ATOM 227 N THR A 15 -3.573 7.990 7.167 1.00 0.00 N ATOM 228 CA THR A 15 -3.050 9.074 6.281 1.00 0.00 C ATOM 229 C THR A 15 -2.498 8.488 4.976 1.00 0.00 C ATOM 230 O THR A 15 -1.885 7.439 4.963 1.00 0.00 O ATOM 231 CB THR A 15 -1.929 9.832 6.999 1.00 0.00 C ATOM 232 OG1 THR A 15 -2.368 10.206 8.298 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.573 11.089 6.201 1.00 0.00 C ATOM 0 H THR A 15 -3.156 7.960 8.097 1.00 0.00 H new ATOM 0 HA THR A 15 -3.871 9.752 6.048 1.00 0.00 H new ATOM 0 HB THR A 15 -1.051 9.192 7.082 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.651 10.690 8.759 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.775 11.630 6.711 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.239 10.804 5.203 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.451 11.729 6.120 1.00 0.00 H new ATOM 241 N GLY A 16 -2.682 9.179 3.883 1.00 0.00 N ATOM 242 CA GLY A 16 -2.136 8.697 2.581 1.00 0.00 C ATOM 243 C GLY A 16 -3.017 7.599 1.975 1.00 0.00 C ATOM 244 O GLY A 16 -3.392 7.668 0.822 1.00 0.00 O ATOM 0 H GLY A 16 -3.190 10.062 3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.063 9.532 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.126 8.315 2.728 1.00 0.00 H new ATOM 248 N GLU A 17 -3.336 6.579 2.721 1.00 0.00 N ATOM 249 CA GLU A 17 -4.172 5.489 2.148 1.00 0.00 C ATOM 250 C GLU A 17 -5.572 6.013 1.830 1.00 0.00 C ATOM 251 O GLU A 17 -6.138 6.796 2.566 1.00 0.00 O ATOM 252 CB GLU A 17 -4.262 4.332 3.144 1.00 0.00 C ATOM 253 CG GLU A 17 -2.931 3.578 3.167 1.00 0.00 C ATOM 254 CD GLU A 17 -2.996 2.452 4.200 1.00 0.00 C ATOM 255 OE1 GLU A 17 -2.982 2.755 5.381 1.00 0.00 O ATOM 256 OE2 GLU A 17 -3.056 1.303 3.791 1.00 0.00 O ATOM 0 H GLU A 17 -3.057 6.453 3.694 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.712 5.134 1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.495 4.711 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.070 3.657 2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.717 3.168 2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.118 4.262 3.411 1.00 0.00 H new ATOM 263 N SER A 18 -6.130 5.588 0.729 1.00 0.00 N ATOM 264 CA SER A 18 -7.490 6.061 0.347 1.00 0.00 C ATOM 265 C SER A 18 -8.101 5.083 -0.656 1.00 0.00 C ATOM 266 O SER A 18 -7.529 4.051 -0.953 1.00 0.00 O ATOM 267 CB SER A 18 -7.379 7.442 -0.298 1.00 0.00 C ATOM 268 OG SER A 18 -6.780 8.348 0.622 1.00 0.00 O ATOM 0 H SER A 18 -5.701 4.932 0.076 1.00 0.00 H new ATOM 0 HA SER A 18 -8.122 6.119 1.233 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.782 7.383 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.367 7.801 -0.587 1.00 0.00 H new ATOM 0 HG SER A 18 -6.796 7.959 1.522 1.00 0.00 H new ATOM 274 N GLN A 19 -9.257 5.401 -1.187 1.00 0.00 N ATOM 275 CA GLN A 19 -9.915 4.497 -2.185 1.00 0.00 C ATOM 276 C GLN A 19 -9.878 5.153 -3.567 1.00 0.00 C ATOM 277 O GLN A 19 -9.953 6.358 -3.702 1.00 0.00 O ATOM 278 CB GLN A 19 -11.380 4.266 -1.793 1.00 0.00 C ATOM 279 CG GLN A 19 -11.990 3.132 -2.660 1.00 0.00 C ATOM 280 CD GLN A 19 -13.465 3.420 -2.947 1.00 0.00 C ATOM 281 OE1 GLN A 19 -13.824 3.772 -4.054 1.00 0.00 O ATOM 282 NE2 GLN A 19 -14.337 3.281 -1.994 1.00 0.00 N ATOM 0 H GLN A 19 -9.776 6.252 -0.971 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.384 3.545 -2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.445 4.003 -0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.950 5.185 -1.928 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.440 3.045 -3.597 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.892 2.177 -2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.035 2.986 -1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.324 3.467 -2.174 1.00 0.00 H new ATOM 291 N ARG A 20 -9.777 4.357 -4.593 1.00 0.00 N ATOM 292 CA ARG A 20 -9.750 4.900 -5.979 1.00 0.00 C ATOM 293 C ARG A 20 -11.186 5.010 -6.497 1.00 0.00 C ATOM 294 O ARG A 20 -12.098 4.416 -5.954 1.00 0.00 O ATOM 295 CB ARG A 20 -8.960 3.940 -6.867 1.00 0.00 C ATOM 296 CG ARG A 20 -8.658 4.593 -8.226 1.00 0.00 C ATOM 297 CD ARG A 20 -7.762 3.671 -9.069 1.00 0.00 C ATOM 298 NE ARG A 20 -6.924 4.494 -10.003 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.460 5.368 -10.814 1.00 0.00 C ATOM 300 NH1 ARG A 20 -8.755 5.442 -10.949 1.00 0.00 N ATOM 301 NH2 ARG A 20 -6.690 6.139 -11.534 1.00 0.00 N ATOM 0 H ARG A 20 -9.711 3.341 -4.530 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.281 5.884 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.028 3.662 -6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.528 3.021 -7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.589 4.793 -8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.165 5.553 -8.075 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.121 3.077 -8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.376 2.972 -9.637 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.912 4.368 -10.005 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.360 4.814 -10.419 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.163 6.128 -11.584 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.676 6.057 -11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.103 6.823 -12.168 1.00 0.00 H new ATOM 315 N LYS A 21 -11.395 5.746 -7.548 1.00 0.00 N ATOM 316 CA LYS A 21 -12.770 5.865 -8.104 1.00 0.00 C ATOM 317 C LYS A 21 -13.201 4.482 -8.582 1.00 0.00 C ATOM 318 O LYS A 21 -14.369 4.207 -8.774 1.00 0.00 O ATOM 319 CB LYS A 21 -12.776 6.832 -9.295 1.00 0.00 C ATOM 320 CG LYS A 21 -12.474 8.261 -8.820 1.00 0.00 C ATOM 321 CD LYS A 21 -11.025 8.357 -8.306 1.00 0.00 C ATOM 322 CE LYS A 21 -10.512 9.795 -8.443 1.00 0.00 C ATOM 323 NZ LYS A 21 -9.077 9.846 -8.042 1.00 0.00 N ATOM 0 H LYS A 21 -10.676 6.270 -8.047 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.450 6.245 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.033 6.521 -10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.746 6.803 -9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.624 8.964 -9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.168 8.543 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.979 8.044 -7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.385 7.679 -8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.627 10.138 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.101 10.465 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.725 10.820 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.981 9.535 -7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.522 9.218 -8.658 1.00 0.00 H new ATOM 337 N ASP A 22 -12.248 3.612 -8.795 1.00 0.00 N ATOM 338 CA ASP A 22 -12.566 2.235 -9.284 1.00 0.00 C ATOM 339 C ASP A 22 -12.771 1.275 -8.106 1.00 0.00 C ATOM 340 O ASP A 22 -13.179 0.146 -8.289 1.00 0.00 O ATOM 341 CB ASP A 22 -11.408 1.737 -10.147 1.00 0.00 C ATOM 342 CG ASP A 22 -11.281 2.630 -11.380 1.00 0.00 C ATOM 343 OD1 ASP A 22 -10.640 3.663 -11.273 1.00 0.00 O ATOM 344 OD2 ASP A 22 -11.835 2.273 -12.406 1.00 0.00 O ATOM 0 H ASP A 22 -11.255 3.797 -8.650 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.486 2.269 -9.867 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.480 1.752 -9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.581 0.704 -10.448 1.00 0.00 H new ATOM 349 N GLY A 23 -12.492 1.705 -6.902 1.00 0.00 N