USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 869 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 54 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -1.25 K(o=-1.3,f=0.038) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 9 HIS : no HD1:sc= -0.742 K(o=-0.74,f=-0.042) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0599 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 29:sc= 0.669 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0527 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0949 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.411 USER MOD Single : A 37 SER OG : rot 43:sc= 0.032 USER MOD Single : A 39 GLN : amide:sc=-0.00142 K(o=-0.0014,f=-2!) USER MOD Single : A 43 CYS SG : rot 98:sc= -0.463 USER MOD Single : A 48 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.63) USER MOD Single : A 50 TYR OH : rot -142:sc= -1.7 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.012) USER MOD Single : A 58 ASN : amide:sc= -0.769 X(o=-0.77,f=-0.96) USER MOD Single : A 66 ASN : amide:sc=-0.00179 K(o=-0.0018,f=-3.1!) USER MOD Single : A 69 ASN : amide:sc= -0.75 K(o=-0.75,f=-1.5) USER MOD Single : A 72 GLN : amide:sc= 0.247 K(o=0.25,f=-0.26) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.76! K(o=-1.8!,f=-0.13) USER MOD Single : A 84 HIS : no HE2:sc= 0.867 K(o=0.87,f=-6.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0666 USER MOD Single : A 86 TYR OH : rot 30:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.256 K(o=-0.26,f=-2.5!) USER MOD Single : A 94 SER OG : rot 157:sc= 0.287 USER MOD Single : A 95 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.23) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc=-0.000381 X(o=-0.00038,f=-0.028) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.883 7.138 -14.267 1.00 0.00 N ATOM 2 CA GLY A 1 24.242 7.838 -15.487 1.00 0.00 C ATOM 3 C GLY A 1 25.634 8.434 -15.425 1.00 0.00 C ATOM 4 O GLY A 1 26.451 8.036 -14.595 1.00 0.00 O ATOM 0 H1 GLY A 1 23.473 6.213 -14.506 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.733 7.000 -13.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.186 7.699 -13.737 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.183 7.148 -16.329 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.518 8.631 -15.673 1.00 0.00 H new ATOM 8 N SER A 2 25.907 9.389 -16.308 1.00 0.00 N ATOM 9 CA SER A 2 27.212 10.037 -16.354 1.00 0.00 C ATOM 10 C SER A 2 27.089 11.529 -16.059 1.00 0.00 C ATOM 11 O SER A 2 27.721 12.045 -15.137 1.00 0.00 O ATOM 12 CB SER A 2 27.860 9.829 -17.724 1.00 0.00 C ATOM 13 OG SER A 2 29.074 10.552 -17.830 1.00 0.00 O ATOM 0 H SER A 2 25.242 9.731 -17.001 1.00 0.00 H new ATOM 0 HA SER A 2 27.842 9.584 -15.589 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.051 8.767 -17.882 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.173 10.150 -18.507 1.00 0.00 H new ATOM 0 HG SER A 2 29.469 10.401 -18.714 1.00 0.00 H new ATOM 19 N SER A 3 26.271 12.217 -16.849 1.00 0.00 N ATOM 20 CA SER A 3 26.067 13.650 -16.676 1.00 0.00 C ATOM 21 C SER A 3 26.106 14.030 -15.199 1.00 0.00 C ATOM 22 O SER A 3 25.269 13.593 -14.411 1.00 0.00 O ATOM 23 CB SER A 3 24.730 14.074 -17.288 1.00 0.00 C ATOM 24 OG SER A 3 24.562 15.480 -17.222 1.00 0.00 O ATOM 0 H SER A 3 25.739 11.805 -17.615 1.00 0.00 H new ATOM 0 HA SER A 3 26.875 14.171 -17.189 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.682 13.747 -18.327 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.913 13.582 -16.761 1.00 0.00 H new ATOM 0 HG SER A 3 23.701 15.726 -17.621 1.00 0.00 H new ATOM 30 N GLY A 4 27.087 14.849 -14.831 1.00 0.00 N ATOM 31 CA GLY A 4 27.219 15.274 -13.449 1.00 0.00 C ATOM 32 C GLY A 4 28.269 16.353 -13.273 1.00 0.00 C ATOM 33 O GLY A 4 29.450 16.129 -13.540 1.00 0.00 O ATOM 0 H GLY A 4 27.792 15.226 -15.465 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.258 15.645 -13.093 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.478 14.415 -12.831 1.00 0.00 H new ATOM 37 N SER A 5 27.840 17.528 -12.824 1.00 0.00 N ATOM 38 CA SER A 5 28.751 18.647 -12.618 1.00 0.00 C ATOM 39 C SER A 5 29.651 18.399 -11.411 1.00 0.00 C ATOM 40 O SER A 5 29.429 17.468 -10.637 1.00 0.00 O ATOM 41 CB SER A 5 27.963 19.944 -12.422 1.00 0.00 C ATOM 42 OG SER A 5 27.502 20.452 -13.662 1.00 0.00 O ATOM 0 H SER A 5 26.866 17.730 -12.596 1.00 0.00 H new ATOM 0 HA SER A 5 29.378 18.741 -13.505 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.115 19.762 -11.762 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.594 20.686 -11.933 1.00 0.00 H new ATOM 0 HG SER A 5 27.000 21.280 -13.510 1.00 0.00 H new ATOM 48 N SER A 6 30.670 19.240 -11.258 1.00 0.00 N ATOM 49 CA SER A 6 31.607 19.111 -10.149 1.00 0.00 C ATOM 50 C SER A 6 31.828 17.644 -9.792 1.00 0.00 C ATOM 51 O SER A 6 31.837 17.273 -8.619 1.00 0.00 O ATOM 52 CB SER A 6 31.092 19.873 -8.926 1.00 0.00 C ATOM 53 OG SER A 6 29.888 19.304 -8.442 1.00 0.00 O ATOM 0 H SER A 6 30.867 20.017 -11.888 1.00 0.00 H new ATOM 0 HA SER A 6 32.560 19.539 -10.460 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.847 19.858 -8.140 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.925 20.918 -9.188 1.00 0.00 H new ATOM 0 HG SER A 6 29.579 19.808 -7.660 1.00 0.00 H new ATOM 59 N GLY A 7 32.006 16.813 -10.814 1.00 0.00 N ATOM 60 CA GLY A 7 32.224 15.396 -10.589 1.00 0.00 C ATOM 61 C GLY A 7 30.932 14.643 -10.341 1.00 0.00 C ATOM 62 O GLY A 7 30.087 14.536 -11.230 1.00 0.00 O ATOM 0 H GLY A 7 32.003 17.096 -11.794 1.00 0.00 H new ATOM 0 HA2 GLY A 7 32.730 14.968 -11.454 1.00 0.00 H new ATOM 0 HA3 GLY A 7 32.887 15.265 -9.734 1.00 0.00 H new ATOM 66 N SER A 8 30.778 14.117 -9.130 1.00 0.00 N ATOM 67 CA SER A 8 29.582 13.364 -8.770 1.00 0.00 C ATOM 68 C SER A 8 28.627 14.224 -7.949 1.00 0.00 C ATOM 69 O SER A 8 28.934 15.369 -7.614 1.00 0.00 O ATOM 70 CB SER A 8 29.962 12.109 -7.982 1.00 0.00 C ATOM 71 OG SER A 8 30.792 11.256 -8.751 1.00 0.00 O ATOM 0 H SER A 8 31.466 14.198 -8.382 1.00 0.00 H new ATOM 0 HA SER A 8 29.078 13.068 -9.690 1.00 0.00 H new ATOM 0 HB2 SER A 8 30.478 12.394 -7.065 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.059 11.574 -7.687 1.00 0.00 H new ATOM 0 HG SER A 8 31.022 10.462 -8.225 1.00 0.00 H new ATOM 77 N HIS A 9 27.465 13.664 -7.626 1.00 0.00 N ATOM 78 CA HIS A 9 26.463 14.378 -6.843 1.00 0.00 C ATOM 79 C HIS A 9 25.637 13.409 -6.003 1.00 0.00 C ATOM 80 O HIS A 9 25.022 12.483 -6.532 1.00 0.00 O ATOM 81 CB HIS A 9 25.545 15.184 -7.763 1.00 0.00 C ATOM 82 CG HIS A 9 26.059 16.556 -8.070 1.00 0.00 C ATOM 83 ND1 HIS A 9 26.630 16.893 -9.280 1.00 0.00 N ATOM 84 CD2 HIS A 9 26.084 17.681 -7.318 1.00 0.00 C ATOM 85 CE1 HIS A 9 26.985 18.165 -9.257 1.00 0.00 C ATOM 86 NE2 HIS A 9 26.665 18.667 -8.077 1.00 0.00 N ATOM 0 H HIS A 9 27.194 12.718 -7.895 1.00 0.00 H new ATOM 0 HA HIS A 9 26.983 15.061 -6.171 1.00 0.00 H new ATOM 0 HB2 HIS A 9 25.410 14.638 -8.697 1.00 0.00 H new ATOM 0 HB3 HIS A 9 24.563 15.269 -7.299 1.00 0.00 H new ATOM 0 HD2 HIS A 9 25.715 17.784 -6.308 1.00 0.00 H new ATOM 0 HE1 HIS A 9 27.457 18.704 -10.065 1.00 0.00 H new ATOM 0 HE2 HIS A 9 26.824 19.629 -7.779 1.00 0.00 H new ATOM 94 N ASP A 10 25.629 13.628 -4.693 1.00 0.00 N ATOM 95 CA ASP A 10 24.879 12.773 -3.779 1.00 0.00 C ATOM 96 C ASP A 10 23.553 12.347 -4.400 1.00 0.00 C ATOM 97 O ASP A 10 23.156 11.185 -4.305 1.00 0.00 O ATOM 98 CB ASP A 10 24.628 13.501 -2.458 1.00 0.00 C ATOM 99 CG ASP A 10 25.830 14.302 -2.000 1.00 0.00 C ATOM 100 OD1 ASP A 10 26.893 13.693 -1.760 1.00 0.00 O ATOM 101 OD2 ASP A 10 25.708 15.540 -1.881 1.00 0.00 O ATOM 0 H ASP A 10 26.133 14.390 -4.240 1.00 0.00 H new ATOM 0 HA ASP A 10 25.472 11.879 -3.585 1.00 0.00 H new ATOM 0 HB2 ASP A 10 23.773 14.167 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 10 24.366 12.773 -1.690 1.00 0.00 H new ATOM 106 N SER A 11 22.870 13.295 -5.035 1.00 0.00 N ATOM 107 CA SER A 11 21.585 13.019 -5.667 1.00 0.00 C ATOM 108 C SER A 11 20.642 12.316 -4.695 1.00 0.00 C ATOM 109 O SER A 11 19.928 11.385 -5.070 1.00 0.00 O ATOM 110 CB SER A 11 21.782 12.158 -6.916 1.00 0.00 C ATOM 111 OG SER A 11 22.017 12.964 -8.058 1.00 0.00 O ATOM 0 H SER A 11 23.185 14.261 -5.125 1.00 0.00 H new ATOM 0 HA SER A 11 21.138 13.970 -5.956 1.00 0.00 H new ATOM 0 HB2 SER A 11 22.622 11.480 -6.766 1.00 0.00 H new ATOM 0 HB3 SER A 11 20.899 11.540 -7.079 1.00 0.00 H new ATOM 0 HG SER A 11 22.141 12.391 -8.843 1.00 0.00 H new ATOM 117 N ARG A 12 20.645 12.769 -3.446 1.00 0.00 N ATOM 118 CA ARG A 12 19.791 12.183 -2.419 1.00 0.00 C ATOM 119 C ARG A 12 19.042 13.269 -1.651 1.00 0.00 C ATOM 120 O ARG A 12 19.460 13.678 -0.567 1.00 0.00 O ATOM 121 CB ARG A 12 20.624 11.341 -1.451 1.00 0.00 C ATOM 122 CG ARG A 12 19.827 10.795 -0.278 1.00 0.00 C ATOM 123 CD ARG A 12 19.174 9.465 -0.619 1.00 0.00 C ATOM 124 NE ARG A 12 17.886 9.643 -1.285 1.00 0.00 N ATOM 125 CZ ARG A 12 17.012 8.660 -1.469 1.00 0.00 C ATOM 126 NH1 ARG A 12 17.285 7.436 -1.039 1.00 0.00 N ATOM 127 NH2 ARG A 12 15.861 8.901 -2.085 1.00 0.00 N ATOM 0 H ARG A 12 21.229 13.539 -3.120 1.00 0.00 H new ATOM 0 HA ARG A 12 19.061 11.541 -2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.068 10.508 -1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.446 11.947 -1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 12 20.484 10.669 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.061 11.515 0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.839 8.889 -1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 12 19.033 8.886 0.293 1.00 0.00 H new ATOM 0 HE ARG A 12 17.645 10.573 -1.627 1.00 0.00 H new ATOM 0 HH11 ARG A 12 18.168 7.247 -0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.612 6.683 -1.182 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.648 9.841 -2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.190 8.146 -2.226 1.00 0.00 H new ATOM 141 N LEU A 13 17.934 13.731 -2.220 1.00 0.00 N ATOM 142 CA LEU A 13 17.127 14.770 -1.589 1.00 0.00 C ATOM 143 C LEU A 13 15.640 14.527 -1.832 1.00 0.00 C ATOM 144 O LEU A 13 15.155 14.649 -2.957 1.00 0.00 O ATOM 145 CB LEU A 13 17.524 16.147 -2.124 1.00 0.00 C ATOM 146 CG LEU A 13 19.005 16.509 -2.011 1.00 0.00 C ATOM 147 CD1 LEU A 13 19.356 17.628 -2.979 1.00 0.00 C ATOM 148 CD2 LEU A 13 19.350 16.907 -0.584 1.00 0.00 C ATOM 0 H LEU A 13 17.574 13.403 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 13 17.311 14.737 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 13 17.236 16.204 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.944 16.902 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 13 19.595 15.631 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 13 20.414 17.872 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.148 17.305 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 13 18.758 18.510 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 13 20.408 17.161 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 13 18.752 17.770 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 13 19.137 16.075 0.087 1.00 0.00 H new ATOM 160 N THR A 14 14.921 14.183 -0.768 1.00 0.00 N ATOM 161 CA THR A 14 13.490 13.924 -0.865 1.00 0.00 C ATOM 162 C THR A 14 12.688 14.975 -0.106 1.00 0.00 C ATOM 163 O THR A 14 12.703 15.012 1.124 1.00 0.00 O ATOM 164 CB THR A 14 13.133 12.529 -0.319 1.00 0.00 C ATOM 165 OG1 THR A 14 13.552 12.416 1.046 1.00 0.00 O ATOM 166 CG2 THR A 14 13.792 11.438 -1.149 1.00 0.00 C ATOM 0 H THR A 14 15.306 14.077 0.171 1.00 0.00 H new ATOM 0 HA THR A 14 13.232 13.969 -1.923 1.00 0.00 H new ATOM 0 HB THR A 14 12.052 12.405 -0.379 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.533 13.300 1.468 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.525 10.462 -0.744 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.449 11.509 -2.181 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.875 11.560 -1.117 1.00 0.00 H new ATOM 174 N ALA A 15 11.988 15.828 -0.846 1.00 0.00 N ATOM 175 CA ALA A 15 11.177 16.878 -0.242 1.00 0.00 C ATOM 176 C ALA A 15 9.737 16.816 -0.740 1.00 0.00 C ATOM 177 O ALA A 15 8.795 17.003 0.029 1.00 0.00 O ATOM 178 CB ALA A 15 11.780 18.244 -0.533 1.00 0.00 C ATOM 0 H ALA A 15 11.966 15.813 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 15 11.167 16.720 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.164 19.018 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.788 18.292 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.821 18.402 -1.611 1.00 0.00 H new ATOM 184 N GLY A 16 9.574 16.552 -2.033 1.00 0.00 N ATOM 185 CA GLY A 16 8.246 16.471 -2.612 1.00 0.00 C ATOM 186 C GLY A 16 7.737 15.046 -2.697 1.00 0.00 C ATOM 187 O GLY A 16 6.990 14.699 -3.613 1.00 0.00 O ATOM 0 H GLY A 16 10.338 16.393 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.555 17.065 -2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.261 16.908 -3.610 1.00 0.00 H new ATOM 191 N VAL A 17 8.142 14.215 -1.742 1.00 0.00 N ATOM 192 CA VAL A 17 7.723 12.819 -1.713 1.00 0.00 C ATOM 193 C VAL A 17 6.490 12.634 -0.836 1.00 0.00 C ATOM 194 O VAL A 17 6.281 13.349 0.144 1.00 0.00 O ATOM 195 CB VAL A 17 8.850 11.905 -1.196 1.00 0.00 C ATOM 196 CG1 VAL A 17 9.966 11.799 -2.224 1.00 0.00 C ATOM 197 CG2 VAL A 17 9.385 12.419 0.132 1.00 0.00 C ATOM 0 H VAL A 17 8.761 14.485 -0.977 1.00 0.00 H new ATOM 0 HA VAL A 17 7.481 12.539 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 17 8.440 10.908 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.753 11.149 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.570 11.382 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.376 12.790 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.180 11.761 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.779 