USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 608 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 15 THR OG1 : rot -100:sc= 0.734 USER MOD Set 1.2: A 72 HIS : no HD1:sc= -2.41! C(o=-1.7!,f=-8.2!) USER MOD Single : A 1 MET CE :methyl -161:sc= -1.02 (180deg=-1.46) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0115 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 120:sc= -0.295 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 175:sc= -0.554 (180deg=-0.639) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 54 CYS SG : rot -92:sc= -1.78 USER MOD Single : A 55 ASN : amide:sc= -0.0231 K(o=-0.023,f=-1.2) USER MOD Single : A 57 MET CE :methyl 166:sc= -0.532 (180deg=-0.644) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -175:sc= -0.967 (180deg=-1.02) USER MOD Single : A 64 ASN : amide:sc= -0.0109 K(o=-0.011,f=-1.5) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.843 -10.581 -4.371 1.00 0.00 N ATOM 2 CA MET A 1 -5.689 -9.324 -5.135 1.00 0.00 C ATOM 3 C MET A 1 -4.582 -8.470 -4.528 1.00 0.00 C ATOM 4 O MET A 1 -4.444 -8.395 -3.309 1.00 0.00 O ATOM 5 CB MET A 1 -7.012 -8.553 -5.147 1.00 0.00 C ATOM 6 CG MET A 1 -7.033 -7.380 -6.114 1.00 0.00 C ATOM 7 SD MET A 1 -8.646 -6.581 -6.194 1.00 0.00 S ATOM 8 CE MET A 1 -8.371 -5.397 -7.510 1.00 0.00 C ATOM 0 H1 MET A 1 -6.849 -10.739 -4.161 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.478 -11.376 -4.933 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.310 -10.513 -3.480 1.00 0.00 H new ATOM 0 HA MET A 1 -5.415 -9.566 -6.162 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.819 -9.239 -5.406 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.216 -8.186 -4.141 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.284 -6.649 -5.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.754 -7.728 -7.108 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.128 -4.615 -7.460 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.382 -4.952 -7.399 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.435 -5.903 -8.474 1.00 0.00 H new ATOM 20 N LYS A 2 -3.786 -7.837 -5.380 1.00 0.00 N ATOM 21 CA LYS A 2 -2.673 -7.017 -4.914 1.00 0.00 C ATOM 22 C LYS A 2 -3.071 -5.558 -4.792 1.00 0.00 C ATOM 23 O LYS A 2 -4.044 -5.115 -5.403 1.00 0.00 O ATOM 24 CB LYS A 2 -1.473 -7.124 -5.855 1.00 0.00 C ATOM 25 CG LYS A 2 -0.650 -8.389 -5.663 1.00 0.00 C ATOM 26 CD LYS A 2 -1.274 -9.602 -6.334 1.00 0.00 C ATOM 27 CE LYS A 2 -0.794 -9.749 -7.770 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.282 -11.008 -8.391 1.00 0.00 N ATOM 0 H LYS A 2 -3.889 -7.875 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.396 -7.396 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.827 -7.085 -6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.829 -6.257 -5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.351 -8.231 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.538 -8.586 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.023 -10.501 -5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.360 -9.510 -6.319 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.138 -8.897 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.296 -9.732 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.933 -11.071 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.933 -11.822 -7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.322 -11.014 -8.393 1.00 0.00 H new ATOM 42 N LEU A 3 -2.304 -4.819 -4.006 1.00 0.00 N ATOM 43 CA LEU A 3 -2.483 -3.381 -3.881 1.00 0.00 C ATOM 44 C LEU A 3 -2.170 -2.702 -5.213 1.00 0.00 C ATOM 45 O LEU A 3 -2.758 -1.678 -5.557 1.00 0.00 O ATOM 46 CB LEU A 3 -1.582 -2.838 -2.765 1.00 0.00 C ATOM 47 CG LEU A 3 -1.639 -1.327 -2.539 1.00 0.00 C ATOM 48 CD1 LEU A 3 -3.055 -0.877 -2.229 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.707 -0.926 -1.411 1.00 0.00 C ATOM 0 H LEU A 3 -1.544 -5.196 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.519 -3.166 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.850 -3.336 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.552 -3.114 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.316 -0.836 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.068 0.202 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.708 -1.130 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.407 -1.379 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.759 0.153 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.006 -1.434 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.315 -1.209 -1.665 1.00 0.00 H new ATOM 61 N SER A 4 -1.254 -3.297 -5.971 1.00 0.00 N ATOM 62 CA SER A 4 -0.892 -2.785 -7.286 1.00 0.00 C ATOM 63 C SER A 4 -1.960 -3.129 -8.324 1.00 0.00 C ATOM 64 O SER A 4 -1.932 -2.630 -9.449 1.00 0.00 O ATOM 65 CB SER A 4 0.454 -3.366 -7.714 1.00 0.00 C ATOM 66 OG SER A 4 0.410 -4.784 -7.733 1.00 0.00 O ATOM 0 H SER A 4 -0.747 -4.138 -5.694 1.00 0.00 H new ATOM 0 HA SER A 4 -0.817 -1.699 -7.222 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.718 -2.993 -8.704 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.233 -3.031 -7.029 1.00 0.00 H new ATOM 0 HG SER A 4 0.604 -5.105 -8.638 1.00 0.00 H new ATOM 72 N GLU A 5 -2.890 -4.001 -7.947 1.00 0.00 N ATOM 73 CA GLU A 5 -3.976 -4.391 -8.836 1.00 0.00 C ATOM 74 C GLU A 5 -5.160 -3.462 -8.641 1.00 0.00 C ATOM 75 O GLU A 5 -6.122 -3.487 -9.408 1.00 0.00 O ATOM 76 CB GLU A 5 -4.396 -5.840 -8.577 1.00 0.00 C ATOM 77 CG GLU A 5 -3.292 -6.852 -8.834 1.00 0.00 C ATOM 78 CD GLU A 5 -2.971 -7.026 -10.306 1.00 0.00 C ATOM 79 OE1 GLU A 5 -2.706 -6.021 -10.992 1.00 0.00 O ATOM 80 OE2 GLU A 5 -2.954 -8.179 -10.780 1.00 0.00 O ATOM 0 H GLU A 5 -2.912 -4.450 -7.032 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.626 -4.315 -9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.728 -5.933 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.251 -6.080 -9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.391 -6.538 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.587 -7.815 -8.417 1.00 0.00 H new ATOM 87 N LEU A 6 -5.085 -2.650 -7.598 1.00 0.00 N ATOM 88 CA LEU A 6 -6.124 -1.665 -7.324 1.00 0.00 C ATOM 89 C LEU A 6 -6.013 -0.480 -8.273 1.00 0.00 C ATOM 90 O LEU A 6 -5.053 -0.367 -9.038 1.00 0.00 O ATOM 91 CB LEU A 6 -6.042 -1.177 -5.880 1.00 0.00 C ATOM 92 CG LEU A 6 -6.401 -2.212 -4.819 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.278 -1.606 -3.434 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.808 -2.735 -5.046 1.00 0.00 C ATOM 0 H LEU A 6 -4.317 -2.652 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.088 -2.150 -7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.028 -0.824 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.705 -0.319 -5.766 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.706 -3.048 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.537 -2.354 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.253 -1.271 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.955 -0.756 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.050 -3.473 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.517 -1.909 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.869 -3.200 -6.030 1.00 0.00 H new ATOM 106 N LYS A 7 -7.001 0.398 -8.226 1.00 0.00 N ATOM 107 CA LYS A 7 -7.021 1.566 -9.089 1.00 0.00 C ATOM 108 C LYS A 7 -7.103 2.836 -8.256 1.00 0.00 C ATOM 109 O LYS A 7 -7.328 2.781 -7.048 1.00 0.00 O ATOM 110 CB LYS A 7 -8.208 1.496 -10.049 1.00 0.00 C ATOM 111 CG LYS A 7 -8.376 0.132 -10.688 1.00 0.00 C ATOM 112 CD LYS A 7 -9.447 0.140 -11.762 1.00 0.00 C ATOM 113 CE LYS A 7 -9.589 -1.229 -12.403 1.00 0.00 C ATOM 114 NZ LYS A 7 -10.672 -1.257 -13.418 1.00 0.00 N ATOM 0 H LYS A 7 -7.801 0.323 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.098 1.583 -9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.120 1.753 -9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.079 2.244 -10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.428 -0.185 -11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.635 -0.599 -9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.400 0.442 -11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.196 0.878 -12.524 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.646 -1.510 -12.871 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.795 -1.971 -11.