USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 509 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 Single : A 1 SER N :NH3+ -169:sc= 0 (180deg=-0.129) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 67:sc= 0.346 USER MOD Single : A 8 CYS SG : rot 77:sc= 0.959 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0167 K(o=-0.017,f=-1) USER MOD Single : A 32 THR OG1 : rot 170:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.16) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.376 USER MOD Single : A 48 SER OG : rot -23:sc= 0.891 USER MOD Single : A 50 THR OG1 : rot -22:sc= 0.829 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.477 K(o=0.48,f=-6.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -156:sc= -0.175 (180deg=-0.365) USER MOD Single : A 65 MET CE :methyl -167:sc= -0.0729 (180deg=-0.33) USER MOD Single : A 67 ASN : amide:sc=-0.00819 K(o=-0.0082,f=-0.94) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.963 0.712 5.677 1.00 0.00 N ATOM 2 CA SER A 1 -14.737 -0.017 5.371 1.00 0.00 C ATOM 3 C SER A 1 -13.508 0.856 5.589 1.00 0.00 C ATOM 4 O SER A 1 -12.488 0.392 6.097 1.00 0.00 O ATOM 5 CB SER A 1 -14.776 -0.527 3.943 1.00 0.00 C ATOM 6 OG SER A 1 -15.852 -1.396 3.724 1.00 0.00 O ATOM 0 H1 SER A 1 -16.764 0.049 5.701 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.869 1.176 6.603 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.131 1.431 4.945 1.00 0.00 H new ATOM 0 HA SER A 1 -14.669 -0.867 6.050 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.848 0.318 3.258 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.842 -1.042 3.717 1.00 0.00 H new ATOM 0 HG SER A 1 -15.842 -1.700 2.793 1.00 0.00 H new ATOM 14 N GLU A 2 -13.612 2.123 5.203 1.00 0.00 N ATOM 15 CA GLU A 2 -12.476 3.034 5.250 1.00 0.00 C ATOM 16 C GLU A 2 -11.956 3.196 6.672 1.00 0.00 C ATOM 17 O GLU A 2 -10.765 3.412 6.888 1.00 0.00 O ATOM 18 CB GLU A 2 -12.857 4.398 4.671 1.00 0.00 C ATOM 19 CG GLU A 2 -13.097 4.399 3.168 1.00 0.00 C ATOM 20 CD GLU A 2 -13.574 5.744 2.692 1.00 0.00 C ATOM 21 OE1 GLU A 2 -13.773 6.607 3.513 1.00 0.00 O ATOM 22 OE2 GLU A 2 -13.633 5.944 1.502 1.00 0.00 O ATOM 0 H GLU A 2 -14.474 2.542 4.854 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.680 2.602 4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.759 4.752 5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.065 5.111 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.175 4.133 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.835 3.638 2.915 1.00 0.00 H new ATOM 29 N GLU A 3 -12.860 3.090 7.642 1.00 0.00 N ATOM 30 CA GLU A 3 -12.485 3.164 9.049 1.00 0.00 C ATOM 31 C GLU A 3 -11.597 1.991 9.445 1.00 0.00 C ATOM 32 O GLU A 3 -10.698 2.133 10.273 1.00 0.00 O ATOM 33 CB GLU A 3 -13.733 3.201 9.933 1.00 0.00 C ATOM 34 CG GLU A 3 -14.528 4.497 9.847 1.00 0.00 C ATOM 35 CD GLU A 3 -15.792 4.418 10.654 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.065 3.374 11.196 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.429 5.431 10.824 1.00 0.00 O ATOM 0 H GLU A 3 -13.857 2.953 7.478 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.919 4.084 9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.384 2.371 9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.434 3.041 10.969 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.917 5.325 10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.772 4.708 8.806 1.00 0.00 H new ATOM 44 N GLU A 4 -11.857 0.832 8.851 1.00 0.00 N ATOM 45 CA GLU A 4 -11.035 -0.350 9.084 1.00 0.00 C ATOM 46 C GLU A 4 -9.741 -0.288 8.284 1.00 0.00 C ATOM 47 O GLU A 4 -8.719 -0.838 8.695 1.00 0.00 O ATOM 48 CB GLU A 4 -11.811 -1.621 8.730 1.00 0.00 C ATOM 49 CG GLU A 4 -13.000 -1.905 9.638 1.00 0.00 C ATOM 50 CD GLU A 4 -13.742 -3.136 9.197 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.342 -3.731 8.225 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.640 -3.545 9.895 1.00 0.00 O ATOM 0 H GLU A 4 -12.631 0.685 8.204 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.780 -0.374 10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.165 -1.542 7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.129 -2.471 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.654 -2.034 10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.676 -1.050 9.634 1.00 0.00 H new ATOM 59 N LEU A 5 -9.790 0.386 7.140 1.00 0.00 