USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 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 5 THR OG1 : rot 180:sc= -0.115 USER MOD Set 1.2: A 8 GLN : amide:sc= 0.492 K(o=0.38,f=-6.4!) USER MOD Set 1.3: A 76 MET CE :methyl -153:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0399 X(o=-0.04,f=-0.44) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -30:sc= 0.753 USER MOD Single : A 21 LYS NZ :NH3+ 147:sc= -0.305 (180deg=-1.31!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 30 LYS NZ :NH3+ -168:sc=-0.00597 (180deg=-0.213) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -135:sc= 0 (180deg=-3.5!) USER MOD Single : A 38 SER OG : rot -34:sc= 1.13 USER MOD Single : A 41 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.2) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.618 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 51 MET CE :methyl 153:sc= -0.148 (180deg=-0.622) USER MOD Single : A 53 ASN : amide:sc= -0.0796 K(o=-0.08,f=-2.3!) USER MOD Single : A 60 ASN :FLIP amide:sc= -1.58 F(o=-3.9!,f=-1.6) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -135:sc= -0.716 (180deg=-3.33) USER MOD Single : A 72 MET CE :methyl 175:sc= -2.17 (180deg=-2.25) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 10.732 13.040 -7.915 1.00 1.13 N ATOM 14 CA ASP A 2 10.414 11.830 -7.109 1.00 1.00 C ATOM 15 C ASP A 2 10.328 10.620 -8.033 1.00 0.80 C ATOM 16 O ASP A 2 9.250 10.166 -8.359 1.00 0.77 O ATOM 17 CB ASP A 2 9.075 12.010 -6.412 1.00 1.04 C ATOM 18 CG ASP A 2 9.204 13.064 -5.311 1.00 1.66 C ATOM 19 OD1 ASP A 2 10.323 13.342 -4.912 1.00 2.21 O ATOM 20 OD2 ASP A 2 8.182 13.576 -4.885 1.00 2.26 O ATOM 0 HA ASP A 2 11.196 11.681 -6.364 1.00 1.00 H new ATOM 0 HB2 ASP A 2 8.317 12.315 -7.133 1.00 1.04 H new ATOM 0 HB3 ASP A 2 8.746 11.063 -5.985 1.00 1.04 H new ATOM 25 N GLN A 3 11.432 10.015 -8.357 1.00 0.74 N ATOM 26 CA GLN A 3 11.408 8.741 -9.138 1.00 0.58 C ATOM 27 C GLN A 3 11.652 7.648 -8.096 1.00 0.38 C ATOM 28 O GLN A 3 12.654 7.683 -7.408 1.00 0.32 O ATOM 29 CB GLN A 3 12.513 8.747 -10.202 1.00 0.57 C ATOM 30 CG GLN A 3 13.884 8.678 -9.531 1.00 0.81 C ATOM 31 CD GLN A 3 14.964 9.161 -10.502 1.00 0.78 C ATOM 32 OE1 GLN A 3 14.842 10.219 -11.088 1.00 0.99 O ATOM 33 NE2 GLN A 3 16.023 8.425 -10.699 1.00 1.84 N ATOM 0 H GLN A 3 12.364 10.349 -8.113 1.00 0.74 H new ATOM 0 HA GLN A 3 10.470 8.592 -9.672 1.00 0.58 H new ATOM 0 HB2 GLN A 3 12.385 7.900 -10.876 1.00 0.57 H new ATOM 0 HB3 GLN A 3 12.441 9.650 -10.808 1.00 0.57 H new ATOM 0 HG2 GLN A 3 13.890 9.294 -8.632 1.00 0.81 H new ATOM 0 HG3 GLN A 3 14.095 7.655 -9.219 1.00 0.81 H new ATOM 0 HE21 GLN A 3 16.126 7.537 -10.207 1.00 1.84 H new ATOM 0 HE22 GLN A 3 16.748 8.737 -11.345 1.00 1.84 H new ATOM 42 N LEU A 4 10.784 6.686 -7.928 1.00 0.32 N ATOM 43 CA LEU A 4 11.087 5.667 -6.883 1.00 0.20 C ATOM 44 C LEU A 4 12.413 5.004 -7.254 1.00 0.26 C ATOM 45 O LEU A 4 12.625 4.611 -8.384 1.00 0.35 O ATOM 46 CB LEU A 4 9.976 4.616 -6.788 1.00 0.29 C ATOM 47 CG LEU A 4 8.629 5.282 -6.476 1.00 0.17 C ATOM 48 CD1 LEU A 4 7.523 4.226 -6.548 1.00 0.21 C ATOM 49 CD2 LEU A 4 8.656 5.900 -5.070 1.00 0.02 C ATOM 0 H LEU A 4 9.913 6.563 -8.445 1.00 0.32 H new ATOM 0 HA LEU A 4 11.154 6.149 -5.908 1.00 0.20 H new ATOM 0 HB2 LEU A 4 9.907 4.066 -7.726 1.00 0.29 H new ATOM 0 HB3 LEU A 4 10.219 3.892 -6.011 1.00 0.29 H new ATOM 0 HG LEU A 4 8.440 6.071 -7.204 1.00 0.17 H new ATOM 0 HD11 LEU A 4 6.562 4.690 -6.328 1.00 0.21 H new ATOM 0 HD12 LEU A 4 7.497 3.794 -7.549 1.00 0.21 H new ATOM 0 HD13 LEU A 4 7.722 3.440 -5.819 1.00 0.21 H new ATOM 0 HD21 LEU A 4 7.695 6.369 -4.860 1.00 0.02 H new ATOM 0 HD22 LEU A 4 8.847 5.120 -4.333 1.00 0.02 H new ATOM 0 HD23 LEU A 4 9.445 6.650 -5.017 1.00 0.02 H new ATOM 61 N THR A 5 13.310 4.877 -6.315 1.00 0.23 N ATOM 62 CA THR A 5 14.624 4.241 -6.612 1.00 0.31 C ATOM 63 C THR A 5 14.483 2.720 -6.552 1.00 0.37 C ATOM 64 O THR A 5 13.552 2.196 -5.973 1.00 0.39 O ATOM 65 CB THR A 5 15.656 4.693 -5.575 1.00 0.29 C ATOM 66 OG1 THR A 5 15.323 4.144 -4.307 1.00 0.29 O ATOM 67 CG2 THR A 5 15.662 6.219 -5.487 1.00 0.22 C ATOM 0 H THR A 5 13.189 5.188 -5.351 1.00 0.23 H new ATOM 0 HA THR A 5 14.951 4.538 -7.609 1.00 0.31 H new ATOM 0 HB THR A 5 16.645 4.346 -5.873 1.00 0.29 H new ATOM 0 HG1 THR A 5 15.984 4.431 -3.642 1.00 0.29 H new ATOM 0 HG21 THR A 5 16.397 6.538 -4.748 1.00 0.22 H new ATOM 0 HG22 THR A 5 15.919 6.639 -6.460 1.00 0.22 H new ATOM 0 HG23 THR A 5 14.674 6.570 -5.190 1.00 0.22 H new ATOM 75 N GLU A 6 15.391 2.005 -7.158 1.00 0.42 N ATOM 76 CA GLU A 6 15.297 0.519 -7.148 1.00 0.49 C ATOM 77 C GLU A 6 15.291 -0.012 -5.710 1.00 0.49 C ATOM 78 O GLU A 6 14.564 -0.929 -5.384 1.00 0.53 O ATOM 79 CB GLU A 6 16.494 -0.067 -7.900 1.00 0.55 C ATOM 80 CG GLU A 6 16.351 0.235 -9.393 1.00 1.15 C ATOM 81 CD GLU A 6 17.546 -0.347 -10.150 1.00 1.06 C ATOM 82 OE1 GLU A 6 18.503 -0.734 -9.501 1.00 0.89 O ATOM 83 OE2 GLU A 6 17.484 -0.392 -11.368 1.00 2.08 O ATOM 0 H GLU A 6 16.193 2.386 -7.659 1.00 0.42 H new ATOM 0 HA GLU A 6 14.368 0.222 -7.634 1.00 0.49 H new ATOM 0 HB2 GLU A 6 17.422 0.359 -7.518 1.00 0.55 H new ATOM 0 HB3 GLU A 6 16.548 -1.144 -7.739 1.00 0.55 H new ATOM 0 HG2 GLU A 6 15.423 -0.192 -9.774 1.00 1.15 H new ATOM 0 HG3 GLU A 6 16.295 1.312 -9.553 1.00 1.15 H new ATOM 90 N GLU A 7 16.084 0.554 -4.844 1.00 0.47 N ATOM 91 CA GLU A 7 16.107 0.071 -3.432 1.00 0.49 C ATOM 92 C GLU A 7 14.764 0.372 -2.763 1.00 0.46 C ATOM 93 O GLU A 7 14.226 -0.448 -2.047 1.00 0.56 O ATOM 94 CB GLU A 7 17.221 0.792 -2.668 1.00 0.46 C ATOM 95 CG GLU A 7 18.582 0.312 -3.177 1.00 0.60 C ATOM 96 CD GLU A 7 18.810 -1.135 -2.737 1.00 1.95 C ATOM 97 OE1 GLU A 7 18.146 -1.562 -1.807 1.00 2.18 O ATOM 98 OE2 GLU A 7 19.647 -1.790 -3.335 1.00 3.20 O ATOM 0 H GLU A 7 16.716 1.328 -5.050 1.00 0.47 H new ATOM 0 HA GLU A 7 16.286 -1.004 -3.421 1.00 0.49 H new ATOM 0 HB2 GLU A 7 17.130 1.870 -2.802 1.00 0.46 H new ATOM 0 HB3 GLU A 7 17.130 0.595 -1.600 1.00 0.46 H new ATOM 0 HG2 GLU A 7 18.621 0.383 -4.264 1.00 0.60 H new ATOM 0 HG3 GLU A 7 19.374 0.951 -2.787 1.00 0.60 H new ATOM 105 N GLN A 8 14.209 1.535 -2.990 1.00 0.33 N ATOM 106 CA GLN A 8 12.896 1.856 -2.360 1.00 0.30 C ATOM 107 C GLN A 8 11.854 0.880 -2.902 1.00 0.29 C ATOM 108 O GLN A 8 10.975 0.436 -2.191 1.00 0.28 O ATOM 109 CB GLN A 8 12.489 3.296 -2.683 1.00 0.30 C ATOM 110 CG GLN A 8 13.406 4.270 -1.940 1.00 0.29 C ATOM 111 CD GLN A 8 13.148 5.693 -2.441 1.00 0.34 C ATOM 112 OE1 GLN A 8 12.963 5.907 -3.622 1.00 0.59 O ATOM 113 NE2 GLN A 8 13.125 6.680 -1.587 1.00 0.97 N ATOM 0 H GLN A 8 14.604 2.269 -3.578 1.00 0.33 H new ATOM 0 HA GLN A 8 12.970 1.761 -1.277 1.00 0.30 H new ATOM 0 HB2 GLN A 8 12.552 3.470 -3.757 1.00 0.30 H new ATOM 0 HB3 GLN A 8 11.452 3.465 -2.393 1.00 0.30 H new ATOM 0 HG2 GLN A 8 13.224 4.212 -0.867 1.00 0.29 H new ATOM 0 HG3 GLN A 8 14.449 3.999 -2.101 1.00 0.29 H new ATOM 0 HE21 GLN A 8 13.280 6.500 -0.595 1.00 0.97 H new ATOM 0 HE22 GLN A 8 12.952 7.631 -1.912 1.00 0.97 H new ATOM 122 N ILE A 9 11.945 0.540 -4.161 1.00 0.30 N ATOM 123 CA ILE A 9 10.956 -0.408 -4.736 1.00 0.29 C ATOM 124 C ILE A 9 11.144 -1.782 -4.096 1.00 0.26 C ATOM 125 O ILE A 9 10.190 -2.454 -3.755 1.00 0.25 O ATOM 126 CB ILE A 9 11.136 -0.498 -6.256 1.00 0.29 C ATOM 127 CG1 ILE A 9 10.790 0.854 -6.884 1.00 0.36 C ATOM 128 CG2 ILE A 9 10.207 -1.573 -6.825 1.00 0.29 C ATOM 129 CD1 ILE A 9 11.257 0.879 -8.341 1.00 0.36 C ATOM 0 H ILE A 9 12.657 0.877 -4.809 1.00 0.30 H new ATOM 0 HA ILE A 9 9.947 -0.051 -4.530 1.00 0.29 H new ATOM 0 HB ILE A 9 12.170 -0.759 -6.484 1.00 0.29 H new ATOM 0 HG12 ILE A 9 9.715 1.025 -6.833 1.00 0.36 H new ATOM 0 HG13 ILE A 9 11.267 1.659 -6.325 1.00 0.36 H new ATOM 0 HG21 ILE A 9 10.339 -1.633 -7.905 1.00 0.29 H new ATOM 0 HG22 ILE A 9 10.448 -2.537 -6.376 1.00 0.29 H new ATOM 0 HG23 ILE A 9 9.172 -1.316 -6.599 1.00 0.29 H new ATOM 0 HD11 ILE A 9 11.009 1.843 -8.786 1.00 0.36 H