USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 530 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 NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= -0.11 (180deg=-0.46) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.235 USER MOD Single : A 13 THR OG1 : rot 80:sc= 0.723 USER MOD Single : A 16 LYS NZ :NH3+ 143:sc= 1.26 (180deg=-0.971) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 22 SER OG : rot 61:sc= 0.23 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot -48:sc= 0.496 USER MOD Single : A 51 ASN : amide:sc= -0.0243 K(o=-0.024,f=-5.9!) USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 1.23 (180deg=1.09) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0997 USER MOD Single : A 69 SER OG : rot -33:sc= 0.601 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.711 -33.713 -11.431 1.00 18.86 N ATOM 2 CA MET A 1 21.844 -34.143 -12.277 1.00 19.46 C ATOM 3 C MET A 1 21.965 -33.246 -13.515 1.00 19.93 C ATOM 4 O MET A 1 22.153 -33.745 -14.617 1.00 21.04 O ATOM 5 CB MET A 1 21.675 -35.625 -12.661 1.00 20.19 C ATOM 6 CG MET A 1 21.902 -36.537 -11.449 1.00 19.95 C ATOM 7 SD MET A 1 21.373 -38.251 -11.692 1.00 20.51 S ATOM 8 CE MET A 1 19.666 -38.144 -11.090 1.00 20.81 C ATOM 0 H1 MET A 1 21.072 -33.340 -10.530 1.00 18.86 H new ATOM 0 H2 MET A 1 20.173 -32.971 -11.922 1.00 18.86 H new ATOM 0 H3 MET A 1 20.089 -34.525 -11.245 1.00 18.86 H new ATOM 0 HA MET A 1 22.772 -34.043 -11.714 1.00 19.46 H new ATOM 0 HB2 MET A 1 20.674 -35.789 -13.061 1.00 20.19 H new ATOM 0 HB3 MET A 1 22.380 -35.882 -13.451 1.00 20.19 H new ATOM 0 HG2 MET A 1 22.963 -36.529 -11.198 1.00 19.95 H new ATOM 0 HG3 MET A 1 21.369 -36.123 -10.593 1.00 19.95 H new ATOM 0 HE1 MET A 1 19.190 -39.121 -11.170 1.00 20.81 H new ATOM 0 HE2 MET A 1 19.667 -37.825 -10.048 1.00 20.81 H new ATOM 0 HE3 MET A 1 19.113 -37.421 -11.690 1.00 20.81 H new ATOM 20 N LYS A 2 21.838 -31.924 -13.354 1.00 19.24 N ATOM 21 CA LYS A 2 22.020 -30.933 -14.412 1.00 19.80 C ATOM 22 C LYS A 2 22.062 -29.551 -13.755 1.00 18.70 C ATOM 23 O LYS A 2 21.876 -29.463 -12.542 1.00 17.83 O ATOM 24 CB LYS A 2 20.900 -31.025 -15.467 1.00 20.84 C ATOM 25 CG LYS A 2 19.489 -30.827 -14.898 1.00 20.62 C ATOM 26 CD LYS A 2 18.455 -30.962 -16.022 1.00 21.81 C ATOM 27 CE LYS A 2 17.048 -30.693 -15.478 1.00 22.05 C ATOM 28 NZ LYS A 2 16.040 -30.644 -16.560 1.00 23.10 N ATOM 0 H LYS A 2 21.598 -31.505 -12.455 1.00 19.24 H new ATOM 0 HA LYS A 2 22.953 -31.120 -14.943 1.00 19.80 H new ATOM 0 HB2 LYS A 2 21.078 -30.275 -16.238 1.00 20.84 H new ATOM 0 HB3 LYS A 2 20.951 -32.000 -15.953 1.00 20.84 H new ATOM 0 HG2 LYS A 2 19.293 -31.565 -14.120 1.00 20.62 H new ATOM 0 HG3 LYS A 2 19.409 -29.845 -14.433 1.00 20.62 H new ATOM 0 HD2 LYS A 2 18.684 -30.260 -16.824 1.00 21.81 H new ATOM 0 HD3 LYS A 2 18.502 -31.963 -16.452 1.00 21.81 H new ATOM 0 HE2 LYS A 2 16.779 -31.473 -14.766 1.00 22.05 H new ATOM 0 HE3 LYS A 2 17.043 -29.749 -14.934 1.00 22.05 H new ATOM 0 HZ1 LYS A 2 15.101 -30.460 -16.152 1.00 23.10 H new ATOM 0 HZ2 LYS A 2 16.283 -29.883 -17.226 1.00 23.10 H new ATOM 0 HZ3 LYS A 2 16.026 -31.554 -17.063 1.00 23.10 H new ATOM 42 N GLN A 3 22.265 -28.492 -14.536 1.00 18.88 N ATOM 43 CA GLN A 3 22.201 -27.111 -14.082 1.00 18.00 C ATOM 44 C GLN A 3 21.539 -26.309 -15.198 1.00 18.35 C ATOM 45 O GLN A 3 21.761 -26.632 -16.363 1.00 19.47 O ATOM 46 CB GLN A 3 23.614 -26.581 -13.778 1.00 18.13 C ATOM 47 CG GLN A 3 24.597 -26.761 -14.950 1.00 18.99 C ATOM 48 CD GLN A 3 25.925 -26.051 -14.708 1.00 19.37 C ATOM 49 OE1 GLN A 3 26.377 -25.913 -13.579 1.00 18.98 O ATOM 50 NE2 GLN A 3 26.578 -25.591 -15.767 1.00 20.38 N ATOM 0 H GLN A 3 22.484 -28.577 -15.529 1.00 18.88 H new ATOM 0 HA GLN A 3 21.626 -27.025 -13.160 1.00 18.00 H new ATOM 0 HB2 GLN A 3 23.551 -25.523 -13.525 1.00 18.13 H new ATOM 0 HB3 GLN A 3 24.007 -27.096 -12.901 1.00 18.13 H new ATOM 0 HG2 GLN A 3 24.780 -27.824 -15.108 1.00 18.99 H new ATOM 0 HG3 GLN A 3 24.144 -26.377 -15.864 1.00 18.99 H new ATOM 0 HE21 GLN A 3 26.187 -25.715 -16.701 1.00 20.38 H new ATOM 0 HE22 GLN A 3 27.471 -25.114 -15.648 1.00 20.38 H new ATOM 59 N ASP A 4 20.736 -25.293 -14.867 1.00 17.54 N ATOM 60 CA ASP A 4 20.163 -24.401 -15.871 1.00 17.86 C ATOM 61 C ASP A 4 19.636 -23.140 -15.182 1.00 16.92 C ATOM 62 O ASP A 4 18.445 -23.029 -14.901 1.00 16.87 O ATOM 63 CB ASP A 4 19.043 -25.103 -16.653 1.00 18.35 C ATOM 64 CG ASP A 4 18.601 -24.265 -17.850 1.00 19.41 C ATOM 65 OD1 ASP A 4 17.618 -24.687 -18.500 1.00 20.15 O ATOM 66 OD2 ASP A 4 19.286 -23.257 -18.137 1.00 19.68 O ATOM 0 H ASP A 4 20.470 -25.070 -13.908 1.00 17.54 H new ATOM 0 HA ASP A 4 20.938 -24.123 -16.586 1.00 17.86 H new ATOM 0 HB2 ASP A 4 19.390 -26.078 -16.996 1.00 18.35 H new ATOM 0 HB3 ASP A 4 18.192 -25.281 -15.995 1.00 18.35 H new ATOM 71 N GLY A 5 20.538 -22.212 -14.849 1.00 16.38 N ATOM 72 CA GLY A 5 20.198 -21.012 -14.103 1.00 15.45 C ATOM 73 C GLY A 5 19.478 -21.360 -12.802 1.00 13.66 C ATOM 74 O GLY A 5 19.802 -22.355 -12.152 1.00 13.10 O ATOM 0 H GLY A 5 21.526 -22.279 -15.093 1.00 16.38 H new ATOM 0 HA2 GLY A 5 21.104 -20.449 -13.881 1.00 15.45 H new ATOM 0 HA3 GLY A 5 19.564 -20.368 -14.713 1.00 15.45 H new ATOM 78 N GLU A 6 18.510 -20.527 -12.427 1.00 12.92 N ATOM 79 CA GLU A 6 17.557 -20.796 -11.360 1.00 11.33 C ATOM 80 C GLU A 6 16.309 -19.948 -11.642 1.00 10.95 C ATOM 81 O GLU A 6 16.396 -18.959 -12.375 1.00 11.96 O ATOM 82 CB GLU A 6 18.174 -20.459 -9.992 1.00 10.95 C ATOM 83 CG GLU A 6 17.529 -21.308 -8.892 1.00 10.17 C ATOM 84 CD GLU A 6 18.150 -21.026 -7.520 1.00 10.31 C ATOM 85 OE1 GLU A 6 17.702 -20.054 -6.873 1.00 10.57 O ATOM 86 OE2 GLU A 6 19.056 -21.796 -7.132 1.00 10.64 O ATOM 0 H GLU A 6 18.365 -19.621 -12.872 1.00 12.92 H new ATOM 0 HA GLU A 6 17.289 -21.852 -11.330 1.00 11.33 H new ATOM 0 HB2 GLU A 6 19.249 -20.639 -10.016 1.00 10.95 H new ATOM 0 HB3 GLU A 6 18.033 -19.401 -9.773 1.00 10.95 H new ATOM 0 HG2 GLU A 6 16.459 -21.104 -8.856 1.00 10.17 H new ATOM 0 HG3 GLU A 6 17.644 -22.365 -9.133 1.00 10.17 H new ATOM 93 N GLU A 7 15.147 -20.305 -11.091 1.00 9.72 N ATOM 94 CA GLU A 7 13.940 -19.510 -11.288 1.00 9.44 C ATOM 95 C GLU A 7 13.953 -18.294 -10.362 1.00 8.12 C ATOM 96 O GLU A 7 13.319 -18.287 -9.311 1.00 7.53 O ATOM 97 CB GLU A 7 12.669 -20.345 -11.070 1.00 9.35 C ATOM 98 CG GLU A 7 12.456 -21.340 -12.216 1.00 11.11 C ATOM 99 CD GLU A 7 10.993 -21.778 -12.304 1.00 12.15 C ATOM 100 OE1 GLU A 7 10.674 -22.851 -11.744 1.00 12.54 O ATOM 101 OE2 GLU A 7 10.214 -21.035 -12.943 1.00 12.92 O ATOM 0 H GLU A 7 15.020 -21.133 -10.510 1.00 9.72 H new ATOM 0 HA GLU A 7 13.930 -19.167 -12.322 1.00 9.44 H new ATOM 0 HB2 GLU A 7 12.743 -20.884 -10.126 1.00 9.35 H new ATOM 0 HB3 GLU A 7 11.805 -19.684 -10.993 1.00 9.35 H new ATOM 0 HG2 GLU A 7 12.759 -20.884 -13.158 1.00 11.11 H new ATOM 0 HG3 GLU A 7 13.091 -22.213 -12.066 1.00 11.11 H new ATOM 108 N GLY A 8 14.644 -17.231 -10.776 1.00 8.17 N ATOM 109 CA GLY A 8 14.611 -15.973 -10.052 1.00 7.58 C ATOM 110 C GLY A 8 15.294 -16.122 -8.697 1.00 6.04 C ATOM 111 O GLY A 8 16.453 -16.520 -8.646 1.00 6.40 O ATOM 0 H GLY A 8 15.232 -17.223 -11.610 1.00 8.17 H new ATOM 0 HA2 GLY A 8 15.109 -15.198 -10.634 1.00 7.58 H new ATOM 0 HA3 GLY A 8 13.578 -15.653 -9.913 1.00 7.58 H new ATOM 115 N THR A 9 14.593 -15.758 -7.620 1.00 5.01 N ATOM 116 CA THR A 9 15.039 -15.863 -6.237 1.00 4.91 C ATOM 117 C THR A 9 13.866 -15.376 -5.369 1.00 4.40 C ATOM 118 O THR A 9 12.724 -15.730 -5.651 1.00 3.62 O ATOM 119 CB THR A 9 16.395 -15.147 -6.031 1.00 