ATOM 350 CA GLY A 23 -12.672 0.809 -5.717 1.00 0.00 C ATOM 351 C GLY A 23 -11.312 0.270 -5.276 1.00 0.00 C ATOM 352 O GLY A 23 -11.069 0.073 -4.101 1.00 0.00 O ATOM 0 H GLY A 23 -12.146 2.640 -6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.140 1.358 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.338 -0.016 -5.969 1.00 0.00 H new ATOM 356 N ARG A 24 -10.412 0.041 -6.197 1.00 0.00 N ATOM 357 CA ARG A 24 -9.073 -0.471 -5.793 1.00 0.00 C ATOM 358 C ARG A 24 -8.422 0.572 -4.881 1.00 0.00 C ATOM 359 O ARG A 24 -8.625 1.759 -5.039 1.00 0.00 O ATOM 360 CB ARG A 24 -8.189 -0.734 -7.034 1.00 0.00 C ATOM 361 CG ARG A 24 -8.678 0.079 -8.228 1.00 0.00 C ATOM 362 CD ARG A 24 -7.638 -0.004 -9.349 1.00 0.00 C ATOM 363 NE ARG A 24 -8.151 0.697 -10.562 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.342 0.964 -11.553 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.085 0.621 -11.481 1.00 0.00 N ATOM 366 NH2 ARG A 24 -7.791 1.564 -12.621 1.00 0.00 N ATOM 0 H ARG A 24 -10.545 0.185 -7.198 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.181 -1.418 -5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.154 -0.475 -6.811 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.206 -1.796 -7.280 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.638 -0.303 -8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.835 1.118 -7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.701 0.449 -9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.423 -1.047 -9.583 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.133 0.968 -10.618 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.733 0.144 -10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.454 0.830 -12.255 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.775 1.826 -12.683 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.158 1.772 -13.393 1.00 0.00 H new ATOM 380 N TYR A 25 -7.660 0.142 -3.915 1.00 0.00 N ATOM 381 CA TYR A 25 -7.027 1.115 -2.985 1.00 0.00 C ATOM 382 C TYR A 25 -5.801 1.759 -3.631 1.00 0.00 C ATOM 383 O TYR A 25 -5.321 1.328 -4.664 1.00 0.00 O ATOM 384 CB TYR A 25 -6.607 0.396 -1.709 1.00 0.00 C ATOM 385 CG TYR A 25 -7.835 -0.129 -1.003 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.748 0.764 -0.427 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.066 -1.507 -0.924 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.886 0.277 0.226 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.206 -1.988 -0.270 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.113 -1.098 0.305 1.00 0.00 C ATOM 391 OH TYR A 25 -11.235 -1.578 0.950 1.00 0.00 O ATOM 0 H TYR A 25 -7.449 -0.839 -3.730 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.750 1.896 -2.752 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.931 -0.426 -1.947 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.062 1.078 -1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.574 1.828 -0.487 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.365 -2.199 -1.367 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.590 0.966 0.669 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.384 -3.052 -0.210 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.240 -2.557 0.912 1.00 0.00 H new ATOM 401 N LEU A 26 -5.300 2.802 -3.020 1.00 0.00 N ATOM 402 CA LEU A 26 -4.112 3.514 -3.572 1.00 0.00 C ATOM 403 C LEU A 26 -3.333 4.174 -2.424 1.00 0.00 C ATOM 404 O LEU A 26 -3.898 4.841 -1.580 1.00 0.00 O ATOM 405 CB LEU A 26 -4.610 4.593 -4.547 1.00 0.00 C ATOM 406 CG LEU A 26 -3.437 5.412 -5.108 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.479 4.496 -5.897 1.00 0.00 C ATOM 408 CD2 LEU A 26 -3.995 6.512 -6.025 1.00 0.00 C ATOM 0 H LEU A 26 -5.669 3.193 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.455 2.814 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.155 4.124 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.309 5.255 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.880 5.865 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.652 5.087 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.090 3.721 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.018 4.032 -6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.172 7.101 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.552 6.056 -6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.658 7.161 -5.453 1.00 0.00 H new ATOM 420 N TYR A 27 -2.034 4.001 -2.398 1.00 0.00 N ATOM 421 CA TYR A 27 -1.189 4.621 -1.327 1.00 0.00 C ATOM 422 C TYR A 27 0.025 5.291 -1.988 1.00 0.00 C ATOM 423 O TYR A 27 0.326 5.039 -3.138 1.00 0.00 O ATOM 424 CB TYR A 27 -0.741 3.539 -0.339 1.00 0.00 C ATOM 425 CG TYR A 27 0.204 4.133 0.682 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.239 5.145 1.542 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.522 3.667 0.770 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.634 5.688 2.492 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.391 4.210 1.720 1.00 0.00 C ATOM 430 CZ TYR A 27 1.949 5.219 2.580 1.00 0.00 C ATOM 431 OH TYR A 27 2.813 5.754 3.512 1.00 0.00 O ATOM 0 H TYR A 27 -1.516 3.450 -3.082 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.758 5.371 -0.778 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.609 3.110 0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.248 2.727 -0.874 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.254 5.507 1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.866 2.889 0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.293 6.468 3.156 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.407 3.849 1.790 1.00 0.00 H new ATOM 0 HH TYR A 27 3.686 5.314 3.439 1.00 0.00 H new ATOM 441 N LYS A 28 0.700 6.173 -1.290 1.00 0.00 N ATOM 442 CA LYS A 28 1.869 6.897 -1.897 1.00 0.00 C ATOM 443 C LYS A 28 3.037 6.982 -0.902 1.00 0.00 C ATOM 444 O LYS A 28 2.860 7.288 0.260 1.00 0.00 O ATOM 445 CB LYS A 28 1.413 8.320 -2.250 1.00 0.00 C ATOM 446 CG LYS A 28 2.533 9.098 -2.963 1.00 0.00 C ATOM 447 CD LYS A 28 2.159 10.587 -3.018 1.00 0.00 C ATOM 448 CE LYS A 28 3.324 11.421 -3.586 1.00 0.00 C ATOM 449 NZ LYS A 28 2.784 12.416 -4.555 1.00 0.00 N ATOM 0 H LYS A 28 0.493 6.425 -0.324 1.00 0.00 H new ATOM 0 HA LYS A 28 2.208 6.358 -2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.532 8.275 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.120 8.847 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.477 8.967 -2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.677 8.710 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.273 10.722 -3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.906 10.941 -2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.851 11.930 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.047 10.771 -4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.939 12.075 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.765 12.542 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.271 13.326 -4.426 1.00 0.00 H new ATOM 463 N TYR A 29 4.241 6.748 -1.372 1.00 0.00 N ATOM 464 CA TYR A 29 5.442 6.855 -0.484 1.00 0.00 C ATOM 465 C TYR A 29 6.653 7.279 -1.326 1.00 0.00 C ATOM 466 O TYR A 29 6.525 7.553 -2.502 1.00 0.00 O ATOM 467 CB TYR A 29 5.711 5.516 0.212 1.00 0.00 C ATOM 468 CG TYR A 29 6.329 4.514 -0.740 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.547 