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.736 -2.209 -13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.577 -1.014 -12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.463 -0.567 -14.168 1.00 0.00 H new ATOM 128 N ALA A 8 -6.919 3.977 -8.910 1.00 0.00 N ATOM 129 CA ALA A 8 -7.006 5.266 -8.239 1.00 0.00 C ATOM 130 C ALA A 8 -8.419 5.490 -7.719 1.00 0.00 C ATOM 131 O ALA A 8 -9.362 5.635 -8.500 1.00 0.00 O ATOM 132 CB ALA A 8 -6.595 6.391 -9.182 1.00 0.00 C ATOM 0 H ALA A 8 -6.708 4.034 -9.906 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.319 5.266 -7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.667 7.346 -8.662 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.568 6.233 -9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.256 6.399 -10.049 1.00 0.00 H new ATOM 138 N GLY A 9 -8.563 5.490 -6.404 1.00 0.00 N ATOM 139 CA GLY A 9 -9.867 5.649 -5.800 1.00 0.00 C ATOM 140 C GLY A 9 -10.366 4.369 -5.159 1.00 0.00 C ATOM 141 O GLY A 9 -11.316 4.391 -4.375 1.00 0.00 O ATOM 0 H GLY A 9 -7.795 5.382 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.822 6.436 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.579 5.974 -6.559 1.00 0.00 H new ATOM 145 N ASP A 10 -9.723 3.251 -5.479 1.00 0.00 N ATOM 146 CA ASP A 10 -10.122 1.957 -4.933 1.00 0.00 C ATOM 147 C ASP A 10 -9.701 1.824 -3.475 1.00 0.00 C ATOM 148 O ASP A 10 -8.567 2.137 -3.108 1.00 0.00 O ATOM 149 CB ASP A 10 -9.556 0.800 -5.768 1.00 0.00 C ATOM 150 CG ASP A 10 -10.548 0.297 -6.796 1.00 0.00 C ATOM 151 OD1 ASP A 10 -11.734 0.124 -6.445 1.00 0.00 O ATOM 152 OD2 ASP A 10 -10.150 0.063 -7.951 1.00 0.00 O ATOM 0 H ASP A 10 -8.924 3.214 -6.113 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.210 1.903 -4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.648 1.129 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.274 -0.019 -5.107 1.00 0.00 H new ATOM 157 N ARG A 11 -10.639 1.380 -2.648 1.00 0.00 N ATOM 158 CA ARG A 11 -10.413 1.229 -1.218 1.00 0.00 C ATOM 159 C ARG A 11 -10.218 -0.243 -0.885 1.00 0.00 C ATOM 160 O ARG A 11 -10.943 -1.095 -1.402 1.00 0.00 O ATOM 161 CB ARG A 11 -11.606 1.770 -0.417 1.00 0.00 C ATOM 162 CG ARG A 11 -12.000 3.205 -0.742 1.00 0.00 C ATOM 163 CD ARG A 11 -13.293 3.277 -1.550 1.00 0.00 C ATOM 164 NE ARG A 11 -13.098 2.897 -2.951 1.00 0.00 N ATOM 165 CZ ARG A 11 -13.874 2.040 -3.617 1.00 0.00 C ATOM 166 NH1 ARG A 11 -14.876 1.425 -3.006 1.00 0.00 N ATOM 167 NH2 ARG A 11 -13.636 1.788 -4.897 1.00 0.00 N ATOM 0 H ARG A 11 -11.576 1.115 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.521 1.796 -0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.466 1.124 -0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.371 1.705 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.121 3.766 0.185 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.196 3.683 -1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.037 2.621 -1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.691 4.291 -1.503 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.315 3.317 -3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.059 1.605 -2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.464 0.771 -3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.860 2.249 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.229 1.133 -5.407 1.00 0.00 H new ATOM 181 N ALA A 12 -9.264 -0.553 -0.020 1.00 0.00 N ATOM 182 CA ALA A 12 -9.002 -1.941 0.329 1.00 0.00 C ATOM 183 C ALA A 12 -8.407 -2.070 1.721 1.00 0.00 C ATOM 184 O ALA A 12 -7.920 -1.097 2.297 1.00 0.00 O ATOM 185 CB ALA A 12 -8.074 -2.575 -0.690 1.00 0.00 C ATOM 0 H ALA A 12 -8.665 0.128 0.448 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.958 -2.465 0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.887 -3.613 -0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.537 -2.538 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.130 -2.030 -0.711 1.00 0.00 H new ATOM 191 N GLU A 13 -8.465 -3.279 2.254 1.00 0.00 N ATOM 192 CA GLU A 13 -7.866 -3.587 3.538 1.00 0.00 C ATOM 193 C GLU A 13 -6.678 -4.516 3.328 1.00 0.00 C ATOM 194 O GLU A 13 -6.776 -5.504 2.596 1.00 0.00 O ATOM 195 CB GLU A 13 -8.896 -4.236 4.463 1.00 0.00 C ATOM 196 CG GLU A 13 -8.403 -4.461 5.882 1.00 0.00 C ATOM 197 CD GLU A 13 -9.505 -4.933 6.807 1.00 0.00 C ATOM 198 OE1 GLU A 13 -9.852 -6.132 6.770 1.00 0.00 O ATOM 199 OE2 GLU A 13 -10.028 -4.111 7.584 1.00 0.00 O ATOM 0 H GLU A 13 -8.928 -4.071 1.809 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.522 -2.665 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.786 -3.608 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.197 -5.194 4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.600 -5.198 5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.980 -3.534 6.268 1.00 0.00 H new ATOM 206 N VAL A 14 -5.563 -4.190 3.956 1.00 0.00 N ATOM 207 CA VAL A 14 -4.329 -4.935 3.771 1.00 0.00 C ATOM 208 C VAL A 14 -4.360 -6.254 4.532 1.00 0.00 C ATOM 209 O VAL A 14 -4.367 -6.275 5.763 1.00 0.00 O ATOM 210 CB VAL A 14 -3.106 -4.114 4.224 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.825 -4.906 4.034 1.00 0.00 C ATOM 212 CG2 VAL A 14 -3.040 -2.804 3.460 1.00 0.00 C ATOM 0 H VAL A 14 -5.486 -3.407 4.605 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.241 -5.143 2.705 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.214 -3.894 5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.975 -4.307 4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.872 -5.821 4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.707 -5.160 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.172 -2.234 3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.956 -3.009 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.945 -2.227 3.648 1.00 0.00 H new ATOM 222 N THR A 15 -4.370 -7.347 3.789 1.00 0.00 N ATOM 223 CA THR A 15 -4.416 -8.670 4.377 1.00 0.00 C ATOM 224 C THR A 15 -3.009 -9.210 4.632 1.00 0.00 C ATOM 225 O THR A 15 -2.800 -10.039 5.521 1.00 0.00 O ATOM 226 CB THR A 15 -5.193 -9.629 3.462 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.698 -8.909 2.329 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.353 -10.253 4.214 1.00 0.00 C ATOM 0 H THR A 15 -4.347 -7.341 2.769 1.00 0.00 H new ATOM 0 HA THR A 15 -4.929 -8.596 5.336 1.00 0.00 H new ATOM 0 HB THR A 15 -4.518 -10.418 3.129 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.645 -8.701 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.894 -10.930 3.552 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.974 -10.809 5.071 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.026 -9.469 4.560 1.00 0.00 H new ATOM 236 N SER A 16 -2.046 -8.733 3.848 1.00 0.00 N ATOM 237 CA SER A 16 -0.651 -9.112 4.028 1.00 0.00 C ATOM 238 C SER A 16 0.260 -8.171 3.246 1.00 0.00 C ATOM 239 O SER A 16 -0.156 -7.583 2.249 1.00 0.00 O ATOM 240 CB SER A 16 -0.426 -10.555 3.569 1.00 0.00 C ATOM 241 OG SER A 16 0.896 -10.980 3.841 1.00 0.00 O ATOM 0 H SER A 16 -2.209 -8.081 3.080 1.00 0.00 H new ATOM 0 HA SER A 16 -0.409 -9.038 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.133 -11.214 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.623 -10.634 2.500 1.00 0.00 H new ATOM 0 HG SER A 16 1.011 -11.905 3.539 1.00 0.00 H new ATOM 247 N VAL A 17 1.500 -8.035 3.703 1.00 0.00 N ATOM 248 CA VAL A 17 2.478 -7.186 3.036 1.00 0.00 C ATOM 249 C VAL A 17 3.746 -7.978 2.749 1.00 0.00 C ATOM 250 O VAL A 17 4.484 -8.333 3.669 1.00 0.00 O ATOM 251 CB VAL A 17 2.851 -5.951 3.889 1.00 0.00 C ATOM 252 CG1 VAL A 17 3.828 -5.052 3.143 1.00 0.00 C ATOM 253 CG2 VAL A 17 1.611 -5.171 4.287 1.00 0.00 C ATOM 0 H VAL A 17 1.852 -8.505 4.537 1.00 0.00 H new ATOM 0 HA VAL A 17 2.022 -6.842 2.108 1.00 0.00 H new ATOM 0 HB VAL A 17 3.337 -6.307 4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.076 -4.190 3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.737 -5.610 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.372 -4.711 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.901 -4.308 4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.091 -4.833 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.950 -5.812 4.870 1.00 0.00 H new ATOM 263 N ALA A 18 3.993 -8.260 1.481 1.00 0.00 N ATOM 264 CA ALA A 18 5.205 -8.959 1.090 1.00 0.00 C ATOM 265 C ALA A 18 6.256 -7.960 0.627 1.00 0.00 C ATOM 266 O ALA A 18 6.181 -7.425 -0.478 1.00 0.00 O ATOM 267 CB ALA A 18 4.912 -9.987 0.004 1.00 0.00 C ATOM 0 H ALA A 18 3.374 -8.017 0.708 1.00 0.00 H new ATOM 0 HA ALA A 18 5.594 -9.495 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.835 -10.497 -0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.192 -10.715 0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.499 -9.485 -0.871 1.00 0.00 H new ATOM 273 N ALA A 19 7.218 -7.690 1.492 1.00 0.00 N ATOM 274 CA ALA A 19 8.275 -6.737 1.188 1.00 0.00 C ATOM 275 C ALA A 19 9.520 -7.054 1.994 1.00 0.00 C ATOM 276 O ALA A 19 9.505 -7.954 2.840 1.00 0.00 O ATOM 277 CB ALA A 19 7.816 -5.314 1.481 1.00 0.00 C ATOM 0 H ALA A 19 7.290 -8.119 2.415 1.00 0.00 H new ATOM 0 HA ALA A 19 8.510 -6.817 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.621 -4.617 1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.944 -5.080 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.555 -5.226 2.536 1.00 0.00 H new ATOM 283 N GLU A 20 10.586 -6.318 1.715 1.00 0.00 N ATOM 284 CA GLU A 20 11.824 -6.418 2.470 1.00 0.00 C ATOM 285 C