USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 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 35 THR OG1 : rot -66:sc= 0.193 USER MOD Set 1.2: A 37 ASN : amide:sc= 0.489 X(o=0.069,f=0.23) USER MOD Set 1.3: A 59 ASN : amide:sc= -0.612 K(o=0.069,f=1.2) USER MOD Single : A 1 SER N :NH3+ 162:sc= 0.00686 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00348 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.019) USER MOD Single : A 23 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.37) USER MOD Single : A 29 GLN : amide:sc= 0.684 K(o=0.68,f=0.016) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.467 USER MOD Single : A 54 THR OG1 : rot 156:sc= 0.397 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.66 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -152:sc= 1.2 (180deg=0.801) USER MOD Single : A 77 LYS NZ :NH3+ 175:sc= 0.929 (180deg=0.892) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.416 30.415 -12.153 1.00 0.00 N ATOM 2 CA SER A 1 5.600 31.228 -12.523 1.00 0.00 C ATOM 3 C SER A 1 6.053 32.146 -11.386 1.00 0.00 C ATOM 4 O SER A 1 7.110 31.902 -10.800 1.00 0.00 O ATOM 5 CB SER A 1 5.383 32.000 -13.830 1.00 0.00 C ATOM 6 OG SER A 1 5.006 31.090 -14.852 1.00 0.00 O ATOM 0 H1 SER A 1 3.964 30.048 -13.015 1.00 0.00 H new ATOM 0 H2 SER A 1 4.715 29.619 -11.553 1.00 0.00 H new ATOM 0 H3 SER A 1 3.738 31.006 -11.631 1.00 0.00 H new ATOM 0 HA SER A 1 6.414 30.526 -12.700 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.609 32.756 -13.696 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.296 32.525 -14.112 1.00 0.00 H new ATOM 0 HG SER A 1 4.864 31.579 -15.689 1.00 0.00 H new ATOM 14 N MET A 2 5.281 33.189 -11.043 1.00 0.00 N ATOM 15 CA MET A 2 5.579 34.135 -9.952 1.00 0.00 C ATOM 16 C MET A 2 4.300 34.671 -9.286 1.00 0.00 C ATOM 17 O MET A 2 3.254 34.775 -9.933 1.00 0.00 O ATOM 18 CB MET A 2 6.450 35.297 -10.475 1.00 0.00 C ATOM 19 CG MET A 2 5.766 36.151 -11.555 1.00 0.00 C ATOM 20 SD MET A 2 6.794 37.493 -12.210 1.00 0.00 S ATOM 21 CE MET A 2 5.651 38.159 -13.451 1.00 0.00 C ATOM 0 H MET A 2 4.410 33.405 -11.528 1.00 0.00 H new ATOM 0 HA MET A 2 6.134 33.591 -9.188 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.723 35.939 -9.637 1.00 0.00 H new ATOM 0 HB3 MET A 2 7.376 34.890 -10.880 1.00 0.00 H new ATOM 0 HG2 MET A 2 5.468 35.503 -12.379 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.853 36.578 -11.139 1.00 0.00 H new ATOM 0 HE1 MET A 2 6.118 39.002 -13.961 1.00 0.00 H new ATOM 0 HE2 MET A 2 5.410 37.383 -14.178 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.736 38.493 -12.961 1.00 0.00 H new ATOM 31 N ALA A 3 4.386 35.052 -8.006 1.00 0.00 N ATOM 32 CA ALA A 3 3.304 35.731 -7.284 1.00 0.00 C ATOM 33 C ALA A 3 3.282 37.254 -7.549 1.00 0.00 C ATOM 34 O ALA A 3 2.212 37.860 -7.635 1.00 0.00 O ATOM 35 CB ALA A 3 3.456 35.418 -5.791 1.00 0.00 C ATOM 0 H ALA A 3 5.218 34.896 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 3 2.345 35.360 -7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.661 35.913 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.391 34.341 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.424 35.777 -5.441 1.00 0.00 H new ATOM 41 N ASP A 4 4.461 37.863 -7.720 1.00 0.00 N ATOM 42 CA ASP A 4 4.673 39.287 -8.015 1.00 0.00 C ATOM 43 C ASP A 4 5.890 39.469 -8.939 1.00 0.00 C ATOM 44 O ASP A 4 6.937 38.858 -8.709 1.00 0.00 O ATOM 45 CB ASP A 4 4.901 40.070 -6.708 1.00 0.00 C ATOM 46 CG ASP A 4 3.622 40.239 -5.874 1.00 0.00 C ATOM 47 OD1 ASP A 4 2.777 41.097 -6.230 1.00 0.00 O ATOM 48 OD2 ASP A 4 3.477 39.553 -4.832 1.00 0.00 O ATOM 0 H ASP A 4 5.340 37.350 -7.653 1.00 0.00 H new ATOM 0 HA ASP A 4 3.784 39.670 -8.517 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.652 39.555 -6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.304 41.054 -6.947 1.00 0.00 H new ATOM 53 N ARG A 5 5.834 40.314 -9.975 1.00 0.00 N ATOM 54 CA ARG A 5 4.688 41.052 -10.548 1.00 0.00 C ATOM 55 C ARG A 5 4.932 41.379 -12.028 1.00 0.00 C ATOM 56 O ARG A 5 6.080 41.441 -12.473 1.00 0.00 O ATOM 57 CB ARG A 5 4.399 42.343 -9.748 1.00 0.00 C ATOM 58 CG ARG A 5 5.585 43.322 -9.671 1.00 0.00 C ATOM 59 CD ARG A 5 5.207 44.565 -8.855 1.00 0.00 C ATOM 60 NE ARG A 5 6.335 45.512 -8.762 1.00 0.00 N ATOM 61 CZ ARG A 5 6.336 46.678 -8.140 1.00 0.00 C ATOM 62 NH1 ARG A 5 5.285 47.134 -7.516 1.00 0.00 N ATOM 63 NH2 ARG A 5 7.405 47.420 -8.134 1.00 0.00 N ATOM 0 H ARG A 5 6.685 40.525 -10.496 1.00 0.00 H new ATOM 0 HA ARG A 5 3.811 40.408 -10.479 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.550 42.855 -10.201 1.00 0.00 H new ATOM 0 HB3 ARG A 5 4.103 42.070 -8.735 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.443 42.828 -9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.885 43.618 -10.676 1.00 0.00 H new ATOM 0 HD2 ARG A 5 4.352 45.059 -9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 5 4.899 44.265 -7.854 1.00 0.00 H new ATOM 0 HE ARG A 5 7.202 45.239 -9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.425 46.586 -7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.323 48.039 -7.047 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.249 47.103 -8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.399 48.319 -7.652 1.00 0.00 H new ATOM 77 N VAL A 6 3.858 41.620 -12.783 1.00 0.00 N ATOM 78 CA VAL A 6 3.909 42.068 -14.184 1.00 0.00 C ATOM 79 C VAL A 6 4.033 43.595 -14.226 1.00 0.00 C ATOM 80 O VAL A 6 3.300 44.315 -13.546 1.00 0.00 O ATOM 81 CB VAL A 6 2.699 41.550 -14.988 1.00 0.00 C ATOM 82 CG1 VAL A 6 2.750 42.006 -16.450 1.00 0.00 C ATOM 83 CG2 VAL A 6 2.669 40.014 -14.993 1.00 0.00 C ATOM 0 H VAL A 6 2.906 41.508 -12.434 1.00 0.00 H new ATOM 0 HA VAL A 6 4.790 41.643 -14.665 1.00 0.00 H new ATOM 0 HB VAL A 6 1.812 41.957 -14.503 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.880 41.620 -16.982 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.747 43.095 -16.492 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.659 41.627 -16.918 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.808 39.669 -15.565 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.583 39.634 -15.448 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.594 39.648 -13.969 1.00 0.00 H new ATOM 93 N LEU A 7 4.983 44.085 -15.024 1.00 0.00 N ATOM 94 CA LEU A 7 5.449 45.478 -15.048 1.00 0.00 C ATOM 95 C LEU A 7 4.662 46.434 -15.973 1.00 0.00 C ATOM 96 O LEU A 7 5.003 47.617 -16.058 1.00 0.00 O ATOM 97 CB LEU A 7 6.967 45.487 -15.336 1.00 0.00 C ATOM 98 CG LEU A 7 7.393 45.164 -16.786 1.00 0.00 C ATOM 99 CD1 LEU A 7 8.883 45.474 -16.952 1.00 0.00 C ATOM 100 CD2 LEU A 7 7.180 43.703 -17.198 1.00 0.00 C ATOM 0 H LEU A 7 5.471 43.499 -15.701 1.00 0.00 H new ATOM 0 HA LEU A 7 5.249 45.894 -14.061 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.358 46.471 -15.076 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.445 44.768 -14.671 1.00 0.00 H new ATOM 0 HG LEU A 7 6.758 45.779 -17.423 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.190 45.248 -17.973 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.060 46.529 -16.745 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.461 44.865 -16.256 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.505 43.565 -18.229 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.760 43.052 -16.544 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.123 43.452 -17.114 1.00 0.00 H new ATOM 112 N ARG A 8 3.635 45.939 -16.678 1.00 0.00 N ATOM 113 CA ARG A 8 2.838 46.685 -17.671 1.00 0.00 C ATOM 114 C ARG A 8 1.341 46.374 -17.537 1.00 0.00 C ATOM 115 O ARG A 8 0.968 45.217 -17.345 1.00 0.00 O ATOM 116 CB ARG A 8 3.371 46.347 -19.078 1.00 0.00 C ATOM 117 CG ARG A 8 2.856 47.300 -20.169 1.00 0.00 C ATOM 118 CD ARG A 8 3.318 46.834 -21.555 1.00 0.00 C ATOM 119 NE ARG A 8 2.816 47.718 -22.625 1.00 0.00 N ATOM 120 CZ ARG A 8 2.886 47.499 -23.926 1.00 0.00 C ATOM 121 NH1 ARG A 8 3.412 46.415 -24.427 1.00 0.00 N ATOM 122 NH2 ARG A 8 2.419 48.382 -24.755 1.00 0.00 N ATOM 0 H ARG A 8 3.323 44.974 -16.571 1.00 0.00 H new ATOM 0 HA ARG A 8 2.942 47.756 -17.495 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.460 46.378 -19.063 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.084 45.326 -19.332 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.767 47.342 -20.138 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.220 48.310 -19.979 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.407 46.808 -21.586 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.970 45.816 -21.731 1.00 0.00 H new ATOM 0 HE ARG A 8 2.370 48.586 -22.330 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.789 45.698 -23.808 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.446 46.285 -25.438 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.000 49.242 -24.401 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.472 48.216 -25.760 1.00 0.00 H new ATOM 136 N GLY A 9 0.491 47.393 -17.686 1.00 0.00 N ATOM 137 CA GLY A 9 -0.974 47.284 -17.603 1.00 0.00 C ATOM 138 C GLY A 9 -1.528 47.117 -16.178 1.00 0.00 C ATOM 139 O GLY A 9 -0.801 46.798 -15.233 1.00 0.00 O ATOM 0 H GLY A 9 0.808 48.344 -17.873 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.416 48.175 -18.048 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.296 46.434 -18.205 1.00 0.00 H new ATOM 143 N SER A 10 -2.838 47.330 -16.025 1.00 0.00 N ATOM 144 CA SER A 10 -3.531 47.331 -14.720 1.00 0.00 C ATOM 145 C SER A 10 -4.044 45.953 -14.273 1.00 0.00 C ATOM 146 O SER A 10 -4.309 45.758 -13.084 1.00 0.00 O ATOM 147 CB SER A 10 -4.703 48.322 -14.751 1.00 0.00 C ATOM 148 OG SER A 10 -4.256 49.620 -15.117 1.00 0.00 O ATOM 0 H SER A 10 -3.462 47.510 -16.812 1.00 0.00 H new ATOM 0 HA SER A 10 -2.781 47.632 -13.989 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.457 47.979 -15.460 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.180 48.359 -13.771 1.00 0.00 H new ATOM 0 HG SER A 10 -5.018 50.236 -15.133 1.00 0.00 H new ATOM 154 N ARG A 11 -4.222 45.002 -15.204 1.00 0.00 N ATOM 155 CA ARG A 11 -4.786 43.654 -14.947 