3.914 -1.735 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.684 4.174 -0.616 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.121 2.980 -2.603 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.254 3.236 -1.484 1.00 0.00 C ATOM 473 CZ TYR A 29 7.473 2.642 -2.480 1.00 0.00 C ATOM 474 OH TYR A 29 8.032 1.718 -3.339 1.00 0.00 O ATOM 0 H TYR A 29 4.443 6.486 -2.337 1.00 0.00 H new ATOM 0 HA TYR A 29 5.260 7.604 0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.377 5.672 1.061 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.778 5.116 0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.503 4.172 -1.832 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.288 4.637 0.150 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.519 2.518 -3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.296 2.971 -1.385 1.00 0.00 H new ATOM 0 HH TYR A 29 8.858 2.083 -3.719 1.00 0.00 H new ATOM 484 N ILE A 30 7.826 7.340 -0.735 1.00 0.00 N ATOM 485 CA ILE A 30 9.051 7.753 -1.504 1.00 0.00 C ATOM 486 C ILE A 30 9.961 6.534 -1.700 1.00 0.00 C ATOM 487 O ILE A 30 10.237 5.806 -0.767 1.00 0.00 O ATOM 488 CB ILE A 30 9.810 8.822 -0.720 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.852 9.961 -0.324 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.946 9.374 -1.586 1.00 0.00 C ATOM 491 CD1 ILE A 30 8.195 10.603 -1.561 1.00 0.00 C ATOM 0 H ILE A 30 7.989 7.122 0.248 1.00 0.00 H new ATOM 0 HA ILE A 30 8.753 8.152 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 30 10.226 8.381 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.079 9.573 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.399 10.721 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.490 10.137 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.626 8.565 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.531 9.813 -2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.526 11.403 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.967 11.013 -2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.627 9.848 -2.104 1.00 0.00 H new ATOM 503 N ASP A 31 10.434 6.296 -2.902 1.00 0.00 N ATOM 504 CA ASP A 31 11.322 5.119 -3.133 1.00 0.00 C ATOM 505 C ASP A 31 12.793 5.512 -2.894 1.00 0.00 C ATOM 506 O ASP A 31 13.097 6.647 -2.582 1.00 0.00 O ATOM 507 CB ASP A 31 11.115 4.618 -4.560 1.00 0.00 C ATOM 508 CG ASP A 31 11.364 5.760 -5.535 1.00 0.00 C ATOM 509 OD1 ASP A 31 11.713 6.834 -5.075 1.00 0.00 O ATOM 510 OD2 ASP A 31 11.207 5.537 -6.725 1.00 0.00 O ATOM 0 H ASP A 31 10.243 6.865 -3.727 1.00 0.00 H new ATOM 0 HA ASP A 31 11.072 4.320 -2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.794 3.791 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.101 4.236 -4.680 1.00 0.00 H new ATOM 515 N SER A 32 13.705 4.579 -3.024 1.00 0.00 N ATOM 516 CA SER A 32 15.156 4.888 -2.793 1.00 0.00 C ATOM 517 C SER A 32 15.662 5.916 -3.805 1.00 0.00 C ATOM 518 O SER A 32 16.823 6.276 -3.800 1.00 0.00 O ATOM 519 CB SER A 32 15.991 3.613 -2.945 1.00 0.00 C ATOM 520 OG SER A 32 17.368 3.963 -3.000 1.00 0.00 O ATOM 0 H SER A 32 13.508 3.612 -3.281 1.00 0.00 H new ATOM 0 HA SER A 32 15.255 5.291 -1.785 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.807 2.941 -2.107 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.702 3.080 -3.851 1.00 0.00 H new ATOM 0 HG SER A 32 17.462 4.934 -2.910 1.00 0.00 H new ATOM 526 N PHE A 33 14.816 6.375 -4.687 1.00 0.00 N ATOM 527 CA PHE A 33 15.256 7.356 -5.720 1.00 0.00 C ATOM 528 C PHE A 33 14.779 8.755 -5.316 1.00 0.00 C ATOM 529 O PHE A 33 15.185 9.749 -5.883 1.00 0.00 O ATOM 530 CB PHE A 33 14.648 6.957 -7.070 1.00 0.00 C ATOM 531 CG PHE A 33 14.941 5.491 -7.367 1.00 0.00 C ATOM 532 CD1 PHE A 33 14.317 4.476 -6.621 1.00 0.00 C ATOM 533 CD2 PHE A 33 15.819 5.145 -8.405 1.00 0.00 C ATOM 534 CE1 PHE A 33 14.568 3.131 -6.907 1.00 0.00 C ATOM 535 CE2 PHE A 33 16.072 3.794 -8.688 1.00 0.00 C ATOM 536 CZ PHE A 33 15.445 2.790 -7.941 1.00 0.00 C ATOM 0 H PHE A 33 13.832 6.111 -4.736 1.00 0.00 H new ATOM 0 HA PHE A 33 16.343 7.362 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.571 7.124 -7.056 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.058 7.585 -7.861 1.00 0.00 H new ATOM 0 HD1 PHE A 33 13.639 4.737 -5.822 1.00 0.00 H new ATOM 0 HD2 PHE A 33 16.300 5.918 -8.986 1.00 0.00 H new ATOM 0 HE1 PHE A 33 14.085 2.356 -6.330 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.752 3.528 -9.484 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.639 1.751 -8.164 1.00 0.00 H new ATOM 546 N GLY A 34 13.932 8.841 -4.322 1.00 0.00 N ATOM 547 CA GLY A 34 13.444 10.175 -3.862 1.00 0.00 C ATOM 548 C GLY A 34 12.262 10.614 -4.717 1.00 0.00 C ATOM 549 O GLY A 34 11.572 11.563 -4.403 1.00 0.00 O ATOM 0 H GLY A 34 13.557 8.043 -3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.147 10.123 -2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.247 10.909 -3.930 1.00 0.00 H new ATOM 553 N GLU A 35 12.019 9.931 -5.797 1.00 0.00 N ATOM 554 CA GLU A 35 10.879 10.315 -6.671 1.00 0.00 C ATOM 555 C GLU A 35 9.589 9.757 -6.057 1.00 0.00 C ATOM 556 O GLU A 35 9.613 8.733 -5.402 1.00 0.00 O ATOM 557 CB GLU A 35 11.103 9.708 -8.062 1.00 0.00 C ATOM 558 CG GLU A 35 10.885 8.194 -8.005 1.00 0.00 C ATOM 559 CD GLU A 35 11.477 7.537 -9.253 1.00 0.00 C ATOM 560 OE1 GLU A 35 12.476 8.035 -9.744 1.00 0.00 O ATOM 561 OE2 GLU A 35 10.920 6.545 -9.698 1.00 0.00 O ATOM 0 H GLU A 35 12.559 9.125 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 35 10.803 11.399 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.417 10.157 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.114 9.927 -8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.353 7.784 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.820 7.973 -7.937 1.00 0.00 H new ATOM 568 N PRO A 36 8.469 10.397 -6.266 1.00 0.00 N ATOM 569 CA PRO A 36 7.177 9.909 -5.714 1.00 0.00 C ATOM 570 C PRO A 36 6.671 8.682 -6.475 1.00 0.00 C ATOM 571 O PRO A 36 6.688 8.647 -7.690 1.00 0.00 O ATOM 572 CB PRO A 36 6.232 11.098 -5.913 1.00 0.00 C ATOM 573 CG PRO A 36 6.773 11.803 -7.113 1.00 0.00 C ATOM 574 CD PRO A 36 8.294 11.642 -7.040 1.00 0.00 C ATOM 0 HA PRO A 36 7.259 9.594 -4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.206 10.768 -6.075 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.223 11.750 -5.039 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.378 11.371 -8.032 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.490 12.856 -7.109 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.738 11.564 -8.032 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.765 12.492 -6.546 1.00 0.00 H new ATOM 582 N GLN A 37 6.206 7.680 -5.773 1.00 0.00 N ATOM 583 CA GLN A 37 5.680 6.459 -6.445 1.00 0.00 C ATOM 584 C GLN A 37 4.340 6.110 -5.804 1.00 0.00 C ATOM 585 O GLN A 37 3.999 6.620 -4.754 1.00 0.00 O ATOM 586 CB GLN A 37 6.689 5.296 -6.308 1.00 0.00 C ATOM 587 CG GLN A 37 6.786 4.803 -4.858 1.00 0.00 C ATOM 588 CD GLN A 37 7.643 5.763 -4.033 1.00 0.00 C ATOM 589 OE1 GLN A 37 7.865 5.533 -2.864 1.00 0.00 O ATOM 590 NE2 GLN A 37 8.137 6.833 -4.596 1.00 0.00 N ATOM 0 H GLN A 37 6.169 7.658 -4.754 1.00 0.00 H new ATOM 0 HA GLN A 37 5.538 6.638 -7.511 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.386 4.472 