13.427 0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.579 12.438 0.866 1.00 0.00 H new ATOM 207 N PRO A 18 5.651 11.650 -1.194 1.00 0.00 N ATOM 208 CA PRO A 18 4.424 11.346 -0.452 1.00 0.00 C ATOM 209 C PRO A 18 4.710 10.737 0.916 1.00 0.00 C ATOM 210 O PRO A 18 5.493 9.794 1.035 1.00 0.00 O ATOM 211 CB PRO A 18 3.709 10.333 -1.350 1.00 0.00 C ATOM 212 CG PRO A 18 4.797 9.693 -2.141 1.00 0.00 C ATOM 213 CD PRO A 18 5.837 10.758 -2.351 1.00 0.00 C ATOM 0 HA PRO A 18 3.839 12.242 -0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.163 9.597 -0.760 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.983 10.823 -1.999 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.215 8.838 -1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.420 9.322 -3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.843 10.338 -2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.687 11.285 -3.293 1.00 0.00 H new ATOM 221 N ASP A 19 4.071 11.281 1.946 1.00 0.00 N ATOM 222 CA ASP A 19 4.256 10.790 3.306 1.00 0.00 C ATOM 223 C ASP A 19 3.605 9.422 3.483 1.00 0.00 C ATOM 224 O ASP A 19 2.890 8.943 2.602 1.00 0.00 O ATOM 225 CB ASP A 19 3.670 11.781 4.313 1.00 0.00 C ATOM 226 CG ASP A 19 4.359 11.712 5.662 1.00 0.00 C ATOM 227 OD1 ASP A 19 5.588 11.493 5.689 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.669 11.879 6.689 1.00 0.00 O ATOM 0 H ASP A 19 3.420 12.062 1.865 1.00 0.00 H new ATOM 0 HA ASP A 19 5.326 10.690 3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.757 12.792 3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.607 11.579 4.441 1.00 0.00 H new ATOM 233 N THR A 20 3.858 8.795 4.628 1.00 0.00 N ATOM 234 CA THR A 20 3.299 7.481 4.920 1.00 0.00 C ATOM 235 C THR A 20 1.780 7.491 4.801 1.00 0.00 C ATOM 236 O THR A 20 1.094 8.338 5.373 1.00 0.00 O ATOM 237 CB THR A 20 3.689 7.005 6.332 1.00 0.00 C ATOM 238 OG1 THR A 20 4.971 7.534 6.690 1.00 0.00 O ATOM 239 CG2 THR A 20 3.725 5.486 6.401 1.00 0.00 C ATOM 0 H THR A 20 4.447 9.177 5.368 1.00 0.00 H new ATOM 0 HA THR A 20 3.714 6.791 4.185 1.00 0.00 H new ATOM 0 HB THR A 20 2.937 7.367 7.034 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.211 7.228 7.590 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.003 5.174 7.408 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.741 5.087 6.156 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.458 5.107 5.689 1.00 0.00 H new ATOM 247 N PRO A 21 1.238 6.527 4.041 1.00 0.00 N ATOM 248 CA PRO A 21 -0.207 6.403 3.831 1.00 0.00 C ATOM 249 C PRO A 21 -0.940 5.957 5.092 1.00 0.00 C ATOM 250 O PRO A 21 -0.353 5.336 5.978 1.00 0.00 O ATOM 251 CB PRO A 21 -0.317 5.333 2.742 1.00 0.00 C ATOM 252 CG PRO A 21 0.928 4.526 2.878 1.00 0.00 C ATOM 253 CD PRO A 21 1.995 5.484 3.330 1.00 0.00 C ATOM 0 HA PRO A 21 -0.662 7.355 3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.205 4.717 2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.392 5.782 1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.794 3.721 3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.197 4.061 1.930 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.721 4.999 3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.550 5.895 2.486 1.00 0.00 H new ATOM 261 N THR A 22 -2.228 6.278 5.166 1.00 0.00 N ATOM 262 CA THR A 22 -3.042 5.911 6.319 1.00 0.00 C ATOM 263 C THR A 22 -3.371 4.422 6.308 1.00 0.00 C ATOM 264 O THR A 22 -3.024 3.707 5.368 1.00 0.00 O ATOM 265 CB THR A 22 -4.355 6.715 6.358 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.151 8.014 5.793 1.00 0.00 O ATOM 267 CG2 THR A 22 -4.863 6.851 7.786 1.00 0.00 C ATOM 0 H THR A 22 -2.730 6.791 4.441 1.00 0.00 H new ATOM 0 HA THR A 22 -2.455 6.144 7.208 1.00 0.00 H new ATOM 0 HB THR A 22 -5.102 6.179 5.773 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.991 8.518 5.820 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.791 7.422 7.789 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.045 5.861 8.203 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.117 7.368 8.390 1.00 0.00 H new ATOM 275 N ARG A 23 -4.042 3.962 7.359 1.00 0.00 N ATOM 276 CA ARG A 23 -4.417 2.558 7.470 1.00 0.00 C ATOM 277 C ARG A 23 -5.100 2.074 6.194 1.00 0.00 C ATOM 278 O ARG A 23 -5.679 2.866 5.449 1.00 0.00 O ATOM 279 CB ARG A 23 -5.345 2.349 8.668 1.00 0.00 C ATOM 280 CG ARG A 23 -4.762 2.840 9.983 1.00 0.00 C ATOM 281 CD ARG A 23 -5.484 2.231 11.175 1.00 0.00 C ATOM 282 NE ARG A 23 -4.976 2.745 12.444 1.00 0.00 N ATOM 283 CZ ARG A 23 -3.867 2.301 13.025 1.00 0.00 C ATOM 284 NH1 ARG A 23 -3.153 1.341 12.453 1.00 0.00 N ATOM 285 NH2 ARG A 23 -3.468 2.819 14.180 1.00 0.00 N ATOM 0 H ARG A 23 -4.337 4.541 8.145 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.507 1.976 7.617 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.286 2.866 8.482 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.576 1.288 8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.703 2.587 10.030 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.832 3.927 10.030 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.551 2.442 11.099 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.371 1.147 11.152 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.501 3.485 12.910 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.455 0.941 11.564 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.302 1.002 12.902 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.013 3.559 14.623 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.616 2.477 14.625 1.00 0.00 H new ATOM 299 N LEU A 24 -5.028 0.771 5.947 1.00 0.00 N ATOM 300 CA LEU A 24 -5.639 0.182 4.761 1.00 0.00 C ATOM 301 C LEU A 24 -6.972 -0.474 5.104 1.00 0.00 C ATOM 302 O LEU A 24 -7.224 -0.830 6.255 1.00 0.00 O ATOM 303 CB LEU A 24 -4.696 -0.849 4.136 1.00 0.00 C ATOM 304 CG LEU A 24 -3.201 -0.594 4.329 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.390 -1.791 3.857 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.774 0.666 3.590 1.00 0.00 C ATOM 0 H LEU A 24 -4.552 0.102 6.552 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.822 0.981 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.934 -1.828 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.901 -0.898 3.067 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.012 -0.449 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.328 -1.591 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.675 -2.673 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.585 -1.968 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.707 0.831 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.978 0.550 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.331 1.520 3.975 1.00 0.00 H new ATOM 318 N VAL A 25 -7.824 -0.634 4.096 1.00 0.00 N ATOM 319 CA VAL A 25 -9.131 -1.251 4.289 1.00 0.00 C ATOM 320 C VAL A 25 -9.273 -2.513 3.446 1.00 0.00 C ATOM 321 O VAL A 25 -9.249 -2.457 2.216 1.00 0.00 O ATOM 322 CB VAL A 25 -10.269 -0.277 3.933 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.590 -1.021 3.807 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.369 0.830 4.972 1.00 0.00 C ATOM 0 H VAL A 25 -7.632 -0.345 3.137 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.205 -1.513 5.344 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.043 0.180 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.382 -0.316 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.511 -1.773 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.825 -1.508 4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.179 1.509 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.570 0.394 5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.430 1.382 5.007 1.00 0.00 H new ATOM 334 N PHE A 26 -9.423 -3.651 4.115 1.00 0.00 N ATOM 335 CA PHE A 26 -9.569 -4.929 3.427 1.00 0.00 C ATOM 336 C PHE A 26 -11.029 -5.373 3.411 1.00 0.00 C ATOM 337 O PHE A 26 -11.727 -5.287 4.421 1.00 0.00 O ATOM 338 CB PHE A 26 -8.707 -5.997 4.102 1.00 0.00 C ATOM 339 CG PHE A 26 -7.282 -5.572 4.313 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.935 -4.776 5.394 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.289 -5.967 3.431 1.00 0.00 C ATOM 342 CE1 PHE A 26 -5.625 -4.383 5.591 1.00 0.00 C ATOM 343 CE2 PHE A 26 -4.977 -5.577 3.623 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.645 -4.783 4.704 1.00 0.00 C ATOM 0 H PHE A 26 -9.447 -3.715 5.133 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.235 -4.800 2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.148 -6.253 5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.722 -6.902 3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.698 -4.459 6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.543 -6.587 2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.368 -3.764 6.438 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.212 -5.893 2.929 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.621 -4.476 4.855 1.00 0.00 H new ATOM 354 N SER A 27 -11.483 -5.849 2.256 1.00 0.00 N ATOM 355 CA SER A 27 -12.861 -6.303 2.105 1.00 0.00 C ATOM 356 C SER A 27 -12.942 -7.825 2.182 1.00 0.00 C ATOM 357 O SER A 27 -13.872 -8.378 2.768 1.00 0.00 O ATOM 358 CB SER A 27 -13.438 -5.817 0.774 1.00 0.00 C ATOM 359 OG SER A 27 -14.840 -6.018 0.722 1.00 0.00 O ATOM 0 H SER A 27 -10.917 -5.930 1.411 1.00 0.00 H new ATOM 0 HA SER A 27 -13.448 -5.883 2.922 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.214 -4.758 0.642 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.960 -6.349 -0.049 1.00 0.00 H new ATOM 0 HG SER A 27 -15.185 -5.698 -0.138 1.00 0.00 H new ATOM 365 N ALA A 28 -11.962 -8.494 1.584 1.00 0.00 N ATOM 366 CA ALA A 28 -11.921 -9.951 1.586 1.00 0.00 C ATOM 367 C ALA A 28 -13.121 -10.535 0.848 1.00 0.00 C ATOM 368 O ALA A 28 -13.836 -11.386 1.380 1.00 0.00 O ATOM 369 CB ALA A 28 -11.870 -10.476 3.013 1.00 0.00 C ATOM 0 H ALA A 28 -11.186 -8.051 1.092 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.018 -10.265 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.840 -11.565 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.978 -10.095 3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.756 -10.145 3.554 1.00 0.00 H new ATOM 375 N LEU A 29 -13.337 -10.074 -0.379 1.00 0.00 N ATOM 376 CA LEU A 29 -14.452 -10.550 -1.190 1.00 0.00 C ATOM 377 C LEU A 29 -14.634 -12.057 -1.035 1.00 0.00 C ATOM 378 O LEU A 29 -15.726 -12.585 -1.238 1.00 0.00 O ATOM 379 CB LEU A 29 -14.223 -10.202 -2.662 1.00 0.00 C ATOM 380 CG LEU A 29 -14.101 -8.713 -2.988 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.910 -7.883 -2.004 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.641 -8.282 -2.977 1.00 0.00 C ATOM 0 H LEU A 29 -12.755 -9.371 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.359 -10.055 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.314 -10.702 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -15.046 -10.615 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.501 -8.546 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.811 -6.826 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.959 -8.172 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.540 -8.055 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.573 -7.220 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.215 -8.464 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.087 -8.854 -3.722 1.00 0.00 H new ATOM 394 N GLY A 30 -13.555 -12.743 -0.670 1.00 0.00 N ATOM 395 CA GLY A 30 -13.617 -14.182 -0.491 1.00 0.00 C ATOM 396 C GLY A 30 -12.340 -14.749 0.096 1.00 0.00 C ATOM 397 O GLY A 30 -11.471 -14.017 0.570 1.00 0.00 O ATOM 0 H GLY A 30 -12.640 -12.328 -0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.454 -14.428 0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.813 -14.656 -1.453 1.00 0.00 H new ATOM 401 N PRO A 31 -12.214 -16.084 0.072 1.00 0.00 N ATOM 402 CA PRO A 31 -11.038 -16.779 0.603 1.00 0.00 C ATOM 403 C PRO A 31 -9.794 -16.548 -0.248 1.00 0.00 C ATOM 404 O PRO A 31 -8.669 -16.597 0.250 1.00 0.00 O ATOM 405 CB PRO A 31 -11.447 -18.253 0.563 1.00 0.00 C ATOM 406 CG PRO A 31 -12.476 -18.331 -0.512 1.00 0.00 C ATOM 407 CD PRO A 31 -13.211 -17.019 -0.478 1.00 0.00 C ATOM 0 HA PRO A 31 -10.771 -16.424 1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.594 -18.895 0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.851 -18.578 1.522 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.012 -18.493 -1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.157 -19.164 -0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.540 -16.717 -1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.101 -17.073 0.149 1.00 0.00 H new ATOM 415 N THR A 32 -10.003 -16.295 -1.537 1.00 0.00 N ATOM 416 CA THR A 32 -8.899 -16.057 -2.458 1.00 0.00 C ATOM 417 C THR A 32 -9.016 -14.685 -3.113 1.00 0.00 C ATOM 418 O THR A 32 -8.413 -14.432 -4.156 1.00 0.00 O ATOM 419 CB THR A 32 -8.842 -17.135 -3.556 1.00 0.00 C ATOM 420 OG1 THR A 32 -10.143 -17.326 -4.123 1.00 0.00 O ATOM 421 CG2 THR A 32 -8.329 -18.452 -2.995 1.00 0.00 C ATOM 0 H THR A 32 -10.927 -16.250 -1.966 1.00 0.00 H new ATOM 0 HA THR A 32 -7.982 -16.099 -1.871 1.00 0.00 H new ATOM 0 HB THR A 32 -8.155 -16.797 -4.331 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.098 -18.012 -4.822 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.298 -19.198 -3.789 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.327 -18.310 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.995 -18.794 -2.202 1.00 0.00 H new ATOM 429 N SER A 33 -9.794 -13.803 -2.494 1.00 0.00 N ATOM 430 CA SER A 33 -9.992 -12.457 -3.020 1.00 0.00 C ATOM 431 C SER A 33 -9.960 -11.425 -1.896 1.00 0.00 C ATOM 432 O SER A 33 -10.358 -11.709 -0.766 1.00 0.00 O ATOM 433 CB