1.00 0.00 C ATOM 156 C ARG A 11 -4.030 42.499 -15.628 1.00 0.00 C ATOM 157 O ARG A 11 -4.436 41.344 -15.503 1.00 0.00 O ATOM 158 CB ARG A 11 -6.289 43.633 -15.313 1.00 0.00 C ATOM 159 CG ARG A 11 -7.171 44.590 -14.492 1.00 0.00 C ATOM 160 CD ARG A 11 -7.320 44.140 -13.032 1.00 0.00 C ATOM 161 NE ARG A 11 -8.176 45.062 -12.260 1.00 0.00 N ATOM 162 CZ ARG A 11 -7.796 46.111 -11.550 1.00 0.00 C ATOM 163 NH1 ARG A 11 -6.555 46.504 -11.479 1.00 0.00 N ATOM 164 NH2 ARG A 11 -8.676 46.801 -10.883 1.00 0.00 N ATOM 0 H ARG A 11 -3.974 45.146 -16.183 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.660 43.473 -13.880 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.394 43.882 -16.369 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.664 42.618 -15.186 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.740 45.591 -14.519 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.157 44.656 -14.952 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.746 43.137 -13.002 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.336 44.082 -12.567 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.177 44.867 -12.276 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.829 45.996 -11.985 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.310 47.320 -10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.660 46.533 -10.908 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.382 47.610 -10.336 1.00 0.00 H new ATOM 178 N LEU A 12 -2.904 42.771 -16.296 1.00 0.00 N ATOM 179 CA LEU A 12 -2.124 41.762 -17.037 1.00 0.00 C ATOM 180 C LEU A 12 -1.495 40.683 -16.124 1.00 0.00 C ATOM 181 O LEU A 12 -1.202 39.579 -16.581 1.00 0.00 O ATOM 182 CB LEU A 12 -1.071 42.500 -17.889 1.00 0.00 C ATOM 183 CG LEU A 12 -0.344 41.637 -18.941 1.00 0.00 C ATOM 184 CD1 LEU A 12 -1.305 41.048 -19.976 1.00 0.00 C ATOM 185 CD2 LEU A 12 0.683 42.492 -19.685 1.00 0.00 C ATOM 0 H LEU A 12 -2.500 43.707 -16.341 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.798 41.203 -17.686 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.559 43.330 -18.400 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.326 42.931 -17.221 1.00 0.00 H new ATOM 0 HG LEU A 12 0.134 40.818 -18.404 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.744 40.449 -20.694 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.040 40.419 -19.474 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.817 41.856 -20.499 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.196 41.881 -20.428 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.176 43.319 -20.183 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.410 42.887 -18.975 1.00 0.00 H new ATOM 197 N GLY A 13 -1.352 40.960 -14.822 1.00 0.00 N ATOM 198 CA GLY A 13 -0.945 39.977 -13.806 1.00 0.00 C ATOM 199 C GLY A 13 -1.959 38.846 -13.553 1.00 0.00 C ATOM 200 O GLY A 13 -1.593 37.826 -12.965 1.00 0.00 O ATOM 0 H GLY A 13 -1.518 41.890 -14.437 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.003 39.533 -14.110 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.765 40.500 -12.867 1.00 0.00 H new ATOM 204 N ALA A 14 -3.207 38.983 -14.022 1.00 0.00 N ATOM 205 CA ALA A 14 -4.272 37.977 -13.916 1.00 0.00 C ATOM 206 C ALA A 14 -4.412 37.097 -15.182 1.00 0.00 C ATOM 207 O ALA A 14 -5.504 36.631 -15.516 1.00 0.00 O ATOM 208 CB ALA A 14 -5.570 38.687 -13.502 1.00 0.00 C ATOM 0 H ALA A 14 -3.513 39.829 -14.503 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.010 37.255 -13.142 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.374 37.956 -13.418 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.425 39.179 -12.540 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.834 39.431 -14.254 1.00 0.00 H new ATOM 214 N VAL A 15 -3.302 36.880 -15.897 1.00 0.00 N ATOM 215 CA VAL A 15 -3.217 36.119 -17.159 1.00 0.00 C ATOM 216 C VAL A 15 -2.213 34.969 -17.030 1.00 0.00 C ATOM 217 O VAL A 15 -1.113 35.146 -16.499 1.00 0.00 O ATOM 218 CB VAL A 15 -2.868 37.052 -18.339 1.00 0.00 C ATOM 219 CG1 VAL A 15 -2.686 36.300 -19.661 1.00 0.00 C ATOM 220 CG2 VAL A 15 -3.965 38.108 -18.538 1.00 0.00 C ATOM 0 H VAL A 15 -2.396 37.244 -15.603 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.194 35.681 -17.366 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.920 37.522 -18.075 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.442 37.009 -20.452 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.877 35.577 -19.560 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.609 35.778 -19.913 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.700 38.755 -19.374 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.913 37.613 -18.749 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.062 38.707 -17.632 1.00 0.00 H new ATOM 230 N SER A 16 -2.597 33.796 -17.542 1.00 0.00 N ATOM 231 CA SER A 16 -1.869 32.519 -17.393 1.00 0.00 C ATOM 232 C SER A 16 -1.669 31.779 -18.730 1.00 0.00 C ATOM 233 O SER A 16 -1.460 30.564 -18.760 1.00 0.00 O ATOM 234 CB SER A 16 -2.592 31.625 -16.371 1.00 0.00 C ATOM 235 OG SER A 16 -2.741 32.285 -15.120 1.00 0.00 O ATOM 0 H SER A 16 -3.451 33.699 -18.091 1.00 0.00 H new ATOM 0 HA SER A 16 -0.869 32.755 -17.028 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.573 31.348 -16.757 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.031 30.701 -16.232 1.00 0.00 H new ATOM 0 HG SER A 16 -3.205 31.694 -14.491 1.00 0.00 H new ATOM 241 N TYR A 17 -1.783 32.502 -19.848 1.00 0.00 N ATOM 242 CA TYR A 17 -1.854 31.982 -21.219 1.00 0.00 C ATOM 243 C TYR A 17 -1.240 32.970 -22.228 1.00 0.00 C ATOM 244 O TYR A 17 -1.082 34.159 -21.946 1.00 0.00 O ATOM 245 CB TYR A 17 -3.323 31.653 -21.561 1.00 0.00 C ATOM 246 CG TYR A 17 -4.335 32.701 -21.123 1.00 0.00 C ATOM 247 CD1 TYR A 17 -4.627 33.803 -21.951 1.00 0.00 C ATOM 248 CD2 TYR A 17 -4.947 32.590 -19.858 1.00 0.00 C ATOM 249 CE1 TYR A 17 -5.524 34.798 -21.511 1.00 0.00 C ATOM 250 CE2 TYR A 17 -5.825 33.592 -19.407 1.00 0.00 C ATOM 251 CZ TYR A 17 -6.119 34.696 -20.234 1.00 0.00 C ATOM 252 OH TYR A 17 -6.953 35.667 -19.776 1.00 0.00 O ATOM 0 H TYR A 17 -1.831 33.521 -19.821 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.265 31.068 -21.286 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.408 31.516 -22.639 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.584 30.702 -21.098 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.164 33.886 -22.923 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -4.741 31.733 -19.233 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -5.756 35.637 -22.150 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.274 33.516 -18.428 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.270 35.430 -18.880 1.00 0.00 H new ATOM 262 N GLU A 18 -0.891 32.481 -23.420 1.00 0.00 N ATOM 263 CA GLU A 18 -0.127 33.202 -24.457 1.00 0.00 C ATOM 264 C GLU A 18 -0.965 34.191 -25.305 1.00 0.00 C ATOM 265 O GLU A 18 -0.852 34.238 -26.531 1.00 0.00 O ATOM 266 CB GLU A 18 0.704 32.195 -25.282 1.00 0.00 C ATOM 267 CG GLU A 18 -0.118 31.118 -26.009 1.00 0.00 C ATOM 268 CD GLU A 18 0.807 30.166 -26.792 1.00 0.00 C ATOM 269 OE1 GLU A 18 1.105 30.436 -27.982 1.00 0.00 O ATOM 270 OE2 GLU A 18 1.243 29.133 -26.225 1.00 0.00 O ATOM 0 H GLU A 18 -1.140 31.534 -23.707 1.00 0.00 H new ATOM 0 HA GLU A 18 0.568 33.872 -23.951 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.287 32.746 -26.020 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.414 31.702 -24.618 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.705 30.551 -25.286 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.824 31.591 -26.692 1.00 0.00 H new ATOM 277 N THR A 19 -1.802 35.001 -24.642 1.00 0.00 N ATOM 278 CA THR A 19 -2.756 35.967 -25.232 1.00 0.00 C ATOM 279 C THR A 19 -3.747 35.303 -26.198 1.00 0.00 C ATOM 280 O THR A 19 -3.559 35.270 -27.414 1.00 0.00 O ATOM 281 CB THR A 19 -2.034 37.172 -25.871 1.00 0.00 C ATOM 282 OG1 THR A 19 -1.129 37.751 -24.951 1.00 0.00 O ATOM 283 CG2 THR A 19 -2.997 38.291 -26.279 1.00 0.00 C ATOM 0 H THR A 19 -1.838 35.005 -23.623 1.00 0.00 H new ATOM 0 HA THR A 19 -3.353 36.356 -24.407 1.00 0.00 H new ATOM 0 HB THR A 19 -1.530 36.775 -26.752 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.678 38.513 -25.371 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.434 39.112 -26.722 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.713 37.908 -27.006 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.531 38.651 -25.399 1.00 0.00 H new ATOM 291 N ASP A 20 -4.865 34.805 -25.660 1.00 0.00 N ATOM 292 CA ASP A 20 -5.903 34.057 -26.391 1.00 0.00 C ATOM 293 C ASP A 20 -6.836 34.935 -27.262 1.00 0.00 C ATOM 294 O ASP A 20 -8.004 34.605 -27.485 1.00 0.00 O ATOM 295 CB ASP A 20 -6.668 33.145 -25.408 1.00 0.00 C ATOM 296 CG ASP A 20 -7.618 33.885 -24.449 1.00 0.00 C ATOM 297 OD1 ASP A 20 -7.591 35.133 -24.369 1.00 0.00 O ATOM 298 OD2 ASP A 20 -8.416 33.216 -23.756 1.00 0.00 O ATOM 0 H ASP A 20 -5.083 34.913 -24.670 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.396 33.433 -27.127 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.245 32.420 -25.981 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.945 32.582 -24.818 1.00 0.00 H new ATOM 303 N ARG A 21 -6.322 36.063 -27.771 1.00 0.00 N ATOM 304 CA ARG A 21 -6.953 36.963 -28.760 1.00 0.00 C ATOM 305 C ARG A 21 -6.342 36.830 -30.168 1.00 0.00 C ATOM 306 O ARG A 21 -6.894 37.373 -31.126 1.00 0.00 O ATOM 307 CB ARG A 21 -6.903 38.421 -28.236 1.00 0.00 C ATOM 308 CG ARG A 21 -8.286 39.081 -28.074 1.00 0.00 C ATOM 309 CD ARG A 21 -9.020 38.723 -26.770 1.00 0.00 C ATOM 310 NE ARG A 21 -9.267 37.278 -26.643 1.00 0.00 N ATOM 311 CZ ARG A 21 -10.288 36.663 -26.082 1.00 0.00 C ATOM 312 NH1 ARG A 21 -11.298 37.259 -25.520 1.00 0.00 N ATOM 313 NH2 ARG A 21 -10.312 35.369 -26.087 1.00 0.00 N ATOM 0 H ARG A 21 -5.400 36.396 -27.490 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.995 36.664 -28.873 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.392 38.432 -27.273 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.304 39.021 -28.921 