USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 541 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 3 MET CE :methyl 167:sc= -0.0694 (180deg=0) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.0689 K(o=-0.14,f=-3!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0481 USER MOD Single : A 23 THR OG1 : rot -69:sc= -7.93! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0977 X(o=-0.098,f=0.23) USER MOD Single : A 29 LYS NZ :NH3+ -148:sc=-0.00264 (180deg=-1.01) USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= -0.184 (180deg=-1.22) USER MOD Single : A 36 GLN : amide:sc= -0.31 K(o=-0.31,f=-6.3!) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.84 X(o=-1.8,f=-2.3) USER MOD Single : A 55 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-2.3!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : A 59 GLN : amide:sc= -3.87! C(o=-3.9!,f=-12!) USER MOD Single : A 60 ASN : amide:sc= -12.7! C(o=-13!,f=-13!) USER MOD Single : A 61 CYS SG : rot -43:sc= -3.77! USER MOD Single : A 65 GLN : amide:sc= -1.36! C(o=-1.4!,f=-0.99!) USER MOD Single : A 67 SER OG : rot -70:sc= -0.131 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.95 F(o=-3.3!,f=-2) USER MOD Single : A 73 GLN : amide:sc= -2.12! C(o=-2.1!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 27 N MET A 3 7.112 -11.011 24.813 1.00 0.00 N ATOM 28 CA MET A 3 5.984 -11.210 25.758 1.00 0.00 C ATOM 29 C MET A 3 4.685 -10.756 25.086 1.00 0.00 C ATOM 30 O MET A 3 4.690 -10.178 24.009 1.00 0.00 O ATOM 31 CB MET A 3 6.242 -10.431 27.056 1.00 0.00 C ATOM 32 CG MET A 3 4.965 -9.726 27.530 1.00 0.00 C ATOM 33 SD MET A 3 5.365 -8.631 28.916 1.00 0.00 S ATOM 34 CE MET A 3 4.745 -9.700 30.239 1.00 0.00 C ATOM 0 HA MET A 3 5.895 -12.265 26.017 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.596 -11.112 27.830 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.030 -9.696 26.894 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.528 -9.152 26.713 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.222 -10.462 27.836 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.095 -9.328 31.202 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.655 -9.701 30.225 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.111 -10.716 30.088 1.00 0.00 H new ATOM 44 N ILE A 4 3.574 -11.066 25.685 1.00 0.00 N ATOM 45 CA ILE A 4 2.262 -10.708 25.080 1.00 0.00 C ATOM 46 C ILE A 4 1.967 -9.212 25.190 1.00 0.00 C ATOM 47 O ILE A 4 2.265 -8.566 26.175 1.00 0.00 O ATOM 48 CB ILE A 4 1.161 -11.453 25.824 1.00 0.00 C ATOM 49 CG1 ILE A 4 0.541 -12.506 24.905 1.00 0.00 C ATOM 50 CG2 ILE A 4 0.094 -10.442 26.245 1.00 0.00 C ATOM 51 CD1 ILE A 4 1.240 -13.849 25.114 1.00 0.00 C ATOM 0 H ILE A 4 3.516 -11.557 26.577 1.00 0.00 H new ATOM 0 HA ILE A 4 2.299 -10.980 24.025 1.00 0.00 H new ATOM 0 HB ILE A 4 1.572 -11.951 26.702 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.524 -12.603 25.114 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.634 -12.195 23.865 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.704 -10.957 26.780 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.541 -9.691 26.896 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.317 -9.957 25.360 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.795 -14.597 24.457 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.300 -13.747 24.882 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.124 -14.162 26.152 1.00 0.00 H new ATOM 63 N VAL A 5 1.314 -8.688 24.192 1.00 0.00 N ATOM 64 CA VAL A 5 0.899 -7.266 24.203 1.00 0.00 C ATOM 65 C VAL A 5 -0.614 -7.272 24.371 1.00 0.00 C ATOM 66 O VAL A 5 -1.239 -8.311 24.272 1.00 0.00 O ATOM 67 CB VAL A 5 1.264 -6.606 22.879 1.00 0.00 C ATOM 68 CG1 VAL A 5 1.460 -5.105 23.092 1.00 0.00 C ATOM 69 CG2 VAL A 5 2.557 -7.223 22.339 1.00 0.00 C ATOM 0 H VAL A 5 1.046 -9.201 23.352 1.00 0.00 H new ATOM 0 HA VAL A 5 1.393 -6.713 25.002 1.00 0.00 H new ATOM 0 HB VAL A 5 0.460 -6.766 22.160 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.721 -4.634 22.144 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.537 -4.668 23.472 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.262 -4.941 23.812 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.818 -6.751 21.392 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.362 -7.066 23.057 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.413 -8.292 22.184 1.00 0.00 H new ATOM 79 N PHE A 6 -1.226 -6.162 24.629 1.00 0.00 N ATOM 80 CA PHE A 6 -2.698 -6.190 24.797 1.00 0.00 C ATOM 81 C PHE A 6 -3.380 -5.623 23.557 1.00 0.00 C ATOM 82 O PHE A 6 -3.443 -4.432 23.371 1.00 0.00 O ATOM 83 CB PHE A 6 -3.078 -5.355 26.006 1.00 0.00 C ATOM 84 CG PHE A 6 -4.510 -5.653 26.368 1.00 0.00 C ATOM 85 CD1 PHE A 6 -4.953 -6.984 26.417 1.00 0.00 C ATOM 86 CD2 PHE A 6 -5.395 -4.605 26.649 1.00 0.00 C ATOM 87 CE1 PHE A 6 -6.284 -7.263 26.752 1.00 0.00 C ATOM 88 CE2 PHE A 6 -6.726 -4.887 26.983 1.00 0.00 C ATOM 89 CZ PHE A 6 -7.169 -6.215 27.036 1.00 0.00 C ATOM 0 H PHE A 6 -0.783 -5.249 24.730 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.022 -7.221 24.940 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.421 -5.584 26.845 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.957 -4.294 25.786 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -4.269 -7.791 26.197 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.052 -3.582 26.608 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -6.628 -8.286 26.791 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.411 -4.080 27.200 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.195 -6.431 27.296 1.00 0.00 H new ATOM 99 N VAL A 7 -3.915 -6.464 22.718 1.00 0.00 N ATOM 100 CA VAL A 7 -4.601 -5.953 21.500 1.00 0.00 C ATOM 101 C VAL A 7 -6.074 -5.743 21.794 1.00 0.00 C ATOM 102 O VAL A 7 -6.815 -6.687 21.979 1.00 0.00 O ATOM 103 CB VAL A 7 -4.478 -6.976 20.365 1.00 0.00 C ATOM 104 CG1 VAL A 7 -5.463 -6.624 19.234 1.00 0.00 C ATOM 105 CG2 VAL A 7 -3.048 -6.957 19.822 1.00 0.00 C ATOM 0 H VAL A 7 -3.907 -7.479 22.822 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.137 -5.011 21.207 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.713 -7.970 20.746 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.371 -7.355 18.431 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.482 -6.638 19.621 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.235 -5.630 18.849 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.956 -7.683 19.014 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.816 -5.962 19.443 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.352 -7.213 20.621 1.00 0.00 H new ATOM 115 N ARG A 8 -6.527 -4.528 21.801 1.00 0.00 N ATOM 116 CA ARG A 8 -7.974 -4.328 22.040 1.00 0.00 C ATOM 117 C ARG A 8 -8.681 -4.529 20.703 1.00 0.00 C ATOM 118 O ARG A 8 -8.770 -3.633 19.889 1.00 0.00 O ATOM 119 CB ARG A 8 -8.230 -2.920 22.578 1.00 0.00 C ATOM 120 CG ARG A 8 -8.051 -2.922 24.099 1.00 0.00 C ATOM 121 CD ARG A 8 -6.616 -2.518 24.444 1.00 0.00 C ATOM 122 NE ARG A 8 -6.467 -1.043 24.287 1.00 0.00 N ATOM 123 CZ ARG A 8 -7.252 -0.233 24.940 1.00 0.00 C ATOM 124 NH1 ARG A 8 -7.179 -0.162 26.242 1.00 0.00 N ATOM 125 NH2 ARG A 8 -8.106 0.511 24.293 1.00 0.00 N ATOM 0 H ARG A 8 -5.974 -3.683 21.655 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.349 -5.034 22.781 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.540 -2.212 22.120 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.238 -2.596 22.319 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.756 -2.230 24.560 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.268 -3.912 24.500 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.379 -2.812 25.467 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.913 -3.037 23.792 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.749 -0.667 23.667 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.508 -0.740 26.747 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.793 0.472 26.753 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.160 0.459 23.276 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.720 1.145 24.804 1.00 0.00 H new ATOM 139 N PHE A 9 -9.173 -5.714 20.470 1.00 0.00 N ATOM 140 CA PHE A 9 -9.849 -6.017 19.179 1.00 0.00 C ATOM 141 C PHE A 9 -11.185 -5.274 19.107 1.00 0.00 C ATOM 142 O