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.671 5.623 -6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.789 4.728 -4.424 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.220 3.803 -4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.949 7.025 -5.580 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.711 7.477 -4.052 1.00 0.00 H new ATOM 599 N PHE A 38 3.577 5.256 -6.421 1.00 0.00 N ATOM 600 CA PHE A 38 2.250 4.879 -5.849 1.00 0.00 C ATOM 601 C PHE A 38 2.055 3.370 -5.978 1.00 0.00 C ATOM 602 O PHE A 38 2.632 2.734 -6.836 1.00 0.00 O ATOM 603 CB PHE A 38 1.146 5.578 -6.641 1.00 0.00 C ATOM 604 CG PHE A 38 1.215 7.077 -6.444 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.207 7.826 -7.090 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.271 7.718 -5.632 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.253 9.217 -6.925 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.320 9.105 -5.465 1.00 0.00 C ATOM 609 CZ PHE A 38 1.309 9.855 -6.111 1.00 0.00 C ATOM 0 H PHE A 38 3.813 4.798 -7.302 1.00 0.00 H new ATOM 0 HA PHE A 38 2.209 5.175 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.245 5.340 -7.700 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.172 5.208 -6.321 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.936 7.332 -7.715 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.495 7.141 -5.135 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.015 9.796 -7.425 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.407 9.598 -4.836 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.344 10.927 -5.982 1.00 0.00 H new ATOM 619 N VAL A 39 1.229 2.798 -5.139 1.00 0.00 N ATOM 620 CA VAL A 39 0.960 1.332 -5.203 1.00 0.00 C ATOM 621 C VAL A 39 -0.552 1.121 -5.304 1.00 0.00 C ATOM 622 O VAL A 39 -1.330 1.915 -4.810 1.00 0.00 O ATOM 623 CB VAL A 39 1.479 0.668 -3.934 1.00 0.00 C ATOM 624 CG1 VAL A 39 3.006 0.627 -3.947 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.002 1.464 -2.730 1.00 0.00 C ATOM 0 H VAL A 39 0.724 3.292 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 39 1.459 0.895 -6.068 1.00 0.00 H new ATOM 0 HB VAL A 39 1.101 -0.353 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.365 0.150 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.347 0.059 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.397 1.643 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.369 0.996 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.383 2.483 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.088 1.484 -2.715 1.00 0.00 H new ATOM 635 N TYR A 40 -0.975 0.061 -5.944 1.00 0.00 N ATOM 636 CA TYR A 40 -2.439 -0.218 -6.096 1.00 0.00 C ATOM 637 C TYR A 40 -2.758 -1.593 -5.517 1.00 0.00 C ATOM 638 O TYR A 40 -1.898 -2.444 -5.408 1.00 0.00 O ATOM 639 CB TYR A 40 -2.798 -0.206 -7.581 1.00 0.00 C ATOM 640 CG TYR A 40 -2.718 1.208 -8.099 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.480 1.761 -8.450 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.884 1.969 -8.222 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.412 3.075 -8.928 1.00 0.00 C ATOM 644 CE2 TYR A 40 -3.818 3.280 -8.699 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.582 3.836 -9.050 1.00 0.00 C ATOM 646 OH TYR A 40 -2.516 5.133 -9.520 1.00 0.00 O ATOM 0 H TYR A 40 -0.363 -0.632 -6.373 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.013 0.543 -5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.116 -0.849 -8.137 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.802 -0.604 -7.728 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.579 1.174 -8.352 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.838 1.542 -7.948 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.459 3.502 -9.202 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.721 3.865 -8.797 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.417 5.519 -9.544 1.00 0.00 H new ATOM 656 N SER A 41 -3.985 -1.817 -5.141 1.00 0.00 N ATOM 657 CA SER A 41 -4.345 -3.141 -4.565 1.00 0.00 C ATOM 658 C SER A 41 -5.860 -3.246 -4.397 1.00 0.00 C ATOM 659 O SER A 41 -6.546 -2.260 -4.214 1.00 0.00 O ATOM 660 CB SER A 41 -3.684 -3.290 -3.199 1.00 0.00 C ATOM 661 OG SER A 41 -4.053 -4.540 -2.632 1.00 0.00 O ATOM 0 H SER A 41 -4.750 -1.145 -5.207 1.00 0.00 H new ATOM 0 HA SER A 41 -4.001 -3.927 -5.237 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.600 -3.228 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.991 -2.475 -2.543 1.00 0.00 H new ATOM 0 HG SER A 41 -3.628 -4.639 -1.754 1.00 0.00 H new ATOM 667 N TRP A 42 -6.386 -4.440 -4.451 1.00 0.00 N ATOM 668 CA TRP A 42 -7.855 -4.630 -4.287 1.00 0.00 C ATOM 669 C TRP A 42 -8.171 -4.978 -2.824 1.00 0.00 C ATOM 670 O TRP A 42 -9.284 -5.335 -2.492 1.00 0.00 O ATOM 671 CB TRP A 42 -8.316 -5.767 -5.204 1.00 0.00 C ATOM 672 CG TRP A 42 -8.393 -5.282 -6.617 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.540 -5.630 -7.603 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.362 -4.372 -7.214 1.00 0.00 C ATOM 675 NE1 TRP A 42 -7.925 -4.996 -8.767 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.039 -4.208 -8.580 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.478 -3.679 -6.711 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -9.796 -3.391 -9.420 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.242 -2.852 -7.553 1.00 0.00 C ATOM 680 CH2 TRP A 42 -10.900 -2.710 -8.905 1.00 0.00 C ATOM 0 H TRP A 42 -5.856 -5.298 -4.603 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.378 -3.711 -4.553 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.623 -6.605 -5.135 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.291 -6.133 -4.882 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.695 -6.295 -7.499 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.442 -5.099 -9.659 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.750 -3.783 -5.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.530 -3.286 -10.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.096 -2.324 -7.156 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -11.491 -2.074 -9.548 1.00 0.00 H new ATOM 691 N LYS A 43 -7.199 -4.871 -1.945 1.00 0.00 N ATOM 692 CA LYS A 43 -7.444 -5.188 -0.494 1.00 0.00 C ATOM 693 C LYS A 43 -6.676 -4.188 0.387 1.00 0.00 C ATOM 694 O LYS A 43 -5.685 -3.614 -0.019 1.00 0.00 O ATOM 695 CB LYS A 43 -6.998 -6.631 -0.163 1.00 0.00 C ATOM 696 CG LYS A 43 -6.134 -7.184 -1.283 1.00 0.00 C ATOM 697 CD LYS A 43 -5.690 -8.594 -0.900 1.00 0.00 C ATOM 698 CE LYS A 43 -5.072 -9.276 -2.109 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.936 -10.735 -1.843 1.00 0.00 N ATOM 0 H LYS A 43 -6.247 -4.578 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.513 -5.106 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.441 -6.641 0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.872 -7.266 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.693 -7.204 -2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.266 -6.544 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.968 -8.551 -0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.542 -9.170 -0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.694 -9.113 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.095 -8.843 -2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.928 -10.985 -1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.402 -10.969 -0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.383 -11.272 -2.614 1.00 0.00 H new ATOM 713 N LEU A 44 -7.128 -3.996 1.601 1.00 0.00 N ATOM 714 CA LEU A 44 -6.440 -3.055 2.540 1.00 0.00 C ATOM 715 C LEU A 44 -5.543 -3.859 3.477 1.00 0.00 C ATOM 716 O LEU A 44 -4.452 -3.444 3.818 1.00 0.00 O ATOM 717 CB LEU A 44 -7.494 -2.296 3.360 1.00 0.00 C ATOM 718 CG LEU A 44 -6.827 -1.418 4.432 1.00 0.00 C ATOM 719 CD1 LEU A 44 -5.971 -0.332 3.768 1.00 0.00 C ATOM 720 CD2 LEU A 44 -7.917 -0.755 5.279 1.00 0.00 C ATOM 0 H LEU A 44 -7.953 -4.456 1.986 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.838 -2.341 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.097 -1.674 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.171 -3.006 3.835 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.188 -2.038 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.504 0.284 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.198 -0.800 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.602 0.293 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.454 -0.130 6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.550 -0.139 4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.524 -1.524 5.758 1.00 0.00 H new ATOM 732 N VAL A 45 -6.005 -5.009 3.900 1.00 0.00 N ATOM 733 CA VAL A 45 -5.206 -5.873 4.831 1.00 0.00 C ATOM 734 C VAL A 45 -4.950 -7.236 4.157 1.00 0.00 C ATOM 735 O VAL A 45 -5.458 -7.518 3.091 1.00 0.00 O ATOM 736 CB VAL A 45 -6.000 -6.074 6.144 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.037 -6.257 7.327 1.00 0.00 C ATOM 738 CG2 VAL A 45 -6.889 -4.850 6.405 1.00 0.00 C ATOM 0 H VAL A 45 -6.913 -5.393 3.638 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.252 -5.398 5.058 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.619 -6.966 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.610 -6.397 8.244 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.410 -7.131 7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.408 -5.372 7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.446 -4.996 7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.266 -3.960 6.493 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.587 -4.724 5.577 1.00 0.00 H new ATOM 748 N ALA A 46 -4.160 -8.073 4.775 1.00 0.00 N ATOM 749 CA ALA A 46 -3.849 -9.413 4.188 1.00 0.00 C ATOM 750 C ALA A 46 -5.010 -10.385 4.427 1.00 0.00 C ATOM 751 O ALA A 46 -5.132 -11.390 3.757 1.00 0.00 O ATOM 752 CB ALA A 46 -2.583 -9.963 4.853 1.00 0.00 C ATOM 0 H ALA A 46 -3.711 -7.885 5.671 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.697 -9.307 3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.346 -10.940 4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.752 -9.280 4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.748 -10.060 5.926 1.00 0.00 H new ATOM 758 N THR A 47 -5.850 -10.110 5.387 1.00 0.00 N ATOM 759 CA THR A 47 -6.982 -11.042 5.674 1.00 0.00 C ATOM 760 C THR A 47 -8.178 -10.714 4.774 1.00 0.00 C ATOM 761 O THR A 47 -9.153 -11.437 4.739 1.00 0.00 O ATOM 762 CB THR A 47 -7.388 -10.886 7.141 1.00 0.00 C ATOM 763 OG1 THR A 47 -7.898 -9.576 7.349 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.166 -11.108 8.034 1.00 0.00 C ATOM 0 H THR A 47 -5.804 -9.284 5.984 1.00 0.00 H new ATOM 0 HA THR A 47 -6.668 -12.067 5.478 1.00 0.00 H new ATOM 0 HB THR A 47 -8.155 -11.620 7.390 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.161 -9.472 8.287 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.454 -10.997 9.079 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.773 -12.112 7.870 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.398 -10.374 7.789 1.00 0.00 H new ATOM 772 N ASP A 48 -8.106 -9.641 4.035 1.00 0.00 N ATOM 773 CA ASP A 48 -9.235 -9.282 3.129 1.00 0.00 C ATOM 774 C ASP A 48 -9.269 -10.257 1.945 1.00 0.00 C ATOM 775 O ASP A 48 -8.333 -10.998 1.719 1.00 0.00 O ATOM 776 CB ASP A 48 -9.029 -7.858 2.612 1.00 0.00 C ATOM 777 CG ASP A 48 -9.218 -6.864 3.761 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.713 -7.273 4.798 1.00 0.00 O ATOM 779 OD2 ASP A 48 -8.865 -5.710 3.582 1.00 0.00 O ATOM 0 H ASP A 48 -7.315 -8.997 4.019 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.177 -9.342 3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.030 -7.755 2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.738 -7.644 1.812 1.00 0.00 H new ATOM 784 N ARG A 49 -10.337 -10.252 1.179 1.00 0.00 N ATOM 785 CA ARG A 49 -10.439 -11.166 -0.012 1.00 0.00 C ATOM 786 C ARG A 49 -10.829 -10.310 -1.229 1.00 0.00 C ATOM 787 O ARG A 49 -11.664 -9.433 -1.136 1.00 0.00 O ATOM 788 CB ARG A 49 -11.509 -12.254 0.269 1.00 0.00 C ATOM 789 CG ARG A 49 -11.072 -13.622 -0.297 1.00 0.00 C ATOM 790 CD ARG A 49 -11.162 -13.614 -1.824 1.00 0.00 C ATOM 791 NE ARG A 49 -12.548 -13.230 -2.252 1.00 0.00 N ATOM 792 CZ ARG A 49 -13.593 -13.932 -1.901 1.00 0.00 C ATOM 793 NH1 ARG A 49 -13.443 -15.084 -1.308 1.00 0.00 N ATOM 794 NH2 ARG A 49 -14.790 -13.503 -2.189 1.00 0.00 N ATOM 0 H ARG A 49 -11.148 -9.651 1.327 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.491 -11.667 -0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.674 -12.337 1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.458 -11.959 -0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.051 -13.843 0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.706 -14.411 0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.437 -12.912 -2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.910 -14.599 -2.217 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.678 -12.401 -2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.507 -15.441 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.262 -15.628 -1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.910 -12.621 -2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.607 -14.049 -1.916 1.00 0.00 H new ATOM 808 N VAL A 50 -10.210 -10.538 -2.356 1.00 0.00 N ATOM 809 CA VAL A 50 -10.521 -9.717 -3.558 1.00 0.00 C ATOM 810 C VAL A 50 -11.843 -10.172 -4.197 1.00 0.00 C ATOM 811 O VAL A 50 -12.182 -11.338 -4.147 1.00 0.00 O ATOM 812 CB VAL A 50 -9.403 -9.892 -4.585 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.064 -9.545 -3.951 1.00 0.00 C ATOM 814 CG2 VAL A 50 -9.366 -11.344 -5.074 1.00 0.00 C ATOM 0 H VAL A 50 -9.502 -11.259 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.608 -8.674 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.592 -9.229 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.270 -9.671 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.081 -8.510 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.881 -10.205 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.567 -11.461 -5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.185 -12.008 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.320 -11.597 -5.536 1.00 0.00 H new ATOM 824 N PRO A 51 -12.578 -9.274 -4.828 1.00 0.00 N ATOM 825 CA PRO A 51 -13.855 -9.643 -5.506 1.00 0.00 C ATOM 826 C PRO A 51 -13.673 -10.868 -6.414 1.00 0.00 C ATOM 827 O PRO A 51 -12.673 -11.006 -7.088 1.00 0.00 O ATOM 828 CB PRO A 51 -14.204 -8.403 -6.350 1.00 0.00 C ATOM 829 CG PRO A 51 -13.501 -7.252 -5.695 1.00 0.00 C ATOM 830 CD PRO A 51 -12.287 -7.829 -4.952 