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.165 40.163 -28.122 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.912 38.793 -28.918 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.430 39.064 -25.919 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.970 39.256 -26.733 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.552 36.671 -27.043 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.338 38.278 -25.492 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.050 36.708 -25.107 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.550 34.846 -26.519 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.093 34.872 -25.658 1.00 0.00 H new ATOM 327 N ASN A 22 -5.227 36.106 -30.303 1.00 0.00 N ATOM 328 CA ASN A 22 -4.578 35.788 -31.581 1.00 0.00 C ATOM 329 C ASN A 22 -5.344 34.690 -32.360 1.00 0.00 C ATOM 330 O ASN A 22 -6.063 33.880 -31.765 1.00 0.00 O ATOM 331 CB ASN A 22 -3.112 35.417 -31.282 1.00 0.00 C ATOM 332 CG ASN A 22 -2.268 35.240 -32.533 1.00 0.00 C ATOM 333 OD1 ASN A 22 -1.867 34.144 -32.898 1.00 0.00 O ATOM 334 ND2 ASN A 22 -1.981 36.309 -33.243 1.00 0.00 N ATOM 0 H ASN A 22 -4.735 35.712 -29.501 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.595 36.653 -32.244 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.668 36.194 -30.660 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.089 34.493 -30.703 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.426 36.222 -34.094 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.313 37.225 -32.942 1.00 0.00 H new ATOM 341 N HIS A 23 -5.200 34.660 -33.691 1.00 0.00 N ATOM 342 CA HIS A 23 -5.904 33.719 -34.582 1.00 0.00 C ATOM 343 C HIS A 23 -5.454 32.253 -34.407 1.00 0.00 C ATOM 344 O HIS A 23 -4.320 31.978 -34.007 1.00 0.00 O ATOM 345 CB HIS A 23 -5.747 34.188 -36.038 1.00 0.00 C ATOM 346 CG HIS A 23 -6.564 33.380 -37.018 1.00 0.00 C ATOM 347 ND1 HIS A 23 -7.939 33.141 -36.919 1.00 0.00 N ATOM 348 CD2 HIS A 23 -6.076 32.714 -38.104 1.00 0.00 C ATOM 349 CE1 HIS A 23 -8.247 32.335 -37.950 1.00 0.00 C ATOM 350 NE2 HIS A 23 -7.149 32.066 -38.679 1.00 0.00 N ATOM 0 H HIS A 23 -4.581 35.298 -34.191 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.958 33.727 -34.304 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.040 35.236 -36.108 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.695 34.132 -36.319 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.052 32.697 -38.446 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.236 31.957 -38.163 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -7.116 31.482 -39.515 1.00 0.00 H new ATOM 358 N ASP A 24 -6.340 31.304 -34.722 1.00 0.00 N ATOM 359 CA ASP A 24 -6.115 29.854 -34.604 1.00 0.00 C ATOM 360 C ASP A 24 -6.905 29.001 -35.614 1.00 0.00 C ATOM 361 O ASP A 24 -7.868 29.458 -36.238 1.00 0.00 O ATOM 362 CB ASP A 24 -6.450 29.388 -33.171 1.00 0.00 C ATOM 363 CG ASP A 24 -5.635 28.169 -32.694 1.00 0.00 C ATOM 364 OD1 ASP A 24 -4.738 27.680 -33.423 1.00 0.00 O ATOM 365 OD2 ASP A 24 -5.930 27.669 -31.582 1.00 0.00 O ATOM 0 H ASP A 24 -7.268 31.529 -35.080 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.061 29.700 -34.834 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.280 30.216 -32.483 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.511 29.144 -33.119 1.00 0.00 H new ATOM 370 N LEU A 25 -6.530 27.723 -35.706 1.00 0.00 N ATOM 371 CA LEU A 25 -7.378 26.653 -36.229 1.00 0.00 C ATOM 372 C LEU A 25 -8.485 26.322 -35.210 1.00 0.00 C ATOM 373 O LEU A 25 -8.360 26.642 -34.025 1.00 0.00 O ATOM 374 CB LEU A 25 -6.520 25.413 -36.558 1.00 0.00 C ATOM 375 CG LEU A 25 -5.425 25.636 -37.621 1.00 0.00 C ATOM 376 CD1 LEU A 25 -4.641 24.339 -37.826 1.00 0.00 C ATOM 377 CD2 LEU A 25 -5.996 26.063 -38.975 1.00 0.00 C ATOM 0 H LEU A 25 -5.609 27.398 -35.412 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.856 26.981 -37.152 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.047 25.064 -35.640 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.179 24.615 -36.900 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.785 26.437 -37.251 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.867 24.497 -38.577 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.178 24.041 -36.885 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.318 23.554 -38.162 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.181 26.206 -39.685 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.669 25.290 -39.346 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.545 26.998 -38.860 1.00 0.00 H new ATOM 389 N ALA A 26 -9.562 25.683 -35.677 1.00 0.00 N ATOM 390 CA ALA A 26 -10.785 25.396 -34.914 1.00 0.00 C ATOM 391 C ALA A 26 -11.462 26.679 -34.355 1.00 0.00 C ATOM 392 O ALA A 26 -11.344 26.962 -33.154 1.00 0.00 O ATOM 393 CB ALA A 26 -10.473 24.316 -33.865 1.00 0.00 C ATOM 0 H ALA A 26 -9.610 25.337 -36.635 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.548 24.991 -35.579 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.373 24.094 -33.292 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.130 23.411 -34.366 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.695 24.676 -33.192 1.00 0.00 H new ATOM 399 N PRO A 27 -12.151 27.471 -35.211 1.00 0.00 N ATOM 400 CA PRO A 27 -12.724 28.775 -34.868 1.00 0.00 C ATOM 401 C PRO A 27 -13.657 28.746 -33.650 1.00 0.00 C ATOM 402 O PRO A 27 -14.748 28.166 -33.665 1.00 0.00 O ATOM 403 CB PRO A 27 -13.436 29.273 -36.133 1.00 0.00 C ATOM 404 CG PRO A 27 -12.633 28.615 -37.248 1.00 0.00 C ATOM 405 CD PRO A 27 -12.310 27.250 -36.642 1.00 0.00 C ATOM 0 HA PRO A 27 -11.931 29.456 -34.560 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.483 28.970 -36.155 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.417 30.360 -36.207 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.209 28.527 -38.169 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.732 29.178 -37.489 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.110 26.537 -36.840 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.400 26.836 -37.076 1.00 0.00 H new ATOM 413 N ARG A 28 -13.183 29.376 -32.575 1.00 0.00 N ATOM 414 CA ARG A 28 -13.851 29.524 -31.273 1.00 0.00 C ATOM 415 C ARG A 28 -13.628 30.908 -30.647 1.00 0.00 C ATOM 416 O ARG A 28 -12.791 31.685 -31.110 1.00 0.00 O ATOM 417 CB ARG A 28 -13.412 28.358 -30.369 1.00 0.00 C ATOM 418 CG ARG A 28 -11.935 28.433 -29.953 1.00 0.00 C ATOM 419 CD ARG A 28 -11.434 27.073 -29.450 1.00 0.00 C ATOM 420 NE ARG A 28 -9.994 27.110 -29.132 1.00 0.00 N ATOM 421 CZ ARG A 28 -8.990 27.108 -29.995 1.00 0.00 C ATOM 422 NH1 ARG A 28 -9.167 27.049 -31.283 1.00 0.00 N ATOM 423 NH2 ARG A 28 -7.763 27.176 -29.578 1.00 0.00 N ATOM 0 H ARG A 28 -12.267 29.825 -32.586 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.931 29.471 -31.407 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.034 28.347 -29.474 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.588 27.417 -30.891 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.331 28.756 -30.801 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.812 29.182 -29.170 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.996 26.783 -28.562 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.621 26.312 -30.208 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.746 27.140 -28.143 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.111 27.002 -31.666 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.362 27.050 -31.909 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.566 27.232 -28.579 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.995 27.174 -30.250 1.00 0.00 H new ATOM 437 N GLN A 29 -14.374 31.199 -29.585 1.00 0.00 N ATOM 438 CA GLN A 29 -14.376 32.451 -28.823 1.00 0.00 C ATOM 439 C GLN A 29 -14.265 32.123 -27.331 1.00 0.00 C ATOM 440 O GLN A 29 -15.216 31.657 -26.708 1.00 0.00 O ATOM 441 CB GLN A 29 -15.672 33.247 -29.073 1.00 0.00 C ATOM 442 CG GLN A 29 -15.999 33.532 -30.549 1.00 0.00 C ATOM 443 CD GLN A 29 -17.358 32.969 -30.944 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.229 33.661 -31.451 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.570 31.690 -30.718 1.00 0.00 N ATOM 0 H GLN A 29 -15.038 30.524 -29.206 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.531 33.059 -29.145 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.505 32.699 -28.634 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.602 34.198 -28.544 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.986 34.608 -30.723 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.227 33.097 -31.183 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.839 31.119 -30.295 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.466 31.270 -30.966 1.00 0.00 H new ATOM 454 N ILE A 30 -13.098 32.357 -26.747 1.00 0.00 N ATOM 455 CA ILE A 30 -12.884 32.209 -25.303 1.00 0.00 C ATOM 456 C ILE A 30 -13.296 33.523 -24.631 1.00 0.00 C ATOM 457 O ILE A 30 -12.587 34.527 -24.734 1.00 0.00 O ATOM 458 CB ILE A 30 -11.426 31.819 -24.962 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.783 30.789 -25.920 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.375 31.328 -23.504 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.539 29.470 -26.091 1.00 0.00 C ATOM 0 H ILE A 30 -12.267 32.656 -27.257 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.496 31.390 -24.926 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.822 32.717 -25.094 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.675 31.253 -26.901 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.779 30.565 -25.560 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.352 31.049 -23.249 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.710 32.125 -22.840 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.026 30.462 -23.389 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.996 28.827 -26.784 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.625 28.972 -25.125 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.535 29.670 -26.486 1.00 0.00 H new ATOM 473 N ALA A 31 -14.437 33.537 -23.951 