USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 743 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 69 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 105 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 5 GLN : amide:sc= 0.0462 K(o=-3.2,f=-3.8) USER MOD Set 2.2: A 65 CYS SG : rot 83:sc= -3.25! USER MOD Set 3.1: A 40 ASN : amide:sc= 0.111 K(o=0.11,f=-2.1!) USER MOD Set 3.2: A 42 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 11 LYS NZ :NH3+ -157:sc= 0.642 (180deg=0) USER MOD Set 4.2: A 14 GLN : amide:sc= -0.782! K(o=-0.14!,f=-2.3) USER MOD Set 5.1: A 12 CYS SG : rot 76:sc= -3.65! USER MOD Set 5.2: A 50 CYS SG : rot -63:sc= -3.15! USER MOD Single : A 1 ALA N :NH3+ 133:sc= 0.0109 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.16) USER MOD Single : A 19 SER OG : rot 71:sc= -0.531 USER MOD Single : A 20 CYS SG : rot -54:sc= -13.4! USER MOD Single : A 21 ASN : amide:sc= 1.11 K(o=1.1,f=-0.11) USER MOD Single : A 22 SER OG : rot 80:sc= 1.29 USER MOD Single : A 26 SER OG : rot 84:sc= -0.896 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -154:sc= 0.574 USER MOD Single : A 36 TYR OH : rot -97:sc= 0.0299 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 43 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.24) USER MOD Single : A 44 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 45 THR OG1 : rot 111:sc= 0.7 USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= 1.06 (180deg=1) USER MOD Single : A 51 TYR OH : rot 180:sc= -4.48! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 67:sc= 1.11 USER MOD Single : A 60 LYS NZ :NH3+ -149:sc= -0.288 (180deg=-1.1!) USER MOD Single : A 61 SER OG : rot 40:sc= 0.0313 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 147:sc= -0.795 (180deg=-1.08) USER MOD Single : A 73 THR OG1 : rot 168:sc= 0.713 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot -5:sc= -2.14! USER MOD Single : A 78 SER OG : rot -97:sc= 0.27 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -172:sc= -0.0493 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 106:sc= 0.14 USER MOD Single : A 86 HIS : no HE2:sc= -0.635! C(o=-0.63!,f=-4.2!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00494 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 94 GLN : amide:sc= -1.68! X(o=-1.7!,f=-1.3) USER MOD Single : A 99 SER OG : rot 86:sc= 1.3 USER MOD Single : A 101 LYS NZ :NH3+ -148:sc= -1.12 (180deg=-3.48!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.661 K(o=0.66,f=-0.033) USER MOD Single : A 104 TYR OH : rot -163:sc= -0.418! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.310 11.987 -6.747 1.00 0.54 N ATOM 2 CA ALA A 1 -2.888 10.642 -6.526 1.00 0.39 C ATOM 3 C ALA A 1 -4.406 10.710 -6.521 1.00 0.35 C ATOM 4 O ALA A 1 -4.998 11.639 -5.977 1.00 0.37 O ATOM 5 CB ALA A 1 -2.369 10.053 -5.228 1.00 0.28 C ATOM 0 H1 ALA A 1 -1.552 12.157 -6.056 1.00 0.54 H new ATOM 0 H2 ALA A 1 -1.920 12.044 -7.710 1.00 0.54 H new ATOM 0 H3 ALA A 1 -3.052 12.707 -6.631 1.00 0.54 H new ATOM 0 HA ALA A 1 -2.581 9.991 -7.344 1.00 0.39 H new ATOM 0 HB1 ALA A 1 -2.802 9.064 -5.078 1.00 0.28 H new ATOM 0 HB2 ALA A 1 -1.283 9.970 -5.275 1.00 0.28 H new ATOM 0 HB3 ALA A 1 -2.648 10.701 -4.397 1.00 0.28 H new ATOM 13 N PRO A 2 -5.049 9.736 -7.175 1.00 0.34 N ATOM 14 CA PRO A 2 -6.505 9.648 -7.275 1.00 0.34 C ATOM 15 C PRO A 2 -7.167 9.204 -5.986 1.00 0.28 C ATOM 16 O PRO A 2 -8.244 9.681 -5.637 1.00 0.28 O ATOM 17 CB PRO A 2 -6.725 8.584 -8.346 1.00 0.39 C ATOM 18 CG PRO A 2 -5.402 8.434 -9.012 1.00 0.45 C ATOM 19 CD PRO A 2 -4.412 8.658 -7.923 1.00 0.39 C ATOM 0 HA PRO A 2 -6.939 10.622 -7.502 1.00 0.34 H new ATOM 0 HB2 PRO A 2 -7.055 7.643 -7.906 1.00 0.39 H new ATOM 0 HB3 PRO A 2 -7.493 8.891 -9.056 1.00 0.39 H new ATOM 0 HG2 PRO A 2 -5.290 7.444 -9.454 1.00 0.45 H new ATOM 0 HG3 PRO A 2 -5.278 9.158 -9.817 1.00 0.45 H new ATOM 0 HD2 PRO A 2 -4.263 7.767 -7.313 1.00 0.39 H new ATOM 0 HD3 PRO A 2 -3.435 8.947 -8.309 1.00 0.39 H new ATOM 27 N THR A 3 -6.532 8.276 -5.288 1.00 0.27 N ATOM 28 CA THR A 3 -7.094 7.742 -4.064 1.00 0.24 C ATOM 29 C THR A 3 -6.097 7.837 -2.920 1.00 0.19 C ATOM 30 O THR A 3 -4.899 8.032 -3.152 1.00 0.19 O ATOM 31 CB THR A 3 -7.533 6.286 -4.249 1.00 0.31 C ATOM 32 OG1 THR A 3 -6.404 5.473 -4.606 1.00 0.34 O ATOM 33 CG2 THR A 3 -8.599 6.186 -5.330 1.00 0.37 C ATOM 0 H THR A 3 -5.629 7.880 -5.550 1.00 0.27 H new ATOM 0 HA THR A 3 -7.970 8.343 -3.817 1.00 0.24 H new ATOM 0 HB THR A 3 -7.951 5.928 -3.308 1.00 0.31 H new ATOM 0 HG1 THR A 3 -6.693 4.544 -4.721 1.00 0.34 H new ATOM 0 HG21 THR A 3 -8.900 5.145 -5.449 1.00 0.37 H new ATOM 0 HG22 THR A 3 -9.465 6.784 -5.044 1.00 0.37 H new ATOM 0 HG23 THR A 3 -8.197 6.558 -6.273 1.00 0.37 H new ATOM 41 N LEU A 4 -6.583 7.702 -1.693 1.00 0.16 N ATOM 42 CA LEU A 4 -5.733 7.868 -0.519 1.00 0.15 C ATOM 43 C LEU A 4 -4.615 6.821 -0.491 1.00 0.18 C ATOM 44 O LEU A 4 -3.532 7.058 0.045 1.00 0.24 O ATOM 45 CB LEU A 4 -6.575 7.833 0.769 1.00 0.13 C ATOM 46 CG LEU A 4 -5.778 7.904 2.067 1.00 0.12 C ATOM 47 CD1 LEU A 4 -5.136 9.270 2.202 1.00 0.09 C ATOM 48 CD2 LEU A 4 -6.666 7.604 3.263 1.00 0.15 C ATOM 0 H LEU A 4 -7.556 7.479 -1.484 1.00 0.16 H new ATOM 0 HA LEU A 4 -5.256 8.846 -0.579 1.00 0.15 H new ATOM 0 HB2 LEU A 4 -7.278 8.665 0.747 1.00 0.13 H new ATOM 0 HB3 LEU A 4 -7.165 6.917 0.773 1.00 0.13 H new ATOM 0 HG LEU A 4 -4.993 7.149 2.038 1.00 0.12 H new ATOM 0 HD11 LEU A 4 -4.568 9.315 3.131 1.00 0.09 H new ATOM 0 HD12 LEU A 4 -4.467 9.442 1.359 1.00 0.09 H new ATOM 0 HD13 LEU A 4 -5.911 10.037 2.213 1.00 0.09 H new ATOM 0 HD21 LEU A 4 -6.076 7.660 4.178 1.00 0.15 H new ATOM 0 HD22 LEU A 4 -7.475 8.333 3.308 1.00 0.15 H new ATOM 0 HD23 LEU A 4 -7.085 6.603 3.163 1.00 0.15 H new ATOM 60 N GLN A 5 -4.862 5.679 -1.117 1.00 0.17 N ATOM 61 CA GLN A 5 -3.875 4.616 -1.165 1.00 0.22 C ATOM 62 C GLN A 5 -2.841 4.882 -2.260 1.00 0.22 C ATOM 63 O GLN A 5 -1.695 4.457 -2.145 1.00 0.25 O ATOM 64 CB GLN A 5 -4.566 3.274 -1.379 1.00 0.29 C ATOM 65 CG GLN A 5 -3.688 2.072 -1.051 1.00 0.55 C ATOM 66 CD GLN A 5 -3.307 1.250 -2.270 1.00 0.67 C ATOM 67 OE1 GLN A 5 -4.021 0.325 -2.661 1.00 1.58 O ATOM 68 NE2 GLN A 5 -2.165 1.557 -2.858 1.00 0.73 N ATOM 0 H GLN A 5 -5.737 5.467 -1.597 1.00 0.17 H new ATOM 0 HA GLN A 5 -3.346 4.586 -0.212 1.00 0.22 H new ATOM 0 HB2 GLN A 5 -5.464 3.236 -0.762 1.00 0.29 H new ATOM 0 HB3 GLN A 5 -4.889 3.204 -2.418 1.00 0.29 H new ATOM 0 HG2 GLN A 5 -2.780 2.419 -0.558 1.00 0.55 H new ATOM 0 HG3 GLN A 5 -4.212 1.432 -0.340 1.00 0.55 H new ATOM 0 HE21 GLN A 5 -1.601 2.330 -2.505 1.00 0.73 H new ATOM 0 HE22 GLN A 5 -1.847 1.021 -3.665 1.00 0.73 H new ATOM 77 N GLU A 6 -3.232 5.600 -3.312 1.00 0.23 N ATOM 78 CA GLU A 6 -2.266 6.014 -4.329 1.00 0.24 C ATOM 79 C GLU A 6 -1.354 7.077 -3.746 1.00 0.23 C ATOM 80 O GLU A 6 -0.194 7.196 -4.123 1.00 0.24 O ATOM 81 CB GLU A 6 -2.939 6.569 -5.580 1.00 0.30 C ATOM 82 CG GLU A 6 -1.948 6.890 -6.684 1.00 0.34 C ATOM 83 CD GLU A 6 -1.430 5.674 -7.403 1.00 0.95 C ATOM 84 OE1 GLU A 6 -2.210 5.051 -8.148 1.00 1.11 O ATOM 85 OE2 GLU A 6 -0.235 5.364 -7.260 1.00 1.70 O ATOM 0 H GLU A 6 -4.191 5.902 -3.481 1.00 0.23 H new ATOM 0 HA GLU A 6 -1.700 5.130 -4.622 1.00 0.24 H new ATOM 0 HB2 GLU A 6 -3.665 5.845 -5.949 1.00 0.30 H new ATOM 0 HB3 GLU A 6 -3.492 7.471 -5.320 1.00 0.30 H new ATOM 0 HG2 GLU A 6 -2.424 7.553 -7.406 1.00 0.34 H new ATOM 0 HG3 GLU A 6 -1.106 7.435 -6.257 1.00 0.34 H new ATOM 92 N ALA A 7 -1.900 7.851 -2.816 1.00 0.22 N ATOM 93 CA ALA A 7 -1.115 8.846 -2.100 1.00 0.22 C ATOM 94 C ALA A 7 -0.059 8.134 -1.277 1.00 0.19 C ATOM 95 O ALA A 7 1.022 8.665 -1.014 1.00 0.19 O ATOM 96 CB ALA A 7 -2.017 9.700 -1.218 1.00 0.24 C ATOM 0 H ALA A 7 -2.881 7.808 -2.541 1.00 0.22 H new ATOM 0 HA ALA A 7 -0.625 9.513 -2.809 1.00 0.22 H new ATOM 0 HB1 ALA A 7 -1.415 10.439 -0.689 1.00 0.24 H new ATOM 0 HB2 ALA A 7 -2.755 10.209 -1.838 1.00 0.24 H new ATOM 0 HB3 ALA A 7 -2.527 9.064 -0.495 1.00 0.24 H new ATOM 102 N LEU A 8 -0.383 6.908 -0.894 1.00 0.17 N ATOM 103 CA LEU A 8 0.560 6.046 -0.222 1.00 0.15 C ATOM 104 C LEU A 8 1.614 5.543 -1.194 1.00 0.15 C ATOM 105 O LEU A 8 2.799 5.597 -0.904 1.00 0.16 O ATOM 106 CB LEU A 8 -0.141 4.864 0.401 1.00 0.15 C ATOM 107 CG LEU A 8 -1.050 5.177 1.566 1.00 0.12 C ATOM 108 CD1 LEU A 8 -1.357 3.905 2.314 1.00 0.15 C ATOM 109 CD2 LEU A 8 -0.415 6.188 2.490 1.00 0.12 C ATOM 0 H LEU A 8 -1.302 6.491 -1.042 1.00 0.17 H new ATOM 0 HA LEU A 8 1.040 6.632 0.562 1.00 0.15 H new ATOM 0 HB2 LEU A 8 -0.729 4.366 -0.370 1.00 0.15 H new ATOM 0 HB3 LEU A 8 0.614 4.152 0.735 1.00 0.15 H new ATOM 0 HG LEU A 8 -1.976 5.608 1.185 1.00 0.12 H new ATOM 0 HD11 LEU A 8 -2.013 4.127 3.156 1.00 0.15 H new ATOM 0 HD12 LEU A 8 -1.851 3.200 1.645 1.00 0.15 H new ATOM 0 HD13 LEU A 8 -0.430 3.467 2.683 1.00 0.15 H new ATOM 0 HD21 LEU A 8 -1.090 6.396 3.320 1.00 0.12 H new ATOM 0 HD22 LEU A 8 0.523 5.789 2.876 1.00 0.12 H new ATOM 0 HD23 LEU A 8 -0.219 7.110 1.942 1.00 0.12 H new ATOM 121 N ASP A 9 1.160 5.048 -2.342 1.00 0.15 N ATOM 122 CA ASP A 9 2.046 4.589 -3.416 1.00 0.15 C ATOM 123 C ASP A 9 2.988 5.710 -3.831 1.00 0.15 C ATOM 124 O ASP A 9 4.104 5.480 -4.292 1.00 0.15 O ATOM 125 CB ASP A 9 1.221 4.149 -4.637 1.00 0.20 C ATOM 126 CG ASP A 9 0.458 2.859 -4.408 1.00 0.97 C ATOM 127 OD1 ASP A 9 0.466 2.355 -3.265 1.00 1.34 O ATOM 128 OD2 ASP A 9 -0.157 2.348 -5.368 1.00 1.61 O ATOM 0 H ASP A 9 0.168 4.952 -2.557 1.00 0.15 H new ATOM 0 HA ASP A 9 2.624 3.743 -3.046 1.00 0.15 H new ATOM 0 HB2 ASP A 9 0.516 4.939 -4.895 1.00 0.20 H new ATOM 0 HB3 ASP A 9 1.886 4.023 -5.491 1.00 0.20 H new ATOM 133 N ARG A 10 2.517 6.924 -3.638 1.00 0.17 N ATOM 134 CA ARG A 10 3.248 8.120 -4.002 1.00 0.20 C ATOM 135 C ARG A 10 4.266 8.445 -2.921 1.00 0.19 C ATOM 136 O ARG A 10 5.379 8.881 -3.208 1.00 0.24 O ATOM 137 CB ARG A 10 2.234 9.244 -4.161 1.00 0.25 C ATOM 138 CG ARG A 10 2.607 10.298 -5.164 1.00 0.67 C ATOM 139 CD ARG A 10 1.403 10.630 -6.003 1.00 0.64 C ATOM 140 NE ARG A 10 1.728 11.511 -7.118 1.00 1.02 N ATOM 141 CZ ARG A 10 1.498 11.210 -8.391 1.00 1.80 C ATOM 142 NH1 ARG A 10 1.040 10.007 -8.718 1.00 2.60 N ATOM 143 NH2 ARG A 10 1.765 12.095 -9.338 1.00 2.10 N ATOM 0 H ARG A 10 1.606 7.110 -3.219 1.00 0.17 H new ATOM 0 HA ARG A 10 3.793 7.982 -4.936 1.00 0.20 H new ATOM 0 HB2 ARG A 10 1.276 8.811 -4.450 1.00 0.25 H new ATOM 0 HB3 ARG A 10 2.088 9.721 -3.192 1.00 0.25 H new ATOM 0 HG2 ARG A 10 2.967 11.191 -4.654 1.00 0.67 H new ATOM 0 HG3 ARG A 10 3.420 9.943 -5.797 1.00 0.67 H new ATOM 0 HD2 ARG A 10 0.966 9.708 -6.387 1.00 0.64 H new ATOM 0 HD3 ARG A 10 0.647 11.104 -5.377 1.00 0.64 H new ATOM 0 HE ARG A 10 2.158 12.412 -6.908 1.00 1.02 H new ATOM 0 HH11 ARG A 10 0.865 9.313 -7.991 1.00 2.60 H new ATOM 0 HH12 ARG A 10 0.864 9.777 -9.696 1.00 