SER A 33 -11.322 -12.370 -3.770 1.00 0.00 C ATOM 434 OG SER A 33 -12.331 -13.113 -3.107 1.00 0.00 O ATOM 0 H SER A 33 -10.297 -13.996 -1.628 1.00 0.00 H new ATOM 0 HA SER A 33 -9.178 -12.240 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.629 -11.327 -3.853 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.196 -12.747 -4.785 1.00 0.00 H new ATOM 0 HG SER A 33 -13.172 -13.040 -3.605 1.00 0.00 H new ATOM 440 N LEU A 34 -9.484 -10.227 -2.216 1.00 0.00 N ATOM 441 CA LEU A 34 -9.399 -9.151 -1.235 1.00 0.00 C ATOM 442 C LEU A 34 -9.411 -7.788 -1.919 1.00 0.00 C ATOM 443 O LEU A 34 -9.218 -7.689 -3.131 1.00 0.00 O ATOM 444 CB LEU A 34 -8.131 -9.301 -0.392 1.00 0.00 C ATOM 445 CG LEU A 34 -8.276 -10.102 0.902 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.980 -10.826 1.230 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.685 -9.191 2.050 1.00 0.00 C ATOM 0 H LEU A 34 -9.151 -9.976 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.270 -9.217 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.365 -9.775 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.766 -8.305 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.058 -10.847 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.103 -11.391 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.729 -11.509 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.178 -10.098 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.784 -9.778 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.925 -8.422 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.640 -8.719 1.817 1.00 0.00 H new ATOM 459 N ARG A 35 -9.635 -6.739 -1.134 1.00 0.00 N ATOM 460 CA ARG A 35 -9.670 -5.382 -1.665 1.00 0.00 C ATOM 461 C ARG A 35 -9.030 -4.399 -0.688 1.00 0.00 C ATOM 462 O ARG A 35 -9.622 -4.049 0.334 1.00 0.00 O ATOM 463 CB ARG A 35 -11.113 -4.962 -1.955 1.00 0.00 C ATOM 464 CG ARG A 35 -11.232 -3.577 -2.569 1.00 0.00 C ATOM 465 CD ARG A 35 -12.658 -3.054 -2.492 1.00 0.00 C ATOM 466 NE ARG A 35 -12.795 -1.743 -3.120 1.00 0.00 N ATOM 467 CZ ARG A 35 -13.787 -0.900 -2.854 1.00 0.00 C ATOM 468 NH1 ARG A 35 -14.723 -1.230 -1.975 1.00 0.00 N ATOM 469 NH2 ARG A 35 -13.843 0.276 -3.466 1.00 0.00 N ATOM 0 H ARG A 35 -9.795 -6.803 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.100 -5.368 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.566 -5.689 -2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.684 -4.989 -1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.563 -2.890 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.911 -3.611 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.330 -3.761 -2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.965 -2.990 -1.448 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.090 -1.459 -3.800 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.682 -2.132 -1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.484 -0.581 -1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.124 0.534 -4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.605 0.922 -3.261 1.00 0.00 H new ATOM 483 N VAL A 36 -7.818 -3.959 -1.008 1.00 0.00 N ATOM 484 CA VAL A 36 -7.098 -3.017 -0.160 1.00 0.00 C ATOM 485 C VAL A 36 -7.355 -1.579 -0.594 1.00 0.00 C ATOM 486 O VAL A 36 -7.234 -1.244 -1.773 1.00 0.00 O ATOM 487 CB VAL A 36 -5.581 -3.286 -0.184 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.816 -2.076 0.331 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.247 -4.526 0.631 1.00 0.00 C ATOM 0 H VAL A 36 -7.314 -4.240 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.469 -3.158 0.855 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.277 -3.465 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.746 -2.284 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.032 -1.214 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.121 -1.862 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.172 -4.701 0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.564 -4.379 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.766 -5.388 0.211 1.00 0.00 H new ATOM 499 N SER A 37 -7.710 -0.731 0.366 1.00 0.00 N ATOM 500 CA SER A 37 -7.988 0.672 0.083 1.00 0.00 C ATOM 501 C SER A 37 -7.268 1.580 1.076 1.00 0.00 C ATOM 502 O SER A 37 -7.384 1.406 2.289 1.00 0.00 O ATOM 503 CB SER A 37 -9.494 0.936 0.132 1.00 0.00 C ATOM 504 OG SER A 37 -9.766 2.325 0.199 1.00 0.00 O ATOM 0 H SER A 37 -7.812 -0.991 1.347 1.00 0.00 H new ATOM 0 HA SER A 37 -7.620 0.894 -0.919 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.970 0.511 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.926 0.435 0.998 1.00 0.00 H new ATOM 0 HG SER A 37 -9.180 2.803 -0.424 1.00 0.00 H new ATOM 510 N TRP A 38 -6.525 2.548 0.552 1.00 0.00 N ATOM 511 CA TRP A 38 -5.786 3.484 1.392 1.00 0.00 C ATOM 512 C TRP A 38 -6.275 4.912 1.176 1.00 0.00 C ATOM 513 O TRP A 38 -7.232 5.144 0.439 1.00 0.00 O ATOM 514 CB TRP A 38 -4.288 3.394 1.095 1.00 0.00 C ATOM 515 CG TRP A 38 -3.962 3.532 -0.362 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.426 4.625 -0.981 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.154 2.545 -1.380 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.272 4.376 -2.324 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.710 3.106 -2.594 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.654 1.240 -1.385 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.755 2.407 -3.797 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.698 0.548 -2.581 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.250 1.132 -3.773 1.00 0.00 C ATOM 0 H TRP A 38 -6.418 2.705 -0.450 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.960 3.214 2.434 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.767 4.173 1.652 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.910 2.437 1.456 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.162 5.549 -0.488 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.893 5.030 -3.009 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.000 0.780 -0.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.411 2.856 -4.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.084 -0.460 -2.597 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.296 0.565 -4.691 1.00 0.00 H new ATOM 534 N GLN A 39 -5.612 5.864 1.824 1.00 0.00 N ATOM 535 CA GLN A 39 -5.981 7.269 1.703 1.00 0.00 C ATOM 536 C GLN A 39 -4.850 8.077 1.075 1.00 0.00 C ATOM 537 O GLN A 39 -3.694 7.964 1.482 1.00 0.00 O ATOM 538 CB GLN A 39 -6.334 7.846 3.075 1.00 0.00 C ATOM 539 CG GLN A 39 -6.680 9.326 3.042 1.00 0.00 C ATOM 540 CD GLN A 39 -7.977 9.606 2.309 1.00 0.00 C ATOM 541 OE1 GLN A 39 -7.983 9.830 1.098 1.00 0.00 O ATOM 542 NE2 GLN A 39 -9.085 9.595 3.041 1.00 0.00 N ATOM 0 H GLN A 39 -4.817 5.688 2.438 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.854 7.334 1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.179 7.293 3.486 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.493 7.693 3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.756 9.700 4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.870 9.874 2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.033 9.405 4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.988 9.777 2.602 1.00 0.00 H new ATOM 551 N GLU A 40 -5.191 8.891 0.081 1.00 0.00 N ATOM 552 CA GLU A 40 -4.203 9.716 -0.604 1.00 0.00 C ATOM 553 C GLU A 40 -3.385 10.527 0.397 1.00 0.00 C ATOM 554 O GLU A 40 -3.866 11.489 0.996 1.00 0.00 O ATOM 555 CB GLU A 40 -4.890 10.655 -1.597 1.00 0.00 C ATOM 556 CG GLU A 40 -3.921 11.493 -2.414 1.00 0.00 C ATOM 557 CD GLU A 40 -4.595 12.669 -3.094 1.00 0.00 C ATOM 558 OE1 GLU A 40 -5.126 12.485 -4.209 1.00 0.00 O ATOM 559 OE2 GLU A 40 -4.591 13.773 -2.510 1.00 0.00 O ATOM 0 H GLU A 40 -6.144 8.997 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.529 9.055 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.507 10.065 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.561 11.319 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.127 11.861 -1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.449 10.864 -3.169 1.00 0.00 H new ATOM 566 N PRO A 41 -2.117 10.131 0.583 1.00 0.00 N ATOM 567 CA PRO A 41 -1.204 10.807 1.510 1.00 0.00 C ATOM 568 C PRO A 41 -0.802 12.193 1.019 1.00 0.00 C ATOM 569 O PRO A 41 -0.979 12.523 -0.154 1.00 0.00 O ATOM 570 CB PRO A 41 0.013 9.879 1.548 1.00 0.00 C ATOM 571 CG PRO A 41 -0.022 9.154 0.247 1.00 0.00 C ATOM 572 CD PRO A 41 -1.477 8.993 -0.098 1.00 0.00 C ATOM 0 HA PRO A 41 -1.661 10.973 2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.938 10.444 1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.043 9.187 2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.503 9.715 -0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.470 8.185 0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.641 9.026 -1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.871 8.040 0.255 1.00 0.00 H new ATOM 580 N ARG A 42 -0.260 13.002 1.924 1.00 0.00 N ATOM 581 CA ARG A 42 0.167 14.353 1.583 1.00 0.00 C ATOM 582 C ARG A 42 1.352 14.323 0.622 1.00 0.00 C ATOM 583 O ARG A 42 2.170 13.403 0.658 1.00 0.00 O ATOM 584 CB ARG A 42 0.543 15.127 2.849 1.00 0.00 C ATOM 585 CG ARG A 42 1.843 14.662 3.483 1.00 0.00 C ATOM 586 CD ARG A 42 2.549 15.800 4.205 1.00 0.00 C ATOM 587 NE ARG A 42 3.869 15.406 4.689 1.00 0.00 N ATOM 588 CZ ARG A 42 4.836 16.271 4.971 1.00 0.00 C ATOM 589 NH1 ARG A 42 4.632 17.572 4.820 1.00 0.00 N ATOM 590 NH2 ARG A 42 6.012 15.835 5.407 1.00 0.00 N ATOM 0 H ARG A 42 -0.106 12.745 2.899 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.665 14.856 1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.626 16.186 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.262 15.029 3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.638 13.855 4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.499 14.255 2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.649 16.650 3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.938 16.130 5.045 1.00 0.00 H new ATOM 0 HE ARG A 42 4.059 14.412 4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.730 17.911 4.486 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.377 18.234 5.038 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.173 14.835 5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.754 16.500 5.623 1.00 0.00 H new ATOM 604 N CYS A 43 1.436 15.334 -0.236 1.00 0.00 N ATOM 605 CA CYS A 43 2.520 15.423 -1.208 1.00 0.00 C ATOM 606 C CYS A 43 2.486 16.761 -1.939 1.00 0.00 C ATOM 607 O CYS A 43 1.544 17.053 -2.674 1.00 0.00 O ATOM 608 CB CYS A 43 2.425 14.275 -2.215 1.00 0.00 C ATOM 609 SG CYS A 43 0.907 14.278 -3.196 1.00 0.00 S ATOM 0 H CYS A 43 0.767 16.103 -0.278 1.00 0.00 H new ATOM 0 HA CYS A 43 3.465 15.348 -0.670 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.280 14.325 -2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.497 13.329 -1.679 1.00 0.00 H new ATOM 0 HG CYS A 43 1.138 14.829 -4.351 1.00 0.00 H new ATOM 615 N GLU A 44 3.521 17.570 -1.731 1.00 0.00 N ATOM 616 CA GLU A 44 3.607 18.878 -2.368 1.00 0.00 C ATOM 617 C GLU A 44 3.476 18.754 -3.884 1.00 0.00 C ATOM 618 O GLU A 44 3.062 19.696 -4.560 1.00 0.00 O ATOM 619 CB GLU A 44 4.932 19.556 -2.014 1.00 0.00 C ATOM 620 CG GLU A 44 4.892 21.070 -2.136 1.00 0.00 C ATOM 621 CD GLU A 44 6.251 21.709 -1.920 1.00 0.00 C ATOM 622 OE1 GLU A 44 7.128 21.549 -2.794 1.00 0.00 O ATOM 623 OE2 GLU A 44 6.436 22.369 -0.876 1.00 0.00 O ATOM 0 H GLU A 44 4.310 17.342 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 44 2.784 19.489 -1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.206 19.289 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.715 19.168 -2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.520 21.341 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.186 21.471 -1.408 1.00 0.00 H new ATOM 630 N ARG A 45 3.832 17.587 -4.409 1.00 0.00 N ATOM 631 CA ARG A 45 3.756 17.340 -5.844 1.00 0.00 C ATOM 632 C ARG A 45 2.671 16.315 -6.163 1.00 0.00 C ATOM 633 O ARG A 45 2.293 15.494 -5.326 1.00 0.00 O ATOM 634 CB ARG A 45 5.106 16.850 -6.371 1.00 0.00 C ATOM 635 CG ARG A 45 6.169 17.935 -6.422 1.00 0.00 C ATOM 636 CD ARG A 45 5.868 18.959 -7.505 1.00 0.00 C ATOM 637 NE ARG A 45 6.502 18.616 -8.775 1.00 0.00 N ATOM 638 CZ ARG A 45 6.788 19.506 -9.718 1.00 0.00 C ATOM 639 NH1 ARG A 45 6.498 20.787 -9.535 1.00 0.00 N ATOM 640 NH2 ARG A 45 7.365 19.116 -10.848 1.00 0.00 N ATOM 0 H ARG A 45 4.176 16.797 -3.863 1.00 0.00 H new ATOM 0 HA ARG A 45 3.501 18.279 -6.336 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.460 16.036 -5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.969 16.440 -7.372 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.228 18.434 -5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.143 17.483 -6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.790 19.031 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.213 19.941 -7.181 1.00 0.00 H new ATOM 0 HE ARG A 45 6.738 17.639 -8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.054 21.091 -8.668 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.719 21.469 -10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.589 18.132 -10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.584 19.801 -11.572 1.00 0.00 H new ATOM 654 N PRO A 46 2.158 16.362 -7.401 1.00 0.00 N ATOM 655 CA PRO A 46 1.110 15.444 -7.859 1.00 0.00 C ATOM 656 C PRO A 46 1.619 14.016 -8.018 1.00 0.00 C ATOM 657 O PRO A 46 2.664 13.782 -8.626 1.00 0.00 O ATOM 658 CB PRO A 46 0.702 16.021 -9.217 1.00 0.00 C ATOM 659 CG PRO A 46 1.902 16.768 -9.687 1.00 0.00 C ATOM 660 CD PRO A 46 2.562 17.313 -8.450 1.00 0.00 C ATOM 0 HA PRO A 46 0.289 15.375 -7.146 