PHE A 9 -11.975 -5.304 20.029 1.00 0.00 O ATOM 143 CB PHE A 9 -10.124 -7.518 19.122 1.00 0.00 C ATOM 144 CG PHE A 9 -9.214 -8.255 18.166 1.00 0.00 C ATOM 145 CD1 PHE A 9 -8.692 -7.673 16.985 1.00 0.00 C ATOM 146 CD2 PHE A 9 -8.918 -9.586 18.469 1.00 0.00 C ATOM 147 CE1 PHE A 9 -7.886 -8.447 16.145 1.00 0.00 C ATOM 148 CE2 PHE A 9 -8.108 -10.339 17.628 1.00 0.00 C ATOM 149 CZ PHE A 9 -7.593 -9.774 16.467 1.00 0.00 C ATOM 0 H PHE A 9 -9.135 -6.493 21.127 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.214 -5.706 18.349 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.009 -7.940 20.120 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.160 -7.680 18.825 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.914 -6.646 16.737 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.322 -10.034 19.365 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.486 -8.015 15.239 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.878 -11.365 17.877 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.966 -10.362 15.813 1.00 0.00 H new ATOM 223 N PHE A 15 -7.645 -9.296 22.699 1.00 0.00 N ATOM 224 CA PHE A 15 -6.931 -10.587 22.514 1.00 0.00 C ATOM 225 C PHE A 15 -5.428 -10.371 22.709 1.00 0.00 C ATOM 226 O PHE A 15 -4.883 -9.386 22.258 1.00 0.00 O ATOM 227 CB PHE A 15 -7.217 -11.118 21.107 1.00 0.00 C ATOM 228 CG PHE A 15 -6.013 -10.929 20.217 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.949 -11.839 20.278 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.964 -9.854 19.315 1.00 0.00 C ATOM 231 CE1 PHE A 15 -3.838 -11.679 19.444 1.00 0.00 C ATOM 232 CE2 PHE A 15 -4.851 -9.698 18.481 1.00 0.00 C ATOM 233 CZ PHE A 15 -3.790 -10.610 18.544 1.00 0.00 C ATOM 0 HA PHE A 15 -7.277 -11.315 23.248 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.478 -12.175 21.157 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.076 -10.598 20.683 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.987 -12.666 20.971 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.782 -9.150 19.265 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.018 -12.380 19.495 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.810 -8.872 17.787 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.934 -10.487 17.897 1.00 0.00 H new ATOM 243 N PRO A 16 -4.806 -11.301 23.389 1.00 0.00 N ATOM 244 CA PRO A 16 -3.364 -11.238 23.675 1.00 0.00 C ATOM 245 C PRO A 16 -2.554 -11.618 22.433 1.00 0.00 C ATOM 246 O PRO A 16 -2.775 -12.643 21.820 1.00 0.00 O ATOM 247 CB PRO A 16 -3.172 -12.267 24.792 1.00 0.00 C ATOM 248 CG PRO A 16 -4.369 -13.241 24.699 1.00 0.00 C ATOM 249 CD PRO A 16 -5.479 -12.498 23.931 1.00 0.00 C ATOM 0 HA PRO A 16 -3.027 -10.241 23.961 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.228 -12.799 24.672 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.142 -11.781 25.767 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.085 -14.157 24.180 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.712 -13.531 25.692 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.895 -13.116 23.135 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.305 -12.227 24.588 1.00 0.00 H new ATOM 257 N VAL A 17 -1.619 -10.791 22.061 1.00 0.00 N ATOM 258 CA VAL A 17 -0.786 -11.080 20.861 1.00 0.00 C ATOM 259 C VAL A 17 0.653 -11.360 21.297 1.00 0.00 C ATOM 260 O VAL A 17 1.100 -10.882 22.311 1.00 0.00 O ATOM 261 CB VAL A 17 -0.796 -9.851 19.954 1.00 0.00 C ATOM 262 CG1 VAL A 17 -0.145 -8.682 20.697 1.00 0.00 C ATOM 263 CG2 VAL A 17 -0.007 -10.150 18.678 1.00 0.00 C ATOM 0 H VAL A 17 -1.394 -9.920 22.541 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.184 -11.946 20.333 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.822 -9.595 19.689 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.147 -7.799 20.058 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.706 -8.472 21.608 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.882 -8.941 20.955 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.015 -9.273 18.031 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.022 -10.401 18.937 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.465 -10.990 18.155 1.00 0.00 H new ATOM 273 N GLU A 18 1.392 -12.116 20.539 1.00 0.00 N ATOM 274 CA GLU A 18 2.802 -12.387 20.932 1.00 0.00 C ATOM 275 C GLU A 18 3.728 -11.628 19.977 1.00 0.00 C ATOM 276 O GLU A 18 3.744 -11.884 18.790 1.00 0.00 O ATOM 277 CB GLU A 18 3.082 -13.889 20.840 1.00 0.00 C ATOM 278 CG GLU A 18 3.947 -14.320 22.026 1.00 0.00 C ATOM 279 CD GLU A 18 3.980 -15.848 22.110 1.00 0.00 C ATOM 280 OE1 GLU A 18 3.920 -16.481 21.069 1.00 0.00 O ATOM 281 OE2 GLU A 18 4.066 -16.359 23.215 1.00 0.00 O ATOM 0 H GLU A 18 1.086 -12.556 19.671 1.00 0.00 H new ATOM 0 HA GLU A 18 2.975 -12.059 21.957 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.145 -14.445 20.839 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.590 -14.118 19.903 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.958 -13.930 21.912 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.547 -13.904 22.951 1.00 0.00 H new ATOM 288 N VAL A 19 4.498 -10.691 20.471 1.00 0.00 N ATOM 289 CA VAL A 19 5.404 -9.936 19.550 1.00 0.00 C ATOM 290 C VAL A 19 6.660 -9.496 20.288 1.00 0.00 C ATOM 291 O VAL A 19 6.691 -9.396 21.499 1.00 0.00 O ATOM 292 CB VAL A 19 4.696 -8.687 19.014 1.00 0.00 C ATOM 293 CG1 VAL A 19 3.186 -8.831 19.213 1.00 0.00 C ATOM 294 CG2 VAL A 19 5.205 -7.459 19.775 1.00 0.00 C ATOM 0 H VAL A 19 4.540 -10.419 21.453 1.00 0.00 H new ATOM 0 HA VAL A 19 5.670 -10.596 18.724 1.00 0.00 H new ATOM 0 HB VAL A 19 4.906 -8.570 17.951 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.682 -7.943 18.832 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.830 -9.709 18.674 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.968 -8.944 20.275 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.706 -6.566 19.399 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.991 -7.575 20.837 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.281 -7.361 19.630 1.00 0.00 H new ATOM 304 N ASP A 20 7.688 -9.214 19.548 1.00 0.00 N ATOM 305 CA ASP A 20 8.955 -8.753 20.162 1.00 0.00 C ATOM 306 C ASP A 20 9.134 -7.273 19.833 1.00 0.00 C ATOM 307 O ASP A 20 8.343 -6.686 19.121 1.00 0.00 O ATOM 308 CB ASP A 20 10.128 -9.551 19.587 1.00 0.00 C ATOM 309 CG ASP A 20 11.039 -10.007 20.727 1.00 0.00 C ATOM 310 OD1 ASP A 20 10.910 -9.467 21.813 1.00 0.00 O ATOM 311 OD2 ASP A 20 11.852 -10.885 20.494 1.00 0.00 O ATOM 0 H ASP A 20 7.704 -9.284 18.531 1.00 0.00 H new ATOM 0 HA ASP A 20 8.925 -8.900 21.242 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.758 -10.415 19.034 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.689 -8.937 18.882 1.00 0.00 H new ATOM 316 N SER A 21 10.164 -6.664 20.340 1.00 0.00 N ATOM 317 CA SER A 21 10.395 -5.222 20.055 1.00 0.00 C ATOM 318 C SER A 21 10.661 -5.020 18.560 1.00 0.00 C ATOM 319 O SER A 21 10.784 -3.907 18.088 1.00 0.00 O ATOM 320 CB SER A 21 11.614 -4.752 20.841 1.00 0.00 C ATOM 321 OG SER A 21 11.703 -5.487 22.054 1.00 0.00 O ATOM 0 H SER A 21 10.860 -7.103 20.942 1.00 0.00 H new ATOM 0 HA SER A 21 9.513 -4.651 20.345 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.519 -4.893 20.250 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.535 -3.686 21.053 1.00 0.00 H new ATOM 0 HG SER A 21 12.487 -5.188 22.561 1.00 0.00 H new ATOM 327 N ASP A 22 10.779 -6.083 17.813 1.00 0.00 N ATOM 328 CA ASP A 22 11.067 -5.942 16.359 1.00 0.00 C ATOM 329 C ASP A 22 9.782 -6.013 15.523 1.00 0.00 C ATOM 330 O ASP A 22 9.792 -5.677 14.356 1.00 0.00 O ATOM 331 CB ASP A 22 12.011 -7.065 15.921 1.00 0.00 C ATOM 332 CG ASP A 22 12.718 -7.647 17.145 1.00 0.00 C ATOM 333 OD1 ASP A 22 13.507 -6.935 17.742 1.00 0.00 O ATOM 334 OD2 ASP A 22 12.457 -8.795 17.464 1.00 0.00 O ATOM 0 H ASP A 22 10.688 -7.043 18.147 1.00 0.00 H new ATOM 0 HA ASP A 22 11.528 -4.968 16.197 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.450 -7.846 15.407 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.745 -6.681 15.213 1.00 0.00 H new ATOM 339 N THR A 23 8.674 -6.443 16.080 1.00 0.00 N ATOM 340 CA THR A 23 7.440 -6.509 15.244 1.00 0.00 C ATOM 341 C THR A 23 7.285 -5.169 14.502 1.00 0.00 C ATOM 342 O THR A 23 7.387 -4.106 15.080 1.00 0.00 O ATOM 343 CB THR A 23 6.217 -6.836 16.120 