2.60 H new ATOM 0 HH21 ARG A 10 2.147 13.008 -9.090 1.00 2.10 H new ATOM 0 HH22 ARG A 10 1.589 11.864 -10.316 1.00 2.10 H new ATOM 157 N LYS A 11 3.882 8.198 -1.674 1.00 0.18 N ATOM 158 CA LYS A 11 4.798 8.317 -0.562 1.00 0.21 C ATOM 159 C LYS A 11 5.851 7.230 -0.697 1.00 0.18 C ATOM 160 O LYS A 11 7.036 7.435 -0.443 1.00 0.18 O ATOM 161 CB LYS A 11 4.063 8.173 0.757 1.00 0.26 C ATOM 162 CG LYS A 11 4.876 8.696 1.921 1.00 0.42 C ATOM 163 CD LYS A 11 5.416 10.078 1.618 1.00 0.52 C ATOM 164 CE LYS A 11 4.288 11.063 1.425 1.00 0.59 C ATOM 165 NZ LYS A 11 4.761 12.440 1.125 1.00 0.99 N ATOM 0 H LYS A 11 2.938 7.913 -1.414 1.00 0.18 H new ATOM 0 HA LYS A 11 5.267 9.301 -0.575 1.00 0.21 H new ATOM 0 HB2 LYS A 11 3.117 8.712 0.705 1.00 0.26 H new ATOM 0 HB3 LYS A 11 3.823 7.123 0.925 1.00 0.26 H new ATOM 0 HG2 LYS A 11 4.257 8.730 2.817 1.00 0.42 H new ATOM 0 HG3 LYS A 11 5.701 8.015 2.130 1.00 0.42 H new ATOM 0 HD2 LYS A 11 6.059 10.409 2.434 1.00 0.52 H new ATOM 0 HD3 LYS A 11 6.033 10.044 0.720 1.00 0.52 H new ATOM 0 HE2 LYS A 11 3.649 10.720 0.612 1.00 0.59 H new ATOM 0 HE3 LYS A 11 3.674 11.084 2.325 1.00 0.59 H new ATOM 0 HZ1 LYS A 11 4.022 13.125 1.382 1.00 0.99 H new ATOM 0 HZ2 LYS A 11 5.622 12.638 1.673 1.00 0.99 H new ATOM 0 HZ3 LYS A 11 4.971 12.522 0.110 1.00 0.99 H new ATOM 179 N CYS A 12 5.375 6.074 -1.136 1.00 0.16 N ATOM 180 CA CYS A 12 6.205 4.920 -1.424 1.00 0.14 C ATOM 181 C CYS A 12 7.228 5.227 -2.502 1.00 0.14 C ATOM 182 O CYS A 12 8.369 4.774 -2.428 1.00 0.14 O ATOM 183 CB CYS A 12 5.308 3.755 -1.835 1.00 0.13 C ATOM 184 SG CYS A 12 4.333 3.091 -0.470 1.00 0.15 S ATOM 0 H CYS A 12 4.382 5.912 -1.304 1.00 0.16 H new ATOM 0 HA CYS A 12 6.763 4.650 -0.527 1.00 0.14 H new ATOM 0 HB2 CYS A 12 4.635 4.085 -2.627 1.00 0.13 H new ATOM 0 HB3 CYS A 12 5.925 2.960 -2.252 1.00 0.13 H new ATOM 0 HG CYS A 12 3.340 3.891 -0.216 1.00 0.15 H new ATOM 190 N ALA A 13 6.833 6.022 -3.484 1.00 0.17 N ATOM 191 CA ALA A 13 7.726 6.387 -4.569 1.00 0.20 C ATOM 192 C ALA A 13 8.765 7.382 -4.073 1.00 0.21 C ATOM 193 O ALA A 13 9.854 7.498 -4.631 1.00 0.28 O ATOM 194 CB ALA A 13 6.935 6.950 -5.740 1.00 0.25 C ATOM 0 H ALA A 13 5.899 6.426 -3.551 1.00 0.17 H new ATOM 0 HA ALA A 13 8.248 5.496 -4.919 1.00 0.20 H new ATOM 0 HB1 ALA A 13 7.619 7.219 -6.545 1.00 0.25 H new ATOM 0 HB2 ALA A 13 6.230 6.199 -6.098 1.00 0.25 H new ATOM 0 HB3 ALA A 13 6.388 7.836 -5.417 1.00 0.25 H new ATOM 200 N GLN A 14 8.429 8.065 -2.988 1.00 0.20 N ATOM 201 CA GLN A 14 9.311 9.054 -2.390 1.00 0.23 C ATOM 202 C GLN A 14 10.406 8.395 -1.567 1.00 0.26 C ATOM 203 O GLN A 14 11.461 8.976 -1.348 1.00 0.43 O ATOM 204 CB GLN A 14 8.520 9.992 -1.504 1.00 0.24 C ATOM 205 CG GLN A 14 7.596 10.897 -2.286 1.00 0.26 C ATOM 206 CD GLN A 14 6.935 11.947 -1.417 1.00 0.32 C ATOM 207 OE1 GLN A 14 5.794 12.346 -1.653 1.00 0.87 O ATOM 208 NE2 GLN A 14 7.657 12.421 -0.413 1.00 1.07 N ATOM 0 H GLN A 14 7.541 7.949 -2.500 1.00 0.20 H new ATOM 0 HA GLN A 14 9.775 9.614 -3.202 1.00 0.23 H new ATOM 0 HB2 GLN A 14 7.934 9.407 -0.795 1.00 0.24 H new ATOM 0 HB3 GLN A 14 9.210 10.602 -0.921 1.00 0.24 H new ATOM 0 HG2 GLN A 14 8.160 11.389 -3.078 1.00 0.26 H new ATOM 0 HG3 GLN A 14 6.827 10.294 -2.770 1.00 0.26 H new ATOM 0 HE21 GLN A 14 8.599 12.065 -0.249 1.00 1.07 H new ATOM 0 HE22 GLN A 14 7.271 13.142 0.197 1.00 1.07 H new ATOM 217 N PHE A 15 10.122 7.201 -1.074 1.00 0.20 N ATOM 218 CA PHE A 15 11.091 6.441 -0.286 1.00 0.20 C ATOM 219 C PHE A 15 11.777 5.379 -1.136 1.00 0.19 C ATOM 220 O PHE A 15 13.007 5.325 -1.214 1.00 0.24 O ATOM 221 CB PHE A 15 10.413 5.759 0.902 1.00 0.21 C ATOM 222 CG PHE A 15 9.611 6.680 1.766 1.00 0.23 C ATOM 223 CD1 PHE A 15 10.155 7.870 2.205 1.00 0.36 C ATOM 224 CD2 PHE A 15 8.316 6.361 2.138 1.00 0.18 C ATOM 225 CE1 PHE A 15 9.431 8.724 3.002 1.00 0.42 C ATOM 226 CE2 PHE A 15 7.586 7.212 2.939 1.00 0.24 C ATOM 227 CZ PHE A 15 8.105 8.371 3.359 1.00 0.33 C ATOM 0 H PHE A 15 9.226 6.732 -1.204 1.00 0.20 H new ATOM 0 HA PHE A 15 11.836 7.149 0.077 1.00 0.20 H new ATOM 0 HB2 PHE A 15 9.760 4.970 0.529 1.00 0.21 H new ATOM 0 HB3 PHE A 15 11.176 5.278 1.514 1.00 0.21 H new ATOM 0 HD1 PHE A 15 11.162 8.133 1.919 1.00 0.36 H new ATOM 0 HD2 PHE A 15 7.874 5.436 1.797 1.00 0.18 H new ATOM 0 HE1 PHE A 15 9.865 9.649 3.351 1.00 0.42 H new ATOM 0 HE2 PHE A 15 6.583 6.940 3.231 1.00 0.24 H new ATOM 0 HZ PHE A 15 7.514 9.038 3.970 1.00 0.33 H new ATOM 237 N GLY A 16 10.967 4.525 -1.758 1.00 0.15 N ATOM 238 CA GLY A 16 11.482 3.449 -2.574 1.00 0.15 C ATOM 239 C GLY A 16 12.430 3.946 -3.633 1.00 0.15 C ATOM 240 O GLY A 16 13.599 3.597 -3.657 1.00 0.18 O ATOM 0 H GLY A 16 9.949 4.565 -1.707 1.00 0.15 H new ATOM 0 HA2 GLY A 16 11.995 2.726 -1.939 1.00 0.15 H new ATOM 0 HA3 GLY A 16 10.652 2.925 -3.048 1.00 0.15 H new ATOM 244 N LYS A 17 11.933 4.809 -4.483 1.00 0.18 N ATOM 245 CA LYS A 17 12.697 5.287 -5.613 1.00 0.23 C ATOM 246 C LYS A 17 13.749 6.282 -5.156 1.00 0.28 C ATOM 247 O LYS A 17 14.675 6.584 -5.890 1.00 0.34 O ATOM 248 CB LYS A 17 11.748 5.908 -6.612 1.00 0.28 C ATOM 249 CG LYS A 17 10.508 5.058 -6.828 1.00 0.28 C ATOM 250 CD LYS A 17 10.763 3.888 -7.734 1.00 0.27 C ATOM 251 CE LYS A 17 10.778 4.384 -9.147 1.00 0.90 C ATOM 252 NZ LYS A 17 9.443 4.290 -9.787 1.00 1.24 N ATOM 0 H LYS A 17 10.993 5.200 -4.414 1.00 0.18 H new ATOM 0 HA LYS A 17 13.220 4.457 -6.089 1.00 0.23 H new ATOM 0 HB2 LYS A 17 11.452 6.898 -6.263 1.00 0.28 H new ATOM 0 HB3 LYS A 17 12.263 6.046 -7.563 1.00 0.28 H new ATOM 0 HG2 LYS A 17 10.148 4.696 -5.865 1.00 0.28 H new ATOM 0 HG3 LYS A 17 9.717 5.676 -7.252 1.00 0.28 H new ATOM 0 HD2 LYS A 17 11.714 3.416 -7.487 1.00 0.27 H new ATOM 0 HD3 LYS A 17 9.989 3.132 -7.605 1.00 0.27 H new ATOM 0 HE2 LYS A 17 11.115 5.421 -9.163 1.00 0.90 H new ATOM 0 HE3 LYS A 17 11.498 3.806 -9.726 1.00 0.90 H new ATOM 0 HZ1 LYS A 17 9.437 4.851 -10.663 1.00 1.24 H new ATOM 0 HZ2 LYS A 17 9.235 3.296 -10.012 1.00 1.24 H new ATOM 0 HZ3 LYS A 17 8.719 4.657 -9.136 1.00 1.24 H new ATOM 266 N GLU A 18 13.600 6.791 -3.939 1.00 0.27 N ATOM 267 CA GLU A 18 14.669 7.557 -3.308 1.00 0.34 C ATOM 268 C GLU A 18 15.844 6.634 -3.008 1.00 0.35 C ATOM 269 O GLU A 18 17.001 6.999 -3.215 1.00 0.43 O ATOM 270 CB GLU A 18 14.178 8.244 -2.037 1.00 0.36 C ATOM 271 CG GLU A 18 15.299 8.832 -1.191 1.00 0.53 C ATOM 272 CD GLU A 18 14.790 9.564 0.031 1.00 1.01 C ATOM 273 OE1 GLU A 18 14.442 8.900 1.030 1.00 1.55 O ATOM 274 OE2 GLU A 18 14.739 10.811 0.003 1.00 1.47 O ATOM 0 H GLU A 18 12.758 6.689 -3.373 1.00 0.27 H new ATOM 0 HA GLU A 18 14.995 8.339 -3.994 1.00 0.34 H new ATOM 0 HB2 GLU A 18 13.484 9.039 -2.309 1.00 0.36 H new ATOM 0 HB3 GLU A 18 13.620 7.525 -1.437 1.00 0.36 H new ATOM 0 HG2 GLU A 18 15.969 8.031 -0.876 1.00 0.53 H new ATOM 0 HG3 GLU A 18 15.887 9.518 -1.801 1.00 0.53 H new ATOM 281 N SER A 19 15.532 5.428 -2.544 1.00 0.30 N ATOM 282 CA SER A 19 16.526 4.373 -2.418 1.00 0.32 C ATOM 283 C SER A 19 17.185 4.141 -3.757 1.00 0.33 C ATOM 284 O SER A 19 18.400 3.967 -3.855 1.00 0.40 O ATOM 285 CB SER A 19 15.871 3.088 -1.931 1.00 0.29 C ATOM 286 OG SER A 19 15.220 3.286 -0.684 1.00 0.30 O ATOM 0 H SER A 19 14.594 5.158 -2.248 1.00 0.30 H new ATOM 0 HA SER A 19 17.279 4.676 -1.691 1.00 0.32 H new ATOM 0 HB2 SER A 19 15.149 2.741 -2.670 1.00 0.29 H new ATOM 0 HB3 SER A 19 16.625 2.307 -1.831 1.00 0.29 H new ATOM 0 HG SER A 19 14.420 3.836 -0.816 1.00 0.30 H new ATOM 292 N CYS A 20 16.379 4.188 -4.797 1.00 0.30 N ATOM 293 CA CYS A 20 16.860 3.932 -6.121 1.00 0.33 C ATOM 294 C CYS A 20 17.582 5.122 -6.725 1.00 0.39 C ATOM 295 O CYS A 20 18.435 4.969 -7.593 1.00 0.43 O ATOM 296 CB CYS A 20 15.733 3.437 -6.969 1.00 0.32 C ATOM 297 SG CYS A 20 16.010 1.706 -7.304 1.00 1.08 S ATOM 0 H CYS A 20 15.384 4.403 -4.741 1.00 0.30 H new ATOM 0 HA CYS A 20 17.619 3.151 -6.071 1.00 0.33 H new ATOM 0 HB2 CYS A 20 14.781 3.578 -6.457 1.00 0.32 H new ATOM 0 HB3 CYS A 20 15.681 4.001 -7.900 1.00 0.32 H new ATOM 0 HG CYS A 20 17.192 1.548 -7.822 1.00 1.08 H new ATOM 303 N ASN A 21 17.252 6.302 -6.242 1.00 0.44 N ATOM 304 CA ASN A 21 18.000 7.507 -6.585 1.00 0.52 C ATOM 305 C ASN A 21 19.322 7.553 -5.820 1.00 0.58 C ATOM 306 O ASN A 21 20.229 8.303 -6.174 1.00 0.69 O ATOM 307 CB ASN A 21 17.179 8.764 -6.290 1.00 0.55 C ATOM 308 CG ASN A 21 16.320 9.187 -7.470 1.00 0.56 C ATOM 309 OD1 ASN A 21 16.756 9.966 -8.319 1.00 0.83 O ATOM 310 ND2 ASN A 21 15.102 8.675 -7.538 1.00 0.58 N ATOM 0 H ASN A 21 16.469 6.459 -5.608 1.00 0.44 H new ATOM 0 HA ASN A 21 18.212 7.477 -7.654 1.00 0.52 H new ATOM 0 HB2 ASN A 21 16.540 8.582 -5.426 1.00 0.55 H new ATOM 0 HB3 ASN A 21 17.852 9.579 -6.023 1.00 0.55 H new ATOM 0 HD21 ASN A 21 14.487 8.922 -8.314 1.00 0.58 H new ATOM 0 HD22 ASN A 21 14.778 8.033 -6.815 1.00 0.58 H new ATOM 317 N SER A 22 19.420 6.745 -4.773 1.00 0.55 N ATOM 318 CA SER A 22 20.623 6.691 -3.955 1.00 0.63 C ATOM 319 C SER A 22 21.597 5.627 -4.460 1.00 0.63 C ATOM 320 O SER A 22 22.808 5.765 -4.300 1.00 0.76 O ATOM 321 CB SER A 22 20.253 6.418 -2.500 1.00 0.67 C ATOM 322 OG SER A 22 19.379 7.418 -2.001 1.00 1.28 O ATOM 0 H SER A 22 18.677 6.115 -4.470 1.00 0.55 H new ATOM 0 HA SER A 22 21.121 7.658 -4.026 1.00 0.63 H new ATOM 0 HB2 SER A 22 19.777 5.441 -2.419 1.00 0.67 H new ATOM 0 HB3 SER A 22 21.157 6.383 -1.892 1.00 0.67 H new ATOM 0 HG SER A 22 18.464 7.231 -2.298 1.00 1.28 H new ATOM 328 N GLY A 23 21.073 4.569 -5.070 1.00 0.52 N ATOM 329 CA GLY A 23 21.942 3.525 -5.586 1.00 0.57 C ATOM 330 C GLY A 23 21.312 2.150 -5.563 1.00 0.50 C ATOM 331 O GLY A 23 21.988 1.151 -5.810 1.00 0.57 O ATOM 0 H GLY A 23 20.075 4.415 -5.216 1.00 0.52 H new ATOM 0 HA2 GLY A 23 22.223 3.770 -6.610 1.00 0.57 H new ATOM 0 HA3 GLY A 23 22.861 3.505 -5.000 1.00 0.57 H new ATOM 335 N LEU A 24 20.028 2.081 -5.256 1.00 0.41 N ATOM 336 CA LEU A 24 19.316 0.820 -5.314 1.00 0.35 C ATOM 337 C LEU A 24 18.946 0.496 -6.750 1.00 0.37 C ATOM 338 O LEU A 24 18.664 1.387 -7.546 1.00 0.53 O ATOM 339 CB LEU A 24 18.079 0.867 -4.414 1.00 0.30 C ATOM 340 CG LEU A 24 18.258 0.204 -3.048 1.00 0.38 C ATOM 341 CD1 LEU A 24 17.971 -1.285 -3.137 1.00 0.44 C ATOM 342 CD2 LEU A 24 19.669 0.435 -2.541 1.00 0.48 C ATOM 0 H LEU A 24 19.462 2.879 -4.966 1.00 0.41 H new ATOM 0 HA LEU A 24 19.965 0.025 -4.946 1.00 0.35 H new ATOM 0 HB2 LEU A 24 17.796 1.909 -4.263 1.00 0.30 H new ATOM 0 HB3 LEU A 24 17.251 0.383 -4.932 1.00 0.30 H new ATOM 0 HG LEU A 24 17.551 0.650 -2.348 1.00 0.38 H new ATOM 0 HD11 LEU A 24 18.103 -1.740 -2.156 1.00 0.44 H new ATOM 0 HD12 LEU A 24 16.945 -1.438 -3.473 1.00 0.44 H new ATOM 0 HD13 LEU A 24 18.658 -1.746 -3.847 1.00 0.44 H new ATOM 0 HD21 LEU A 24 19.788 -0.040 -1.567 1.00 0.48 H new ATOM 0 HD22 LEU A 24 20.383 0.006 -3.244 1.00 0.48 H new ATOM 0 HD23 LEU A 24 19.851 1.506 -2.447 