GLU A 20 11.533 -6.131 3.942 1.00 0.00 C ATOM 286 O GLU A 20 10.707 -5.274 4.241 1.00 0.00 O ATOM 287 CB GLU A 20 12.815 -5.401 1.884 1.00 0.00 C ATOM 288 CG GLU A 20 14.243 -5.509 2.388 1.00 0.00 C ATOM 289 CD GLU A 20 14.483 -4.656 3.609 1.00 0.00 C ATOM 290 OE1 GLU A 20 14.167 -3.454 3.563 1.00 0.00 O ATOM 291 OE2 GLU A 20 14.969 -5.190 4.624 1.00 0.00 O ATOM 0 H GLU A 20 10.616 -5.635 0.958 1.00 0.00 H new ATOM 0 HA GLU A 20 12.256 -7.417 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.822 -5.512 0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.448 -4.398 2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.465 -6.550 2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.929 -5.209 1.596 1.00 0.00 H new ATOM 298 N PRO A 21 12.189 -6.851 4.873 1.00 0.00 N ATOM 299 CA PRO A 21 11.974 -6.690 6.313 1.00 0.00 C ATOM 300 C PRO A 21 11.910 -5.226 6.752 1.00 0.00 C ATOM 301 O PRO A 21 10.956 -4.816 7.423 1.00 0.00 O ATOM 302 CB PRO A 21 13.180 -7.389 6.957 1.00 0.00 C ATOM 303 CG PRO A 21 14.018 -7.919 5.835 1.00 0.00 C ATOM 304 CD PRO A 21 13.164 -7.908 4.598 1.00 0.00 C ATOM 0 HA PRO A 21 11.014 -7.112 6.611 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.750 -6.691 7.570 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.855 -8.197 7.613 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.906 -7.303 5.694 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.362 -8.929 6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.751 -7.692 3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.679 -8.870 4.435 1.00 0.00 H new ATOM 312 N ALA A 22 12.903 -4.442 6.355 1.00 0.00 N ATOM 313 CA ALA A 22 12.965 -3.041 6.746 1.00 0.00 C ATOM 314 C ALA A 22 11.876 -2.222 6.061 1.00 0.00 C ATOM 315 O ALA A 22 11.209 -1.413 6.708 1.00 0.00 O ATOM 316 CB ALA A 22 14.332 -2.460 6.439 1.00 0.00 C ATOM 0 H ALA A 22 13.675 -4.751 5.764 1.00 0.00 H new ATOM 0 HA ALA A 22 12.796 -2.992 7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.358 -1.412 6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.094 -3.013 6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.528 -2.536 5.369 1.00 0.00 H new ATOM 322 N VAL A 23 11.678 -2.445 4.763 1.00 0.00 N ATOM 323 CA VAL A 23 10.679 -1.699 4.009 1.00 0.00 C ATOM 324 C VAL A 23 9.281 -1.999 4.544 1.00 0.00 C ATOM 325 O VAL A 23 8.461 -1.096 4.732 1.00 0.00 O ATOM 326 CB VAL A 23 10.745 -2.045 2.505 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.589 -1.413 1.743 1.00 0.00 C ATOM 328 CG2 VAL A 23 12.071 -1.603 1.906 1.00 0.00 C ATOM 0 H VAL A 23 12.195 -3.133 4.216 1.00 0.00 H new ATOM 0 HA VAL A 23 10.892 -0.637 4.129 1.00 0.00 H new ATOM 0 HB VAL A 23 10.664 -3.128 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.663 -1.674 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.645 -1.782 2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.631 -0.329 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.094 -1.857 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.182 -0.525 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.889 -2.110 2.419 1.00 0.00 H new ATOM 338 N ARG A 24 9.040 -3.271 4.820 1.00 0.00 N ATOM 339 CA ARG A 24 7.759 -3.733 5.332 1.00 0.00 C ATOM 340 C ARG A 24 7.445 -3.085 6.675 1.00 0.00 C ATOM 341 O ARG A 24 6.382 -2.493 6.858 1.00 0.00 O ATOM 342 CB ARG A 24 7.796 -5.251 5.494 1.00 0.00 C ATOM 343 CG ARG A 24 6.457 -5.872 5.855 1.00 0.00 C ATOM 344 CD ARG A 24 6.615 -7.329 6.258 1.00 0.00 C ATOM 345 NE ARG A 24 7.442 -8.078 5.311 1.00 0.00 N ATOM 346 CZ ARG A 24 7.481 -9.410 5.243 1.00 0.00 C ATOM 347 NH1 ARG A 24 6.715 -10.146 6.044 1.00 0.00 N ATOM 348 NH2 ARG A 24 8.286 -9.999 4.370 1.00 0.00 N ATOM 0 H ARG A 24 9.728 -4.014 4.695 1.00 0.00 H new ATOM 0 HA ARG A 24 6.980 -3.453 4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.151 -5.696 4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.522 -5.505 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.003 -5.313 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.779 -5.799 5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.062 -7.383 7.250 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.632 -7.794 6.326 1.00 0.00 H new ATOM 0 HE ARG A 24 8.025 -7.549 4.663 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.094 -9.692 6.714 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.749 -11.164 5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.872 -9.434 3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.320 -11.017 4.314 1.00 0.00 H new ATOM 362 N ARG A 25 8.389 -3.177 7.605 1.00 0.00 N ATOM 363 CA ARG A 25 8.180 -2.656 8.946 1.00 0.00 C ATOM 364 C ARG A 25 8.199 -1.130 8.945 1.00 0.00 C ATOM 365 O ARG A 25 7.590 -0.498 9.806 1.00 0.00 O ATOM 366 CB ARG A 25 9.218 -3.226 9.918 1.00 0.00 C ATOM 367 CG ARG A 25 8.976 -2.838 11.370 1.00 0.00 C ATOM 368 CD ARG A 25 9.265 -3.991 12.321 1.00 0.00 C ATOM 369 NE ARG A 25 10.635 -4.487 12.200 1.00 0.00 N ATOM 370 CZ ARG A 25 11.279 -5.158 13.159 1.00 0.00 C ATOM 371 NH1 ARG A 25 10.669 -5.455 14.306 1.00 0.00 N ATOM 372 NH2 ARG A 25 12.528 -5.557 12.956 1.00 0.00 N ATOM 0 H ARG A 25 9.302 -3.606 7.454 1.00 0.00 H new ATOM 0 HA ARG A 25 7.195 -2.974 9.287 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.220 -4.313 9.837 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.209 -2.883 9.620 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.607 -1.987 11.628 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.942 -2.517 11.492 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.089 -3.665 13.346 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.568 -4.805 12.122 1.00 0.00 H new ATOM 0 HE ARG A 25 11.131 -4.309 11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.702 -5.170 14.458 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.170 -5.968 15.032 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.992 -5.351 12.071 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.024 -6.070 13.685 1.00 0.00 H new ATOM 386 N ARG A 26 8.887 -0.537 7.973 1.00 0.00 N ATOM 387 CA ARG A 26 8.863 0.905 7.809 1.00 0.00 C ATOM 388 C ARG A 26 7.455 1.354 7.444 1.00 0.00 C ATOM 389 O ARG A 26 6.929 2.306 8.017 1.00 0.00 O ATOM 390 CB ARG A 26 9.840 1.346 6.723 1.00 0.00 C ATOM 391 CG ARG A 26 9.969 2.852 6.624 1.00 0.00 C ATOM 392 CD ARG A 26 10.733 3.278 5.381 1.00 0.00 C ATOM 393 NE ARG A 26 10.915 4.729 5.330 1.00 0.00 N ATOM 394 CZ ARG A 26 10.370 5.524 4.408 1.00 0.00 C ATOM 395 NH1 ARG A 26 9.597 5.014 3.458 1.00 0.00 N ATOM 396 NH2 ARG A 26 10.603 6.831 4.444 1.00 0.00 N ATOM 0 H ARG A 26 9.463 -1.033 7.293 1.00 0.00 H new ATOM 0 HA ARG A 26 9.164 1.365 8.750 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.820 0.915 6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.511 0.950 5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.976 3.301 6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.478 3.231 7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.707 2.788 5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.196 2.947 4.492 1.00 0.00 H new ATOM 0 HE ARG A 26 11.497 5.161 6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.417 4.010 3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.182 5.626 2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.197 7.223 5.175 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.188 7.443 3.741 1.00 0.00 H new ATOM 410 N LEU A 27 6.850 0.651 6.491 1.00 0.00 N ATOM 411 CA LEU A 27 5.483 0.937 6.080 1.00 0.00 C ATOM 412 C LEU A 27 4.526 0.717 7.244 1.00 0.00 C ATOM 413 O LEU A 27 3.616 1.516 7.469 1.00 0.00 O ATOM 414 CB LEU A 27 5.077 0.056 4.892 1.00 0.00 C ATOM 415 CG LEU A 27 5.873 0.280 3.605 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.397 -0.668 2.514 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.756 1.728 3.153 1.00 0.00 C ATOM 0 H LEU A 27 7.287 -0.122 5.989 1.00 0.00 H new ATOM 0 HA LEU A 27 5.431 1.981 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.179 -0.989 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.021 0.226 4.680 1.00 0.00 H new ATOM 0 HG LEU A 27 6.924 0.069 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.974 -0.496 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.535 -1.698 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.341 -0.490 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.328 1.870 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.709 1.968 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.147 2.385 3.930 1.00 0.00 H new ATOM 429 N MET A 28 4.748 -0.359 7.996 1.00 0.00 N ATOM 430 CA MET A 28 3.921 -0.654 9.161 1.00 0.00 C ATOM 431 C MET A 28 4.055 0.443 10.210 1.00 0.00 C ATOM 432 O MET A 28 3.078 0.821 10.854 1.00 0.00 O ATOM 433 CB MET A 28 4.279 -2.013 9.772 1.00 0.00 C ATOM 434 CG MET A 28 3.973 -3.193 8.861 1.00 0.00 C ATOM 435 SD MET A 28 3.867 -4.759 9.752 1.00 0.00 S ATOM 436 CE MET A 28 