6.94 C ATOM 120 OG1 THR A 9 16.840 -15.266 -4.696 1.00 8.02 O ATOM 121 CG2 THR A 9 16.365 -13.671 -6.428 1.00 8.28 C ATOM 0 H THR A 9 13.655 -15.364 -7.697 1.00 5.01 H new ATOM 0 HA THR A 9 15.270 -16.885 -5.935 1.00 4.91 H new ATOM 0 HB THR A 9 17.095 -15.651 -6.697 1.00 6.94 H new ATOM 0 HG1 THR A 9 17.699 -14.806 -4.595 1.00 8.02 H new ATOM 0 HG21 THR A 9 17.347 -13.229 -6.259 1.00 8.28 H new ATOM 0 HG22 THR A 9 16.104 -13.583 -7.483 1.00 8.28 H new ATOM 0 HG23 THR A 9 15.622 -13.147 -5.826 1.00 8.28 H new ATOM 129 N GLU A 10 14.136 -14.584 -4.330 1.00 5.65 N ATOM 130 CA GLU A 10 13.163 -13.959 -3.441 1.00 6.04 C ATOM 131 C GLU A 10 12.088 -13.187 -4.223 1.00 4.17 C ATOM 132 O GLU A 10 12.324 -12.770 -5.358 1.00 4.02 O ATOM 133 CB GLU A 10 13.938 -13.001 -2.515 1.00 8.32 C ATOM 134 CG GLU A 10 13.279 -12.777 -1.150 1.00 9.79 C ATOM 135 CD GLU A 10 13.435 -14.013 -0.268 1.00 11.29 C ATOM 136 OE1 GLU A 10 12.644 -14.958 -0.480 1.00 11.29 O ATOM 137 OE2 GLU A 10 14.349 -14.000 0.588 1.00 12.67 O ATOM 0 H GLU A 10 15.095 -14.350 -4.074 1.00 5.65 H new ATOM 0 HA GLU A 10 12.643 -14.727 -2.869 1.00 6.04 H new ATOM 0 HB2 GLU A 10 14.942 -13.396 -2.361 1.00 8.32 H new ATOM 0 HB3 GLU A 10 14.047 -12.039 -3.016 1.00 8.32 H new ATOM 0 HG2 GLU A 10 13.730 -11.914 -0.660 1.00 9.79 H new ATOM 0 HG3 GLU A 10 12.221 -12.550 -1.284 1.00 9.79 H new ATOM 144 N GLU A 11 10.932 -12.931 -3.595 1.00 3.73 N ATOM 145 CA GLU A 11 9.894 -12.069 -4.160 1.00 2.17 C ATOM 146 C GLU A 11 10.475 -10.723 -4.589 1.00 2.17 C ATOM 147 O GLU A 11 11.334 -10.166 -3.898 1.00 2.89 O ATOM 148 CB GLU A 11 8.855 -11.708 -3.096 1.00 2.59 C ATOM 149 CG GLU A 11 7.809 -12.742 -2.707 1.00 3.33 C ATOM 150 CD GLU A 11 6.940 -12.056 -1.651 1.00 4.55 C ATOM 151 OE1 GLU A 11 6.134 -11.186 -2.051 1.00 5.48 O ATOM 152 OE2 GLU A 11 7.225 -12.263 -0.452 1.00 5.14 O ATOM 0 H GLU A 11 10.694 -13.317 -2.682 1.00 3.73 H new ATOM 0 HA GLU A 11 9.465 -12.620 -4.996 1.00 2.17 H new ATOM 0 HB2 GLU A 11 9.394 -11.428 -2.191 1.00 2.59 H new ATOM 0 HB3 GLU A 11 8.327 -10.819 -3.440 1.00 2.59 H new ATOM 0 HG2 GLU A 11 7.215 -13.045 -3.569 1.00 3.33 H new ATOM 0 HG3 GLU A 11 8.275 -13.643 -2.309 1.00 3.33 H new ATOM 159 N ASP A 12 9.867 -10.098 -5.599 1.00 1.73 N ATOM 160 CA ASP A 12 10.159 -8.717 -5.949 1.00 1.78 C ATOM 161 C ASP A 12 8.845 -7.957 -5.937 1.00 1.66 C ATOM 162 O ASP A 12 8.047 -8.072 -6.861 1.00 1.85 O ATOM 163 CB ASP A 12 10.867 -8.598 -7.301 1.00 2.12 C ATOM 164 CG ASP A 12 11.194 -7.131 -7.595 1.00 2.32 C ATOM 165 OD1 ASP A 12 11.715 -6.869 -8.701 1.00 3.08 O ATOM 166 OD2 ASP A 12 10.941 -6.288 -6.699 1.00 2.91 O ATOM 0 H ASP A 12 9.162 -10.537 -6.192 1.00 1.73 H new ATOM 0 HA ASP A 12 10.851 -8.292 -5.222 1.00 1.78 H new ATOM 0 HB2 ASP A 12 11.783 -9.189 -7.294 1.00 2.12 H new ATOM 0 HB3 ASP A 12 10.233 -9.003 -8.090 1.00 2.12 H new ATOM 171 N THR A 13 8.622 -7.208 -4.855 1.00 1.71 N ATOM 172 CA THR A 13 7.458 -6.357 -4.651 1.00 1.60 C ATOM 173 C THR A 13 6.149 -7.052 -5.049 1.00 1.50 C ATOM 174 O THR A 13 5.270 -6.429 -5.639 1.00 1.56 O ATOM 175 CB THR A 13 7.704 -5.034 -5.396 1.00 1.76 C ATOM 176 OG1 THR A 13 9.059 -4.651 -5.240 1.00 2.53 O ATOM 177 CG2 THR A 13 6.857 -3.895 -4.821 1.00 2.18 C ATOM 0 H THR A 13 9.274 -7.180 -4.071 1.00 1.71 H new ATOM 0 HA THR A 13 7.330 -6.144 -3.590 1.00 1.60 H new ATOM 0 HB THR A 13 7.442 -5.200 -6.441 1.00 1.76 H new ATOM 0 HG1 THR A 13 9.616 -5.156 -5.869 1.00 2.53 H new ATOM 0 HG21 THR A 13 7.059 -2.977 -5.373 1.00 2.18 H new ATOM 0 HG22 THR A 13 5.800 -4.147 -4.909 1.00 2.18 H new ATOM 0 HG23 THR A 13 7.109 -3.749 -3.771 1.00 2.18 H new ATOM 185 N GLU A 14 6.012 -8.339 -4.713 1.00 1.41 N ATOM 186 CA GLU A 14 4.858 -9.124 -5.122 1.00 1.33 C ATOM 187 C GLU A 14 3.752 -8.920 -4.093 1.00 1.15 C ATOM 188 O GLU A 14 2.785 -8.225 -4.379 1.00 1.25 O ATOM 189 CB GLU A 14 5.265 -10.588 -5.354 1.00 1.34 C ATOM 190 CG GLU A 14 4.653 -11.107 -6.668 1.00 1.36 C ATOM 191 CD GLU A 14 5.197 -12.475 -7.100 1.00 2.56 C ATOM 192 OE1 GLU A 14 4.508 -13.137 -7.911 1.00 2.95 O ATOM 193 OE2 GLU A 14 6.330 -12.815 -6.686 1.00 3.94 O ATOM 0 H GLU A 14 6.693 -8.855 -4.156 1.00 1.41 H new ATOM 0 HA GLU A 14 4.462 -8.792 -6.081 1.00 1.33 H new ATOM 0 HB2 GLU A 14 6.351 -10.670 -5.393 1.00 1.34 H new ATOM 0 HB3 GLU A 14 4.929 -11.203 -4.519 1.00 1.34 H new ATOM 0 HG2 GLU A 14 3.571 -11.175 -6.553 1.00 1.36 H new ATOM 0 HG3 GLU A 14 4.845 -10.383 -7.460 1.00 1.36 H new ATOM 200 N GLU A 15 3.904 -9.410 -2.860 1.00 1.03 N ATOM 201 CA GLU A 15 2.893 -9.168 -1.835 1.00 0.84 C ATOM 202 C GLU A 15 3.570 -8.981 -0.468 1.00 0.83 C ATOM 203 O GLU A 15 3.388 -9.749 0.480 1.00 0.80 O ATOM 204 CB GLU A 15 1.844 -10.299 -1.842 1.00 0.74 C ATOM 205 CG GLU A 15 0.691 -10.099 -2.846 1.00 1.74 C ATOM 206 CD GLU A 15 0.966 -10.533 -4.291 1.00 2.85 C ATOM 207 OE1 GLU A 15 0.158 -10.121 -5.158 1.00 3.76 O ATOM 208 OE2 GLU A 15 1.934 -11.291 -4.512 1.00 3.66 O ATOM 0 H GLU A 15 4.702 -9.966 -2.554 1.00 1.03 H new ATOM 0 HA GLU A 15 2.355 -8.245 -2.052 1.00 0.84 H new ATOM 0 HB2 GLU A 15 2.345 -11.240 -2.067 1.00 0.74 H new ATOM 0 HB3 GLU A 15 1.424 -10.393 -0.841 1.00 0.74 H new ATOM 0 HG2 GLU A 15 -0.178 -10.648 -2.483 1.00 1.74 H new ATOM 0 HG3 GLU A 15 0.421 -9.043 -2.851 1.00 1.74 H new ATOM 215 N LYS A 16 4.318 -7.880 -0.342 1.00 0.92 N ATOM 216 CA LYS A 16 5.048 -7.515 0.873 1.00 0.93 C ATOM 217 C LYS A 16 4.540 -6.152 1.362 1.00 0.84 C ATOM 218 O LYS A 16 4.699 -5.153 0.664 1.00 0.91 O ATOM 219 CB LYS A 16 6.560 -7.509 0.569 1.00 1.11 C ATOM 220 CG LYS A 16 6.984 -8.834 -0.089 1.00 1.16 C ATOM 221 CD LYS A 16 8.496 -9.091 -0.165 1.00 1.31 C ATOM 222 CE LYS A 16 9.099 -8.547 -1.464 1.00 1.38 C ATOM 223 NZ LYS A 16 10.506 -8.981 -1.638 1.00 1.60 N ATOM 0 H LYS A 16 4.434 -7.205 -1.098 1.00 0.92 H new ATOM 0 HA LYS A 16 4.878 -8.238 1.671 1.00 0.93 H new ATOM 0 HB2 LYS A 16 6.801 -6.675 -0.091 1.00 1.11 H new ATOM 0 HB3 LYS A 16 7.121 -7.358 1.491 1.00 1.11 H new ATOM 0 HG2 LYS A 16 6.523 -9.654 0.461 1.00 1.16 H new ATOM 0 HG3 LYS A 16 6.579 -8.861 -1.101 1.00 1.16 H new ATOM 0 HD2 LYS A 16 8.988 -8.624 0.688 1.00 1.31 H new ATOM 0 HD3 LYS A 16 8.687 -10.162 -0.096 1.00 1.31 H new ATOM 0 HE2 LYS A 16 8.505 -8.888 -2.312 1.00 1.38 H new ATOM 0 HE3 LYS A 16 9.052 -7.458 -1.459 1.00 1.38 H new ATOM 0 HZ1 LYS A 16 10.688 -9.174 -2.644 1.00 1.60 H new ATOM 0 HZ2 LYS A 16 11.144 -8.229 -1.309 1.00 1.60 H new ATOM 0 HZ3 LYS A 16 10.674 -9.845 -1.084 1.00 1.60 H new ATOM 237 N CYS A 17 3.906 -6.101 2.538 1.00 0.73 N ATOM 238 CA CYS A 17 3.414 -4.878 3.171 1.00 0.66 C ATOM 239 C CYS A 17 4.638 -4.096 3.661 1.00 0.82 C ATOM 240 O CYS A 17 5.187 -4.400 4.722 1.00 1.03 O ATOM 241 CB CYS A 17 2.501 -5.275 4.358 1.00 0.64 C ATOM 242 SG CYS A 17 1.637 -3.874 5.157 1.00 0.67 S ATOM 0 H CYS A 17 3.716 -6.937 3.091 1.00 0.73 H new ATOM 0 HA CYS A 17 2.837 -4.262 2.481 1.00 0.66 H new ATOM 0 HB2 CYS A 17 1.757 -5.989 4.004 1.00 0.64 H new ATOM 0 HB3 CYS A 17 3.104 -5.788 5.107 1.00 0.64 H new ATOM 247 N THR A 18 5.062 -3.052 2.938 1.00 0.86 N ATOM 248 CA THR A 18 6.220 -2.274 3.372 1.00 1.07 C ATOM 249 C THR A 18 5.747 -1.086 4.206 1.00 0.85 C ATOM 250 O THR A 18 6.377 -0.029 4.197 1.00 0.80 O ATOM 251 CB THR A 18 7.089 -1.830 2.184 1.00 1.41 C ATOM 252 OG1 THR A 18 6.419 -0.856 1.422 1.00 1.47 O ATOM 253 CG2 THR A 18 7.490 -2.995 1.276 1.00 1.50 C ATOM 0 H THR A 18 4.630 -2.735 2.070 1.00 0.86 H new ATOM 0 HA THR A 18 6.856 -2.907 3.992 1.00 1.07 H new ATOM 0 HB THR A 18 8.002 -1.411 2.608 1.00 1.41 