1.00 0.00 C ATOM 344 OG1 THR A 23 6.642 -7.076 17.451 1.00 0.00 O ATOM 345 CG2 THR A 23 5.531 -8.090 15.573 1.00 0.00 C ATOM 0 H THR A 23 8.573 -6.743 17.050 1.00 0.00 H new ATOM 0 HA THR A 23 7.517 -7.308 14.507 1.00 0.00 H new ATOM 0 HB THR A 23 5.520 -5.998 16.107 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.147 -7.915 17.487 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.663 -8.328 16.189 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.210 -7.911 14.547 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.231 -8.926 15.593 1.00 0.00 H new ATOM 353 N SER A 24 7.097 -5.218 13.203 1.00 0.00 N ATOM 354 CA SER A 24 6.999 -3.957 12.392 1.00 0.00 C ATOM 355 C SER A 24 5.668 -3.235 12.610 1.00 0.00 C ATOM 356 O SER A 24 5.377 -2.255 11.963 1.00 0.00 O ATOM 357 CB SER A 24 7.124 -4.307 10.915 1.00 0.00 C ATOM 358 OG SER A 24 8.313 -5.061 10.706 1.00 0.00 O ATOM 0 H SER A 24 7.007 -6.081 12.666 1.00 0.00 H new ATOM 0 HA SER A 24 7.802 -3.293 12.712 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.255 -4.880 10.591 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.147 -3.397 10.315 1.00 0.00 H new ATOM 0 HG SER A 24 8.394 -5.288 9.756 1.00 0.00 H new ATOM 364 N ILE A 25 4.885 -3.710 13.518 1.00 0.00 N ATOM 365 CA ILE A 25 3.569 -3.085 13.837 1.00 0.00 C ATOM 366 C ILE A 25 2.538 -3.325 12.726 1.00 0.00 C ATOM 367 O ILE A 25 1.390 -3.547 13.020 1.00 0.00 O ATOM 368 CB ILE A 25 3.752 -1.598 14.056 1.00 0.00 C ATOM 369 CG1 ILE A 25 4.423 -1.363 15.410 1.00 0.00 C ATOM 370 CG2 ILE A 25 2.388 -0.897 14.013 1.00 0.00 C ATOM 371 CD1 ILE A 25 3.367 -1.130 16.489 1.00 0.00 C ATOM 0 H ILE A 25 5.102 -4.535 14.077 1.00 0.00 H new ATOM 0 HA ILE A 25 3.189 -3.551 14.746 1.00 0.00 H new ATOM 0 HB ILE A 25 4.383 -1.187 13.268 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.039 -2.223 15.673 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.088 -0.502 15.350 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.524 0.173 14.171 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.923 -1.064 13.041 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.746 -1.301 14.796 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.857 -0.964 17.448 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.770 -0.256 16.231 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.719 -2.004 16.559 1.00 0.00 H new ATOM 383 N LEU A 26 2.901 -3.359 11.464 1.00 0.00 N ATOM 384 CA LEU A 26 1.868 -3.676 10.458 1.00 0.00 C ATOM 385 C LEU A 26 1.759 -5.169 10.558 1.00 0.00 C ATOM 386 O LEU A 26 0.704 -5.754 10.493 1.00 0.00 O ATOM 387 CB LEU A 26 2.292 -3.253 9.055 1.00 0.00 C ATOM 388 CG LEU A 26 1.462 -4.017 8.022 1.00 0.00 C ATOM 389 CD1 LEU A 26 2.070 -5.404 7.843 1.00 0.00 C ATOM 390 CD2 LEU A 26 -0.003 -4.142 8.488 1.00 0.00 C ATOM 0 H LEU A 26 3.840 -3.185 11.106 1.00 0.00 H new ATOM 0 HA LEU A 26 0.928 -3.153 10.636 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.152 -2.179 8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.353 -3.455 8.907 1.00 0.00 H new ATOM 0 HG LEU A 26 1.471 -3.477 7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.490 -5.963 7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.099 -5.308 7.496 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.056 -5.933 8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.577 -4.688 7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.039 -4.679 9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.430 -3.147 8.618 1.00 0.00 H new ATOM 402 N GLN A 27 2.889 -5.770 10.805 1.00 0.00 N ATOM 403 CA GLN A 27 2.949 -7.218 11.021 1.00 0.00 C ATOM 404 C GLN A 27 2.087 -7.470 12.246 1.00 0.00 C ATOM 405 O GLN A 27 1.381 -8.450 12.352 1.00 0.00 O ATOM 406 CB GLN A 27 4.404 -7.563 11.308 1.00 0.00 C ATOM 407 CG GLN A 27 4.978 -8.383 10.152 1.00 0.00 C ATOM 408 CD GLN A 27 4.801 -9.873 10.448 1.00 0.00 C ATOM 409 OE1 GLN A 27 4.158 -10.581 9.698 1.00 0.00 O ATOM 410 NE2 GLN A 27 5.346 -10.381 11.518 1.00 0.00 N ATOM 0 H GLN A 27 3.789 -5.294 10.865 1.00 0.00 H new ATOM 0 HA GLN A 27 2.603 -7.812 10.175 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.984 -6.650 11.442 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.477 -8.127 12.238 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.473 -8.123 9.222 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.034 -8.151 10.017 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.886 -9.786 12.147 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.233 -11.373 11.726 1.00 0.00 H new ATOM 419 N LEU A 28 2.104 -6.520 13.144 1.00 0.00 N ATOM 420 CA LEU A 28 1.254 -6.595 14.352 1.00 0.00 C ATOM 421 C LEU A 28 -0.186 -6.544 13.852 1.00 0.00 C ATOM 422 O LEU A 28 -1.057 -7.232 14.341 1.00 0.00 O ATOM 423 CB LEU A 28 1.560 -5.370 15.236 1.00 0.00 C ATOM 424 CG LEU A 28 0.879 -5.480 16.595 1.00 0.00 C ATOM 425 CD1 LEU A 28 -0.627 -5.590 16.397 1.00 0.00 C ATOM 426 CD2 LEU A 28 1.410 -6.712 17.326 1.00 0.00 C ATOM 0 H LEU A 28 2.684 -5.683 13.083 1.00 0.00 H new ATOM 0 HA LEU A 28 1.429 -7.497 14.938 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.637 -5.279 15.374 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.225 -4.463 14.732 1.00 0.00 H new ATOM 0 HG LEU A 28 1.093 -4.594 17.192 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.117 -5.669 17.368 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.991 -4.704 15.878 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.852 -6.476 15.804 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.926 -6.795 18.299 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.197 -7.604 16.737 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.487 -6.617 17.464 1.00 0.00 H new ATOM 438 N LYS A 29 -0.422 -5.734 12.855 1.00 0.00 N ATOM 439 CA LYS A 29 -1.783 -5.630 12.275 1.00 0.00 C ATOM 440 C LYS A 29 -2.084 -6.930 11.543 1.00 0.00 C ATOM 441 O LYS A 29 -3.221 -7.274 11.328 1.00 0.00 O ATOM 442 CB LYS A 29 -1.842 -4.478 11.266 1.00 0.00 C ATOM 443 CG LYS A 29 -2.093 -3.147 11.979 1.00 0.00 C ATOM 444 CD LYS A 29 -0.939 -2.180 11.706 1.00 0.00 C ATOM 445 CE LYS A 29 -1.120 -0.890 12.510 1.00 0.00 C ATOM 446 NZ LYS A 29 -0.229 0.169 11.958 1.00 0.00 N ATOM 0 H LYS A 29 0.279 -5.137 12.417 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.506 -5.447 13.069 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.906 -4.427 10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.635 -4.663 10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.031 -2.712 11.635 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.193 -3.313 13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.008 -2.651 11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.894 -1.949 10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.159 -0.565 12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.885 -1.067 13.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.076 0.801 12.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.605 -0.272 11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.745 0.719 11.242 1.00 0.00 H new ATOM 460 N GLU A 30 -1.060 -7.646 11.147 1.00 0.00 N ATOM 461 CA GLU A 30 -1.272 -8.919 10.410 1.00 0.00 C ATOM 462 C GLU A 30 -1.768 -9.993 11.377 1.00 0.00 C ATOM 463 O GLU A 30 -2.771 -10.626 11.134 1.00 0.00 O ATOM 464 CB GLU A 30 0.049 -9.376 9.782 1.00 0.00 C ATOM 465 CG GLU A 30 0.499 -8.349 8.742 1.00 0.00 C ATOM 466 CD GLU A 30 1.501 -8.995 7.783 1.00 0.00 C ATOM 467 OE1 GLU A 30 1.795 -10.165 7.962 1.00 0.00 O ATOM 468 OE2 GLU A 30 1.958 -8.307 6.883 1.00 0.00 O ATOM 0 H GLU A 30 -0.084 -7.397 11.306 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.013 -8.761 9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.812 -9.487 10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.077 -10.353 9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.362 -7.977 8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.955 -7.491 9.237 1.00 0.00 H new ATOM 475 N VAL A 31 -1.076 -10.184 12.476 1.00 0.00 N ATOM 476 CA VAL A 31 -1.494 -11.205 13.486 1.00 0.00 C ATOM 477 C VAL A 31 -2.842 -10.795 14.066 1.00 0.00 C ATOM 478 O VAL A 31 -3.777 -11.570 14.107 1.00 0.00 O ATOM 479 CB VAL A 31 -0.448 -11.248 14.602 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.901 -12.220 15.691 1.00 0.00 C ATOM 481 CG2 