1.00 0.00 C ATOM 0 HA PRO A 51 -14.635 -9.909 -4.792 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.874 -8.527 -7.382 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.281 -8.239 -6.377 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.186 -6.520 -6.438 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.167 -6.737 -5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.364 -7.657 -5.506 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.163 -7.364 -3.974 1.00 0.00 H new ATOM 838 N ALA A 52 -14.632 -11.750 -6.446 1.00 0.00 N ATOM 839 CA ALA A 52 -14.506 -12.949 -7.324 1.00 0.00 C ATOM 840 C ALA A 52 -14.065 -12.514 -8.727 1.00 0.00 C ATOM 841 O ALA A 52 -14.499 -11.500 -9.237 1.00 0.00 O ATOM 842 CB ALA A 52 -15.860 -13.659 -7.415 1.00 0.00 C ATOM 0 H ALA A 52 -15.495 -11.694 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.764 -13.629 -6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.769 -14.535 -8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.176 -13.970 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.601 -12.978 -7.834 1.00 0.00 H new ATOM 848 N GLY A 53 -13.211 -13.279 -9.360 1.00 0.00 N ATOM 849 CA GLY A 53 -12.747 -12.918 -10.735 1.00 0.00 C ATOM 850 C GLY A 53 -11.450 -12.105 -10.664 1.00 0.00 C ATOM 851 O GLY A 53 -10.716 -12.016 -11.628 1.00 0.00 O ATOM 0 H GLY A 53 -12.814 -14.140 -8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.585 -13.823 -11.320 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.518 -12.341 -11.246 1.00 0.00 H new ATOM 855 N LYS A 54 -11.153 -11.509 -9.538 1.00 0.00 N ATOM 856 CA LYS A 54 -9.902 -10.710 -9.425 1.00 0.00 C ATOM 857 C LYS A 54 -8.774 -11.610 -8.912 1.00 0.00 C ATOM 858 O LYS A 54 -8.985 -12.475 -8.085 1.00 0.00 O ATOM 859 CB LYS A 54 -10.133 -9.565 -8.444 1.00 0.00 C ATOM 860 CG LYS A 54 -11.314 -8.706 -8.912 1.00 0.00 C ATOM 861 CD LYS A 54 -11.016 -8.097 -10.294 1.00 0.00 C ATOM 862 CE LYS A 54 -11.826 -6.811 -10.484 1.00 0.00 C ATOM 863 NZ LYS A 54 -13.245 -7.048 -10.095 1.00 0.00 N ATOM 0 H LYS A 54 -11.724 -11.543 -8.694 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.626 -10.306 -10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.333 -9.962 -7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.234 -8.953 -8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.217 -9.314 -8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.504 -7.912 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.951 -7.883 -10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.265 -8.813 -11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.402 -6.010 -9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.773 -6.487 -11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.847 -6.310 -10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.549 -7.980 -10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.330 -7.019 -9.059 1.00 0.00 H new ATOM 877 N ARG A 55 -7.581 -11.416 -9.403 1.00 0.00 N ATOM 878 CA ARG A 55 -6.438 -12.264 -8.952 1.00 0.00 C ATOM 879 C ARG A 55 -5.948 -11.789 -7.583 1.00 0.00 C ATOM 880 O ARG A 55 -6.058 -10.629 -7.238 1.00 0.00 O ATOM 881 CB ARG A 55 -5.292 -12.166 -9.969 1.00 0.00 C ATOM 882 CG ARG A 55 -5.705 -12.811 -11.305 1.00 0.00 C ATOM 883 CD ARG A 55 -5.495 -14.331 -11.254 1.00 0.00 C ATOM 884 NE ARG A 55 -5.732 -14.905 -12.608 1.00 0.00 N ATOM 885 CZ ARG A 55 -5.361 -16.127 -12.877 1.00 0.00 C ATOM 886 NH1 ARG A 55 -4.806 -16.864 -11.952 1.00 0.00 N ATOM 887 NH2 ARG A 55 -5.551 -16.614 -14.072 1.00 0.00 N ATOM 0 H ARG A 55 -7.347 -10.707 -10.098 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.769 -13.300 -8.876 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.027 -11.121 -10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.405 -12.663 -9.576 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.751 -12.589 -11.515 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.119 -12.384 -12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.482 -14.559 -10.922 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.176 -14.780 -10.531 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.186 -14.341 -13.327 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.662 -16.485 -11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.517 -17.819 -12.166 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.988 -16.040 -14.793 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.262 -17.569 -14.286 1.00 0.00 H new ATOM 901 N ASP A 56 -5.405 -12.682 -6.803 1.00 0.00 N ATOM 902 CA ASP A 56 -4.904 -12.294 -5.455 1.00 0.00 C ATOM 903 C ASP A 56 -3.781 -11.264 -5.597 1.00 0.00 C ATOM 904 O ASP A 56 -3.357 -10.937 -6.688 1.00 0.00 O ATOM 905 CB ASP A 56 -4.386 -13.539 -4.728 1.00 0.00 C ATOM 906 CG ASP A 56 -3.267 -14.190 -5.545 1.00 0.00 C ATOM 907 OD1 ASP A 56 -2.467 -13.461 -6.111 1.00 0.00 O ATOM 908 OD2 ASP A 56 -3.229 -15.408 -5.593 1.00 0.00 O ATOM 0 H ASP A 56 -5.286 -13.667 -7.042 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.716 -11.852 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.016 -13.266 -3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.200 -14.249 -4.579 1.00 0.00 H new ATOM 913 N CYS A 57 -3.300 -10.747 -4.499 1.00 0.00 N ATOM 914 CA CYS A 57 -2.214 -9.736 -4.554 1.00 0.00 C ATOM 915 C CYS A 57 -1.737 -9.463 -3.129 1.00 0.00 C ATOM 916 O CYS A 57 -2.171 -10.103 -2.192 1.00 0.00 O ATOM 917 CB CYS A 57 -2.752 -8.441 -5.172 1.00 0.00 C ATOM 918 SG CYS A 57 -1.368 -7.355 -5.595 1.00 0.00 S ATOM 0 H CYS A 57 -3.618 -10.986 -3.560 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.388 -10.104 -5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.337 -8.666 -6.064 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.420 -7.941 -4.471 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.177 -6.501 -4.634 1.00 0.00 H new ATOM 924 N ILE A 58 -0.849 -8.525 -2.952 1.00 0.00 N ATOM 925 CA ILE A 58 -0.351 -8.209 -1.580 1.00 0.00 C ATOM 926 C ILE A 58 -1.082 -6.986 -1.027 1.00 0.00 C ATOM 927 O ILE A 58 -1.130 -5.942 -1.646 1.00 0.00 O ATOM 928 CB ILE A 58 1.142 -7.925 -1.646 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.861 -9.157 -2.226 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.673 -7.603 -0.244 1.00 0.00 C ATOM 931 CD1 ILE A 58 1.663 -10.395 -1.331 1.00 0.00 C ATOM 0 H ILE A 58 -0.444 -7.961 -3.699 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.537 -9.058 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 58 1.328 -7.065 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.481 -9.365 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.925 -8.945 -2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.743 -7.401 -0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.157 -6.727 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.497 -8.453 0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.183 -11.247 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.066 -10.195 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.600 -10.620 -1.252 1.00 0.00 H new ATOM 943 N SER A 59 -1.638 -7.106 0.144 1.00 0.00 N ATOM 944 CA SER A 59 -2.357 -5.957 0.760 1.00 0.00 C ATOM 945 C SER A 59 -1.405 -4.757 0.865 1.00 0.00 C ATOM 946 O SER A 59 -0.200 -4.914 0.875 1.00 0.00 O ATOM 947 CB SER A 59 -2.802 -6.364 2.155 1.00 0.00 C ATOM 