1.00 0.48 H new ATOM 354 N ALA A 25 19.081 -0.764 -7.104 1.00 0.32 N ATOM 355 CA ALA A 25 18.651 -1.244 -8.414 1.00 0.33 C ATOM 356 C ALA A 25 17.188 -1.666 -8.436 1.00 0.31 C ATOM 357 O ALA A 25 16.526 -1.565 -9.468 1.00 0.41 O ATOM 358 CB ALA A 25 19.550 -2.370 -8.886 1.00 0.37 C ATOM 0 H ALA A 25 19.486 -1.483 -6.505 1.00 0.32 H new ATOM 0 HA ALA A 25 18.740 -0.407 -9.106 1.00 0.33 H new ATOM 0 HB1 ALA A 25 19.216 -2.717 -9.864 1.00 0.37 H new ATOM 0 HB2 ALA A 25 20.576 -2.010 -8.960 1.00 0.37 H new ATOM 0 HB3 ALA A 25 19.505 -3.194 -8.174 1.00 0.37 H new ATOM 364 N SER A 26 16.686 -2.133 -7.303 1.00 0.25 N ATOM 365 CA SER A 26 15.354 -2.726 -7.240 1.00 0.22 C ATOM 366 C SER A 26 14.256 -1.740 -7.650 1.00 0.19 C ATOM 367 O SER A 26 13.462 -2.024 -8.546 1.00 0.22 O ATOM 368 CB SER A 26 15.097 -3.253 -5.840 1.00 0.24 C ATOM 369 OG SER A 26 15.383 -2.268 -4.857 1.00 1.04 O ATOM 0 H SER A 26 17.181 -2.114 -6.411 1.00 0.25 H new ATOM 0 HA SER A 26 15.323 -3.548 -7.955 1.00 0.22 H new ATOM 0 HB2 SER A 26 14.057 -3.566 -5.752 1.00 0.24 H new ATOM 0 HB3 SER A 26 15.711 -4.136 -5.663 1.00 0.24 H new ATOM 0 HG SER A 26 14.607 -1.680 -4.747 1.00 1.04 H new ATOM 375 N TYR A 27 14.230 -0.585 -7.000 1.00 0.16 N ATOM 376 CA TYR A 27 13.204 0.432 -7.234 1.00 0.16 C ATOM 377 C TYR A 27 13.362 1.093 -8.614 1.00 0.21 C ATOM 378 O TYR A 27 12.494 1.847 -9.039 1.00 0.26 O ATOM 379 CB TYR A 27 13.269 1.497 -6.107 1.00 0.15 C ATOM 380 CG TYR A 27 13.396 0.867 -4.733 1.00 0.14 C ATOM 381 CD1 TYR A 27 12.318 0.203 -4.163 1.00 0.14 C ATOM 382 CD2 TYR A 27 14.600 0.892 -4.024 1.00 0.18 C ATOM 383 CE1 TYR A 27 12.422 -0.410 -2.931 1.00 0.17 C ATOM 384 CE2 TYR A 27 14.710 0.271 -2.797 1.00 0.22 C ATOM 385 CZ TYR A 27 13.622 -0.375 -2.253 1.00 0.21 C ATOM 386 OH TYR A 27 13.740 -0.996 -1.031 1.00 0.27 O ATOM 0 H TYR A 27 14.918 -0.323 -6.294 1.00 0.16 H new ATOM 0 HA TYR A 27 12.228 -0.054 -7.221 1.00 0.16 H new ATOM 0 HB2 TYR A 27 14.118 2.158 -6.282 1.00 0.15 H new ATOM 0 HB3 TYR A 27 12.372 2.115 -6.140 1.00 0.15 H new ATOM 0 HD1 TYR A 27 11.379 0.165 -4.695 1.00 0.14 H new ATOM 0 HD2 TYR A 27 15.455 1.404 -4.442 1.00 0.18 H new ATOM 0 HE1 TYR A 27 11.569 -0.914 -2.501 1.00 0.17 H new ATOM 0 HE2 TYR A 27 15.649 0.291 -2.263 1.00 0.22 H new ATOM 0 HH TYR A 27 14.651 -0.877 -0.690 1.00 0.27 H new ATOM 396 N CYS A 28 14.462 0.798 -9.318 1.00 0.25 N ATOM 397 CA CYS A 28 14.785 1.498 -10.552 1.00 0.31 C ATOM 398 C CYS A 28 13.776 1.159 -11.641 1.00 0.41 C ATOM 399 O CYS A 28 13.768 0.043 -12.167 1.00 0.48 O ATOM 400 CB CYS A 28 16.202 1.146 -11.015 1.00 0.35 C ATOM 401 SG CYS A 28 16.698 1.941 -12.564 1.00 0.81 S ATOM 0 H CYS A 28 15.136 0.081 -9.050 1.00 0.25 H new ATOM 0 HA CYS A 28 14.738 2.570 -10.358 1.00 0.31 H new ATOM 0 HB2 CYS A 28 16.908 1.428 -10.233 1.00 0.35 H new ATOM 0 HB3 CYS A 28 16.274 0.065 -11.135 1.00 0.35 H new ATOM 0 HG CYS A 28 17.910 1.581 -12.868 1.00 0.81 H new ATOM 407 N GLY A 29 12.922 2.121 -11.964 1.00 0.50 N ATOM 408 CA GLY A 29 11.871 1.891 -12.935 1.00 0.65 C ATOM 409 C GLY A 29 10.788 0.983 -12.390 1.00 0.57 C ATOM 410 O GLY A 29 9.920 0.521 -13.129 1.00 0.74 O ATOM 0 H GLY A 29 12.939 3.061 -11.568 1.00 0.50 H new ATOM 0 HA2 GLY A 29 11.432 2.845 -13.228 1.00 0.65 H new ATOM 0 HA3 GLY A 29 12.298 1.447 -13.834 1.00 0.65 H new ATOM 414 N ALA A 30 10.840 0.735 -11.088 1.00 0.43 N ATOM 415 CA ALA A 30 9.904 -0.164 -10.442 1.00 0.35 C ATOM 416 C ALA A 30 8.694 0.589 -9.924 1.00 0.30 C ATOM 417 O ALA A 30 8.803 1.719 -9.450 1.00 0.41 O ATOM 418 CB ALA A 30 10.580 -0.906 -9.304 1.00 0.33 C ATOM 0 H ALA A 30 11.527 1.149 -10.458 1.00 0.43 H new ATOM 0 HA ALA A 30 9.567 -0.886 -11.185 1.00 0.35 H new ATOM 0 HB1 ALA A 30 9.863 -1.576 -8.830 1.00 0.33 H new ATOM 0 HB2 ALA A 30 11.416 -1.486 -9.694 1.00 0.33 H new ATOM 0 HB3 ALA A 30 10.947 -0.189 -8.569 1.00 0.33 H new ATOM 424 N ALA A 31 7.550 -0.050 -10.023 1.00 0.24 N ATOM 425 CA ALA A 31 6.306 0.488 -9.513 1.00 0.19 C ATOM 426 C ALA A 31 6.201 0.198 -8.032 1.00 0.18 C ATOM 427 O ALA A 31 5.961 -0.932 -7.657 1.00 0.30 O ATOM 428 CB ALA A 31 5.148 -0.150 -10.250 1.00 0.19 C ATOM 0 H ALA A 31 7.455 -0.965 -10.463 1.00 0.24 H new ATOM 0 HA ALA A 31 6.279 1.567 -9.666 1.00 0.19 H new ATOM 0 HB1 ALA A 31 4.209 0.252 -9.870 1.00 0.19 H new ATOM 0 HB2 ALA A 31 5.231 0.067 -11.315 1.00 0.19 H new ATOM 0 HB3 ALA A 31 5.169 -1.229 -10.097 1.00 0.19 H new ATOM 434 N ILE A 32 6.380 1.187 -7.182 1.00 0.14 N ATOM 435 CA ILE A 32 6.359 0.917 -5.755 1.00 0.13 C ATOM 436 C ILE A 32 5.013 1.298 -5.159 1.00 0.13 C ATOM 437 O ILE A 32 4.487 2.384 -5.394 1.00 0.21 O ATOM 438 CB ILE A 32 7.510 1.611 -4.995 1.00 0.13 C ATOM 439 CG1 ILE A 32 7.520 1.149 -3.536 1.00 0.13 C ATOM 440 CG2 ILE A 32 7.366 3.108 -5.086 1.00 0.15 C ATOM 441 CD1 ILE A 32 8.875 1.228 -2.871 1.00 0.15 C ATOM 0 H ILE A 32 6.538 2.161 -7.441 1.00 0.14 H new ATOM 0 HA ILE A 32 6.511 -0.156 -5.636 1.00 0.13 H new ATOM 0 HB ILE A 32 8.461 1.335 -5.451 1.00 0.13 H new ATOM 0 HG12 ILE A 32 6.814 1.756 -2.969 1.00 0.13 H new ATOM 0 HG13 ILE A 32 7.164 0.120 -3.490 1.00 0.13 H new ATOM 0 HG21 ILE A 32 8.184 3.586 -4.546 1.00 0.15 H new ATOM 0 HG22 ILE A 32 7.394 3.413 -6.132 1.00 0.15 H new ATOM 0 HG23 ILE A 32 6.416 3.410 -4.646 1.00 0.15 H new ATOM 0 HD11 ILE A 32 8.795 0.883 -1.840 1.00 0.15 H new ATOM 0 HD12 ILE A 32 9.582 0.598 -3.411 1.00 0.15 H new ATOM 0 HD13 ILE A 32 9.226 2.260 -2.882 1.00 0.15 H new ATOM 453 N TYR A 33 4.453 0.373 -4.409 1.00 0.10 N ATOM 454 CA TYR A 33 3.113 0.518 -3.877 1.00 0.10 C ATOM 455 C TYR A 33 3.125 0.435 -2.362 1.00 0.09 C ATOM 456 O TYR A 33 4.063 -0.099 -1.763 1.00 0.09 O ATOM 457 CB TYR A 33 2.210 -0.590 -4.415 1.00 0.10 C ATOM 458 CG TYR A 33 2.179 -0.701 -5.921 1.00 0.12 C ATOM 459 CD1 TYR A 33 1.309 0.075 -6.669 1.00 0.16 C ATOM 460 CD2 TYR A 33 3.026 -1.572 -6.592 1.00 0.13 C ATOM 461 CE1 TYR A 33 1.285 -0.010 -8.043 1.00 0.19 C ATOM 462 CE2 TYR A 33 3.004 -1.665 -7.970 1.00 0.16 C ATOM 463 CZ TYR A 33 2.108 -0.931 -8.686 1.00 0.19 C ATOM 464 OH TYR A 33 2.115 -0.960 -10.062 1.00 0.24 O ATOM 0 H TYR A 33 4.912 -0.500 -4.151 1.00 0.10 H new ATOM 0 HA TYR A 33 2.735 1.493 -4.186 1.00 0.10 H new ATOM 0 HB2 TYR A 33 2.540 -1.543 -4.000 1.00 0.10 H new ATOM 0 HB3 TYR A 33 1.195 -0.420 -4.055 1.00 0.10 H new ATOM 0 HD1 TYR A 33 0.639 0.757 -6.167 1.00 0.16 H new ATOM 0 HD2 TYR A 33 3.713 -2.186 -6.028 1.00 0.13 H new ATOM 0 HE1 TYR A 33 0.633 0.632 -8.617 1.00 0.19 H new ATOM 0 HE2 TYR A 33 3.697 -2.319 -8.479 1.00 0.16 H new ATOM 0 HH TYR A 33 2.374 -1.854 -10.369 1.00 0.24 H new ATOM 474 N ALA A 34 2.079 0.952 -1.754 1.00 0.11 N ATOM 475 CA ALA A 34 1.894 0.836 -0.327 1.00 0.11 C ATOM 476 C ALA A 34 1.088 -0.392 -0.005 1.00 0.10 C ATOM 477 O ALA A 34 -0.019 -0.568 -0.513 1.00 0.14 O ATOM 478 CB ALA A 34 1.185 2.045 0.222 1.00 0.12 C ATOM 0 H ALA A 34 1.337 1.462 -2.234 1.00 0.11 H new ATOM 0 HA ALA A 34 2.880 0.761 0.132 1.00 0.11 H new ATOM 0 HB1 ALA A 34 1.057 1.934 1.299 1.00 0.12 H new ATOM 0 HB2 ALA A 34 1.776 2.938 0.017 1.00 0.12 H new ATOM 0 HB3 ALA A 34 0.208 2.140 -0.251 1.00 0.12 H new ATOM 484 N ARG A 35 1.632 -1.247 0.822 1.00 0.09 N ATOM 485 CA ARG A 35 0.891 -2.400 1.260 1.00 0.09 C ATOM 486 C ARG A 35 1.119 -2.621 2.741 1.00 0.08 C ATOM 487 O ARG A 35 2.249 -2.791 3.191 1.00 0.08 O ATOM 488 CB ARG A 35 1.280 -3.636 0.439 1.00 0.10 C ATOM 489 CG ARG A 35 0.100 -4.537 0.122 1.00 0.12 C ATOM 490 CD ARG A 35 -0.955 -3.790 -0.683 1.00 0.16 C ATOM 491 NE ARG A 35 -0.414 -3.293 -1.958 1.00 0.19 N ATOM 492 CZ ARG A 35 -1.154 -2.900 -3.001 1.00 0.39 C ATOM 493 NH1 ARG A 35 -2.455 -3.128 -3.023 1.00 0.62 N ATOM 494 NH2 ARG A 35 -0.575 -2.325 -4.048 1.00 0.40 N ATOM 0 H ARG A 35 2.575 -1.168 1.202 1.00 0.09 H new ATOM 0 HA ARG A 35 -0.173 -2.226 1.100 1.00 0.09 H new ATOM 0 HB2 ARG A 35 1.744 -3.314 -0.493 1.00 0.10 H new ATOM 0 HB3 ARG A 35 2.029 -4.208 0.987 1.00 0.10 H new ATOM 0 HG2 ARG A 35 0.442 -5.407 -0.439 1.00 0.12 H new ATOM 0 HG3 ARG A 35 -0.339 -4.907 1.048 1.00 0.12 H new ATOM 0 HD2 ARG A 35 -1.799 -4.451 -0.879 1.00 0.16 H new ATOM 0 HD3 ARG A 35 -1.335 -2.953 -0.097 1.00 0.16 H new ATOM 0 HE ARG A 35 0.600 -3.245 -2.054 1.00 0.19 H new ATOM 0 HH11 ARG A 35 -2.902 -3.607 -2.241 1.00 0.62 H new ATOM 0 HH12 ARG A 35 -3.012 -2.825 -3.822 1.00 0.62 H new ATOM 0 HH21 ARG A 35 0.435 -2.182 -4.058 1.00 0.40 H new ATOM 0 HH22 ARG A 35 -1.140 -2.026 -4.843 1.00 0.40 H new ATOM 508 N TYR A 36 0.045 -2.545 3.500 1.00 0.10 N ATOM 509 CA TYR A 36 0.074 -2.881 4.906 1.00 0.11 C ATOM 510 C TYR A 36 0.141 -4.394 5.013 1.00 0.14 C ATOM 511 O TYR A 36 -0.884 -5.058 5.136 1.00 0.19 O ATOM 512 CB TYR A 36 -1.183 -2.356 5.602 1.00 0.14 C ATOM 513 CG TYR A 36 -1.090 -2.382 7.103 1.00 0.14 C ATOM 514 CD1 TYR A 36 -0.328 -1.456 7.798 1.00 0.13 C ATOM 515 CD2 TYR A 36 -1.777 -3.338 7.822 1.00 0.20 C ATOM 516 CE1 TYR A 36 -0.253 -1.491 9.174 1.00 0.15 C ATOM 517 CE2 TYR A 36 -1.717 -3.383 9.193 1.00 0.21 C ATOM 518 CZ TYR A 36 -0.886 -2.404 9.868 1.00 0.18 C ATOM 519 OH TYR A 36 -0.880 -2.499 11.248 1.00 0.20 O ATOM 0 H TYR A 36 -0.870 -2.249 3.159 1.00 0.10 H new ATOM 0 HA TYR A 36 0.938 -2.425 5.390 1.00 0.11 H new ATOM 0 HB2 TYR A 36 -1.370 -1.333 5.275 1.00 0.14 H new ATOM 0 HB3 TYR A 36 -2.039 -2.953 5.288 1.00 0.14 H new ATOM 0 HD1 TYR A 36 0.214 -0.697 7.254 1.00 0.13 H new ATOM 0 HD2 TYR A 36 -2.375 -4.067 7.295 1.00 0.20 H new ATOM 0 HE1 TYR A 36 0.340 -0.751 9.690 1.00 0.15 H new ATOM 0 HE2 TYR A 36 -2.271 -4.124 9.751 1.00 0.21 H new ATOM 0 HH TYR A 36 -0.207 -3.154 11.528 1.00 0.20 H new ATOM 529 N ASP A 37 1.344 -4.931 4.919 1.00 0.13 N ATOM 530 CA ASP A 37 1.539 -6.368 4.850 1.00 0.17 C ATOM 531 C ASP A 37 2.860 -6.731 5.496 1.00 0.17 C ATOM 532 O ASP A 37 3.483 -5.887 6.137 1.00 0.16 O ATOM 533 CB ASP A 37 1.513 -6.872 3.400 1.00 0.19 C ATOM 534 CG ASP A 37 0.774 -8.190 3.288 1.00 0.47 C ATOM 535 OD1 ASP A 37 1.367 -9.231 3.635 1.00 0.72 O ATOM 536 OD2 ASP A 37 -0.408 -8.185 2.876 1.00 0.63 O ATOM 0 H ASP A 37 2.207 -4.388 4.889 1.00 0.13 H new ATOM 0 HA ASP A 37 0.719 -6.848 5.385 1.00 0.17 H new ATOM 0 HB2 ASP A 37 1.034 -6.129 2.763 1.00 0.19 H new ATOM 0 HB3 ASP A 37 2.533 -6.993 3.036 1.00 0.19 H new ATOM 541 N LYS A 38 3.287 -7.971 5.335 1.00 0.24 N ATOM 542 CA LYS A 38 4.551 -8.415 5.902 1.00 0.27 C ATOM 543 C LYS A 38 5.720 -7.886 5.088 1.00 0.26 C ATOM 544 O LYS A 38 5.598 -7.661 3.888 1.00 0.24 O ATOM 545 CB LYS A 38 4.626 -9.937 5.902 1.00 0.35 C ATOM 546 CG LYS A 38 3.469 -10.624 6.602 1.00 0.73 C ATOM 547 CD LYS A 38 3.505 -12.127 6.382 1.00 1.05 C ATOM 548 CE LYS A 38 3.617 -12.463 4.905 1.00 0.94 C ATOM 549 NZ LYS A 38 3.638 -13.930 4.655 1.00 1.74 N ATOM 0 H LYS A 38 2.779 -8.688 4.817 1.00 0.24 H new ATOM 0 HA LYS A 38 4.606 -8.034 