VAL A 31 0.889 -11.718 14.021 1.00 0.00 C ATOM 0 H VAL A 31 -0.229 -9.669 12.717 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.577 -12.188 13.023 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.332 -10.253 15.033 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.155 -12.250 16.485 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.855 -11.888 16.101 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.017 -13.216 15.264 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.638 -11.750 14.812 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.770 -12.713 13.593 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.212 -11.025 13.244 1.00 0.00 H new ATOM 491 N VAL A 32 -2.958 -9.569 14.476 1.00 0.00 N ATOM 492 CA VAL A 32 -4.253 -9.085 15.010 1.00 0.00 C ATOM 493 C VAL A 32 -5.265 -9.206 13.883 1.00 0.00 C ATOM 494 O VAL A 32 -6.436 -9.444 14.089 1.00 0.00 O ATOM 495 CB VAL A 32 -4.116 -7.613 15.413 1.00 0.00 C ATOM 496 CG1 VAL A 32 -5.449 -7.090 15.943 1.00 0.00 C ATOM 497 CG2 VAL A 32 -3.042 -7.468 16.490 1.00 0.00 C ATOM 0 H VAL A 32 -2.208 -8.878 14.464 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.562 -9.661 15.882 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.828 -7.032 14.537 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.342 -6.043 16.227 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.209 -7.180 15.167 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.748 -7.673 16.814 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.949 -6.419 16.772 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.322 -8.056 17.364 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.088 -7.825 16.103 1.00 0.00 H new ATOM 507 N ALA A 33 -4.809 -9.039 12.678 1.00 0.00 N ATOM 508 CA ALA A 33 -5.726 -9.142 11.521 1.00 0.00 C ATOM 509 C ALA A 33 -6.178 -10.599 11.374 1.00 0.00 C ATOM 510 O ALA A 33 -7.264 -10.884 10.909 1.00 0.00 O ATOM 511 CB ALA A 33 -4.993 -8.703 10.243 1.00 0.00 C ATOM 0 H ALA A 33 -3.837 -8.835 12.446 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.592 -8.499 11.678 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.669 -8.779 9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.660 -7.671 10.351 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.129 -9.347 10.079 1.00 0.00 H new ATOM 517 N LYS A 34 -5.340 -11.525 11.772 1.00 0.00 N ATOM 518 CA LYS A 34 -5.696 -12.973 11.664 1.00 0.00 C ATOM 519 C LYS A 34 -6.878 -13.276 12.572 1.00 0.00 C ATOM 520 O LYS A 34 -7.867 -13.853 12.167 1.00 0.00 O ATOM 521 CB LYS A 34 -4.513 -13.834 12.131 1.00 0.00 C ATOM 522 CG LYS A 34 -3.215 -13.287 11.575 1.00 0.00 C ATOM 523 CD LYS A 34 -3.327 -13.119 10.060 1.00 0.00 C ATOM 524 CE LYS A 34 -3.410 -14.498 9.402 1.00 0.00 C ATOM 525 NZ LYS A 34 -2.219 -15.308 9.790 1.00 0.00 N ATOM 0 H LYS A 34 -4.419 -11.338 12.169 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.943 -13.196 10.626 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.473 -13.849 13.220 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.652 -14.864 11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.986 -12.328 12.040 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.394 -13.962 11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.211 -12.532 9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.464 -12.573 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.324 -15.005 9.711 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.454 -14.393 8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.049 -16.041 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.386 -14.690 9.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.391 -15.759 10.711 1.00 0.00 H new ATOM 539 N ARG A 35 -6.756 -12.914 13.812 1.00 0.00 N ATOM 540 CA ARG A 35 -7.841 -13.199 14.792 1.00 0.00 C ATOM 541 C ARG A 35 -9.054 -12.287 14.566 1.00 0.00 C ATOM 542 O ARG A 35 -10.152 -12.598 14.983 1.00 0.00 O ATOM 543 CB ARG A 35 -7.304 -12.983 16.206 1.00 0.00 C ATOM 544 CG ARG A 35 -6.506 -14.210 16.645 1.00 0.00 C ATOM 545 CD ARG A 35 -5.012 -13.898 16.562 1.00 0.00 C ATOM 546 NE ARG A 35 -4.229 -15.148 16.774 1.00 0.00 N ATOM 547 CZ ARG A 35 -4.626 -16.022 17.657 1.00 0.00 C ATOM 548 NH1 ARG A 35 -4.535 -15.751 18.929 1.00 0.00 N ATOM 549 NH2 ARG A 35 -5.112 -17.170 17.268 1.00 0.00 N ATOM 0 H ARG A 35 -5.945 -12.428 14.196 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.163 -14.232 14.658 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.671 -12.096 16.234 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.129 -12.807 16.896 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.775 -14.487 17.664 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.747 -15.062 16.009 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.773 -13.468 15.589 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.743 -13.156 17.314 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.384 -15.320 16.229 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.153 -14.855 19.234 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.845 -16.434 19.620 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.181 -17.384 16.273 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.422 -17.853 17.959 1.00 0.00 H new ATOM 563 N GLN A 36 -8.879 -11.157 13.937 1.00 0.00 N ATOM 564 CA GLN A 36 -10.044 -10.242 13.729 1.00 0.00 C ATOM 565 C GLN A 36 -10.871 -10.689 12.519 1.00 0.00 C ATOM 566 O GLN A 36 -12.016 -10.310 12.369 1.00 0.00 O ATOM 567 CB GLN A 36 -9.537 -8.816 13.501 1.00 0.00 C ATOM 568 CG GLN A 36 -10.118 -7.885 14.567 1.00 0.00 C ATOM 569 CD GLN A 36 -11.339 -7.152 14.006 1.00 0.00 C ATOM 570 OE1 GLN A 36 -11.205 -6.281 13.170 1.00 0.00 O ATOM 571 NE2 GLN A 36 -12.531 -7.469 14.432 1.00 0.00 N ATOM 0 H GLN A 36 -7.990 -10.827 13.560 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.677 -10.273 14.616 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.448 -8.796 13.542 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.825 -8.472 12.508 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.401 -8.459 15.449 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.364 -7.165 14.884 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.644 -8.200 15.134 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.350 -6.985 14.063 1.00 0.00 H new ATOM 580 N GLY A 37 -10.309 -11.484 11.658 1.00 0.00 N ATOM 581 CA GLY A 37 -11.071 -11.946 10.461 1.00 0.00 C ATOM 582 C GLY A 37 -10.935 -10.908 9.348 1.00 0.00 C ATOM 583 O GLY A 37 -11.756 -10.816 8.460 1.00 0.00 O ATOM 0 H GLY A 37 -9.354 -11.836 11.728 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.692 -12.911 10.124 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.121 -12.088 10.716 1.00 0.00 H new ATOM 587 N VAL A 38 -9.897 -10.126 9.400 1.00 0.00 N ATOM 588 CA VAL A 38 -9.680 -9.082 8.362 1.00 0.00 C ATOM 589 C VAL A 38 -8.185 -8.919 8.143 1.00 0.00 C ATOM 590 O VAL A 38 -7.383 -9.352 8.943 1.00 0.00 O ATOM 591 CB VAL A 38 -10.277 -7.758 8.835 1.00 0.00 C ATOM 592 CG1 VAL A 38 -11.687 -7.601 8.265 1.00 0.00 C ATOM 593 CG2 VAL A 38 -10.340 -7.757 10.361 1.00 0.00 C ATOM 0 H VAL A 38 -9.181 -10.165 10.125 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.163 -9.376 7.430 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.656 -6.930 8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.113 -6.656 8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.642 -7.610 7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.312 -8.425 8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.765 -6.815 10.707 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.965 -8.583 10.700 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.335 -7.872 10.767 1.00 0.00 H new ATOM 603 N PRO A 39 -7.876 -8.303 7.051 1.00 0.00 N ATOM 604 CA PRO A 39 -6.490 -8.044 6.634 1.00 0.00 C ATOM 605 C PRO A 39 -5.866 -6.909 7.456 1.00 0.00 C ATOM 606 O PRO A 39 -6.513 -5.940 7.800 1.00 0.00 O ATOM 607 CB PRO A 39 -6.637 -7.660 5.157 1.00 0.00 C ATOM 608 CG PRO A 39 -8.103 -7.197 4.971 1.00 0.00 C ATOM 609 CD PRO A 39 -8.904 -7.802 6.127 1.00 0.00 C ATOM 0 HA PRO A 39 -5.828 -8.897 6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.941 -6.864 4.891 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.412 -8.508 4.511 