1.00 0.00 N ATOM 474 CA ALA A 31 -14.867 34.664 -23.128 1.00 0.00 C ATOM 475 C ALA A 31 -14.506 34.422 -21.656 1.00 0.00 C ATOM 476 O ALA A 31 -14.337 33.285 -21.216 1.00 0.00 O ATOM 477 CB ALA A 31 -16.367 34.891 -23.333 1.00 0.00 C ATOM 0 H ALA A 31 -15.097 32.759 -23.955 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.344 35.571 -23.432 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.695 35.731 -22.721 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.562 35.109 -24.383 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.914 33.995 -23.041 1.00 0.00 H new ATOM 483 N ARG A 32 -14.396 35.497 -20.882 1.00 0.00 N ATOM 484 CA ARG A 32 -14.238 35.464 -19.423 1.00 0.00 C ATOM 485 C ARG A 32 -15.494 35.982 -18.736 1.00 0.00 C ATOM 486 O ARG A 32 -16.192 36.839 -19.283 1.00 0.00 O ATOM 487 CB ARG A 32 -12.965 36.236 -19.041 1.00 0.00 C ATOM 488 CG ARG A 32 -11.766 35.277 -19.062 1.00 0.00 C ATOM 489 CD ARG A 32 -10.414 35.986 -19.200 1.00 0.00 C ATOM 490 NE ARG A 32 -10.154 36.488 -20.567 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.713 35.792 -21.601 1.00 0.00 C ATOM 492 NH1 ARG A 32 -9.588 34.497 -21.595 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.346 36.410 -22.677 1.00 0.00 N ATOM 0 H ARG A 32 -14.414 36.445 -21.258 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.114 34.439 -19.074 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.801 37.058 -19.738 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.076 36.676 -18.050 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.766 34.689 -18.144 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.886 34.577 -19.889 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.376 36.821 -18.500 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.619 35.296 -18.916 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.335 37.479 -20.730 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.836 33.965 -20.761 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.242 34.014 -22.424 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.398 37.428 -22.724 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.005 35.880 -23.479 1.00 0.00 H new ATOM 507 N TYR A 33 -15.755 35.493 -17.525 1.00 0.00 N ATOM 508 CA TYR A 33 -16.868 35.937 -16.685 1.00 0.00 C ATOM 509 C TYR A 33 -16.470 36.008 -15.200 1.00 0.00 C ATOM 510 O TYR A 33 -15.730 35.154 -14.710 1.00 0.00 O ATOM 511 CB TYR A 33 -18.075 35.012 -16.852 1.00 0.00 C ATOM 512 CG TYR A 33 -18.687 34.929 -18.233 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.109 34.120 -19.229 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.877 35.622 -18.497 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.746 33.988 -20.478 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.504 35.507 -19.745 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.963 34.656 -20.723 1.00 0.00 C ATOM 518 OH TYR A 33 -20.651 34.446 -21.870 1.00 0.00 O ATOM 0 H TYR A 33 -15.189 34.764 -17.091 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.136 36.941 -17.013 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.777 34.007 -16.552 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.849 35.336 -16.157 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.181 33.603 -19.036 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.313 36.249 -17.733 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.302 33.375 -21.248 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.401 36.071 -19.954 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.314 35.158 -21.989 1.00 0.00 H new ATOM 528 N ARG A 34 -16.973 37.021 -14.482 1.00 0.00 N ATOM 529 CA ARG A 34 -16.715 37.295 -13.060 1.00 0.00 C ATOM 530 C ARG A 34 -17.953 37.031 -12.206 1.00 0.00 C ATOM 531 O ARG A 34 -19.020 37.577 -12.482 1.00 0.00 O ATOM 532 CB ARG A 34 -16.218 38.743 -12.916 1.00 0.00 C ATOM 533 CG ARG A 34 -15.870 39.073 -11.455 1.00 0.00 C ATOM 534 CD ARG A 34 -14.885 40.239 -11.341 1.00 0.00 C ATOM 535 NE ARG A 34 -15.423 41.505 -11.875 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.828 42.334 -12.717 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.699 42.066 -13.313 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.379 43.482 -12.989 1.00 0.00 N ATOM 0 H ARG A 34 -17.603 37.707 -14.897 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.944 36.617 -12.695 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.339 38.892 -13.544 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.985 39.430 -13.273 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.783 39.318 -10.913 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.442 38.191 -10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.616 40.378 -10.294 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.969 39.987 -11.875 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.356 41.770 -11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.229 41.178 -13.139 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.287 42.745 -13.953 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.265 43.738 -12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.925 44.125 -13.637 1.00 0.00 H new ATOM 552 N THR A 35 -17.808 36.205 -11.176 1.00 0.00 N ATOM 553 CA THR A 35 -18.891 35.796 -10.262 1.00 0.00 C ATOM 554 C THR A 35 -19.167 36.855 -9.197 1.00 0.00 C ATOM 555 O THR A 35 -18.471 37.867 -9.094 1.00 0.00 O ATOM 556 CB THR A 35 -18.597 34.467 -9.560 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.466 34.598 -8.753 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.383 33.318 -10.524 1.00 0.00 C ATOM 0 H THR A 35 -16.910 35.784 -10.939 1.00 0.00 H new ATOM 0 HA THR A 35 -19.770 35.674 -10.894 1.00 0.00 H new ATOM 0 HB THR A 35 -19.477 34.232 -8.962 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.679 34.752 -9.316 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.179 32.406 -9.963 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.279 33.179 -11.129 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.537 33.541 -11.174 1.00 0.00 H new ATOM 566 N ASP A 36 -20.158 36.596 -8.345 1.00 0.00 N ATOM 567 CA ASP A 36 -20.570 37.530 -7.302 1.00 0.00 C ATOM 568 C ASP A 36 -19.568 37.644 -6.136 1.00 0.00 C ATOM 569 O ASP A 36 -19.604 38.639 -5.407 1.00 0.00 O ATOM 570 CB ASP A 36 -21.981 37.152 -6.827 1.00 0.00 C ATOM 571 CG ASP A 36 -22.609 38.225 -5.920 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.879 39.349 -6.409 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.876 37.937 -4.727 1.00 0.00 O ATOM 0 H ASP A 36 -20.698 35.731 -8.360 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.587 38.530 -7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.622 36.995 -7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.937 36.206 -6.287 1.00 0.00 H new ATOM 578 N ASN A 37 -18.623 36.700 -5.991 1.00 0.00 N ATOM 579 CA ASN A 37 -17.519 36.851 -5.026 1.00 0.00 C ATOM 580 C ASN A 37 -16.278 37.545 -5.641 1.00 0.00 C ATOM 581 O ASN A 37 -15.243 37.665 -4.980 1.00 0.00 O ATOM 582 CB ASN A 37 -17.141 35.512 -4.380 1.00 0.00 C ATOM 583 CG ASN A 37 -18.273 34.559 -4.048 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.360 34.923 -3.620 1.00 0.00 O ATOM 585 ND2 ASN A 37 -18.014 33.284 -4.215 1.00 0.00 N ATOM 0 H ASN A 37 -18.600 35.831 -6.524 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.891 37.508 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.451 34.997 -5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.596 35.723 -3.460 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.722 32.586 -3.987 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.105 32.991 -4.572 1.00 0.00 H new ATOM 592 N GLY A 38 -16.346 37.948 -6.917 1.00 0.00 N ATOM 593 CA GLY A 38 -15.203 38.393 -7.724 1.00 0.00 C ATOM 594 C GLY A 38 -14.386 37.267 -8.352 1.00 0.00 C ATOM 595 O GLY A 38 -13.315 37.536 -8.897 1.00 0.00 O ATOM 0 H GLY A 38 -17.226 37.974 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.568 39.044 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.545 38.994 -7.096 1.00 0.00 H new ATOM 599 N GLU A 39 -14.843 36.014 -8.276 1.00 0.00 N ATOM 600 CA GLU A 39 -14.102 34.868 -8.825 1.00 0.00 C ATOM 601 C GLU A 39 -14.248 34.860 -10.353 1.00 0.00 C ATOM 602 O GLU A 39 -15.364 34.788 -10.866 1.00 0.00 O ATOM 603 CB GLU A 39 -14.573 33.530 -8.219 1.00 0.00 C ATOM 604 CG GLU A 39 -14.947 33.622 -6.734 1.00 0.00 C ATOM 605 CD GLU A 39 -14.737 32.351 -5.892 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.829 31.531 -6.172 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.481 32.206 -4.889 1.00 0.00 O ATOM 0 H GLU A 39 -15.729 35.763 -7.837 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.051 34.977 -8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.436 33.171 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.783 32.789 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.366 34.428 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.996 33.908 -6.664 1.00 0.00 H new ATOM 614 N GLU A 40 -13.141 34.952 -11.084 1.00 0.00 N ATOM 615 CA GLU A 40 -13.134 35.039 -12.553 1.00 0.00 C ATOM 616 C GLU A 40 -12.761 33.698 -13.207 1.00 0.00 C ATOM 617 O GLU A 40 -11.749 33.079 -12.863 1.00 0.00 O ATOM 618 CB GLU A 40 -12.169 36.138 -13.028 1.00 0.00 C ATOM 619 CG GLU A 40 -12.554 37.522 -12.493 1.00 0.00 C ATOM 620 CD GLU A 40 -11.668 38.647 -13.062 1.00 0.00 C ATOM 621 OE1 GLU A 40 -10.420 38.508 -13.076 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.218 39.702 -13.460 1.00 0.00 O ATOM 0 H GLU A 40 -12.207 34.969 -10.673 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.148 35.293 -12.862 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.157 35.894 -12.704 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.158 36.162 -14.118 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.596 37.726 -12.740 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.479 37.521 -11.406 1.00 0.00 H new ATOM 629 N PHE A 41 -13.575 33.269 -14.175 1.00 0.00 N ATOM 630 CA PHE A 41 -13.427 32.021 -14.932 1.00 