6.922 1.00 0.27 H new ATOM 0 HB2 LYS A 38 4.669 -10.286 4.870 1.00 0.35 H new ATOM 0 HB3 LYS A 38 5.557 -10.242 6.381 1.00 0.35 H new ATOM 0 HG2 LYS A 38 3.508 -10.410 7.670 1.00 0.73 H new ATOM 0 HG3 LYS A 38 2.526 -10.222 6.231 1.00 0.73 H new ATOM 0 HD2 LYS A 38 4.350 -12.556 6.920 1.00 1.05 H new ATOM 0 HD3 LYS A 38 2.602 -12.579 6.793 1.00 1.05 H new ATOM 0 HE2 LYS A 38 2.778 -12.018 4.370 1.00 0.94 H new ATOM 0 HE3 LYS A 38 4.526 -12.016 4.502 1.00 0.94 H new ATOM 0 HZ1 LYS A 38 3.715 -14.107 3.633 1.00 1.74 H new ATOM 0 HZ2 LYS A 38 4.453 -14.354 5.142 1.00 1.74 H new ATOM 0 HZ3 LYS A 38 2.760 -14.356 5.015 1.00 1.74 H new ATOM 563 N GLY A 39 6.844 -7.684 5.750 1.00 0.34 N ATOM 564 CA GLY A 39 8.062 -7.327 5.056 1.00 0.39 C ATOM 565 C GLY A 39 8.858 -8.562 4.691 1.00 0.38 C ATOM 566 O GLY A 39 8.366 -9.443 3.986 1.00 0.40 O ATOM 0 H GLY A 39 6.937 -7.761 6.763 1.00 0.34 H new ATOM 0 HA2 GLY A 39 7.820 -6.766 4.154 1.00 0.39 H new ATOM 0 HA3 GLY A 39 8.666 -6.673 5.686 1.00 0.39 H new ATOM 570 N ASN A 40 10.090 -8.632 5.165 1.00 0.42 N ATOM 571 CA ASN A 40 10.901 -9.828 4.997 1.00 0.46 C ATOM 572 C ASN A 40 10.314 -10.969 5.832 1.00 0.45 C ATOM 573 O ASN A 40 9.610 -10.710 6.811 1.00 0.42 O ATOM 574 CB ASN A 40 12.353 -9.530 5.396 1.00 0.56 C ATOM 575 CG ASN A 40 13.201 -10.780 5.546 1.00 0.82 C ATOM 576 OD1 ASN A 40 13.286 -11.359 6.627 1.00 0.89 O ATOM 577 ND2 ASN A 40 13.829 -11.205 4.460 1.00 1.69 N ATOM 0 H ASN A 40 10.552 -7.875 5.669 1.00 0.42 H new ATOM 0 HA ASN A 40 10.895 -10.136 3.951 1.00 0.46 H new ATOM 0 HB2 ASN A 40 12.803 -8.881 4.645 1.00 0.56 H new ATOM 0 HB3 ASN A 40 12.359 -8.980 6.337 1.00 0.56 H new ATOM 0 HD21 ASN A 40 14.410 -12.042 4.502 1.00 1.69 H new ATOM 0 HD22 ASN A 40 13.732 -10.695 3.582 1.00 1.69 H new ATOM 584 N SER A 41 10.574 -12.211 5.439 1.00 0.57 N ATOM 585 CA SER A 41 9.936 -13.373 6.052 1.00 0.65 C ATOM 586 C SER A 41 10.062 -13.372 7.573 1.00 0.63 C ATOM 587 O SER A 41 9.083 -13.618 8.284 1.00 0.75 O ATOM 588 CB SER A 41 10.534 -14.651 5.468 1.00 0.94 C ATOM 589 OG SER A 41 11.935 -14.518 5.289 1.00 1.58 O ATOM 0 H SER A 41 11.229 -12.441 4.691 1.00 0.57 H new ATOM 0 HA SER A 41 8.871 -13.326 5.825 1.00 0.65 H new ATOM 0 HB2 SER A 41 10.326 -15.491 6.131 1.00 0.94 H new ATOM 0 HB3 SER A 41 10.061 -14.875 4.512 1.00 0.94 H new ATOM 0 HG SER A 41 12.297 -15.348 4.916 1.00 1.58 H new ATOM 595 N SER A 42 11.250 -13.048 8.065 1.00 0.70 N ATOM 596 CA SER A 42 11.522 -13.071 9.493 1.00 0.85 C ATOM 597 C SER A 42 10.771 -11.961 10.232 1.00 0.84 C ATOM 598 O SER A 42 10.682 -11.981 11.456 1.00 1.07 O ATOM 599 CB SER A 42 13.025 -12.925 9.730 1.00 1.03 C ATOM 600 OG SER A 42 13.758 -13.878 8.978 1.00 1.61 O ATOM 0 H SER A 42 12.044 -12.765 7.491 1.00 0.70 H new ATOM 0 HA SER A 42 11.173 -14.026 9.886 1.00 0.85 H new ATOM 0 HB2 SER A 42 13.343 -11.919 9.456 1.00 1.03 H new ATOM 0 HB3 SER A 42 13.242 -13.050 10.791 1.00 1.03 H new ATOM 0 HG SER A 42 14.716 -13.761 9.147 1.00 1.61 H new ATOM 606 N GLN A 43 10.224 -11.003 9.491 1.00 0.71 N ATOM 607 CA GLN A 43 9.594 -9.842 10.106 1.00 0.85 C ATOM 608 C GLN A 43 8.081 -9.986 10.204 1.00 0.89 C ATOM 609 O GLN A 43 7.501 -9.607 11.220 1.00 1.47 O ATOM 610 CB GLN A 43 9.936 -8.573 9.326 1.00 0.90 C ATOM 611 CG GLN A 43 11.419 -8.256 9.301 1.00 1.37 C ATOM 612 CD GLN A 43 12.020 -8.147 10.690 1.00 1.82 C ATOM 613 OE1 GLN A 43 12.504 -9.132 11.249 1.00 2.47 O ATOM 614 NE2 GLN A 43 11.998 -6.953 11.255 1.00 2.27 N ATOM 0 H GLN A 43 10.204 -11.007 8.471 1.00 0.71 H new ATOM 0 HA GLN A 43 9.988 -9.771 11.120 1.00 0.85 H new ATOM 0 HB2 GLN A 43 9.578 -8.679 8.302 1.00 0.90 H new ATOM 0 HB3 GLN A 43 9.401 -7.731 9.765 1.00 0.90 H new ATOM 0 HG2 GLN A 43 11.943 -9.033 8.743 1.00 1.37 H new ATOM 0 HG3 GLN A 43 11.577 -7.319 8.767 1.00 1.37 H new ATOM 0 HE21 GLN A 43 11.588 -6.162 10.759 1.00 2.27 H new ATOM 0 HE22 GLN A 43 12.391 -6.823 12.187 1.00 2.27 H new ATOM 623 N GLN A 44 7.459 -10.539 9.149 1.00 0.61 N ATOM 624 CA GLN A 44 5.993 -10.620 9.035 1.00 0.58 C ATOM 625 C GLN A 44 5.334 -9.316 9.515 1.00 0.65 C ATOM 626 O GLN A 44 5.689 -8.248 9.012 1.00 1.34 O ATOM 627 CB GLN A 44 5.431 -11.868 9.751 1.00 0.63 C ATOM 628 CG GLN A 44 5.812 -12.009 11.211 1.00 1.03 C ATOM 629 CD GLN A 44 5.372 -13.327 11.816 1.00 1.58 C ATOM 630 OE1 GLN A 44 4.233 -13.842 11.375 1.00 2.07 O flip ATOM 631 NE2 GLN A 44 6.038 -13.869 12.695 1.00 2.18 N flip ATOM 0 H GLN A 44 7.956 -10.941 8.354 1.00 0.61 H new ATOM 0 HA GLN A 44 5.742 -10.737 7.981 1.00 0.58 H new ATOM 0 HB2 GLN A 44 4.344 -11.849 9.677 1.00 0.63 H new ATOM 0 HB3 GLN A 44 5.771 -12.756 9.217 1.00 0.63 H new ATOM 0 HG2 GLN A 44 6.893 -11.914 11.309 1.00 1.03 H new ATOM 0 HG3 GLN A 44 5.368 -11.190 11.777 1.00 1.03 H new ATOM 0 HE21 GLN A 44 6.910 -13.444 13.010 1.00 2.18 H new ATOM 0 HE22 GLN A 44 5.719 -14.744 13.110 1.00 2.18 H new ATOM 640 N THR A 45 4.379 -9.423 10.455 1.00 0.27 N ATOM 641 CA THR A 45 3.705 -8.277 11.090 1.00 0.30 C ATOM 642 C THR A 45 3.323 -7.180 10.097 1.00 0.25 C ATOM 643 O THR A 45 4.150 -6.342 9.736 1.00 0.35 O ATOM 644 CB THR A 45 4.556 -7.669 12.234 1.00 0.47 C ATOM 645 OG1 THR A 45 5.780 -7.107 11.740 1.00 0.57 O ATOM 646 CG2 THR A 45 4.877 -8.729 13.271 1.00 0.59 C ATOM 0 H THR A 45 4.048 -10.324 10.801 1.00 0.27 H new ATOM 0 HA THR A 45 2.783 -8.682 11.508 1.00 0.30 H new ATOM 0 HB THR A 45 3.968 -6.872 12.689 1.00 0.47 H new ATOM 0 HG1 THR A 45 5.748 -6.131 11.820 1.00 0.57 H new ATOM 0 HG21 THR A 45 5.475 -8.288 14.069 1.00 0.59 H new ATOM 0 HG22 THR A 45 3.950 -9.123 13.688 1.00 0.59 H new ATOM 0 HG23 THR A 45 5.437 -9.538 12.803 1.00 0.59 H new ATOM 654 N LYS A 46 2.069 -7.164 9.661 1.00 0.21 N ATOM 655 CA LYS A 46 1.643 -6.159 8.705 1.00 0.18 C ATOM 656 C LYS A 46 1.840 -4.767 9.277 1.00 0.17 C ATOM 657 O LYS A 46 1.295 -4.423 10.325 1.00 0.21 O ATOM 658 CB LYS A 46 0.188 -6.307 8.299 1.00 0.20 C ATOM 659 CG LYS A 46 -0.189 -7.670 7.763 1.00 0.23 C ATOM 660 CD LYS A 46 -1.182 -7.521 6.629 1.00 0.24 C ATOM 661 CE LYS A 46 -1.722 -8.859 6.163 1.00 0.34 C ATOM 662 NZ LYS A 46 -2.410 -8.750 4.847 1.00 0.55 N ATOM 0 H LYS A 46 1.345 -7.822 9.949 1.00 0.21 H new ATOM 0 HA LYS A 46 2.260 -6.306 7.819 1.00 0.18 H new ATOM 0 HB2 LYS A 46 -0.439 -6.086 9.163 1.00 0.20 H new ATOM 0 HB3 LYS A 46 -0.040 -5.559 7.540 1.00 0.20 H new ATOM 0 HG2 LYS A 46 0.702 -8.192 7.412 1.00 0.23 H new ATOM 0 HG3 LYS A 46 -0.621 -8.277 8.559 1.00 0.23 H new ATOM 0 HD2 LYS A 46 -2.009 -6.890 6.953 1.00 0.24 H new ATOM 0 HD3 LYS A 46 -0.702 -7.013 5.792 1.00 0.24 H new ATOM 0 HE2 LYS A 46 -0.903 -9.575 6.087 1.00 0.34 H new ATOM 0 HE3 LYS A 46 -2.418 -9.249 6.906 1.00 0.34 H new ATOM 0 HZ1 LYS A 46 -2.895 -9.645 4.634 1.00 0.55 H new ATOM 0 HZ2 LYS A 46 -3.106 -7.978 4.882 1.00 0.55 H new ATOM 0 HZ3 LYS A 46 -1.710 -8.551 4.105 1.00 0.55 H new ATOM 676 N GLU A 47 2.648 -4.005 8.584 1.00 0.13 N ATOM 677 CA GLU A 47 2.867 -2.598 8.863 1.00 0.14 C ATOM 678 C GLU A 47 2.984 -1.899 7.537 1.00 0.11 C ATOM 679 O GLU A 47 3.420 -2.514 6.562 1.00 0.12 O ATOM 680 CB GLU A 47 4.143 -2.370 9.680 1.00 0.18 C ATOM 681 CG GLU A 47 4.069 -2.931 11.090 1.00 0.32 C ATOM 682 CD GLU A 47 5.427 -3.076 11.750 1.00 0.33 C ATOM 683 OE1 GLU A 47 6.050 -2.043 12.079 1.00 0.64 O ATOM 684 OE2 GLU A 47 5.880 -4.228 11.947 1.00 0.47 O ATOM 0 H GLU A 47 3.187 -4.349 7.790 1.00 0.13 H new ATOM 0 HA GLU A 47 2.037 -2.209 9.454 1.00 0.14 H new ATOM 0 HB2 GLU A 47 4.985 -2.827 9.159 1.00 0.18 H new ATOM 0 HB3 GLU A 47 4.344 -1.300 9.733 1.00 0.18 H new ATOM 0 HG2 GLU A 47 3.444 -2.279 11.700 1.00 0.32 H new ATOM 0 HG3 GLU A 47 3.581 -3.905 11.061 1.00 0.32 H new ATOM 691 N TRP A 48 2.558 -0.650 7.476 1.00 0.11 N ATOM 692 CA TRP A 48 2.652 0.087 6.239 1.00 0.11 C ATOM 693 C TRP A 48 4.091 0.136 5.776 1.00 0.10 C ATOM 694 O TRP A 48 4.935 0.765 6.393 1.00 0.12 O ATOM 695 CB TRP A 48 2.132 1.505 6.385 1.00 0.12 C ATOM 696 CG TRP A 48 0.648 1.623 6.348 1.00 0.12 C ATOM 697 CD1 TRP A 48 -0.160 2.061 7.351 1.00 0.13 C ATOM 698 CD2 TRP A 48 -0.204 1.312 5.242 1.00 0.12 C ATOM 699 NE1 TRP A 48 -1.470 2.057 6.930 1.00 0.13 N ATOM 700 CE2 TRP A 48 -1.523 1.591 5.640 1.00 0.12 C ATOM 701 CE3 TRP A 48 0.023 0.825 3.950 1.00 0.12 C ATOM 702 CZ2 TRP A 48 -2.614 1.402 4.791 1.00 0.13 C ATOM 703 CZ3 TRP A 48 -1.056 0.639 3.108 1.00 0.13 C ATOM 704 CH2 TRP A 48 -2.362 0.925 3.535 1.00 0.14 C ATOM 0 H TRP A 48 2.151 -0.136 8.257 1.00 0.11 H new ATOM 0 HA TRP A 48 2.035 -0.431 5.504 1.00 0.11 H new ATOM 0 HB2 TRP A 48 2.494 1.916 7.327 1.00 0.12 H new ATOM 0 HB3 TRP A 48 2.553 2.117 5.588 1.00 0.12 H new ATOM 0 HD1 TRP A 48 0.176 2.366 8.331 1.00 0.13 H new ATOM 0 HE1 TRP A 48 -2.272 2.353 7.487 1.00 0.13 H new ATOM 0 HE3 TRP A 48 1.025 0.598 3.617 1.00 0.12 H new ATOM 0 HZ2 TRP A 48 -3.620 1.624 5.114 1.00 0.13 H new ATOM 0 HZ3 TRP A 48 -0.892 0.268 2.107 1.00 0.13 H new ATOM 0 HH2 TRP A 48 -3.186 0.765 2.856 1.00 0.14 H new ATOM 715 N ARG A 49 4.369 -0.533 4.699 1.00 0.11 N ATOM 716 CA ARG A 49 5.697 -0.530 4.150 1.00 0.13 C ATOM 717 C ARG A 49 5.610 -0.196 2.683 1.00 0.11 C ATOM 718 O ARG A 49 4.534 -0.266 2.084 1.00 0.13 O ATOM 719 CB ARG A 49 6.369 -1.889 4.358 1.00 0.15 C ATOM 720 CG ARG A 49 6.758 -2.180 5.802 1.00 0.21 C ATOM 721 CD ARG A 49 7.052 -3.656 6.011 1.00 0.31 C ATOM 722 NE ARG A 49 7.396 -3.975 7.395 1.00 0.51 N ATOM 723 CZ ARG A 49 6.743 -4.868 8.139 1.00 0.30 C ATOM 724 NH1 ARG A 49 5.679 -5.483 7.651 1.00 0.82 N ATOM 725 NH2 ARG A 49 7.142 -5.138 9.373 1.00 0.45 N ATOM 0 H ARG A 49 3.693 -1.092 4.178 1.00 0.11 H new ATOM 0 HA ARG A 49 6.304 0.218 4.660 1.00 0.13 H new ATOM 0 HB2 ARG A 49 5.695 -2.672 4.011 1.00 0.15 H new ATOM 0 HB3 ARG A 49 7.263 -1.939 3.736 1.00 0.15 H new ATOM 0 HG2 ARG A 49 7.636 -1.591 6.070 1.00 0.21 H new ATOM 0 HG3 ARG A 49 5.952 -1.870 6.467 1.00 0.21 H new ATOM 0 HD2 ARG A 49 6.181 -4.241 5.714 1.00 0.31 H new ATOM 0 HD3 ARG A 49 7.873 -3.954 5.359 1.00 0.31 H new ATOM 0 HE ARG A 49 8.184 -3.484 7.818 1.00 0.51 H new ATOM 0 HH11 ARG A 49 5.358 -5.274 6.706 1.00 0.82 H new ATOM 0 HH12 ARG A 49 5.179 -6.166 8.220 1.00 0.82 H new ATOM 0 HH21 ARG A 49 7.955 -4.661 9.762 1.00 0.45 H new ATOM 0 HH22 ARG A 49 6.636 -5.823 9.934 1.00 0.45 H new ATOM 739 N CYS A 50 6.730 0.154 2.099 1.00 0.11 N ATOM 740 CA CYS A 50 6.754 0.446 0.695 1.00 0.11 C ATOM 741 C CYS A 50 7.293 -0.766 -0.019 1.00 0.11 C ATOM 742 O CYS A 50 8.411 -1.198 0.235 1.00 0.17 O ATOM 743 CB CYS A 50 7.644 1.664 0.436 1.00 0.19 C ATOM 744 SG CYS A 50 7.161 3.134 1.367 1.00 1.13 S ATOM 0 H CYS A 50 7.628 0.242 2.574 1.00 0.11 H new ATOM 0 HA CYS A 50 5.753 0.676 0.331 1.00 0.11 H new ATOM 0 HB2 CYS A 50 8.674 1.409 0.687 1.00 0.19 H new ATOM 0 HB3 CYS A 50 7.623 1.897 -0.629 1.00 0.19 H new ATOM 0 HG CYS A 50 