H new ATOM 0 HG1 THR A 18 6.985 -0.582 0.670 1.00 1.47 H new ATOM 0 HG21 THR A 18 8.102 -2.622 0.455 1.00 1.50 H new ATOM 0 HG22 THR A 18 8.060 -3.725 1.851 1.00 1.50 H new ATOM 0 HG23 THR A 18 6.594 -3.469 0.875 1.00 1.50 H new ATOM 261 N ILE A 19 4.617 -1.244 4.900 1.00 0.81 N ATOM 262 CA ILE A 19 4.131 -0.299 5.878 1.00 0.74 C ATOM 263 C ILE A 19 4.220 -0.966 7.248 1.00 0.89 C ATOM 264 O ILE A 19 4.989 -0.518 8.090 1.00 1.09 O ATOM 265 CB ILE A 19 2.709 0.106 5.536 1.00 0.52 C ATOM 266 CG1 ILE A 19 2.640 0.494 4.043 1.00 0.60 C ATOM 267 CG2 ILE A 19 2.245 1.102 6.592 1.00 0.61 C ATOM 268 CD1 ILE A 19 1.581 1.463 3.597 1.00 0.81 C ATOM 0 H ILE A 19 4.009 -2.055 4.786 1.00 0.81 H new ATOM 0 HA ILE A 19 4.730 0.612 5.883 1.00 0.74 H new ATOM 0 HB ILE A 19 1.972 -0.694 5.597 1.00 0.52 H new ATOM 0 HG12 ILE A 19 3.608 0.911 3.765 1.00 0.60 H new ATOM 0 HG13 ILE A 19 2.511 -0.423 3.469 1.00 0.60 H new ATOM 0 HG21 ILE A 19 1.223 1.414 6.374 1.00 0.61 H new ATOM 0 HG22 ILE A 19 2.279 0.632 7.575 1.00 0.61 H new ATOM 0 HG23 ILE A 19 2.900 1.973 6.583 1.00 0.61 H new ATOM 0 HD11 ILE A 19 1.669 1.629 2.523 1.00 0.81 H new ATOM 0 HD12 ILE A 19 0.596 1.054 3.822 1.00 0.81 H new ATOM 0 HD13 ILE A 19 1.709 2.409 4.122 1.00 0.81 H new ATOM 280 N CYS A 20 3.467 -2.056 7.458 1.00 0.92 N ATOM 281 CA CYS A 20 3.510 -2.823 8.697 1.00 1.17 C ATOM 282 C CYS A 20 4.684 -3.810 8.699 1.00 1.34 C ATOM 283 O CYS A 20 4.791 -4.625 9.614 1.00 1.56 O ATOM 284 CB CYS A 20 2.189 -3.587 8.869 1.00 1.23 C ATOM 285 SG CYS A 20 1.945 -4.838 7.566 1.00 1.34 S ATOM 0 H CYS A 20 2.813 -2.425 6.768 1.00 0.92 H new ATOM 0 HA CYS A 20 3.650 -2.130 9.527 1.00 1.17 H new ATOM 0 HB2 CYS A 20 2.176 -4.073 9.844 1.00 1.23 H new ATOM 0 HB3 CYS A 20 1.358 -2.882 8.854 1.00 1.23 H new ATOM 290 N LEU A 21 5.562 -3.752 7.690 1.00 1.36 N ATOM 291 CA LEU A 21 6.824 -4.477 7.648 1.00 1.61 C ATOM 292 C LEU A 21 6.587 -5.979 7.789 1.00 1.68 C ATOM 293 O LEU A 21 7.298 -6.660 8.524 1.00 1.86 O ATOM 294 CB LEU A 21 7.784 -3.930 8.725 1.00 1.98 C ATOM 295 CG LEU A 21 7.965 -2.402 8.676 1.00 2.07 C ATOM 296 CD1 LEU A 21 8.735 -1.895 9.900 1.00 2.29 C ATOM 297 CD2 LEU A 21 8.700 -1.969 7.404 1.00 2.06 C ATOM 0 H LEU A 21 5.403 -3.181 6.860 1.00 1.36 H new ATOM 0 HA LEU A 21 7.297 -4.322 6.678 1.00 1.61 H new ATOM 0 HB2 LEU A 21 7.409 -4.211 9.709 1.00 1.98 H new ATOM 0 HB3 LEU A 21 8.757 -4.406 8.607 1.00 1.98 H new ATOM 0 HG LEU A 21 6.967 -1.965 8.676 1.00 2.07 H new ATOM 0 HD11 LEU A 21 8.847 -0.813 9.837 1.00 2.29 H new ATOM 0 HD12 LEU A 21 8.186 -2.151 10.807 1.00 2.29 H new ATOM 0 HD13 LEU A 21 9.720 -2.361 9.929 1.00 2.29 H new ATOM 0 HD21 LEU A 21 8.812 -0.885 7.400 1.00 2.06 H new ATOM 0 HD22 LEU A 21 9.685 -2.436 7.376 1.00 2.06 H new ATOM 0 HD23 LEU A 21 8.127 -2.278 6.530 1.00 2.06 H new ATOM 309 N SER A 22 5.602 -6.508 7.059 1.00 1.57 N ATOM 310 CA SER A 22 5.285 -7.928 7.075 1.00 1.66 C ATOM 311 C SER A 22 5.006 -8.395 5.655 1.00 1.30 C ATOM 312 O SER A 22 4.538 -7.629 4.821 1.00 1.08 O ATOM 313 CB SER A 22 4.068 -8.198 7.964 1.00 1.83 C ATOM 314 OG SER A 22 4.169 -7.551 9.220 1.00 2.03 O ATOM 0 H SER A 22 5.004 -5.959 6.441 1.00 1.57 H new ATOM 0 HA SER A 22 6.134 -8.478 7.482 1.00 1.66 H new ATOM 0 HB2 SER A 22 3.166 -7.860 7.454 1.00 1.83 H new ATOM 0 HB3 SER A 22 3.964 -9.272 8.118 1.00 1.83 H new ATOM 0 HG SER A 22 4.221 -6.582 9.085 1.00 2.03 H new ATOM 320 N ILE A 23 5.298 -9.654 5.365 1.00 1.32 N ATOM 321 CA ILE A 23 4.923 -10.283 4.113 1.00 1.11 C ATOM 322 C ILE A 23 3.475 -10.754 4.277 1.00 0.95 C ATOM 323 O ILE A 23 2.972 -10.796 5.402 1.00 1.11 O ATOM 324 CB ILE A 23 5.886 -11.449 3.829 1.00 1.35 C ATOM 325 CG1 ILE A 23 7.365 -11.089 4.090 1.00 1.94 C ATOM 326 CG2 ILE A 23 5.707 -11.915 2.385 1.00 1.12 C ATOM 327 CD1 ILE A 23 7.816 -9.746 3.505 1.00 1.25 C ATOM 0 H ILE A 23 5.806 -10.271 5.999 1.00 1.32 H new ATOM 0 HA ILE A 23 4.989 -9.601 3.265 1.00 1.11 H new ATOM 0 HB ILE A 23 5.635 -12.252 4.522 1.00 1.35 H new ATOM 0 HG12 ILE A 23 7.536 -11.075 5.166 1.00 1.94 H new ATOM 0 HG13 ILE A 23 7.994 -11.878 3.677 1.00 1.94 H new ATOM 0 HG21 ILE A 23 6.389 -12.741 2.182 1.00 1.12 H new ATOM 0 HG22 ILE A 23 4.680 -12.247 2.234 1.00 1.12 H new ATOM 0 HG23 ILE A 23 5.925 -11.090 1.707 1.00 1.12 H new ATOM 0 HD11 ILE A 23 8.868 -9.582 3.740 1.00 1.25 H new ATOM 0 HD12 ILE A 23 7.683 -9.757 2.423 1.00 1.25 H new ATOM 0 HD13 ILE A 23 7.218 -8.943 3.935 1.00 1.25 H new ATOM 339 N LEU A 24 2.796 -11.074 3.177 1.00 0.81 N ATOM 340 CA LEU A 24 1.400 -11.471 3.191 1.00 0.83 C ATOM 341 C LEU A 24 1.291 -12.964 2.868 1.00 0.91 C ATOM 342 O LEU A 24 1.430 -13.769 3.783 1.00 1.03 O ATOM 343 CB LEU A 24 0.642 -10.545 2.237 1.00 0.78 C ATOM 344 CG LEU A 24 0.847 -9.059 2.558 1.00 0.75 C ATOM 345 CD1 LEU A 24 0.275 -8.250 1.405 1.00 1.03 C ATOM 346 CD2 LEU A 24 0.167 -8.689 3.870 1.00 1.07 C ATOM 0 H LEU A 24 3.209 -11.063 2.244 1.00 0.81 H new ATOM 0 HA LEU A 24 0.940 -11.359 4.173 1.00 0.83 H new ATOM 0 HB2 LEU A 24 0.968 -10.739 1.215 1.00 0.78 H new ATOM 0 HB3 LEU A 24 -0.422 -10.778 2.282 1.00 0.78 H new ATOM 0 HG LEU A 24 1.909 -8.844 2.676 1.00 0.75 H new ATOM 0 HD11 LEU A 24 0.407 -7.187 1.606 1.00 1.03 H new ATOM 0 HD12 LEU A 24 0.795 -8.512 0.483 1.00 1.03 H new ATOM 0 HD13 LEU A 24 -0.787 -8.470 1.298 1.00 1.03 H new ATOM 0 HD21 LEU A 24 0.326 -7.631 4.076 1.00 1.07 H new ATOM 0 HD22 LEU A 24 -0.902 -8.887 3.794 1.00 1.07 H new ATOM 0 HD23 LEU A 24 0.590 -9.284 4.679 1.00 1.07 H new ATOM 358 N GLU A 25 1.101 -13.323 1.593 1.00 0.94 N ATOM 359 CA GLU A 25 1.145 -14.673 1.034 1.00 1.07 C ATOM 360 C GLU A 25 -0.143 -15.448 1.337 1.00 1.30 C ATOM 361 O GLU A 25 -0.356 -15.881 2.466 1.00 1.90 O ATOM 362 CB GLU A 25 2.376 -15.485 1.477 1.00 1.33 C ATOM 363 CG GLU A 25 3.694 -14.720 1.575 1.00 1.03 C ATOM 364 CD GLU A 25 4.889 -15.658 1.782 1.00 1.23 C ATOM 365 OE1 GLU A 25 5.090 -16.546 0.923 1.00 2.28 O ATOM 366 OE2 GLU A 25 5.586 -15.489 2.811 1.00 1.86 O ATOM 0 H GLU A 25 0.898 -12.626 0.877 1.00 0.94 H new ATOM 0 HA GLU A 25 1.233 -14.537 -0.044 1.00 1.07 H new ATOM 0 HB2 GLU A 25 2.163 -15.925 2.451 1.00 1.33 H new ATOM 0 HB3 GLU A 25 2.511 -16.310 0.778 1.00 1.33 H new ATOM 0 HG2 GLU A 25 3.844 -14.138 0.666 1.00 1.03 H new ATOM 0 HG3 GLU A 25 3.641 -14.012 2.402 1.00 1.03 H new ATOM 373 N GLU A 26 -0.968 -15.660 0.308 1.00 1.94 N ATOM 374 CA GLU A 26 -2.316 -16.221 0.348 1.00 2.41 C ATOM 375 C GLU A 26 -3.277 -15.377 1.195 1.00 1.80 C ATOM 376 O GLU A 26 -3.060 -15.102 2.373 1.00 2.08 O ATOM 377 CB GLU A 26 -2.312 -17.684 0.809 1.00 3.48 C ATOM 378 CG GLU A 26 -1.572 -18.630 -0.150 1.00 4.60 C ATOM 379 CD GLU A 26 -2.463 -19.087 -1.309 1.00 6.10 C ATOM 380 OE1 GLU A 26 -3.307 -18.275 -1.749 1.00 6.74 O ATOM 381 OE2 GLU A 26 -2.306 -20.257 -1.726 1.00 7.11 O ATOM 0 H GLU A 26 -0.688 -15.426 -0.644 1.00 1.94 H new ATOM 0 HA GLU A 26 -2.687 -16.197 -0.677 1.00 2.41 H new ATOM 0 HB2 GLU A 26 -1.849 -17.744 1.794 1.00 3.48 H new ATOM 0 HB3 GLU A 26 -3.342 -18.024 0.919 1.00 3.48 H new ATOM 0 HG2 GLU A 26 -0.691 -18.126 -0.547 1.00 4.60 H new ATOM 0 HG3 GLU A 26 -1.219 -19.502 0.401 1.00 4.60 H new ATOM 388 N GLY A 27 -4.403 -14.991 0.600 1.00 2.10 N ATOM 389 CA GLY A 27 -5.418 -14.204 1.293 1.00 2.29 C ATOM 390 C GLY A 27 -4.919 -12.785 1.552 1.00 1.99 C ATOM 391 O GLY A 27 -5.134 -12.215 2.620 1.00 2.14 O ATOM 0 H GLY A 27 -4.636 -15.213 -0.368 1.00 2.10 H new ATOM 0 HA2 GLY A 27 -6.329 -14.171 0.696 1.00 2.29 H new ATOM 0 HA3 GLY A 27 -5.673 -14.683 2.238 1.00 2.29 H new ATOM 