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.428 15.231 -9.917 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.162 16.678 -9.124 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.580 16.113 -10.234 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.620 17.573 -10.365 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.646 17.355 -8.558 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.224 18.325 -8.227 1.00 0.00 H new ATOM 668 N LEU A 47 0.874 13.063 -7.468 1.00 0.00 N ATOM 669 CA LEU A 47 1.250 11.656 -7.550 1.00 0.00 C ATOM 670 C LEU A 47 0.983 11.101 -8.945 1.00 0.00 C ATOM 671 O LEU A 47 0.086 11.567 -9.647 1.00 0.00 O ATOM 672 CB LEU A 47 0.480 10.841 -6.509 1.00 0.00 C ATOM 673 CG LEU A 47 0.513 11.378 -5.078 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.699 10.893 -4.298 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.800 10.961 -4.381 1.00 0.00 C ATOM 0 H LEU A 47 0.007 13.239 -6.961 1.00 0.00 H new ATOM 0 HA LEU A 47 2.318 11.579 -7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.561 10.774 -6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.878 9.826 -6.504 1.00 0.00 H new ATOM 0 HG LEU A 47 0.482 12.467 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.658 11.285 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.609 11.242 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.699 9.803 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.806 11.352 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.862 9.873 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.655 11.359 -4.928 1.00 0.00 H new ATOM 687 N GLN A 48 1.767 10.102 -9.339 1.00 0.00 N ATOM 688 CA GLN A 48 1.614 9.483 -10.651 1.00 0.00 C ATOM 689 C GLN A 48 0.805 8.194 -10.553 1.00 0.00 C ATOM 690 O GLN A 48 0.205 7.750 -11.531 1.00 0.00 O ATOM 691 CB GLN A 48 2.984 9.194 -11.265 1.00 0.00 C ATOM 692 CG GLN A 48 3.800 10.445 -11.548 1.00 0.00 C ATOM 693 CD GLN A 48 5.261 10.141 -11.817 1.00 0.00 C ATOM 694 OE1 GLN A 48 5.616 9.021 -12.185 1.00 0.00 O ATOM 695 NE2 GLN A 48 6.117 11.140 -11.636 1.00 0.00 N ATOM 0 H GLN A 48 2.514 9.704 -8.769 1.00 0.00 H new ATOM 0 HA GLN A 48 1.076 10.180 -11.293 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.546 8.548 -10.590 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.847 8.642 -12.195 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.376 10.963 -12.408 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.725 11.123 -10.698 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.779 12.052 -11.330 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.113 10.995 -11.803 1.00 0.00 H new ATOM 704 N GLY A 49 0.794 7.596 -9.365 1.00 0.00 N ATOM 705 CA GLY A 49 0.057 6.363 -9.161 1.00 0.00 C ATOM 706 C GLY A 49 0.184 5.838 -7.745 1.00 0.00 C ATOM 707 O GLY A 49 0.184 6.612 -6.787 1.00 0.00 O ATOM 0 H GLY A 49 1.283 7.944 -8.540 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.995 6.531 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.419 5.608 -9.859 1.00 0.00 H new ATOM 711 N TYR A 50 0.290 4.521 -7.611 1.00 0.00 N ATOM 712 CA TYR A 50 0.415 3.893 -6.301 1.00 0.00 C ATOM 713 C TYR A 50 1.041 2.507 -6.418 1.00 0.00 C ATOM 714 O TYR A 50 1.207 1.980 -7.518 1.00 0.00 O ATOM 715 CB TYR A 50 -0.956 3.791 -5.630 1.00 0.00 C ATOM 716 CG TYR A 50 -1.412 5.080 -4.985 1.00 0.00 C ATOM 717 CD1 TYR A 50 -0.790 5.566 -3.841 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.466 5.812 -5.518 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.204 6.743 -3.248 1.00 0.00 C ATOM 720 CE2 TYR A 50 -2.885 6.991 -4.933 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.252 7.452 -3.798 1.00 0.00 C ATOM 722 OH TYR A 50 -2.667 8.625 -3.211 1.00 0.00 O ATOM 0 H TYR A 50 0.292 3.867 -8.394 1.00 0.00 H new ATOM 0 HA TYR A 50 1.068 4.515 -5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.693 3.486 -6.373 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.923 3.007 -4.873 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.031 5.014 -3.408 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.966 5.453 -6.405 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.710 7.106 -2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.704 7.549 -5.362 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.644 8.689 -3.262 1.00 0.00 H new ATOM 732 N SER A 51 1.387 1.923 -5.276 1.00 0.00 N ATOM 733 CA SER A 51 1.998 0.599 -5.248 1.00 0.00 C ATOM 734 C SER A 51 1.461 -0.223 -4.080 1.00 0.00 C ATOM 735 O SER A 51 1.313 0.282 -2.967 1.00 0.00 O ATOM 736 CB SER A 51 3.519 0.719 -5.146 1.00 0.00 C ATOM 737 OG SER A 51 4.122 -0.555 -4.994 1.00 0.00 O ATOM 0 H SER A 51 1.255 2.346 -4.357 1.00 0.00 H new ATOM 0 HA SER A 51 1.742 0.088 -6.176 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.909 1.205 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.781 1.352 -4.298 1.00 0.00 H new ATOM 0 HG SER A 51 5.095 -0.451 -4.933 1.00 0.00 H new ATOM 743 N VAL A 52 1.171 -1.493 -4.343 1.00 0.00 N ATOM 744 CA VAL A 52 0.652 -2.387 -3.314 1.00 0.00 C ATOM 745 C VAL A 52 1.424 -3.702 -3.288 1.00 0.00 C ATOM 746 O VAL A 52 1.140 -4.615 -4.062 1.00 0.00 O ATOM 747 CB VAL A 52 -0.842 -2.687 -3.533 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.400 -3.499 -2.375 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.624 -1.394 -3.713 1.00 0.00 C ATOM 0 H VAL A 52 1.286 -1.926 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 52 0.777 -1.876 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.946 -3.278 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.457 -3.701 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.858 -4.442 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.285 -2.937 -1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.678 -1.625 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.514 -0.775 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.241 -0.855 -4.579 1.00 0.00 H new ATOM 759 N GLU A 53 2.402 -3.790 -2.392 1.00 0.00 N ATOM 760 CA GLU A 53 3.215 -4.993 -2.265 1.00 0.00 C ATOM 761 C GLU A 53 2.661 -5.913 -1.181 1.00 0.00 C ATOM 762 O GLU A 53 2.378 -5.476 -0.066 1.00 0.00 O ATOM 763 CB GLU A 53 4.665 -4.624 -1.944 1.00 0.00 C ATOM 764 CG GLU A 53 5.528 -4.418 -3.177 1.00 0.00 C ATOM 765 CD GLU A 53 6.665 -3.444 -2.937 1.00 0.00 C ATOM 766 OE1 GLU A 53 6.448 -2.444 -2.221 1.00 0.00 O ATOM 767 OE2 GLU A 53 7.772 -3.680 -3.466 1.00 0.00 O ATOM 0 H GLU A 53 2.650 -3.043 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 53 3.185 -5.523 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.675 -3.712 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.104 -5.411 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.937 -5.377 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.906 -4.051 -3.994 1.00 0.00 H new ATOM 774 N TYR A 54 2.508 -7.189 -1.518 1.00 0.00 N ATOM 775 CA TYR A 54 1.985 -8.171 -0.575 1.00 0.00 C ATOM 776 C TYR A 54 2.786 -9.468 -0.639 1.00 0.00 C ATOM 777 O TYR A 54 3.248 -9.872 -1.705 1.00 0.00 O ATOM 778 CB TYR A 54 0.511 -8.454 -0.867 1.00 0.00 C ATOM 779 CG TYR A 54 0.290 -9.315 -2.090 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.441 -10.695 -2.028 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.068 -8.750 -3.307 1.00 0.00 C ATOM 782 CE1 TYR A 54 0.241 -11.487 -3.142 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.271 -9.533 -4.427 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.115 -10.901 -4.339 1.00 0.00 C ATOM 785 OH TYR A 54 -0.315 -11.685 -5.453 1.00 0.00 O ATOM 0 H TYR A 54 2.739 -7.567 -2.437 1.00 0.00 H new ATOM 0 HA TYR A 54 2.077 -7.758 0.429 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.066 -8.945 -0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.013 -7.507 -1.000 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.720 -11.157 -1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.190 -7.679 -3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.363 -12.558 -3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.550 -9.077 -5.365 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.561 -11.117 -6.213 1.00 0.00 H new ATOM 795 N GLN A 55 2.944 -10.115 0.511 1.00 0.00 N ATOM 796 CA GLN A 55 3.689 -11.366 0.587 1.00 0.00 C ATOM 797 C GLN A 55 3.395 -12.096 1.893 1.00 0.00 C ATOM 798 O GLN A 55 3.074 -11.473 2.907 1.00 0.00 O ATOM 799 CB GLN A 55 5.190 -11.099 0.465 1.00 0.00 C ATOM 800 CG GLN A 55 5.861 -10.779 1.790 1.00 0.00 C ATOM 801 CD GLN A 55 7.293 -10.312 1.622 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.681 -9.263 2.137 1.00 0.00 O ATOM 803 NE2 GLN A 55 8.089 -11.090 0.897 1.00 0.00 N ATOM 0 H GLN A 55 2.566 -9.794 1.402 1.00 0.00 H new ATOM 0 HA GLN A 55 3.372 -11.999 -0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.671 -11.973 0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.348 -10.268 -0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.289 -10.007 2.305 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.844 -11.665 2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.726 -11.951 0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.063 -10.826 0.749 1.00 0.00 H new ATOM 812 N LEU A 56 3.506 -13.420 1.864 1.00 0.00 N ATOM 813 CA LEU A 56 3.252 -14.235 3.046 1.00 0.00 C ATOM 814 C LEU A 56 3.929 -13.638 4.276 1.00 0.00 C ATOM 815 O LEU A 56 5.152 -13.499 4.318 1.00 0.00 O ATOM 816 CB LEU A 56 3.749 -15.664 2.820 1.00 0.00 C ATOM 817 CG LEU A 56 2.829 -16.574 2.006 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.567 -17.833 1.576 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.585 -16.930 2.807 1.00 0.00 C ATOM 0 H LEU A 56 3.770 -13.951 1.034 1.00 0.00 H new ATOM 0 HA LEU A 56 2.176 -14.253 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.716 -15.616 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.917 -16.127 3.792 1.00 0.00 H new ATOM 0 HG LEU A 56 2.518 -16.036 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.896 -18.468 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.426 -17.560 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.908 -18.374 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.942 -17.578 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.876 -17.448 3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.044 -16.019 3.063 1.00 0.00 H new ATOM 831 N LEU A 57 3.127 -13.288 5.275 1.00 0.00 N ATOM 832 CA LEU A 57 3.648 -12.708 6.508 1.00 0.00 C ATOM 833 C LEU A 57 4.940 -13.398 6.931 1.00 0.00 C ATOM 834 O LEU A 57 5.990 -12.764 7.032 1.00 0.00 O ATOM 835 CB LEU A 57 2.609 -12.817 7.625 1.00 0.00 C ATOM 836 CG LEU A 57 2.855 -11.946 8.857 1.00 0.00 C ATOM 837 CD1 LEU A 57 2.446 -10.507 8.584 1.00 0.00 C ATOM 838 CD2 LEU A 57 2.102 -12.497 10.059 1.00 0.00 C ATOM 0 H LEU A 57 2.113 -13.396 5.256 1.00 0.00 H new ATOM 0 HA LEU A 57 3.864 -11.656 6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.633 -12.561 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.557 -13.858 7.945 1.00 0.00 H new ATOM 0 HG LEU A 57 3.921 -11.963 9.082 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.628 -9.902 9.472 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.030 -10.114 7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.386 -10.472 8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.289 -11.864 10.927 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.034 -12.511 9.844 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.443 -13.511 10.269 1.00 0.00 H new ATOM 850 N ASN A 58 4.857 -14.702 7.174 1.00 0.00 N ATOM 851 CA ASN A 58 6.020 -15.479 7.585 1.00 0.00 C ATOM 852 C ASN A 58 7.184 -15.266 6.622 1.00 0.00 C ATOM 853 O ASN A 58 8.320 -15.051 7.042 1.00 0.00 O ATOM 854 CB ASN A 58 5.667 -16.966 7.655 1.00 0.00 C ATOM 855 CG ASN A 58 5.001 -17.463 6.386 1.00 0.00 C ATOM 856 OD1 ASN A 58 3.785 -17.358 6.228 1.00 0.00 O ATOM 857 ND2 ASN A 58 5.798 -18.008 5.474 1.00 0.00 N ATOM 0 H ASN A 58 3.996 -15.243 7.093 1.00 0.00 H new ATOM 0 HA ASN A 58 6.323 -15.137 8.575 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.573 -17.544 7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.003 -17.140 8.502 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.407 -18.360 4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.801 -18.074 5.647 1.00 0.00 H new ATOM 864 N GLY A 59 6.892 -15.327 5.326 1.00 0.00 N ATOM 865 CA GLY A 59 7.923 -15.138 4.323 1.00 0.00 C ATOM 866 C GLY A 59 7.760 -16.072 3.140 1.00 0.00 C ATOM 867 O GLY A 59 7.899 -17.287 3.276 1.00 0.00 O ATOM 0 H GLY A 59 5.959 -15.504 4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.900 -14.106 3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.901 -15.299 4.777 1.00 0.00 H new ATOM 871 N GLY A 60 7.463 -15.503 1.976 1.00 0.00 N ATOM 872 CA GLY A 60 7.283 -16.308 0.782 1.00 0.00 C ATOM 873 C GLY A 60 7.536 -15.523 -0.490 1.00 0.00 C ATOM 874 O GLY A 60 8.607 -14.942 -0.665 1.00 0.00 O ATOM 0 H GLY A 60 7.344 -14.499 1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.959 -17.163 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.268 -16.705 0.765 1.00 0.00 H new ATOM 878 N GLU A 61 6.549 -15.507 -1.381 1.00 0.00 N ATOM 879 CA GLU A 61 6.672 -14.790 -2.644 1.00 0.00 C ATOM 880 C GLU A 61 6.104 -13.379 -2.526 1.00 0.00 C ATOM 881 O GLU A 61 4.988 -13.185 -2.041 1.00 0.00 O ATOM 882 CB GLU A 61 5.953 -15.550 -3.760 1.00 0.00 C ATOM 883 CG GLU A 61 6.336 -15.088 -5.156 1.00 0.00 C ATOM 884 CD GLU A 61 6.054 -16.136 -6.215 1.00 0.00 C ATOM 885 OE1 GLU A 61 6.071 -17.339 -5.878 1.00 0.00 O ATOM 886 OE2 GLU A 61 5.817 -15.755 -7.380 1.00 0.00 O ATOM 0 H GLU A 61 5.656 -15.982 -1.251 1.00 0.00 H new ATOM 0 HA GLU A 61 7.732 -14.717 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.174 -16.613 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.877 -15.435 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.788 -14.177 -5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.396 -14.836 -5.173 1.00 0.00 H new ATOM 893 N LEU A 62 6.878 -12.396 -2.972 1.00 0.00 N ATOM 894 CA LEU A 62 6.453 -11.002 -2.917 1.00 0.00 C ATOM 895 C LEU A 62 5.879 -10.554 -4.257 1.00 0.00 C ATOM 896 O LEU A 62 6.490 -10.758 -5.306 1.00 0.00 O ATOM 897 CB LEU A 62 7.629 -10.104 -2.527 1.00 0.00 C ATOM 898 CG LEU A 62 7.352 -8.601 -2.520 1.00 0.00 C ATOM 899 CD1 LEU A 62 7.129 -8.092 -3.936 1.00 0.00 C ATOM 900 CD2 LEU A 62 6.151 -8.284 -1.642 1.00 0.00 C ATOM 0 H LEU A 62 7.804 -12.539 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 62 5.672 -10.916 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.968 -10.395 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.452 -10.298 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 62 8.223 -8.093 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.933 -7.020 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.018 -8.284 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.275 -8.606 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.969 -7.209 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.273 -8.804 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.350 -8.612 -0.622 1.00 0.00 H new ATOM 912 N HIS A 63 4.701 -9.940 -4.215 1.00 0.00 N ATOM 913 CA HIS A 63 4.045 -9.460 -5.426 1.00 0.00 C ATOM 914 C HIS A 63 3.819 -7.952 -5.361 1.00 0.00 C ATOM 915 O HIS A 63 3.120 -7.457 -4.476 1.00 0.00 O ATOM 916 CB HIS A 63 2.710 -10.178 -5.628 1.00 0.00 C ATOM 917 CG HIS A 63 2.845 -11.664 -5.764 1.00 0.00 C ATOM 918 ND1 HIS A 63 3.189 -12.284 -6.947 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.681 -12.654 -4.856 1.00 0.00 C ATOM 920 CE1 HIS A 63 3.230 -13.591 -6.761 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.926 -13.842 -5.500 1.00 0.00 N ATOM 0 H HIS A 63 4.181 -9.763 -3.355 1.00 0.00 H new ATOM 0 HA HIS A 63 4.697 -9.676 -6.272 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.056 -9.956 -4.785 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.225 -9.782 -6.520 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.408 -12.532 -3.818 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.471 -14.329 -7.512 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.881 -14.768 -5.074 1.00 0.00 H new ATOM 929 N ARG A 64 4.415 -7.228 -6.302 1.00 0.00 N ATOM 930 CA ARG A 64 4.281 -5.777 -6.350 1.00 0.00 C ATOM 931 C ARG A 64 3.215 -5.363 -7.360 1.00 0.00 C ATOM 932 O ARG A 64 3.304 -5.693 -8.543 1.00 0.00 O ATOM 933 CB ARG A 64 5.620 -5.131 -6.711 1.00 0.00 C ATOM 934 CG ARG A 64 5.582 -3.612 -6.713 1.00 0.00 C ATOM 935 CD ARG A 64 6.784 -3.025 -7.436 1.00 0.00 C ATOM 936 NE ARG A 64 6.673 -3.165 -8.886 1.00 0.00 N ATOM 937 CZ ARG A 64 7.575 -2.696 -9.741 1.00 0.00 C ATOM 938 NH1 ARG A 64 8.649 -2.061 -9.294 1.00 0.00 N ATOM 939 NH2 ARG A 64 7.403 -2.863 -11.046 1.00 0.00 N ATOM 0 H ARG A 64 4.996 -7.622 -7.042 1.00 0.00 H new ATOM 0 HA ARG A 64 3.974 -5.433 -5.362 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.378 -5.466 -6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.928 -5.480 -7.697 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.665 -3.271 -7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.559 -3.246 -5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.881 -1.970 -7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.692 -3.521 -7.092 1.00 0.00 H new ATOM 0 HE ARG A 64 5.858 -3.649 -9.262 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.784 -1.931 -8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.340 -1.702 -9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.578 -3.352 -11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.096 -2.503 -11.702 1.00 0.00 H new ATOM 953 N LEU A 65 2.208 -4.638 -6.886 1.00 0.00 N ATOM 954 CA LEU A 65 1.123 -4.179 -7.747 1.00 0.00 C ATOM 955 C LEU A 65 1.219 -2.676 -7.988 1.00 0.00 C ATOM 956 O LEU A 65 1.186 -1.883 -7.048 1.00 0.00 O ATOM 957 CB LEU A 65 -0.230 -4.521 -7.122 1.00 0.00 C ATOM 958 CG LEU A 65 -0.444 -5.988 -6.745 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.653 -6.134 -5.835 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.608 -6.841 -7.994 1.00 0.00 C ATOM 0 H LEU A 65 2.120 -4.355 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 65 1.212 -4.689 -8.706 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.357 -3.914 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.014 -4.228 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 65 0.436 -6.337 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.790 -7.184 -5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.496 -5.555 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.542 -5.768 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.759 -7.882 -7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.470 -6.492 -8.562 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.288 -6.761 -8.609 1.00 0.00 H new ATOM 972 N ASN A 66 1.336 -2.291 -9.255 1.00 0.00 N ATOM 973 CA ASN A 66 1.435 -0.883 -9.620 1.00 0.00 C ATOM 974 C ASN A 66 0.071 -0.328 -10.020 1.00 0.00 C ATOM 975 O ASN A 66 -0.748 -1.032 -10.610 1.00 0.00 O ATOM 976 CB ASN A 66 2.429 -0.701 -10.769 1.00 0.00 C ATOM 977 CG ASN A 66 3.868 -0.867 -10.320 1.00 0.00 C ATOM 978 OD1 ASN A 66 4.406 -1.975 -10.319 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.499 0.236 -9.936 1.00 0.00 N ATOM 0 H ASN A 66 1.365 -2.935 -10.046 1.00 0.00 H new ATOM 0 HA ASN A 66 1.791 -0.332 -8.750 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.210 -1.425 -11.553 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.299 0.290 -11.205 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.469 0.186 -9.624 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.014 1.133 -9.953 1.00 0.00 H new ATOM 986 N ILE A 67 -0.164 0.939 -9.695 1.00 0.00 N ATOM 987 CA ILE A 67 -1.427 1.589 -10.022 1.00 0.00 C ATOM 988 C ILE A 67 -1.222 2.713 -11.032 1.00 0.00 C ATOM 989 O ILE A 67 -0.659 3.764 -10.723 1.00 0.00 O ATOM 990 CB ILE A 67 -2.107 2.162 -8.764 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.012 1.165 -7.607 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.560 2.505 -9.057 1.00 0.00 C ATOM 993 CD1 ILE A 67 -2.861 -0.071 -7.804 1.00 0.00 C ATOM 0 H ILE A 67 0.503 1.535 -9.206 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.071 0.825 -10.458 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.590 3.076 -8.474 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.972 0.865 -7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.315 1.661 -6.685 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.027 2.909 -8.159 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.605 3.247 -9.854 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.091 1.605 -9.369 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.745 -0.733 -6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.908 0.218 -7.900 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.544 -0.590 -8.708 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.689 2.489 -12.269 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.571 3.473 -13.349 1.00 0.00 C ATOM 1007 C PRO A 68 -2.463 4.689 -13.126 1.00 0.00 C ATOM 1008 O PRO A 68 -2.524 5.587 -13.965 1.00 0.00 O ATOM 1009 CB PRO A 68 -2.026 2.696 -14.587 1.00 0.00 C ATOM 1010 CG PRO A 68 -2.921 1.629 -14.057 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.370 1.260 -12.708 1.00 0.00 C ATOM 0 HA PRO A 68 -0.560 3.873 -13.427 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.553 3.343 -15.289 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.177 2.271 -15.122 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.948 1.986 -13.975 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.936 0.766 -14.722 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.161 0.970 -12.016 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.679 0.419 -12.772 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.152 4.712 -11.990 1.00 0.00 N ATOM 1020 CA ASN A 69 -4.040 5.819 -11.657 1.00 0.00 C ATOM 1021 C ASN A 69 -3.770 6.328 -10.244 1.00 0.00 C ATOM 1022 O ASN A 69 -4.024 5.644 -9.252 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.502 5.384 -11.784 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.459 6.560 -11.770 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.163 7.621 -12.318 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.614 6.375 -11.140 1.00 0.00 N ATOM 0 H ASN A 69 -3.112 3.976 -11.285 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.847 6.630 -12.359 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.632 4.824 -12.710 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.749 4.708 -10.965 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.298 7.130 -11.097 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.817 5.478 -10.700 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.243 7.557 -10.148 1.00 0.00 N ATOM 1034 CA PRO A 70 -2.928 8.186 -8.862 1.00 0.00 C ATOM 1035 C PRO A 70 -4.181 8.555 -8.075 1.00 0.00 C ATOM 1036 O PRO A 70 -4.097 9.030 -6.943 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.157 9.446 -9.262 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.627 9.756 -10.641 1.00 0.00 C ATOM 1039 CD PRO A 70 -2.915 8.429 -11.289 1.00 0.00 C ATOM 0 HA PRO A 70 -2.368 7.518 -8.208 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.363 10.270 -8.579 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.081 9.275 -9.240 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.520 10.381 -10.618 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.868 10.306 -11.198 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.744 8.497 -11.994 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.054 8.057 -11.844 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.342 8.333 -8.682 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.613 8.640 -8.036 1.00 0.00 C ATOM 1049 C ALA A 71 -7.229 7.391 -7.415 1.00 0.00 C ATOM 1050 O ALA A 71 -8.005 7.479 -6.464 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.575 9.265 -9.035 1.00 0.00 C ATOM 0 H ALA A 71 -5.429 7.942 -9.620 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.422 9.355 -7.236 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.520 9.489 -8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.144 10.186 -9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.752 8.569 -9.855 1.00 0.00 H new ATOM 1057 N GLN A 72 -6.879 6.230 -7.961 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.400 4.964 -7.460 1.00 0.00 C ATOM 1059 C GLN A 72 -6.706 4.564 -6.162 1.00 0.00 C ATOM 1060 O GLN A 72 -5.603 4.017 -6.178 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.221 3.864 -8.508 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.462 2.464 -7.968 1.00 0.00 C ATOM 1063 CD GLN A 72 -7.052 1.382 -8.948 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -7.150 1.559 -10.162 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.588 0.253 -8.424 1.00 0.00 N ATOM 0 H GLN A 72 -6.238 6.141 -8.749 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.463 5.093 -7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.906 4.048 -9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.210 3.920 -8.912 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.907 2.337 -7.039 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.519 2.349 -7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.524 0.149 -7.411 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.296 -0.510 -9.034 1.00 0.00 H new ATOM 1074 N THR A 73 -7.359 4.842 -5.038 1.00 0.00 N ATOM 1075 CA THR A 73 -6.804 4.513 -3.731 1.00 0.00 C ATOM 1076 C THR A 73 -7.342 3.180 -3.225 1.00 0.00 C ATOM 1077 O THR A 73 -7.534 2.993 -2.023 1.00 0.00 O ATOM 1078 CB THR A 73 -7.120 5.608 -2.695 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.533 5.681 -2.475 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.603 6.960 -3.162 1.00 0.00 C ATOM 0 H THR A 73 -8.273 5.294 -5.007 1.00 0.00 H new ATOM 0 HA THR A 73 -5.723 4.442 -3.855 1.00 0.00 H new ATOM 0 HB THR A 73 -6.621 5.349 -1.761 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.726 6.378 -1.814 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.838 7.717 -2.414 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.523 6.909 -3.300 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.077 7.224 -4.107 1.00 0.00 H new ATOM 1088 N SER A 74 -7.583 2.255 -4.148 1.00 0.00 N ATOM 1089 CA SER A 74 -8.103 0.939 -3.795 1.00 0.00 C ATOM 1090 C SER A 74 -7.845 -0.065 -4.915 1.00 0.00 C ATOM 1091 O SER A 74 -8.058 0.230 -6.091 1.00 0.00 O ATOM 1092 CB SER A 74 -9.602 1.021 -3.504 1.00 0.00 C ATOM 1093 OG SER A 74 -10.288 1.696 -4.544 1.00 0.00 O ATOM 0 H SER A 74 -7.426 2.392 -5.147 1.00 0.00 H new ATOM 0 HA SER A 74 -7.584 0.599 -2.899 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.009 0.016 -3.388 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.764 1.541 -2.560 1.00 0.00 H new ATOM 0 HG SER A 74 -11.245 1.733 -4.334 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.384 -1.254 -4.540 1.00 0.00 N ATOM 1100 CA VAL A 75 -7.097 -2.304 -5.511 1.00 0.00 C ATOM 1101 C VAL A 75 -7.544 -3.667 -4.994 1.00 0.00 C ATOM 1102 O VAL A 75 -7.451 -3.951 -3.800 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.596 -2.362 -5.848 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.794 -2.820 -4.639 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.352 -3.277 -7.038 1.00 0.00 C ATOM 0 H VAL A 75 -7.201 -1.514 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.655 -2.060 -6.415 