5.458 -4.799 10.571 1.00 0.00 C ATOM 0 H MET A 28 5.490 -1.037 7.820 1.00 0.00 H new ATOM 0 HA MET A 28 2.885 -0.695 8.825 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.341 -2.022 10.019 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.733 -2.136 10.707 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.031 -3.011 8.343 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.748 -3.267 8.098 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.506 -5.665 11.231 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.250 -4.867 9.825 1.00 0.00 H new ATOM 0 HE3 MET A 28 5.589 -3.889 11.157 1.00 0.00 H new ATOM 446 N ASP A 29 5.266 0.962 10.361 1.00 0.00 N ATOM 447 CA ASP A 29 5.526 2.058 11.289 1.00 0.00 C ATOM 448 C ASP A 29 4.796 3.324 10.849 1.00 0.00 C ATOM 449 O ASP A 29 4.352 4.125 11.676 1.00 0.00 O ATOM 450 CB ASP A 29 7.028 2.323 11.384 1.00 0.00 C ATOM 451 CG ASP A 29 7.357 3.472 12.310 1.00 0.00 C ATOM 452 OD1 ASP A 29 7.154 3.328 13.533 1.00 0.00 O ATOM 453 OD2 ASP A 29 7.827 4.519 11.819 1.00 0.00 O ATOM 0 H ASP A 29 6.089 0.641 9.851 1.00 0.00 H new ATOM 0 HA ASP A 29 5.154 1.771 12.272 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.531 1.422 11.736 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.419 2.539 10.390 1.00 0.00 H new ATOM 458 N LEU A 30 4.672 3.496 9.539 1.00 0.00 N ATOM 459 CA LEU A 30 3.948 4.630 8.981 1.00 0.00 C ATOM 460 C LEU A 30 2.450 4.465 9.201 1.00 0.00 C ATOM 461 O LEU A 30 1.729 5.445 9.392 1.00 0.00 O ATOM 462 CB LEU A 30 4.245 4.771 7.485 1.00 0.00 C ATOM 463 CG LEU A 30 5.696 5.114 7.137 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.885 5.163 5.628 1.00 0.00 C ATOM 465 CD2 LEU A 30 6.094 6.439 7.766 1.00 0.00 C ATOM 0 H LEU A 30 5.065 2.863 8.842 1.00 0.00 H new ATOM 0 HA LEU A 30 4.281 5.534 9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.980 3.837 6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.597 5.545 7.074 1.00 0.00 H new ATOM 0 HG LEU A 30 6.341 4.333 7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.922 5.408 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.638 4.192 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.230 5.924 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.128 6.668 7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.444 7.229 7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.996 6.371 8.849 1.00 0.00 H new ATOM 477 N GLY A 31 1.988 3.224 9.167 1.00 0.00 N ATOM 478 CA GLY A 31 0.587 2.957 9.411 1.00 0.00 C ATOM 479 C GLY A 31 0.050 1.821 8.566 1.00 0.00 C ATOM 480 O GLY A 31 -1.111 1.438 8.702 1.00 0.00 O ATOM 0 H GLY A 31 2.557 2.399 8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.446 2.718 10.465 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.009 3.859 9.208 1.00 0.00 H new ATOM 484 N LEU A 32 0.888 1.284 7.692 1.00 0.00 N ATOM 485 CA LEU A 32 0.473 0.211 6.800 1.00 0.00 C ATOM 486 C LEU A 32 0.828 -1.141 7.411 1.00 0.00 C ATOM 487 O LEU A 32 1.879 -1.708 7.124 1.00 0.00 O ATOM 488 CB LEU A 32 1.138 0.385 5.425 1.00 0.00 C ATOM 489 CG LEU A 32 0.383 -0.211 4.229 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.019 0.251 2.928 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.366 -1.731 4.288 1.00 0.00 C ATOM 0 H LEU A 32 1.860 1.574 7.581 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.608 0.252 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.279 1.451 5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.130 -0.066 5.464 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.648 0.141 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.476 -0.177 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.980 1.339 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.058 -0.077 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.176 -2.122 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.389 -2.107 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.127 -2.054 5.205 1.00 0.00 H new ATOM 503 N VAL A 33 -0.042 -1.634 8.280 1.00 0.00 N ATOM 504 CA VAL A 33 0.161 -2.926 8.920 1.00 0.00 C ATOM 505 C VAL A 33 -0.841 -3.942 8.387 1.00 0.00 C ATOM 506 O VAL A 33 -1.691 -3.612 7.558 1.00 0.00 O ATOM 507 CB VAL A 33 0.015 -2.833 10.458 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.032 -1.869 11.046 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.394 -2.411 10.845 1.00 0.00 C ATOM 0 H VAL A 33 -0.899 -1.157 8.559 1.00 0.00 H new ATOM 0 HA VAL A 33 1.177 -3.246 8.687 1.00 0.00 H new ATOM 0 HB VAL A 33 0.205 -3.825 10.868 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.907 -1.823 12.128 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.039 -2.215 10.812 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.881 -0.877 10.621 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.471 -2.353 11.931 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.613 -1.435 10.413 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.109 -3.143 10.469 1.00 0.00 H new ATOM 519 N ARG A 34 -0.750 -5.173 8.863 1.00 0.00 N ATOM 520 CA ARG A 34 -1.717 -6.188 8.488 1.00 0.00 C ATOM 521 C ARG A 34 -3.044 -5.896 9.176 1.00 0.00 C ATOM 522 O ARG A 34 -3.141 -5.946 10.403 1.00 0.00 O ATOM 523 CB ARG A 34 -1.219 -7.587 8.858 1.00 0.00 C ATOM 524 CG ARG A 34 -2.109 -8.699 8.328 1.00 0.00 C ATOM 525 CD ARG A 34 -1.539 -10.078 8.623 1.00 0.00 C ATOM 526 NE ARG A 34 -1.638 -10.443 10.037 1.00 0.00 N ATOM 527 CZ ARG A 34 -1.336 -11.654 10.511 1.00 0.00 C ATOM 528 NH1 ARG A 34 -0.828 -12.582 9.705 1.00 0.00 N ATOM 529 NH2 ARG A 34 -1.509 -11.926 11.798 1.00 0.00 N ATOM 0 H ARG A 34 -0.023 -5.490 9.504 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.854 -6.162 7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.210 -7.721 8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.155 -7.668 9.943 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.100 -8.614 8.774 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.233 -8.581 7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.066 -10.820 8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.493 -10.107 8.318 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.955 -9.733 10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.668 -12.370 8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.599 -13.506 10.072 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.873 -11.210 12.426 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.278 -12.852 12.159 1.00 0.00 H new ATOM 543 N GLY A 35 -4.056 -5.594 8.380 1.00 0.00 N ATOM 544 CA GLY A 35 -5.330 -5.179 8.923 1.00 0.00 C ATOM 545 C GLY A 35 -5.568 -3.694 8.734 1.00 0.00 C ATOM 546 O GLY A 35 -6.596 -3.164 9.155 1.00 0.00 O ATOM 0 H GLY A 35 -4.017 -5.629 7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.130 -5.739 8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.368 -5.421 9.985 1.00 0.00 H new ATOM 550 N ALA A 36 -4.609 -3.020 8.108 1.00 0.00 N ATOM 551 CA ALA A 36 -4.735 -1.597 7.828 1.00 0.00 C ATOM 552 C ALA A 36 -5.702 -1.358 6.677 1.00 0.00 C ATOM 553 O ALA A 36 -5.783 -2.159 5.748 1.00 0.00 O ATOM 554 CB ALA A 36 -3.376 -0.995 7.514 1.00 0.00 C ATOM 0 H ALA A 36 -3.736 -3.438 7.785 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.134 -1.108 8.717 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.489 0.069 7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.712 -1.130 8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.951 -1.491 6.642 1.00 0.00 H new ATOM 560 N LYS A 37 -6.431 -0.258 6.743 1.00 0.00 N ATOM 561 CA LYS A 37 -7.430 0.054 5.736 1.00 0.00 C ATOM 562 C LYS A 37 -7.018 1.309 4.981 1.00 0.00 C ATOM 563 O LYS A 37 -6.711 2.336 5.593 1.00 0.00 O ATOM 564 CB LYS A 37 -8.791 0.234 6.413 1.00 0.00 C ATOM 565 CG LYS A 37 -9.137 -0.928 7.328 1.00 0.00 C ATOM 566 CD LYS A 37 -10.426 -0.704 8.098 1.00 0.00 C ATOM 567 CE LYS A 37 -11.638 -0.682 7.185 1.00 0.00 C ATOM 568 NZ LYS A 37 -12.895 -0.856 7.954 1.00 0.00 N ATOM 0 H LYS A 37 -6.349 0.436 7.486 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.508 -0.763 5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.788 1.159 6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.563 0.336 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.227 -1.838 6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.320 -1.086 8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.546 -1.493 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.364 0.239 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.669 0.262 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.551 -1.475 6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.706 -0.837 7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.873 -1.768 8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.988 -0.085 8.646 1.00 0.00 H new ATOM 582 N LEU A 38 -6.991 1.231 3.657 1.00 0.00 N ATOM 583 CA LEU A 38 -6.470 2.328 2.857 1.00 0.00 C ATOM 584 C LEU A 