N ATOM 60 CA LEU A 5 -8.613 0.545 6.294 1.00 0.00 C ATOM 61 C LEU A 5 -7.637 1.551 6.889 1.00 0.00 C ATOM 62 O LEU A 5 -6.439 1.510 6.607 1.00 0.00 O ATOM 63 CB LEU A 5 -9.031 0.978 4.882 1.00 0.00 C ATOM 64 CG LEU A 5 -9.883 -0.040 4.113 1.00 0.00 C ATOM 65 CD1 LEU A 5 -10.265 0.524 2.751 1.00 0.00 C ATOM 66 CD2 LEU A 5 -9.110 -1.341 3.961 1.00 0.00 C ATOM 0 H LEU A 5 -10.633 0.831 6.777 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.106 -0.418 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.588 1.912 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.132 1.187 4.302 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.799 -0.241 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.870 -0.205 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.837 1.442 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.362 0.739 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.717 -2.063 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.187 -1.154 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.872 -1.740 4.947 1.00 0.00 H new ATOM 78 N SER A 6 -8.156 2.453 7.716 1.00 0.00 N ATOM 79 CA SER A 6 -7.314 3.347 8.500 1.00 0.00 C ATOM 80 C SER A 6 -6.474 2.570 9.507 1.00 0.00 C ATOM 81 O SER A 6 -5.320 2.913 9.763 1.00 0.00 O ATOM 82 CB SER A 6 -8.167 4.380 9.210 1.00 0.00 C ATOM 83 OG SER A 6 -8.794 5.252 8.309 1.00 0.00 O ATOM 0 H SER A 6 -9.157 2.584 7.860 1.00 0.00 H new ATOM 0 HA SER A 6 -6.634 3.857 7.818 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.923 3.875 9.811 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.545 4.954 9.897 1.00 0.00 H new ATOM 0 HG SER A 6 -9.449 4.756 7.775 1.00 0.00 H new ATOM 89 N GLU A 7 -7.061 1.522 10.076 1.00 0.00 N ATOM 90 CA GLU A 7 -6.340 0.643 10.990 1.00 0.00 C ATOM 91 C GLU A 7 -5.298 -0.185 10.250 1.00 0.00 C ATOM 92 O GLU A 7 -4.177 -0.358 10.725 1.00 0.00 O ATOM 93 CB GLU A 7 -7.316 -0.275 11.728 1.00 0.00 C ATOM 94 CG GLU A 7 -8.215 0.437 12.728 1.00 0.00 C ATOM 95 CD GLU A 7 -9.235 -0.502 13.311 1.00 0.00 C ATOM 96 OE1 GLU A 7 -9.278 -1.634 12.895 1.00 0.00 O ATOM 97 OE2 GLU A 7 -9.895 -0.122 14.250 1.00 0.00 O ATOM 0 H GLU A 7 -8.035 1.261 9.920 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.823 1.268 11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.941 -0.785 10.995 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.748 -1.043 12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.608 0.861 13.528 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.721 1.268 12.238 1.00 0.00 H new ATOM 104 N CYS A 8 -5.676 -0.696 9.083 1.00 0.00 N ATOM 105 CA CYS A 8 -4.749 -1.437 8.235 1.00 0.00 C ATOM 106 C CYS A 8 -3.569 -0.568 7.818 1.00 0.00 C ATOM 107 O CYS A 8 -2.425 -1.023 7.808 1.00 0.00 O ATOM 108 CB CYS A 8 -5.612 -1.791 7.023 1.00 0.00 C ATOM 109 SG CYS A 8 -6.943 -2.967 7.368 1.00 0.00 S ATOM 0 H CYS A 8 -6.619 -0.611 8.703 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.313 -2.304 8.731 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.048 -0.875 6.623 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.971 -2.205 6.245 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.919 -2.354 7.969 1.00 0.00 H new ATOM 115 N PHE A 9 -3.855 0.683 7.476 1.00 0.00 N ATOM 116 CA PHE A 9 -2.808 1.644 7.146 1.00 0.00 C ATOM 117 C PHE A 9 -1.764 1.723 8.252 1.00 0.00 C ATOM 118 O PHE A 9 -0.562 1.684 7.987 1.00 0.00 O ATOM 119 CB PHE A 9 -3.413 3.026 6.894 1.00 0.00 C ATOM 120 CG PHE A 9 -2.407 4.062 6.479 1.00 0.00 C ATOM 121 CD1 PHE A 9 -1.673 4.757 7.429 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.191 4.342 5.139 1.00 0.00 C ATOM 123 CE1 PHE A 9 -0.748 5.710 7.050 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.265 5.294 4.756 1.00 0.00 C ATOM 125 CZ PHE A 9 -0.543 5.978 5.711 1.00 0.00 C ATOM 0 H PHE A 9 -4.803 1.056 7.420 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.314 1.301 6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.175 2.943 6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.915 3.363 7.801 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.827 4.550 8.478 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.753 3.810 4.385 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.185 6.245 7.800 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.107 5.502 3.708 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.181 6.722 