new ATOM 0 HD12 ILE A 9 12.336 0.728 -8.380 1.00 0.36 H new ATOM 0 HD13 ILE A 9 10.759 0.084 -8.896 1.00 0.36 H new ATOM 141 N ALA A 10 12.361 -2.214 -3.939 1.00 0.25 N ATOM 142 CA ALA A 10 12.600 -3.548 -3.334 1.00 0.22 C ATOM 143 C ALA A 10 12.067 -3.594 -1.890 1.00 0.20 C ATOM 144 O ALA A 10 11.396 -4.527 -1.510 1.00 0.30 O ATOM 145 CB ALA A 10 14.114 -3.843 -3.355 1.00 0.25 C ATOM 0 H ALA A 10 13.201 -1.700 -4.204 1.00 0.25 H new ATOM 0 HA ALA A 10 12.070 -4.306 -3.911 1.00 0.22 H new ATOM 0 HB1 ALA A 10 14.300 -4.822 -2.912 1.00 0.25 H new ATOM 0 HB2 ALA A 10 14.472 -3.836 -4.385 1.00 0.25 H new ATOM 0 HB3 ALA A 10 14.641 -3.080 -2.783 1.00 0.25 H new ATOM 151 N GLU A 11 12.355 -2.606 -1.083 1.00 0.16 N ATOM 152 CA GLU A 11 11.860 -2.630 0.323 1.00 0.16 C ATOM 153 C GLU A 11 10.321 -2.679 0.298 1.00 0.12 C ATOM 154 O GLU A 11 9.708 -3.382 1.077 1.00 0.12 O ATOM 155 CB GLU A 11 12.394 -1.369 1.051 1.00 0.23 C ATOM 156 CG GLU A 11 11.313 -0.719 1.921 1.00 0.85 C ATOM 157 CD GLU A 11 11.946 0.353 2.811 1.00 1.20 C ATOM 158 OE1 GLU A 11 13.098 0.680 2.580 1.00 1.92 O ATOM 159 OE2 GLU A 11 11.267 0.829 3.706 1.00 1.54 O ATOM 0 H GLU A 11 12.909 -1.788 -1.336 1.00 0.16 H new ATOM 0 HA GLU A 11 12.216 -3.508 0.862 1.00 0.16 H new ATOM 0 HB2 GLU A 11 13.247 -1.641 1.673 1.00 0.23 H new ATOM 0 HB3 GLU A 11 12.752 -0.648 0.316 1.00 0.23 H new ATOM 0 HG2 GLU A 11 10.543 -0.274 1.290 1.00 0.85 H new ATOM 0 HG3 GLU A 11 10.824 -1.474 2.536 1.00 0.85 H new ATOM 166 N PHE A 12 9.692 -1.949 -0.589 1.00 0.11 N ATOM 167 CA PHE A 12 8.200 -1.983 -0.639 1.00 0.07 C ATOM 168 C PHE A 12 7.739 -3.386 -1.041 1.00 0.04 C ATOM 169 O PHE A 12 6.798 -3.917 -0.484 1.00 0.06 O ATOM 170 CB PHE A 12 7.653 -0.976 -1.654 1.00 0.04 C ATOM 171 CG PHE A 12 8.170 0.437 -1.420 1.00 0.13 C ATOM 172 CD1 PHE A 12 8.468 0.922 -0.130 1.00 2.03 C ATOM 173 CD2 PHE A 12 8.327 1.282 -2.526 1.00 2.23 C ATOM 174 CE1 PHE A 12 8.920 2.238 0.034 1.00 1.99 C ATOM 175 CE2 PHE A 12 8.781 2.593 -2.357 1.00 2.27 C ATOM 176 CZ PHE A 12 9.076 3.072 -1.078 1.00 0.30 C ATOM 0 H PHE A 12 10.141 -1.339 -1.272 1.00 0.11 H new ATOM 0 HA PHE A 12 7.823 -1.721 0.350 1.00 0.07 H new ATOM 0 HB2 PHE A 12 7.926 -1.296 -2.660 1.00 0.04 H new ATOM 0 HB3 PHE A 12 6.564 -0.972 -1.605 1.00 0.04 H new ATOM 0 HD1 PHE A 12 8.348 0.280 0.730 1.00 2.03 H new ATOM 0 HD2 PHE A 12 8.096 0.918 -3.516 1.00 2.23 H new ATOM 0 HE1 PHE A 12 9.149 2.610 1.022 1.00 1.99 H new ATOM 0 HE2 PHE A 12 8.904 3.236 -3.216 1.00 2.27 H new ATOM 0 HZ PHE A 12 9.424 4.086 -0.948 1.00 0.30 H new ATOM 186 N LYS A 13 8.373 -3.993 -2.002 1.00 0.04 N ATOM 187 CA LYS A 13 7.945 -5.354 -2.431 1.00 0.04 C ATOM 188 C LYS A 13 8.106 -6.371 -1.300 1.00 0.06 C ATOM 189 O LYS A 13 7.242 -7.197 -1.082 1.00 0.10 O ATOM 190 CB LYS A 13 8.785 -5.789 -3.636 1.00 0.06 C ATOM 191 CG LYS A 13 8.456 -7.250 -4.009 1.00 0.14 C ATOM 192 CD LYS A 13 8.743 -7.495 -5.504 1.00 0.04 C ATOM 193 CE LYS A 13 7.524 -7.098 -6.348 1.00 0.14 C ATOM 194 NZ LYS A 13 6.541 -8.218 -6.353 1.00 0.79 N ATOM 0 H LYS A 13 9.169 -3.607 -2.510 1.00 0.04 H new ATOM 0 HA LYS A 13 6.890 -5.314 -2.701 1.00 0.04 H new ATOM 0 HB2 LYS A 13 8.585 -5.135 -4.484 1.00 0.06 H new ATOM 0 HB3 LYS A 13 9.846 -5.694 -3.404 1.00 0.06 H new ATOM 0 HG2 LYS A 13 9.051 -7.931 -3.401 1.00 0.14 H new ATOM 0 HG3 LYS A 13 7.409 -7.461 -3.793 1.00 0.14 H new ATOM 0 HD2 LYS A 13 9.614 -6.917 -5.814 1.00 0.04 H new ATOM 0 HD3 LYS A 13 8.982 -8.546 -5.669 1.00 0.04 H new ATOM 0 HE2 LYS A 13 7.064 -6.197 -5.942 1.00 0.14 H new ATOM 0 HE3 LYS A 13 7.833 -6.866 -7.367 1.00 0.14 H new ATOM 0 HZ1 LYS A 13 5.714 -7.951 -6.924 1.00 0.79 H new ATOM 0 HZ2 LYS A 13 6.984 -9.067 -6.760 1.00 0.79 H new ATOM 0 HZ3 LYS A 13 6.238 -8.419 -5.378 1.00 0.79 H new ATOM 208 N GLU A 14 9.189 -6.334 -0.576 1.00 0.06 N ATOM 209 CA GLU A 14 9.356 -7.321 0.529 1.00 0.09 C ATOM 210 C GLU A 14 8.236 -7.116 1.542 1.00 0.10 C ATOM 211 O GLU A 14 7.610 -8.057 1.999 1.00 0.18 O ATOM 212 CB GLU A 14 10.699 -7.098 1.226 1.00 0.11 C ATOM 213 CG GLU A 14 11.825 -7.301 0.223 1.00 0.26 C ATOM 214 CD GLU A 14 13.171 -7.074 0.912 1.00 0.79 C ATOM 215 OE1 GLU A 14 13.180 -6.437 1.954 1.00 0.55 O ATOM 216 OE2 GLU A 14 14.170 -7.536 0.387 1.00 2.01 O ATOM 0 H GLU A 14 9.957 -5.673 -0.698 1.00 0.06 H new ATOM 0 HA GLU A 14 9.323 -8.332 0.122 1.00 0.09 H new ATOM 0 HB2 GLU A 14 10.744 -6.091 1.641 1.00 0.11 H new ATOM 0 HB3 GLU A 14 10.809 -7.792 2.059 1.00 0.11 H new ATOM 0 HG2 GLU A 14 11.781 -8.309 -0.189 1.00 0.26 H new ATOM 0 HG3 GLU A 14 11.711 -6.610 -0.612 1.00 0.26 H new ATOM 223 N ALA A 15 7.975 -5.889 1.899 1.00 0.03 N ATOM 224 CA ALA A 15 6.894 -5.617 2.888 1.00 0.08 C ATOM 225 C ALA A 15 5.558 -6.063 2.288 1.00 0.11 C ATOM 226 O ALA A 15 4.723 -6.632 2.959 1.00 0.16 O ATOM 227 CB ALA A 15 6.859 -4.123 3.245 1.00 0.10 C ATOM 0 H ALA A 15 8.462 -5.064 1.549 1.00 0.03 H new ATOM 0 HA ALA A 15 7.084 -6.173 3.806 1.00 0.08 H new ATOM 0 HB1 ALA A 15 6.064 -3.940 3.968 1.00 0.10 H new ATOM 0 HB2 ALA A 15 7.816 -3.829 3.676 1.00 0.10 H new ATOM 0 HB3 ALA A 15 6.672 -3.538 2.345 1.00 0.10 H new ATOM 233 N PHE A 16 5.353 -5.802 1.024 1.00 0.07 N ATOM 234 CA PHE A 16 4.083 -6.193 0.353 1.00 0.08 C ATOM 235 C PHE A 16 3.965 -7.711 0.333 1.00 0.09 C ATOM 236 O PHE A 16 2.900 -8.266 0.510 1.00 0.14 O ATOM 237 CB PHE A 16 4.117 -5.652 -1.080 1.00 0.09 C ATOM 238 CG PHE A 16 2.767 -5.783 -1.742 1.00 0.07 C ATOM 239 CD1 PHE A 16 2.441 -6.950 -2.445 1.00 0.11 C ATOM 240 CD2 PHE A 16 1.853 -4.723 -1.680 1.00 0.05 C ATOM 241 CE1 PHE A 16 1.201 -7.056 -3.087 1.00 0.11 C ATOM 242 CE2 PHE A 16 0.611 -4.832 -2.316 1.00 0.04 C ATOM 243 CZ PHE A 16 0.288 -5.998 -3.020 1.00 0.07 C ATOM 0 H PHE A 16 6.024 -5.327 0.421 1.00 0.07 H new ATOM 0 HA PHE A 16 3.226 -5.784 0.888 1.00 0.08 H new ATOM 0 HB2 PHE A 16 4.420 -4.605 -1.070 1.00 0.09 H new ATOM 0 HB3 PHE A 16 4.864 -6.195 -1.659 1.00 0.09 H new ATOM 0 HD1 PHE A 16 3.145 -7.767 -2.492 1.00 0.11 H new ATOM 0 HD2 PHE A 16 2.107 -3.822 -1.142 1.00 0.05 H new ATOM 0 HE1 PHE A 16 0.950 -7.953 -3.633 1.00 0.11 H new ATOM 0 HE2 PHE A 16 -0.097 -4.018 -2.264 1.00 0.04 H new ATOM 0 HZ PHE A 16 -0.669 -6.081 -3.513 1.00 0.07 H new ATOM 253 N SER A 17 5.045 -8.386 0.079 1.00 0.20 N ATOM 254 CA SER A 17 5.000 -9.866 -0.001 1.00 0.22 C ATOM 255 C SER A 17 4.605 -10.523 1.328 1.00 0.20 C ATOM 256 O SER A 17 3.986 -11.568 1.365 1.00 0.21 O ATOM 257 CB SER A 17 6.378 -10.379 -0.416 1.00 0.32 C ATOM 258 OG SER A 17 7.338 -9.987 0.557 1.00 1.06 O ATOM 0 H SER A 17 5.964 -7.972 -0.078 1.00 0.20 H new ATOM 0 HA SER A 17 4.238 -10.130 -0.734 1.00 0.22 H new ATOM 0 HB2 SER A 17 6.361 -11.465 -0.510 1.00 0.32 H new ATOM 0 HB3 SER A 17 6.649 -9.978 -1.393 1.00 0.32 H new ATOM 0 HG SER A 17 7.056 -9.146 0.974 1.00 1.06 H new ATOM 264 N LEU A 18 4.981 -9.903 2.425 1.00 0.23 N ATOM 265 CA LEU A 18 4.668 -10.450 3.784 1.00 0.23 C ATOM 266 C LEU A 18 3.152 -10.606 3.966 1.00 0.18 C ATOM 267 O LEU A 18 2.704 -11.465 4.701 1.00 0.20 O ATOM 268 CB LEU A 18 5.188 -9.463 4.861 1.00 0.26 C ATOM 269 CG LEU A 18 6.665 -9.716 5.207 1.00 0.18 C ATOM 270 CD1 LEU A 18 7.198 -8.543 6.044 1.00 0.27 C ATOM 271 CD2 LEU A 18 6.799 -11.004 6.036 1.00 0.12 C ATOM 0 H LEU A 18 5.501 -9.025 2.433 1.00 0.23 H new ATOM 0 HA LEU A 18 5.148 -11.423 3.886 1.00 0.23 H new ATOM 0 HB2 LEU A 18 5.069 -8.440 4.503 1.00 0.26 H new ATOM 0 HB3 LEU A 18 4.583 -9.558 5.763 1.00 0.26 H new ATOM 0 HG LEU A 18 7.232 -9.813 4.281 1.00 0.18 H new ATOM 0 HD11 LEU A 18 8.245 -8.719 6.291 1.00 0.27 H new ATOM 0 HD12 LEU A 18 7.110 -7.619 5.473 1.00 0.27 H new ATOM 0 HD13 LEU A 18 6.617 -8.458 6.963 1.00 0.27 H new ATOM 0 HD21 LEU A 18 7.848 -11.175 6.276 1.00 0.12 H new ATOM 0 HD22 LEU A 18 6.227 -10.904 6.959 1.00 0.12 H new ATOM 0 HD23 LEU A 18 6.416 -11.848 5.462 1.00 0.12 H new ATOM 283 N PHE A 19 2.360 -9.772 3.340 1.00 0.15 N ATOM 284 CA PHE A 19 0.875 -9.860 3.521 1.00 