0.00 C ATOM 631 C PHE A 41 -13.518 32.247 -16.447 1.00 0.00 C ATOM 632 O PHE A 41 -13.996 33.281 -16.915 1.00 0.00 O ATOM 633 CB PHE A 41 -14.493 31.019 -14.473 1.00 0.00 C ATOM 634 CG PHE A 41 -14.366 30.604 -13.019 1.00 0.00 C ATOM 635 CD1 PHE A 41 -13.577 29.489 -12.679 1.00 0.00 C ATOM 636 CD2 PHE A 41 -15.008 31.331 -11.999 1.00 0.00 C ATOM 637 CE1 PHE A 41 -13.406 29.112 -11.336 1.00 0.00 C ATOM 638 CE2 PHE A 41 -14.853 30.938 -10.666 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.047 29.840 -10.324 1.00 0.00 C ATOM 0 H PHE A 41 -14.392 33.805 -14.466 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.433 31.621 -14.732 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.479 31.456 -14.630 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.435 30.130 -15.100 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -13.097 28.917 -13.459 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -15.617 32.188 -12.245 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -12.784 28.266 -11.085 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -15.361 31.487 -9.887 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.922 29.559 -9.289 1.00 0.00 H new ATOM 649 N GLU A 42 -13.075 31.254 -17.220 1.00 0.00 N ATOM 650 CA GLU A 42 -13.066 31.266 -18.687 1.00 0.00 C ATOM 651 C GLU A 42 -14.095 30.283 -19.275 1.00 0.00 C ATOM 652 O GLU A 42 -14.200 29.135 -18.835 1.00 0.00 O ATOM 653 CB GLU A 42 -11.663 30.958 -19.244 1.00 0.00 C ATOM 654 CG GLU A 42 -10.501 31.668 -18.524 1.00 0.00 C ATOM 655 CD GLU A 42 -9.891 30.891 -17.332 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.393 29.804 -16.952 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.888 31.379 -16.757 1.00 0.00 O ATOM 0 H GLU A 42 -12.700 30.389 -16.830 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.347 32.274 -18.992 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.498 29.882 -19.193 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.639 31.235 -20.298 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.712 31.866 -19.250 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.854 32.635 -18.165 1.00 0.00 H new ATOM 664 N VAL A 43 -14.830 30.714 -20.300 1.00 0.00 N ATOM 665 CA VAL A 43 -15.826 29.907 -21.026 1.00 0.00 C ATOM 666 C VAL A 43 -15.551 29.934 -22.543 1.00 0.00 C ATOM 667 O VAL A 43 -15.761 30.964 -23.190 1.00 0.00 O ATOM 668 CB VAL A 43 -17.261 30.382 -20.724 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.287 29.420 -21.333 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.552 30.508 -19.221 1.00 0.00 C ATOM 0 H VAL A 43 -14.750 31.664 -20.664 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.736 28.878 -20.678 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.345 31.373 -21.171 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.294 29.772 -21.109 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.149 29.378 -22.413 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.148 28.425 -20.910 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.578 30.846 -19.076 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.419 29.538 -18.742 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.866 31.229 -18.777 1.00 0.00 H new ATOM 680 N PRO A 44 -15.104 28.812 -23.139 1.00 0.00 N ATOM 681 CA PRO A 44 -15.011 28.626 -24.584 1.00 0.00 C ATOM 682 C PRO A 44 -16.391 28.479 -25.244 1.00 0.00 C ATOM 683 O PRO A 44 -17.211 27.649 -24.842 1.00 0.00 O ATOM 684 CB PRO A 44 -14.162 27.367 -24.800 1.00 0.00 C ATOM 685 CG PRO A 44 -13.439 27.156 -23.472 1.00 0.00 C ATOM 686 CD PRO A 44 -14.431 27.721 -22.462 1.00 0.00 C ATOM 0 HA PRO A 44 -14.558 29.501 -25.049 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.784 26.508 -25.053 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.455 27.501 -25.619 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.228 26.103 -23.288 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.485 27.682 -23.441 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.143 26.959 -22.144 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.920 28.073 -21.566 1.00 0.00 H new ATOM 694 N PHE A 45 -16.612 29.256 -26.301 1.00 0.00 N ATOM 695 CA PHE A 45 -17.770 29.189 -27.206 1.00 0.00 C ATOM 696 C PHE A 45 -17.346 28.841 -28.636 1.00 0.00 C ATOM 697 O PHE A 45 -16.358 29.366 -29.143 1.00 0.00 O ATOM 698 CB PHE A 45 -18.513 30.529 -27.201 1.00 0.00 C ATOM 699 CG PHE A 45 -19.340 30.776 -25.955 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.735 31.326 -24.810 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.716 30.473 -25.939 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.501 31.583 -23.663 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.479 30.719 -24.781 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.868 31.271 -23.641 1.00 0.00 C ATOM 0 H PHE A 45 -15.957 29.990 -26.569 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.430 28.399 -26.847 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.787 31.335 -27.307 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.167 30.572 -28.072 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.679 31.551 -24.814 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.186 30.052 -26.815 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.036 32.023 -22.793 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.533 30.484 -24.769 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.450 31.454 -22.750 1.00 0.00 H new ATOM 714 N ALA A 46 -18.123 28.014 -29.328 1.00 0.00 N ATOM 715 CA ALA A 46 -17.894 27.655 -30.732 1.00 0.00 C ATOM 716 C ALA A 46 -18.453 28.728 -31.685 1.00 0.00 C ATOM 717 O ALA A 46 -19.326 29.506 -31.303 1.00 0.00 O ATOM 718 CB ALA A 46 -18.511 26.275 -30.990 1.00 0.00 C ATOM 0 H ALA A 46 -18.945 27.564 -28.926 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.823 27.607 -30.930 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.349 25.993 -32.030 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.042 25.539 -30.337 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.581 26.311 -30.786 1.00 0.00 H new ATOM 724 N ASP A 47 -17.997 28.754 -32.939 1.00 0.00 N ATOM 725 CA ASP A 47 -18.463 29.695 -33.978 1.00 0.00 C ATOM 726 C ASP A 47 -19.976 29.580 -34.286 1.00 0.00 C ATOM 727 O ASP A 47 -20.591 30.521 -34.791 1.00 0.00 O ATOM 728 CB ASP A 47 -17.619 29.470 -35.242 1.00 0.00 C ATOM 729 CG ASP A 47 -17.960 30.452 -36.376 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.636 31.658 -36.251 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.512 30.013 -37.414 1.00 0.00 O ATOM 0 H ASP A 47 -17.279 28.112 -33.274 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.330 30.709 -33.602 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.563 29.568 -34.989 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.769 28.450 -35.595 1.00 0.00 H new ATOM 736 N ASP A 48 -20.595 28.447 -33.937 1.00 0.00 N ATOM 737 CA ASP A 48 -22.050 28.224 -34.003 1.00 0.00 C ATOM 738 C ASP A 48 -22.845 28.998 -32.920 1.00 0.00 C ATOM 739 O ASP A 48 -24.071 29.108 -33.004 1.00 0.00 O ATOM 740 CB ASP A 48 -22.293 26.712 -33.893 1.00 0.00 C ATOM 741 CG ASP A 48 -23.748 26.313 -34.198 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.208 26.523 -35.348 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.424 25.742 -33.308 1.00 0.00 O ATOM 0 H ASP A 48 -20.086 27.634 -33.590 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.419 28.613 -34.952 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.627 26.192 -34.582 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.034 26.380 -32.888 1.00 0.00 H new ATOM 748 N ALA A 49 -22.153 29.548 -31.917 1.00 0.00 N ATOM 749 CA ALA A 49 -22.701 30.297 -30.782 1.00 0.00 C ATOM 750 C ALA A 49 -22.091 31.711 -30.652 1.00 0.00 C ATOM 751 O ALA A 49 -21.018 31.998 -31.186 1.00 0.00 O ATOM 752 CB ALA A 49 -22.472 29.470 -29.509 1.00 0.00 C ATOM 0 H ALA A 49 -21.136 29.478 -31.873 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.768 30.453 -30.944 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.872 30.007 -28.649 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.978 28.509 -29.604 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.404 29.306 -29.369 1.00 0.00 H new ATOM 758 N GLU A 50 -22.758 32.591 -29.900 1.00 0.00 N ATOM 759 CA GLU A 50 -22.279 33.938 -29.546 1.00 0.00 C ATOM 760 C GLU A 50 -22.463 34.222 -28.047 1.00 0.00 C ATOM 761 O GLU A 50 -23.463 33.826 -27.449 1.00 0.00 O ATOM 762 CB GLU A 50 -22.998 35.020 -30.372 1.00 0.00 C ATOM 763 CG GLU A 50 -22.500 35.067 -31.818 1.00 0.00 C ATOM 764 CD GLU A 50 -23.265 36.126 -32.634 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.837 37.306 -32.659 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.301 35.790 -33.260 1.00 0.00 O ATOM 0 H GLU A 50 -23.676 32.383 -29.506 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.214 33.969 -29.778 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.071 34.828 -30.365 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.846 35.993 -29.905 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.434 35.293 -31.831 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.624 34.088 -32.281 1.00 0.00 H new ATOM 773 N ILE A 51 -21.487 34.928 -27.467 1.00 0.00 N ATOM 774 CA ILE A 51 -21.316 35.237 -26.040 1.00 0.00 C ATOM 775 C ILE A 51 -22.529 35.995 -25.473 1.00 0.00 C ATOM 776 O ILE A 51 -22.745 37.165 -25.811 1.00 0.00 O ATOM 777 CB ILE A 51 -20.027 36.057 -25.778 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.813 35.599 -26.618 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.665 36.041 -24.280 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.385 34.143 -26.430 1.00 0.00 C ATOM 0 H ILE A 51 -20.735 35.331 -28.026 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.230 34.278 -25.528 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.257 37.075 -26.094 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.044 35.757 -27.672 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.966 36.241 -26.377 