38 -7.250 2.540 1.568 1.00 0.00 C ATOM 585 O LEU A 38 -8.093 1.727 1.180 1.00 0.00 O ATOM 586 CB LEU A 38 -4.982 2.092 2.543 1.00 0.00 C ATOM 587 CG LEU A 38 -4.604 0.699 2.011 1.00 0.00 C ATOM 588 CD1 LEU A 38 -5.084 0.488 0.581 1.00 0.00 C ATOM 589 CD2 LEU A 38 -3.098 0.499 2.097 1.00 0.00 C ATOM 0 H LEU A 38 -7.320 0.428 3.120 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.583 3.236 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.666 2.834 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.408 2.277 3.451 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.104 -0.041 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.797 -0.508 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.169 0.585 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.630 1.236 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.840 -0.490 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.595 1.259 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.778 0.584 3.136 1.00 0.00 H new ATOM 601 N LYS A 39 -6.949 3.653 0.917 1.00 0.00 N ATOM 602 CA LYS A 39 -7.461 3.949 -0.408 1.00 0.00 C ATOM 603 C LYS A 39 -6.308 4.375 -1.308 1.00 0.00 C ATOM 604 O LYS A 39 -5.479 5.203 -0.912 1.00 0.00 O ATOM 605 CB LYS A 39 -8.509 5.067 -0.358 1.00 0.00 C ATOM 606 CG LYS A 39 -9.108 5.390 -1.718 1.00 0.00 C ATOM 607 CD LYS A 39 -9.948 6.660 -1.690 1.00 0.00 C ATOM 608 CE LYS A 39 -9.100 7.898 -1.433 1.00 0.00 C ATOM 609 NZ LYS A 39 -9.886 9.153 -1.574 1.00 0.00 N ATOM 0 H LYS A 39 -6.340 4.378 1.296 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.936 3.051 -0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.308 4.776 0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.051 5.967 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.307 5.502 -2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.726 4.555 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.471 6.770 -2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.709 6.574 -0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.678 7.846 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.263 7.915 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.270 9.971 -1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.268 9.217 -2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.670 9.150 -0.891 1.00 0.00 H new ATOM 623 N VAL A 40 -6.241 3.804 -2.502 1.00 0.00 N ATOM 624 CA VAL A 40 -5.228 4.197 -3.470 1.00 0.00 C ATOM 625 C VAL A 40 -5.524 5.602 -3.978 1.00 0.00 C ATOM 626 O VAL A 40 -6.588 5.854 -4.544 1.00 0.00 O ATOM 627 CB VAL A 40 -5.163 3.223 -4.663 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.068 3.636 -5.638 1.00 0.00 C ATOM 629 CG2 VAL A 40 -4.940 1.798 -4.179 1.00 0.00 C ATOM 0 H VAL A 40 -6.873 3.070 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.262 4.174 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.118 3.262 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.040 2.935 -6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.274 4.638 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.105 3.631 -5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.897 1.125 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.001 1.744 -3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.762 1.503 -3.527 1.00 0.00 H new ATOM 639 N LEU A 41 -4.590 6.514 -3.762 1.00 0.00 N ATOM 640 CA LEU A 41 -4.786 7.899 -4.144 1.00 0.00 C ATOM 641 C LEU A 41 -4.501 8.089 -5.625 1.00 0.00 C ATOM 642 O LEU A 41 -5.402 8.406 -6.403 1.00 0.00 O ATOM 643 CB LEU A 41 -3.888 8.816 -3.314 1.00 0.00 C ATOM 644 CG LEU A 41 -4.123 8.770 -1.803 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.114 9.652 -1.090 1.00 0.00 C ATOM 646 CD2 LEU A 41 -5.545 9.203 -1.473 1.00 0.00 C ATOM 0 H LEU A 41 -3.690 6.318 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.826 8.162 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.848 8.554 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.029 9.841 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.991 7.745 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.291 9.612 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.106 9.299 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.220 10.680 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.696 9.165 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.706 10.222 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.252 8.533 -1.962 1.00 0.00 H new ATOM 658 N ARG A 42 -3.252 7.870 -6.014 1.00 0.00 N ATOM 659 CA ARG A 42 -2.830 8.104 -7.383 1.00 0.00 C ATOM 660 C ARG A 42 -1.683 7.189 -7.765 1.00 0.00 C ATOM 661 O ARG A 42 -0.904 6.744 -6.917 1.00 0.00 O ATOM 662 CB ARG A 42 -2.386 9.559 -7.579 1.00 0.00 C ATOM 663 CG ARG A 42 -3.527 10.552 -7.715 1.00 0.00 C ATOM 664 CD ARG A 42 -4.363 10.265 -8.951 1.00 0.00 C ATOM 665 NE ARG A 42 -5.461 11.215 -9.107 1.00 0.00 N ATOM 666 CZ ARG A 42 -6.395 11.127 -10.049 1.00 0.00 C ATOM 667 NH1 ARG A 42 -6.375 10.121 -10.921 1.00 0.00 N ATOM 668 NH2 ARG A 42 -7.344 12.051 -10.126 1.00 0.00 N ATOM 0 H ARG A 42 -2.514 7.530 -5.397 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.688 7.895 -8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.764 9.853 -6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.761 9.618 -8.470 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.158 10.508 -6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.127 11.564 -7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.726 10.300 -9.835 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.766 9.254 -8.889 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.515 11.995 -8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.641 9.414 -10.868 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.093 10.057 -11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.356 12.826 -9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.062 11.986 -10.848 1.00 0.00 H new ATOM 682 N PHE A 43 -1.606 6.903 -9.048 1.00 0.00 N ATOM 683 CA PHE A 43 -0.448 6.262 -9.628 1.00 0.00 C ATOM 684 C PHE A 43 0.299 7.301 -10.439 1.00 0.00 C ATOM 685 O PHE A 43 -0.317 8.027 -11.228 1.00 0.00 O ATOM 686 CB PHE A 43 -0.852 5.099 -10.543 1.00 0.00 C ATOM 687 CG PHE A 43 -1.582 3.982 -9.855 1.00 0.00 C ATOM 688 CD1 PHE A 43 -2.963 4.001 -9.744 1.00 0.00 C ATOM 689 CD2 PHE A 43 -0.886 2.907 -9.326 1.00 0.00 C ATOM 690 CE1 PHE A 43 -3.636 2.968 -9.119 1.00 0.00 C ATOM 691 CE2 PHE A 43 -1.553 1.872 -8.698 1.00 0.00 C ATOM 692 CZ PHE A 43 -2.929 1.903 -8.593 1.00 0.00 C ATOM 0 H PHE A 43 -2.347 7.110 -9.718 1.00 0.00 H new ATOM 0 HA PHE A 43 0.176 5.857 -8.831 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.481 5.487 -11.344 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.046 4.694 -11.011 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.520 4.832 -10.150 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.191 2.877 -9.405 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.713 2.993 -9.042 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.998 1.040 -8.290 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.452 1.097 -8.101 1.00 0.00 H new ATOM 702 N ALA A 44 1.605 7.395 -10.236 1.00 0.00 N ATOM 703 CA ALA A 44 2.421 8.338 -10.987 1.00 0.00 C ATOM 704 C ALA A 44 2.280 8.081 -12.488 1.00 0.00 C ATOM 705 O ALA A 44 1.902 6.981 -12.893 1.00 0.00 O ATOM 706 CB ALA A 44 3.877 8.229 -10.555 1.00 0.00 C ATOM 0 H ALA A 44 2.121 6.832 -9.560 1.00 0.00 H new ATOM 0 HA ALA A 44 2.075 9.351 -10.780 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.479 8.938 -11.123 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.959 8.453 -9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.237 7.217 -10.741 1.00 0.00 H new ATOM 712 N PRO A 45 2.595 9.078 -13.336 1.00 0.00 N ATOM 713 CA PRO A 45 2.468 8.967 -14.805 1.00 0.00 C ATOM 714 C PRO A 45 3.335 7.862 -15.420 1.00 0.00 C ATOM 715 O PRO A 45 3.412 7.731 -16.641 1.00 0.00 O ATOM 716 CB PRO A 45 2.929 10.339 -15.310 1.00 0.00 C ATOM 717 CG PRO A 45 3.727 10.913 -14.191 1.00 0.00 C ATOM 718 CD PRO A 45 3.083 10.409 -12.937 1.00 0.00 C ATOM 0 HA PRO A 45 1.449 8.700 -15.086 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.529 10.245 -16.215 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.079 10.975 -15.556 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.769 10.598 -14.251 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.721 12.002 -14.224 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.794 10.349 -12.113 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.270 11.057 -12.611 1.00 0.00 H new ATOM 726 N LEU A 46 3.973 7.069 -14.575 1.00 0.00 N ATOM 727 CA LEU A 46 4.853 6.002 -15.026 1.00 0.00 C ATOM 728 C LEU A 46 4.532 4.708 -14.283 1.00 0.00 C ATOM 729 O LEU A 46 5.307 3.751 -14.315 1.00 0.00 O ATOM 730 CB LEU A 46 6.313 6.392 -14.773 1.00 0.00 C ATOM 731 CG LEU A 46 6.768 7.696 -15.433 1.00 