395 N GLU A 28 -4.235 -12.205 0.571 1.00 2.54 N ATOM 396 CA GLU A 28 -3.587 -10.925 0.718 1.00 2.92 C ATOM 397 C GLU A 28 -4.590 -9.793 0.504 1.00 2.22 C ATOM 398 O GLU A 28 -5.039 -9.496 -0.603 1.00 2.36 O ATOM 399 CB GLU A 28 -2.438 -10.793 -0.266 1.00 4.16 C ATOM 400 CG GLU A 28 -1.448 -11.968 -0.195 1.00 5.41 C ATOM 401 CD GLU A 28 -1.654 -13.080 -1.230 1.00 7.57 C ATOM 402 OE1 GLU A 28 -0.618 -13.641 -1.646 1.00 8.89 O ATOM 403 OE2 GLU A 28 -2.819 -13.437 -1.521 1.00 8.25 O ATOM 0 H GLU A 28 -4.119 -12.621 -0.353 1.00 2.54 H new ATOM 0 HA GLU A 28 -3.190 -10.857 1.731 1.00 2.92 H new ATOM 0 HB2 GLU A 28 -2.839 -10.724 -1.277 1.00 4.16 H new ATOM 0 HB3 GLU A 28 -1.904 -9.863 -0.070 1.00 4.16 H new ATOM 0 HG2 GLU A 28 -0.438 -11.574 -0.309 1.00 5.41 H new ATOM 0 HG3 GLU A 28 -1.508 -12.409 0.800 1.00 5.41 H new ATOM 410 N ASP A 29 -4.916 -9.128 1.598 1.00 1.80 N ATOM 411 CA ASP A 29 -5.925 -8.080 1.651 1.00 1.17 C ATOM 412 C ASP A 29 -5.283 -6.750 1.272 1.00 1.02 C ATOM 413 O ASP A 29 -5.036 -5.894 2.125 1.00 1.27 O ATOM 414 CB ASP A 29 -6.547 -7.996 3.051 1.00 1.46 C ATOM 415 CG ASP A 29 -7.645 -9.027 3.291 1.00 2.19 C ATOM 416 OD1 ASP A 29 -7.759 -9.468 4.455 1.00 3.30 O ATOM 417 OD2 ASP A 29 -8.390 -9.308 2.325 1.00 2.84 O ATOM 0 H ASP A 29 -4.475 -9.306 2.500 1.00 1.80 H new ATOM 0 HA ASP A 29 -6.722 -8.313 0.945 1.00 1.17 H new ATOM 0 HB2 ASP A 29 -5.764 -8.131 3.797 1.00 1.46 H new ATOM 0 HB3 ASP A 29 -6.959 -6.997 3.198 1.00 1.46 H new ATOM 422 N VAL A 30 -4.992 -6.565 -0.014 1.00 1.07 N ATOM 423 CA VAL A 30 -4.267 -5.393 -0.488 1.00 1.05 C ATOM 424 C VAL A 30 -5.189 -4.463 -1.274 1.00 0.99 C ATOM 425 O VAL A 30 -5.629 -4.762 -2.383 1.00 1.72 O ATOM 426 CB VAL A 30 -2.989 -5.794 -1.241 1.00 1.43 C ATOM 427 CG1 VAL A 30 -1.982 -6.382 -0.246 1.00 1.91 C ATOM 428 CG2 VAL A 30 -3.210 -6.835 -2.344 1.00 1.74 C ATOM 0 H VAL A 30 -5.251 -7.220 -0.751 1.00 1.07 H new ATOM 0 HA VAL A 30 -3.926 -4.816 0.372 1.00 1.05 H new ATOM 0 HB VAL A 30 -2.627 -4.883 -1.718 1.00 1.43 H new ATOM 0 HG11 VAL A 30 -1.073 -6.668 -0.775 1.00 1.91 H new ATOM 0 HG12 VAL A 30 -1.741 -5.636 0.512 1.00 1.91 H new ATOM 0 HG13 VAL A 30 -2.415 -7.260 0.234 1.00 1.91 H new ATOM 0 HG21 VAL A 30 -2.259 -7.062 -2.826 1.00 1.74 H new ATOM 0 HG22 VAL A 30 -3.623 -7.745 -1.908 1.00 1.74 H new ATOM 0 HG23 VAL A 30 -3.906 -6.439 -3.084 1.00 1.74 H new ATOM 438 N ARG A 31 -5.502 -3.300 -0.697 1.00 0.81 N ATOM 439 CA ARG A 31 -6.324 -2.315 -1.379 1.00 0.81 C ATOM 440 C ARG A 31 -5.399 -1.498 -2.275 1.00 0.88 C ATOM 441 O ARG A 31 -4.879 -0.467 -1.858 1.00 1.60 O ATOM 442 CB ARG A 31 -7.075 -1.428 -0.370 1.00 0.95 C ATOM 443 CG ARG A 31 -8.263 -0.742 -1.060 1.00 1.15 C ATOM 444 CD ARG A 31 -9.531 -1.578 -0.844 1.00 2.36 C ATOM 445 NE ARG A 31 -10.582 -1.271 -1.826 1.00 3.09 N ATOM 446 CZ ARG A 31 -11.820 -1.783 -1.791 1.00 4.17 C ATOM 447 NH1 ARG A 31 -12.669 -1.554 -2.794 1.00 5.05 N ATOM 448 NH2 ARG A 31 -12.206 -2.530 -0.755 1.00 4.93 N ATOM 0 H ARG A 31 -5.197 -3.024 0.237 1.00 0.81 H new ATOM 0 HA ARG A 31 -7.091 -2.802 -1.981 1.00 0.81 H new ATOM 0 HB2 ARG A 31 -7.428 -2.032 0.466 1.00 0.95 H new ATOM 0 HB3 ARG A 31 -6.400 -0.678 0.041 1.00 0.95 H new ATOM 0 HG2 ARG A 31 -8.402 0.261 -0.656 1.00 1.15 H new ATOM 0 HG3 ARG A 31 -8.064 -0.632 -2.126 1.00 1.15 H new ATOM 0 HD2 ARG A 31 -9.279 -2.637 -0.905 1.00 2.36 H new ATOM 0 HD3 ARG A 31 -9.914 -1.399 0.161 1.00 2.36 H new ATOM 0 HE ARG A 31 -10.354 -0.626 -2.583 1.00 3.09 H new ATOM 0 HH11 ARG A 31 -12.377 -0.988 -3.590 1.00 5.05 H new ATOM 0 HH12 ARG A 31 -13.611 -1.945 -2.765 1.00 5.05 H new ATOM 0 HH21 ARG A 31 -11.558 -2.712 0.012 1.00 4.93 H new ATOM 0 HH22 ARG A 31 -13.149 -2.919 -0.730 1.00 4.93 H new ATOM 462 N ARG A 32 -5.168 -1.956 -3.506 1.00 0.54 N ATOM 463 CA ARG A 32 -4.330 -1.203 -4.429 1.00 0.56 C ATOM 464 C ARG A 32 -4.920 0.180 -4.639 1.00 0.64 C ATOM 465 O ARG A 32 -6.083 0.320 -5.014 1.00 1.00 O ATOM 466 CB ARG A 32 -4.133 -1.915 -5.769 1.00 0.63 C ATOM 467 CG ARG A 32 -5.451 -2.297 -6.450 1.00 1.24 C ATOM 468 CD ARG A 32 -5.655 -1.601 -7.799 1.00 1.20 C ATOM 469 NE ARG A 32 -6.847 -2.135 -8.479 1.00 1.66 N ATOM 470 CZ ARG A 32 -7.095 -2.073 -9.794 1.00 2.03 C ATOM 471 NH1 ARG A 32 -8.173 -2.678 -10.297 1.00 2.48 N ATOM 472 NH2 ARG A 32 -6.267 -1.412 -10.604 1.00 2.76 N ATOM 0 H ARG A 32 -5.543 -2.828 -3.879 1.00 0.54 H new ATOM 0 HA ARG A 32 -3.341 -1.118 -3.979 1.00 0.56 H new ATOM 0 HB2 ARG A 32 -3.561 -1.269 -6.435 1.00 0.63 H new ATOM 0 HB3 ARG A 32 -3.539 -2.815 -5.611 1.00 0.63 H new ATOM 0 HG2 ARG A 32 -5.477 -3.377 -6.598 1.00 1.24 H new ATOM 0 HG3 ARG A 32 -6.281 -2.045 -5.789 1.00 1.24 H new ATOM 0 HD2 ARG A 32 -5.766 -0.527 -7.648 1.00 1.20 H new ATOM 0 HD3 ARG A 32 -4.776 -1.746 -8.426 1.00 1.20 H new ATOM 0 HE ARG A 32 -7.547 -2.594 -7.896 1.00 1.66 H new ATOM 0 HH11 ARG A 32 -8.807 -3.187 -9.680 1.00 2.48 H new ATOM 0 HH12 ARG A 32 -8.363 -2.632 -11.298 1.00 2.48 H new ATOM 0 HH21 ARG A 32 -5.441 -0.951 -10.223 1.00 2.76 H new ATOM 0 HH22 ARG A 32 -6.460 -1.368 -11.605 1.00 2.76 H new ATOM 486 N LEU A 33 -4.105 1.196 -4.392 1.00 0.53 N ATOM 487 CA LEU A 33 -4.481 2.571 -4.552 1.00 0.57 C ATOM 488 C LEU A 33 -4.688 2.872 -6.031 1.00 0.63 C ATOM 489 O LEU A 33 -4.088 2.221 -6.890 1.00 0.65 O ATOM 490 CB LEU A 33 -3.350 3.446 -3.997 1.00 0.66 C ATOM 491 CG LEU A 33 -3.180 3.391 -2.468 1.00 0.82 C ATOM 492 CD1 LEU A 33 -4.516 3.388 -1.718 1.00 2.78 C ATOM 493 CD2 LEU A 33 -2.359 2.187 -2.015 1.00 1.48 C ATOM 0 H LEU A 33 -3.146 1.072 -4.068 1.00 0.53 H new ATOM 0 HA LEU A 33 -5.409 2.776 -4.018 1.00 0.57 H new ATOM 0 HB2 LEU A 33 -2.413 3.142 -4.463 1.00 0.66 H new ATOM 0 HB3 LEU A 33 -3.532 4.480 -4.291 1.00 0.66 H new ATOM 0 HG LEU A 33 -2.642 4.305 -2.218 1.00 0.82 H new ATOM 0 HD11 LEU A 33 -4.331 3.348 -0.645 1.00 2.78 H new ATOM 0 HD12 LEU A 33 -5.070 4.296 -1.957 1.00 2.78 H new ATOM 0 HD13 LEU A 33 -5.100 2.518 -2.018 1.00 2.78 H new ATOM 0 HD21 LEU A 33 -2.269 2.196 -0.929 1.00 1.48 H new ATOM 0 HD22 LEU A 33 -2.855 1.269 -2.331 1.00 1.48 H new ATOM 0 HD23 LEU A 33 -1.366 2.235 -2.462 1.00 1.48 H new ATOM 505 N PRO A 34 -5.455 3.928 -6.339 1.00 0.73 N ATOM 506 CA PRO A 34 -5.680 4.368 -7.704 1.00 0.84 C ATOM 507 C PRO A 34 -4.394 4.835 -8.395 1.00 0.89 C ATOM 508 O PRO A 34 -4.390 4.987 -9.612 1.00 1.05 O ATOM 509 CB PRO A 34 -6.728 5.484 -7.603 1.00 0.98 C ATOM 510 CG PRO A 34 -6.551 6.023 -6.185 1.00 0.96 C ATOM 511 CD PRO A 34 -6.179 4.770 -5.399 1.00 0.83 C ATOM 0 HA PRO A 34 -6.030 3.547 -8.329 1.00 0.84 H new ATOM 0 HB2 PRO A 34 -6.559 6.260 -8.350 1.00 0.98 H new ATOM 0 HB3 PRO A 34 -7.736 5.102 -7.763 1.00 0.98 H new ATOM 0 HG2 PRO A 34 -5.769 6.781 -6.134 1.00 0.96 H new ATOM 0 HG3 PRO A 34 -7.465 6.482 -5.808 1.00 0.96 H new ATOM 0 HD2 PRO A 34 -5.561 5.016 -4.535 1.00 0.83 H new ATOM 0 HD3 PRO A 34 -7.068 4.264 -5.022 1.00 0.83 H new ATOM 519 N CYS A 35 -3.286 5.020 -7.665 1.00 0.79 N ATOM 520 CA CYS A 35 -2.033 5.486 -8.239 1.00 0.90 C ATOM 521 C CYS A 35 -1.122 4.287 -8.542 1.00 0.92 C ATOM 522 O CYS A 35 0.111 4.403 -8.435 1.00 1.02 O ATOM 523 CB CYS A 35 -1.408 6.477 -7.241 1.00 0.91 C ATOM 524 SG CYS A 35 -0.400 5.686 -5.951 1.00 1.26 S ATOM 0 H CYS A 35 -3.241 4.849 -6.661 1.00 0.79 H new ATOM 0 HA CYS A 35 -2.188 5.999 -9.188 1.00 0.90 H new ATOM 0 HB2 CYS A 35 -0.788 7.187 -7.789 1.00 0.91 H new ATOM 0 HB3 CYS A 35 -2.204 7.050 -6.766 1.00 0.91 H new ATOM 529 N MET A 36 -1.727 3.139 -8.875 1.00 0.93 N ATOM 530 CA MET A 36 -1.086 1.852 -9.090 1.00 0.93 C ATOM 