0.11 C ATOM 285 C PHE A 19 0.232 -10.539 2.312 1.00 0.07 C ATOM 286 O PHE A 19 -0.974 -10.571 2.168 1.00 0.07 O ATOM 287 CB PHE A 19 0.329 -8.459 3.755 1.00 0.10 C ATOM 288 CG PHE A 19 0.963 -7.949 5.023 1.00 0.06 C ATOM 289 CD1 PHE A 19 2.264 -7.437 4.989 1.00 0.07 C ATOM 290 CD2 PHE A 19 0.270 -8.018 6.235 1.00 0.08 C ATOM 291 CE1 PHE A 19 2.875 -6.993 6.167 1.00 0.04 C ATOM 292 CE2 PHE A 19 0.877 -7.570 7.414 1.00 0.08 C ATOM 293 CZ PHE A 19 2.182 -7.059 7.379 1.00 0.02 C ATOM 0 H PHE A 19 2.676 -9.034 2.711 1.00 0.15 H new ATOM 0 HA PHE A 19 0.633 -10.473 4.389 1.00 0.11 H new ATOM 0 HB2 PHE A 19 0.567 -7.807 2.915 1.00 0.10 H new ATOM 0 HB3 PHE A 19 -0.757 -8.478 3.847 1.00 0.10 H new ATOM 0 HD1 PHE A 19 2.798 -7.384 4.052 1.00 0.07 H new ATOM 0 HD2 PHE A 19 -0.733 -8.417 6.262 1.00 0.08 H new ATOM 0 HE1 PHE A 19 3.881 -6.600 6.140 1.00 0.04 H new ATOM 0 HE2 PHE A 19 0.340 -7.618 8.350 1.00 0.08 H new ATOM 0 HZ PHE A 19 2.652 -6.716 8.289 1.00 0.02 H new ATOM 303 N ASP A 20 1.034 -11.151 1.486 1.00 0.06 N ATOM 304 CA ASP A 20 0.497 -11.919 0.327 1.00 0.05 C ATOM 305 C ASP A 20 0.522 -13.386 0.756 1.00 0.06 C ATOM 306 O ASP A 20 1.491 -14.090 0.551 1.00 0.09 O ATOM 307 CB ASP A 20 1.399 -11.716 -0.893 1.00 0.09 C ATOM 308 CG ASP A 20 0.841 -12.503 -2.079 1.00 0.13 C ATOM 309 OD1 ASP A 20 -0.177 -13.153 -1.906 1.00 1.13 O ATOM 310 OD2 ASP A 20 1.441 -12.445 -3.139 1.00 0.91 O ATOM 0 H ASP A 20 2.051 -11.152 1.565 1.00 0.06 H new ATOM 0 HA ASP A 20 -0.508 -11.595 0.055 1.00 0.05 H new ATOM 0 HB2 ASP A 20 1.458 -10.656 -1.142 1.00 0.09 H new ATOM 0 HB3 ASP A 20 2.413 -12.048 -0.668 1.00 0.09 H new ATOM 315 N LYS A 21 -0.508 -13.821 1.426 1.00 0.05 N ATOM 316 CA LYS A 21 -0.528 -15.211 1.969 1.00 0.08 C ATOM 317 C LYS A 21 -0.717 -16.273 0.896 1.00 0.01 C ATOM 318 O LYS A 21 -0.324 -17.406 1.095 1.00 0.02 O ATOM 319 CB LYS A 21 -1.658 -15.336 2.996 1.00 0.15 C ATOM 320 CG LYS A 21 -1.503 -14.266 4.087 1.00 0.16 C ATOM 321 CD LYS A 21 -0.266 -14.558 4.951 1.00 0.20 C ATOM 322 CE LYS A 21 -0.385 -13.823 6.290 1.00 0.35 C ATOM 323 NZ LYS A 21 -1.593 -14.307 7.016 1.00 2.14 N ATOM 0 H LYS A 21 -1.344 -13.270 1.623 1.00 0.05 H new ATOM 0 HA LYS A 21 0.446 -15.385 2.427 1.00 0.08 H new ATOM 0 HB2 LYS A 21 -2.623 -15.225 2.501 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -1.643 -16.329 3.445 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -1.410 -13.281 3.629 1.00 0.16 H new ATOM 0 HG3 LYS A 21 -2.395 -14.244 4.713 1.00 0.16 H new ATOM 0 HD2 LYS A 21 -0.175 -15.631 5.121 1.00 0.20 H new ATOM 0 HD3 LYS A 21 0.637 -14.240 4.430 1.00 0.20 H new ATOM 0 HE2 LYS A 21 0.507 -13.995 6.892 1.00 0.35 H new ATOM 0 HE3 LYS A 21 -0.455 -12.748 6.122 1.00 0.35 H new ATOM 0 HZ1 LYS A 21 -1.414 -14.287 8.040 1.00 2.14 H new ATOM 0 HZ2 LYS A 21 -2.401 -13.692 6.794 1.00 2.14 H new ATOM 0 HZ3 LYS A 21 -1.808 -15.281 6.721 1.00 2.14 H new ATOM 337 N ASP A 22 -1.345 -15.975 -0.206 1.00 0.05 N ATOM 338 CA ASP A 22 -1.582 -17.048 -1.227 1.00 0.12 C ATOM 339 C ASP A 22 -0.539 -16.980 -2.341 1.00 0.17 C ATOM 340 O ASP A 22 -0.574 -17.774 -3.260 1.00 0.24 O ATOM 341 CB ASP A 22 -2.972 -16.857 -1.838 1.00 0.17 C ATOM 342 CG ASP A 22 -4.041 -17.177 -0.792 1.00 0.26 C ATOM 343 OD1 ASP A 22 -3.722 -17.865 0.163 1.00 0.81 O ATOM 344 OD2 ASP A 22 -5.163 -16.729 -0.965 1.00 0.97 O ATOM 0 H ASP A 22 -1.702 -15.051 -0.448 1.00 0.05 H new ATOM 0 HA ASP A 22 -1.508 -18.018 -0.736 1.00 0.12 H new ATOM 0 HB2 ASP A 22 -3.088 -15.832 -2.189 1.00 0.17 H new ATOM 0 HB3 ASP A 22 -3.091 -17.507 -2.705 1.00 0.17 H new ATOM 349 N GLY A 23 0.388 -16.061 -2.302 1.00 0.16 N ATOM 350 CA GLY A 23 1.398 -15.999 -3.395 1.00 0.24 C ATOM 351 C GLY A 23 0.718 -15.524 -4.680 1.00 0.27 C ATOM 352 O GLY A 23 1.080 -15.925 -5.769 1.00 0.34 O ATOM 0 H GLY A 23 0.489 -15.359 -1.569 1.00 0.16 H new ATOM 0 HA2 GLY A 23 2.205 -15.318 -3.123 1.00 0.24 H new ATOM 0 HA3 GLY A 23 1.847 -16.980 -3.548 1.00 0.24 H new ATOM 356 N ASP A 24 -0.262 -14.662 -4.561 1.00 0.23 N ATOM 357 CA ASP A 24 -0.973 -14.144 -5.772 1.00 0.28 C ATOM 358 C ASP A 24 -0.459 -12.746 -6.134 1.00 0.25 C ATOM 359 O ASP A 24 -0.817 -12.188 -7.153 1.00 0.30 O ATOM 360 CB ASP A 24 -2.480 -14.097 -5.512 1.00 0.31 C ATOM 361 CG ASP A 24 -3.216 -13.802 -6.821 1.00 0.54 C ATOM 362 OD1 ASP A 24 -2.624 -14.005 -7.868 1.00 0.49 O ATOM 363 OD2 ASP A 24 -4.358 -13.378 -6.753 1.00 1.66 O ATOM 0 H ASP A 24 -0.602 -14.293 -3.673 1.00 0.23 H new ATOM 0 HA ASP A 24 -0.776 -14.815 -6.608 1.00 0.28 H new ATOM 0 HB2 ASP A 24 -2.818 -15.047 -5.099 1.00 0.31 H new ATOM 0 HB3 ASP A 24 -2.708 -13.329 -4.773 1.00 0.31 H new ATOM 368 N GLY A 25 0.398 -12.184 -5.321 1.00 0.17 N ATOM 369 CA GLY A 25 0.953 -10.836 -5.635 1.00 0.13 C ATOM 370 C GLY A 25 -0.047 -9.735 -5.264 1.00 0.11 C ATOM 371 O GLY A 25 0.071 -8.613 -5.717 1.00 0.09 O ATOM 0 H GLY A 25 0.737 -12.601 -4.454 1.00 0.17 H new ATOM 0 HA2 GLY A 25 1.885 -10.686 -5.090 1.00 0.13 H new ATOM 0 HA3 GLY A 25 1.191 -10.774 -6.697 1.00 0.13 H new ATOM 375 N THR A 26 -1.039 -10.043 -4.457 1.00 0.12 N ATOM 376 CA THR A 26 -2.055 -9.006 -4.073 1.00 0.10 C ATOM 377 C THR A 26 -2.312 -9.031 -2.568 1.00 0.09 C ATOM 378 O THR A 26 -2.107 -10.023 -1.897 1.00 0.09 O ATOM 379 CB THR A 26 -3.372 -9.276 -4.805 1.00 0.13 C ATOM 380 OG1 THR A 26 -3.863 -10.556 -4.430 1.00 0.16 O ATOM 381 CG2 THR A 26 -3.140 -9.241 -6.317 1.00 0.13 C ATOM 0 H THR A 26 -1.189 -10.966 -4.049 1.00 0.12 H new ATOM 0 HA THR A 26 -1.665 -8.027 -4.352 1.00 0.10 H new ATOM 0 HB THR A 26 -4.100 -8.510 -4.536 1.00 0.13 H new ATOM 0 HG1 THR A 26 -4.707 -10.732 -4.895 1.00 0.16 H new ATOM 0 HG21 THR A 26 -4.080 -9.434 -6.834 1.00 0.13 H new ATOM 0 HG22 THR A 26 -2.762 -8.260 -6.605 1.00 0.13 H new ATOM 0 HG23 THR A 26 -2.412 -10.005 -6.591 1.00 0.13 H new ATOM 389 N ILE A 27 -2.787 -7.931 -2.049 1.00 0.08 N ATOM 390 CA ILE A 27 -3.104 -7.838 -0.595 1.00 0.06 C ATOM 391 C ILE A 27 -4.486 -7.209 -0.465 1.00 0.08 C ATOM 392 O ILE A 27 -4.934 -6.502 -1.346 1.00 0.11 O ATOM 393 CB ILE A 27 -2.062 -6.968 0.128 1.00 0.06 C ATOM 394 CG1 ILE A 27 -2.054 -5.547 -0.457 1.00 0.06 C ATOM 395 CG2 ILE A 27 -0.674 -7.599 -0.028 1.00 0.07 C ATOM 396 CD1 ILE A 27 -1.047 -4.680 0.304 1.00 0.07 C ATOM 0 H ILE A 27 -2.972 -7.080 -2.580 1.00 0.08 H new ATOM 0 HA ILE A 27 -3.086 -8.829 -0.141 1.00 0.06 H new ATOM 0 HB ILE A 27 -2.321 -6.910 1.185 1.00 0.06 H new ATOM 0 HG12 ILE A 27 -1.793 -5.581 -1.515 1.00 0.06 H new ATOM 0 HG13 ILE A 27 -3.050 -5.110 -0.388 1.00 0.06 H new ATOM 0 HG21 ILE A 27 0.065 -6.983 0.484 1.00 0.07 H new ATOM 0 HG22 ILE A 27 -0.678 -8.598 0.407 1.00 0.07 H new ATOM 0 HG23 ILE A 27 -0.421 -7.665 -1.086 1.00 0.07 H new ATOM 0 HD11 ILE A 27 -1.045 -3.673 -0.114 1.00 0.07 H new ATOM 0 HD12 ILE A 27 -1.328 -4.635 1.356 1.00 0.07 H new ATOM 0 HD13 ILE A 27 -0.051 -5.113 0.212 1.00 0.07 H new ATOM 408 N THR A 28 -5.176 -7.457 0.607 1.00 0.08 N ATOM 409 CA THR A 28 -6.534 -6.865 0.754 1.00 0.09 C ATOM 410 C THR A 28 -6.440 -5.435 1.281 1.00 0.06 C ATOM 411 O THR A 28 -5.439 -5.023 1.833 1.00 0.02 O ATOM 412 CB THR A 28 -7.352 -7.684 1.751 1.00 0.11 C ATOM 413 OG1 THR A 28 -7.037 -7.258 3.071 1.00 0.09 O ATOM 414 CG2 THR A 28 -7.031 -9.174 1.601 1.00 0.12 C ATOM 0 H THR A 28 -4.864 -8.039 1.384 1.00 0.08 H new ATOM 0 HA THR A 28 -7.012 -6.868 -0.226 1.00 0.09 H new ATOM 0 HB THR A 28 -8.414 -7.533 1.556 1.00 0.11 H new ATOM 0 HG1 THR A 28 -7.560 -7.778 3.716 1.00 0.09 H new ATOM 0 HG21 THR A 28 -7.620 -9.747 2.317 1.00 0.12 H new ATOM 0 HG22 THR A 28 -7.274 -9.498 0.589 1.00 0.12 H new ATOM 0 HG23 THR A 28 -5.970 -9.338 1.790 1.00 0.12 H new ATOM 422 N THR A 29 -7.494 -4.683 1.125 1.00 0.08 N ATOM 423 CA THR A 29 -7.518 -3.281 1.620 1.00 0.06 C ATOM 424 C THR A 29 -7.373 -3.246 3.149 1.00 0.07 C ATOM 425 O THR A 29 -6.789 -2.337 3.703 1.00 0.06 O ATOM 426 CB THR A 29 -8.854 -2.643 1.218 1.00 0.07 C ATOM 427 OG1 THR A 29 -9.903 -3.576 