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.757 36.622 -24.119 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.482 36.476 -23.704 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.500 35.013 -23.957 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.526 33.931 -27.067 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.114 33.975 -25.388 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.209 33.483 -26.702 1.00 0.00 H new ATOM 792 N PRO A 52 -23.329 35.354 -24.609 1.00 0.00 N ATOM 793 CA PRO A 52 -24.362 36.020 -23.833 1.00 0.00 C ATOM 794 C PRO A 52 -23.734 36.888 -22.729 1.00 0.00 C ATOM 795 O PRO A 52 -22.669 36.566 -22.195 1.00 0.00 O ATOM 796 CB PRO A 52 -25.223 34.887 -23.278 1.00 0.00 C ATOM 797 CG PRO A 52 -24.246 33.722 -23.137 1.00 0.00 C ATOM 798 CD PRO A 52 -23.212 33.958 -24.232 1.00 0.00 C ATOM 0 HA PRO A 52 -24.964 36.709 -24.426 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.667 35.155 -22.319 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.044 34.641 -23.952 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.783 33.709 -22.150 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.749 32.764 -23.266 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.207 33.735 -23.873 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.396 33.308 -25.087 1.00 0.00 H new ATOM 806 N GLY A 53 -24.411 37.985 -22.371 1.00 0.00 N ATOM 807 CA GLY A 53 -23.979 38.962 -21.357 1.00 0.00 C ATOM 808 C GLY A 53 -23.551 38.366 -20.008 1.00 0.00 C ATOM 809 O GLY A 53 -22.675 38.919 -19.338 1.00 0.00 O ATOM 0 H GLY A 53 -25.307 38.228 -22.793 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.146 39.536 -21.762 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.795 39.664 -21.183 1.00 0.00 H new ATOM 813 N THR A 54 -24.125 37.226 -19.612 1.00 0.00 N ATOM 814 CA THR A 54 -23.687 36.451 -18.445 1.00 0.00 C ATOM 815 C THR A 54 -23.722 34.934 -18.713 1.00 0.00 C ATOM 816 O THR A 54 -24.409 34.470 -19.629 1.00 0.00 O ATOM 817 CB THR A 54 -24.588 36.727 -17.219 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.931 36.375 -17.483 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.660 38.199 -16.818 1.00 0.00 C ATOM 0 H THR A 54 -24.918 36.809 -20.099 1.00 0.00 H new ATOM 0 HA THR A 54 -22.663 36.766 -18.245 1.00 0.00 H new ATOM 0 HB THR A 54 -24.130 36.135 -16.427 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.391 36.183 -16.639 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.311 38.308 -15.951 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.661 38.558 -16.569 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.059 38.783 -17.647 1.00 0.00 H new ATOM 827 N TRP A 55 -22.982 34.147 -17.920 1.00 0.00 N ATOM 828 CA TRP A 55 -22.876 32.683 -18.033 1.00 0.00 C ATOM 829 C TRP A 55 -22.457 32.027 -16.703 1.00 0.00 C ATOM 830 O TRP A 55 -21.706 32.612 -15.921 1.00 0.00 O ATOM 831 CB TRP A 55 -21.862 32.338 -19.130 1.00 0.00 C ATOM 832 CG TRP A 55 -21.835 30.902 -19.542 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.026 29.957 -19.023 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.628 30.219 -20.560 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.223 28.758 -19.670 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.215 28.854 -20.623 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.645 30.624 -21.448 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.780 27.939 -21.524 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.227 29.715 -22.352 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.797 28.375 -22.392 1.00 0.00 C ATOM 0 H TRP A 55 -22.421 34.523 -17.156 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.860 32.290 -18.289 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.079 32.947 -20.007 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.867 32.619 -18.785 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.325 30.117 -18.217 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.701 27.905 -19.470 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.984 31.649 -21.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.439 26.915 -21.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.008 30.048 -23.019 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.247 27.683 -23.088 1.00 0.00 H new ATOM 851 N LEU A 56 -22.916 30.802 -16.427 1.00 0.00 N ATOM 852 CA LEU A 56 -22.601 30.075 -15.190 1.00 0.00 C ATOM 853 C LEU A 56 -21.120 29.653 -15.140 1.00 0.00 C ATOM 854 O LEU A 56 -20.621 28.964 -16.032 1.00 0.00 O ATOM 855 CB LEU A 56 -23.551 28.871 -15.042 1.00 0.00 C ATOM 856 CG LEU A 56 -24.185 28.739 -13.647 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.261 27.654 -13.665 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.159 28.358 -12.582 1.00 0.00 C ATOM 0 H LEU A 56 -23.522 30.281 -17.061 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.756 30.741 -14.341 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.345 28.955 -15.784 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.000 27.958 -15.267 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.608 29.713 -13.400 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.706 27.566 -12.674 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.033 27.919 -14.387 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.813 26.701 -13.947 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.653 28.276 -11.614 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.705 27.401 -12.840 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.386 29.124 -12.531 1.00 0.00 H new ATOM 870 N CYS A 57 -20.423 30.056 -14.080 1.00 0.00 N ATOM 871 CA CYS A 57 -18.998 29.792 -13.870 1.00 0.00 C ATOM 872 C CYS A 57 -18.742 28.548 -13.010 1.00 0.00 C ATOM 873 O CYS A 57 -19.628 28.061 -12.302 1.00 0.00 O ATOM 874 CB CYS A 57 -18.359 31.038 -13.253 1.00 0.00 C ATOM 875 SG CYS A 57 -18.289 32.338 -14.503 1.00 0.00 S ATOM 0 H CYS A 57 -20.844 30.591 -13.321 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.541 29.576 -14.836 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.939 31.373 -12.393 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.357 30.808 -12.892 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.750 33.404 -13.991 1.00 0.00 H new ATOM 881 N ARG A 58 -17.492 28.063 -13.018 1.00 0.00 N ATOM 882 CA ARG A 58 -17.084 26.809 -12.348 1.00 0.00 C ATOM 883 C ARG A 58 -17.220 26.850 -10.818 1.00 0.00 C ATOM 884 O ARG A 58 -17.299 25.800 -10.182 1.00 0.00 O ATOM 885 CB ARG A 58 -15.643 26.417 -12.737 1.00 0.00 C ATOM 886 CG ARG A 58 -15.313 26.536 -14.235 1.00 0.00 C ATOM 887 CD ARG A 58 -13.869 26.107 -14.529 1.00 0.00 C ATOM 888 NE ARG A 58 -13.448 26.588 -15.861 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.400 27.338 -16.153 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.459 27.649 -15.313 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.263 27.857 -17.329 1.00 0.00 N ATOM 0 H ARG A 58 -16.722 28.533 -13.495 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.781 26.050 -12.704 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.949 27.045 -12.178 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.466 25.388 -12.423 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.002 25.917 -14.811 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.461 27.566 -14.561 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.202 26.505 -13.764 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.790 25.021 -14.486 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.035 26.308 -16.647 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.499 27.308 -14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.680 28.234 -15.614 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.969 27.690 -18.046 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.449 28.434 -17.540 1.00 0.00 H new ATOM 905 N ASN A 59 -17.301 28.052 -10.233 1.00 0.00 N ATOM 906 CA ASN A 59 -17.592 28.267 -8.809 1.00 0.00 C ATOM 907 C ASN A 59 -19.037 27.856 -8.412 1.00 0.00 C ATOM 908 O ASN A 59 -19.344 27.665 -7.235 1.00 0.00 O ATOM 909 CB ASN A 59 -17.335 29.756 -8.524 1.00 0.00 C ATOM 910 CG ASN A 59 -17.572 30.227 -7.096 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.397 29.514 -6.119 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.928 31.483 -6.938 1.00 0.00 N ATOM 0 H ASN A 59 -17.163 28.922 -10.748 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.946 27.630 -8.205 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.302 29.980 -8.790 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.970 30.344 -9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -18.058 31.862 -6.000 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.074 32.078 -7.753 1.00 0.00 H new ATOM 919 N GLY A 60 -19.931 27.705 -9.394 1.00 0.00 N ATOM 920 CA GLY A 60 -21.363 27.436 -9.201 1.00 0.00 C ATOM 921 C GLY A 60 -22.221 28.706 -9.098 1.00 0.00 C ATOM 922 O GLY A 60 -23.373 28.634 -8.666 1.00 0.00 O ATOM 0 H GLY A 60 -19.671 27.768 -10.378 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.725 26.830 -10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.494 26.845 -8.294 1.00 0.00 H new ATOM 926 N MET A 61 -21.668 29.864 -9.485 1.00 0.00 N ATOM 927 CA MET A 61 -22.329 31.172 -9.500 1.00 0.00 C ATOM 928 C MET A 61 -22.435 31.718 -10.931 1.00 0.00 C ATOM 929 O MET A 61 -21.558 31.476 -11.763 1.00 0.00 O ATOM 930 CB MET A 61 -21.550 32.119 -8.569 1.00 0.00 C ATOM 931 CG MET A 61 -22.257 33.453 -8.296 1.00 0.00 C ATOM 932 SD MET A 61 -23.953 33.355 -7.650 1.00 0.00 S ATOM 933 CE MET A 61 -23.628 32.722 -5.980 1.00 0.00 C ATOM 0 H MET A 61 -20.703 29.914 -9.811 1.00 0.00 H new ATOM 0 HA MET A 61 -23.352 31.082 -9.135 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.373 31.613 -7.620 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.574 32.321 -9.009 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.654 34.020 -7.587 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.278 34.024 -9.224 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.571 