0.00 C ATOM 732 CD1 LEU A 46 8.194 8.033 -15.026 1.00 0.00 C ATOM 733 CD2 LEU A 46 6.662 7.592 -16.945 1.00 0.00 C ATOM 0 H LEU A 46 3.896 7.146 -13.561 1.00 0.00 H new ATOM 0 HA LEU A 46 4.700 5.846 -16.094 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.468 6.476 -13.697 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.954 5.584 -15.125 1.00 0.00 H new ATOM 0 HG LEU A 46 6.113 8.498 -15.093 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.499 8.963 -15.505 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.246 8.149 -13.943 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.861 7.229 -15.337 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.989 8.528 -17.398 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.294 6.777 -17.299 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.627 7.396 -17.225 1.00 0.00 H new ATOM 745 N GLY A 47 3.384 4.691 -13.608 1.00 0.00 N ATOM 746 CA GLY A 47 2.963 3.512 -12.868 1.00 0.00 C ATOM 747 C GLY A 47 3.807 3.272 -11.632 1.00 0.00 C ATOM 748 O GLY A 47 3.758 2.198 -11.036 1.00 0.00 O ATOM 0 H GLY A 47 2.735 5.477 -13.561 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.919 3.624 -12.575 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.020 2.639 -13.518 1.00 0.00 H new ATOM 752 N ASP A 48 4.571 4.287 -11.252 1.00 0.00 N ATOM 753 CA ASP A 48 5.499 4.204 -10.131 1.00 0.00 C ATOM 754 C ASP A 48 6.115 5.574 -9.884 1.00 0.00 C ATOM 755 O ASP A 48 6.548 6.234 -10.830 1.00 0.00 O ATOM 756 CB ASP A 48 6.602 3.178 -10.422 1.00 0.00 C ATOM 757 CG ASP A 48 7.724 3.207 -9.404 1.00 0.00 C ATOM 758 OD1 ASP A 48 7.609 2.540 -8.357 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.735 3.893 -9.653 1.00 0.00 O ATOM 0 H ASP A 48 4.565 5.196 -11.715 1.00 0.00 H new ATOM 0 HA ASP A 48 4.956 3.882 -9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.165 2.180 -10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.014 3.367 -11.413 1.00 0.00 H new ATOM 764 N PRO A 49 6.155 6.033 -8.624 1.00 0.00 N ATOM 765 CA PRO A 49 5.667 5.273 -7.468 1.00 0.00 C ATOM 766 C PRO A 49 4.144 5.333 -7.307 1.00 0.00 C ATOM 767 O PRO A 49 3.436 5.888 -8.154 1.00 0.00 O ATOM 768 CB PRO A 49 6.369 5.961 -6.297 1.00 0.00 C ATOM 769 CG PRO A 49 6.526 7.377 -6.731 1.00 0.00 C ATOM 770 CD PRO A 49 6.695 7.347 -8.228 1.00 0.00 C ATOM 0 HA PRO A 49 5.881 4.208 -7.556 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.778 5.890 -5.384 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.335 5.501 -6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.654 7.968 -6.450 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.390 7.837 -6.252 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.152 8.162 -8.707 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.742 7.450 -8.513 1.00 0.00 H new ATOM 778 N ILE A 50 3.653 4.743 -6.226 1.00 0.00 N ATOM 779 CA ILE A 50 2.223 4.700 -5.948 1.00 0.00 C ATOM 780 C ILE A 50 1.928 5.374 -4.614 1.00 0.00 C ATOM 781 O ILE A 50 2.632 5.157 -3.624 1.00 0.00 O ATOM 782 CB ILE A 50 1.707 3.244 -5.921 1.00 0.00 C ATOM 783 CG1 ILE A 50 2.090 2.522 -7.217 1.00 0.00 C ATOM 784 CG2 ILE A 50 0.200 3.215 -5.720 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.703 1.060 -7.242 1.00 0.00 C ATOM 0 H ILE A 50 4.229 4.283 -5.521 1.00 0.00 H new ATOM 0 HA ILE A 50 1.708 5.235 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 50 2.174 2.726 -5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.614 3.028 -8.057 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.167 2.605 -7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.145 2.181 -5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.050 3.696 -4.774 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.286 3.747 -6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.007 0.619 -8.191 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.199 0.538 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.623 0.968 -7.129 1.00 0.00 H new ATOM 797 N GLU A 51 0.897 6.201 -4.601 1.00 0.00 N ATOM 798 CA GLU A 51 0.524 6.945 -3.409 1.00 0.00 C ATOM 799 C GLU A 51 -0.800 6.433 -2.855 1.00 0.00 C ATOM 800 O GLU A 51 -1.803 6.389 -3.568 1.00 0.00 O ATOM 801 CB GLU A 51 0.412 8.432 -3.744 1.00 0.00 C ATOM 802 CG GLU A 51 1.622 8.978 -4.485 1.00 0.00 C ATOM 803 CD GLU A 51 1.445 10.423 -4.892 1.00 0.00 C ATOM 804 OE1 GLU A 51 0.665 10.690 -5.827 1.00 0.00 O ATOM 805 OE2 GLU A 51 2.073 11.304 -4.268 1.00 0.00 O ATOM 0 H GLU A 51 0.299 6.375 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 51 1.294 6.804 -2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.479 8.594 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.276 8.995 -2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.504 8.887 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.804 8.373 -5.373 1.00 0.00 H new ATOM 812 N VAL A 52 -0.804 6.044 -1.588 1.00 0.00 N ATOM 813 CA VAL A 52 -2.010 5.525 -0.951 1.00 0.00 C ATOM 814 C VAL A 52 -2.242 6.187 0.404 1.00 0.00 C ATOM 815 O VAL A 52 -1.294 6.538 1.102 1.00 0.00 O ATOM 816 CB VAL A 52 -1.951 3.990 -0.761 1.00 0.00 C ATOM 817 CG1 VAL A 52 -1.920 3.278 -2.104 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.744 3.593 0.075 1.00 0.00 C ATOM 0 H VAL A 52 0.014 6.077 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.839 5.760 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.853 3.685 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.879 2.201 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.819 3.527 -2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.040 3.596 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.725 2.510 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.168 3.919 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.809 4.065 1.055 1.00 0.00 H new ATOM 828 N ASN A 53 -3.502 6.369 0.763 1.00 0.00 N ATOM 829 CA ASN A 53 -3.852 6.927 2.063 1.00 0.00 C ATOM 830 C ASN A 53 -4.195 5.798 3.021 1.00 0.00 C ATOM 831 O ASN A 53 -5.268 5.203 2.924 1.00 0.00 O ATOM 832 CB ASN A 53 -5.040 7.886 1.943 1.00 0.00 C ATOM 833 CG ASN A 53 -5.434 8.501 3.277 1.00 0.00 C ATOM 834 OD1 ASN A 53 -4.597 8.703 4.154 1.00 0.00 O ATOM 835 ND2 ASN A 53 -6.716 8.785 3.440 1.00 0.00 N ATOM 0 H ASN A 53 -4.302 6.139 0.173 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.998 7.487 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.790 8.681 1.240 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.894 7.350 1.528 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.042 9.187 4.319 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.379 8.602 2.687 1.00 0.00 H new ATOM 842 N CYS A 54 -3.281 5.493 3.928 1.00 0.00 N ATOM 843 CA CYS A 54 -3.453 4.368 4.831 1.00 0.00 C ATOM 844 C CYS A 54 -3.724 4.846 6.250 1.00 0.00 C ATOM 845 O CYS A 54 -2.843 5.409 6.899 1.00 0.00 O ATOM 846 CB CYS A 54 -2.216 3.471 4.806 1.00 0.00 C ATOM 847 SG CYS A 54 -2.386 1.945 5.766 1.00 0.00 S ATOM 0 H CYS A 54 -2.411 6.010 4.058 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.314 3.792 4.493 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.989 3.213 3.772 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.365 4.034 5.188 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.942 2.139 6.972 1.00 0.00 H new ATOM 853 N ASN A 55 -4.955 4.631 6.714 1.00 0.00 N ATOM 854 CA ASN A 55 -5.356 4.985 8.078 1.00 0.00 C ATOM 855 C ASN A 55 -5.151 6.472 8.362 1.00 0.00 C ATOM 856 O ASN A 55 -4.935 6.869 9.503 1.00 0.00 O ATOM 857 CB ASN A 55 -4.587 4.137 9.104 1.00 0.00 C ATOM 858 CG ASN A 55 -5.082 2.703 9.165 1.00 0.00 C ATOM 859 OD1 ASN A 55 -6.267 2.432 8.971 1.00 0.00 O ATOM 860 ND2 ASN A 55 -4.176 1.771 9.431 1.00 0.00 N ATOM 0 H ASN A 55 -5.700 4.209 6.159 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.421 4.774 8.169 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.527 4.141 8.851 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.681 4.592 10.090 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.452 0.790 9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.203 2.035 9.586 1.00 0.00 H new ATOM 867 N GLY A 56 -5.242 7.292 7.325 1.00 0.00 N ATOM 868 CA GLY A 56 -5.112 8.728 7.499 1.00 0.00 C ATOM 869 C GLY A 56 -3.707 9.231 7.229 1.00 0.00 C ATOM 870 O GLY A 56 -3.457 10.438 7.263 1.00 0.00 O ATOM 0 H GLY A 56 -5.404 6.990 6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.808 9.234 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.398 8.993 8.517 1.00 0.00 H new ATOM 874 N MET A 57 -2.790 8.311 6.972 1.00 0.00 N ATOM 875 CA MET A 57 -1.423 8.667 6.621 1.00 0.00 C ATOM 876 C MET A 57 -1.186 8.428 5.138 1.00 0.00 C ATOM 877 O MET A 57 -1.392 7.325 4.637 1.00 0.00 O ATOM 878 CB MET A 57 -0.406 7.874 7.454 1.00 0.00 C ATOM 879 CG MET A 57 -0.248 8.370 8.886 1.00 0.00 C ATOM 880 SD MET A 57 -1.672 7.999 9.932 1.00 0.00 S ATOM 881 CE MET A 57 -1.560 6.213 10.022 1.00 0.00 C ATOM 0 H MET A 57 -2.969 7.307 