1.431 1.00 0.08 O ATOM 428 CG2 THR A 29 -8.816 -2.247 -0.261 1.00 0.07 C ATOM 0 H THR A 29 -8.353 -4.988 0.667 1.00 0.08 H new ATOM 0 HA THR A 29 -6.686 -2.729 1.182 1.00 0.06 H new ATOM 0 HB THR A 29 -9.026 -1.753 1.823 1.00 0.07 H new ATOM 0 HG1 THR A 29 -10.758 -3.170 1.177 1.00 0.08 H new ATOM 0 HG21 THR A 29 -9.767 -1.794 -0.541 1.00 0.07 H new ATOM 0 HG22 THR A 29 -8.011 -1.531 -0.425 1.00 0.07 H new ATOM 0 HG23 THR A 29 -8.643 -3.134 -0.871 1.00 0.07 H new ATOM 436 N LYS A 30 -7.918 -4.214 3.833 1.00 0.10 N ATOM 437 CA LYS A 30 -7.835 -4.228 5.325 1.00 0.13 C ATOM 438 C LYS A 30 -6.384 -4.404 5.794 1.00 0.11 C ATOM 439 O LYS A 30 -6.057 -4.094 6.922 1.00 0.14 O ATOM 440 CB LYS A 30 -8.676 -5.393 5.857 1.00 0.17 C ATOM 441 CG LYS A 30 -10.173 -5.128 5.611 1.00 0.26 C ATOM 442 CD LYS A 30 -10.752 -4.234 6.718 1.00 0.39 C ATOM 443 CE LYS A 30 -12.274 -4.168 6.575 1.00 1.87 C ATOM 444 NZ LYS A 30 -12.629 -3.492 5.295 1.00 3.55 N ATOM 0 H LYS A 30 -8.420 -5.001 3.422 1.00 0.10 H new ATOM 0 HA LYS A 30 -8.209 -3.277 5.705 1.00 0.13 H new ATOM 0 HB2 LYS A 30 -8.378 -6.319 5.366 1.00 0.17 H new ATOM 0 HB3 LYS A 30 -8.494 -5.525 6.924 1.00 0.17 H new ATOM 0 HG2 LYS A 30 -10.309 -4.649 4.641 1.00 0.26 H new ATOM 0 HG3 LYS A 30 -10.715 -6.073 5.579 1.00 0.26 H new ATOM 0 HD2 LYS A 30 -10.485 -4.630 7.698 1.00 0.39 H new ATOM 0 HD3 LYS A 30 -10.326 -3.233 6.652 1.00 0.39 H new ATOM 0 HE2 LYS A 30 -12.695 -5.173 6.596 1.00 1.87 H new ATOM 0 HE3 LYS A 30 -12.705 -3.625 7.416 1.00 1.87 H new ATOM 0 HZ1 LYS A 30 -13.644 -3.266 5.292 1.00 3.55 H new ATOM 0 HZ2 LYS A 30 -12.079 -2.615 5.202 1.00 3.55 H new ATOM 0 HZ3 LYS A 30 -12.412 -4.123 4.497 1.00 3.55 H new ATOM 458 N GLU A 31 -5.516 -4.935 4.964 1.00 0.07 N ATOM 459 CA GLU A 31 -4.100 -5.164 5.412 1.00 0.08 C ATOM 460 C GLU A 31 -3.209 -4.016 4.925 1.00 0.08 C ATOM 461 O GLU A 31 -2.027 -3.980 5.201 1.00 0.17 O ATOM 462 CB GLU A 31 -3.586 -6.477 4.821 1.00 0.07 C ATOM 463 CG GLU A 31 -4.440 -7.640 5.332 1.00 0.10 C ATOM 464 CD GLU A 31 -4.143 -8.896 4.509 1.00 0.08 C ATOM 465 OE1 GLU A 31 -3.634 -8.756 3.408 1.00 0.25 O ATOM 466 OE2 GLU A 31 -4.429 -9.979 4.994 1.00 0.22 O ATOM 0 H GLU A 31 -5.722 -5.218 4.006 1.00 0.07 H new ATOM 0 HA GLU A 31 -4.073 -5.210 6.501 1.00 0.08 H new ATOM 0 HB2 GLU A 31 -3.623 -6.436 3.732 1.00 0.07 H new ATOM 0 HB3 GLU A 31 -2.543 -6.629 5.099 1.00 0.07 H new ATOM 0 HG2 GLU A 31 -4.228 -7.825 6.385 1.00 0.10 H new ATOM 0 HG3 GLU A 31 -5.498 -7.387 5.259 1.00 0.10 H new ATOM 473 N LEU A 32 -3.762 -3.081 4.201 1.00 0.08 N ATOM 474 CA LEU A 32 -2.936 -1.945 3.700 1.00 0.06 C ATOM 475 C LEU A 32 -2.338 -1.176 4.886 1.00 0.07 C ATOM 476 O LEU A 32 -1.150 -0.926 4.940 1.00 0.06 O ATOM 477 CB LEU A 32 -3.822 -1.021 2.850 1.00 0.05 C ATOM 478 CG LEU A 32 -3.089 0.283 2.519 1.00 0.03 C ATOM 479 CD1 LEU A 32 -1.730 -0.034 1.895 1.00 0.03 C ATOM 480 CD2 LEU A 32 -3.926 1.090 1.523 1.00 0.02 C ATOM 0 H LEU A 32 -4.746 -3.054 3.935 1.00 0.08 H new ATOM 0 HA LEU A 32 -2.118 -2.321 3.086 1.00 0.06 H new ATOM 0 HB2 LEU A 32 -4.105 -1.529 1.928 1.00 0.05 H new ATOM 0 HB3 LEU A 32 -4.744 -0.799 3.387 1.00 0.05 H new ATOM 0 HG LEU A 32 -2.941 0.859 3.433 1.00 0.03 H new ATOM 0 HD11 LEU A 32 -1.211 0.896 1.661 1.00 0.03 H new ATOM 0 HD12 LEU A 32 -1.133 -0.615 2.598 1.00 0.03 H new ATOM 0 HD13 LEU A 32 -1.875 -0.609 0.980 1.00 0.03 H new ATOM 0 HD21 LEU A 32 -3.410 2.020 1.283 1.00 0.02 H new ATOM 0 HD22 LEU A 32 -4.068 0.508 0.612 1.00 0.02 H new ATOM 0 HD23 LEU A 32 -4.897 1.317 1.964 1.00 0.02 H new ATOM 492 N GLY A 33 -3.150 -0.799 5.837 1.00 0.07 N ATOM 493 CA GLY A 33 -2.630 -0.048 7.017 1.00 0.08 C ATOM 494 C GLY A 33 -1.485 -0.824 7.680 1.00 0.07 C ATOM 495 O GLY A 33 -0.455 -0.265 7.997 1.00 0.08 O ATOM 0 H GLY A 33 -4.154 -0.979 5.848 1.00 0.07 H new ATOM 0 HA2 GLY A 33 -2.279 0.935 6.705 1.00 0.08 H new ATOM 0 HA3 GLY A 33 -3.433 0.114 7.736 1.00 0.08 H new ATOM 499 N THR A 34 -1.657 -2.099 7.912 1.00 0.07 N ATOM 500 CA THR A 34 -0.568 -2.880 8.578 1.00 0.07 C ATOM 501 C THR A 34 0.706 -2.838 7.725 1.00 0.06 C ATOM 502 O THR A 34 1.794 -2.663 8.236 1.00 0.06 O ATOM 503 CB THR A 34 -1.007 -4.330 8.781 1.00 0.09 C ATOM 504 OG1 THR A 34 -2.231 -4.354 9.502 1.00 0.14 O ATOM 505 CG2 THR A 34 0.068 -5.078 9.568 1.00 0.07 C ATOM 0 H THR A 34 -2.494 -2.630 7.673 1.00 0.07 H new ATOM 0 HA THR A 34 -0.362 -2.433 9.550 1.00 0.07 H new ATOM 0 HB THR A 34 -1.148 -4.811 7.813 1.00 0.09 H new ATOM 0 HG1 THR A 34 -2.516 -5.283 9.632 1.00 0.14 H new ATOM 0 HG21 THR A 34 -0.242 -6.113 9.715 1.00 0.07 H new ATOM 0 HG22 THR A 34 1.006 -5.055 9.014 1.00 0.07 H new ATOM 0 HG23 THR A 34 0.208 -4.600 10.538 1.00 0.07 H new ATOM 513 N VAL A 35 0.586 -2.972 6.428 1.00 0.06 N ATOM 514 CA VAL A 35 1.806 -2.908 5.567 1.00 0.07 C ATOM 515 C VAL A 35 2.437 -1.523 5.754 1.00 0.05 C ATOM 516 O VAL A 35 3.637 -1.382 5.881 1.00 0.10 O ATOM 517 CB VAL A 35 1.418 -3.100 4.094 1.00 0.11 C ATOM 518 CG1 VAL A 35 2.618 -2.785 3.193 1.00 0.09 C ATOM 519 CG2 VAL A 35 0.975 -4.546 3.858 1.00 0.16 C ATOM 0 H VAL A 35 -0.293 -3.121 5.933 1.00 0.06 H new ATOM 0 HA VAL A 35 2.508 -3.693 5.846 1.00 0.07 H new ATOM 0 HB VAL A 35 0.597 -2.424 3.855 1.00 0.11 H new ATOM 0 HG11 VAL A 35 2.336 -2.923 2.149 1.00 0.09 H new ATOM 0 HG12 VAL A 35 2.930 -1.753 3.351 1.00 0.09 H new ATOM 0 HG13 VAL A 35 3.442 -3.455 3.438 1.00 0.09 H new ATOM 0 HG21 VAL A 35 0.701 -4.676 2.811 1.00 0.16 H new ATOM 0 HG22 VAL A 35 1.793 -5.222 4.106 1.00 0.16 H new ATOM 0 HG23 VAL A 35 0.115 -4.771 4.489 1.00 0.16 H new ATOM 529 N MET A 36 1.619 -0.503 5.778 1.00 0.09 N ATOM 530 CA MET A 36 2.136 0.884 5.964 1.00 0.06 C ATOM 531 C MET A 36 2.865 0.989 7.315 1.00 0.04 C ATOM 532 O MET A 36 3.959 1.510 7.406 1.00 0.08 O ATOM 533 CB MET A 36 0.968 1.880 5.927 1.00 0.05 C ATOM 534 CG MET A 36 0.519 2.123 4.481 1.00 0.14 C ATOM 535 SD MET A 36 -0.597 3.549 4.437 1.00 1.20 S ATOM 536 CE MET A 36 -0.760 3.675 2.639 1.00 0.40 C ATOM 0 H MET A 36 0.607 -0.573 5.676 1.00 0.09 H new ATOM 0 HA MET A 36 2.834 1.119 5.160 1.00 0.06 H new ATOM 0 HB2 MET A 36 0.134 1.494 6.514 1.00 0.05 H new ATOM 0 HB3 MET A 36 1.270 2.822 6.384 1.00 0.05 H new ATOM 0 HG2 MET A 36 1.385 2.304 3.844 1.00 0.14 H new ATOM 0 HG3 MET A 36 0.015 1.239 4.090 1.00 0.14 H new ATOM 0 HE1 MET A 36 -0.663 4.718 2.337 1.00 0.40 H new ATOM 0 HE2 MET A 36 0.022 3.085 2.161 1.00 0.40 H new ATOM 0 HE3 MET A 36 -1.737 3.298 2.335 1.00 0.40 H new ATOM 546 N ARG A 37 2.259 0.480 8.362 1.00 0.09 N ATOM 547 CA ARG A 37 2.897 0.523 9.714 1.00 0.12 C ATOM 548 C ARG A 37 4.233 -0.229 9.667 1.00 0.08 C ATOM 549 O ARG A 37 5.218 0.202 10.234 1.00 0.09 O ATOM 550 CB ARG A 37 1.973 -0.162 10.726 1.00 0.23 C ATOM 551 CG ARG A 37 0.725 0.704 10.960 1.00 0.27 C ATOM 552 CD ARG A 37 -0.109 0.139 12.135 1.00 0.86 C ATOM 553 NE ARG A 37 -1.561 0.086 11.764 1.00 0.40 N ATOM 554 CZ ARG A 37 -2.156 1.101 11.192 1.00 0.76 C ATOM 555 NH1 ARG A 37 -1.522 2.227 11.022 1.00 0.69 N ATOM 556 NH2 ARG A 37 -3.403 0.997 10.818 1.00 1.54 N ATOM 0 H ARG A 37 1.342 0.033 8.336 1.00 0.09 H new ATOM 0 HA ARG A 37 3.067 1.559 10.008 1.00 0.12 H new ATOM 0 HB2 ARG A 37 1.681 -1.145 10.358 1.00 0.23 H new ATOM 0 HB3 ARG A 37 2.501 -0.318 11.667 1.00 0.23 H new ATOM 0 HG2 ARG A 37 1.022 1.730 11.176 1.00 0.27 H new ATOM 0 HG3 ARG A 37 0.118 0.732 10.055 1.00 0.27 H new ATOM 0 HD2 ARG A 37 0.244 -0.859 12.394 1.00 0.86 H new ATOM 0 HD3 ARG A 37 0.025 0.763 13.018 1.00 0.86 H new ATOM 0 HE ARG A 37 -2.096 -0.759 11.962 1.00 0.40 H new ATOM 0 HH11 ARG A 37 -0.556 2.321 11.336 1.00 0.69 H new ATOM 0 HH12 ARG A 37 -1.992 3.014 10.575 1.00 0.69 H new ATOM 0 HH21 ARG A 37 -3.911 0.126 10.972 1.00 1.54 H new ATOM 0 HH22 ARG A 37 -3.869 1.787 10.372 1.00 1.54 H new ATOM 570 N SER A 38 4.282 -1.337 8.973 1.00 0.08 N ATOM 571 CA SER A 38 5.563 -2.095 8.871 1.00 0.10 C ATOM 572 C SER A 38 6.549 -1.278 8.027 1.00 0.10 C ATOM 573 O SER