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.170 -6.109 4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.496 -7.531 4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.540 -7.057 6.604 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.556 -8.605 5.783 1.00 0.00 H new ATOM 617 N ALA A 40 -4.600 -7.035 7.763 1.00 0.00 N ATOM 618 CA ALA A 40 -3.893 -5.988 8.559 1.00 0.00 C ATOM 619 C ALA A 40 -4.156 -4.614 7.954 1.00 0.00 C ATOM 620 O ALA A 40 -3.996 -3.600 8.601 1.00 0.00 O ATOM 621 CB ALA A 40 -2.398 -6.271 8.522 1.00 0.00 C ATOM 0 H ALA A 40 -4.020 -7.829 7.492 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.255 -6.003 9.587 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.870 -5.513 9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.203 -7.255 8.950 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.049 -6.249 7.490 1.00 0.00 H new ATOM 627 N ASP A 41 -4.552 -4.569 6.717 1.00 0.00 N ATOM 628 CA ASP A 41 -4.819 -3.258 6.079 1.00 0.00 C ATOM 629 C ASP A 41 -5.993 -2.585 6.798 1.00 0.00 C ATOM 630 O ASP A 41 -5.847 -1.541 7.403 1.00 0.00 O ATOM 631 CB ASP A 41 -5.160 -3.472 4.604 1.00 0.00 C ATOM 632 CG ASP A 41 -4.999 -2.156 3.840 1.00 0.00 C ATOM 633 OD1 ASP A 41 -5.197 -1.114 4.441 1.00 0.00 O ATOM 634 OD2 ASP A 41 -4.680 -2.214 2.662 1.00 0.00 O ATOM 0 H ASP A 41 -4.702 -5.383 6.121 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.938 -2.620 6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.507 -4.234 4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.182 -3.837 4.507 1.00 0.00 H new ATOM 639 N GLN A 42 -7.155 -3.188 6.757 1.00 0.00 N ATOM 640 CA GLN A 42 -8.334 -2.599 7.458 1.00 0.00 C ATOM 641 C GLN A 42 -7.994 -2.482 8.937 1.00 0.00 C ATOM 642 O GLN A 42 -8.247 -1.487 9.587 1.00 0.00 O ATOM 643 CB GLN A 42 -9.529 -3.543 7.314 1.00 0.00 C ATOM 644 CG GLN A 42 -10.411 -3.083 6.153 1.00 0.00 C ATOM 645 CD GLN A 42 -11.701 -3.907 6.134 1.00 0.00 C ATOM 646 OE1 GLN A 42 -11.662 -5.119 6.205 1.00 0.00 O ATOM 647 NE2 GLN A 42 -12.849 -3.294 6.038 1.00 0.00 N ATOM 0 H GLN A 42 -7.337 -4.064 6.267 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.576 -1.625 7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.182 -4.561 7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.106 -3.558 8.238 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.645 -2.024 6.258 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.878 -3.200 5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.880 -2.276 5.978 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.715 -3.833 6.023 1.00 0.00 H new ATOM 656 N LEU A 43 -7.419 -3.519 9.452 1.00 0.00 N ATOM 657 CA LEU A 43 -7.027 -3.574 10.879 1.00 0.00 C ATOM 658 C LEU A 43 -5.880 -2.602 11.144 1.00 0.00 C ATOM 659 O LEU A 43 -5.006 -2.433 10.320 1.00 0.00 O ATOM 660 CB LEU A 43 -6.549 -4.990 11.134 1.00 0.00 C ATOM 661 CG LEU A 43 -6.960 -5.435 12.518 1.00 0.00 C ATOM 662 CD1 LEU A 43 -8.368 -6.039 12.461 1.00 0.00 C ATOM 663 CD2 LEU A 43 -5.962 -6.484 12.983 1.00 0.00 C ATOM 0 H LEU A 43 -7.196 -4.363 8.924 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.861 -3.303 11.526 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.969 -5.664 10.387 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.465 -5.040 11.035 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.971 -4.592 13.209 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.667 -6.361 13.459 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.071 -5.290 12.096 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.369 -6.896 11.788 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.232 -6.826 13.982 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.975 -7.329 12.294 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.962 -6.050 13.006 1.00 0.00 H new ATOM 675 N ARG A 44 -5.846 -1.972 12.289 1.00 0.00 N ATOM 676 CA ARG A 44 -4.710 -1.047 12.554 1.00 0.00 C ATOM 677 C ARG A 44 -4.487 -0.853 14.044 1.00 0.00 C ATOM 678 O ARG A 44 -5.332 -0.369 14.770 1.00 0.00 O ATOM 679 CB ARG A 44 -4.930 0.281 11.848 1.00 0.00 C ATOM 680 CG ARG A 44 -4.000 0.308 10.636 1.00 0.00 C ATOM 681 CD ARG A 44 -4.804 0.011 9.367 1.00 0.00 C ATOM 682 NE ARG A 44 -4.696 1.156 8.420 1.00 0.00 N ATOM 683 CZ ARG A 44 -4.715 2.380 8.871 1.00 0.00 C ATOM 684 NH1 ARG A 44 -5.846 2.927 9.220 1.00 0.00 N ATOM 685 NH2 ARG A 44 -3.602 3.052 8.974 1.00 0.00 N ATOM 0 H ARG A 44 -6.538 -2.055 13.034 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.804 -1.500 12.151 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.970 0.384 11.537 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.713 1.113 12.518 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.520 1.283 10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.206 -0.429 10.757 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.433 -0.899 8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.849 -0.165 9.621 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.607 0.983 7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.714 2.398 9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.862 3.884 9.573 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.719 2.620 8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.615 4.009 9.326 1.00 0.00 H new ATOM 699 N VAL A 45 -3.334 -1.261 14.490 1.00 0.00 N ATOM 700 CA VAL A 45 -2.981 -1.168 15.925 1.00 0.00 C ATOM 701 C VAL A 45 -2.223 0.120 16.236 1.00 0.00 C ATOM 702 O VAL A 45 -1.162 0.380 15.704 1.00 0.00 O ATOM 703 CB VAL A 45 -2.085 -2.354 16.265 1.00 0.00 C ATOM 704 CG1 VAL A 45 -2.235 -2.690 17.739 1.00 0.00 C ATOM 705 CG2 VAL A 45 -2.512 -3.548 15.423 1.00 0.00 C ATOM 0 H VAL A 45 -2.605 -1.665 13.901 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.899 -1.171 16.513 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.044 -2.109 16.056 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.596 -3.538 17.986 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.944 -1.829 18.340 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.273 -2.945 17.950 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.878 -4.403 15.657 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.551 -3.795 15.642 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.413 -3.302 14.366 1.00 0.00 H new ATOM 715 N ILE A 46 -2.741 0.898 17.137 1.00 0.00 N ATOM 716 CA ILE A 46 -2.041 2.139 17.546 1.00 0.00 C ATOM 717 C ILE A 46 -1.863 2.062 19.060 1.00 0.00 C ATOM 718 O ILE A 46 -2.811 1.938 19.807 1.00 0.00 O ATOM 719 CB ILE A 46 -2.855 3.359 17.128 1.00 0.00 C ATOM 720 CG1 ILE A 46 -2.980 3.340 15.597 1.00 0.00 C ATOM 721 CG2 ILE A 46 -2.138 4.643 17.582 1.00 0.00 C ATOM 722 CD1 ILE A 46 -3.673 4.621 15.126 1.00 0.00 C ATOM 0 H ILE A 46 -3.627 0.726 17.612 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.069 2.235 17.063 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.843 3.335 17.588 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.993 3.259 15.142 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.550 2.467 15.279 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.723 5.512 17.281 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.030 4.636 18.667 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.152 4.692 17.120 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.762 4.608 14.040 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.666 4.682 15.571 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.085 5.486 15.432 1.00 0.00 H new ATOM 734 N PHE A 47 -0.645 2.068 19.504 1.00 0.00 N ATOM 735 CA PHE A 47 -0.367 1.909 20.958 1.00 0.00 C ATOM 736 C PHE A 47 -0.475 3.226 21.716 1.00 0.00 C ATOM 737 O PHE A 47 0.077 4.227 21.317 1.00 0.00 O ATOM 738 CB PHE A 47 1.050 1.410 21.108 1.00 0.00 C ATOM 739 CG PHE A 47 1.571 1.921 22.406 1.00 0.00 C ATOM 740 CD1 PHE A 47 2.125 3.204 22.478 1.00 0.00 C ATOM 741 CD2 PHE A 47 1.501 1.108 23.531 1.00 0.00 C ATOM 742 CE1 PHE A 47 2.618 3.675 23.699 1.00 0.00 C ATOM 743 CE2 PHE A 47 1.990 1.575 24.755 1.00 0.00 C ATOM 744 CZ PHE A 47 2.552 2.859 24.840 1.00 0.00 C ATOM 0 H PHE A 47 0.183 2.177 18.918 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.102 1.217 21.368 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.077 0.321 21.087 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.669 1.760 20.282 