7.000 1.00 0.00 H new ATOM 0 HA MET A 57 -1.284 9.725 6.842 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.709 6.827 7.476 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.564 7.915 6.958 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.643 7.919 9.323 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.086 9.448 8.874 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.206 5.848 10.821 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.877 5.780 9.073 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.530 5.923 10.227 1.00 0.00 H new ATOM 891 N LEU A 58 -0.772 9.473 4.437 1.00 0.00 N ATOM 892 CA LEU A 58 -0.499 9.369 3.013 1.00 0.00 C ATOM 893 C LEU A 58 0.883 8.779 2.794 1.00 0.00 C ATOM 894 O LEU A 58 1.899 9.433 3.041 1.00 0.00 O ATOM 895 CB LEU A 58 -0.613 10.731 2.320 1.00 0.00 C ATOM 896 CG LEU A 58 -2.028 11.308 2.227 1.00 0.00 C ATOM 897 CD1 LEU A 58 -2.506 11.819 3.578 1.00 0.00 C ATOM 898 CD2 LEU A 58 -2.075 12.419 1.194 1.00 0.00 C ATOM 0 H LEU A 58 -0.618 10.401 4.831 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.246 8.710 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.017 11.444 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.209 10.641 1.311 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.699 10.507 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.514 12.222 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.513 10.999 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.835 12.603 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.087 12.821 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.385 13.212 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.787 12.023 0.220 1.00 0.00 H new ATOM 910 N LEU A 59 0.914 7.540 2.341 1.00 0.00 N ATOM 911 CA LEU A 59 2.159 6.818 2.186 1.00 0.00 C ATOM 912 C LEU A 59 2.518 6.728 0.710 1.00 0.00 C ATOM 913 O LEU A 59 1.640 6.732 -0.154 1.00 0.00 O ATOM 914 CB LEU A 59 2.050 5.402 2.766 1.00 0.00 C ATOM 915 CG LEU A 59 1.223 5.252 4.053 1.00 0.00 C ATOM 916 CD1 LEU A 59 1.330 3.833 4.587 1.00 0.00 C ATOM 917 CD2 LEU A 59 1.651 6.248 5.123 1.00 0.00 C ATOM 0 H LEU A 59 0.084 7.011 2.073 1.00 0.00 H new ATOM 0 HA LEU A 59 2.936 7.358 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.617 4.753 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.057 5.035 2.963 1.00 0.00 H new ATOM 0 HG LEU A 59 0.184 5.465 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.739 3.742 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.955 3.134 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.373 3.604 4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.041 6.108 6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.700 6.087 5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.518 7.263 4.749 1.00 0.00 H new ATOM 929 N THR A 60 3.802 6.662 0.426 1.00 0.00 N ATOM 930 CA THR A 60 4.271 6.508 -0.939 1.00 0.00 C ATOM 931 C THR A 60 5.350 5.435 -1.018 1.00 0.00 C ATOM 932 O THR A 60 6.393 5.531 -0.368 1.00 0.00 O ATOM 933 CB THR A 60 4.812 7.839 -1.489 1.00 0.00 C ATOM 934 OG1 THR A 60 3.811 8.856 -1.343 1.00 0.00 O ATOM 935 CG2 THR A 60 5.196 7.706 -2.957 1.00 0.00 C ATOM 0 H THR A 60 4.544 6.713 1.124 1.00 0.00 H new ATOM 0 HA THR A 60 3.423 6.200 -1.550 1.00 0.00 H new ATOM 0 HB THR A 60 5.704 8.111 -0.925 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.154 9.705 -1.691 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.575 8.661 -3.322 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.968 6.944 -3.064 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.320 7.418 -3.538 1.00 0.00 H new ATOM 943 N MET A 61 5.082 4.411 -1.809 1.00 0.00 N ATOM 944 CA MET A 61 6.016 3.314 -1.997 1.00 0.00 C ATOM 945 C MET A 61 6.184 3.025 -3.479 1.00 0.00 C ATOM 946 O MET A 61 5.553 3.676 -4.315 1.00 0.00 O ATOM 947 CB MET A 61 5.547 2.065 -1.234 1.00 0.00 C ATOM 948 CG MET A 61 4.044 1.818 -1.291 1.00 0.00 C ATOM 949 SD MET A 61 3.434 1.465 -2.950 1.00 0.00 S ATOM 950 CE MET A 61 1.672 1.408 -2.649 1.00 0.00 C ATOM 0 H MET A 61 4.215 4.316 -2.337 1.00 0.00 H new ATOM 0 HA MET A 61 6.986 3.601 -1.592 1.00 0.00 H new ATOM 0 HB2 MET A 61 6.061 1.193 -1.638 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.848 2.158 -0.191 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.796 0.982 -0.636 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.525 2.694 -0.901 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.156 1.111 -3.562 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.461 0.685 -1.861 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.324 2.394 -2.340 1.00 0.00 H new ATOM 960 N ARG A 62 7.026 2.062 -3.813 1.00 0.00 N ATOM 961 CA ARG A 62 7.292 1.765 -5.208 1.00 0.00 C ATOM 962 C ARG A 62 6.299 0.734 -5.721 1.00 0.00 C ATOM 963 O ARG A 62 5.704 -0.005 -4.936 1.00 0.00 O ATOM 964 CB ARG A 62 8.724 1.258 -5.404 1.00 0.00 C ATOM 965 CG ARG A 62 9.791 2.093 -4.708 1.00 0.00 C ATOM 966 CD ARG A 62 9.647 3.586 -4.992 1.00 0.00 C ATOM 967 NE ARG A 62 9.747 3.918 -6.416 1.00 0.00 N ATOM 968 CZ ARG A 62 10.474 4.932 -6.893 1.00 0.00 C ATOM 969 NH1 ARG A 62 11.277 5.622 -6.092 1.00 0.00 N ATOM 970 NH2 ARG A 62 10.420 5.231 -8.180 1.00 0.00 N ATOM 0 H ARG A 62 7.531 1.479 -3.146 1.00 0.00 H new ATOM 0 HA ARG A 62 7.179 2.688 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.786 0.233 -5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.943 1.229 -6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.735 1.925 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.777 1.759 -5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.685 3.930 -4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.418 4.129 -4.445 1.00 0.00 H new ATOM 0 HE ARG A 62 9.232 3.341 -7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.343 5.379 -5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.828 6.395 -6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.824 4.688 -8.805 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.974 6.005 -8.548 1.00 0.00 H new ATOM 984 N ARG A 63 6.135 0.687 -7.037 1.00 0.00 N ATOM 985 CA ARG A 63 5.195 -0.231 -7.677 1.00 0.00 C ATOM 986 C ARG A 63 5.425 -1.673 -7.227 1.00 0.00 C ATOM 987 O ARG A 63 4.473 -2.413 -6.968 1.00 0.00 O ATOM 988 CB ARG A 63 5.319 -0.131 -9.198 1.00 0.00 C ATOM 989 CG ARG A 63 4.446 -1.118 -9.954 1.00 0.00 C ATOM 990 CD ARG A 63 4.683 -1.028 -11.451 1.00 0.00 C ATOM 991 NE ARG A 63 3.993 -2.085 -12.184 1.00 0.00 N ATOM 992 CZ ARG A 63 4.483 -2.666 -13.279 1.00 0.00 C ATOM 993 NH1 ARG A 63 5.668 -2.300 -13.758 1.00 0.00 N ATOM 994 NH2 ARG A 63 3.794 -3.620 -13.886 1.00 0.00 N ATOM 0 H ARG A 63 6.646 1.280 -7.690 1.00 0.00 H new ATOM 0 HA ARG A 63 4.188 0.057 -7.375 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.058 0.881 -9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.360 -0.292 -9.479 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.656 -2.131 -9.610 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.396 -0.919 -9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.345 -0.057 -11.813 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.753 -1.088 -11.652 1.00 0.00 H new ATOM 0 HE ARG A 63 3.085 -2.396 -11.839 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.206 -1.572 -13.287 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.039 -2.747 -14.596 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.889 -3.910 -13.516 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.168 -4.065 -14.724 1.00 0.00 H new ATOM 1008 N ASN A 64 6.690 -2.054 -7.110 1.00 0.00 N ATOM 1009 CA ASN A 64 7.049 -3.418 -6.737 1.00 0.00 C ATOM 1010 C ASN A 64 6.573 -3.748 -5.322 1.00 0.00 C ATOM 1011 O ASN A 64 6.249 -4.897 -5.021 1.00 0.00 O ATOM 1012 CB ASN A 64 8.564 -3.624 -6.844 1.00 0.00 C ATOM 1013 CG ASN A 64 9.335 -2.867 -5.783 1.00 0.00 C ATOM 1014 OD1 ASN A 64 9.679 -1.700 -5.959 1.00 0.00 O ATOM 1015 ND2 ASN A 64 9.621 -3.529 -4.674 1.00 0.00 N ATOM 0 H ASN A 64 7.487 -1.437 -7.268 1.00 0.00 H new ATOM 0 HA ASN A 64 6.550 -4.094 -7.431 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.788 -4.687 -6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.901 -3.304 -7.830 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.145 -3.072 -3.928 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.318 -4.497 -4.565 1.00 0.00 H new ATOM 1022 N GLU A 65 6.520 -2.737 -4.461 1.00 0.00 N ATOM 1023 CA GLU A 65 6.098 -2.942 -3.083 1.00 0.00 C ATOM 1024 C GLU A 65 4.603 -3.225 -3.033 1.00 0.00 C ATOM 1025 O GLU A 65 4.147 -4.085 -2.283 1.00 0.00 O ATOM 1026 CB GLU A 65 6.428 -1.727 -2.217 1.00 0.00 C ATOM 1027 CG GLU A 65 7.902 -1.356 -2.222 1.00 0.00 C ATOM 1028 CD GLU A 65 8.815 -2.498 -1.815 1.00 0.00 C ATOM 1029 OE1 GLU A 65 8.340 -3.461 -1.179 1.00 0.00 O ATOM 1030 OE2 GLU A 65 10.019 -2.440 -2.148 1.00 0.00 O ATOM 0 H GLU A 65 6.763 -1.774 -4.692 1.00 0.00 H new ATOM 0 HA GLU A 65 