A 38 7.748 -1.438 8.140 1.00 0.13 O ATOM 574 CB SER A 38 5.324 -3.459 8.225 1.00 0.16 C ATOM 575 OG SER A 38 5.036 -3.280 6.844 1.00 0.13 O ATOM 0 H SER A 38 3.493 -1.748 8.474 1.00 0.08 H new ATOM 0 HA SER A 38 5.973 -2.258 9.868 1.00 0.10 H new ATOM 0 HB2 SER A 38 6.204 -4.091 8.346 1.00 0.16 H new ATOM 0 HB3 SER A 38 4.496 -3.968 8.718 1.00 0.16 H new ATOM 0 HG SER A 38 4.535 -2.447 6.720 1.00 0.13 H new ATOM 581 N LEU A 39 6.064 -0.412 7.174 1.00 0.10 N ATOM 582 CA LEU A 39 6.993 0.392 6.327 1.00 0.16 C ATOM 583 C LEU A 39 7.480 1.630 7.094 1.00 0.14 C ATOM 584 O LEU A 39 8.347 2.348 6.635 1.00 0.18 O ATOM 585 CB LEU A 39 6.276 0.833 5.048 1.00 0.22 C ATOM 586 CG LEU A 39 6.106 -0.364 4.099 1.00 0.26 C ATOM 587 CD1 LEU A 39 5.217 0.056 2.926 1.00 0.27 C ATOM 588 CD2 LEU A 39 7.478 -0.839 3.568 1.00 0.25 C ATOM 0 H LEU A 39 5.071 -0.228 7.029 1.00 0.10 H new ATOM 0 HA LEU A 39 7.853 -0.226 6.069 1.00 0.16 H new ATOM 0 HB2 LEU A 39 5.301 1.253 5.295 1.00 0.22 H new ATOM 0 HB3 LEU A 39 6.846 1.620 4.555 1.00 0.22 H new ATOM 0 HG LEU A 39 5.645 -1.188 4.643 1.00 0.26 H new ATOM 0 HD11 LEU A 39 5.090 -0.786 2.246 1.00 0.27 H new ATOM 0 HD12 LEU A 39 4.243 0.369 3.302 1.00 0.27 H new ATOM 0 HD13 LEU A 39 5.684 0.885 2.394 1.00 0.27 H new ATOM 0 HD21 LEU A 39 7.335 -1.687 2.898 1.00 0.25 H new ATOM 0 HD22 LEU A 39 7.960 -0.025 3.026 1.00 0.25 H new ATOM 0 HD23 LEU A 39 8.108 -1.140 4.405 1.00 0.25 H new ATOM 600 N GLY A 40 6.953 1.878 8.272 1.00 0.09 N ATOM 601 CA GLY A 40 7.410 3.058 9.082 1.00 0.12 C ATOM 602 C GLY A 40 6.476 4.260 8.890 1.00 0.20 C ATOM 603 O GLY A 40 6.921 5.391 8.903 1.00 0.23 O ATOM 0 H GLY A 40 6.225 1.313 8.709 1.00 0.09 H new ATOM 0 HA2 GLY A 40 7.445 2.786 10.137 1.00 0.12 H new ATOM 0 HA3 GLY A 40 8.424 3.332 8.790 1.00 0.12 H new ATOM 607 N GLN A 41 5.195 4.038 8.730 1.00 0.21 N ATOM 608 CA GLN A 41 4.238 5.181 8.557 1.00 0.28 C ATOM 609 C GLN A 41 3.115 5.040 9.587 1.00 0.28 C ATOM 610 O GLN A 41 2.799 3.949 10.020 1.00 0.24 O ATOM 611 CB GLN A 41 3.638 5.129 7.150 1.00 0.29 C ATOM 612 CG GLN A 41 4.754 5.251 6.110 1.00 0.36 C ATOM 613 CD GLN A 41 5.354 6.658 6.164 1.00 0.90 C ATOM 614 OE1 GLN A 41 4.702 7.622 5.817 1.00 1.65 O ATOM 615 NE2 GLN A 41 6.579 6.817 6.587 1.00 1.77 N ATOM 0 H GLN A 41 4.767 3.112 8.711 1.00 0.21 H new ATOM 0 HA GLN A 41 4.759 6.128 8.697 1.00 0.28 H new ATOM 0 HB2 GLN A 41 3.097 4.193 7.009 1.00 0.29 H new ATOM 0 HB3 GLN A 41 2.917 5.937 7.021 1.00 0.29 H new ATOM 0 HG2 GLN A 41 5.527 4.507 6.303 1.00 0.36 H new ATOM 0 HG3 GLN A 41 4.360 5.051 5.114 1.00 0.36 H new ATOM 0 HE21 GLN A 41 7.127 6.008 6.879 1.00 1.77 H new ATOM 0 HE22 GLN A 41 6.988 7.751 6.626 1.00 1.77 H new ATOM 624 N ASN A 42 2.517 6.132 9.998 1.00 0.33 N ATOM 625 CA ASN A 42 1.421 6.091 11.016 1.00 0.33 C ATOM 626 C ASN A 42 0.224 6.880 10.478 1.00 0.35 C ATOM 627 O ASN A 42 0.038 8.034 10.810 1.00 0.40 O ATOM 628 CB ASN A 42 1.914 6.753 12.304 1.00 0.39 C ATOM 629 CG ASN A 42 0.920 6.477 13.432 1.00 0.41 C ATOM 630 OD1 ASN A 42 0.656 5.338 13.760 1.00 1.24 O ATOM 631 ND2 ASN A 42 0.351 7.481 14.041 1.00 1.44 N ATOM 0 H ASN A 42 2.747 7.068 9.664 1.00 0.33 H new ATOM 0 HA ASN A 42 1.132 5.059 11.217 1.00 0.33 H new ATOM 0 HB2 ASN A 42 2.898 6.367 12.570 1.00 0.39 H new ATOM 0 HB3 ASN A 42 2.022 7.827 12.155 1.00 0.39 H new ATOM 0 HD21 ASN A 42 -0.316 7.309 14.793 1.00 1.44 H new ATOM 0 HD22 ASN A 42 0.573 8.437 13.765 1.00 1.44 H new ATOM 638 N PRO A 43 -0.569 6.274 9.636 1.00 0.32 N ATOM 639 CA PRO A 43 -1.750 6.943 9.020 1.00 0.34 C ATOM 640 C PRO A 43 -2.990 6.945 9.927 1.00 0.33 C ATOM 641 O PRO A 43 -3.188 6.039 10.713 1.00 0.34 O ATOM 642 CB PRO A 43 -1.991 6.091 7.765 1.00 0.33 C ATOM 643 CG PRO A 43 -1.573 4.712 8.156 1.00 0.28 C ATOM 644 CD PRO A 43 -0.433 4.878 9.171 1.00 0.27 C ATOM 0 HA PRO A 43 -1.569 8.000 8.823 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -3.038 6.117 7.464 1.00 0.33 H new ATOM 0 HB3 PRO A 43 -1.408 6.457 6.920 1.00 0.33 H new ATOM 0 HG2 PRO A 43 -2.406 4.163 8.594 1.00 0.28 H new ATOM 0 HG3 PRO A 43 -1.240 4.146 7.286 1.00 0.28 H new ATOM 0 HD2 PRO A 43 -0.527 4.172 9.996 1.00 0.27 H new ATOM 0 HD3 PRO A 43 0.540 4.703 8.711 1.00 0.27 H new ATOM 652 N THR A 44 -3.839 7.939 9.819 1.00 0.33 N ATOM 653 CA THR A 44 -5.062 7.955 10.673 1.00 0.32 C ATOM 654 C THR A 44 -6.126 7.080 10.024 1.00 0.32 C ATOM 655 O THR A 44 -5.976 6.635 8.904 1.00 0.33 O ATOM 656 CB THR A 44 -5.606 9.375 10.816 1.00 0.31 C ATOM 657 OG1 THR A 44 -5.758 9.950 9.532 1.00 0.31 O ATOM 658 CG2 THR A 44 -4.638 10.216 11.647 1.00 0.38 C ATOM 0 H THR A 44 -3.738 8.730 9.183 1.00 0.33 H new ATOM 0 HA THR A 44 -4.805 7.578 11.663 1.00 0.32 H new ATOM 0 HB THR A 44 -6.573 9.345 11.317 1.00 0.31 H new ATOM 0 HG1 THR A 44 -6.109 10.861 9.621 1.00 0.31 H new ATOM 0 HG21 THR A 44 -5.029 11.228 11.747 1.00 0.38 H new ATOM 0 HG22 THR A 44 -4.526 9.771 12.636 1.00 0.38 H new ATOM 0 HG23 THR A 44 -3.668 10.249 11.152 1.00 0.38 H new ATOM 666 N GLU A 45 -7.193 6.810 10.718 1.00 0.32 N ATOM 667 CA GLU A 45 -8.251 5.943 10.136 1.00 0.32 C ATOM 668 C GLU A 45 -8.894 6.627 8.923 1.00 0.25 C ATOM 669 O GLU A 45 -9.115 6.007 7.902 1.00 0.23 O ATOM 670 CB GLU A 45 -9.313 5.666 11.198 1.00 0.35 C ATOM 671 CG GLU A 45 -8.786 4.633 12.197 1.00 0.51 C ATOM 672 CD GLU A 45 -9.853 4.362 13.260 1.00 0.44 C ATOM 673 OE1 GLU A 45 -10.831 5.091 13.288 1.00 1.56 O ATOM 674 OE2 GLU A 45 -9.673 3.432 14.029 1.00 1.20 O ATOM 0 H GLU A 45 -7.378 7.151 11.661 1.00 0.32 H new ATOM 0 HA GLU A 45 -7.805 5.004 9.808 1.00 0.32 H new ATOM 0 HB2 GLU A 45 -9.572 6.589 11.717 1.00 0.35 H new ATOM 0 HB3 GLU A 45 -10.225 5.299 10.727 1.00 0.35 H new ATOM 0 HG2 GLU A 45 -8.530 3.709 11.680 1.00 0.51 H new ATOM 0 HG3 GLU A 45 -7.873 4.999 12.667 1.00 0.51 H new ATOM 681 N ALA A 46 -9.202 7.891 9.020 1.00 0.22 N ATOM 682 CA ALA A 46 -9.837 8.589 7.863 1.00 0.16 C ATOM 683 C ALA A 46 -8.879 8.583 6.668 1.00 0.18 C ATOM 684 O ALA A 46 -9.293 8.416 5.538 1.00 0.17 O ATOM 685 CB ALA A 46 -10.176 10.032 8.256 1.00 0.12 C ATOM 0 H ALA A 46 -9.043 8.469 9.845 1.00 0.22 H new ATOM 0 HA ALA A 46 -10.754 8.070 7.585 1.00 0.16 H new ATOM 0 HB1 ALA A 46 -10.639 10.540 7.410 1.00 0.12 H new ATOM 0 HB2 ALA A 46 -10.867 10.027 9.099 1.00 0.12 H new ATOM 0 HB3 ALA A 46 -9.263 10.556 8.538 1.00 0.12 H new ATOM 691 N GLU A 47 -7.602 8.743 6.898 1.00 0.22 N ATOM 692 CA GLU A 47 -6.648 8.718 5.752 1.00 0.27 C ATOM 693 C GLU A 47 -6.630 7.306 5.178 1.00 0.29 C ATOM 694 O GLU A 47 -6.558 7.115 3.984 1.00 0.32 O ATOM 695 CB GLU A 47 -5.240 9.086 6.217 1.00 0.32 C ATOM 696 CG GLU A 47 -5.183 10.567 6.596 1.00 0.32 C ATOM 697 CD GLU A 47 -3.769 10.920 7.065 1.00 0.59 C ATOM 698 OE1 GLU A 47 -2.985 10.005 7.258 1.00 0.97 O ATOM 699 OE2 GLU A 47 -3.495 12.098 7.222 1.00 0.46 O ATOM 0 H GLU A 47 -7.183 8.888 7.817 1.00 0.22 H new ATOM 0 HA GLU A 47 -6.965 9.440 5.000 1.00 0.27 H new ATOM 0 HB2 GLU A 47 -4.959 8.472 7.073 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -4.521 8.877 5.425 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -5.458 11.183 5.740 1.00 0.32 H new ATOM 0 HG3 GLU A 47 -5.903 10.779 7.386 1.00 0.32 H new ATOM 706 N LEU A 48 -6.715 6.306 6.017 1.00 0.30 N ATOM 707 CA LEU A 48 -6.719 4.909 5.504 1.00 0.33 C ATOM 708 C LEU A 48 -7.990 4.679 4.693 1.00 0.29 C ATOM 709 O LEU A 48 -7.959 4.078 3.641 1.00 0.31 O ATOM 710 CB LEU A 48 -6.678 3.909 6.668 1.00 0.36 C ATOM 711 CG LEU A 48 -5.292 3.889 7.329 1.00 0.35 C ATOM 712 CD1 LEU A 48 -5.361 3.029 8.598 1.00 0.49 C ATOM 713 CD2 LEU A 48 -4.241 3.301 6.365 1.00 0.65 C ATOM 0 H LEU A 48 -6.781 6.398 7.031 1.00 0.30 H new ATOM 0 HA LEU A 48 -5.839 4.760 4.879 1.00 0.33 H new ATOM 0 HB2 LEU A 48 -7.433 4.175 7.407 1.00 0.36 H new ATOM 0 HB3 LEU A 48 -6.926 2.912 6.304 1.00 0.36 H new ATOM 0 HG LEU A 48 -5.000 4.909 7.580 1.00 0.35 H new ATOM 0 HD11 LEU A 48 -4.382 3.007 9.076 1.00 0.49 H new ATOM 0 HD12 