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.172 3.826 21.597 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.071 0.120 23.460 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.048 4.663 23.764 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.936 0.949 25.633 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.934 3.219 25.784 1.00 0.00 H new ATOM 754 N ALA A 48 -1.154 3.211 22.838 1.00 0.00 N ATOM 755 CA ALA A 48 -1.281 4.448 23.666 1.00 0.00 C ATOM 756 C ALA A 48 -2.029 5.517 22.884 1.00 0.00 C ATOM 757 O ALA A 48 -2.098 6.662 23.283 1.00 0.00 O ATOM 758 CB ALA A 48 0.110 4.968 24.022 1.00 0.00 C ATOM 0 H ALA A 48 -1.627 2.390 23.216 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.831 4.213 24.577 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.017 5.871 24.626 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.649 4.207 24.586 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.657 5.198 23.108 1.00 0.00 H new ATOM 764 N GLY A 49 -2.590 5.151 21.774 1.00 0.00 N ATOM 765 CA GLY A 49 -3.334 6.138 20.959 1.00 0.00 C ATOM 766 C GLY A 49 -2.351 7.064 20.244 1.00 0.00 C ATOM 767 O GLY A 49 -2.731 8.100 19.740 1.00 0.00 O ATOM 0 H GLY A 49 -2.565 4.205 21.394 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.960 5.623 20.230 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.000 6.721 21.595 1.00 0.00 H new ATOM 771 N LYS A 50 -1.086 6.714 20.184 1.00 0.00 N ATOM 772 CA LYS A 50 -0.134 7.612 19.484 1.00 0.00 C ATOM 773 C LYS A 50 0.088 7.092 18.070 1.00 0.00 C ATOM 774 O LYS A 50 0.480 5.960 17.865 1.00 0.00 O ATOM 775 CB LYS A 50 1.194 7.663 20.241 1.00 0.00 C ATOM 776 CG LYS A 50 1.572 9.121 20.511 1.00 0.00 C ATOM 777 CD LYS A 50 1.444 9.415 22.007 1.00 0.00 C ATOM 778 CE LYS A 50 2.837 9.620 22.604 1.00 0.00 C ATOM 779 NZ LYS A 50 3.028 8.687 23.750 1.00 0.00 N ATOM 0 H LYS A 50 -0.686 5.864 20.582 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.545 8.620 19.442 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.110 7.118 21.181 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.976 7.175 19.659 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.593 9.310 20.179 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.923 9.787 19.942 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.834 10.305 22.163 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.939 8.590 22.509 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.599 9.442 21.845 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.953 10.651 22.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.975 8.826 24.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.308 8.877 24.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.934 7.706 23.418 1.00 0.00 H new ATOM 793 N GLU A 51 -0.182 7.906 17.090 1.00 0.00 N ATOM 794 CA GLU A 51 -0.012 7.456 15.686 1.00 0.00 C ATOM 795 C GLU A 51 1.351 6.797 15.511 1.00 0.00 C ATOM 796 O GLU A 51 2.355 7.451 15.304 1.00 0.00 O ATOM 797 CB GLU A 51 -0.135 8.641 14.735 1.00 0.00 C ATOM 798 CG GLU A 51 -0.724 8.140 13.419 1.00 0.00 C ATOM 799 CD GLU A 51 -2.246 8.296 13.447 1.00 0.00 C ATOM 800 OE1 GLU A 51 -2.770 8.603 14.505 1.00 0.00 O ATOM 801 OE2 GLU A 51 -2.861 8.102 12.412 1.00 0.00 O ATOM 0 H GLU A 51 -0.513 8.864 17.203 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.793 6.732 15.454 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.774 9.411 15.168 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.841 9.095 14.566 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.306 8.702 12.584 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.458 7.094 13.264 1.00 0.00 H new ATOM 808 N LEU A 52 1.383 5.502 15.582 1.00 0.00 N ATOM 809 CA LEU A 52 2.648 4.763 15.415 1.00 0.00 C ATOM 810 C LEU A 52 2.498 3.880 14.156 1.00 0.00 C ATOM 811 O LEU A 52 1.602 3.067 14.072 1.00 0.00 O ATOM 812 CB LEU A 52 2.882 3.984 16.709 1.00 0.00 C ATOM 813 CG LEU A 52 2.786 2.512 16.483 1.00 0.00 C ATOM 814 CD1 LEU A 52 4.018 2.093 15.700 1.00 0.00 C ATOM 815 CD2 LEU A 52 2.748 1.846 17.855 1.00 0.00 C ATOM 0 H LEU A 52 0.566 4.916 15.753 1.00 0.00 H new ATOM 0 HA LEU A 52 3.522 5.395 15.257 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.866 4.229 17.110 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.149 4.288 17.456 1.00 0.00 H new ATOM 0 HG LEU A 52 1.896 2.225 15.923 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.984 1.019 15.515 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.043 2.625 14.749 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.913 2.334 16.274 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.678 0.765 17.733 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.658 2.091 18.404 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.882 2.206 18.410 1.00 0.00 H new ATOM 827 N PRO A 53 3.341 4.143 13.173 1.00 0.00 N ATOM 828 CA PRO A 53 3.285 3.463 11.855 1.00 0.00 C ATOM 829 C PRO A 53 3.765 2.010 11.902 1.00 0.00 C ATOM 830 O PRO A 53 3.785 1.379 12.939 1.00 0.00 O ATOM 831 CB PRO A 53 4.198 4.317 10.969 1.00 0.00 C ATOM 832 CG PRO A 53 5.140 5.085 11.922 1.00 0.00 C ATOM 833 CD PRO A 53 4.435 5.129 13.290 1.00 0.00 C ATOM 0 HA PRO A 53 2.262 3.391 11.487 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.767 3.691 10.282 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.613 5.008 10.361 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.106 4.585 11.999 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.331 6.092 11.551 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.119 4.869 14.098 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.050 6.126 13.506 1.00 0.00 H new ATOM 841 N ASN A 54 4.121 1.466 10.764 1.00 0.00 N ATOM 842 CA ASN A 54 4.564 0.045 10.720 1.00 0.00 C ATOM 843 C ASN A 54 6.060 -0.054 10.407 1.00 0.00 C ATOM 844 O ASN A 54 6.796 -0.711 11.111 1.00 0.00 O ATOM 845 CB ASN A 54 3.774 -0.696 9.643 1.00 0.00 C ATOM 846 CG ASN A 54 3.837 0.087 8.330 1.00 0.00 C ATOM 847 OD1 ASN A 54 4.671 -0.183 7.488 1.00 0.00 O ATOM 848 ND2 ASN A 54 2.984 1.052 8.118 1.00 0.00 N ATOM 0 H ASN A 54 4.123 1.948 9.865 1.00 0.00 H new ATOM 0 HA ASN A 54 4.384 -0.404 11.697 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.183 -1.696 9.501 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.737 -0.817 9.957 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.017 1.580 7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.284 1.278 8.825 1.00 0.00 H new ATOM 855 N HIS A 55 6.522 0.574 9.358 1.00 0.00 N ATOM 856 CA HIS A 55 7.977 0.477 9.035 1.00 0.00 C ATOM 857 C HIS A 55 8.786 0.623 10.327 1.00 0.00 C ATOM 858 O HIS A 55 9.882 0.112 10.447 1.00 0.00 O ATOM 859 CB HIS A 55 8.370 1.569 8.035 1.00 0.00 C ATOM 860 CG HIS A 55 8.099 2.922 8.625 1.00 0.00 C ATOM 861 ND1 HIS A 55 6.882 3.562 8.469 1.00 0.00 N ATOM 862 CD2 HIS A 55 8.881 3.775 9.365 1.00 0.00 C ATOM 863 CE1 HIS A 55 6.964 4.747 9.100 1.00 0.00 C ATOM 864 NE2 HIS A 55 8.162 4.927 9.664 1.00 0.00 N ATOM 0 H HIS A 55 5.965 1.142 8.719 1.00 0.00 H new ATOM 0 HA HIS A 55 8.187 -0.492 8.583 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.426 1.478 7.780 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.807 1.447 7.110 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.899 3.581 9.668 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.159 5.466 9.145 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.480 5.735 10.199 1.00 0.00 H new ATOM 872 N LEU A 56 8.236 1.290 11.307 1.00 0.00 N ATOM 873 CA LEU A 56 8.950 1.438 12.604 1.00 0.00 C ATOM 874 C LEU A 56 8.881 0.102 13.349 1.00 0.00 C ATOM 875 O LEU A 56 8.036 -0.724 13.072 1.00 0.00 O ATOM 876 CB LEU A 56 8.265 2.523 13.436 1.00 0.00 C ATOM 877 CG LEU A 56 8.487 3.882 12.775 1.00 0.00 C ATOM 878 CD1 LEU A 56 8.005 4.990 13.714 1.00 0.00 C ATOM 879 CD2 LEU A 56 9.979 4.065 12.488 1.00 0.00 C ATOM 0 H LEU A 56 7.321 1.739 11.263 1.00 0.00 H new ATOM 0 HA LEU A 56 9.990 1.718 12.434 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.198 2.315 13.518 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.667 2.529 14.449 1.00 0.00 H new ATOM 0 HG LEU A 56 7.927 3.932 11.841 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.163 5.960 13.243 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.943 4.856 13.921 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.565 