531 C MET A 36 -0.048 1.557 -8.014 1.00 0.90 C ATOM 532 O MET A 36 1.155 1.661 -8.245 1.00 0.98 O ATOM 533 CB MET A 36 -0.472 1.781 -10.495 1.00 1.04 C ATOM 534 CG MET A 36 -1.530 1.728 -11.597 1.00 1.33 C ATOM 535 SD MET A 36 -2.472 0.177 -11.653 1.00 2.63 S ATOM 536 CE MET A 36 -2.569 -0.024 -13.451 1.00 3.00 C ATOM 0 H MET A 36 -2.737 3.090 -9.007 1.00 0.93 H new ATOM 0 HA MET A 36 -1.852 1.080 -9.017 1.00 0.93 H new ATOM 0 HB2 MET A 36 0.168 2.649 -10.652 1.00 1.04 H new ATOM 0 HB3 MET A 36 0.165 0.899 -10.565 1.00 1.04 H new ATOM 0 HG2 MET A 36 -2.224 2.557 -11.458 1.00 1.33 H new ATOM 0 HG3 MET A 36 -1.043 1.879 -12.560 1.00 1.33 H new ATOM 0 HE1 MET A 36 -3.119 -0.935 -13.686 1.00 3.00 H new ATOM 0 HE2 MET A 36 -3.083 0.833 -13.886 1.00 3.00 H new ATOM 0 HE3 MET A 36 -1.563 -0.091 -13.864 1.00 3.00 H new ATOM 546 N HIS A 37 -0.505 1.176 -6.824 1.00 0.86 N ATOM 547 CA HIS A 37 0.400 0.821 -5.745 1.00 0.87 C ATOM 548 C HIS A 37 -0.300 -0.191 -4.845 1.00 0.91 C ATOM 549 O HIS A 37 -1.383 0.097 -4.342 1.00 1.43 O ATOM 550 CB HIS A 37 0.810 2.101 -4.999 1.00 0.88 C ATOM 551 CG HIS A 37 2.182 2.575 -5.414 1.00 0.97 C ATOM 552 ND1 HIS A 37 2.508 3.631 -6.279 1.00 0.95 N ATOM 553 CD2 HIS A 37 3.334 1.958 -5.014 1.00 1.21 C ATOM 554 CE1 HIS A 37 3.844 3.614 -6.373 1.00 1.16 C ATOM 555 NE2 HIS A 37 4.370 2.625 -5.625 1.00 1.34 N ATOM 0 H HIS A 37 -1.495 1.107 -6.587 1.00 0.86 H new ATOM 0 HA HIS A 37 1.314 0.358 -6.118 1.00 0.87 H new ATOM 0 HB2 HIS A 37 0.079 2.886 -5.195 1.00 0.88 H new ATOM 0 HB3 HIS A 37 0.799 1.916 -3.925 1.00 0.88 H new ATOM 0 HD2 HIS A 37 3.415 1.112 -4.348 1.00 1.21 H new ATOM 0 HE1 HIS A 37 4.423 4.303 -6.970 1.00 1.16 H new ATOM 0 HE2 HIS A 37 5.362 2.409 -5.529 1.00 1.34 H new ATOM 563 N LEU A 38 0.277 -1.386 -4.677 1.00 0.71 N ATOM 564 CA LEU A 38 -0.291 -2.428 -3.827 1.00 0.72 C ATOM 565 C LEU A 38 0.125 -2.145 -2.391 1.00 0.73 C ATOM 566 O LEU A 38 1.286 -1.843 -2.144 1.00 1.06 O ATOM 567 CB LEU A 38 0.141 -3.826 -4.323 1.00 1.15 C ATOM 568 CG LEU A 38 1.282 -4.538 -3.563 1.00 1.46 C ATOM 569 CD1 LEU A 38 0.729 -5.401 -2.426 1.00 2.04 C ATOM 570 CD2 LEU A 38 2.067 -5.404 -4.536 1.00 2.17 C ATOM 0 H LEU A 38 1.151 -1.654 -5.129 1.00 0.71 H new ATOM 0 HA LEU A 38 -1.380 -2.422 -3.874 1.00 0.72 H new ATOM 0 HB2 LEU A 38 -0.734 -4.475 -4.299 1.00 1.15 H new ATOM 0 HB3 LEU A 38 0.440 -3.733 -5.367 1.00 1.15 H new ATOM 0 HG LEU A 38 1.937 -3.784 -3.127 1.00 1.46 H new ATOM 0 HD11 LEU A 38 1.553 -5.891 -1.907 1.00 2.04 H new ATOM 0 HD12 LEU A 38 0.182 -4.771 -1.724 1.00 2.04 H new ATOM 0 HD13 LEU A 38 0.058 -6.156 -2.836 1.00 2.04 H new ATOM 0 HD21 LEU A 38 2.874 -5.909 -4.005 1.00 2.17 H new ATOM 0 HD22 LEU A 38 1.404 -6.147 -4.979 1.00 2.17 H new ATOM 0 HD23 LEU A 38 2.487 -4.778 -5.323 1.00 2.17 H new ATOM 582 N PHE A 39 -0.816 -2.240 -1.454 1.00 0.74 N ATOM 583 CA PHE A 39 -0.562 -2.160 -0.027 1.00 0.98 C ATOM 584 C PHE A 39 -1.759 -2.796 0.677 1.00 1.35 C ATOM 585 O PHE A 39 -2.876 -2.768 0.163 1.00 2.77 O ATOM 586 CB PHE A 39 -0.390 -0.703 0.425 1.00 1.10 C ATOM 587 CG PHE A 39 0.927 -0.056 0.036 1.00 0.90 C ATOM 588 CD1 PHE A 39 0.961 0.992 -0.902 1.00 1.61 C ATOM 589 CD2 PHE A 39 2.131 -0.529 0.585 1.00 1.76 C ATOM 590 CE1 PHE A 39 2.184 1.568 -1.290 1.00 1.59 C ATOM 591 CE2 PHE A 39 3.353 0.042 0.195 1.00 2.09 C ATOM 592 CZ PHE A 39 3.384 1.089 -0.741 1.00 1.40 C ATOM 0 H PHE A 39 -1.801 -2.378 -1.678 1.00 0.74 H new ATOM 0 HA PHE A 39 0.362 -2.681 0.222 1.00 0.98 H new ATOM 0 HB2 PHE A 39 -1.204 -0.111 0.007 1.00 1.10 H new ATOM 0 HB3 PHE A 39 -0.490 -0.662 1.510 1.00 1.10 H new ATOM 0 HD1 PHE A 39 0.039 1.358 -1.328 1.00 1.61 H new ATOM 0 HD2 PHE A 39 2.116 -1.332 1.307 1.00 1.76 H new ATOM 0 HE1 PHE A 39 2.200 2.375 -2.007 1.00 1.59 H new ATOM 0 HE2 PHE A 39 4.276 -0.326 0.618 1.00 2.09 H new ATOM 0 HZ PHE A 39 4.327 1.524 -1.037 1.00 1.40 H new ATOM 602 N HIS A 40 -1.516 -3.386 1.845 1.00 0.64 N ATOM 603 CA HIS A 40 -2.516 -3.982 2.735 1.00 0.68 C ATOM 604 C HIS A 40 -3.521 -2.885 3.100 1.00 0.82 C ATOM 605 O HIS A 40 -3.098 -1.744 3.277 1.00 1.37 O ATOM 606 CB HIS A 40 -1.729 -4.416 3.975 1.00 0.77 C ATOM 607 CG HIS A 40 -2.025 -5.624 4.798 1.00 0.76 C ATOM 608 ND1 HIS A 40 -1.283 -5.829 5.947 1.00 0.87 N ATOM 609 CD2 HIS A 40 -2.911 -6.644 4.616 1.00 0.90 C ATOM 610 CE1 HIS A 40 -1.714 -6.992 6.458 1.00 1.09 C ATOM 611 NE2 HIS A 40 -2.695 -7.502 5.679 1.00 1.13 N ATOM 0 H HIS A 40 -0.570 -3.467 2.217 1.00 0.64 H new ATOM 0 HA HIS A 40 -3.056 -4.821 2.295 1.00 0.68 H new ATOM 0 HB2 HIS A 40 -0.694 -4.522 3.650 1.00 0.77 H new ATOM 0 HB3 HIS A 40 -1.763 -3.570 4.662 1.00 0.77 H new ATOM 0 HD2 HIS A 40 -3.627 -6.757 3.815 1.00 0.90 H new ATOM 0 HE1 HIS A 40 -1.334 -7.453 7.358 1.00 1.09 H new ATOM 0 HE2 HIS A 40 -3.194 -8.376 5.848 1.00 1.13 H new ATOM 619 N GLN A 41 -4.811 -3.176 3.289 1.00 0.90 N ATOM 620 CA GLN A 41 -5.757 -2.123 3.668 1.00 1.12 C ATOM 621 C GLN A 41 -5.258 -1.381 4.918 1.00 1.19 C ATOM 622 O GLN A 41 -5.058 -0.170 4.909 1.00 1.67 O ATOM 623 CB GLN A 41 -7.161 -2.715 3.874 1.00 1.47 C ATOM 624 CG GLN A 41 -8.211 -1.598 3.965 1.00 1.98 C ATOM 625 CD GLN A 41 -9.593 -2.130 4.333 1.00 1.93 C ATOM 626 OE1 GLN A 41 -10.008 -3.185 3.870 1.00 2.07 O ATOM 627 NE2 GLN A 41 -10.337 -1.403 5.156 1.00 3.20 N ATOM 0 H GLN A 41 -5.217 -4.106 3.189 1.00 0.90 H new ATOM 0 HA GLN A 41 -5.824 -1.395 2.860 1.00 1.12 H new ATOM 0 HB2 GLN A 41 -7.404 -3.384 3.048 1.00 1.47 H new ATOM 0 HB3 GLN A 41 -7.179 -3.314 4.785 1.00 1.47 H new ATOM 0 HG2 GLN A 41 -7.896 -0.866 4.709 1.00 1.98 H new ATOM 0 HG3 GLN A 41 -8.267 -1.077 3.009 1.00 1.98 H new ATOM 0 HE21 GLN A 41 -9.974 -0.527 5.532 1.00 3.20 H new ATOM 0 HE22 GLN A 41 -11.272 -1.720 5.413 1.00 3.20 H new ATOM 636 N VAL A 42 -5.003 -2.127 5.993 1.00 0.98 N ATOM 637 CA VAL A 42 -4.572 -1.551 7.262 1.00 1.04 C ATOM 638 C VAL A 42 -3.143 -0.992 7.182 1.00 0.94 C ATOM 639 O VAL A 42 -2.777 -0.159 8.004 1.00 1.45 O ATOM 640 CB VAL A 42 -4.688 -2.602 8.379 1.00 1.06 C ATOM 641 CG1 VAL A 42 -4.574 -1.968 9.772 1.00 1.11 C ATOM 642 CG2 VAL A 42 -6.035 -3.341 8.323 1.00 1.29 C ATOM 0 H VAL A 42 -5.090 -3.143 6.007 1.00 0.98 H new ATOM 0 HA VAL A 42 -5.229 -0.712 7.492 1.00 1.04 H new ATOM 0 HB VAL A 42 -3.866 -3.299 8.215 1.00 1.06 H new ATOM 0 HG11 VAL A 42 -4.661 -2.744 10.533 1.00 1.11 H new ATOM 0 HG12 VAL A 42 -3.608 -1.472 9.868 1.00 1.11 H new ATOM 0 HG13 VAL A 42 -5.372 -1.237 9.906 1.00 1.11 H new ATOM 0 HG21 VAL A 42 -6.081 -4.075 9.127 1.00 1.29 H new ATOM 0 HG22 VAL A 42 -6.848 -2.625 8.439 1.00 1.29 H new ATOM 0 HG23 VAL A 42 -6.132 -3.848 7.363 1.00 1.29 H new ATOM 652 N CYS A 43 -2.311 -1.444 6.231 1.00 0.85 N ATOM 653 CA CYS A 43 -0.982 -0.869 6.047 1.00 1.10 C ATOM 654 C CYS A 43 -1.184 0.599 5.692 1.00 0.79 C ATOM 655 O CYS A 43 -0.635 1.491 6.336 1.00 0.85 O ATOM 656 CB CYS A 43 -0.251 -1.539 4.867 1.00 1.55 C ATOM 657 SG CYS A 43 0.796 -2.953 5.346 1.00 2.14 S ATOM 0 H CYS A 43 -2.538 -2.200 5.585 1.00 0.85 H new ATOM 0 HA CYS A 43 -0.392 -1.009 6.953 1.00 1.10 H new ATOM 0 HB2 CYS A 43 -0.990 -1.877 4.141 1.00 1.55 H new ATOM 0 HB3 CYS A 43 0.369 -0.794 4.368 1.00 1.55 H new ATOM 662 N VAL A 44 -1.921 0.832 4.606 1.00 0.74 N ATOM 663 CA VAL A 44 -2.111 2.162 4.043 1.00 0.88 C ATOM 664 C VAL A 44 -2.524 3.116 5.165 1.00 1.19 C ATOM 665 O VAL A 44 -1.919 4.174 5.350 1.00 1.37 O ATOM 666 CB VAL A 44 -3.187 2.115 2.938 1.00 1.09 C ATOM 667 CG1 VAL A 44 -3.634 3.492 2.430 1.00 2.76 C ATOM 668 CG2 VAL A 44 -2.672 1.325 1.736 1.00 1.50 C ATOM 