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.263 -1.359 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.735 -2.855 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.945 -2.121 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.127 -3.813 -4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.286 -3.306 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.701 -4.282 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.895 -2.899 -7.905 1.00 0.00 H new ATOM 1115 N VAL A 76 -8.029 -4.508 -5.902 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.489 -5.843 -5.539 1.00 0.00 C ATOM 1117 C VAL A 76 -7.370 -6.869 -5.686 1.00 0.00 C ATOM 1118 O VAL A 76 -6.804 -7.035 -6.766 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.686 -6.279 -6.404 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -10.024 -7.740 -6.152 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.891 -5.390 -6.132 1.00 0.00 C ATOM 0 H VAL A 76 -8.113 -4.288 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.802 -5.797 -4.496 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.412 -6.171 -7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.872 -8.029 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.164 -8.361 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.279 -7.879 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.728 -5.712 -6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.168 -5.465 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.641 -4.356 -6.369 1.00 0.00 H new ATOM 1131 N VAL A 77 -7.056 -7.555 -4.592 1.00 0.00 N ATOM 1132 CA VAL A 77 -6.006 -8.566 -4.598 1.00 0.00 C ATOM 1133 C VAL A 77 -6.596 -9.972 -4.588 1.00 0.00 C ATOM 1134 O VAL A 77 -7.284 -10.359 -3.644 1.00 0.00 O ATOM 1135 CB VAL A 77 -5.066 -8.407 -3.389 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -3.970 -9.461 -3.421 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.470 -7.008 -3.358 1.00 0.00 C ATOM 0 H VAL A 77 -7.514 -7.429 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.434 -8.422 -5.515 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.648 -8.550 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.316 -9.332 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.419 -10.454 -3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.388 -9.354 -4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.808 -6.913 -2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.903 -6.834 -4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.271 -6.273 -3.282 1.00 0.00 H new ATOM 1147 N GLU A 78 -6.323 -10.731 -5.644 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.827 -12.094 -5.756 1.00 0.00 C ATOM 1149 C GLU A 78 -5.682 -13.085 -5.939 1.00 0.00 C ATOM 1150 O GLU A 78 -4.510 -12.713 -5.881 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.805 -12.205 -6.928 1.00 0.00 C ATOM 1152 CG GLU A 78 -9.065 -11.375 -6.751 1.00 0.00 C ATOM 1153 CD GLU A 78 -10.147 -11.736 -7.750 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -10.597 -12.901 -7.741 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -10.543 -10.854 -8.541 1.00 0.00 O ATOM 0 H GLU A 78 -5.755 -10.425 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.350 -12.337 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.300 -11.893 -7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.084 -13.250 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.448 -11.514 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.817 -10.319 -6.855 1.00 0.00 H new ATOM 1162 N ASP A 79 -6.030 -14.348 -6.159 1.00 0.00 N ATOM 1163 CA ASP A 79 -5.032 -15.394 -6.351 1.00 0.00 C ATOM 1164 C ASP A 79 -4.160 -15.548 -5.109 1.00 0.00 C ATOM 1165 O ASP A 79 -2.934 -15.624 -5.203 1.00 0.00 O ATOM 1166 CB ASP A 79 -4.158 -15.078 -7.567 1.00 0.00 C ATOM 1167 CG ASP A 79 -4.845 -15.413 -8.876 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -6.011 -15.006 -9.055 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -4.216 -16.083 -9.722 1.00 0.00 O ATOM 0 H ASP A 79 -6.996 -14.672 -6.209 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.556 -16.334 -6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.896 -14.020 -7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.225 -15.638 -7.496 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.800 -15.592 -3.946 1.00 0.00 N ATOM 1175 CA LEU A 80 -4.083 -15.736 -2.683 1.00 0.00 C ATOM 1176 C LEU A 80 -4.269 -17.137 -2.108 1.00 0.00 C ATOM 1177 O LEU A 80 -4.996 -17.958 -2.668 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.567 -14.691 -1.677 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.473 -13.232 -2.127 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.516 -12.386 -1.414 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.076 -12.685 -1.875 1.00 0.00 C ATOM 0 H LEU A 80 -5.814 -15.530 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.022 -15.581 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.606 -14.908 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.990 -14.805 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.670 -13.188 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.434 -11.351 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.512 -12.764 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.351 -12.435 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.028 -11.646 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.850 -12.742 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.348 -13.275 -2.433 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.609 -17.402 -0.986 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.704 -18.703 -0.332 1.00 0.00 C ATOM 1195 C LEU A 81 -4.634 -18.639 0.875 1.00 0.00 C ATOM 1196 O LEU A 81 -4.631 -17.677 1.643 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.317 -19.178 0.103 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.469 -19.852 -0.976 1.00 0.00 C ATOM 1199 CD1 LEU A 81 -0.033 -20.015 -0.502 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -2.063 -21.200 -1.357 1.00 0.00 C ATOM 0 H LEU A 81 -3.003 -16.734 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.117 -19.413 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.765 -18.320 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.437 -19.876 0.931 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.468 -19.215 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.556 -20.496 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.390 -19.035 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.014 -20.630 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.446 -21.665 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.095 -21.845 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.074 -21.057 -1.740 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.450 -19.690 1.050 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.399 -19.779 2.163 1.00 0.00 C ATOM 1214 C PRO A 82 -5.701 -19.973 3.505 1.00 0.00 C ATOM 1215 O PRO A 82 -4.655 -20.615 3.585 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.240 -21.010 1.815 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.355 -21.841 0.951 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.507 -20.872 0.174 1.00 0.00 C ATOM 0 HA PRO A 82 -6.983 -18.865 2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.539 -21.552 2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.154 -20.730 1.292 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.736 -22.507 1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.942 -22.470 0.282 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.513 -21.275 -0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.951 -20.635 -0.793 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.288 -19.413 4.558 1.00 0.00 N ATOM 1227 CA ASN A 83 -5.722 -19.525 5.898 1.00 0.00 C ATOM 1228 C ASN A 83 -4.236 -19.178 5.891 1.00 0.00 C ATOM 1229 O ASN A 83 -3.415 -19.907 6.447 1.00 0.00 O ATOM 1230 CB ASN A 83 -5.924 -20.940 6.443 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.370 -21.217 6.809 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -7.665 -21.682 7.910 1.00 0.00 O ATOM 1233 ND2 ASN A 83 -8.279 -20.933 5.883 1.00 0.00 N ATOM 0 H ASN A 83 -7.155 -18.877 4.510 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.240 -18.817 6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.596 -21.664 5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.296 -21.081 7.323 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.268 -21.099 6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.988 -20.549 4.984 1.00 0.00 H new ATOM 1240 N HIS A 84 -3.898 -18.059 5.258 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.511 -17.614 5.180 1.00 0.00 C ATOM 1242 C HIS A 84 -2.416 -16.100 5.347 1.00 0.00 C ATOM 1243 O HIS A 84 -3.083 -15.345 4.640 1.00 0.00 O ATOM 1244 CB HIS A 84 -1.894 -18.031 3.845 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.347 -19.426 3.848 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.130 -20.542 3.641 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.086 -19.881 4.033 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.374 -21.624 3.700 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.130 -21.250 3.937 1.00 0.00 N ATOM 0 H HIS A 84 -4.565 -17.444 4.792 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.957 -18.087 5.991 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.649 -17.947 3.063 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.094 -17.336 3.591 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.135 -20.534 3.469 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.791 -19.280 4.221 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.715 -22.641 3.576 1.00 0.00 H new ATOM 1257 N SER A 85 -1.583 -15.664 6.286 1.00 0.00 N ATOM 1258 CA SER A 85 -1.404 -14.241 6.549 1.00 0.00 C ATOM 1259 C SER A 85 -0.601 -13.580 5.434 1.00 0.00 C ATOM 1260 O SER A 85 0.288 -14.196 4.844 1.00 0.00 O ATOM 1261 CB SER A 85 -0.702 -14.033 7.892 1.00 0.00 C ATOM 1262 OG SER A 85 0.226 -15.074 8.149 1.00 0.00 O ATOM 0 H SER A 85 -1.021 -16.276 6.878 1.00 0.00 H new ATOM 0 HA SER A 85 -2.389 -13.777 6.587 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.186 -13.073 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.442 -13.996 8.691 1.00 0.00 H new ATOM 0 HG SER A 85 0.663 -14.917 9.012 1.00 0.00 H new ATOM 1268 N TYR A 86 -0.919 -12.322 5.150 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.229 -11.576 4.104 1.00 0.00 C ATOM 1270 C TYR A 86 -0.007 -10.126 4.524 1.00 0.00 C ATOM 1271 O TYR A 86 -0.952 -9.416 4.868 1.00 0.00 O ATOM 1272 CB TYR A 86 -1.030 -11.624 2.801 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.792 -12.878 1.991 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.305 -12.986 1.146 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.666 -13.956 2.071 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.526 -14.130 0.403 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.453 -15.105 1.332 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.356 -15.186 0.500 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.139 -16.328 -0.237 1.00 0.00 O ATOM 0 H TYR A 86 -1.650 -11.797 5.630 1.00 0.00 H new ATOM 0 HA TYR A 86 0.743 -12.041 3.943 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.092 -11.548 3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.774 -10.755 2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.998 -12.161 1.068 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.526 -13.895 2.721 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.384 -14.197 -0.250 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.141 -15.934 1.406 1.00 0.00 H new ATOM 0 HH TYR A 86 0.823 -16.449 -0.377 1.00 0.00 H new ATOM 1289 N VAL A 87 1.249 -9.694 4.493 1.00 0.00 N ATOM 1290 CA VAL A 87 1.597 -8.328 4.868 1.00 0.00 C ATOM 1291 C VAL A 87 1.470 -7.382 3.680 1.00 0.00 C ATOM 1292 O VAL A 87 2.316 -7.373 2.786 1.00 0.00 O ATOM 1293 CB VAL A 87 3.031 -8.247 5.423 1.00 0.00 C ATOM 1294 CG1 VAL A 87 4.025 -8.815 4.421 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.383 -6.811 5.781 1.00 0.00 C ATOM 0 H VAL A 87 2.043 -10.270 4.212 1.00 0.00 H new ATOM 0 HA VAL A 87 0.896 -8.025 5.646 1.00 0.00 H new ATOM 0 HB VAL A 87 3.085 -8.847 6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.033 -8.749 4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.783 -9.858 4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.973 -8.245 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.400 -6.772 6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.312 -6.186 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.689 -6.444 6.538 1.00 0.00 H new ATOM 1305 N PHE A 88 0.406 -6.586 3.676 1.00 0.00 N ATOM 1306 CA PHE A 88 0.166 -5.635 2.597 1.00 0.00 C ATOM 1307 C PHE A 88 0.783 -4.277 2.921 1.00 0.00 C ATOM 1308 O PHE A 88 0.403 -3.627 3.895 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.336 -5.479 2.350 1.00 0.00 C ATOM 1310 CG PHE A 88 -1.950 -6.647 1.634 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.272 -7.807 2.321 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.206 -6.587 0.273 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -2.836 -8.884 1.664 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -2.771 -7.660 -0.389 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.087 -8.810 0.308 1.00 0.00 C ATOM 0 H PHE A 88 -0.304 -6.581 4.408 1.00 0.00 H new ATOM 0 HA PHE A 88 0.637 -6.023 1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.841 -5.343 3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.508 -4.574 1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.080 -7.870 