4.945 14.648 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.143 5.034 12.016 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.538 4.018 13.423 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.321 3.274 11.821 1.00 0.00 H new ATOM 891 N THR A 57 9.757 -0.129 14.286 1.00 0.00 N ATOM 892 CA THR A 57 9.718 -1.424 15.020 1.00 0.00 C ATOM 893 C THR A 57 8.808 -1.312 16.246 1.00 0.00 C ATOM 894 O THR A 57 8.330 -0.248 16.587 1.00 0.00 O ATOM 895 CB THR A 57 11.127 -1.814 15.457 1.00 0.00 C ATOM 896 OG1 THR A 57 11.947 -0.656 15.511 1.00 0.00 O ATOM 897 CG2 THR A 57 11.701 -2.807 14.448 1.00 0.00 C ATOM 0 H THR A 57 10.492 0.517 14.574 1.00 0.00 H new ATOM 0 HA THR A 57 9.321 -2.192 14.356 1.00 0.00 H new ATOM 0 HB THR A 57 11.095 -2.272 16.446 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.851 -0.908 15.793 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.708 -3.092 14.751 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.068 -3.694 14.410 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.736 -2.344 13.462 1.00 0.00 H new ATOM 905 N VAL A 58 8.552 -2.416 16.894 1.00 0.00 N ATOM 906 CA VAL A 58 7.657 -2.409 18.087 1.00 0.00 C ATOM 907 C VAL A 58 8.255 -1.542 19.201 1.00 0.00 C ATOM 908 O VAL A 58 7.548 -0.973 20.005 1.00 0.00 O ATOM 909 CB VAL A 58 7.471 -3.855 18.566 1.00 0.00 C ATOM 910 CG1 VAL A 58 7.249 -3.908 20.080 1.00 0.00 C ATOM 911 CG2 VAL A 58 6.252 -4.445 17.858 1.00 0.00 C ATOM 0 H VAL A 58 8.928 -3.331 16.646 1.00 0.00 H new ATOM 0 HA VAL A 58 6.689 -1.984 17.821 1.00 0.00 H new ATOM 0 HB VAL A 58 8.370 -4.426 18.333 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.120 -4.944 20.393 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.112 -3.480 20.590 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.356 -3.338 20.337 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.103 -5.474 18.186 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.369 -3.855 18.102 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.413 -4.427 16.780 1.00 0.00 H new ATOM 921 N GLN A 59 9.547 -1.427 19.263 1.00 0.00 N ATOM 922 CA GLN A 59 10.161 -0.588 20.333 1.00 0.00 C ATOM 923 C GLN A 59 10.274 0.855 19.845 1.00 0.00 C ATOM 924 O GLN A 59 11.006 1.658 20.390 1.00 0.00 O ATOM 925 CB GLN A 59 11.552 -1.113 20.631 1.00 0.00 C ATOM 926 CG GLN A 59 11.617 -1.606 22.077 1.00 0.00 C ATOM 927 CD GLN A 59 11.953 -0.436 23.005 1.00 0.00 C ATOM 928 OE1 GLN A 59 11.184 -0.105 23.886 1.00 0.00 O ATOM 929 NE2 GLN A 59 13.076 0.208 22.845 1.00 0.00 N ATOM 0 H GLN A 59 10.206 -1.873 18.625 1.00 0.00 H new ATOM 0 HA GLN A 59 9.542 -0.627 21.230 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.799 -1.926 19.948 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.290 -0.327 20.471 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.663 -2.048 22.364 1.00 0.00 H new ATOM 0 HG3 GLN A 59 12.372 -2.387 22.172 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.722 -0.069 22.106 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.308 0.989 23.459 1.00 0.00 H new ATOM 938 N ASN A 60 9.551 1.179 18.822 1.00 0.00 N ATOM 939 CA ASN A 60 9.594 2.566 18.270 1.00 0.00 C ATOM 940 C ASN A 60 8.592 3.430 19.026 1.00 0.00 C ATOM 941 O ASN A 60 8.940 4.401 19.667 1.00 0.00 O ATOM 942 CB ASN A 60 9.226 2.535 16.784 1.00 0.00 C ATOM 943 CG ASN A 60 9.440 3.922 16.174 1.00 0.00 C ATOM 944 OD1 ASN A 60 10.358 4.124 15.402 1.00 0.00 O ATOM 945 ND2 ASN A 60 8.626 4.892 16.489 1.00 0.00 N ATOM 0 H ASN A 60 8.923 0.541 18.333 1.00 0.00 H new ATOM 0 HA ASN A 60 10.596 2.979 18.383 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.838 1.799 16.263 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.187 2.229 16.662 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.759 5.820 16.088 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.856 4.722 17.136 1.00 0.00 H new ATOM 952 N CYS A 61 7.346 3.056 18.969 1.00 0.00 N ATOM 953 CA CYS A 61 6.297 3.813 19.698 1.00 0.00 C ATOM 954 C CYS A 61 6.449 3.527 21.190 1.00 0.00 C ATOM 955 O CYS A 61 5.786 4.122 22.014 1.00 0.00 O ATOM 956 CB CYS A 61 4.917 3.354 19.235 1.00 0.00 C ATOM 957 SG CYS A 61 3.697 4.642 19.598 1.00 0.00 S ATOM 0 H CYS A 61 7.008 2.250 18.443 1.00 0.00 H new ATOM 0 HA CYS A 61 6.402 4.880 19.502 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.932 3.144 18.166 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.643 2.427 19.738 1.00 0.00 H new ATOM 0 HG CYS A 61 3.907 5.114 20.791 1.00 0.00 H new ATOM 963 N ASP A 62 7.293 2.577 21.522 1.00 0.00 N ATOM 964 CA ASP A 62 7.491 2.179 22.941 1.00 0.00 C ATOM 965 C ASP A 62 6.497 1.064 23.231 1.00 0.00 C ATOM 966 O ASP A 62 5.974 0.939 24.321 1.00 0.00 O ATOM 967 CB ASP A 62 7.246 3.363 23.880 1.00 0.00 C ATOM 968 CG ASP A 62 8.089 3.197 25.146 1.00 0.00 C ATOM 969 OD1 ASP A 62 9.145 2.593 25.056 1.00 0.00 O ATOM 970 OD2 ASP A 62 7.664 3.676 26.185 1.00 0.00 O ATOM 0 H ASP A 62 7.859 2.056 20.853 1.00 0.00 H new ATOM 0 HA ASP A 62 8.516 1.845 23.104 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.503 4.296 23.379 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.189 3.421 24.140 1.00 0.00 H new ATOM 975 N LEU A 63 6.230 0.254 22.241 1.00 0.00 N ATOM 976 CA LEU A 63 5.261 -0.862 22.429 1.00 0.00 C ATOM 977 C LEU A 63 5.915 -1.979 23.227 1.00 0.00 C ATOM 978 O LEU A 63 5.442 -2.378 24.272 1.00 0.00 O ATOM 979 CB LEU A 63 4.873 -1.399 21.079 1.00 0.00 C ATOM 980 CG LEU A 63 4.265 -0.268 20.288 1.00 0.00 C ATOM 981 CD1 LEU A 63 5.090 -0.054 19.035 1.00 0.00 C ATOM 982 CD2 LEU A 63 2.834 -0.644 19.947 1.00 0.00 C ATOM 0 H LEU A 63 6.642 0.318 21.310 1.00 0.00 H new ATOM 0 HA LEU A 63 4.383 -0.496 22.962 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.745 -1.800 20.563 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.161 -2.217 21.184 1.00 0.00 H new ATOM 0 HG LEU A 63 4.259 0.660 20.859 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.662 0.762 18.452 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.114 0.196 19.312 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.088 -0.966 18.438 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.373 0.161 19.374 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.829 -1.560 19.356 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.271 -0.803 20.866 1.00 0.00 H new ATOM 994 N GLU A 64 7.002 -2.499 22.726 1.00 0.00 N ATOM 995 CA GLU A 64 7.690 -3.607 23.438 1.00 0.00 C ATOM 996 C GLU A 64 6.672 -4.700 23.741 1.00 0.00 C ATOM 997 O GLU A 64 5.656 -4.817 23.086 1.00 0.00 O ATOM 998 CB GLU A 64 8.268 -3.081 24.750 1.00 0.00 C ATOM 999 CG GLU A 64 9.112 -1.834 24.484 1.00 0.00 C ATOM 1000 CD GLU A 64 9.215 -1.008 25.767 1.00 0.00 C ATOM 1001 OE1 GLU A 64 8.780 -1.495 26.798 1.00 0.00 O ATOM 1002 OE2 GLU A 64 9.725 0.097 25.698 1.00 0.00 O ATOM 0 H GLU A 64 7.442 -2.203 21.854 1.00 0.00 H new ATOM 0 HA GLU A 64 8.494 -4.006 22.819 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.461 -2.844 25.444 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.879 -3.850 25.223 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.106 -2.121 24.142 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.661 -1.239 23.690 1.00 0.00 H new ATOM 1009 N GLN A 65 6.920 -5.478 24.751 1.00 0.00 N ATOM 1010 CA GLN A 65 5.944 -6.541 25.123 1.00 0.00 C ATOM 1011 C GLN A 65 5.038 -5.960 26.206 1.00 0.00 C ATOM 1012 O GLN A 65 5.476 -5.172 27.021 1.00 0.00 O ATOM 1013 CB GLN A 65 6.667 -7.786 25.653 1.00 0.00 C ATOM 1014 CG GLN A 65 8.167 -7.520 25.798 1.00 0.00 C ATOM 1015 CD GLN A 65 8.413 -6.719 27.078 1.00 0.00 C ATOM 1016 OE1 GLN A 65 7.760 -6.938 28.078 1.00 0.00 O ATOM 1017 NE2 GLN A 65 9.332 -5.793 27.091 1.00 0.00 N ATOM 0 H GLN A 65 7.754 -5.427 25.336 1.00 0.00 H new ATOM 0 HA GLN A 65 5.367 -6.847 24.251 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.249 -8.072 26.618 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.505 -8.623 24.974 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.714 -8.462 25.833 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.536 -6.969 24.933 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.881 -5.608 26.252 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.501 -5.254 27.940 1.00 0.00 H new ATOM 1026 N GLN A 66 3.775 -6.283 26.207 