0 H VAL A 44 -2.405 0.096 4.091 1.00 0.74 H new ATOM 0 HA VAL A 44 -1.183 2.517 3.595 1.00 0.88 H new ATOM 0 HB VAL A 44 -4.049 1.638 3.404 1.00 1.09 H new ATOM 0 HG11 VAL A 44 -4.391 3.366 1.656 1.00 2.76 H new ATOM 0 HG12 VAL A 44 -4.052 4.067 3.256 1.00 2.76 H new ATOM 0 HG13 VAL A 44 -2.777 4.023 2.016 1.00 2.76 H new ATOM 0 HG21 VAL A 44 -3.439 1.298 0.962 1.00 1.50 H new ATOM 0 HG22 VAL A 44 -1.776 1.805 1.342 1.00 1.50 H new ATOM 0 HG23 VAL A 44 -2.433 0.307 2.045 1.00 1.50 H new ATOM 678 N ASP A 45 -3.508 2.699 5.969 1.00 1.31 N ATOM 679 CA ASP A 45 -4.024 3.468 7.100 1.00 1.70 C ATOM 680 C ASP A 45 -3.093 3.393 8.323 1.00 1.82 C ATOM 681 O ASP A 45 -3.544 3.442 9.465 1.00 2.09 O ATOM 682 CB ASP A 45 -5.446 2.986 7.437 1.00 1.90 C ATOM 683 CG ASP A 45 -6.444 3.327 6.331 1.00 1.80 C ATOM 684 OD1 ASP A 45 -7.344 2.491 6.091 1.00 2.12 O ATOM 685 OD2 ASP A 45 -6.291 4.421 5.740 1.00 2.86 O ATOM 0 H ASP A 45 -3.975 1.800 5.847 1.00 1.31 H new ATOM 0 HA ASP A 45 -4.064 4.520 6.816 1.00 1.70 H new ATOM 0 HB2 ASP A 45 -5.435 1.908 7.595 1.00 1.90 H new ATOM 0 HB3 ASP A 45 -5.771 3.442 8.372 1.00 1.90 H new ATOM 690 N GLN A 46 -1.778 3.342 8.098 1.00 1.71 N ATOM 691 CA GLN A 46 -0.749 3.398 9.121 1.00 1.97 C ATOM 692 C GLN A 46 0.368 4.342 8.659 1.00 2.02 C ATOM 693 O GLN A 46 0.702 5.292 9.359 1.00 2.34 O ATOM 694 CB GLN A 46 -0.219 1.992 9.427 1.00 1.96 C ATOM 695 CG GLN A 46 0.166 1.861 10.901 1.00 2.08 C ATOM 696 CD GLN A 46 1.068 0.652 11.126 1.00 2.70 C ATOM 697 OE1 GLN A 46 2.282 0.780 11.201 1.00 3.52 O ATOM 698 NE2 GLN A 46 0.506 -0.545 11.230 1.00 3.22 N ATOM 0 H GLN A 46 -1.393 3.257 7.157 1.00 1.71 H new ATOM 0 HA GLN A 46 -1.169 3.789 10.048 1.00 1.97 H new ATOM 0 HB2 GLN A 46 -0.979 1.251 9.179 1.00 1.96 H new ATOM 0 HB3 GLN A 46 0.648 1.782 8.801 1.00 1.96 H new ATOM 0 HG2 GLN A 46 0.677 2.766 11.229 1.00 2.08 H new ATOM 0 HG3 GLN A 46 -0.734 1.766 11.508 1.00 2.08 H new ATOM 0 HE21 GLN A 46 -0.508 -0.640 11.166 1.00 3.22 H new ATOM 0 HE22 GLN A 46 1.087 -1.371 11.374 1.00 3.22 H new ATOM 707 N ARG A 47 0.957 4.105 7.480 1.00 1.78 N ATOM 708 CA ARG A 47 2.027 4.977 6.977 1.00 1.86 C ATOM 709 C ARG A 47 1.461 6.284 6.444 1.00 1.86 C ATOM 710 O ARG A 47 2.142 7.302 6.511 1.00 2.13 O ATOM 711 CB ARG A 47 2.871 4.277 5.901 1.00 1.69 C ATOM 712 CG ARG A 47 4.051 5.092 5.364 1.00 1.85 C ATOM 713 CD ARG A 47 4.887 4.218 4.415 1.00 1.92 C ATOM 714 NE ARG A 47 6.262 4.725 4.283 1.00 2.24 N ATOM 715 CZ ARG A 47 7.184 4.264 3.428 1.00 2.87 C ATOM 716 NH1 ARG A 47 8.434 4.730 3.482 1.00 3.19 N ATOM 717 NH2 ARG A 47 6.862 3.339 2.522 1.00 3.60 N ATOM 0 H ARG A 47 0.716 3.329 6.864 1.00 1.78 H new ATOM 0 HA ARG A 47 2.682 5.202 7.819 1.00 1.86 H new ATOM 0 HB2 ARG A 47 3.253 3.343 6.313 1.00 1.69 H new ATOM 0 HB3 ARG A 47 2.221 4.015 5.066 1.00 1.69 H new ATOM 0 HG2 ARG A 47 3.688 5.975 4.838 1.00 1.85 H new ATOM 0 HG3 ARG A 47 4.669 5.445 6.190 1.00 1.85 H new ATOM 0 HD2 ARG A 47 4.910 3.194 4.788 1.00 1.92 H new ATOM 0 HD3 ARG A 47 4.413 4.189 3.434 1.00 1.92 H new ATOM 0 HE ARG A 47 6.536 5.493 4.895 1.00 2.24 H new ATOM 0 HH11 ARG A 47 8.686 5.436 4.174 1.00 3.19 H new ATOM 0 HH12 ARG A 47 9.137 4.380 2.832 1.00 3.19 H new ATOM 0 HH21 ARG A 47 5.909 2.979 2.478 1.00 3.60 H new ATOM 0 HH22 ARG A 47 7.569 2.992 1.874 1.00 3.60 H new ATOM 731 N LEU A 48 0.266 6.256 5.848 1.00 1.68 N ATOM 732 CA LEU A 48 -0.315 7.464 5.289 1.00 1.84 C ATOM 733 C LEU A 48 -1.140 8.154 6.372 1.00 2.32 C ATOM 734 O LEU A 48 -0.765 9.238 6.810 1.00 3.84 O ATOM 735 CB LEU A 48 -1.128 7.172 4.017 1.00 1.67 C ATOM 736 CG LEU A 48 -0.320 6.682 2.796 1.00 1.34 C ATOM 737 CD1 LEU A 48 1.000 7.433 2.600 1.00 1.58 C ATOM 738 CD2 LEU A 48 -0.017 5.184 2.848 1.00 0.84 C ATOM 0 H LEU A 48 -0.306 5.418 5.744 1.00 1.68 H new ATOM 0 HA LEU A 48 0.479 8.140 4.972 1.00 1.84 H new ATOM 0 HB2 LEU A 48 -1.881 6.420 4.255 1.00 1.67 H new ATOM 0 HB3 LEU A 48 -1.662 8.079 3.734 1.00 1.67 H new ATOM 0 HG LEU A 48 -0.973 6.891 1.949 1.00 1.34 H new ATOM 0 HD11 LEU A 48 1.517 7.038 1.725 1.00 1.58 H new ATOM 0 HD12 LEU A 48 0.797 8.494 2.454 1.00 1.58 H new ATOM 0 HD13 LEU A 48 1.627 7.302 3.482 1.00 1.58 H new ATOM 0 HD21 LEU A 48 0.553 4.897 1.964 1.00 0.84 H new ATOM 0 HD22 LEU A 48 0.564 4.961 3.743 1.00 0.84 H new ATOM 0 HD23 LEU A 48 -0.952 4.624 2.874 1.00 0.84 H new ATOM 750 N ILE A 49 -2.244 7.535 6.810 1.00 1.30 N ATOM 751 CA ILE A 49 -3.231 8.116 7.727 1.00 1.43 C ATOM 752 C ILE A 49 -3.620 9.532 7.277 1.00 0.87 C ATOM 753 O ILE A 49 -4.537 9.707 6.478 1.00 1.58 O ATOM 754 CB ILE A 49 -2.766 8.049 9.206 1.00 2.08 C ATOM 755 CG1 ILE A 49 -2.544 6.597 9.662 1.00 2.22 C ATOM 756 CG2 ILE A 49 -3.821 8.697 10.125 1.00 2.74 C ATOM 757 CD1 ILE A 49 -1.731 6.514 10.963 1.00 3.97 C ATOM 0 H ILE A 49 -2.482 6.585 6.526 1.00 1.30 H new ATOM 0 HA ILE A 49 -4.135 7.509 7.683 1.00 1.43 H new ATOM 0 HB ILE A 49 -1.822 8.590 9.274 1.00 2.08 H new ATOM 0 HG12 ILE A 49 -3.509 6.112 9.808 1.00 2.22 H new ATOM 0 HG13 ILE A 49 -2.026 6.047 8.876 1.00 2.22 H new ATOM 0 HG21 ILE A 49 -3.484 8.644 11.160 1.00 2.74 H new ATOM 0 HG22 ILE A 49 -3.959 9.740 9.841 1.00 2.74 H new ATOM 0 HG23 ILE A 49 -4.767 8.165 10.024 1.00 2.74 H new ATOM 0 HD11 ILE A 49 -1.601 5.469 11.244 1.00 3.97 H new ATOM 0 HD12 ILE A 49 -0.754 6.974 10.812 1.00 3.97 H new ATOM 0 HD13 ILE A 49 -2.261 7.040 11.757 1.00 3.97 H new ATOM 769 N THR A 50 -2.915 10.551 7.768 1.00 1.58 N ATOM 770 CA THR A 50 -3.158 11.953 7.481 1.00 1.74 C ATOM 771 C THR A 50 -2.431 12.336 6.188 1.00 1.58 C ATOM 772 O THR A 50 -1.786 13.381 6.109 1.00 2.15 O ATOM 773 CB THR A 50 -2.727 12.784 8.708 1.00 2.33 C ATOM 774 OG1 THR A 50 -2.944 14.160 8.491 1.00 3.45 O ATOM 775 CG2 THR A 50 -1.265 12.574 9.129 1.00 3.10 C ATOM 0 H THR A 50 -2.128 10.410 8.402 1.00 1.58 H new ATOM 0 HA THR A 50 -4.215 12.157 7.310 1.00 1.74 H new ATOM 0 HB THR A 50 -3.353 12.421 9.523 1.00 2.33 H new ATOM 0 HG1 THR A 50 -2.584 14.414 7.616 1.00 3.45 H new ATOM 0 HG21 THR A 50 -1.044 13.194 9.998 1.00 3.10 H new ATOM 0 HG22 THR A 50 -1.106 11.526 9.382 1.00 3.10 H new ATOM 0 HG23 THR A 50 -0.606 12.853 8.307 1.00 3.10 H new ATOM 783 N ASN A 51 -2.515 11.494 5.158 1.00 1.07 N ATOM 784 CA ASN A 51 -1.800 11.718 3.916 1.00 0.91 C ATOM 785 C ASN A 51 -2.534 10.978 2.807 1.00 0.84 C ATOM 786 O ASN A 51 -3.126 9.936 3.073 1.00 1.13 O ATOM 787 CB ASN A 51 -0.370 11.186 4.059 1.00 0.95 C ATOM 788 CG ASN A 51 0.584 11.941 3.150 1.00 1.06 C ATOM 789 OD1 ASN A 51 0.185 12.474 2.117 1.00 1.29 O ATOM 790 ND2 ASN A 51 1.849 12.016 3.539 1.00 1.69 N ATOM 0 H ASN A 51 -3.079 10.644 5.167 1.00 1.07 H new ATOM 0 HA ASN A 51 -1.755 12.781 3.678 1.00 0.91 H new ATOM 0 HB2 ASN A 51 -0.044 11.282 5.095 1.00 0.95 H new ATOM 0 HB3 ASN A 51 -0.347 10.124 3.815 1.00 0.95 H new ATOM 0 HD21 ASN A 51 2.527 12.529 2.975 1.00 1.69 H new ATOM 0 HD22 ASN A 51 2.145 11.561 4.403 1.00 1.69 H new ATOM 797 N LYS A 52 -2.502 11.491 1.578 1.00 0.74 N ATOM 798 CA LYS A 52 -3.099 10.837 0.418 1.00 0.79 C ATOM 799 C LYS A 52 -2.392 11.360 -0.825 1.00 0.68 C ATOM 800 O LYS A 52 -3.001 12.060 -1.622 1.00 0.91 O ATOM 801 CB LYS A 52 -4.619 11.116 0.323 1.00 1.19 C ATOM 802 CG LYS A 52 -5.487 10.201 1.202 1.00 2.94 C ATOM 803 CD LYS A 52 -6.080 10.948 2.402 1.00 2.98 C ATOM 804 CE LYS A 52 -6.733 9.977 3.393 1.00 4.96 C ATOM 805 NZ LYS A 52 -7.916 9.301 2.818 1.00 6.12 N ATOM 0 H LYS A 52 -2.056 12.382 1.359 1.00 0.74 H new ATOM 0 HA LYS A 52 -2.979 9.758 0.510 1.00 0.79 H new ATOM 0 HB2 LYS A 52 -4.804 12.153 0.604 