32.604 -5.446 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.126 31.757 -6.048 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.992 33.425 -5.442 1.00 0.00 H new ATOM 943 N GLU A 62 -23.490 32.479 -11.226 1.00 0.00 N ATOM 944 CA GLU A 62 -23.638 33.171 -12.512 1.00 0.00 C ATOM 945 C GLU A 62 -22.596 34.294 -12.635 1.00 0.00 C ATOM 946 O GLU A 62 -22.644 35.297 -11.919 1.00 0.00 O ATOM 947 CB GLU A 62 -25.078 33.672 -12.705 1.00 0.00 C ATOM 948 CG GLU A 62 -25.300 34.156 -14.147 1.00 0.00 C ATOM 949 CD GLU A 62 -26.747 34.633 -14.379 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.690 33.810 -14.275 1.00 0.00 O ATOM 951 OE2 GLU A 62 -26.951 35.832 -14.690 1.00 0.00 O ATOM 0 H GLU A 62 -24.266 32.634 -10.583 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.447 32.465 -13.321 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.780 32.871 -12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.281 34.485 -12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.610 34.971 -14.366 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.069 33.347 -14.841 1.00 0.00 H new ATOM 958 N GLY A 63 -21.623 34.096 -13.525 1.00 0.00 N ATOM 959 CA GLY A 63 -20.605 35.082 -13.861 1.00 0.00 C ATOM 960 C GLY A 63 -21.097 36.101 -14.893 1.00 0.00 C ATOM 961 O GLY A 63 -21.879 35.760 -15.780 1.00 0.00 O ATOM 0 H GLY A 63 -21.522 33.223 -14.043 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.297 35.605 -12.956 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.723 34.572 -14.250 1.00 0.00 H new ATOM 965 N THR A 64 -20.596 37.336 -14.836 1.00 0.00 N ATOM 966 CA THR A 64 -20.871 38.385 -15.836 1.00 0.00 C ATOM 967 C THR A 64 -19.662 38.643 -16.728 1.00 0.00 C ATOM 968 O THR A 64 -18.533 38.664 -16.242 1.00 0.00 O ATOM 969 CB THR A 64 -21.316 39.695 -15.168 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.448 39.471 -14.352 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.699 40.786 -16.173 1.00 0.00 C ATOM 0 H THR A 64 -19.978 37.646 -14.086 1.00 0.00 H new ATOM 0 HA THR A 64 -21.686 38.018 -16.459 1.00 0.00 H new ATOM 0 HB THR A 64 -20.457 40.033 -14.588 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.720 40.313 -13.931 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.004 41.684 -15.636 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.842 41.015 -16.806 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.525 40.436 -16.793 1.00 0.00 H new ATOM 979 N LEU A 65 -19.898 38.815 -18.030 1.00 0.00 N ATOM 980 CA LEU A 65 -18.885 38.914 -19.088 1.00 0.00 C ATOM 981 C LEU A 65 -17.929 40.107 -18.859 1.00 0.00 C ATOM 982 O LEU A 65 -18.373 41.256 -18.806 1.00 0.00 O ATOM 983 CB LEU A 65 -19.670 38.988 -20.415 1.00 0.00 C ATOM 984 CG LEU A 65 -18.920 38.832 -21.754 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.892 39.198 -22.880 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.670 39.690 -21.938 1.00 0.00 C ATOM 0 H LEU A 65 -20.847 38.893 -18.395 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.219 38.051 -19.098 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.441 38.218 -20.381 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.182 39.950 -20.438 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.574 37.799 -21.768 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.389 39.097 -23.842 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.753 38.530 -22.849 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.226 40.227 -22.752 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.233 39.491 -22.916 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.939 40.744 -21.868 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.945 39.448 -21.161 1.00 0.00 H new ATOM 998 N ILE A 66 -16.620 39.838 -18.757 1.00 0.00 N ATOM 999 CA ILE A 66 -15.534 40.835 -18.664 1.00 0.00 C ATOM 1000 C ILE A 66 -14.374 40.516 -19.621 1.00 0.00 C ATOM 1001 O ILE A 66 -14.153 39.365 -19.998 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.009 41.022 -17.216 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.142 39.869 -16.658 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.148 41.358 -16.243 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.769 38.494 -16.662 1.00 0.00 C ATOM 0 H ILE A 66 -16.270 38.880 -18.736 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.978 41.781 -18.972 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.328 41.870 -17.296 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.219 39.825 -17.236 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.865 40.115 -15.633 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.744 41.482 -15.238 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.633 42.283 -16.556 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.877 40.548 -16.243 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.065 37.772 -16.248 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.675 38.506 -16.057 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.019 38.211 -17.684 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.601 41.538 -19.993 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.322 41.398 -20.706 1.00 0.00 C ATOM 1019 C GLU A 67 -11.289 42.420 -20.193 1.00 0.00 C ATOM 1020 O GLU A 67 -11.611 43.596 -20.004 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.549 41.528 -22.223 1.00 0.00 C ATOM 1022 CG GLU A 67 -11.394 40.922 -23.030 1.00 0.00 C ATOM 1023 CD GLU A 67 -11.663 41.011 -24.539 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -11.724 42.134 -25.094 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -11.828 39.960 -25.201 1.00 0.00 O ATOM 0 H GLU A 67 -13.849 42.509 -19.804 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.914 40.407 -20.509 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.481 41.031 -22.494 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.661 42.580 -22.484 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.467 41.444 -22.792 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.255 39.879 -22.744 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.049 41.975 -19.959 1.00 0.00 N ATOM 1033 CA GLY A 68 -8.973 42.815 -19.399 1.00 0.00 C ATOM 1034 C GLY A 68 -7.561 42.222 -19.510 1.00 0.00 C ATOM 1035 O GLY A 68 -6.659 42.629 -18.780 1.00 0.00 O ATOM 0 H GLY A 68 -9.758 41.017 -20.153 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.986 43.780 -19.905 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.190 43.003 -18.348 1.00 0.00 H new ATOM 1039 N ASP A 69 -7.362 41.244 -20.395 1.00 0.00 N ATOM 1040 CA ASP A 69 -6.133 40.440 -20.517 1.00 0.00 C ATOM 1041 C ASP A 69 -5.089 41.002 -21.510 1.00 0.00 C ATOM 1042 O ASP A 69 -4.166 40.296 -21.923 1.00 0.00 O ATOM 1043 CB ASP A 69 -6.554 39.001 -20.858 1.00 0.00 C ATOM 1044 CG ASP A 69 -7.468 38.949 -22.090 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -6.966 38.875 -23.233 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -8.707 38.985 -21.897 1.00 0.00 O ATOM 0 H ASP A 69 -8.075 40.976 -21.074 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.605 40.473 -19.564 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.666 38.396 -21.039 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.070 38.562 -20.004 1.00 0.00 H new ATOM 1051 N LEU A 70 -5.184 42.296 -21.839 1.00 0.00 N ATOM 1052 CA LEU A 70 -4.183 43.081 -22.576 1.00 0.00 C ATOM 1053 C LEU A 70 -3.866 44.405 -21.846 1.00 0.00 C ATOM 1054 O LEU A 70 -4.771 44.978 -21.231 1.00 0.00 O ATOM 1055 CB LEU A 70 -4.666 43.301 -24.024 1.00 0.00 C ATOM 1056 CG LEU A 70 -4.338 42.126 -24.968 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -5.118 42.240 -26.279 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -2.848 42.125 -25.321 1.00 0.00 C ATOM 0 H LEU A 70 -6.001 42.852 -21.587 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.245 42.527 -22.618 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.744 43.462 -24.018 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.210 44.210 -24.416 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.613 41.209 -24.446 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.868 41.399 -26.926 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.187 42.230 -26.068 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.855 43.172 -26.779 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.633 41.290 -25.988 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.591 43.061 -25.817 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.258 42.023 -24.410 1.00 0.00 H new ATOM 1070 N PRO A 71 -2.622 44.927 -21.916 1.00 0.00 N ATOM 1071 CA PRO A 71 -2.240 46.153 -21.213 1.00 0.00 C ATOM 1072 C PRO A 71 -2.741 47.424 -21.920 1.00 0.00 C ATOM 1073 O PRO A 71 -3.295 48.314 -21.277 1.00 0.00 O ATOM 1074 CB PRO A 71 -0.711 46.107 -21.136 1.00 0.00 C ATOM 1075 CG PRO A 71 -0.299 45.306 -22.371 1.00 0.00 C ATOM 1076 CD PRO A 71 -1.463 44.332 -22.573 1.00 0.00 C ATOM 0 HA PRO A 71 -2.697 46.199 -20.225 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.281 47.109 -21.149 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.372 45.626 -20.218 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.160 45.951 -23.239 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.642 44.779 -22.212 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -1.657 44.175 -23.634 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.232 43.357 -22.143 1.00 0.00 H new ATOM 1084 N GLU A 72 -2.560 47.505 -23.245 1.00 0.00 N ATOM 1085 CA GLU A 72 -2.934 48.644 -24.097 1.00 0.00 C ATOM 1086 C GLU A 72 -3.590 48.172 -25.423 1.00 0.00 C ATOM 1087 O GLU A 72 -3.062 48.434 -26.510 1.00 0.00 O ATOM 1088 CB GLU A 72 -1.685 49.520 -24.347 1.00 0.00 C ATOM 1089 CG GLU A 72 -1.016 50.009 -23.054 1.00 0.00 C ATOM 1090 CD GLU A 72 0.116 51.006 -23.348 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -0.141 52.233 -23.422 1.00 0.00 O ATOM 1092 OE2 GLU A 72 1.279 50.558 -23.503 1.00 0.00 O ATOM 0 H GLU A 72 -2.131 46.747 -23.776 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.685 49.245 -23.585 