1.00 0.00 N ATOM 1027 CA GLN A 66 2.880 -5.672 27.220 1.00 0.00 C ATOM 1028 C GLN A 66 2.692 -4.220 26.786 1.00 0.00 C ATOM 1029 O GLN A 66 3.597 -3.414 26.876 1.00 0.00 O ATOM 1030 CB GLN A 66 3.540 -5.721 28.600 1.00 0.00 C ATOM 1031 CG GLN A 66 2.574 -6.339 29.613 1.00 0.00 C ATOM 1032 CD GLN A 66 3.178 -6.247 31.016 1.00 0.00 C ATOM 1033 OE1 GLN A 66 4.112 -6.955 31.336 1.00 0.00 O ATOM 1034 NE2 GLN A 66 2.682 -5.396 31.870 1.00 0.00 N ATOM 0 H GLN A 66 3.331 -6.934 25.559 1.00 0.00 H new ATOM 0 HA GLN A 66 1.929 -6.201 27.288 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.458 -6.307 28.554 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.819 -4.716 28.916 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.617 -5.819 29.583 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.379 -7.380 29.357 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.898 -4.802 31.601 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.078 -5.324 32.807 1.00 0.00 H new ATOM 1043 N SER A 67 1.550 -3.890 26.270 1.00 0.00 N ATOM 1044 CA SER A 67 1.324 -2.514 25.774 1.00 0.00 C ATOM 1045 C SER A 67 -0.118 -2.440 25.353 1.00 0.00 C ATOM 1046 O SER A 67 -0.613 -3.304 24.666 1.00 0.00 O ATOM 1047 CB SER A 67 2.220 -2.274 24.567 1.00 0.00 C ATOM 1048 OG SER A 67 2.844 -1.002 24.681 1.00 0.00 O ATOM 0 H SER A 67 0.755 -4.521 26.170 1.00 0.00 H new ATOM 0 HA SER A 67 1.549 -1.767 26.536 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.976 -3.056 24.501 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.632 -2.321 23.650 1.00 0.00 H new ATOM 0 HG SER A 67 2.175 -0.297 24.557 1.00 0.00 H new ATOM 1054 N ILE A 68 -0.821 -1.445 25.756 1.00 0.00 N ATOM 1055 CA ILE A 68 -2.222 -1.405 25.362 1.00 0.00 C ATOM 1056 C ILE A 68 -2.294 -0.791 23.968 1.00 0.00 C ATOM 1057 O ILE A 68 -1.944 0.352 23.749 1.00 0.00 O ATOM 1058 CB ILE A 68 -2.960 -0.577 26.400 1.00 0.00 C ATOM 1059 CG1 ILE A 68 -3.662 -1.496 27.402 1.00 0.00 C ATOM 1060 CG2 ILE A 68 -3.983 0.293 25.704 1.00 0.00 C ATOM 1061 CD1 ILE A 68 -2.761 -2.691 27.759 1.00 0.00 C ATOM 0 H ILE A 68 -0.490 -0.671 26.332 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.682 -2.392 25.319 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.247 0.049 26.936 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.910 -0.938 28.305 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.601 -1.854 26.980 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.516 0.890 26.444 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.479 0.954 24.999 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.692 -0.337 25.167 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.276 -3.334 28.473 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.535 -3.259 26.856 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.833 -2.328 28.201 1.00 0.00 H new ATOM 1073 N VAL A 69 -2.715 -1.577 23.020 1.00 0.00 N ATOM 1074 CA VAL A 69 -2.788 -1.109 21.616 1.00 0.00 C ATOM 1075 C VAL A 69 -4.254 -0.933 21.219 1.00 0.00 C ATOM 1076 O VAL A 69 -5.144 -1.443 21.867 1.00 0.00 O ATOM 1077 CB VAL A 69 -2.154 -2.142 20.679 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -0.915 -1.543 20.014 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -1.756 -3.401 21.452 1.00 0.00 C ATOM 0 H VAL A 69 -3.016 -2.541 23.164 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.252 -0.163 21.534 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.887 -2.413 19.919 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.467 -2.281 19.348 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.201 -0.662 19.439 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.193 -1.259 20.779 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.308 -4.122 20.768 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.035 -3.140 22.227 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.641 -3.840 21.913 1.00 0.00 H new ATOM 1089 N HIS A 70 -4.518 -0.226 20.160 1.00 0.00 N ATOM 1090 CA HIS A 70 -5.931 -0.037 19.736 1.00 0.00 C ATOM 1091 C HIS A 70 -6.096 -0.468 18.273 1.00 0.00 C ATOM 1092 O HIS A 70 -5.664 0.212 17.365 1.00 0.00 O ATOM 1093 CB HIS A 70 -6.296 1.441 19.883 1.00 0.00 C ATOM 1094 CG HIS A 70 -7.755 1.644 19.581 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -8.603 1.031 18.694 1.00 0.00 N flip ATOM 1096 CD2 HIS A 70 -8.515 2.602 20.232 1.00 0.00 C flip ATOM 1097 CE1 HIS A 70 -9.872 1.599 18.790 1.00 0.00 C flip ATOM 1098 NE2 HIS A 70 -9.762 2.540 19.731 1.00 0.00 N flip ATOM 0 H HIS A 70 -3.820 0.228 19.571 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.588 -0.644 20.359 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.075 1.779 20.895 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.689 2.043 19.206 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.169 3.276 21.002 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.754 1.335 18.225 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.530 3.139 20.033 1.00 0.00 H new ATOM 1106 N ILE A 71 -6.731 -1.589 18.041 1.00 0.00 N ATOM 1107 CA ILE A 71 -6.941 -2.061 16.649 1.00 0.00 C ATOM 1108 C ILE A 71 -8.198 -1.404 16.082 1.00 0.00 C ATOM 1109 O ILE A 71 -9.178 -1.210 16.776 1.00 0.00 O ATOM 1110 CB ILE A 71 -7.061 -3.591 16.625 1.00 0.00 C ATOM 1111 CG1 ILE A 71 -8.490 -4.011 16.345 1.00 0.00 C ATOM 1112 CG2 ILE A 71 -6.591 -4.204 17.934 1.00 0.00 C ATOM 1113 CD1 ILE A 71 -8.605 -4.296 14.855 1.00 0.00 C ATOM 0 H ILE A 71 -7.114 -2.198 18.765 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.088 -1.782 16.031 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.418 -3.957 15.824 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.749 -4.897 16.925 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.184 -3.224 16.639 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.689 -5.288 17.884 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.547 -3.942 18.104 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.200 -3.822 18.754 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.625 -4.602 14.621 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.358 -3.396 14.292 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.915 -5.095 14.583 1.00 0.00 H new ATOM 1125 N VAL A 72 -8.184 -1.056 14.832 1.00 0.00 N ATOM 1126 CA VAL A 72 -9.385 -0.417 14.235 1.00 0.00 C ATOM 1127 C VAL A 72 -9.549 -0.883 12.788 1.00 0.00 C ATOM 1128 O VAL A 72 -8.600 -0.945 12.030 1.00 0.00 O ATOM 1129 CB VAL A 72 -9.230 1.105 14.275 1.00 0.00 C ATOM 1130 CG1 VAL A 72 -9.569 1.689 12.903 1.00 0.00 C ATOM 1131 CG2 VAL A 72 -10.180 1.682 15.328 1.00 0.00 C ATOM 0 H VAL A 72 -7.396 -1.185 14.197 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.269 -0.703 14.806 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.202 1.362 14.532 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.459 2.773 12.932 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.893 1.275 12.154 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -10.597 1.436 12.644 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.073 2.766 15.360 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.208 1.426 15.070 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.937 1.265 16.305 1.00 0.00 H new ATOM 1141 N GLN A 73 -10.753 -1.212 12.404 1.00 0.00 N ATOM 1142 CA GLN A 73 -11.002 -1.675 11.009 1.00 0.00 C ATOM 1143 C GLN A 73 -11.746 -0.573 10.253 1.00 0.00 C ATOM 1144 O GLN A 73 -12.788 -0.115 10.680 1.00 0.00 O ATOM 1145 CB GLN A 73 -11.857 -2.946 11.038 1.00 0.00 C ATOM 1146 CG GLN A 73 -12.028 -3.485 9.616 1.00 0.00 C ATOM 1147 CD GLN A 73 -13.435 -4.063 9.451 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -13.602 -5.139 8.915 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -14.461 -3.388 9.892 1.00 0.00 N ATOM 0 H GLN A 73 -11.580 -1.180 13.001 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.056 -1.892 10.513 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.385 -3.699 11.668 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.832 -2.730 11.475 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.865 -2.687 8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.282 -4.254 9.416 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.321 -2.484 10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.403 -3.765 9.786 1.00 0.00 H new