1.00 1.19 H new ATOM 0 HB3 LYS A 52 -4.932 11.006 -0.715 1.00 1.19 H new ATOM 0 HG2 LYS A 52 -6.294 9.782 0.602 1.00 2.94 H new ATOM 0 HG3 LYS A 52 -4.886 9.364 1.557 1.00 2.94 H new ATOM 0 HD2 LYS A 52 -5.296 11.513 2.906 1.00 2.98 H new ATOM 0 HD3 LYS A 52 -6.820 11.670 2.055 1.00 2.98 H new ATOM 0 HE2 LYS A 52 -6.003 9.228 3.700 1.00 4.96 H new ATOM 0 HE3 LYS A 52 -7.028 10.521 4.290 1.00 4.96 H new ATOM 0 HZ1 LYS A 52 -8.477 8.873 3.582 1.00 6.12 H new ATOM 0 HZ2 LYS A 52 -8.499 9.995 2.308 1.00 6.12 H new ATOM 0 HZ3 LYS A 52 -7.606 8.559 2.159 1.00 6.12 H new ATOM 819 N LYS A 53 -1.127 10.996 -1.043 1.00 0.53 N ATOM 820 CA LYS A 53 -0.467 11.292 -2.314 1.00 0.63 C ATOM 821 C LYS A 53 0.538 10.191 -2.626 1.00 0.66 C ATOM 822 O LYS A 53 1.115 9.634 -1.693 1.00 0.74 O ATOM 823 CB LYS A 53 0.186 12.678 -2.289 1.00 0.79 C ATOM 824 CG LYS A 53 1.334 12.789 -1.277 1.00 1.45 C ATOM 825 CD LYS A 53 1.780 14.247 -1.127 1.00 1.86 C ATOM 826 CE LYS A 53 0.734 15.042 -0.335 1.00 3.32 C ATOM 827 NZ LYS A 53 1.027 16.491 -0.336 1.00 3.87 N ATOM 0 H LYS A 53 -0.546 10.502 -0.365 1.00 0.53 H new ATOM 0 HA LYS A 53 -1.210 11.316 -3.111 1.00 0.63 H new ATOM 0 HB2 LYS A 53 0.564 12.912 -3.284 1.00 0.79 H new ATOM 0 HB3 LYS A 53 -0.572 13.425 -2.052 1.00 0.79 H new ATOM 0 HG2 LYS A 53 1.013 12.400 -0.311 1.00 1.45 H new ATOM 0 HG3 LYS A 53 2.175 12.177 -1.604 1.00 1.45 H new ATOM 0 HD2 LYS A 53 2.743 14.290 -0.617 1.00 1.86 H new ATOM 0 HD3 LYS A 53 1.920 14.695 -2.111 1.00 1.86 H new ATOM 0 HE2 LYS A 53 -0.253 14.871 -0.764 1.00 3.32 H new ATOM 0 HE3 LYS A 53 0.703 14.678 0.692 1.00 3.32 H new ATOM 0 HZ1 LYS A 53 0.298 16.993 0.209 1.00 3.87 H new ATOM 0 HZ2 LYS A 53 1.958 16.657 0.096 1.00 3.87 H new ATOM 0 HZ3 LYS A 53 1.032 16.844 -1.314 1.00 3.87 H new ATOM 841 N CYS A 54 0.740 9.868 -3.905 1.00 0.80 N ATOM 842 CA CYS A 54 1.772 8.916 -4.302 1.00 0.89 C ATOM 843 C CYS A 54 3.096 9.690 -4.419 1.00 1.04 C ATOM 844 O CYS A 54 3.069 10.875 -4.750 1.00 1.15 O ATOM 845 CB CYS A 54 1.417 8.319 -5.675 1.00 1.02 C ATOM 846 SG CYS A 54 1.233 6.503 -5.583 1.00 1.02 S ATOM 0 H CYS A 54 0.201 10.253 -4.681 1.00 0.80 H new ATOM 0 HA CYS A 54 1.853 8.111 -3.572 1.00 0.89 H new ATOM 0 HB2 CYS A 54 0.490 8.763 -6.038 1.00 1.02 H new ATOM 0 HB3 CYS A 54 2.195 8.572 -6.396 1.00 1.02 H new ATOM 851 N PRO A 55 4.253 9.034 -4.226 1.00 1.37 N ATOM 852 CA PRO A 55 5.552 9.692 -4.210 1.00 1.57 C ATOM 853 C PRO A 55 5.928 10.233 -5.584 1.00 1.97 C ATOM 854 O PRO A 55 6.241 11.414 -5.706 1.00 2.96 O ATOM 855 CB PRO A 55 6.541 8.642 -3.693 1.00 2.17 C ATOM 856 CG PRO A 55 5.886 7.308 -4.051 1.00 2.42 C ATOM 857 CD PRO A 55 4.391 7.613 -3.954 1.00 1.84 C ATOM 0 HA PRO A 55 5.552 10.570 -3.564 1.00 1.57 H new ATOM 0 HB2 PRO A 55 7.517 8.747 -4.166 1.00 2.17 H new ATOM 0 HB3 PRO A 55 6.696 8.735 -2.618 1.00 2.17 H new ATOM 0 HG2 PRO A 55 6.165 6.979 -5.052 1.00 2.42 H new ATOM 0 HG3 PRO A 55 6.181 6.517 -3.361 1.00 2.42 H new ATOM 0 HD2 PRO A 55 3.825 7.021 -4.673 1.00 1.84 H new ATOM 0 HD3 PRO A 55 4.006 7.366 -2.965 1.00 1.84 H new ATOM 865 N ILE A 56 5.912 9.383 -6.613 1.00 1.89 N ATOM 866 CA ILE A 56 6.254 9.809 -7.963 1.00 2.36 C ATOM 867 C ILE A 56 4.967 10.026 -8.756 1.00 2.41 C ATOM 868 O ILE A 56 4.865 10.983 -9.517 1.00 3.46 O ATOM 869 CB ILE A 56 7.238 8.811 -8.610 1.00 2.92 C ATOM 870 CG1 ILE A 56 8.181 9.466 -9.639 1.00 4.23 C ATOM 871 CG2 ILE A 56 6.543 7.576 -9.205 1.00 3.49 C ATOM 872 CD1 ILE A 56 7.511 10.285 -10.748 1.00 6.03 C ATOM 0 H ILE A 56 5.665 8.397 -6.533 1.00 1.89 H new ATOM 0 HA ILE A 56 6.781 10.763 -7.949 1.00 2.36 H new ATOM 0 HB ILE A 56 7.859 8.463 -7.785 1.00 2.92 H new ATOM 0 HG12 ILE A 56 8.873 10.116 -9.104 1.00 4.23 H new ATOM 0 HG13 ILE A 56 8.777 8.681 -10.105 1.00 4.23 H new ATOM 0 HG21 ILE A 56 7.290 6.914 -9.644 1.00 3.49 H new ATOM 0 HG22 ILE A 56 6.007 7.046 -8.418 1.00 3.49 H new ATOM 0 HG23 ILE A 56 5.839 7.891 -9.976 1.00 3.49 H new ATOM 0 HD11 ILE A 56 8.274 10.695 -11.409 1.00 6.03 H new ATOM 0 HD12 ILE A 56 6.842 9.643 -11.321 1.00 6.03 H new ATOM 0 HD13 ILE A 56 6.940 11.100 -10.304 1.00 6.03 H new ATOM 884 N CYS A 57 3.956 9.169 -8.551 1.00 1.72 N ATOM 885 CA CYS A 57 2.699 9.267 -9.283 1.00 1.76 C ATOM 886 C CYS A 57 2.066 10.648 -9.018 1.00 1.80 C ATOM 887 O CYS A 57 1.307 11.139 -9.847 1.00 2.76 O ATOM 888 CB CYS A 57 1.729 8.116 -8.905 1.00 1.61 C ATOM 889 SG CYS A 57 2.521 6.641 -8.145 1.00 1.17 S ATOM 0 H CYS A 57 3.991 8.401 -7.881 1.00 1.72 H new ATOM 0 HA CYS A 57 2.900 9.166 -10.349 1.00 1.76 H new ATOM 0 HB2 CYS A 57 0.982 8.505 -8.213 1.00 1.61 H new ATOM 0 HB3 CYS A 57 1.198 7.801 -9.803 1.00 1.61 H new ATOM 894 N ARG A 58 2.384 11.261 -7.862 1.00 1.21 N ATOM 895 CA ARG A 58 1.995 12.604 -7.435 1.00 1.23 C ATOM 896 C ARG A 58 0.540 12.884 -7.783 1.00 1.29 C ATOM 897 O ARG A 58 0.193 13.936 -8.315 1.00 1.68 O ATOM 898 CB ARG A 58 2.952 13.655 -8.017 1.00 1.47 C ATOM 899 CG ARG A 58 2.800 15.000 -7.285 1.00 1.91 C ATOM 900 CD ARG A 58 2.681 16.160 -8.277 1.00 2.33 C ATOM 901 NE ARG A 58 2.541 17.449 -7.579 1.00 3.00 N ATOM 902 CZ ARG A 58 2.352 18.631 -8.180 1.00 3.75 C ATOM 903 NH1 ARG A 58 2.237 19.744 -7.453 1.00 4.44 N ATOM 904 NH2 ARG A 58 2.284 18.699 -9.509 1.00 4.08 N ATOM 0 H ARG A 58 2.958 10.794 -7.160 1.00 1.21 H new ATOM 0 HA ARG A 58 2.076 12.665 -6.350 1.00 1.23 H new ATOM 0 HB2 ARG A 58 3.980 13.304 -7.931 1.00 1.47 H new ATOM 0 HB3 ARG A 58 2.749 13.789 -9.079 1.00 1.47 H new ATOM 0 HG2 ARG A 58 1.917 14.972 -6.647 1.00 1.91 H new ATOM 0 HG3 ARG A 58 3.659 15.162 -6.634 1.00 1.91 H new ATOM 0 HD2 ARG A 58 3.562 16.185 -8.918 1.00 2.33 H new ATOM 0 HD3 ARG A 58 1.820 16.000 -8.925 1.00 2.33 H new ATOM 0 HE ARG A 58 2.592 17.441 -6.560 1.00 3.00 H new ATOM 0 HH11 ARG A 58 2.293 19.697 -6.436 1.00 4.44 H new ATOM 0 HH12 ARG A 58 2.093 20.642 -7.915 1.00 4.44 H new ATOM 0 HH21 ARG A 58 2.376 17.851 -10.068 1.00 4.08 H new ATOM 0 HH22 ARG A 58 2.140 19.599 -9.967 1.00 4.08 H new ATOM 918 N VAL A 59 -0.303 11.929 -7.417 1.00 1.11 N ATOM 919 CA VAL A 59 -1.729 11.969 -7.614 1.00 1.15 C ATOM 920 C VAL A 59 -2.314 11.785 -6.228 1.00 1.00 C ATOM 921 O VAL A 59 -1.690 11.133 -5.382 1.00 0.93 O ATOM 922 CB VAL A 59 -2.120 10.869 -8.620 1.00 1.29 C ATOM 923 CG1 VAL A 59 -2.451 9.531 -7.958 1.00 0.97 C ATOM 924 CG2 VAL A 59 -3.304 11.313 -9.481 1.00 2.48 C ATOM 0 H VAL A 59 0.009 11.074 -6.957 1.00 1.11 H new ATOM 0 HA VAL A 59 -2.106 12.897 -8.043 1.00 1.15 H new ATOM 0 HB VAL A 59 -1.240 10.715 -9.245 1.00 1.29 H new ATOM 0 HG11 VAL A 59 -2.718 8.802 -8.724 1.00 0.97 H new ATOM 0 HG12 VAL A 59 -1.582 9.174 -7.404 1.00 0.97 H new ATOM 0 HG13 VAL A 59 -3.289 9.661 -7.273 1.00 0.97 H new ATOM 0 HG21 VAL A 59 -3.561 10.520 -10.183 1.00 2.48 H new ATOM 0 HG22 VAL A 59 -4.161 11.523 -8.841 1.00 2.48 H new ATOM 0 HG23 VAL A 59 -3.035 12.213 -10.033 1.00 2.48 H new ATOM 934 N ASP A 60 -3.479 12.371 -5.983 1.00 1.02 N ATOM 935 CA ASP A 60 -4.138 12.183 -4.709 1.00 0.92 C ATOM 936 C ASP A 60 -4.619 10.736 -4.660 1.00 0.76 C ATOM 937 O ASP A 60 -5.219 10.236 -5.609 1.00 0.78 O ATOM 938 CB ASP A 60 -5.294 13.177 -4.543 1.00 1.09 C ATOM 939 CG ASP A 60 -4.803 14.612 -4.327 1.00 1.53 C ATOM 940 OD1 ASP A 60 -5.568 15.534 -4.682 1.00 2.50 O ATOM 941 OD2 ASP A 60 -3.667 14.775 -3.825 1.00 2.24 O ATOM 0 H ASP A 60 -3.976 12.970 -6.642 1.00 1.02 H new ATOM 0 HA ASP A 60 -3.453 12.373 -3.883 1.00 0.92 H new ATOM 0 HB2 ASP A 60 -5.929 13.142 -5.428 1.00 1.09 H new ATOM 0 HB3 ASP A 60 -5.910 12.875 -3.696 1.00 1.09 H new ATOM 