5.976 3.515 0.993 1.00 1.13 H new ATOM 750 N TYR A 51 6.491 -1.301 -0.910 1.00 0.10 N ATOM 751 CA TYR A 51 6.828 -2.512 -1.621 1.00 0.11 C ATOM 752 C TYR A 51 6.756 -2.244 -3.101 1.00 0.10 C ATOM 753 O TYR A 51 5.701 -1.866 -3.606 1.00 0.11 O ATOM 754 CB TYR A 51 5.837 -3.627 -1.289 1.00 0.11 C ATOM 755 CG TYR A 51 5.725 -3.988 0.163 1.00 0.12 C ATOM 756 CD1 TYR A 51 6.865 -4.238 0.898 1.00 0.14 C ATOM 757 CD2 TYR A 51 4.501 -4.063 0.800 1.00 0.14 C ATOM 758 CE1 TYR A 51 6.793 -4.554 2.234 1.00 0.16 C ATOM 759 CE2 TYR A 51 4.417 -4.381 2.139 1.00 0.16 C ATOM 760 CZ TYR A 51 5.465 -4.680 2.827 1.00 0.16 C ATOM 761 OH TYR A 51 5.502 -4.942 4.180 1.00 0.20 O ATOM 0 H TYR A 51 5.584 -0.908 -1.163 1.00 0.10 H new ATOM 0 HA TYR A 51 7.831 -2.821 -1.326 1.00 0.11 H new ATOM 0 HB2 TYR A 51 4.851 -3.330 -1.648 1.00 0.11 H new ATOM 0 HB3 TYR A 51 6.123 -4.520 -1.845 1.00 0.11 H new ATOM 0 HD1 TYR A 51 7.830 -4.185 0.416 1.00 0.14 H new ATOM 0 HD2 TYR A 51 3.597 -3.870 0.241 1.00 0.14 H new ATOM 0 HE1 TYR A 51 7.686 -4.703 2.823 1.00 0.16 H new ATOM 0 HE2 TYR A 51 3.451 -4.379 2.622 1.00 0.16 H new ATOM 0 HH TYR A 51 4.587 -5.015 4.524 1.00 0.20 H new ATOM 771 N ILE A 52 7.849 -2.410 -3.807 1.00 0.11 N ATOM 772 CA ILE A 52 7.782 -2.289 -5.243 1.00 0.12 C ATOM 773 C ILE A 52 7.035 -3.474 -5.823 1.00 0.15 C ATOM 774 O ILE A 52 6.984 -4.529 -5.199 1.00 0.17 O ATOM 775 CB ILE A 52 9.150 -2.138 -5.911 1.00 0.15 C ATOM 776 CG1 ILE A 52 10.203 -2.913 -5.182 1.00 0.23 C ATOM 777 CG2 ILE A 52 9.552 -0.679 -5.976 1.00 0.12 C ATOM 778 CD1 ILE A 52 11.532 -2.812 -5.878 1.00 0.24 C ATOM 0 H ILE A 52 8.770 -2.623 -3.425 1.00 0.11 H new ATOM 0 HA ILE A 52 7.243 -1.366 -5.455 1.00 0.12 H new ATOM 0 HB ILE A 52 9.064 -2.536 -6.922 1.00 0.15 H new ATOM 0 HG12 ILE A 52 10.294 -2.538 -4.163 1.00 0.23 H new ATOM 0 HG13 ILE A 52 9.905 -3.959 -5.111 1.00 0.23 H new ATOM 0 HG21 ILE A 52 10.528 -0.591 -6.454 1.00 0.12 H new ATOM 0 HG22 ILE A 52 8.813 -0.123 -6.554 1.00 0.12 H new ATOM 0 HG23 ILE A 52 9.605 -0.271 -4.967 1.00 0.12 H new ATOM 0 HD11 ILE A 52 12.277 -3.385 -5.325 1.00 0.24 H new ATOM 0 HD12 ILE A 52 11.445 -3.210 -6.889 1.00 0.24 H new ATOM 0 HD13 ILE A 52 11.840 -1.767 -5.925 1.00 0.24 H new ATOM 790 N GLU A 53 6.448 -3.296 -6.989 1.00 0.16 N ATOM 791 CA GLU A 53 5.615 -4.313 -7.618 1.00 0.18 C ATOM 792 C GLU A 53 6.349 -5.652 -7.702 1.00 0.20 C ATOM 793 O GLU A 53 5.734 -6.720 -7.665 1.00 0.24 O ATOM 794 CB GLU A 53 5.185 -3.829 -8.998 1.00 0.19 C ATOM 795 CG GLU A 53 4.333 -4.829 -9.742 1.00 0.22 C ATOM 796 CD GLU A 53 3.860 -4.288 -11.076 1.00 0.27 C ATOM 797 OE1 GLU A 53 2.832 -3.577 -11.105 1.00 0.34 O ATOM 798 OE2 GLU A 53 4.527 -4.550 -12.098 1.00 0.39 O ATOM 0 H GLU A 53 6.533 -2.438 -7.534 1.00 0.16 H new ATOM 0 HA GLU A 53 4.727 -4.474 -7.008 1.00 0.18 H new ATOM 0 HB2 GLU A 53 4.630 -2.897 -8.892 1.00 0.19 H new ATOM 0 HB3 GLU A 53 6.073 -3.606 -9.590 1.00 0.19 H new ATOM 0 HG2 GLU A 53 4.904 -5.743 -9.903 1.00 0.22 H new ATOM 0 HG3 GLU A 53 3.470 -5.095 -9.132 1.00 0.22 H new ATOM 805 N LYS A 54 7.671 -5.566 -7.797 1.00 0.20 N ATOM 806 CA LYS A 54 8.553 -6.726 -7.728 1.00 0.24 C ATOM 807 C LYS A 54 8.189 -7.629 -6.555 1.00 0.25 C ATOM 808 O LYS A 54 8.178 -8.855 -6.662 1.00 0.30 O ATOM 809 CB LYS A 54 9.995 -6.241 -7.519 1.00 0.26 C ATOM 810 CG LYS A 54 10.983 -6.679 -8.592 1.00 0.79 C ATOM 811 CD LYS A 54 11.696 -7.979 -8.231 1.00 1.67 C ATOM 812 CE LYS A 54 10.778 -9.189 -8.312 1.00 2.57 C ATOM 813 NZ LYS A 54 11.481 -10.444 -7.933 1.00 3.37 N ATOM 0 H LYS A 54 8.165 -4.683 -7.925 1.00 0.20 H new ATOM 0 HA LYS A 54 8.450 -7.287 -8.657 1.00 0.24 H new ATOM 0 HB2 LYS A 54 9.993 -5.152 -7.471 1.00 0.26 H new ATOM 0 HB3 LYS A 54 10.347 -6.602 -6.553 1.00 0.26 H new ATOM 0 HG2 LYS A 54 10.455 -6.808 -9.537 1.00 0.79 H new ATOM 0 HG3 LYS A 54 11.722 -5.893 -8.744 1.00 0.79 H new ATOM 0 HD2 LYS A 54 12.543 -8.124 -8.902 1.00 1.67 H new ATOM 0 HD3 LYS A 54 12.099 -7.900 -7.222 1.00 1.67 H new ATOM 0 HE2 LYS A 54 9.922 -9.040 -7.655 1.00 2.57 H new ATOM 0 HE3 LYS A 54 10.389 -9.283 -9.326 1.00 2.57 H new ATOM 0 HZ1 LYS A 54 10.822 -11.245 -8.001 1.00 3.37 H new ATOM 0 HZ2 LYS A 54 12.283 -10.600 -8.576 1.00 3.37 H new ATOM 0 HZ3 LYS A 54 11.830 -10.365 -6.957 1.00 3.37 H new ATOM 827 N GLU A 55 7.882 -6.990 -5.446 1.00 0.22 N ATOM 828 CA GLU A 55 7.787 -7.647 -4.159 1.00 0.26 C ATOM 829 C GLU A 55 6.363 -8.092 -3.825 1.00 0.24 C ATOM 830 O GLU A 55 6.167 -9.011 -3.030 1.00 0.38 O ATOM 831 CB GLU A 55 8.318 -6.677 -3.114 1.00 0.28 C ATOM 832 CG GLU A 55 9.719 -6.182 -3.450 1.00 0.27 C ATOM 833 CD GLU A 55 10.736 -7.304 -3.528 1.00 0.32 C ATOM 834 OE1 GLU A 55 10.941 -8.003 -2.515 1.00 0.71 O ATOM 835 OE2 GLU A 55 11.307 -7.517 -4.613 1.00 0.70 O ATOM 0 H GLU A 55 7.689 -5.989 -5.412 1.00 0.22 H new ATOM 0 HA GLU A 55 8.378 -8.562 -4.178 1.00 0.26 H new ATOM 0 HB2 GLU A 55 7.643 -5.825 -3.034 1.00 0.28 H new ATOM 0 HB3 GLU A 55 8.331 -7.166 -2.140 1.00 0.28 H new ATOM 0 HG2 GLU A 55 9.694 -5.654 -4.403 1.00 0.27 H new ATOM 0 HG3 GLU A 55 10.036 -5.462 -2.695 1.00 0.27 H new ATOM 842 N LEU A 56 5.370 -7.448 -4.423 1.00 0.15 N ATOM 843 CA LEU A 56 3.987 -7.814 -4.177 1.00 0.14 C ATOM 844 C LEU A 56 3.568 -9.000 -5.021 1.00 0.16 C ATOM 845 O LEU A 56 4.328 -9.521 -5.840 1.00 0.22 O ATOM 846 CB LEU A 56 3.025 -6.675 -4.496 1.00 0.14 C ATOM 847 CG LEU A 56 3.023 -5.480 -3.553 1.00 0.13 C ATOM 848 CD1 LEU A 56 4.321 -4.728 -3.680 1.00 0.12 C ATOM 849 CD2 LEU A 56 1.876 -4.571 -3.924 1.00 0.15 C ATOM 0 H LEU A 56 5.497 -6.675 -5.077 1.00 0.15 H new ATOM 0 HA LEU A 56 3.936 -8.059 -3.116 1.00 0.14 H new ATOM 0 HB2 LEU A 56 3.251 -6.313 -5.499 1.00 0.14 H new ATOM 0 HB3 LEU A 56 2.015 -7.084 -4.525 1.00 0.14 H new ATOM 0 HG LEU A 56 2.911 -5.823 -2.524 1.00 0.13 H new ATOM 0 HD11 LEU A 56 4.314 -3.874 -3.003 1.00 0.12 H new ATOM 0 HD12 LEU A 56 5.150 -5.388 -3.424 1.00 0.12 H new ATOM 0 HD13 LEU A 56 4.440 -4.377 -4.705 1.00 0.12 H new ATOM 0 HD21 LEU A 56 1.863 -3.710 -3.256 1.00 0.15 H new ATOM 0 HD22 LEU A 56 2.000 -4.230 -4.952 1.00 0.15 H new ATOM 0 HD23 LEU A 56 0.936 -5.115 -3.833 1.00 0.15 H new ATOM 861 N ASP A 57 2.343 -9.406 -4.792 1.00 0.16 N ATOM 862 CA ASP A 57 1.679 -10.418 -5.583 1.00 0.19 C ATOM 863 C ASP A 57 0.281 -9.923 -5.920 1.00 0.21 C ATOM 864 O ASP A 57 -0.478 -9.556 -5.025 1.00 0.24 O ATOM 865 CB ASP A 57 1.595 -11.726 -4.797 1.00 0.22 C ATOM 866 CG ASP A 57 1.054 -12.865 -5.622 1.00 0.28 C ATOM 867 OD1 ASP A 57 -0.176 -12.942 -5.809 1.00 0.98 O ATOM 868 OD2 ASP A 57 1.854 -13.687 -6.086 1.00 0.80 O ATOM 0 H ASP A 57 1.767 -9.036 -4.036 1.00 0.16 H new ATOM 0 HA ASP A 57 2.241 -10.603 -6.499 1.00 0.19 H new ATOM 0 HB2 ASP A 57 2.587 -11.988 -4.429 1.00 0.22 H new ATOM 0 HB3 ASP A 57 0.959 -11.581 -3.924 1.00 0.22 H new ATOM 873 N PHE A 58 -0.046 -9.884 -7.200 1.00 0.21 N ATOM 874 CA PHE A 58 -1.345 -9.376 -7.638 1.00 0.23 C ATOM 875 C PHE A 58 -2.334 -10.510 -7.878 1.00 0.28 C ATOM 876 O PHE A 58 -3.407 -10.303 -8.447 1.00 0.35 O ATOM 877 CB PHE A 58 -1.189 -8.517 -8.890 1.00 0.27 C ATOM 878 CG PHE A 58 -0.705 -7.128 -8.591 1.00 0.26 C ATOM 879 CD1 PHE A 58 0.642 -6.868 -8.390 1.00 0.25 C ATOM 880 CD2 PHE A 58 -1.603 -6.079 -8.521 1.00 0.30 C ATOM 881 CE1 PHE A 58 1.083 -5.584 -8.127 1.00 0.27 C ATOM 882 CE2 PHE A 58 -1.169 -4.794 -8.256 1.00 0.33 C ATOM 883 CZ PHE A 58 0.178 -4.547 -8.062 1.00 0.31 C ATOM 0 H PHE A 58 0.564 -10.196 -7.956 1.00 0.21 H new ATOM 0 HA PHE A 58 -1.747 -8.753 -6.839 1.00 0.23 H new ATOM 0 HB2 PHE A 58 -0.489 -9.001 -9.571 1.00 0.27 H new ATOM 0 HB3 PHE A 58 -2.147 -8.459 -9.406 1.00 0.27 H new ATOM 0 HD1 PHE A 58 1.355 -7.678 -8.439 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -2.655 -6.266 -8.675 1.00 0.30 H new ATOM 0 HE1 PHE A 58 2.135 -5.394 -7.973 1.00 0.27 H new ATOM 0 HE2 PHE A 58 -1.881 -3.984 -8.200 1.00 0.33 H new ATOM 0 HZ PHE A 58 0.520 -3.543 -7.860 1.00 0.31 H new ATOM 893 N SER A 59 -1.970 -11.707 -7.440 1.00 0.27 N ATOM 894 CA SER A 59 -2.913 -12.808 -7.385 1.00 0.33 C ATOM 895 C SER A 59 -3.365 -12.953 -5.941 1.00 0.33 C ATOM 896 O SER A 59 -4.179 -13.806 -5.590 1.00 0.38 O ATOM 897 CB SER A 59 -2.307 -14.109 -7.928 1.00 0.38 C ATOM 898 OG SER A 59 -0.888 -14.065 -7.937 1.00 1.29 O ATOM 0 H SER A 59 -1.030 -11.937 -7.119 1.00 0.27 H new ATOM 0 HA SER A 59 -3.770 -12.597 -8.025 1.00 0.33 H new ATOM 0 HB2 SER A 59 -2.641 -14.948 -7.318 1.00 0.38 H new ATOM 0 HB3 SER A 59 -2.672 -14.286 -8.940 1.00 0.38 H new ATOM 0 HG SER A 59 -0.556 -14.038 -7.015 1.00 1.29 H new ATOM 904 N LYS A 60 -2.810 -12.077 -5.112 1.00 0.29 N ATOM 905 CA LYS A 60 -3.261 -11.884 -3.759 1.00 0.29 C ATOM 906 C LYS A 60 -4.056 -10.601 -3.716 1.00 0.29 C ATOM 907 O LYS A 60 -3.581 -9.555 -4.169 1.00 0.30 O ATOM 908 CB LYS A 60 -2.082 -11.739 -2.793 1.00 0.31 C ATOM 909 CG LYS A 60 -1.660 -13.006 -2.058 1.00 0.46 C ATOM 910 CD LYS A 60 -1.026 -14.040 -2.973 1.00 0.97 C ATOM 911 CE LYS A 60 -2.025 -15.089 -3.419 1.00 1.43 C ATOM 912 NZ LYS A 60 -2.662 -15.779 -2.264 1.00 2.40 N ATOM 0 H LYS A 60 -2.026 -11.479 -5.373 1.00 0.29 H new ATOM 0 HA LYS A 60 -3.855 -12.748 -3.460 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -1.224 -11.364 -3.352 1.00 0.31 H new ATOM 0 HB3 LYS A 60 -2.336 -10.981 -2.052 1.00 0.31 H new ATOM 0 HG2 LYS A 60 -0.954 -12.744 -1.270 1.00 0.46 H new ATOM 0 HG3 LYS A 60 -2.531 -13.445 -1.572 1.00 0.46 H new ATOM 0 HD2 LYS A 60 -0.607 -13.542 -3.848 1.00 0.97 H new ATOM 0 HD3 LYS A 60 -0.198 -14.524 -2.455 1.00 0.97 H new ATOM 0 HE2 LYS A 60 -2.795 -14.619 -4.030 1.00 1.43 H new ATOM 0 HE3 LYS A 60 -1.523 -15.824 -4.048 1.00 1.43 H new ATOM 0 HZ1 LYS A 60 -2.896 -16.757 -2.530 1.00 2.40 H new ATOM 0 HZ2 LYS A 60 -2.004 -15.787 -1.459 1.00 2.40 H new ATOM 0 HZ3 LYS A 60 -3.532 -15.276 -1.996 1.00 2.40 H new ATOM 926 N SER A 61 -5.261 -10.657 -3.201 1.00 0.33 N ATOM 927 CA SER A 61 -6.007 -9.443 -3.007 1.00 0.36 C ATOM 928 C SER A 61 -5.510 -8.763 -1.746 1.00 0.40 C ATOM 929 O SER A 61 -5.479 -9.364 -0.672 1.00 0.49 O ATOM 930 CB SER A 61 -7.504 -9.716 -2.936 1.00 0.45 C ATOM 931 OG SER A 61 -7.786 -10.829 -2.099 1.00 1.19 O ATOM 0 H SER A 61 -5.736 -11.513 -2.915 1.00 0.33 H new ATOM 0 HA SER A 61 -5.851 -8.783 -3.860 1.00 0.36 H new ATOM 0 HB2 SER A 61 -8.019 -8.833 -2.557 1.00 0.45 H new ATOM 0 HB3 SER A 61 -7.889 -9.905 -3.938 1.00 0.45 H new ATOM 0 HG SER A 61 -7.205 -10.801 -1.310 1.00 1.19 H new ATOM 937 N GLY A 62 -5.106 -7.520 -1.887 1.00 0.42 N ATOM 938 CA GLY A 62 -4.457 -6.825 -0.804 1.00 0.53 C ATOM 939 C GLY A 62 -5.433 -6.318 0.222 1.00 0.36 C ATOM 940 O GLY A 62 -5.958 -5.219 0.095 1.00 0.28 O ATOM 0 H GLY A 62 -5.216 -6.973 -2.741 1.00 0.42 H new ATOM 0 HA2 GLY A 62 -3.744 -7.494 -0.323 1.00 0.53 H new ATOM 0 HA3 GLY A 62 -3.887 -5.986 -1.204 1.00 0.53 H new ATOM 944 N ASP A 63 -5.669 -7.122 1.244 1.00 0.39 N ATOM 945 CA ASP A 63 -6.483 -6.708 2.381 1.00 0.35 C ATOM 946 C ASP A 63 -5.628 -5.838 3.307 1.00 0.28 C ATOM 947 O ASP A 63 -5.842 -5.765 4.512 1.00 0.36 O ATOM 948 CB ASP A 63 -7.003 -7.952 3.118 1.00 0.53 C ATOM 949 CG ASP A 63 -8.037 -7.639 4.184 1.00 1.59 C ATOM 950 OD1 ASP A 63 -9.211 -7.398 3.835 1.00 2.41 O ATOM 951 OD2 ASP A 63 -7.670 -7.603 5.378 1.00 2.10 O ATOM 0 H ASP A 63 -5.307 -8.073 1.313 1.00 0.39 H new ATOM 0 HA ASP A 63 -7.342 -6.128 2.045 1.00 0.35 H new ATOM 0 HB2 ASP A 63 -7.438 -8.639 2.392 1.00 0.53 H new ATOM 0 HB3 ASP A 63 -6.162 -8.468 3.580 1.00 0.53 H new ATOM 956 N GLY A 64 -4.647 -5.180 2.709 1.00 0.19 N ATOM 957 CA GLY A 64 -3.703 -4.378 3.454 1.00 0.17 C ATOM 958 C GLY A 64 -3.532 -3.018 2.825 1.00 0.14 C ATOM 959 O GLY A 64 -2.483 -2.398 2.917 1.00 0.20 O ATOM 0 H GLY A 64 -4.488 -5.189 1.702 1.00 0.19 H new ATOM 0 HA2 GLY A 64 -4.048 -4.266 4.482 1.00 0.17 H new ATOM 0 HA3 GLY A 64 -2.740 -4.887 3.494 1.00 0.17 H new ATOM 963 N CYS A 65 -4.562 -2.570 2.150 1.00 0.16 N ATOM 964 CA CYS A 65 -4.584 -1.237 1.589 1.00 0.19 C ATOM 965 C CYS A 65 -5.500 -0.368 2.420 1.00 0.20 C ATOM 966 O CYS A 65 -6.247 -0.864 3.253 1.00 0.28 O ATOM 967 CB CYS A 65 -5.104 -1.286 0.159 1.00 0.20 C ATOM 968 SG CYS A 65 -4.215 -2.434 -0.900 1.00 0.30 S ATOM 0 H CYS A 65 -5.406 -3.114 1.973 1.00 0.16 H new ATOM 0 HA CYS A 65 -3.574 -0.827 1.591 1.00 0.19 H new ATOM 0 HB2 CYS A 65 -6.158 -1.564 0.175 1.00 0.20 H new ATOM 0 HB3 CYS A 65 -5.044 -0.287 -0.273 1.00 0.20 H new ATOM 0 HG CYS A 65 -4.683 -3.635 -0.728 1.00 0.30 H new ATOM 974 N VAL A 66 -5.425 0.917 2.201 1.00 0.23 N ATOM 975 CA VAL A 66 -6.382 1.839 2.761 1.00 0.20 C ATOM 976 C VAL A 66 -7.168 2.434 1.613 1.00 0.20 C ATOM 977 O VAL A 66 -6.656 2.568 0.508 1.00 0.25 O ATOM 978 CB VAL A 66 -5.691 2.955 3.569 1.00 0.20 C ATOM 979 CG1 VAL A 66 -4.491 3.469 2.809 1.00 0.20 C ATOM 980 CG2 VAL A 66 -6.632 4.098 3.874 1.00 0.20 C ATOM 0 H VAL A 66 -4.702 1.356 1.631 1.00 0.23 H new ATOM 0 HA VAL A 66 -7.039 1.309 3.451 1.00 0.20 H new ATOM 0 HB VAL A 66 -5.373 2.526 4.519 1.00 0.20 H new ATOM 0 HG11 VAL A 66 -4.006 4.258 3.385 1.00 0.20 H new ATOM 0 HG12 VAL A 66 -3.787 2.653 2.646 1.00 0.20 H new ATOM 0 HG13 VAL A 66 -4.813 3.868 1.847 1.00 0.20 H new ATOM 0 HG21 VAL A 66 -6.104 4.862 4.445 1.00 0.20 H new ATOM 0 HG22 VAL A 66 -6.996 4.529 2.941 1.00 0.20 H new ATOM 0 HG23 VAL A 66 -7.476 3.729 4.457 1.00 0.20 H new ATOM 990 N ASP A 67 -8.402 2.763 1.862 1.00 0.18 N ATOM 991 CA ASP A 67 -9.258 3.272 0.804 1.00 0.23 C ATOM 992 C ASP A 67 -9.238 4.798 0.839 1.00 0.24 C ATOM 993 O ASP A 67 -8.284 5.375 1.351 1.00 0.26 O ATOM 994 CB ASP A 67 -10.668 2.715 0.966 1.00 0.29 C ATOM 995 CG ASP A 67 -11.439 2.672 -0.344 1.00 0.85 C ATOM 996 OD1 ASP A 67 -11.970 3.729 -0.755 1.00 1.04 O ATOM 997 OD2 ASP A 67 -11.500 1.596 -0.972 1.00 1.49 O ATOM 0 H ASP A 67 -8.846 2.693 2.778 1.00 0.18 H new ATOM 0 HA ASP A 67 -8.891 2.949 -0.170 1.00 0.23 H new ATOM 0 HB2 ASP A 67 -10.611 1.709 1.382 1.00 0.29 H new ATOM 0 HB3 ASP A 67 -11.215 3.326 1.684 1.00 0.29 H new ATOM 1002 N ASP A 68 -10.265 5.461 0.323 1.00 0.28 N ATOM 1003 CA ASP A 68 -10.329 6.933 0.394 1.00 0.32 C ATOM 1004 C ASP A 68 -10.753 7.381 1.780 1.00 0.33 C ATOM 1005 O ASP A 68 -11.624 8.216 1.930 1.00 0.73 O ATOM 1006 CB ASP A 68 -11.286 7.548 -0.625 1.00 0.45 C ATOM 1007 CG ASP A 68 -10.891 7.273 -2.056 1.00 1.28 C ATOM 1008 OD1 ASP A 68 -9.752 7.620 -2.433 1.00 2.10 O ATOM 1009 OD2 ASP A 68 -11.701 6.687 -2.803 1.00 1.41 O ATOM 0 H ASP A 68 -11.058 5.021 -0.144 1.00 0.28 H new ATOM 0 HA ASP A 68 -9.323 7.283 0.163 1.00 0.32 H new ATOM 0 HB2 ASP A 68 -12.290 7.160 -0.451 1.00 0.45 H new ATOM 0 HB3 ASP A 68 -11.330 8.626 -0.468 1.00 0.45 H new ATOM 1014 N CYS A 69 -10.174 6.749 2.769 1.00 0.32 N ATOM 1015 CA CYS A 69 -10.392 7.037 4.163 1.00 0.28 C ATOM 1016 C CYS A 69 -9.528 6.056 4.911 1.00 0.24 C ATOM 1017 O CYS A 69 -9.364 4.940 4.426 1.00 0.23 O ATOM 1018 CB CYS A 69 -11.854 6.816 4.520 1.00 0.40 C ATOM 1019 SG CYS A 69 -12.253 7.023 6.272 1.00 1.49 S ATOM 0 H CYS A 69 -9.511 5.989 2.618 1.00 0.32 H new ATOM 0 HA CYS A 69 -10.147 8.070 4.408 1.00 0.28 H new ATOM 0 HB2 CYS A 69 -12.463 7.509 3.940 1.00 0.40 H new ATOM 0 HB3 CYS A 69 -12.139 5.809 4.214 1.00 0.40 H new ATOM 0 HG CYS A 69 -13.523 6.813 6.456 1.00 1.49 H new ATOM 1025 N GLY A 70 -8.959 6.439 6.049 1.00 0.25 N ATOM 1026 CA GLY A 70 -8.081 5.520 6.752 1.00 0.25 C ATOM 1027 C GLY A 70 -8.847 4.365 7.369 1.00 0.28 C ATOM 1028 O GLY A 70 -9.045 4.295 8.581 1.00 0.36 O ATOM 0 H GLY A 70 -9.085 7.350 6.491 1.00 0.25 H new ATOM 0 HA2 GLY A 70 -7.334 5.131 6.060 1.00 0.25 H new ATOM 0 HA3 GLY A 70 -7.543 6.058 7.533 1.00 0.25 H new ATOM 1032 N SER A 71 -9.296 3.494 6.494 1.00 0.25 N ATOM 1033 CA SER A 71 -9.865 2.216 6.819 1.00 0.28 C ATOM 1034 C SER A 71 -9.315 1.241 5.798 1.00 0.25 C ATOM 1035 O SER A 71 -9.176 1.598 4.623 1.00 0.24 O ATOM 1036 CB SER A 71 -11.394 2.276 6.752 1.00 0.34 C ATOM 1037 OG SER A 71 -11.966 0.989 6.914 1.00 1.10 O ATOM 0 H SER A 71 -9.271 3.671 5.490 1.00 0.25 H new ATOM 0 HA SER A 71 -9.608 1.909 7.833 1.00 0.28 H new ATOM 0 HB2 SER A 71 -11.769 2.943 7.528 1.00 0.34 H new ATOM 0 HB3 SER A 71 -11.702 2.696 5.795 1.00 0.34 H new ATOM 0 HG SER A 71 -12.943 1.057 6.869 1.00 1.10 H new ATOM 1043 N MET A 72 -8.986 0.039 6.212 1.00 0.32 N ATOM 1044 CA MET A 72 -8.333 -0.883 5.306 1.00 0.30 C ATOM 1045 C MET A 72 -9.308 -1.414 4.274 1.00 0.30 C ATOM 1046 O MET A 72 -10.440 -1.785 4.593 1.00 0.46 O ATOM 1047 CB MET A 72 -7.679 -2.033 6.056 1.00 0.36 C ATOM 1048 CG MET A 72 -6.769 -1.584 7.190 1.00 0.85 C ATOM 1049 SD MET A 72 -6.191 -2.953 8.213 1.00 1.03 S ATOM 1050 CE MET A 72 -5.284 -3.920 7.008 1.00 1.68 C ATOM 0 H MET A 72 -9.155 -0.320 7.152 1.00 0.32 H new ATOM 0 HA MET A 72 -7.550 -0.329 4.789 1.00 0.30 H new ATOM 0 HB2 MET A 72 -8.457 -2.680 6.461 1.00 0.36 H new ATOM 0 HB3 MET A 72 -7.100 -2.632 5.353 1.00 0.36 H new ATOM 0 HG2 MET A 72 -5.909 -1.061 6.773 1.00 0.85 H new ATOM 0 HG3 MET A 72 -7.303 -0.870 7.816 1.00 0.85 H new ATOM 0 HE1 MET A 72 -4.438 -4.406 7.494 1.00 1.68 H new ATOM 0 HE2 MET A 72 -5.941 -4.678 6.581 1.00 1.68 H new ATOM 0 HE3 MET A 72 -4.921 -3.266 6.215 1.00 1.68 H new ATOM 1060 N THR A 73 -8.853 -1.431 3.037 1.00 0.21 N ATOM 1061 CA THR A 73 -9.653 -1.875 1.918 1.00 0.19 C ATOM 1062 C THR A 73 -8.914 -2.977 1.179 1.00 0.18 C ATOM 1063 O THR A 73 -7.684 -3.040 1.220 1.00 0.19 O ATOM 1064 CB THR A 73 -9.970 -0.697 0.969 1.00 0.21 C ATOM 1065 OG1 THR A 73 -10.983 -1.059 0.028 1.00 0.26 O ATOM 1066 CG2 THR A 73 -8.732 -0.225 0.216 1.00 0.22 C ATOM 0 H THR A 73 -7.911 -1.135 2.781 1.00 0.21 H new ATOM 0 HA THR A 73 -10.601 -2.265 2.289 1.00 0.19 H new ATOM 0 HB THR A 73 -10.328 0.121 1.594 1.00 0.21 H new ATOM 0 HG1 THR A 73 -11.302 -0.256 -0.434 1.00 0.26 H new ATOM 0 HG21 THR A 73 -8.999 0.604 -0.440 1.00 0.22 H new ATOM 0 HG22 THR A 73 -7.976 0.105 0.929 1.00 0.22 H new ATOM 0 HG23 THR A 73 -8.334 -1.046 -0.381 1.00 0.22 H new ATOM 1074 N SER A 74 -9.656 -3.861 0.537 1.00 0.27 N ATOM 1075 CA SER A 74 -9.054 -4.953 -0.190 1.00 0.30 C ATOM 1076 C SER A 74 -8.817 -4.547 -1.634 1.00 0.35 C ATOM 1077 O SER A 74 -9.756 -4.277 -2.389 1.00 0.47 O ATOM 1078 CB SER A 74 -9.932 -6.182 -0.142 1.00 0.37 C ATOM 1079 OG SER A 74 -9.193 -7.367 -0.393 1.00 1.25 O ATOM 0 H SER A 74 -10.675 -3.840 0.507 1.00 0.27 H new ATOM 0 HA SER A 74 -8.100 -5.192 0.281 1.00 0.30 H new ATOM 0 HB2 SER A 74 -10.408 -6.251 0.836 1.00 0.37 H new ATOM 0 HB3 SER A 74 -10.730 -6.088 -0.879 1.00 0.37 H new ATOM 0 HG SER A 74 -9.792 -8.141 -0.352 1.00 1.25 H new ATOM 1085 N CYS A 75 -7.562 -4.504 -2.003 1.00 0.30 N ATOM 1086 CA CYS A 75 -7.152 -4.080 -3.334 1.00 0.35 C ATOM 1087 C CYS A 75 -5.922 -4.877 -3.776 1.00 0.33 C ATOM 1088 O CYS A 75 -4.954 -4.986 -3.031 1.00 0.43 O ATOM 1089 CB CYS A 75 -6.873 -2.576 -3.311 1.00 0.39 C ATOM 1090 SG CYS A 75 -8.298 -1.572 -2.827 1.00 1.40 S ATOM 0 H CYS A 75 -6.787 -4.761 -1.392 1.00 0.30 H new ATOM 0 HA CYS A 75 -7.946 -4.273 -4.056 1.00 0.35 H new ATOM 0 HB2 CYS A 75 -6.052 -2.379 -2.622 1.00 0.39 H new ATOM 0 HB3 CYS A 75 -6.540 -2.263 -4.301 1.00 0.39 H new ATOM 0 HG CYS A 75 -9.343 -2.335 -2.699 1.00 1.40 H new ATOM 1096 N ARG A 76 -5.967 -5.420 -4.999 1.00 0.27 N ATOM 1097 CA ARG A 76 -4.982 -6.414 -5.454 1.00 0.26 C ATOM 1098 C ARG A 76 -3.549 -5.922 -5.381 1.00 0.22 C ATOM 1099 O ARG A 76 -3.174 -4.928 -5.996 1.00 0.25 O ATOM 1100 CB ARG A 76 -5.296 -6.913 -6.856 1.00 0.33 C ATOM 1101 CG ARG A 76 -6.358 -7.984 -6.850 1.00 0.39 C ATOM 1102 CD ARG A 76 -7.732 -7.375 -6.799 1.00 0.79 C ATOM 1103 NE ARG A 76 -8.476 -7.567 -8.045 1.00 1.01 N ATOM 1104 CZ ARG A 76 -9.732 -7.156 -8.234 1.00 1.61 C ATOM 1105 NH1 ARG A 76 -10.372 -6.496 -7.277 1.00 2.21 N ATOM 1106 NH2 ARG A 76 -10.346 -7.387 -9.388 1.00 1.87 N ATOM 0 H ARG A 76 -6.676 -5.188 -5.694 1.00 0.27 H new ATOM 0 HA ARG A 76 -5.067 -7.246 -4.755 1.00 0.26 H new ATOM 0 HB2 ARG A 76 -5.627 -6.077 -7.472 1.00 0.33 H new ATOM 0 HB3 ARG A 76 -4.388 -7.306 -7.313 1.00 0.33 H new ATOM 0 HG2 ARG A 76 -6.262 -8.602 -7.743 1.00 0.39 H new ATOM 0 HG3 ARG A 76 -6.214 -8.640 -5.991 1.00 0.39 H new ATOM 0 HD2 ARG A 76 -8.291 -7.816 -5.974 1.00 0.79 H new ATOM 0 HD3 ARG A 76 -7.646 -6.308 -6.592 1.00 0.79 H new ATOM 0 HE ARG A 76 -8.007 -8.043 -8.815 1.00 1.01 H new ATOM 0 HH11 ARG A 76 -9.904 -6.300 -6.392 1.00 2.21 H new ATOM 0 HH12 ARG A 76 -11.332 -6.184 -7.427 1.00 2.21 H new ATOM 0 HH21 ARG A 76 -9.858 -7.881 -10.135 1.00 1.87 H new ATOM 0 HH22 ARG A 76 -11.306 -7.071 -9.527 1.00 1.87 H new ATOM 1120 N GLY A 77 -2.781 -6.621 -4.566 1.00 0.19 N ATOM 1121 CA GLY A 77 -1.385 -6.330 -4.362 1.00 0.19 C ATOM 1122 C GLY A 77 -1.025 -6.689 -2.953 1.00 0.24 C ATOM 1123 O GLY A 77 -1.606 -6.133 -2.037 1.00 0.59 O ATOM 0 H GLY A 77 -3.119 -7.416 -4.023 1.00 0.19 H new ATOM 0 HA2 GLY A 77 -0.774 -6.896 -5.065 1.00 0.19 H new ATOM 0 HA3 GLY A 77 -1.187 -5.274 -4.546 1.00 0.19 H new ATOM 1127 N SER A 78 -0.131 -7.638 -2.755 1.00 0.20 N ATOM 1128 CA SER A 78 0.277 -7.996 -1.403 1.00 0.17 C ATOM 1129 C SER A 78 1.483 -8.899 -1.384 1.00 0.20 C ATOM 1130 O SER A 78 1.715 -9.677 -2.297 1.00 0.26 O ATOM 1131 CB SER A 78 -0.880 -8.667 -0.653 1.00 0.20 C ATOM 1132 OG SER A 78 -1.509 -7.765 0.247 1.00 0.73 O ATOM 0 H SER A 78 0.323 -8.170 -3.497 1.00 0.20 H new ATOM 0 HA SER A 78 0.552 -7.067 -0.903 1.00 0.17 H new ATOM 0 HB2 SER A 78 -1.613 -9.038 -1.369 1.00 0.20 H new ATOM 0 HB3 SER A 78 -0.506 -9.531 -0.103 1.00 0.20 H new ATOM 0 HG SER A 78 -1.146 -7.896 1.148 1.00 0.73 H new ATOM 1138 N VAL A 79 2.244 -8.770 -0.316 1.00 0.18 N ATOM 1139 CA VAL A 79 3.469 -9.510 -0.148 1.00 0.20 C ATOM 1140 C VAL A 79 3.186 -10.983 0.154 1.00 0.27 C ATOM 1141 O VAL A 79 2.905 -11.359 1.295 1.00 0.33 O ATOM 1142 CB VAL A 79 4.322 -8.875 0.965 1.00 0.23 C ATOM 1143 CG1 VAL A 79 5.541 -9.719 1.291 1.00 0.31 C ATOM 1144 CG2 VAL A 79 4.743 -7.473 0.559 1.00 0.25 C ATOM 0 H VAL A 79 2.026 -8.145 0.460 1.00 0.18 H new ATOM 0 HA VAL A 79 4.028 -9.467 -1.083 1.00 0.20 H new ATOM 0 HB VAL A 79 3.711 -8.822 1.866 1.00 0.23 H new ATOM 0 HG11 VAL A 79 6.117 -9.237 2.081 1.00 0.31 H new ATOM 0 HG12 VAL A 79 5.221 -10.706 1.626 1.00 0.31 H new ATOM 0 HG13 VAL A 79 6.161 -9.821 0.401 1.00 0.31 H new ATOM 0 HG21 VAL A 79 5.346 -7.030 1.352 1.00 0.25 H new ATOM 0 HG22 VAL A 79 5.329 -7.520 -0.359 1.00 0.25 H new ATOM 0 HG23 VAL A 79 3.857 -6.861 0.393 1.00 0.25 H new ATOM 1154 N SER A 80 3.239 -11.804 -0.889 1.00 0.33 N ATOM 1155 CA SER A 80 3.000 -13.232 -0.758 1.00 0.41 C ATOM 1156 C SER A 80 4.194 -13.904 -0.090 1.00 0.43 C ATOM 1157 O SER A 80 4.058 -14.548 0.955 1.00 0.97 O ATOM 1158 CB SER A 80 2.730 -13.835 -2.134 1.00 0.48 C ATOM 1159 OG SER A 80 2.542 -15.236 -2.072 1.00 0.96 O ATOM 0 H SER A 80 3.447 -11.500 -1.840 1.00 0.33 H new ATOM 0 HA SER A 80 2.125 -13.398 -0.130 1.00 0.41 H new ATOM 0 HB2 SER A 80 1.844 -13.369 -2.566 1.00 0.48 H new ATOM 0 HB3 SER A 80 3.565 -13.610 -2.798 1.00 0.48 H new ATOM 0 HG SER A 80 2.370 -15.583 -2.972 1.00 0.96 H new ATOM 1165 N GLY A 81 5.363 -13.740 -0.698 1.00 0.56 N ATOM 1166 CA GLY A 81 6.590 -14.210 -0.092 1.00 0.58 C ATOM 1167 C GLY A 81 7.386 -13.056 0.461 1.00 0.56 C ATOM 1168 O GLY A 81 7.083 -11.911 0.153 1.00 0.86 O ATOM 0 H GLY A 81 5.481 -13.287 -1.604 1.00 0.56 H new ATOM 0 HA2 GLY A 81 6.360 -14.916 0.706 1.00 0.58 H new ATOM 0 HA3 GLY A 81 7.184 -14.747 -0.831 1.00 0.58 H new ATOM 1172 N PRO A 82 8.424 -13.335 1.256 1.00 0.46 N ATOM 1173 CA PRO A 82 9.260 -12.316 1.899 1.00 0.41 C ATOM 1174 C PRO A 82 9.655 -11.178 0.969 1.00 0.41 C ATOM 1175 O PRO A 82 10.300 -11.394 -0.061 1.00 0.57 O ATOM 1176 CB PRO A 82 10.503 -13.091 2.319 1.00 0.48 C ATOM 1177 CG PRO A 82 10.369 -14.428 1.670 1.00 0.61 C ATOM 1178 CD PRO A 82 8.903 -14.675 1.577 1.00 0.70 C ATOM 0 HA PRO A 82 8.726 -11.834 2.718 1.00 0.41 H new ATOM 0 HB2 PRO A 82 11.412 -12.585 1.993 1.00 0.48 H new ATOM 0 HB3 PRO A 82 10.561 -13.184 3.403 1.00 0.48 H new ATOM 0 HG2 PRO A 82 10.832 -14.434 0.683 1.00 0.61 H new ATOM 0 HG3 PRO A 82 10.862 -15.202 2.258 1.00 0.61 H new ATOM 0 HD2 PRO A 82 8.654 -15.400 0.802 1.00 0.70 H new ATOM 0 HD3 PRO A 82 8.486 -15.051 2.512 1.00 0.70 H new ATOM 1186 N SER A 83 9.267 -9.970 1.344 1.00 0.36 N ATOM 1187 CA SER A 83 9.611 -8.787 0.581 1.00 0.37 C ATOM 1188 C SER A 83 11.013 -8.334 0.949 1.00 0.35 C ATOM 1189 O SER A 83 11.354 -8.218 2.129 1.00 0.45 O ATOM 1190 CB SER A 83 8.606 -7.665 0.852 1.00 0.44 C ATOM 1191 OG SER A 83 8.917 -6.507 0.096 1.00 1.45 O ATOM 0 H SER A 83 8.710 -9.785 2.178 1.00 0.36 H new ATOM 0 HA SER A 83 9.578 -9.029 -0.481 1.00 0.37 H new ATOM 0 HB2 SER A 83 7.601 -8.006 0.604 1.00 0.44 H new ATOM 0 HB3 SER A 83 8.607 -7.421 1.914 1.00 0.44 H new ATOM 0 HG SER A 83 8.337 -5.768 0.375 1.00 1.45 H new ATOM 1197 N THR A 84 11.829 -8.098 -0.058 1.00 0.33 N ATOM 1198 CA THR A 84 13.181 -7.634 0.161 1.00 0.34 C ATOM 1199 C THR A 84 13.293 -6.175 -0.244 1.00 0.23 C ATOM 1200 O THR A 84 13.749 -5.333 0.530 1.00 0.21 O ATOM 1201 CB THR A 84 14.187 -8.456 -0.651 1.00 0.46 C ATOM 1202 OG1 THR A 84 13.664 -9.772 -0.889 1.00 0.91 O ATOM 1203 CG2 THR A 84 15.507 -8.562 0.096 1.00 0.67 C ATOM 0 H THR A 84 11.577 -8.221 -1.039 1.00 0.33 H new ATOM 0 HA THR A 84 13.410 -7.750 1.220 1.00 0.34 H new ATOM 0 HB THR A 84 14.357 -7.955 -1.604 1.00 0.46 H new ATOM 0 HG1 THR A 84 14.311 -10.292 -1.410 1.00 0.91 H new ATOM 0 HG21 THR A 84 16.212 -9.149 -0.493 1.00 0.67 H new ATOM 0 HG22 THR A 84 15.913 -7.564 0.260 1.00 0.67 H new ATOM 0 HG23 THR A 84 15.343 -9.049 1.057 1.00 0.67 H new ATOM 1211 N SER A 85 12.831 -5.880 -1.448 1.00 0.21 N ATOM 1212 CA SER A 85 12.848 -4.525 -1.963 1.00 0.25 C ATOM 1213 C SER A 85 11.713 -3.723 -1.332 1.00 0.29 C ATOM 1214 O SER A 85 10.634 -3.592 -1.911 1.00 0.61 O ATOM 1215 CB SER A 85 12.697 -4.561 -3.487 1.00 0.50 C ATOM 1216 OG SER A 85 13.600 -5.489 -4.067 1.00 1.76 O ATOM 0 H SER A 85 12.437 -6.568 -2.090 1.00 0.21 H new ATOM 0 HA SER A 85 13.794 -4.045 -1.712 1.00 0.25 H new ATOM 0 HB2 SER A 85 11.674 -4.832 -3.748 1.00 0.50 H new ATOM 0 HB3 SER A 85 12.878 -3.567 -3.897 1.00 0.50 H new ATOM 0 HG SER A 85 13.110 -6.289 -4.350 1.00 1.76 H new ATOM 1222 N HIS A 86 11.956 -3.185 -0.141 1.00 0.19 N ATOM 1223 CA HIS A 86 10.894 -2.543 0.614 1.00 0.20 C ATOM 1224 C HIS A 86 11.431 -1.590 1.676 1.00 0.20 C ATOM 1225 O HIS A 86 12.546 -1.754 2.176 1.00 0.25 O ATOM 1226 CB HIS A 86 10.000 -3.601 1.274 1.00 0.26 C ATOM 1227 CG HIS A 86 10.603 -4.265 2.480 1.00 0.27 C ATOM 1228 ND1 HIS A 86 11.735 -5.047 2.427 1.00 0.29 N ATOM 1229 CD2 HIS A 86 10.221 -4.254 3.779 1.00 0.50 C ATOM 1230 CE1 HIS A 86 12.024 -5.485 3.636 1.00 0.30 C ATOM 1231 NE2 HIS A 86 11.122 -5.018 4.476 1.00 0.44 N ATOM 0 H HIS A 86 12.868 -3.182 0.315 1.00 0.19 H new ATOM 0 HA HIS A 86 10.311 -1.953 -0.093 1.00 0.20 H new ATOM 0 HB2 HIS A 86 9.060 -3.133 1.565 1.00 0.26 H new ATOM 0 HB3 HIS A 86 9.760 -4.366 0.536 1.00 0.26 H new ATOM 0 HD1 HIS A 86 12.268 -5.255 1.582 1.00 0.29 H new ATOM 0 HD2 HIS A 86 9.365 -3.739 4.190 1.00 0.50 H new ATOM 0 HE1 HIS A 86 12.859 -6.119 3.895 1.00 0.30 H new ATOM 1240 N LEU A 87 10.606 -0.611 2.026 1.00 0.19 N ATOM 1241 CA LEU A 87 10.922 0.344 3.080 1.00 0.19 C ATOM 1242 C LEU A 87 9.812 0.367 4.116 1.00 0.18 C ATOM 1243 O LEU A 87 8.683 0.739 3.808 1.00 0.18 O ATOM 1244 CB LEU A 87 11.106 1.759 2.516 1.00 0.21 C ATOM 1245 CG LEU A 87 12.309 1.951 1.590 1.00 0.23 C ATOM 1246 CD1 LEU A 87 11.952 1.571 0.164 1.00 0.38 C ATOM 1247 CD2 LEU A 87 12.814 3.381 1.653 1.00 0.58 C ATOM 0 H LEU A 87 9.698 -0.457 1.587 1.00 0.19 H new ATOM 0 HA LEU A 87 11.857 0.026 3.542 1.00 0.19 H new ATOM 0 HB2 LEU A 87 10.203 2.034 1.971 1.00 0.21 H new ATOM 0 HB3 LEU A 87 11.198 2.454 3.350 1.00 0.21 H new ATOM 0 HG LEU A 87 13.109 1.293 1.930 1.00 0.23 H new ATOM 0 HD11 LEU A 87 12.820 1.714 -0.479 1.00 0.38 H new ATOM 0 HD12 LEU A 87 11.645 0.525 0.132 1.00 0.38 H new ATOM 0 HD13 LEU A 87 11.133 2.200 -0.186 1.00 0.38 H new ATOM 0 HD21 LEU A 87 13.669 3.494 0.987 1.00 0.58 H new ATOM 0 HD22 LEU A 87 12.020 4.061 1.344 1.00 0.58 H new ATOM 0 HD23 LEU A 87 13.115 3.616 2.674 1.00 0.58 H new ATOM 1259 N THR A 88 10.114 -0.048 5.332 1.00 0.17 N ATOM 1260 CA THR A 88 9.140 0.030 6.407 1.00 0.15 C ATOM 1261 C THR A 88 8.963 1.470 6.855 1.00 0.18 C ATOM 1262 O THR A 88 9.691 1.956 7.721 1.00 0.22 O ATOM 1263 CB THR A 88 9.545 -0.819 7.626 1.00 0.17 C ATOM 1264 OG1 THR A 88 10.000 -2.112 7.198 1.00 0.21 O ATOM 1265 CG2 THR A 88 8.377 -0.982 8.587 1.00 0.18 C ATOM 0 H THR A 88 11.017 -0.439 5.600 1.00 0.17 H new ATOM 0 HA THR A 88 8.204 -0.363 6.010 1.00 0.15 H new ATOM 0 HB THR A 88 10.353 -0.303 8.144 1.00 0.17 H new ATOM 0 HG1 THR A 88 10.257 -2.644 7.980 1.00 0.21 H new ATOM 0 HG21 THR A 88 8.689 -1.585 9.439 1.00 0.18 H new ATOM 0 HG22 THR A 88 8.053 -0.001 8.936 1.00 0.18 H new ATOM 0 HG23 THR A 88 7.551 -1.476 8.075 1.00 0.18 H new ATOM 1273 N ARG A 89 8.007 2.155 6.251 1.00 0.19 N ATOM 1274 CA ARG A 89 7.640 3.482 6.710 1.00 0.25 C ATOM 1275 C ARG A 89 6.163 3.492 7.078 1.00 0.20 C ATOM 1276 O ARG A 89 5.373 4.208 6.474 1.00 0.24 O ATOM 1277 CB ARG A 89 7.887 4.492 5.586 1.00 0.38 C ATOM 1278 CG ARG A 89 9.267 4.399 4.961 1.00 0.33 C ATOM 1279 CD ARG A 89 10.290 5.205 5.735 1.00 1.12 C ATOM 1280 NE ARG A 89 11.599 5.221 5.084 1.00 1.99 N ATOM 1281 CZ ARG A 89 12.384 6.299 5.020 1.00 2.70 C ATOM 1282 NH1 ARG A 89 12.021 7.421 5.632 1.00 2.77 N ATOM 1283 NH2 ARG A 89 13.544 6.242 4.378 1.00 3.65 N ATOM 0 H ARG A 89 7.475 1.817 5.449 1.00 0.19 H new ATOM 0 HA ARG A 89 8.239 3.749 7.581 1.00 0.25 H new ATOM 0 HB2 ARG A 89 7.137 4.345 4.809 1.00 0.38 H new ATOM 0 HB3 ARG A 89 7.745 5.499 5.979 1.00 0.38 H new ATOM 0 HG2 ARG A 89 9.579 3.355 4.923 1.00 0.33 H new ATOM 0 HG3 ARG A 89 9.225 4.757 3.932 1.00 0.33 H new ATOM 0 HD2 ARG A 89 9.932 6.228 5.848 1.00 1.12 H new ATOM 0 HD3 ARG A 89 10.392 4.790 6.738 1.00 1.12 H new ATOM 0 HE ARG A 89 11.932 4.358 4.654 1.00 1.99 H new ATOM 0 HH11 ARG A 89 11.143 7.458 6.150 1.00 2.77 H new ATOM 0 HH12 ARG A 89 12.620 8.245 5.584 1.00 2.77 H new ATOM 0 HH21 ARG A 89 13.838 5.373 3.932 1.00 3.65 H new ATOM 0 HH22 ARG A 89 14.142 7.067 4.331 1.00 3.65 H new ATOM 1297 N PRO A 90 5.778 2.762 8.132 1.00 0.15 N ATOM 1298 CA PRO A 90 4.382 2.656 8.518 1.00 0.14 C ATOM 1299 C PRO A 90 3.896 3.941 9.165 1.00 0.16 C ATOM 1300 O PRO A 90 2.715 4.281 9.103 1.00 0.25 O ATOM 1301 CB PRO A 90 4.345 1.468 9.489 1.00 0.13 C ATOM 1302 CG PRO A 90 5.718 0.879 9.486 1.00 0.14 C ATOM 1303 CD PRO A 90 6.645 1.935 8.973 1.00 0.15 C ATOM 0 HA PRO A 90 3.719 2.500 7.667 1.00 0.14 H new ATOM 0 HB2 PRO A 90 4.064 1.793 10.491 1.00 0.13 H new ATOM 0 HB3 PRO A 90 3.606 0.732 9.174 1.00 0.13 H new ATOM 0 HG2 PRO A 90 6.006 0.567 10.490 1.00 0.14 H new ATOM 0 HG3 PRO A 90 5.756 -0.008 8.854 1.00 0.14 H new ATOM 0 HD2 PRO A 90 7.087 2.512 9.785 1.00 0.15 H new ATOM 0 HD3 PRO A 90 7.468 1.505 8.402 1.00 0.15 H new ATOM 1311 N SER A 91 4.836 4.661 9.763 1.00 0.16 N ATOM 1312 CA SER A 91 4.584 5.989 10.291 1.00 0.18 C ATOM 1313 C SER A 91 4.253 6.942 9.150 1.00 0.21 C ATOM 1314 O SER A 91 3.315 7.734 9.223 1.00 0.33 O ATOM 1315 CB SER A 91 5.839 6.486 11.003 1.00 0.27 C ATOM 1316 OG SER A 91 6.414 5.457 11.794 1.00 1.21 O ATOM 0 H SER A 91 5.794 4.338 9.894 1.00 0.16 H new ATOM 0 HA SER A 91 3.746 5.950 10.987 1.00 0.18 H new ATOM 0 HB2 SER A 91 6.565 6.834 10.268 1.00 0.27 H new ATOM 0 HB3 SER A 91 5.590 7.339 11.634 1.00 0.27 H new ATOM 0 HG SER A 91 7.218 5.797 12.240 1.00 1.21 H new ATOM 1322 N GLU A 92 5.032 6.823 8.087 1.00 0.17 N ATOM 1323 CA GLU A 92 4.979 7.752 6.973 1.00 0.20 C ATOM 1324 C GLU A 92 3.804 7.471 6.044 1.00 0.21 C ATOM 1325 O GLU A 92 3.175 8.403 5.549 1.00 0.33 O ATOM 1326 CB GLU A 92 6.303 7.701 6.217 1.00 0.30 C ATOM 1327 CG GLU A 92 7.356 8.658 6.758 1.00 0.99 C ATOM 1328 CD GLU A 92 7.639 8.459 8.231 1.00 1.98 C ATOM 1329 OE1 GLU A 92 8.308 7.465 8.582 1.00 2.78 O ATOM 1330 OE2 GLU A 92 7.188 9.290 9.043 1.00 2.37 O ATOM 0 H GLU A 92 5.719 6.078 7.973 1.00 0.17 H new ATOM 0 HA GLU A 92 4.823 8.756 7.368 1.00 0.20 H new ATOM 0 HB2 GLU A 92 6.695 6.685 6.257 1.00 0.30 H new ATOM 0 HB3 GLU A 92 6.121 7.932 5.167 1.00 0.30 H new ATOM 0 HG2 GLU A 92 8.281 8.527 6.196 1.00 0.99 H new ATOM 0 HG3 GLU A 92 7.025 9.683 6.593 1.00 0.99 H new ATOM 1337 N LEU A 93 3.498 6.201 5.804 1.00 0.17 N ATOM 