3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.961 -5.690 -0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.080 -9.783 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.965 -7.600 -1.450 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.530 -9.650 -0.207 1.00 0.00 H new ATOM 1325 N ARG A 89 1.738 -3.856 2.098 1.00 0.00 N ATOM 1326 CA ARG A 89 2.410 -2.578 2.297 1.00 0.00 C ATOM 1327 C ARG A 89 2.107 -1.620 1.148 1.00 0.00 C ATOM 1328 O ARG A 89 2.710 -1.706 0.079 1.00 0.00 O ATOM 1329 CB ARG A 89 3.920 -2.784 2.418 1.00 0.00 C ATOM 1330 CG ARG A 89 4.338 -3.482 3.703 1.00 0.00 C ATOM 1331 CD ARG A 89 5.825 -3.310 3.971 1.00 0.00 C ATOM 1332 NE ARG A 89 6.359 -4.386 4.802 1.00 0.00 N ATOM 1333 CZ ARG A 89 7.649 -4.700 4.859 1.00 0.00 C ATOM 1334 NH1 ARG A 89 8.532 -4.023 4.138 1.00 0.00 N ATOM 1335 NH2 ARG A 89 8.057 -5.692 5.640 1.00 0.00 N ATOM 0 H ARG A 89 2.064 -4.382 1.287 1.00 0.00 H new ATOM 0 HA ARG A 89 2.035 -2.140 3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.268 -3.369 1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.416 -1.815 2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.767 -3.079 4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.099 -4.543 3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.363 -3.282 3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.996 -2.353 4.463 1.00 0.00 H new ATOM 0 HE ARG A 89 5.706 -4.926 5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.222 -3.259 3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.522 -4.266 4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.380 -6.214 6.197 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.047 -5.933 5.683 1.00 0.00 H new ATOM 1349 N VAL A 90 1.169 -0.706 1.378 1.00 0.00 N ATOM 1350 CA VAL A 90 0.786 0.268 0.363 1.00 0.00 C ATOM 1351 C VAL A 90 1.742 1.456 0.354 1.00 0.00 C ATOM 1352 O VAL A 90 2.051 2.025 1.401 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.649 0.780 0.589 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.922 2.002 -0.275 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.658 -0.322 0.303 1.00 0.00 C ATOM 0 H VAL A 90 0.661 -0.620 2.258 1.00 0.00 H new ATOM 0 HA VAL A 90 0.834 -0.242 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.752 1.073 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.940 2.350 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.219 2.794 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.802 1.739 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.667 0.057 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.557 -0.648 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.474 -1.165 0.968 1.00 0.00 H new ATOM 1365 N ARG A 91 2.207 1.825 -0.835 1.00 0.00 N ATOM 1366 CA ARG A 91 3.129 2.945 -0.981 1.00 0.00 C ATOM 1367 C ARG A 91 2.688 3.868 -2.114 1.00 0.00 C ATOM 1368 O ARG A 91 1.928 3.466 -2.994 1.00 0.00 O ATOM 1369 CB ARG A 91 4.547 2.435 -1.247 1.00 0.00 C ATOM 1370 CG ARG A 91 5.584 3.542 -1.341 1.00 0.00 C ATOM 1371 CD ARG A 91 6.962 2.987 -1.670 1.00 0.00 C ATOM 1372 NE ARG A 91 8.030 3.804 -1.101 1.00 0.00 N ATOM 1373 CZ ARG A 91 9.276 3.372 -0.935 1.00 0.00 C ATOM 1374 NH1 ARG A 91 9.607 2.140 -1.294 1.00 0.00 N ATOM 1375 NH2 ARG A 91 10.193 4.175 -0.411 1.00 0.00 N ATOM 0 H ARG A 91 1.960 1.365 -1.711 1.00 0.00 H new ATOM 0 HA ARG A 91 3.123 3.512 -0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.832 1.748 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.551 1.865 -2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.286 4.257 -2.108 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.625 4.085 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.043 1.969 -1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.083 2.934 -2.752 1.00 0.00 H new ATOM 0 HE ARG A 91 7.808 4.758 -0.815 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.905 1.521 -1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.564 1.811 -1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.942 5.124 -0.135 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.149 3.843 -0.284 1.00 0.00 H new ATOM 1389 N ALA A 92 3.171 5.106 -2.083 1.00 0.00 N ATOM 1390 CA ALA A 92 2.828 6.085 -3.107 1.00 0.00 C ATOM 1391 C ALA A 92 4.066 6.525 -3.881 1.00 0.00 C ATOM 1392 O ALA A 92 5.193 6.343 -3.422 1.00 0.00 O ATOM 1393 CB ALA A 92 2.141 7.287 -2.478 1.00 0.00 C ATOM 0 H ALA A 92 3.801 5.454 -1.360 1.00 0.00 H new ATOM 0 HA ALA A 92 2.140 5.615 -3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.890 8.010 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.229 6.963 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.810 7.750 -1.753 1.00 0.00 H new ATOM 1399 N GLN A 93 3.848 7.105 -5.057 1.00 0.00 N ATOM 1400 CA GLN A 93 4.947 7.570 -5.895 1.00 0.00 C ATOM 1401 C GLN A 93 4.644 8.947 -6.475 1.00 0.00 C ATOM 1402 O GLN A 93 3.585 9.164 -7.065 1.00 0.00 O ATOM 1403 CB GLN A 93 5.211 6.574 -7.025 1.00 0.00 C ATOM 1404 CG GLN A 93 6.253 7.051 -8.025 1.00 0.00 C ATOM 1405 CD GLN A 93 6.088 6.411 -9.389 1.00 0.00 C ATOM 1406 OE1 GLN A 93 5.306 6.880 -10.217 1.00 0.00 O ATOM 1407 NE2 GLN A 93 6.825 5.333 -9.631 1.00 0.00 N ATOM 0 H GLN A 93 2.921 7.264 -5.451 1.00 0.00 H new ATOM 0 HA GLN A 93 5.838 7.647 -5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.539 5.628 -6.595 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.277 6.378 -7.551 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.186 8.134 -8.126 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.248 6.828 -7.641 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.460 4.978 -8.916 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.756 4.860 -10.532 1.00 0.00 H new ATOM 1416 N SER A 94 5.579 9.875 -6.304 1.00 0.00 N ATOM 1417 CA SER A 94 5.411 11.234 -6.807 1.00 0.00 C ATOM 1418 C SER A 94 6.591 11.638 -7.685 1.00 0.00 C ATOM 1419 O SER A 94 7.618 10.962 -7.711 1.00 0.00 O ATOM 1420 CB SER A 94 5.264 12.217 -5.644 1.00 0.00 C ATOM 1421 OG SER A 94 6.510 12.442 -5.007 1.00 0.00 O ATOM 0 H SER A 94 6.462 9.711 -5.820 1.00 0.00 H new ATOM 0 HA SER A 94 4.505 11.262 -7.412 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.863 13.162 -6.011 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.548 11.826 -4.921 1.00 0.00 H new ATOM 0 HG SER A 94 6.489 13.304 -4.542 1.00 0.00 H new ATOM 1427 N GLN A 95 6.435 12.747 -8.401 1.00 0.00 N ATOM 1428 CA GLN A 95 7.487 13.242 -9.281 1.00 0.00 C ATOM 1429 C GLN A 95 8.863 13.025 -8.659 1.00 0.00 C ATOM 1430 O GLN A 95 9.800 12.605 -9.337 1.00 0.00 O ATOM 1431 CB GLN A 95 7.277 14.728 -9.576 1.00 0.00 C ATOM 1432 CG GLN A 95 8.165 15.259 -10.689 1.00 0.00 C ATOM 1433 CD GLN A 95 8.042 14.455 -11.968 1.00 0.00 C ATOM 1434 OE1 GLN A 95 9.035 13.961 -12.504 1.00 0.00 O ATOM 1435 NE2 GLN A 95 6.818 14.317 -12.466 1.00 0.00 N ATOM 0 H GLN A 95 5.591 13.319 -8.389 1.00 0.00 H new ATOM 0 HA GLN A 95 7.438 12.683 -10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.234 14.892 -9.845 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.466 15.300 -8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.905 16.298 -10.891 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.203 15.249 -10.356 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.023 14.743 -11.990 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.674 13.785 -13.324 1.00 0.00 H new ATOM 1444 N GLU A 96 8.976 13.314 -7.367 1.00 0.00 N ATOM 1445 CA GLU A 96 10.238 13.151 -6.656 1.00 0.00 C ATOM 1446 C GLU A 96 10.657 11.684 -6.620 1.00 0.00 C ATOM 1447 O GLU A 96 11.701 11.313 -7.154 1.00 0.00 O ATOM 1448 CB GLU A 96 10.120 13.694 -5.230 1.00 0.00 C ATOM 1449 CG GLU A 96 10.327 15.196 -5.131 1.00 0.00 C ATOM 1450 CD GLU A 96 11.793 15.583 -5.123 1.00 0.00 C ATOM 1451 OE1 GLU A 96 12.488 15.256 -4.139 1.00 0.00 O ATOM 1452 OE2 GLU A 96 12.245 16.214 -6.101 1.00 0.00 O ATOM 0 H GLU A 96 8.209 13.662 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 96 11.002 13.716 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.135 13.445 -4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.852 13.192 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.831 15.684 -5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.852 15.565 -4.222 1.00 0.00 H new ATOM 1459 N GLY A 97 9.834 10.855 -5.986 1.00 0.00 N ATOM 1460 CA GLY A 97 10.136 9.439 -5.891 1.00 0.00 C ATOM 1461 C GLY A 97 9.195 8.707 -4.954 1.00 0.00 C ATOM 1462 O GLY A 97 8.208 9.275 -4.487 1.00 0.00 O ATOM 0 H GLY A 97 8.963 11.139 -5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.077 8.991 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.161 9.312 -5.544 1.00 0.00 H new ATOM 1466 N TRP A 98 9.501 7.444 -4.679 1.00 0.00 N ATOM 1467 CA TRP A 98 8.674 6.633 -3.793 1.00 0.00 C ATOM 1468 C TRP A 98 8.820 7.088 -2.345 1.00 0.00 C ATOM 1469 O TRP A 98 9.913 7.057 -1.782 1.00 0.00 O ATOM 1470 CB TRP A 98 9.053 5.156 -3.917 1.00 0.00 C ATOM 1471 CG TRP A 98 8.675 4.555 -5.237 1.00 0.00 C ATOM 1472 CD1 TRP A 98 9.496 4.348 -6.308 1.00 0.00 C ATOM 1473 CD2 TRP A 98 7.380 4.086 -5.625 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.789 3.778 -7.339 1.00 0.00 N ATOM 1475 CE2 TRP A 98 7.489 3.606 -6.945 1.00 0.00 C ATOM 1476 CE3 TRP A 98 6.139 4.022 -4.986 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 6.403 3.072 -7.635 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 5.062 3.492 -5.672 1.00 0.00 C ATOM 1479 CH2 TRP A 98 5.200 3.022 -6.985 1.00 0.00 C ATOM 0 H TRP A 98 10.315 6.960 -5.057 1.00 0.00 H new ATOM 0 HA TRP A 98 7.633 6.760 -4.091 1.00 0.00 H new ATOM 0 HB2 TRP A 98 10.128 5.051 -3.772 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.568 4.595 -3.118 1.00 0.00 H new ATOM 0 HD1 TRP A 98 10.547 4.596 -6.340 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.171 3.524 -8.250 1.00 0.00 H new ATOM 0 HE3 TRP A 98 6.023 4.380 -3.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.507 2.710 -8.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.098 3.439 -5.188 1.00 0.00 H new ATOM 0 HH2 TRP A 98 4.340 2.612 -7.494 1.00 0.00 H new ATOM 1490 N GLY A 99 7.710 7.510 -1.747 1.00 0.00 N ATOM 1491 CA GLY A 99 7.737 7.966 -0.369 1.00 0.00 C ATOM 1492 C GLY A 99 7.701 6.819 0.621 1.00 0.00 C ATOM 1493 O GLY A 99 8.411 5.826 0.457 1.00 0.00 O ATOM 0 H GLY A 99 6.793 7.544 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.637 8.558 -0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.886 8.623 -0.190 1.00 0.00 H new ATOM 1497 N ARG A 100 6.874 6.955 1.653 1.00 0.00 N ATOM 1498 CA ARG A 100 6.752 5.923 2.675 1.00 0.00 C ATOM 1499 C ARG A 100 5.582 4.991 2.369 1.00 0.00 C ATOM 1500 O ARG A 100 4.846 5.200 1.406 1.00 0.00 O ATOM 1501 CB ARG A 100 6.564 6.560 4.053 1.00 0.00 C ATOM 1502 CG ARG A 100 7.869 6.951 4.727 1.00 0.00 C ATOM 1503 CD ARG A 100 8.456 5.792 5.518 1.00 0.00 C ATOM 1504 NE ARG A 100 7.983 5.778 6.900 1.00 0.00 N ATOM 1505 CZ ARG A 100 8.497 6.537 7.861 1.00 0.00 C ATOM 1506 NH1 ARG A 100 9.496 7.367 7.591 1.00 0.00 N ATOM 1507 NH2 ARG A 100 8.013 6.468 9.094 1.00 0.00 N ATOM 0 H ARG A 100 6.279 7.770 1.803 1.00 0.00 H new ATOM 0 HA ARG A 100 7.671 5.337 2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.938 7.446 3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.028 5.862 4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.585 7.278 3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.697 7.797 5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.191 4.852 5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.544 5.860 5.508 1.00 0.00 H new ATOM 0 HE ARG A 100 7.216 5.151 7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.871 7.423 6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.889 7.949 8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.245 5.831 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.409 7.052 9.831 1.00 0.00 H new ATOM 1521 N GLU A 101 5.419 3.963 3.197 1.00 0.00 N ATOM 1522 CA GLU A 101 4.340 3.000 3.013 1.00 0.00 C ATOM 1523 C GLU A 101 3.733 2.601 4.355 1.00 0.00 C ATOM 1524 O GLU A 101 4.349 2.783 5.406 1.00 0.00 O ATOM 1525 CB GLU A 101 4.855 1.757 2.284 1.00 0.00 C ATOM 1526 CG GLU A 101 5.719 0.856 3.152 1.00 0.00 C ATOM 1527 CD GLU A 101 4.931 0.182 4.258 1.00 0.00 C ATOM 1528 OE1 GLU A 101 3.828 -0.330 3.974 1.00 0.00 O ATOM 1529 OE2 GLU A 101 5.418 0.167 5.408 1.00 0.00 O ATOM 0 H GLU A 101 6.020 3.776 4.000 1.00 0.00 H new ATOM 0 HA GLU A 101 3.565 3.472 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.004 1.184 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.431 2.070 1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.185 0.094 2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.524 1.445 3.591 1.00 0.00 H new ATOM 1536 N ARG A 102 2.522 2.057 4.311 1.00 0.00 N ATOM 1537 CA ARG A 102 1.830 1.634 5.523 1.00 0.00 C ATOM 1538 C ARG A 102 1.666 0.117 5.554 1.00 0.00 C ATOM 1539 O ARG A 102 1.404 -0.509 4.528 1.00 0.00 O ATOM 1540 CB ARG A 102 0.459 2.307 5.615 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.359 1.862 6.816 1.00 0.00 C ATOM 1542 CD ARG A 102 -0.100 2.746 8.025 1.00 0.00 C ATOM 1543 NE ARG A 102 1.158 2.412 8.688 1.00 0.00 N ATOM 1544 CZ ARG A 102 1.706 3.156 9.642 1.00 0.00 C ATOM 1545 NH1 ARG A 102 1.110 4.270 10.043 1.00 0.00 N ATOM 1546 NH2 ARG A 102 2.853 2.786 10.197 1.00 0.00 N ATOM 0 H ARG A 102 1.999 1.899 3.450 1.00 0.00 H new ATOM 0 HA ARG A 102 2.433 1.935 6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.596 3.387 5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.102 2.095 4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.419 1.888 6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.115 0.828 7.061 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.079 3.790 