948 OG SER A 59 -3.638 -5.355 2.686 1.00 0.00 O ATOM 0 H SER A 59 -1.625 -7.957 0.706 1.00 0.00 H new ATOM 0 HA SER A 59 -3.219 -5.683 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.336 -7.314 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.935 -6.511 2.799 1.00 0.00 H new ATOM 0 HG SER A 59 -3.122 -4.792 3.300 1.00 0.00 H new ATOM 954 N LEU A 60 -1.929 -3.561 0.943 1.00 0.00 N ATOM 955 CA LEU A 60 -1.039 -2.369 1.046 1.00 0.00 C ATOM 956 C LEU A 60 -0.216 -2.440 2.336 1.00 0.00 C ATOM 957 O LEU A 60 0.991 -2.308 2.320 1.00 0.00 O ATOM 958 CB LEU A 60 -1.890 -1.094 1.064 1.00 0.00 C ATOM 959 CG LEU A 60 -2.564 -0.892 -0.297 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.543 0.285 -0.205 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.506 -0.613 -1.389 1.00 0.00 C ATOM 0 H LEU A 60 -2.929 -3.360 0.940 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.367 -2.354 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.646 -1.163 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.264 -0.233 1.300 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.104 -1.800 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.026 0.433 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.300 0.071 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.000 1.189 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.002 -0.472 -2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.948 0.288 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.820 -1.458 -1.456 1.00 0.00 H new ATOM 973 N ARG A 61 -0.858 -2.640 3.452 1.00 0.00 N ATOM 974 CA ARG A 61 -0.114 -2.702 4.745 1.00 0.00 C ATOM 975 C ARG A 61 1.097 -3.629 4.602 1.00 0.00 C ATOM 976 O ARG A 61 2.171 -3.335 5.087 1.00 0.00 O ATOM 977 CB ARG A 61 -1.044 -3.243 5.844 1.00 0.00 C ATOM 978 CG ARG A 61 -2.318 -2.382 5.943 1.00 0.00 C ATOM 979 CD ARG A 61 -2.059 -1.139 6.805 1.00 0.00 C ATOM 980 NE ARG A 61 -3.291 -0.296 6.835 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.420 0.636 7.738 1.00 0.00 C ATOM 982 NH1 ARG A 61 -2.467 0.847 8.604 1.00 0.00 N ATOM 983 NH2 ARG A 61 -4.505 1.363 7.771 1.00 0.00 N ATOM 0 H ARG A 61 -1.868 -2.764 3.527 1.00 0.00 H new ATOM 0 HA ARG A 61 0.227 -1.702 5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.312 -4.277 5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.523 -3.244 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.639 -2.080 4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.129 -2.969 6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.782 -1.435 7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.223 -0.568 6.400 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.031 -0.449 6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.618 0.282 8.576 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.571 1.577 9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.248 1.201 7.092 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.609 2.093 8.476 1.00 0.00 H new ATOM 997 N GLU A 62 0.941 -4.746 3.944 1.00 0.00 N ATOM 998 CA GLU A 62 2.099 -5.672 3.784 1.00 0.00 C ATOM 999 C GLU A 62 3.097 -5.091 2.776 1.00 0.00 C ATOM 1000 O GLU A 62 4.293 -5.180 2.963 1.00 0.00 O ATOM 1001 CB GLU A 62 1.605 -7.044 3.318 1.00 0.00 C ATOM 1002 CG GLU A 62 0.875 -7.738 4.474 1.00 0.00 C ATOM 1003 CD GLU A 62 1.882 -8.132 5.559 1.00 0.00 C ATOM 1004 OE1 GLU A 62 2.908 -8.695 5.213 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.609 -7.863 6.718 1.00 0.00 O ATOM 0 H GLU A 62 0.070 -5.056 3.514 1.00 0.00 H new ATOM 0 HA GLU A 62 2.602 -5.788 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.936 -6.932 2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.446 -7.653 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.119 -7.073 4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.354 -8.623 4.109 1.00 0.00 H new ATOM 1012 N LYS A 63 2.627 -4.494 1.712 1.00 0.00 N ATOM 1013 CA LYS A 63 3.567 -3.913 0.711 1.00 0.00 C ATOM 1014 C LYS A 63 4.345 -2.750 1.348 1.00 0.00 C ATOM 1015 O LYS A 63 5.560 -2.730 1.345 1.00 0.00 O ATOM 1016 CB LYS A 63 2.756 -3.394 -0.499 1.00 0.00 C ATOM 1017 CG LYS A 63 2.825 -4.392 -1.656 1.00 0.00 C ATOM 1018 CD LYS A 63 1.890 -3.940 -2.782 1.00 0.00 C ATOM 1019 CE LYS A 63 2.279 -4.654 -4.074 1.00 0.00 C ATOM 1020 NZ LYS A 63 1.284 -4.351 -5.144 1.00 0.00 N ATOM 0 H LYS A 63 1.637 -4.384 1.494 1.00 0.00 H new ATOM 0 HA LYS A 63 4.272 -4.676 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.717 -3.236 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.147 -2.428 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.848 -4.465 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.540 -5.386 -1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.855 -4.166 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.957 -2.860 -2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.273 -4.336 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.327 -5.730 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.556 -4.841 -6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.342 -4.675 -4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.259 -3.325 -5.314 1.00 0.00 H new ATOM 1034 N ILE A 64 3.652 -1.782 1.878 1.00 0.00 N ATOM 1035 CA ILE A 64 4.343 -0.614 2.497 1.00 0.00 C ATOM 1036 C ILE A 64 5.449 -1.109 3.435 1.00 0.00 C ATOM 1037 O ILE A 64 6.607 -0.776 3.276 1.00 0.00 O ATOM 1038 CB ILE A 64 3.304 0.213 3.297 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.510 1.146 2.356 1.00 0.00 C ATOM 1040 CG2 ILE A 64 3.989 1.050 4.388 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.376 0.372 1.691 1.00 0.00 C ATOM 0 H ILE A 64 2.633 -1.748 1.910 1.00 0.00 H new ATOM 0 HA ILE A 64 4.790 0.008 1.722 1.00 0.00 H new ATOM 0 HB ILE A 64 2.617 -0.489 3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.106 1.987 2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.173 1.560 1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.238 1.621 4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.515 0.389 5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.701 1.735 3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.821 1.037 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.790 -0.454 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.706 -0.021 2.456 1.00 0.00 H new ATOM 1053 N ALA A 65 5.097 -1.886 4.415 1.00 0.00 N ATOM 1054 CA ALA A 65 6.121 -2.383 5.371 1.00 0.00 C ATOM 1055 C ALA A 65 7.252 -3.068 4.604 1.00 0.00 C ATOM 1056 O ALA A 65 8.414 -2.904 4.915 1.00 0.00 O ATOM 1057 CB ALA A 65 5.470 -3.393 6.320 1.00 0.00 C ATOM 0 H ALA A 65 4.144 -2.200 4.597 1.00 0.00 H new ATOM 0 HA ALA A 65 6.526 -1.546 5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.215 -3.763 7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.661 -2.909 6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.070 -4.228 5.744 1.00 0.00 H new ATOM 1063 N GLU A 66 6.918 -3.849 3.618 1.00 0.00 N ATOM 1064 CA GLU A 66 7.966 -4.568 2.841 1.00 0.00 C ATOM 1065 C GLU A 66 8.741 -3.613 1.917 1.00 0.00 C ATOM 1066 O GLU A 66 9.943 -3.719 1.789 1.00 0.00 O ATOM 1067 CB GLU A 66 7.297 -5.659 1.999 1.00 0.00 C ATOM 1068 CG GLU A 66 8.367 -6.471 1.265 1.00 0.00 C ATOM 1069 CD GLU A 66 7.722 -7.696 0.612 1.00 0.00 C ATOM 1070 OE1 GLU A 66 6.866 -7.511 -0.238 1.00 0.00 O ATOM 