1338 CA LEU A 93 2.318 5.857 5.013 1.00 0.18 C ATOM 1339 C LEU A 93 1.055 6.349 5.713 1.00 0.17 C ATOM 1340 O LEU A 93 0.249 7.071 5.132 1.00 0.19 O ATOM 1341 CB LEU A 93 2.206 4.346 4.773 1.00 0.19 C ATOM 1342 CG LEU A 93 2.967 3.774 3.563 1.00 0.21 C ATOM 1343 CD1 LEU A 93 2.666 4.575 2.314 1.00 0.15 C ATOM 1344 CD2 LEU A 93 4.464 3.725 3.803 1.00 0.33 C ATOM 0 H LEU A 93 4.039 5.403 6.138 1.00 0.17 H new ATOM 0 HA LEU A 93 2.425 6.347 4.045 1.00 0.18 H new ATOM 0 HB2 LEU A 93 2.558 3.833 5.668 1.00 0.19 H new ATOM 0 HB3 LEU A 93 1.151 4.098 4.658 1.00 0.19 H new ATOM 0 HG LEU A 93 2.621 2.750 3.422 1.00 0.21 H new ATOM 0 HD11 LEU A 93 3.214 4.154 1.471 1.00 0.15 H new ATOM 0 HD12 LEU A 93 1.597 4.538 2.107 1.00 0.15 H new ATOM 0 HD13 LEU A 93 2.971 5.611 2.464 1.00 0.15 H new ATOM 0 HD21 LEU A 93 4.960 3.315 2.923 1.00 0.33 H new ATOM 0 HD22 LEU A 93 4.835 4.732 3.992 1.00 0.33 H new ATOM 0 HD23 LEU A 93 4.674 3.093 4.666 1.00 0.33 H new ATOM 1356 N GLN A 94 0.918 6.015 6.986 1.00 0.16 N ATOM 1357 CA GLN A 94 -0.299 6.334 7.724 1.00 0.18 C ATOM 1358 C GLN A 94 -0.397 7.841 7.909 1.00 0.18 C ATOM 1359 O GLN A 94 -1.469 8.390 8.144 1.00 0.20 O ATOM 1360 CB GLN A 94 -0.311 5.600 9.066 1.00 0.17 C ATOM 1361 CG GLN A 94 -1.594 4.817 9.301 1.00 0.36 C ATOM 1362 CD GLN A 94 -2.819 5.701 9.445 1.00 0.67 C ATOM 1363 OE1 GLN A 94 -2.760 6.785 10.021 1.00 1.81 O ATOM 1364 NE2 GLN A 94 -3.927 5.256 8.875 1.00 0.34 N ATOM 0 H GLN A 94 1.629 5.526 7.530 1.00 0.16 H new ATOM 0 HA GLN A 94 -1.170 6.000 7.160 1.00 0.18 H new ATOM 0 HB2 GLN A 94 0.538 4.918 9.109 1.00 0.17 H new ATOM 0 HB3 GLN A 94 -0.180 6.323 9.871 1.00 0.17 H new ATOM 0 HG2 GLN A 94 -1.748 4.127 8.471 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -1.483 4.213 10.201 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -3.931 4.350 8.407 1.00 0.34 H new ATOM 0 HE22 GLN A 94 -4.777 5.819 8.903 1.00 0.34 H new ATOM 1373 N ALA A 95 0.736 8.501 7.746 1.00 0.18 N ATOM 1374 CA ALA A 95 0.803 9.946 7.805 1.00 0.19 C ATOM 1375 C ALA A 95 0.058 10.578 6.651 1.00 0.15 C ATOM 1376 O ALA A 95 -0.732 11.490 6.847 1.00 0.18 O ATOM 1377 CB ALA A 95 2.234 10.400 7.771 1.00 0.21 C ATOM 0 H ALA A 95 1.633 8.049 7.569 1.00 0.18 H new ATOM 0 HA ALA A 95 0.336 10.260 8.738 1.00 0.19 H new ATOM 0 HB1 ALA A 95 2.272 11.488 7.816 1.00 0.21 H new ATOM 0 HB2 ALA A 95 2.768 9.983 8.625 1.00 0.21 H new ATOM 0 HB3 ALA A 95 2.702 10.059 6.848 1.00 0.21 H new ATOM 1383 N VAL A 96 0.316 10.096 5.438 1.00 0.11 N ATOM 1384 CA VAL A 96 -0.353 10.629 4.274 1.00 0.12 C ATOM 1385 C VAL A 96 -1.785 10.143 4.268 1.00 0.11 C ATOM 1386 O VAL A 96 -2.658 10.805 3.764 1.00 0.11 O ATOM 1387 CB VAL A 96 0.347 10.290 2.923 1.00 0.14 C ATOM 1388 CG1 VAL A 96 1.553 9.398 3.128 1.00 0.19 C ATOM 1389 CG2 VAL A 96 -0.623 9.646 1.943 1.00 0.16 C ATOM 0 H VAL A 96 0.978 9.345 5.245 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.311 11.715 4.352 1.00 0.12 H new ATOM 0 HB VAL A 96 0.691 11.233 2.498 1.00 0.14 H new ATOM 0 HG11 VAL A 96 2.015 9.183 2.164 1.00 0.19 H new ATOM 0 HG12 VAL A 96 2.274 9.903 3.771 1.00 0.19 H new ATOM 0 HG13 VAL A 96 1.240 8.465 3.596 1.00 0.19 H new ATOM 0 HG21 VAL A 96 -0.104 9.422 1.011 1.00 0.16 H new ATOM 0 HG22 VAL A 96 -1.014 8.723 2.371 1.00 0.16 H new ATOM 0 HG23 VAL A 96 -1.447 10.331 1.744 1.00 0.16 H new ATOM 1399 N ILE A 97 -2.035 8.989 4.852 1.00 0.11 N ATOM 1400 CA ILE A 97 -3.398 8.581 5.077 1.00 0.11 C ATOM 1401 C ILE A 97 -4.082 9.646 5.904 1.00 0.12 C ATOM 1402 O ILE A 97 -5.031 10.275 5.456 1.00 0.13 O ATOM 1403 CB ILE A 97 -3.459 7.230 5.792 1.00 0.11 C ATOM 1404 CG1 ILE A 97 -3.135 6.117 4.811 1.00 0.12 C ATOM 1405 CG2 ILE A 97 -4.820 7.009 6.423 1.00 0.12 C ATOM 1406 CD1 ILE A 97 -2.441 4.942 5.451 1.00 0.16 C ATOM 0 H ILE A 97 -1.325 8.331 5.173 1.00 0.11 H new ATOM 0 HA ILE A 97 -3.905 8.464 4.119 1.00 0.11 H new ATOM 0 HB ILE A 97 -2.719 7.225 6.593 1.00 0.11 H new ATOM 0 HG12 ILE A 97 -4.058 5.774 4.343 1.00 0.12 H new ATOM 0 HG13 ILE A 97 -2.503 6.515 4.017 1.00 0.12 H new ATOM 0 HG21 ILE A 97 -4.836 6.041 6.924 1.00 0.12 H new ATOM 0 HG22 ILE A 97 -5.017 7.797 7.150 1.00 0.12 H new ATOM 0 HG23 ILE A 97 -5.587 7.029 5.649 1.00 0.12 H new ATOM 0 HD11 ILE A 97 -2.238 4.183 4.695 1.00 0.16 H new ATOM 0 HD12 ILE A 97 -1.502 5.272 5.895 1.00 0.16 H new ATOM 0 HD13 ILE A 97 -3.080 4.520 6.226 1.00 0.16 H new ATOM 1418 N ASP A 98 -3.544 9.880 7.087 1.00 0.14 N ATOM 1419 CA ASP A 98 -4.043 10.923 7.973 1.00 0.17 C ATOM 1420 C ASP A 98 -4.111 12.286 7.273 1.00 0.17 C ATOM 1421 O ASP A 98 -5.096 13.006 7.416 1.00 0.20 O ATOM 1422 CB ASP A 98 -3.156 11.018 9.213 1.00 0.21 C ATOM 1423 CG ASP A 98 -3.547 12.169 10.113 1.00 0.67 C ATOM 1424 OD1 ASP A 98 -4.725 12.233 10.525 1.00 1.03 O ATOM 1425 OD2 ASP A 98 -2.689 13.031 10.398 1.00 0.98 O ATOM 0 H ASP A 98 -2.753 9.357 7.462 1.00 0.14 H new ATOM 0 HA ASP A 98 -5.058 10.652 8.265 1.00 0.17 H new ATOM 0 HB2 ASP A 98 -3.218 10.085 9.773 1.00 0.21 H new ATOM 0 HB3 ASP A 98 -2.117 11.137 8.905 1.00 0.21 H new ATOM 1430 N SER A 99 -3.081 12.616 6.502 1.00 0.15 N ATOM 1431 CA SER A 99 -2.984 13.929 5.864 1.00 0.16 C ATOM 1432 C SER A 99 -3.803 14.008 4.568 1.00 0.16 C ATOM 1433 O SER A 99 -4.699 14.846 4.439 1.00 0.20 O ATOM 1434 CB SER A 99 -1.521 14.255 5.587 1.00 0.18 C ATOM 1435 OG SER A 99 -0.743 14.141 6.773 1.00 0.70 O ATOM 0 H SER A 99 -2.299 11.993 6.302 1.00 0.15 H new ATOM 0 HA SER A 99 -3.403 14.665 6.551 1.00 0.16 H new ATOM 0 HB2 SER A 99 -1.132 13.580 4.825 1.00 0.18 H new ATOM 0 HB3 SER A 99 -1.438 15.266 5.189 1.00 0.18 H new ATOM 0 HG SER A 99 -0.454 13.212 6.886 1.00 0.70 H new ATOM 1441 N ASP A 100 -3.503 13.130 3.616 1.00 0.14 N ATOM 1442 CA ASP A 100 -4.176 13.098 2.333 1.00 0.16 C ATOM 1443 C ASP A 100 -5.642 12.708 2.456 1.00 0.16 C ATOM 1444 O ASP A 100 -6.376 12.778 1.488 1.00 0.18 O ATOM 1445 CB ASP A 100 -3.440 12.167 1.403 1.00 0.17 C ATOM 1446 CG ASP A 100 -2.173 12.786 0.854 1.00 0.41 C ATOM 1447 OD1 ASP A 100 -1.149 12.807 1.572 1.00 0.57 O ATOM 1448 OD2 ASP A 100 -2.195 13.281 -0.290 1.00 0.72 O ATOM 0 H ASP A 100 -2.780 12.418 3.719 1.00 0.14 H new ATOM 0 HA ASP A 100 -4.163 14.106 1.919 1.00 0.16 H new ATOM 0 HB2 ASP A 100 -3.192 11.248 1.934 1.00 0.17 H new ATOM 0 HB3 ASP A 100 -4.094 11.891 0.576 1.00 0.17 H new ATOM 1453 N LYS A 101 -6.069 12.270 3.634 1.00 0.15 N ATOM 1454 CA LYS A 101 -7.497 12.099 3.912 1.00 0.16 C ATOM 1455 C LYS A 101 -8.266 13.393 3.615 1.00 0.20 C ATOM 1456 O LYS A 101 -9.466 13.371 3.353 1.00 0.22 O ATOM 1457 CB LYS A 101 -7.695 11.717 5.369 1.00 0.16 C ATOM 1458 CG LYS A 101 -8.185 10.298 5.591 1.00 0.17 C ATOM 1459 CD LYS A 101 -7.503 9.642 6.787 1.00 0.17 C ATOM 1460 CE LYS A 101 -7.907 10.245 8.133 1.00 0.26 C ATOM 1461 NZ LYS A 101 -7.461 11.657 8.314 1.00 1.26 N ATOM 0 H LYS A 101 -5.454 12.027 4.411 1.00 0.15 H new ATOM 0 HA LYS A 101 -7.881 11.307 3.269 1.00 0.16 H new ATOM 0 HB2 LYS A 101 -6.750 11.847 5.896 1.00 0.16 H new ATOM 0 HB3 LYS A 101 -8.409 12.408 5.818 1.00 0.16 H new ATOM 0 HG2 LYS A 101 -9.264 10.307 5.748 1.00 0.17 H new ATOM 0 HG3 LYS A 101 -7.998 9.705 4.696 1.00 0.17 H new ATOM 0 HD2 LYS A 101 -7.740 8.578 6.790 1.00 0.17 H new ATOM 0 HD3 LYS A 101 -6.423 9.728 6.670 1.00 0.17 H new ATOM 0 HE2 LYS A 101 -8.992 10.200 8.231 1.00 0.26 H new ATOM 0 HE3 LYS A 101 -7.489 9.636 8.934 1.00 0.26 H new ATOM 0 HZ1 LYS A 101 -7.260 11.832 9.319 1.00 1.26 H new ATOM 0 HZ2 LYS A 101 -6.600 11.823 7.755 1.00 1.26 H new ATOM 0 HZ3 LYS A 101 -8.211 12.302 7.994 1.00 1.26 H new ATOM 1475 N SER A 102 -7.568 14.523 3.666 1.00 0.23 N ATOM 1476 CA SER A 102 -8.149 15.800 3.274 1.00 0.28 C ATOM 1477 C SER A 102 -8.424 15.799 1.768 1.00 0.30 C ATOM 1478 O SER A 102 -9.274 16.536 1.270 1.00 0.38 O ATOM 1479 CB SER A 102 -7.199 16.944 3.644 1.00 0.36 C ATOM 1480 OG SER A 102 -7.787 18.210 3.402 1.00 1.23 O ATOM 0 H SER A 102 -6.598 14.579 3.976 1.00 0.23 H new ATOM 0 HA SER A 102 -9.090 15.947 3.805 1.00 0.28 H new ATOM 0 HB2 SER A 102 -6.925 16.865 4.696 1.00 0.36 H new ATOM 0 HB3 SER A 102 -6.278 16.854 3.068 1.00 0.36 H new ATOM 0 HG SER A 102 -7.155 18.917 3.650 1.00 1.23 H new ATOM 1486 N ASN A 103 -7.697 14.946 1.058 1.00 0.27 N ATOM 1487 CA ASN A 103 -7.858 14.786 -0.378 1.00 0.29 C ATOM 1488 C ASN A 103 -8.856 13.670 -0.663 1.00 0.28 C ATOM 1489 O ASN A 103 -9.570 13.701 -1.665 1.00 0.37 O ATOM 1490 CB ASN A 103 -6.517 14.450 -1.037 1.00 0.33 C ATOM 1491 CG ASN A 103 -6.451 14.906 -2.485 1.00 0.37 C ATOM 1492 OD1 ASN A 103 -5.983 16.002 -2.781 1.00 0.87 O ATOM 1493 ND2 ASN A 103 -6.933 14.075 -3.395 1.00 0.93 N ATOM 0 H ASN A 103 -6.979 14.346 1.464 1.00 0.27 H new ATOM 0 HA ASN A 103 -8.228 15.725 -0.791 1.00 0.29 H new ATOM 0 HB2 ASN A 103 -5.711 14.921 -0.474 1.00 0.33 H new ATOM 0 HB3 ASN A 103 -6.352 13.374 -0.990 1.00 0.33 H new ATOM 0 HD21 ASN A 103 -6.924 14.337 -4.381 1.00 0.93 H new ATOM 0 HD22 ASN A 103 -7.314 13.172 -3.111 1.00 0.93 H new ATOM 1500 N TYR A 104 -8.886 12.677 0.223 1.00 0.21 N ATOM 1501 CA TYR A 104 -9.807 11.557 0.098 1.00 0.22 C ATOM 1502 C TYR A 104 -10.209 11.087 1.479 1.00 0.21 C ATOM 1503 O TYR A 104 -9.379 10.598 2.243 1.00 0.20 O ATOM 1504 CB TYR A 104 -9.155 10.360 -0.618 1.00 0.23 C ATOM 1505 CG TYR A 104 -7.852 10.671 -1.325 1.00 0.21 C ATOM 1506 CD1 TYR A 104 -6.686 10.927 -0.619 1.00 0.18 C ATOM 1507 CD2 TYR A 104 -7.798 10.715 -2.715 1.00 0.25 C ATOM 1508 CE1 TYR A 104 -5.504 11.214 -1.275 1.00 0.21 C ATOM 1509 CE2 TYR A 104 -6.628 10.996 -3.378 1.00 0.27 C ATOM 1510 CZ TYR A 104 -5.441 11.239 -2.588 1.00 0.22 C ATOM 1511 OH TYR A 104 -4.311 11.519 -3.319 1.00 0.30 O ATOM 0 H TYR A 104 -8.277 12.628 1.040 1.00 0.21 H new ATOM 0 HA TYR A 104 -10.664 11.902 -0.480 1.00 0.22 H new ATOM 0 HB2 TYR A 104 -8.975 9.572 0.113 1.00 0.23 H new ATOM 0 HB3 TYR A 104 -9.861 9.963 -1.347 1.00 0.23 H new ATOM 0 HD1 TYR A 104 -6.702 10.902 0.461 1.00 0.18 H new ATOM 0 HD2 TYR A 104 -8.695 10.524 -3.285 1.00 0.25 H new ATOM 0 HE1 TYR A 104 -4.615 11.422 -0.698 1.00 0.21 H new ATOM 0 HE2 TYR A 104 -6.596 11.034 -4.457 1.00 0.27 H new ATOM 0 HH TYR A 104 -4.563 11.736 -4.241 1.00 0.30 H new ATOM 1521 N CYS A 105 -11.477 11.217 1.778 1.00 0.28 N ATOM 1522 CA CYS A 105 -12.041 10.658 2.985 1.00 0.31 C ATOM 1523 C CYS A 105 -13.558 10.593 2.873 1.00 0.45 C ATOM 1524 O CYS A 105 -14.221 11.593 2.589 1.00 0.63 O ATOM 1525 CB CYS A 105 -11.565 11.426 4.221 1.00 0.27 C ATOM 1526 SG CYS A 105 -12.530 11.136 5.725 1.00 0.38 S ATOM 0 H CYS A 105 -12.149 11.713 1.193 1.00 0.28 H new ATOM 0 HA CYS A 105 -11.684 9.635 3.108 1.00 0.31 H new ATOM 0 HB2 CYS A 105 -10.526 11.159 4.417 1.00 0.27 H new ATOM 0 HB3 CYS A 105 -11.583 12.492 3.996 1.00 0.27 H new ATOM 0 HG CYS A 105 -12.033 11.836 6.701 1.00 0.38 H new