946 N ILE A 61 -4.314 10.035 -3.570 1.00 0.68 N ATOM 947 CA ILE A 61 -4.688 8.643 -3.376 1.00 0.65 C ATOM 948 C ILE A 61 -6.168 8.545 -3.027 1.00 0.75 C ATOM 949 O ILE A 61 -6.781 7.490 -3.180 1.00 0.80 O ATOM 950 CB ILE A 61 -3.794 8.072 -2.263 1.00 0.59 C ATOM 951 CG1 ILE A 61 -2.312 8.235 -2.606 1.00 0.60 C ATOM 952 CG2 ILE A 61 -4.061 6.604 -1.960 1.00 0.59 C ATOM 953 CD1 ILE A 61 -1.996 7.791 -4.022 1.00 0.64 C ATOM 0 H ILE A 61 -3.792 10.428 -2.787 1.00 0.68 H new ATOM 0 HA ILE A 61 -4.540 8.063 -4.287 1.00 0.65 H new ATOM 0 HB ILE A 61 -4.046 8.649 -1.373 1.00 0.59 H new ATOM 0 HG12 ILE A 61 -2.026 9.279 -2.483 1.00 0.60 H new ATOM 0 HG13 ILE A 61 -1.713 7.655 -1.904 1.00 0.60 H new ATOM 0 HG21 ILE A 61 -3.394 6.269 -1.165 1.00 0.59 H new ATOM 0 HG22 ILE A 61 -5.096 6.481 -1.641 1.00 0.59 H new ATOM 0 HG23 ILE A 61 -3.884 6.009 -2.856 1.00 0.59 H new ATOM 0 HD11 ILE A 61 -0.932 7.926 -4.217 1.00 0.64 H new ATOM 0 HD12 ILE A 61 -2.256 6.739 -4.140 1.00 0.64 H new ATOM 0 HD13 ILE A 61 -2.573 8.388 -4.728 1.00 0.64 H new ATOM 965 N GLU A 62 -6.737 9.636 -2.522 1.00 0.88 N ATOM 966 CA GLU A 62 -8.152 9.694 -2.230 1.00 1.08 C ATOM 967 C GLU A 62 -8.919 9.770 -3.546 1.00 1.89 C ATOM 968 O GLU A 62 -8.503 10.462 -4.472 1.00 2.52 O ATOM 969 CB GLU A 62 -8.445 10.903 -1.337 1.00 1.76 C ATOM 970 CG GLU A 62 -9.703 10.638 -0.507 1.00 1.93 C ATOM 971 CD GLU A 62 -9.862 11.702 0.574 1.00 2.90 C ATOM 972 OE1 GLU A 62 -9.321 11.449 1.677 1.00 3.74 O ATOM 973 OE2 GLU A 62 -10.487 12.743 0.286 1.00 3.81 O ATOM 0 H GLU A 62 -6.229 10.494 -2.308 1.00 0.88 H new ATOM 0 HA GLU A 62 -8.470 8.801 -1.692 1.00 1.08 H new ATOM 0 HB2 GLU A 62 -7.597 11.095 -0.679 1.00 1.76 H new ATOM 0 HB3 GLU A 62 -8.582 11.795 -1.949 1.00 1.76 H new ATOM 0 HG2 GLU A 62 -10.580 10.635 -1.155 1.00 1.93 H new ATOM 0 HG3 GLU A 62 -9.642 9.651 -0.048 1.00 1.93 H new ATOM 980 N ALA A 63 -10.042 9.064 -3.636 1.00 2.58 N ATOM 981 CA ALA A 63 -10.879 9.052 -4.816 1.00 3.67 C ATOM 982 C ALA A 63 -12.306 8.863 -4.331 1.00 4.29 C ATOM 983 O ALA A 63 -12.521 8.205 -3.312 1.00 4.62 O ATOM 984 CB ALA A 63 -10.463 7.898 -5.733 1.00 4.48 C ATOM 0 H ALA A 63 -10.395 8.479 -2.878 1.00 2.58 H new ATOM 0 HA ALA A 63 -10.784 9.976 -5.386 1.00 3.67 H new ATOM 0 HB1 ALA A 63 -11.096 7.892 -6.621 1.00 4.48 H new ATOM 0 HB2 ALA A 63 -9.422 8.026 -6.030 1.00 4.48 H new ATOM 0 HB3 ALA A 63 -10.575 6.953 -5.202 1.00 4.48 H new ATOM 990 N GLN A 64 -13.283 9.418 -5.044 1.00 5.09 N ATOM 991 CA GLN A 64 -14.661 9.138 -4.697 1.00 5.89 C ATOM 992 C GLN A 64 -14.906 7.660 -5.000 1.00 7.31 C ATOM 993 O GLN A 64 -14.590 7.196 -6.096 1.00 8.26 O ATOM 994 CB GLN A 64 -15.612 10.035 -5.499 1.00 6.57 C ATOM 995 CG GLN A 64 -17.014 10.037 -4.872 1.00 7.27 C ATOM 996 CD GLN A 64 -18.106 10.166 -5.929 1.00 8.48 C ATOM 997 OE1 GLN A 64 -18.413 9.211 -6.629 1.00 9.00 O ATOM 998 NE2 GLN A 64 -18.721 11.334 -6.067 1.00 9.30 N ATOM 0 H GLN A 64 -13.148 10.043 -5.839 1.00 5.09 H new ATOM 0 HA GLN A 64 -14.849 9.345 -3.643 1.00 5.89 H new ATOM 0 HB2 GLN A 64 -15.221 11.052 -5.530 1.00 6.57 H new ATOM 0 HB3 GLN A 64 -15.669 9.683 -6.529 1.00 6.57 H new ATOM 0 HG2 GLN A 64 -17.161 9.116 -4.308 1.00 7.27 H new ATOM 0 HG3 GLN A 64 -17.094 10.861 -4.164 1.00 7.27 H new ATOM 0 HE21 GLN A 64 -18.456 12.123 -5.477 1.00 9.30 H new ATOM 0 HE22 GLN A 64 -19.459 11.443 -6.763 1.00 9.30 H new ATOM 1007 N LEU A 65 -15.458 6.918 -4.043 1.00 7.95 N ATOM 1008 CA LEU A 65 -15.800 5.516 -4.218 1.00 9.68 C ATOM 1009 C LEU A 65 -17.143 5.294 -3.526 1.00 10.42 C ATOM 1010 O LEU A 65 -17.469 6.038 -2.602 1.00 9.95 O ATOM 1011 CB LEU A 65 -14.661 4.635 -3.674 1.00 10.02 C ATOM 1012 CG LEU A 65 -14.580 4.573 -2.137 1.00 10.18 C ATOM 1013 CD1 LEU A 65 -15.203 3.270 -1.622 1.00 11.09 C ATOM 1014 CD2 LEU A 65 -13.122 4.621 -1.677 1.00 10.66 C ATOM 0 H LEU A 65 -15.681 7.281 -3.116 1.00 7.95 H new ATOM 0 HA LEU A 65 -15.908 5.237 -5.266 1.00 9.68 H new ATOM 0 HB2 LEU A 65 -14.785 3.623 -4.060 1.00 10.02 H new ATOM 0 HB3 LEU A 65 -13.713 5.009 -4.060 1.00 10.02 H new ATOM 0 HG LEU A 65 -15.124 5.430 -1.739 1.00 10.18 H new ATOM 0 HD11 LEU A 65 -15.138 3.241 -0.534 1.00 11.09 H new ATOM 0 HD12 LEU A 65 -16.249 3.222 -1.925 1.00 11.09 H new ATOM 0 HD13 LEU A 65 -14.665 2.419 -2.040 1.00 11.09 H new ATOM 0 HD21 LEU A 65 -13.082 4.576 -0.589 1.00 10.66 H new ATOM 0 HD22 LEU A 65 -12.580 3.772 -2.095 1.00 10.66 H new ATOM 0 HD23 LEU A 65 -12.663 5.549 -2.019 1.00 10.66 H new ATOM 1026 N PRO A 66 -17.948 4.322 -3.966 1.00 11.88 N ATOM 1027 CA PRO A 66 -19.296 4.136 -3.456 1.00 12.87 C ATOM 1028 C PRO A 66 -19.254 3.479 -2.074 1.00 13.14 C ATOM 1029 O PRO A 66 -19.413 2.268 -1.944 1.00 13.93 O ATOM 1030 CB PRO A 66 -19.997 3.274 -4.510 1.00 14.54 C ATOM 1031 CG PRO A 66 -18.854 2.439 -5.089 1.00 14.73 C ATOM 1032 CD PRO A 66 -17.677 3.415 -5.067 1.00 12.97 C ATOM 0 HA PRO A 66 -19.835 5.072 -3.308 1.00 12.87 H new ATOM 0 HB2 PRO A 66 -20.771 2.647 -4.068 1.00 14.54 H new ATOM 0 HB3 PRO A 66 -20.479 3.884 -5.274 1.00 14.54 H new ATOM 0 HG2 PRO A 66 -18.656 1.552 -4.487 1.00 14.73 H new ATOM 0 HG3 PRO A 66 -19.076 2.095 -6.099 1.00 14.73 H new ATOM 0 HD2 PRO A 66 -16.734 2.889 -4.920 1.00 12.97 H new ATOM 0 HD3 PRO A 66 -17.597 3.955 -6.010 1.00 12.97 H new ATOM 1040 N SER A 67 -19.030 4.283 -1.037 1.00 12.71 N ATOM 1041 CA SER A 67 -19.103 3.881 0.358 1.00 13.14 C ATOM 1042 C SER A 67 -19.178 5.161 1.194 1.00 12.70 C ATOM 1043 O SER A 67 -19.379 6.243 0.645 1.00 12.39 O ATOM 1044 CB SER A 67 -17.868 3.045 0.715 1.00 13.34 C ATOM 1045 OG SER A 67 -18.040 2.408 1.967 1.00 13.98 O ATOM 0 H SER A 67 -18.784 5.266 -1.154 1.00 12.71 H new ATOM 0 HA SER A 67 -19.980 3.264 0.554 1.00 13.14 H new ATOM 0 HB2 SER A 67 -17.693 2.297 -0.058 1.00 13.34 H new ATOM 0 HB3 SER A 67 -16.986 3.685 0.745 1.00 13.34 H new ATOM 0 HG SER A 67 -17.243 1.878 2.177 1.00 13.98 H new ATOM 1051 N GLU A 68 -18.980 5.053 2.506 1.00 12.95 N ATOM 1052 CA GLU A 68 -18.861 6.203 3.385 1.00 12.74 C ATOM 1053 C GLU A 68 -17.680 5.928 4.316 1.00 12.90 C ATOM 1054 O GLU A 68 -17.820 5.227 5.315 1.00 13.65 O ATOM 1055 CB GLU A 68 -20.187 6.430 4.129 1.00 13.16 C ATOM 1056 CG GLU A 68 -20.290 7.879 4.614 1.00 12.95 C ATOM 1057 CD GLU A 68 -21.518 8.084 5.504 1.00 13.73 C ATOM 1058 OE1 GLU A 68 -21.338 8.089 6.742 1.00 13.99 O ATOM 1059 OE2 GLU A 68 -22.621 8.237 4.933 1.00 14.35 O ATOM 0 H GLU A 68 -18.898 4.157 2.987 1.00 12.95 H new ATOM 0 HA GLU A 68 -18.668 7.126 2.839 1.00 12.74 H new ATOM 0 HB2 GLU A 68 -21.024 6.201 3.470 1.00 13.16 H new ATOM 0 HB3 GLU A 68 -20.255 5.750 4.979 1.00 13.16 H new ATOM 0 HG2 GLU A 68 -19.389 8.144 5.168 1.00 12.95 H new ATOM 0 HG3 GLU A 68 -20.345 8.549 3.756 1.00 12.95 H new ATOM 1066 N SER A 69 -16.489 6.400 3.942 1.00 12.51 N ATOM 1067 CA SER A 69 -15.270 6.268 4.725 1.00 12.84 C ATOM 1068 C SER A 69 -14.225 7.213 4.140 1.00 12.51 C ATOM 1069 O SER A 69 -14.547 7.862 3.119 1.00 12.47 O ATOM 1070 CB SER A 69 -14.761 4.821 4.678 1.00 14.03 C ATOM 1071 OG SER A 69 -13.692 4.652 5.586 1.00 14.20 O ATOM 1072 OXT SER A 69 -13.107 7.210 4.701 1.00 12.64 O ATOM 0 H SER A 69 -16.348 6.897 3.062 1.00 12.51 H new ATOM 0 HA SER A 69 -15.466 6.523 5.767 1.00 12.84 H new ATOM 0 HB2 SER A 69 -15.571 4.134 4.926 1.00 14.03 H new ATOM 0 HB3 SER A 69 -14.433 4.576 3.668 1.00 14.03 H new ATOM 0 HG SER A 69 -13.173 5.481 5.638 1.00 14.20 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 0.106 -4.379 6.726 1.00 0.99 ZN HETATM 1080 ZN ZN A 102 1.229 5.054 -7.251 1.00 0.88 ZN