1071 OE2 GLU A 66 8.100 -8.799 0.969 1.00 0.00 O ATOM 0 H GLU A 66 5.960 -4.022 3.314 1.00 0.00 H new ATOM 0 HA GLU A 66 8.676 -5.005 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.704 -6.314 2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.612 -5.209 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.850 -5.854 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.143 -6.785 1.963 1.00 0.00 H new ATOM 1078 N LEU A 67 8.074 -2.709 1.248 1.00 0.00 N ATOM 1079 CA LEU A 67 8.806 -1.795 0.312 1.00 0.00 C ATOM 1080 C LEU A 67 9.680 -0.781 1.070 1.00 0.00 C ATOM 1081 O LEU A 67 10.805 -0.532 0.687 1.00 0.00 O ATOM 1082 CB LEU A 67 7.798 -1.038 -0.582 1.00 0.00 C ATOM 1083 CG LEU A 67 7.373 -1.904 -1.789 1.00 0.00 C ATOM 1084 CD1 LEU A 67 6.281 -2.889 -1.365 1.00 0.00 C ATOM 1085 CD2 LEU A 67 6.850 -0.999 -2.921 1.00 0.00 C ATOM 0 H LEU A 67 7.066 -2.562 1.305 1.00 0.00 H new ATOM 0 HA LEU A 67 9.461 -2.412 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.919 -0.766 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.245 -0.109 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 67 8.237 -2.464 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.986 -3.496 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.662 -3.536 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.416 -2.337 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.552 -1.614 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.991 -0.431 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.637 -0.311 -3.230 1.00 0.00 H new ATOM 1097 N GLN A 68 9.184 -0.174 2.109 1.00 0.00 N ATOM 1098 CA GLN A 68 10.017 0.841 2.822 1.00 0.00 C ATOM 1099 C GLN A 68 11.139 0.157 3.611 1.00 0.00 C ATOM 1100 O GLN A 68 12.224 0.689 3.740 1.00 0.00 O ATOM 1101 CB GLN A 68 9.138 1.671 3.760 1.00 0.00 C ATOM 1102 CG GLN A 68 8.154 2.494 2.924 1.00 0.00 C ATOM 1103 CD GLN A 68 7.305 3.376 3.842 1.00 0.00 C ATOM 1104 OE1 GLN A 68 7.338 3.227 5.048 1.00 0.00 O ATOM 1105 NE2 GLN A 68 6.536 4.289 3.317 1.00 0.00 N ATOM 0 H GLN A 68 8.253 -0.330 2.494 1.00 0.00 H new ATOM 0 HA GLN A 68 10.471 1.503 2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.596 1.018 4.444 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.756 2.330 4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.698 3.113 2.211 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.511 1.831 2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.509 4.413 2.305 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.961 4.879 3.918 1.00 0.00 H new ATOM 1114 N LYS A 69 10.902 -1.014 4.133 1.00 0.00 N ATOM 1115 CA LYS A 69 11.977 -1.713 4.898 1.00 0.00 C ATOM 1116 C LYS A 69 12.986 -2.324 3.919 1.00 0.00 C ATOM 1117 O LYS A 69 14.116 -2.604 4.269 1.00 0.00 O ATOM 1118 CB LYS A 69 11.358 -2.808 5.764 1.00 0.00 C ATOM 1119 CG LYS A 69 10.567 -2.151 6.897 1.00 0.00 C ATOM 1120 CD LYS A 69 9.734 -3.203 7.638 1.00 0.00 C ATOM 1121 CE LYS A 69 10.636 -4.085 8.512 1.00 0.00 C ATOM 1122 NZ LYS A 69 11.540 -3.235 9.337 1.00 0.00 N ATOM 0 H LYS A 69 10.017 -1.516 4.065 1.00 0.00 H new ATOM 0 HA LYS A 69 12.492 -0.999 5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.703 -3.440 5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.137 -3.453 6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.250 -1.662 7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.914 -1.377 6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.985 -2.711 8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.196 -3.822 6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.025 -4.714 9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.225 -4.752 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.812 -3.751 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.393 -3.002 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.047 -2.358 9.600 1.00 0.00 H new ATOM 1136 N ASP A 70 12.581 -2.540 2.694 1.00 0.00 N ATOM 1137 CA ASP A 70 13.507 -3.141 1.682 1.00 0.00 C ATOM 1138 C ASP A 70 14.141 -2.042 0.825 1.00 0.00 C ATOM 1139 O ASP A 70 15.321 -2.071 0.533 1.00 0.00 O ATOM 1140 CB ASP A 70 12.713 -4.070 0.766 1.00 0.00 C ATOM 1141 CG ASP A 70 12.294 -5.320 1.541 1.00 0.00 C ATOM 1142 OD1 ASP A 70 12.563 -5.375 2.730 1.00 0.00 O ATOM 1143 OD2 ASP A 70 11.708 -6.201 0.933 1.00 0.00 O ATOM 0 H ASP A 70 11.646 -2.326 2.348 1.00 0.00 H new ATOM 0 HA ASP A 70 14.289 -3.692 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.832 -3.554 0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 70 13.317 -4.350 -0.097 1.00 0.00 H new ATOM 1148 N ILE A 71 13.362 -1.084 0.407 1.00 0.00 N ATOM 1149 CA ILE A 71 13.910 0.005 -0.453 1.00 0.00 C ATOM 1150 C ILE A 71 14.634 1.031 0.421 1.00 0.00 C ATOM 1151 O ILE A 71 15.284 1.930 -0.070 1.00 0.00 O ATOM 1152 CB ILE A 71 12.757 0.682 -1.202 1.00 0.00 C ATOM 1153 CG1 ILE A 71 12.004 -0.371 -2.026 1.00 0.00 C ATOM 1154 CG2 ILE A 71 13.312 1.766 -2.133 1.00 0.00 C ATOM 1155 CD1 ILE A 71 10.745 0.246 -2.642 1.00 0.00 C ATOM 0 H ILE A 71 12.368 -1.007 0.623 1.00 0.00 H new ATOM 0 HA ILE A 71 14.615 -0.412 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 71 12.076 1.142 -0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.651 -0.759 -2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.732 -1.215 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.490 2.245 -2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.848 2.511 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.994 1.313 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.218 -0.509 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.094 0.612 -1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.026 1.075 -3.292 1.00 0.00 H new ATOM 1167 N HIS A 72 14.539 0.894 1.717 1.00 0.00 N ATOM 1168 CA HIS A 72 15.233 1.852 2.628 1.00 0.00 C ATOM 1169 C HIS A 72 15.708 1.095 3.873 1.00 0.00 C ATOM 1170 O HIS A 72 15.611 -0.113 3.951 1.00 0.00 O ATOM 1171 CB HIS A 72 14.265 2.966 3.055 1.00 0.00 C ATOM 1172 CG HIS A 72 13.413 3.402 1.892 1.00 0.00 C ATOM 1173 ND1 HIS A 72 12.032 3.297 1.928 1.00 0.00 N ATOM 1174 CD2 HIS A 72 13.712 3.974 0.675 1.00 0.00 C ATOM 1175 CE1 HIS A 72 11.554 3.794 0.774 1.00 0.00 C ATOM 1176 NE2 HIS A 72 12.536 4.219 -0.026 1.00 0.00 N ATOM 0 H HIS A 72 14.010 0.159 2.185 1.00 0.00 H new ATOM 0 HA HIS A 72 16.082 2.296 2.109 1.00 0.00 H new ATOM 0 HB2 HIS A 72 13.629 2.611 3.866 1.00 0.00 H new ATOM 0 HB3 HIS A 72 14.828 3.817 3.440 1.00 0.00 H new ATOM 0 HD1 HIS A 72 11.478 2.912 2.693 1.00 0.00 H new ATOM 0 HD2 HIS A 72 14.707 4.198 0.320 1.00 0.00 H new ATOM 0 HE1 HIS A 72 10.504 3.844 0.524 1.00 0.00 H new ATOM 1184 N ASP A 73 16.216 1.798 4.848 1.00 0.00 N ATOM 1185 CA ASP A 73 16.692 1.122 6.088 1.00 0.00 C ATOM 1186 C ASP A 73 15.493 0.804 6.989 1.00 0.00 C ATOM 1187 O ASP A 73 15.642 0.250 8.059 1.00 0.00 O ATOM 1188 CB ASP A 73 17.654 2.050 6.830 1.00 0.00 C ATOM 1189 CG ASP A 73 18.207 1.334 8.063 1.00 0.00 C ATOM 1190 OD1 ASP A 73 18.608 0.189 7.932 1.00 0.00 O ATOM 1191 OD2 ASP A 73 18.218 1.943 9.121 1.00 0.00 O ATOM 0 H ASP A 73 16.322 2.812 4.839 1.00 0.00 H new ATOM 0 HA ASP A 73 17.204 0.196 5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.471 2.346 6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 73 17.138 2.963 7.128 1.00 0.00 H new TER 1196 ASP A 73