LEU A 48 -6.092 3.454 9.286 1.00 0.49 H new ATOM 0 HD13 LEU A 48 -5.658 2.014 8.334 1.00 0.49 H new ATOM 0 HD21 LEU A 48 -3.265 3.295 6.851 1.00 0.65 H new ATOM 0 HD22 LEU A 48 -4.521 2.281 6.100 1.00 0.65 H new ATOM 0 HD23 LEU A 48 -4.193 3.911 5.463 1.00 0.65 H new ATOM 725 N GLN A 49 -9.113 5.130 5.173 1.00 0.24 N ATOM 726 CA GLN A 49 -10.376 4.896 4.422 1.00 0.18 C ATOM 727 C GLN A 49 -10.328 5.598 3.064 1.00 0.18 C ATOM 728 O GLN A 49 -10.809 5.085 2.073 1.00 0.16 O ATOM 729 CB GLN A 49 -11.573 5.421 5.228 1.00 0.15 C ATOM 730 CG GLN A 49 -11.879 4.476 6.396 1.00 0.17 C ATOM 731 CD GLN A 49 -13.190 4.898 7.065 1.00 1.05 C ATOM 732 OE1 GLN A 49 -13.372 6.052 7.398 1.00 1.40 O ATOM 733 NE2 GLN A 49 -14.117 4.004 7.277 1.00 2.25 N ATOM 0 H GLN A 49 -9.212 5.647 6.047 1.00 0.24 H new ATOM 0 HA GLN A 49 -10.489 3.824 4.263 1.00 0.18 H new ATOM 0 HB2 GLN A 49 -11.356 6.420 5.606 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -12.446 5.507 4.582 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -11.956 3.450 6.037 1.00 0.17 H new ATOM 0 HG3 GLN A 49 -11.065 4.500 7.120 1.00 0.17 H new ATOM 0 HE21 GLN A 49 -13.964 3.035 6.997 1.00 2.25 H new ATOM 0 HE22 GLN A 49 -14.994 4.274 7.722 1.00 2.25 H new ATOM 742 N ASP A 50 -9.768 6.777 3.010 1.00 0.21 N ATOM 743 CA ASP A 50 -9.713 7.509 1.718 1.00 0.23 C ATOM 744 C ASP A 50 -8.794 6.741 0.770 1.00 0.26 C ATOM 745 O ASP A 50 -9.092 6.568 -0.396 1.00 0.27 O ATOM 746 CB ASP A 50 -9.180 8.928 1.937 1.00 0.25 C ATOM 747 CG ASP A 50 -10.230 9.764 2.671 1.00 0.95 C ATOM 748 OD1 ASP A 50 -11.393 9.398 2.618 1.00 1.54 O ATOM 749 OD2 ASP A 50 -9.855 10.757 3.272 1.00 1.73 O ATOM 0 H ASP A 50 -9.348 7.261 3.804 1.00 0.21 H new ATOM 0 HA ASP A 50 -10.712 7.584 1.289 1.00 0.23 H new ATOM 0 HB2 ASP A 50 -8.257 8.895 2.516 1.00 0.25 H new ATOM 0 HB3 ASP A 50 -8.939 9.388 0.979 1.00 0.25 H new ATOM 754 N MET A 51 -7.688 6.263 1.264 1.00 0.31 N ATOM 755 CA MET A 51 -6.763 5.490 0.395 1.00 0.34 C ATOM 756 C MET A 51 -7.492 4.238 -0.077 1.00 0.30 C ATOM 757 O MET A 51 -7.286 3.762 -1.175 1.00 0.33 O ATOM 758 CB MET A 51 -5.519 5.099 1.196 1.00 0.40 C ATOM 759 CG MET A 51 -4.729 6.361 1.548 1.00 0.42 C ATOM 760 SD MET A 51 -3.431 5.951 2.742 1.00 0.53 S ATOM 761 CE MET A 51 -2.727 7.612 2.894 1.00 0.48 C ATOM 0 H MET A 51 -7.385 6.374 2.232 1.00 0.31 H new ATOM 0 HA MET A 51 -6.454 6.088 -0.462 1.00 0.34 H new ATOM 0 HB2 MET A 51 -5.808 4.571 2.105 1.00 0.40 H new ATOM 0 HB3 MET A 51 -4.898 4.417 0.616 1.00 0.40 H new ATOM 0 HG2 MET A 51 -4.287 6.789 0.648 1.00 0.42 H new ATOM 0 HG3 MET A 51 -5.396 7.115 1.965 1.00 0.42 H new ATOM 0 HE1 MET A 51 -2.263 7.722 3.874 1.00 0.48 H new ATOM 0 HE2 MET A 51 -1.976 7.761 2.118 1.00 0.48 H new ATOM 0 HE3 MET A 51 -3.518 8.354 2.782 1.00 0.48 H new ATOM 771 N ILE A 52 -8.333 3.685 0.754 1.00 0.24 N ATOM 772 CA ILE A 52 -9.060 2.451 0.364 1.00 0.20 C ATOM 773 C ILE A 52 -10.113 2.766 -0.701 1.00 0.14 C ATOM 774 O ILE A 52 -10.276 2.040 -1.662 1.00 0.14 O ATOM 775 CB ILE A 52 -9.724 1.841 1.603 1.00 0.20 C ATOM 776 CG1 ILE A 52 -8.641 1.323 2.563 1.00 0.28 C ATOM 777 CG2 ILE A 52 -10.636 0.682 1.188 1.00 0.19 C ATOM 778 CD1 ILE A 52 -9.218 1.122 3.970 1.00 0.34 C ATOM 0 H ILE A 52 -8.546 4.038 1.687 1.00 0.24 H new ATOM 0 HA ILE A 52 -8.353 1.736 -0.056 1.00 0.20 H new ATOM 0 HB ILE A 52 -10.320 2.605 2.103 1.00 0.20 H new ATOM 0 HG12 ILE A 52 -8.238 0.381 2.191 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -7.813 2.031 2.601 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -11.105 0.253 2.074 1.00 0.19 H new ATOM 0 HG22 ILE A 52 -11.407 1.050 0.511 1.00 0.19 H new ATOM 0 HG23 ILE A 52 -10.046 -0.083 0.683 1.00 0.19 H new ATOM 0 HD11 ILE A 52 -8.436 0.755 4.635 1.00 0.34 H new ATOM 0 HD12 ILE A 52 -9.598 2.072 4.346 1.00 0.34 H new ATOM 0 HD13 ILE A 52 -10.030 0.396 3.930 1.00 0.34 H new ATOM 790 N ASN A 53 -10.833 3.830 -0.529 1.00 0.12 N ATOM 791 CA ASN A 53 -11.888 4.192 -1.516 1.00 0.18 C ATOM 792 C ASN A 53 -11.267 4.568 -2.859 1.00 0.24 C ATOM 793 O ASN A 53 -11.908 4.475 -3.888 1.00 0.28 O ATOM 794 CB ASN A 53 -12.670 5.402 -0.966 1.00 0.27 C ATOM 795 CG ASN A 53 -14.046 5.492 -1.638 1.00 0.69 C ATOM 796 OD1 ASN A 53 -14.526 4.532 -2.205 1.00 1.12 O ATOM 797 ND2 ASN A 53 -14.707 6.617 -1.593 1.00 1.92 N ATOM 0 H ASN A 53 -10.739 4.473 0.258 1.00 0.12 H new ATOM 0 HA ASN A 53 -12.547 3.337 -1.667 1.00 0.18 H new ATOM 0 HB2 ASN A 53 -12.790 5.307 0.113 1.00 0.27 H new ATOM 0 HB3 ASN A 53 -12.109 6.319 -1.145 1.00 0.27 H new ATOM 0 HD21 ASN A 53 -15.624 6.688 -2.034 1.00 1.92 H new ATOM 0 HD22 ASN A 53 -14.306 7.425 -1.117 1.00 1.92 H new ATOM 804 N GLU A 54 -10.041 5.018 -2.874 1.00 0.26 N ATOM 805 CA GLU A 54 -9.419 5.420 -4.168 1.00 0.34 C ATOM 806 C GLU A 54 -8.932 4.175 -4.922 1.00 0.36 C ATOM 807 O GLU A 54 -9.187 4.014 -6.100 1.00 0.37 O ATOM 808 CB GLU A 54 -8.231 6.361 -3.903 1.00 0.39 C ATOM 809 CG GLU A 54 -8.734 7.790 -3.658 1.00 0.62 C ATOM 810 CD GLU A 54 -7.542 8.705 -3.365 1.00 0.57 C ATOM 811 OE1 GLU A 54 -6.453 8.185 -3.180 1.00 1.81 O ATOM 812 OE2 GLU A 54 -7.738 9.908 -3.330 1.00 0.90 O ATOM 0 H GLU A 54 -9.447 5.124 -2.052 1.00 0.26 H new ATOM 0 HA GLU A 54 -10.162 5.938 -4.774 1.00 0.34 H new ATOM 0 HB2 GLU A 54 -7.667 6.012 -3.038 1.00 0.39 H new ATOM 0 HB3 GLU A 54 -7.550 6.348 -4.754 1.00 0.39 H new ATOM 0 HG2 GLU A 54 -9.278 8.151 -4.531 1.00 0.62 H new ATOM 0 HG3 GLU A 54 -9.431 7.803 -2.820 1.00 0.62 H new ATOM 819 N VAL A 55 -8.200 3.317 -4.271 1.00 0.37 N ATOM 820 CA VAL A 55 -7.652 2.111 -4.956 1.00 0.40 C ATOM 821 C VAL A 55 -8.743 1.119 -5.321 1.00 0.32 C ATOM 822 O VAL A 55 -8.564 0.310 -6.211 1.00 0.32 O ATOM 823 CB VAL A 55 -6.642 1.438 -4.037 1.00 0.40 C ATOM 824 CG1 VAL A 55 -5.974 0.283 -4.776 1.00 0.45 C ATOM 825 CG2 VAL A 55 -5.587 2.461 -3.613 1.00 0.54 C ATOM 0 H VAL A 55 -7.955 3.399 -3.284 1.00 0.37 H new ATOM 0 HA VAL A 55 -7.177 2.433 -5.882 1.00 0.40 H new ATOM 0 HB VAL A 55 -7.149 1.052 -3.152 1.00 0.40 H new ATOM 0 HG11 VAL A 55 -5.251 -0.200 -4.119 1.00 0.45 H new ATOM 0 HG12 VAL A 55 -6.730 -0.442 -5.078 1.00 0.45 H new ATOM 0 HG13 VAL A 55 -5.463 0.664 -5.660 1.00 0.45 H new ATOM 0 HG21 VAL A 55 -4.861 1.984 -2.955 1.00 0.54 H new ATOM 0 HG22 VAL A 55 -5.077 2.846 -4.496 1.00 0.54 H new ATOM 0 HG23 VAL A 55 -6.069 3.284 -3.085 1.00 0.54 H new ATOM 835 N ASP A 56 -9.856 1.158 -4.659 1.00 0.25 N ATOM 836 CA ASP A 56 -10.965 0.193 -4.977 1.00 0.22 C ATOM 837 C ASP A 56 -12.130 0.951 -5.597 1.00 0.36 C ATOM 838 O ASP A 56 -13.268 0.825 -5.192 1.00 0.45 O ATOM 839 CB ASP A 56 -11.416 -0.515 -3.702 1.00 0.16 C ATOM 840 CG ASP A 56 -12.588 -1.427 -4.034 1.00 0.25 C ATOM 841 OD1 ASP A 56 -12.903 -1.534 -5.205 1.00 0.95 O ATOM 842 OD2 ASP A 56 -13.150 -2.003 -3.117 1.00 0.96 O ATOM 0 H ASP A 56 -10.059 1.815 -3.906 1.00 0.25 H new ATOM 0 HA ASP A 56 -10.607 -0.555 -5.684 1.00 0.22 H new ATOM 0 HB2 ASP A 56 -10.594 -1.095 -3.282 1.00 0.16 H new ATOM 0 HB3 ASP A 56 -11.709 0.216 -2.948 1.00 0.16 H new ATOM 847 N ALA A 57 -11.831 1.757 -6.566 1.00 0.43 N ATOM 848 CA ALA A 57 -12.878 2.567 -7.231 1.00 0.56 C ATOM 849 C ALA A 57 -13.990 1.705 -7.830 1.00 0.50 C ATOM 850 O ALA A 57 -15.155 2.053 -7.811 1.00 0.63 O ATOM 851 CB ALA A 57 -12.231 3.381 -8.353 1.00 0.67 C ATOM 0 H ALA A 57 -10.889 1.892 -6.933 1.00 0.43 H new ATOM 0 HA ALA A 57 -13.327 3.212 -6.476 1.00 0.56 H new ATOM 0 HB1 ALA A 57 -12.991 3.982 -8.851 1.00 0.67 H new ATOM 0 HB2 ALA A 57 -11.468 4.036 -7.933 1.00 0.67 H new ATOM 0 HB3 ALA A 57 -11.772 2.705 -9.075 1.00 0.67 H new ATOM 857 N ASP A 58 -13.614 0.579 -8.374 1.00 0.31 N ATOM 858 CA ASP A 58 -14.619 -0.328 -8.998 1.00 0.25 C ATOM 859 C ASP A 58 -15.348 -1.139 -7.917 1.00 0.34 C ATOM 860 O ASP A 58 -16.456 -1.602 -8.102 1.00 0.43 O ATOM 861 CB ASP A 58 -13.914 -1.281 -9.967 1.00 0.13 C ATOM 862 CG ASP A 58 -14.957 -2.046 -10.786 1.00 0.28 C ATOM 863 OD1 ASP A 58 -16.082 -1.580 -10.860 1.00 1.04 O ATOM 864 OD2 ASP A 58 -14.612 -3.084 -11.326 1.00 1.11 O ATOM 0 H ASP A 58 -12.650 0.247 -8.413 1.00 0.31 H new ATOM 0 HA ASP A 58 -15.350 0.272 -9.540 1.00 0.25 H new ATOM 0 HB2 ASP A 58 -13.256 -0.720 -10.631 1.00 0.13 H new ATOM 0 HB3 ASP A 58 -13.287 -1.980 -9.414 1.00 0.13 H new ATOM 869 N GLY A 59 -14.743 -1.224 -6.753 1.00 0.39 N ATOM 870 CA GLY A 59 -15.423 -1.915 -5.598 1.00 0.59 C ATOM 871 C GLY A 59 -14.925 -3.351 -5.322 1.00 0.63 C ATOM 872 O GLY A 59 -15.701 -4.151 -4.835 1.00 0.80 O ATOM 0 H GLY A 59 -13.816 -0.850 -6.550 1.00 0.39 H new ATOM 0 HA2 GLY A 59 -15.280 -1.316 -4.699 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -16.495 -1.948 -5.792 1.00 0.59 H new ATOM 876 N ASN A 60 -13.695 -3.735 -5.634 1.00 0.57 N ATOM 877 CA ASN A 60 -13.288 -5.179 -5.375 1.00 0.74 C ATOM 878 C ASN A 60 -12.482 -5.328 -4.070 1.00 0.74 C ATOM 879 O ASN A 60 -12.058 -6.412 -3.728 1.00 1.36 O ATOM 880 CB ASN A 60 -12.477 -5.734 -6.554 1.00 0.76 C ATOM 881 CG ASN A 60 -12.378 -7.256 -6.431 1.00 2.30 C ATOM 882 OD1 ASN A 60 -12.962 -7.858 -5.431 1.00 3.32 O flip ATOM 883 ND2 ASN A 60 -11.762 -7.905 -7.253 1.00 3.48 N flip ATOM 0 H ASN A 60 -12.976 -3.138 -6.042 1.00 0.57 H new ATOM 0 HA ASN A 60 -14.208 -5.754 -5.268 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -12.954 -5.465 -7.496 1.00 0.76 H new ATOM 0 HB3 ASN A 60 -11.480 -5.293 -6.564 1.00 0.76 H new ATOM 0 HD21 ASN A 60 -11.305 -7.436 -8.035 1.00 3.48 H new ATOM 0 HD22 ASN A 60 -11.702 -8.919 -7.161 1.00 3.48 H new ATOM 890 N GLY A 61 -12.318 -4.283 -3.308 1.00 0.12 N ATOM 891 CA GLY A 61 -11.599 -4.392 -1.995 1.00 0.13 C ATOM 892 C GLY A 61 -10.252 -5.137 -2.084 1.00 0.17 C ATOM 893 O GLY A 61 -9.892 -5.849 -1.167 1.00 0.28 O ATOM 0 H GLY A 61 -12.652 -3.347 -3.536 1.00 0.12 H new ATOM 0 HA2 GLY A 61 -11.424 -3.390 -1.603 1.00 0.13 H new ATOM 0 HA3 GLY A 61 -12.242 -4.907 -1.281 1.00 0.13 H new ATOM 897 N THR A 62 -9.486 -4.979 -3.137 1.00 0.13 N ATOM 898 CA THR A 62 -8.154 -5.681 -3.208 1.00 0.15 C ATOM 899 C THR A 62 -7.109 -4.744 -3.830 1.00 0.13 C ATOM 900 O THR A 62 -7.425 -3.904 -4.650 1.00 0.13 O ATOM 901 CB THR A 62 -8.261 -6.956 -4.048 1.00 0.21 C ATOM 902 OG1 THR A 62 -8.798 -6.644 -5.326 1.00 0.26 O ATOM 903 CG2 THR A 62 -9.161 -7.974 -3.344 1.00 0.42 C ATOM 0 H THR A 62 -9.717 -4.402 -3.945 1.00 0.13 H new ATOM 0 HA THR A 62 -7.850 -5.952 -2.197 1.00 0.15 H new ATOM 0 HB THR A 62 -7.267 -7.386 -4.169 1.00 0.21 H new ATOM 0 HG1 THR A 62 -8.864 -7.462 -5.862 1.00 0.26 H new ATOM 0 HG21 THR A 62 -9.231 -8.878 -3.949 1.00 0.42 H new ATOM 0 HG22 THR A 62 -8.738 -8.221 -2.370 1.00 0.42 H new ATOM 0 HG23 THR A 62 -10.156 -7.549 -3.210 1.00 0.42 H new ATOM 911 N ILE A 63 -5.861 -4.878 -3.429 1.00 0.11 N ATOM 912 CA ILE A 63 -4.772 -3.994 -3.972 1.00 0.10 C ATOM 913 C ILE A 63 -3.647 -4.859 -4.538 1.00 0.10 C ATOM 914 O ILE A 63 -3.162 -5.768 -3.893 1.00 0.10 O ATOM 915 CB ILE A 63 -4.194 -3.139 -2.836 1.00 0.10 C ATOM 916 CG1 ILE A 63 -5.332 -2.418 -2.099 1.00 0.10 C ATOM 917 CG2 ILE A 63 -3.189 -2.116 -3.394 1.00 0.11 C ATOM 918 CD1 ILE A 63 -4.791 -1.758 -0.828 1.00 0.12 C ATOM 0 H ILE A 63 -5.549 -5.567 -2.744 1.00 0.11 H new ATOM 0 HA ILE A 63 -5.187 -3.357 -4.752 1.00 0.10 H new ATOM 0 HB ILE A 63 -3.671 -3.789 -2.135 1.00 0.10 H new ATOM 0 HG12 ILE A 63 -5.779 -1.665 -2.749 1.00 0.10 H new ATOM 0 HG13 ILE A 63 -6.119 -3.127 -1.844 1.00 0.10 H new ATOM 0 HG21 ILE A 63 -2.788 -1.517 -2.577 1.00 0.11 H new ATOM 0 HG22 ILE A 63 -2.374 -2.641 -3.893 1.00 0.11 H new ATOM 0 HG23 ILE A 63 -3.692 -1.464 -4.108 1.00 0.11 H new ATOM 0 HD11 ILE A 63 -5.603 -1.248 -0.309 1.00 0.12 H new ATOM 0 HD12 ILE A 63 -4.365 -2.520 -0.175 1.00 0.12 H new ATOM 0 HD13 ILE A 63 -4.019 -1.035 -1.093 1.00 0.12 H new ATOM 930 N ASP A 64 -3.208 -4.554 -5.735 1.00 0.09 N ATOM 931 CA ASP A 64 -2.084 -5.319 -6.355 1.00 0.09 C ATOM 932 C ASP A 64 -0.802 -4.499 -6.165 1.00 0.09 C ATOM 933 O ASP A 64 -0.848 -3.351 -5.769 1.00 0.11 O ATOM 934 CB ASP A 64 -2.368 -5.562 -7.847 1.00 0.11 C ATOM 935 CG ASP A 64 -2.491 -4.224 -8.579 1.00 0.16 C ATOM 936 OD1 ASP A 64 -2.168 -3.211 -7.983 1.00 0.11 O ATOM 937 OD2 ASP A 64 -2.906 -4.236 -9.727 1.00 0.37 O ATOM 0 H ASP A 64 -3.584 -3.802 -6.312 1.00 0.09 H new ATOM 0 HA ASP A 64 -1.973 -6.295 -5.882 1.00 0.09 H new ATOM 0 HB2 ASP A 64 -1.566 -6.155 -8.287 1.00 0.11 H new ATOM 0 HB3 ASP A 64 -3.288 -6.135 -7.962 1.00 0.11 H new ATOM 942 N PHE A 65 0.342 -5.089 -6.384 1.00 0.07 N ATOM 943 CA PHE A 65 1.623 -4.353 -6.149 1.00 0.07 C ATOM 944 C PHE A 65 1.724 -3.016 -6.927 1.00 0.10 C ATOM 945 O PHE A 65 2.056 -2.011 -6.332 1.00 0.12 O ATOM 946 CB PHE A 65 2.825 -5.265 -6.465 1.00 0.06 C ATOM 947 CG PHE A 65 4.125 -4.611 -6.021 1.00 0.05 C ATOM 948 CD1 PHE A 65 4.326 -4.251 -4.674 1.00 1.89 C ATOM 949 CD2 PHE A 65 5.142 -4.374 -6.959 1.00 1.80 C ATOM 950 CE1 PHE A 65 5.531 -3.659 -4.280 1.00 1.87 C ATOM 951 CE2 PHE A 65 6.345 -3.784 -6.559 1.00 1.81 C ATOM 952 CZ PHE A 65 6.540 -3.427 -5.221 1.00 0.04 C ATOM 0 H PHE A 65 0.448 -6.048 -6.715 1.00 0.07 H new ATOM 0 HA PHE A 65 1.637 -4.083 -5.093 1.00 0.07 H new ATOM 0 HB2 PHE A 65 2.703 -6.224 -5.961 1.00 0.06 H new ATOM 0 HB3 PHE A 65 2.862 -5.470 -7.535 1.00 0.06 H new ATOM 0 HD1 PHE A 65 3.550 -4.432 -3.945 1.00 1.89 H new ATOM 0 HD2 PHE A 65 4.995 -4.648 -7.993 1.00 1.80 H new ATOM 0 HE1 PHE A 65 5.683 -3.381 -3.248 1.00 1.87 H new ATOM 0 HE2 PHE A 65 7.125 -3.604 -7.284 1.00 1.81 H new ATOM 0 HZ PHE A 65 7.470 -2.972 -4.914 1.00 0.04 H new ATOM 962 N PRO A 66 1.471 -2.959 -8.222 1.00 0.13 N ATOM 963 CA PRO A 66 1.588 -1.665 -8.980 1.00 0.16 C ATOM 964 C PRO A 66 0.647 -0.583 -8.429 1.00 0.17 C ATOM 965 O PRO A 66 1.028 0.563 -8.302 1.00 0.22 O ATOM 966 CB PRO A 66 1.222 -2.046 -10.429 1.00 0.18 C ATOM 967 CG PRO A 66 0.460 -3.329 -10.313 1.00 0.16 C ATOM 968 CD PRO A 66 1.051 -4.062 -9.111 1.00 0.14 C ATOM 0 HA PRO A 66 2.585 -1.232 -8.897 1.00 0.16 H new ATOM 0 HB2 PRO A 66 0.619 -1.270 -10.900 1.00 0.18 H new ATOM 0 HB3 PRO A 66 2.115 -2.172 -11.041 1.00 0.18 H new ATOM 0 HG2 PRO A 66 -0.604 -3.139 -10.170 1.00 0.16 H new ATOM 0 HG3 PRO A 66 0.558 -3.925 -11.220 1.00 0.16 H new ATOM 0 HD2 PRO A 66 0.316 -4.709 -8.632 1.00 0.14 H new ATOM 0 HD3 PRO A 66 1.893 -4.693 -9.397 1.00 0.14 H new ATOM 976 N GLU A 67 -0.562 -0.930 -8.061 1.00 0.15 N ATOM 977 CA GLU A 67 -1.463 0.109 -7.484 1.00 0.16 C ATOM 978 C GLU A 67 -0.851 0.551 -6.153 1.00 0.15 C ATOM 979 O GLU A 67 -0.888 1.713 -5.802 1.00 0.17 O ATOM 980 CB GLU A 67 -2.875 -0.443 -7.265 1.00 0.18 C ATOM 981 CG GLU A 67 -3.535 -0.706 -8.618 1.00 0.26 C ATOM 982 CD GLU A 67 -4.840 -1.473 -8.405 1.00 0.34 C ATOM 983 OE1 GLU A 67 -4.996 -2.054 -7.343 1.00 0.17 O ATOM 984 OE2 GLU A 67 -5.662 -1.467 -9.306 1.00 0.60 O ATOM 0 H GLU A 67 -0.956 -1.868 -8.134 1.00 0.15 H new ATOM 0 HA GLU A 67 -1.553 0.951 -8.170 1.00 0.16 H new ATOM 0 HB2 GLU A 67 -2.831 -1.365 -6.685 1.00 0.18 H new ATOM 0 HB3 GLU A 67 -3.470 0.267 -6.690 1.00 0.18 H new ATOM 0 HG2 GLU A 67 -3.733 0.237 -9.128 1.00 0.26 H new ATOM 0 HG3 GLU A 67 -2.864 -1.279 -9.257 1.00 0.26 H new ATOM 991 N PHE A 68 -0.269 -0.358 -5.418 1.00 0.12 N ATOM 992 CA PHE A 68 0.362 0.029 -4.127 1.00 0.13 C ATOM 993 C PHE A 68 1.553 0.948 -4.405 1.00 0.13 C ATOM 994 O PHE A 68 1.815 1.890 -3.684 1.00 0.16 O ATOM 995 CB PHE A 68 0.818 -1.235 -3.379 1.00 0.11 C ATOM 996 CG PHE A 68 1.480 -0.853 -2.082 1.00 0.10 C ATOM 997 CD1 PHE A 68 0.712 -0.712 -0.924 1.00 0.09 C ATOM 998 CD2 PHE A 68 2.862 -0.640 -2.040 1.00 0.11 C ATOM 999 CE1 PHE A 68 1.330 -0.354 0.283 1.00 0.09 C ATOM 1000 CE2 PHE A 68 3.478 -0.285 -0.836 1.00 0.11 C ATOM 1001 CZ PHE A 68 2.711 -0.142 0.325 1.00 0.10 C ATOM 0 H PHE A 68 -0.204 -1.348 -5.656 1.00 0.12 H new ATOM 0 HA PHE A 68 -0.358 0.561 -3.505 1.00 0.13 H new ATOM 0 HB2 PHE A 68 -0.038 -1.881 -3.184 1.00 0.11 H new ATOM 0 HB3 PHE A 68 1.512 -1.804 -3.998 1.00 0.11 H new