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.922 2.641 8.733 1.00 0.00 H new ATOM 0 HE ARG A 102 1.642 1.561 8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.228 4.558 9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.533 4.839 10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.315 1.929 9.891 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.273 3.358 10.930 1.00 0.00 H new ATOM 1560 N GLU A 103 1.824 -0.466 6.739 1.00 0.00 N ATOM 1561 CA GLU A 103 1.696 -1.909 6.902 1.00 0.00 C ATOM 1562 C GLU A 103 0.242 -2.301 7.154 1.00 0.00 C ATOM 1563 O GLU A 103 -0.481 -1.614 7.874 1.00 0.00 O ATOM 1564 CB GLU A 103 2.574 -2.394 8.058 1.00 0.00 C ATOM 1565 CG GLU A 103 2.906 -3.875 7.990 1.00 0.00 C ATOM 1566 CD GLU A 103 3.160 -4.479 9.357 1.00 0.00 C ATOM 1567 OE1 GLU A 103 2.341 -4.244 10.270 1.00 0.00 O ATOM 1568 OE2 GLU A 103 4.177 -5.187 9.514 1.00 0.00 O ATOM 0 H GLU A 103 2.041 0.039 7.599 1.00 0.00 H new ATOM 0 HA GLU A 103 2.028 -2.384 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.502 -1.822 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.067 -2.187 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.084 -4.406 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.787 -4.018 7.364 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.178 -3.410 6.555 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.542 -3.874 6.725 1.00 0.00 C ATOM 1577 C GLY A 104 -1.676 -5.371 6.523 1.00 0.00 C ATOM 1578 O GLY A 104 -2.006 -5.829 5.429 1.00 0.00 O ATOM 0 H GLY A 104 0.402 -3.996 5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.889 -3.613 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.189 -3.356 6.018 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.416 -6.135 7.579 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.508 -7.588 7.512 1.00 0.00 C ATOM 1584 C VAL A 105 -2.962 -8.047 7.493 1.00 0.00 C ATOM 1585 O VAL A 105 -3.845 -7.365 8.015 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.788 -8.252 8.701 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -0.981 -9.760 8.668 1.00 0.00 C ATOM 1588 CG2 VAL A 105 0.691 -7.894 8.694 1.00 0.00 C ATOM 0 H VAL A 105 -1.140 -5.772 8.491 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.021 -7.893 6.585 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.225 -7.875 9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.465 -10.211 9.516 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.044 -9.992 8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.572 -10.159 7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.185 -8.371 9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.145 -8.241 7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.804 -6.813 8.771 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.204 -9.205 6.890 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.551 -9.756 6.804 1.00 0.00 C ATOM 1600 C ILE A 106 -4.538 -11.270 6.980 1.00 0.00 C ATOM 1601 O ILE A 106 -3.583 -11.944 6.591 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.215 -9.412 5.458 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.690 -9.820 5.473 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.482 -10.097 4.315 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.568 -8.885 6.275 1.00 0.00 C ATOM 0 H ILE A 106 -2.484 -9.781 6.453 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.129 -9.304 7.610 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.157 -8.334 5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.058 -9.860 4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.776 -10.827 5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.963 -9.844 3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.445 -9.762 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.511 -11.177 4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.599 -9.236 6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.226 -8.863 7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.512 -7.882 5.853 1.00 0.00 H new ATOM 1617 N THR A 107 -5.606 -11.802 7.567 1.00 0.00 N ATOM 1618 CA THR A 107 -5.719 -13.237 7.793 1.00 0.00 C ATOM 1619 C THR A 107 -6.929 -13.815 7.069 1.00 0.00 C ATOM 1620 O THR A 107 -8.072 -13.527 7.425 1.00 0.00 O ATOM 1621 CB THR A 107 -5.830 -13.562 9.295 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.650 -13.126 9.979 1.00 0.00 O ATOM 1623 CG2 THR A 107 -6.027 -15.054 9.513 1.00 0.00 C ATOM 0 H THR A 107 -6.405 -11.260 7.895 1.00 0.00 H new ATOM 0 HA THR A 107 -4.811 -13.691 7.396 1.00 0.00 H new ATOM 0 HB THR A 107 -6.697 -13.036 9.695 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.729 -13.335 10.933 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.103 -15.259 10.581 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.942 -15.377 9.016 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.178 -15.597 9.099 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.671 -14.631 6.053 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.740 -15.250 5.280 1.00 0.00 C ATOM 1633 C ILE A 108 -8.597 -16.158 6.156 1.00 0.00 C ATOM 1634 O ILE A 108 -8.141 -17.206 6.611 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.182 -16.070 4.102 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.269 -15.201 3.235 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.319 -16.647 3.272 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.010 -14.136 2.456 1.00 0.00 C ATOM 0 H ILE A 108 -5.730 -14.879 5.746 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.355 -14.440 4.888 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.594 -16.897 4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.525 -14.722 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.728 -15.840 2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.908 -17.224 2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.933 -17.296 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.932 -15.835 2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.300 -13.558 1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.735 -14.608 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.529 -13.473 3.149 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.840 -15.748 6.387 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.761 -16.526 7.208 1.00 0.00 C ATOM 1652 C GLU A 109 -11.977 -16.962 6.396 1.00 0.00 C ATOM 1653 O GLU A 109 -12.798 -16.137 5.996 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.210 -15.710 8.422 1.00 0.00 C ATOM 1655 CG GLU A 109 -10.243 -15.779 9.592 1.00 0.00 C ATOM 1656 CD GLU A 109 -10.661 -14.889 10.747 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -10.309 -13.690 10.727 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -11.337 -15.389 11.669 1.00 0.00 O ATOM 0 H GLU A 109 -10.233 -14.882 6.018 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.237 -17.418 7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.333 -14.669 8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.187 -16.066 8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.172 -16.810 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.249 -15.487 9.254 1.00 0.00 H new ATOM 1665 N SER A 110 -12.085 -18.265 6.157 1.00 0.00 N ATOM 1666 CA SER A 110 -13.198 -18.812 5.390 1.00 0.00 C ATOM 1667 C SER A 110 -14.206 -19.497 6.308 1.00 0.00 C ATOM 1668 O SER A 110 -15.404 -19.226 6.243 1.00 0.00 O ATOM 1669 CB SER A 110 -12.686 -19.805 4.345 1.00 0.00 C ATOM 1670 OG SER A 110 -13.580 -19.900 3.250 1.00 0.00 O ATOM 0 H SER A 110 -11.415 -18.962 6.483 1.00 0.00 H new ATOM 0 HA SER A 110 -13.697 -17.987 4.882 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.704 -19.491 3.991 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.561 -20.786 4.802 1.00 0.00 H new ATOM 0 HG SER A 110 -13.229 -20.540 2.596 1.00 0.00 H new ATOM 1676 N GLN A 111 -13.709 -20.387 7.162 1.00 0.00 N ATOM 1677 CA GLN A 111 -14.566 -21.112 8.093 1.00 0.00 C ATOM 1678 C GLN A 111 -15.032 -20.203 9.225 1.00 0.00 C ATOM 1679 O GLN A 111 -14.267 -19.884 10.135 1.00 0.00 O ATOM 1680 CB GLN A 111 -13.824 -22.321 8.666 1.00 0.00 C ATOM 1681 CG GLN A 111 -14.579 -23.025 9.782 1.00 0.00 C ATOM 1682 CD GLN A 111 -14.115 -24.453 9.989 1.00 0.00 C ATOM 1683 OE1 GLN A 111 -14.254 -25.298 9.104 1.00 0.00 O ATOM 1684 NE2 GLN A 111 -13.560 -24.732 11.163 1.00 0.00 N ATOM 0 H GLN A 111 -12.719 -20.623 7.228 1.00 0.00 H new ATOM 0 HA GLN A 111 -15.443 -21.458 7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -13.632 -23.033 7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -12.854 -21.996 9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -14.452 -22.467 10.710 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -15.645 -23.023 9.552 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -13.464 -24.001 11.868 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -13.229 -25.677 11.359 1.00 0.00 H new ATOM 1693 N VAL A 112 -16.293 -19.787 9.162 1.00 0.00 N ATOM 1694 CA VAL A 112 -16.862 -18.915 10.182 1.00 0.00 C ATOM 1695 C VAL A 112 -18.196 -19.455 10.687 1.00 0.00 C ATOM 1696 O VAL A 112 -19.211 -19.375 9.996 1.00 0.00 O ATOM 1697 CB VAL A 112 -17.070 -17.486 9.646 1.00 0.00 C ATOM 1698 CG1 VAL A 112 -17.706 -16.603 10.710 1.00 0.00 C ATOM 1699 CG2 VAL A 112 -15.750 -16.897 9.173 1.00 0.00 C ATOM 0 H VAL A 112 -16.940 -20.040 8.415 1.00 0.00 H new ATOM 0 HA VAL A 112 -16.150 -18.887 11.006 1.00 0.00 H new ATOM 0 HB VAL A 112 -17.748 -17.532 8.793 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -17.845 -15.597 10.313 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -18.673 -17.017 10.996 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -17.056 -16.561 11.584 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -15.916 -15.887 8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -15.047 -16.864 10.006 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -15.339 -17.517 8.376 1.00 0.00 H new ATOM 1709 N SER A 113 -18.185 -20.007 11.896 1.00 0.00 N ATOM 1710 CA SER A 113 -19.393 -20.564 12.493 1.00 0.00 C ATOM 1711 C SER A 113 -20.086 -19.534 13.379 1.00 0.00 C ATOM 1712 O SER A 113 -19.491 -19.002 14.314 1.00 0.00 O ATOM 1713 CB SER A 113 -19.054 -21.812 13.311 1.00 0.00 C ATOM 1714 OG SER A 113 -20.192 -22.292 14.005 1.00 0.00 O ATOM 0 H SER A 113 -17.353 -20.080 12.481 1.00 0.00 H new ATOM 0 HA SER A 113 -20.073 -20.840 11.687 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.672 -22.591 12.651 1.00 0.00 H new ATOM 0 HB3 SER A 113 -18.261 -21.580 14.022 1.00 0.00 H new ATOM 0 HG SER A 113 -19.949 -23.091 14.519 1.00 0.00 H new ATOM 1720 N GLY A 114 -21.351 -19.258 13.076 1.00 0.00 N ATOM 1721 CA GLY A 114 -22.107 -18.293 13.853 1.00 0.00 C ATOM 1722 C GLY A 114 -21.293 -17.060 14.195 1.00 0.00 C ATOM 1723 O GLY A 114 -20.248 -16.796 13.601 1.00 0.00 O ATOM 0 H GLY A 114 -21.866 -19.686 12.306 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -22.994 -17.996 13.294 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -22.453 -18.763 14.773 1.00 0.00 H new ATOM 1727 N PRO A 115 -21.777 -16.280 15.173 1.00 0.00 N ATOM 1728 CA PRO A 115 -21.104 -15.054 15.614 1.00 0.00 C ATOM 1729 C PRO A 115 -19.802 -15.342 16.354 1.00 0.00 C ATOM 1730 O PRO A 115 -18.988 -14.444 16.570 1.00 0.00 O ATOM 1731 CB PRO A 115 -22.123 -14.409 16.556 1.00 0.00 C ATOM 1732 CG PRO A 115 -22.950 -15.544 17.054 1.00 0.00 C ATOM 1733 CD PRO A 115 -23.018 -16.534 15.924 1.00 0.00 C ATOM 0 HA PRO A 115 -20.819 -14.420 14.774 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -21.629 -13.889 17.377 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -22.734 -13.673 16.034 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -22.502 -15.994 17.940 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -23.947 -15.206 17.337 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -23.063 -17.560 16.290 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -23.901 -16.377 15.305 1.00 0.00 H new ATOM 1741 N SER A 116 -19.611 -16.600 16.738 1.00 0.00 N ATOM 1742 CA SER A 116 -18.409 -17.005 17.457 1.00 0.00 C ATOM 1743 C SER A 116 -17.166 -16.799 16.597 1.00 0.00 C ATOM 1744 O SER A 116 -16.906 -17.566 15.669 1.00 0.00 O ATOM 1745 CB SER A 116 -18.512 -18.472 17.881 1.00 0.00 C ATOM 1746 OG SER A 116 -19.208 -18.600 19.109 1.00 0.00 O ATOM 0 H SER A 116 -20.273 -17.356 16.563 1.00 0.00 H new ATOM 0 HA SER A 116 -18.321 -16.382 18.347 1.00 0.00 H new ATOM 0 HB2 SER A 116 -19.026 -19.042 17.107 1.00 0.00 H new ATOM 0 HB3 SER A 116 -17.513 -18.896 17.980 1.00 0.00 H new ATOM 0 HG SER A 116 -19.262 -19.546 19.357 1.00 0.00 H new ATOM 1752 N SER A 117 -16.402 -15.759 16.911 1.00 0.00 N ATOM 1753 CA SER A 117 -15.188 -15.448 16.165 1.00 0.00 C ATOM 1754 C SER A 117 -14.192 -16.602 16.244 1.00 0.00 C ATOM 1755 O SER A 117 -14.262 -17.437 17.144 1.00 0.00 O ATOM 1756 CB SER A 117 -14.546 -14.168 16.704 1.00 0.00 C ATOM 1757 OG SER A 117 -13.617 -13.634 15.777 1.00 0.00 O ATOM 0 H SER A 117 -16.602 -15.116 17.678 1.00 0.00 H new ATOM 0 HA SER A 117 -15.461 -15.297 15.121 1.00 0.00 H new ATOM 0 HB2 SER A 117 -15.320 -13.430 16.914 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.043 -14.379 17.647 1.00 0.00 H new ATOM 0 HG SER A 117 -13.222 -12.816 16.144 1.00 0.00 H new ATOM 1763 N GLY A 118 -13.264 -16.640 15.292 1.00 0.00 N ATOM 1764 CA GLY A 118 -12.267 -17.694 15.270 1.00 0.00 C ATOM 1765 C GLY A 118 -11.554 -17.845 16.599 1.00 0.00 C ATOM 1766 O GLY A 118 -10.970 -16.889 17.110 1.00 0.00 O ATOM 0 H GLY A 118 -13.185 -15.960 14.536 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -12.746 -18.638 15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -11.535 -17.482 14.491 1.00 0.00 H new TER 1770 GLY A 118