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.961 48.950 -24.929 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.970 50.383 -24.949 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.761 50.481 -22.414 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.618 49.156 -22.504 1.00 0.00 H new ATOM 1099 N PRO A 73 -4.726 47.440 -25.373 1.00 0.00 N ATOM 1100 CA PRO A 73 -5.373 46.876 -26.559 1.00 0.00 C ATOM 1101 C PRO A 73 -5.981 47.935 -27.494 1.00 0.00 C ATOM 1102 O PRO A 73 -6.561 48.930 -27.053 1.00 0.00 O ATOM 1103 CB PRO A 73 -6.454 45.922 -26.036 1.00 0.00 C ATOM 1104 CG PRO A 73 -6.768 46.444 -24.637 1.00 0.00 C ATOM 1105 CD PRO A 73 -5.435 47.021 -24.172 1.00 0.00 C ATOM 0 HA PRO A 73 -4.630 46.366 -27.172 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.338 45.934 -26.673 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.096 44.893 -26.006 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.550 47.203 -24.657 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.113 45.647 -23.978 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.591 47.864 -23.499 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.860 46.276 -23.622 1.00 0.00 H new ATOM 1113 N LYS A 74 -5.927 47.653 -28.803 1.00 0.00 N ATOM 1114 CA LYS A 74 -6.672 48.376 -29.855 1.00 0.00 C ATOM 1115 C LYS A 74 -8.148 47.946 -29.927 1.00 0.00 C ATOM 1116 O LYS A 74 -8.994 48.718 -30.387 1.00 0.00 O ATOM 1117 CB LYS A 74 -5.933 48.181 -31.193 1.00 0.00 C ATOM 1118 CG LYS A 74 -6.497 49.046 -32.332 1.00 0.00 C ATOM 1119 CD LYS A 74 -5.644 48.912 -33.599 1.00 0.00 C ATOM 1120 CE LYS A 74 -6.234 49.771 -34.725 1.00 0.00 C ATOM 1121 NZ LYS A 74 -5.430 49.667 -35.971 1.00 0.00 N ATOM 0 H LYS A 74 -5.351 46.897 -29.174 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.701 49.439 -29.614 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.878 48.418 -31.055 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.989 47.131 -31.481 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.523 48.747 -32.547 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.528 50.090 -32.019 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.620 49.223 -33.392 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.603 47.868 -33.911 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.258 49.456 -34.925 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.277 50.812 -34.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.858 50.260 -36.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.459 49.991 -35.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.410 48.677 -36.290 1.00 0.00 H new ATOM 1135 N LYS A 75 -8.467 46.739 -29.445 1.00 0.00 N ATOM 1136 CA LYS A 75 -9.820 46.165 -29.353 1.00 0.00 C ATOM 1137 C LYS A 75 -10.668 46.906 -28.307 1.00 0.00 C ATOM 1138 O LYS A 75 -10.372 46.855 -27.113 1.00 0.00 O ATOM 1139 CB LYS A 75 -9.677 44.662 -29.043 1.00 0.00 C ATOM 1140 CG LYS A 75 -11.015 43.905 -29.015 1.00 0.00 C ATOM 1141 CD LYS A 75 -10.773 42.413 -28.728 1.00 0.00 C ATOM 1142 CE LYS A 75 -12.063 41.580 -28.721 1.00 0.00 C ATOM 1143 NZ LYS A 75 -12.948 41.924 -27.579 1.00 0.00 N ATOM 0 H LYS A 75 -7.754 46.102 -29.090 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.350 46.284 -30.298 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.028 44.206 -29.791 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.183 44.545 -28.078 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.666 44.329 -28.250 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.527 44.021 -29.970 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.093 42.011 -29.479 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.278 42.311 -27.762 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.601 41.739 -29.656 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.809 40.521 -28.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.522 41.095 -27.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.368 42.210 -26.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.575 42.708 -27.850 1.00 0.00 H new ATOM 1157 N VAL A 76 -11.726 47.575 -28.767 1.00 0.00 N ATOM 1158 CA VAL A 76 -12.736 48.285 -27.951 1.00 0.00 C ATOM 1159 C VAL A 76 -14.108 48.132 -28.617 1.00 0.00 C ATOM 1160 O VAL A 76 -14.201 48.151 -29.849 1.00 0.00 O ATOM 1161 CB VAL A 76 -12.419 49.793 -27.792 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -13.294 50.448 -26.714 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -10.960 50.086 -27.412 1.00 0.00 C ATOM 0 H VAL A 76 -11.920 47.645 -29.766 1.00 0.00 H new ATOM 0 HA VAL A 76 -12.727 47.841 -26.956 1.00 0.00 H new ATOM 0 HB VAL A 76 -12.623 50.208 -28.779 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -13.041 51.505 -26.633 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -14.344 50.346 -26.986 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -13.119 49.959 -25.756 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.817 51.163 -27.319 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.728 49.606 -26.461 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.298 49.697 -28.185 1.00 0.00 H new ATOM 1173 N LYS A 77 -15.179 47.998 -27.825 1.00 0.00 N ATOM 1174 CA LYS A 77 -16.560 47.876 -28.324 1.00 0.00 C ATOM 1175 C LYS A 77 -17.016 49.154 -29.066 1.00 0.00 C ATOM 1176 O LYS A 77 -16.739 50.252 -28.572 1.00 0.00 O ATOM 1177 CB LYS A 77 -17.492 47.558 -27.137 1.00 0.00 C ATOM 1178 CG LYS A 77 -18.898 47.105 -27.570 1.00 0.00 C ATOM 1179 CD LYS A 77 -19.883 46.985 -26.397 1.00 0.00 C ATOM 1180 CE LYS A 77 -20.275 48.335 -25.768 1.00 0.00 C ATOM 1181 NZ LYS A 77 -21.080 49.183 -26.689 1.00 0.00 N ATOM 0 H LYS A 77 -15.113 47.971 -26.807 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.604 47.064 -29.050 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.038 46.777 -26.527 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.581 48.443 -26.507 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.293 47.814 -28.297 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.823 46.141 -28.073 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.785 46.482 -26.744 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.441 46.352 -25.628 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.843 48.155 -24.856 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.372 48.873 -25.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.389 50.041 -26.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.501 49.450 -27.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.914 48.651 -27.011 1.00 0.00 H new ATOM 1195 N PRO A 78 -17.739 49.054 -30.202 1.00 0.00 N ATOM 1196 CA PRO A 78 -18.338 50.213 -30.874 1.00 0.00 C ATOM 1197 C PRO A 78 -19.450 50.887 -30.031 1.00 0.00 C ATOM 1198 O PRO A 78 -19.989 50.247 -29.117 1.00 0.00 O ATOM 1199 CB PRO A 78 -18.870 49.675 -32.210 1.00 0.00 C ATOM 1200 CG PRO A 78 -19.163 48.207 -31.911 1.00 0.00 C ATOM 1201 CD PRO A 78 -18.042 47.835 -30.944 1.00 0.00 C ATOM 0 HA PRO A 78 -17.603 51.004 -31.022 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -19.767 50.207 -32.528 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -18.135 49.783 -33.008 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -20.147 48.073 -31.462 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -19.139 47.597 -32.814 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -18.354 47.035 -30.272 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -17.165 47.476 -31.482 1.00 0.00 H new ATOM 1209 N PRO A 79 -19.841 52.148 -30.325 1.00 0.00 N ATOM 1210 CA PRO A 79 -19.323 53.023 -31.389 1.00 0.00 C ATOM 1211 C PRO A 79 -17.844 53.416 -31.224 1.00 0.00 C ATOM 1212 O PRO A 79 -17.331 53.486 -30.103 1.00 0.00 O ATOM 1213 CB PRO A 79 -20.222 54.268 -31.385 1.00 0.00 C ATOM 1214 CG PRO A 79 -21.516 53.775 -30.744 1.00 0.00 C ATOM 1215 CD PRO A 79 -20.999 52.780 -29.708 1.00 0.00 C ATOM 0 HA PRO A 79 -19.350 52.486 -32.337 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -19.776 55.082 -30.813 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -20.392 54.643 -32.394 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -22.079 54.587 -30.284 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -22.176 53.301 -31.470 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -20.725 53.284 -28.781 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -21.761 52.043 -29.456 1.00 0.00 H new ATOM 1223 N ARG A 80 -17.160 53.651 -32.350 1.00 0.00 N ATOM 1224 CA ARG A 80 -15.703 53.876 -32.437 1.00 0.00 C ATOM 1225 C ARG A 80 -15.352 55.008 -33.412 1.00 0.00 C ATOM 1226 O ARG A 80 -15.860 54.998 -34.557 1.00 0.00 O ATOM 1227 CB ARG A 80 -15.020 52.545 -32.821 1.00 0.00 C ATOM 1228 CG ARG A 80 -13.493 52.536 -32.639 1.00 0.00 C ATOM 1229 CD ARG A 80 -13.090 52.541 -31.156 1.00 0.00 C ATOM 1230 NE ARG A 80 -11.627 52.498 -30.977 1.00 0.00 N ATOM 1231 CZ ARG A 80 -10.855 51.429 -30.949 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -11.295 50.225 -31.169 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -9.589 51.530 -30.686 1.00 0.00 N ATOM 1234 OXT ARG A 80 -14.582 55.912 -33.014 1.00 0.00 O ATOM 0 H ARG A 80 -17.617 53.692 -33.261 1.00 0.00 H new ATOM 0 HA ARG A 80 -15.331 54.202 -31.465 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -15.450 51.744 -32.219 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.250 52.320 -33.862 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.075 51.655 -33.125 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.064 53.407 -33.134 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.487 53.436 -30.676 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.541 51.684 -30.656 1.00 0.00 H new ATOM 0 HE ARG A 80 -11.159 53.397 -30.862 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.282 50.073 -31.376 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.653 49.433 -31.135 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.179 52.445 -30.497 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.004 50.695 -30.668 1.00 0.00 H new TER 1248 ARG A 80