6.642 -3.799 -2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.846 -0.874 -2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.116 -1.927 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.180 -1.017 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.060 -0.516 -1.545 1.00 0.00 H new ATOM 1037 N ALA A 66 3.853 -2.511 -3.865 1.00 0.00 N ATOM 1038 CA ALA A 66 2.409 -2.683 -3.937 1.00 0.00 C ATOM 1039 C ALA A 66 2.051 -4.061 -4.485 1.00 0.00 C ATOM 1040 O ALA A 66 0.980 -4.595 -4.191 1.00 0.00 O ATOM 1041 CB ALA A 66 1.794 -1.593 -4.796 1.00 0.00 C ATOM 0 H ALA A 66 4.224 -1.805 -4.501 1.00 0.00 H new ATOM 0 HA ALA A 66 2.004 -2.606 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.714 -1.732 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.016 -0.618 -4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.210 -1.645 -5.802 1.00 0.00 H new ATOM 1047 N GLU A 67 2.948 -4.621 -5.292 1.00 0.00 N ATOM 1048 CA GLU A 67 2.781 -5.984 -5.787 1.00 0.00 C ATOM 1049 C GLU A 67 2.857 -6.979 -4.641 1.00 0.00 C ATOM 1050 O GLU A 67 2.156 -7.988 -4.630 1.00 0.00 O ATOM 1051 CB GLU A 67 3.854 -6.327 -6.815 1.00 0.00 C ATOM 1052 CG GLU A 67 3.815 -5.467 -8.059 1.00 0.00 C ATOM 1053 CD GLU A 67 4.863 -5.882 -9.064 1.00 0.00 C ATOM 1054 OE1 GLU A 67 6.052 -5.550 -8.864 1.00 0.00 O ATOM 1055 OE2 GLU A 67 4.509 -6.559 -10.047 1.00 0.00 O ATOM 0 H GLU A 67 3.795 -4.154 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 67 1.801 -6.045 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.834 -6.228 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.743 -7.372 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.828 -5.534 -8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.969 -4.424 -7.784 1.00 0.00 H new ATOM 1062 N GLY A 68 3.746 -6.704 -3.699 1.00 0.00 N ATOM 1063 CA GLY A 68 3.880 -7.548 -2.530 1.00 0.00 C ATOM 1064 C GLY A 68 2.667 -7.484 -1.625 1.00 0.00 C ATOM 1065 O GLY A 68 2.269 -8.486 -1.030 1.00 0.00 O ATOM 0 H GLY A 68 4.381 -5.906 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.039 -8.579 -2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.764 -7.247 -1.968 1.00 0.00 H new ATOM 1069 N ILE A 69 2.078 -6.304 -1.525 1.00 0.00 N ATOM 1070 CA ILE A 69 0.963 -6.080 -0.621 1.00 0.00 C ATOM 1071 C ILE A 69 -0.321 -6.707 -1.161 1.00 0.00 C ATOM 1072 O ILE A 69 -0.785 -6.371 -2.253 1.00 0.00 O ATOM 1073 CB ILE A 69 0.738 -4.574 -0.379 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.045 -3.908 0.061 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.345 -4.365 0.674 1.00 0.00 C ATOM 1076 CD1 ILE A 69 1.966 -2.399 0.117 1.00 0.00 C ATOM 0 H ILE A 69 2.356 -5.482 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 69 1.216 -6.557 0.326 1.00 0.00 H new ATOM 0 HB ILE A 69 0.410 -4.114 -1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.322 -4.286 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.840 -4.197 -0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.494 -3.297 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.277 -4.814 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.039 -4.834 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.927 -1.996 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.720 -2.011 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.194 -2.101 0.827 1.00 0.00 H new ATOM 1088 N THR A 70 -0.878 -7.621 -0.388 1.00 0.00 N ATOM 1089 CA THR A 70 -2.124 -8.279 -0.738 1.00 0.00 C ATOM 1090 C THR A 70 -3.270 -7.645 0.043 1.00 0.00 C ATOM 1091 O THR A 70 -3.185 -7.495 1.263 1.00 0.00 O ATOM 1092 CB THR A 70 -2.045 -9.783 -0.426 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.831 -10.317 -0.969 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.237 -10.531 -1.009 1.00 0.00 C ATOM 0 H THR A 70 -0.480 -7.928 0.500 1.00 0.00 H new ATOM 0 HA THR A 70 -2.301 -8.157 -1.807 1.00 0.00 H new ATOM 0 HB THR A 70 -2.060 -9.911 0.656 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.777 -11.275 -0.770 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.152 -11.592 -0.772 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.159 -10.136 -0.582 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.254 -10.402 -2.091 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.325 -7.258 -0.660 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.437 -6.545 -0.042 1.00 0.00 C ATOM 1104 C VAL A 71 -6.777 -7.090 -0.522 1.00 0.00 C ATOM 1105 O VAL A 71 -6.857 -7.747 -1.562 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.395 -5.030 -0.359 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -4.112 -4.391 0.151 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.561 -4.794 -1.856 1.00 0.00 C ATOM 0 H VAL A 71 -4.436 -7.425 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.335 -6.695 1.033 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.227 -4.555 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.115 -3.328 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.046 -4.520 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.254 -4.867 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.529 -3.724 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.754 -5.291 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.519 -5.198 -2.184 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.819 -6.818 0.242 1.00 0.00 N ATOM 1119 CA HIS A 72 -9.180 -7.108 -0.183 1.00 0.00 C ATOM 1120 C HIS A 72 -9.990 -5.816 -0.212 1.00 0.00 C ATOM 1121 O HIS A 72 -9.955 -5.031 0.736 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.843 -8.162 0.720 1.00 0.00 C ATOM 1123 CG HIS A 72 -9.741 -7.889 2.193 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -8.668 -8.332 2.927 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -10.604 -7.246 3.018 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -8.898 -7.953 4.171 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -10.056 -7.294 4.275 1.00 0.00 N ATOM 0 H HIS A 72 -7.750 -6.394 1.167 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.149 -7.530 -1.188 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -10.897 -8.238 0.452 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.391 -9.132 0.513 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.541 -6.786 2.740 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.234 -8.151 5.000 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.456 -6.901 5.127 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.688 -5.588 -1.316 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.420 -4.343 -1.527 1.00 0.00 C ATOM 1137 C ILE A 73 -12.507 -4.141 -0.472 1.00 0.00 C ATOM 1138 O ILE A 73 -13.279 -5.054 -0.169 1.00 0.00 O ATOM 1139 CB ILE A 73 -12.041 -4.301 -2.940 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.932 -4.279 -3.994 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.962 -3.093 -3.103 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -11.447 -4.234 -5.416 1.00 0.00 C ATOM 0 H ILE A 73 -10.764 -6.253 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.702 -3.529 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.645 -5.198 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.294 -3.412 -3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.308 -5.164 -3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.384 -3.090 -4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.768 -3.148 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.392 -2.177 -2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.605 -4.220 -6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.061 -5.114 -5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.047 -3.335 -5.557 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.554 -2.933 0.079 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.527 -2.588 1.102 1.00 0.00 C ATOM 1156 C LEU A 74 -14.891 -2.331 0.476 1.00 0.00 C ATOM 1157 O LEU A 74 -15.296 -1.185 0.279 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.062 -1.362 1.890 1.00 0.00 C ATOM 1159 CG LEU A 74 -11.808 -1.578 2.740 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -11.386 -0.283 3.407 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.055 -2.658 3.781 1.00 0.00 C ATOM 0 H LEU A 74 -11.922 -2.172 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.616 -3.429 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.872 -0.549 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.873 -1.038 2.542 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.000 -1.905 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.493 -0.457 4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.171 0.466 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.191 0.074 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.154 -2.801 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.877 -2.356 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.311 -3.593 3.282 1.00 0.00 H new