ATOM 0 HD1 PHE A 68 -0.355 -0.878 -0.958 1.00 0.09 H new ATOM 0 HD2 PHE A 68 3.453 -0.750 -2.937 1.00 0.11 H new ATOM 0 HE1 PHE A 68 0.739 -0.242 1.180 1.00 0.09 H new ATOM 0 HE2 PHE A 68 4.545 -0.121 -0.802 1.00 0.11 H new ATOM 0 HZ PHE A 68 3.186 0.133 1.255 1.00 0.10 H new ATOM 1011 N LEU A 69 2.282 0.661 -5.463 1.00 0.11 N ATOM 1012 CA LEU A 69 3.463 1.498 -5.804 1.00 0.12 C ATOM 1013 C LEU A 69 3.001 2.913 -6.192 1.00 0.15 C ATOM 1014 O LEU A 69 3.627 3.894 -5.844 1.00 0.17 O ATOM 1015 CB LEU A 69 4.259 0.873 -6.969 1.00 0.07 C ATOM 1016 CG LEU A 69 5.199 -0.238 -6.470 1.00 0.15 C ATOM 1017 CD1 LEU A 69 5.904 -0.871 -7.683 1.00 0.17 C ATOM 1018 CD2 LEU A 69 6.251 0.334 -5.492 1.00 0.24 C ATOM 0 H LEU A 69 2.104 -0.117 -6.098 1.00 0.11 H new ATOM 0 HA LEU A 69 4.113 1.552 -4.931 1.00 0.12 H new ATOM 0 HB2 LEU A 69 3.568 0.464 -7.706 1.00 0.07 H new ATOM 0 HB3 LEU A 69 4.840 1.646 -7.471 1.00 0.07 H new ATOM 0 HG LEU A 69 4.616 -0.991 -5.939 1.00 0.15 H new ATOM 0 HD11 LEU A 69 6.574 -1.661 -7.343 1.00 0.17 H new ATOM 0 HD12 LEU A 69 5.159 -1.293 -8.358 1.00 0.17 H new ATOM 0 HD13 LEU A 69 6.479 -0.109 -8.208 1.00 0.17 H new ATOM 0 HD21 LEU A 69 6.905 -0.468 -5.151 1.00 0.24 H new ATOM 0 HD22 LEU A 69 6.844 1.095 -6.000 1.00 0.24 H new ATOM 0 HD23 LEU A 69 5.746 0.779 -4.635 1.00 0.24 H new ATOM 1030 N THR A 70 1.915 3.025 -6.922 1.00 0.18 N ATOM 1031 CA THR A 70 1.434 4.373 -7.335 1.00 0.23 C ATOM 1032 C THR A 70 0.969 5.142 -6.095 1.00 0.26 C ATOM 1033 O THR A 70 1.209 6.327 -5.972 1.00 0.26 O ATOM 1034 CB THR A 70 0.285 4.238 -8.349 1.00 0.22 C ATOM 1035 OG1 THR A 70 0.792 3.684 -9.554 1.00 0.23 O ATOM 1036 CG2 THR A 70 -0.308 5.617 -8.635 1.00 0.22 C ATOM 0 H THR A 70 1.347 2.242 -7.246 1.00 0.18 H new ATOM 0 HA THR A 70 2.246 4.921 -7.813 1.00 0.23 H new ATOM 0 HB THR A 70 -0.490 3.589 -7.941 1.00 0.22 H new ATOM 0 HG1 THR A 70 0.064 3.594 -10.204 1.00 0.23 H new ATOM 0 HG21 THR A 70 -1.122 5.521 -9.353 1.00 0.22 H new ATOM 0 HG22 THR A 70 -0.690 6.048 -7.709 1.00 0.22 H new ATOM 0 HG23 THR A 70 0.464 6.267 -9.046 1.00 0.22 H new ATOM 1044 N MET A 71 0.328 4.487 -5.156 1.00 0.37 N ATOM 1045 CA MET A 71 -0.112 5.204 -3.922 1.00 0.42 C ATOM 1046 C MET A 71 1.142 5.658 -3.171 1.00 0.36 C ATOM 1047 O MET A 71 1.195 6.740 -2.623 1.00 0.30 O ATOM 1048 CB MET A 71 -0.953 4.285 -3.016 1.00 0.58 C ATOM 1049 CG MET A 71 -2.351 4.019 -3.639 1.00 0.43 C ATOM 1050 SD MET A 71 -3.646 4.347 -2.410 1.00 0.51 S ATOM 1051 CE MET A 71 -3.174 3.065 -1.221 1.00 0.41 C ATOM 0 H MET A 71 0.093 3.495 -5.192 1.00 0.37 H new ATOM 0 HA MET A 71 -0.733 6.056 -4.198 1.00 0.42 H new ATOM 0 HB2 MET A 71 -0.432 3.340 -2.866 1.00 0.58 H new ATOM 0 HB3 MET A 71 -1.070 4.744 -2.034 1.00 0.58 H new ATOM 0 HG2 MET A 71 -2.497 4.655 -4.512 1.00 0.43 H new ATOM 0 HG3 MET A 71 -2.416 2.986 -3.982 1.00 0.43 H new ATOM 0 HE1 MET A 71 -4.065 2.535 -0.884 1.00 0.41 H new ATOM 0 HE2 MET A 71 -2.491 2.361 -1.697 1.00 0.41 H new ATOM 0 HE3 MET A 71 -2.681 3.526 -0.365 1.00 0.41 H new ATOM 1061 N MET A 72 2.157 4.830 -3.147 1.00 0.39 N ATOM 1062 CA MET A 72 3.416 5.199 -2.438 1.00 0.37 C ATOM 1063 C MET A 72 4.053 6.420 -3.107 1.00 0.30 C ATOM 1064 O MET A 72 4.491 7.349 -2.461 1.00 0.29 O ATOM 1065 CB MET A 72 4.391 4.022 -2.489 1.00 0.44 C ATOM 1066 CG MET A 72 3.901 2.912 -1.559 1.00 0.52 C ATOM 1067 SD MET A 72 4.134 3.420 0.164 1.00 2.02 S ATOM 1068 CE MET A 72 5.838 2.837 0.350 1.00 0.71 C ATOM 0 H MET A 72 2.165 3.911 -3.590 1.00 0.39 H new ATOM 0 HA MET A 72 3.186 5.440 -1.400 1.00 0.37 H new ATOM 0 HB2 MET A 72 4.471 3.647 -3.509 1.00 0.44 H new ATOM 0 HB3 MET A 72 5.387 4.348 -2.190 1.00 0.44 H new ATOM 0 HG2 MET A 72 2.848 2.703 -1.748 1.00 0.52 H new ATOM 0 HG3 MET A 72 4.449 1.991 -1.755 1.00 0.52 H new ATOM 0 HE1 MET A 72 6.219 3.132 1.328 1.00 0.71 H new ATOM 0 HE2 MET A 72 5.862 1.751 0.263 1.00 0.71 H new ATOM 0 HE3 MET A 72 6.460 3.277 -0.429 1.00 0.71 H new ATOM 1078 N ALA A 73 4.119 6.394 -4.411 1.00 0.27 N ATOM 1079 CA ALA A 73 4.744 7.521 -5.162 1.00 0.24 C ATOM 1080 C ALA A 73 3.973 8.828 -4.922 1.00 0.26 C ATOM 1081 O ALA A 73 4.555 9.889 -4.813 1.00 0.24 O ATOM 1082 CB ALA A 73 4.766 7.193 -6.664 1.00 0.24 C ATOM 0 H ALA A 73 3.764 5.635 -4.992 1.00 0.27 H new ATOM 0 HA ALA A 73 5.765 7.654 -4.805 1.00 0.24 H new ATOM 0 HB1 ALA A 73 5.223 8.018 -7.210 1.00 0.24 H new ATOM 0 HB2 ALA A 73 5.344 6.284 -6.829 1.00 0.24 H new ATOM 0 HB3 ALA A 73 3.746 7.044 -7.019 1.00 0.24 H new ATOM 1088 N ARG A 74 2.670 8.764 -4.847 1.00 0.33 N ATOM 1089 CA ARG A 74 1.871 10.007 -4.624 1.00 0.37 C ATOM 1090 C ARG A 74 2.113 10.522 -3.198 1.00 0.34 C ATOM 1091 O ARG A 74 2.111 11.710 -2.941 1.00 0.32 O ATOM 1092 CB ARG A 74 0.367 9.719 -4.826 1.00 0.47 C ATOM 1093 CG ARG A 74 -0.002 9.673 -6.335 1.00 0.18 C ATOM 1094 CD ARG A 74 -1.429 10.194 -6.539 1.00 0.14 C ATOM 1095 NE ARG A 74 -1.869 9.921 -7.937 1.00 1.36 N ATOM 1096 CZ ARG A 74 -3.135 9.999 -8.248 1.00 1.63 C ATOM 1097 NH1 ARG A 74 -4.011 10.321 -7.335 1.00 2.86 N ATOM 1098 NH2 ARG A 74 -3.524 9.756 -9.470 1.00 1.33 N ATOM 0 H ARG A 74 2.124 7.906 -4.930 1.00 0.33 H new ATOM 0 HA ARG A 74 2.183 10.764 -5.343 1.00 0.37 H new ATOM 0 HB2 ARG A 74 0.111 8.769 -4.358 1.00 0.47 H new ATOM 0 HB3 ARG A 74 -0.223 10.489 -4.329 1.00 0.47 H new ATOM 0 HG2 ARG A 74 0.701 10.277 -6.909 1.00 0.18 H new ATOM 0 HG3 ARG A 74 0.078 8.652 -6.707 1.00 0.18 H new ATOM 0 HD2 ARG A 74 -2.106 9.712 -5.834 1.00 0.14 H new ATOM 0 HD3 ARG A 74 -1.468 11.265 -6.338 1.00 0.14 H new ATOM 0 HE ARG A 74 -1.182 9.674 -8.650 1.00 1.36 H new ATOM 0 HH11 ARG A 74 -3.706 10.511 -6.380 1.00 2.86 H new ATOM 0 HH12 ARG A 74 -5.000 10.382 -7.576 1.00 2.86 H new ATOM 0 HH21 ARG A 74 -2.839 9.505 -10.183 1.00 1.33 H new ATOM 0 HH22 ARG A 74 -4.513 9.817 -9.712 1.00 1.33 H new ATOM 1112 N LYS A 75 2.297 9.619 -2.268 1.00 0.35 N ATOM 1113 CA LYS A 75 2.513 10.029 -0.850 1.00 0.35 C ATOM 1114 C LYS A 75 3.941 10.570 -0.665 1.00 0.28 C ATOM 1115 O LYS A 75 4.186 11.391 0.196 1.00 0.27 O ATOM 1116 CB LYS A 75 2.276 8.810 0.073 1.00 0.39 C ATOM 1117 CG LYS A 75 0.922 8.930 0.795 1.00 0.47 C ATOM 1118 CD LYS A 75 1.056 9.874 1.998 1.00 1.35 C ATOM 1119 CE LYS A 75 -0.259 9.898 2.781 1.00 1.96 C ATOM 1120 NZ LYS A 75 -0.266 11.068 3.706 1.00 2.75 N ATOM 0 H LYS A 75 2.307 8.612 -2.432 1.00 0.35 H new ATOM 0 HA LYS A 75 1.811 10.821 -0.590 1.00 0.35 H new ATOM 0 HB2 LYS A 75 2.300 7.892 -0.515 1.00 0.39 H new ATOM 0 HB3 LYS A 75 3.080 8.741 0.806 1.00 0.39 H new ATOM 0 HG2 LYS A 75 0.165 9.307 0.107 1.00 0.47 H new ATOM 0 HG3 LYS A 75 0.589 7.947 1.128 1.00 0.47 H new ATOM 0 HD2 LYS A 75 1.869 9.543 2.644 1.00 1.35 H new ATOM 0 HD3 LYS A 75 1.307 10.879 1.658 1.00 1.35 H new ATOM 0 HE2 LYS A 75 -1.103 9.959 2.094 1.00 1.96 H new ATOM 0 HE3 LYS A 75 -0.375 8.973 3.346 1.00 1.96 H new ATOM 0 HZ1 LYS A 75 -1.159 11.085 4.238 1.00 2.75 H new ATOM 0 HZ2 LYS A 75 0.531 10.991 4.370 1.00 2.75 H new ATOM 0 HZ3 LYS A 75 -0.174 11.946 3.156 1.00 2.75 H new ATOM 1134 N MET A 76 4.879 10.135 -1.453 1.00 0.29 N ATOM 1135 CA MET A 76 6.268 10.656 -1.291 1.00 0.29 C ATOM 1136 C MET A 76 6.332 12.106 -1.773 1.00 0.70 C ATOM 1137 O MET A 76 5.355 12.563 -2.344 1.00 1.39 O ATOM 1138 CB MET A 76 7.239 9.797 -2.104 1.00 0.91 C ATOM 1139 CG MET A 76 7.388 8.433 -1.429 1.00 1.10 C ATOM 1140 SD MET A 76 8.371 7.337 -2.483 1.00 1.88 S ATOM 1141 CE MET A 76 10.002 7.828 -1.873 1.00 1.00 C ATOM 0 H MET A 76 4.751 9.448 -2.196 1.00 0.29 H new ATOM 0 HA MET A 76 6.548 10.615 -0.238 1.00 0.29 H new ATOM 0 HB2 MET A 76 6.870 9.674 -3.122 1.00 0.91 H new ATOM 0 HB3 MET A 76 8.209 10.290 -2.174 1.00 0.91 H new ATOM 0 HG2 MET A 76 7.869 8.547 -0.458 1.00 1.10 H new ATOM 0 HG3 MET A 76 6.406 7.996 -1.249 1.00 1.10 H new ATOM 0 HE1 MET A 76 10.746 7.669 -2.654 1.00 1.00 H new ATOM 0 HE2 MET A 76 9.985 8.883 -1.598 1.00 1.00 H new ATOM 0 HE3 MET A 76 10.259 7.229 -0.999 1.00 1.00 H new