5.412 1.00 0.00 H new ATOM 135 N ARG A 10 -2.229 1.832 9.491 1.00 0.00 N ATOM 136 CA ARG A 10 -1.336 1.935 10.639 1.00 0.00 C ATOM 137 C ARG A 10 -0.535 0.653 10.829 1.00 0.00 C ATOM 138 O ARG A 10 0.614 0.688 11.272 1.00 0.00 O ATOM 139 CB ARG A 10 -2.077 2.322 11.910 1.00 0.00 C ATOM 140 CG ARG A 10 -2.611 3.745 11.930 1.00 0.00 C ATOM 141 CD ARG A 10 -3.430 4.075 13.125 1.00 0.00 C ATOM 142 NE ARG A 10 -3.961 5.428 13.136 1.00 0.00 N ATOM 143 CZ ARG A 10 -4.824 5.904 14.055 1.00 0.00 C ATOM 144 NH1 ARG A 10 -5.285 5.132 15.014 1.00 0.00 N ATOM 145 NH2 ARG A 10 -5.216 7.162 13.953 1.00 0.00 N ATOM 0 H ARG A 10 -3.221 1.851 9.727 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.633 2.741 10.427 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.911 1.634 12.051 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.407 2.189 12.759 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.770 4.437 11.878 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.213 3.907 11.036 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.260 3.372 13.186 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.822 3.929 14.018 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.659 6.062 12.396 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.990 4.157 15.070 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.938 5.508 15.702 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.866 7.745 13.193 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.869 7.550 14.634 1.00 0.00 H new ATOM 159 N ILE A 11 -1.146 -0.477 10.491 1.00 0.00 N ATOM 160 CA ILE A 11 -0.468 -1.765 10.563 1.00 0.00 C ATOM 161 C ILE A 11 0.691 -1.834 9.577 1.00 0.00 C ATOM 162 O ILE A 11 1.761 -2.352 9.897 1.00 0.00 O ATOM 163 CB ILE A 11 -1.436 -2.929 10.283 1.00 0.00 C ATOM 164 CG1 ILE A 11 -2.442 -3.074 11.428 1.00 0.00 C ATOM 165 CG2 ILE A 11 -0.666 -4.226 10.081 1.00 0.00 C ATOM 166 CD1 ILE A 11 -3.584 -4.017 11.123 1.00 0.00 C ATOM 0 H ILE A 11 -2.111 -0.527 10.164 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.083 -1.860 11.578 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.985 -2.710 9.367 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.919 -3.428 12.316 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.849 -2.092 11.668 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.366 -5.038 9.884 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.012 -4.118 9.234 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.092 -4.452 10.979 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.254 -4.067 11.981 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.134 -3.654 10.255 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.189 -5.011 10.913 1.00 0.00 H new ATOM 178 N PHE A 12 0.472 -1.307 8.377 1.00 0.00 N ATOM 179 CA PHE A 12 1.488 -1.333 7.331 1.00 0.00 C ATOM 180 C PHE A 12 2.536 -0.250 7.555 1.00 0.00 C ATOM 181 O PHE A 12 3.687 -0.392 7.144 1.00 0.00 O ATOM 182 CB PHE A 12 0.843 -1.165 5.955 1.00 0.00 C ATOM 183 CG PHE A 12 0.026 -2.349 5.520 1.00 0.00 C ATOM 184 CD1 PHE A 12 0.628 -3.573 5.270 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.347 -2.239 5.360 1.00 0.00 C ATOM 186 CE1 PHE A 12 -0.121 -4.661 4.869 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.101 -3.327 4.960 1.00 0.00 C ATOM 188 CZ PHE A 12 -1.488 -4.538 4.715 1.00 0.00 C ATOM 0 H PHE A 12 -0.401 -0.856 8.104 1.00 0.00 H new ATOM 0 HA PHE A 12 1.986 -2.302 7.372 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.206 -0.281 5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.625 -0.984 5.217 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.696 -3.676 5.391 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.833 -1.293 5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.362 -5.608 4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.170 -3.228 4.839 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.076 -5.389 4.403 1.00 0.00 H new ATOM 198 N ASP A 13 2.129 0.833 8.210 1.00 0.00 N ATOM 199 CA ASP A 13 3.047 1.915 8.544 1.00 0.00 C ATOM 200 C ASP A 13 3.930 1.543 9.729 1.00 0.00 C ATOM 201 O ASP A 13 3.667 1.945 10.862 1.00 0.00 O ATOM 202 CB ASP A 13 2.273 3.200 8.849 1.00 0.00 C ATOM 203 CG ASP A 13 3.151 4.422 9.087 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.345 4.307 8.946 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.614 5.490 9.253 1.00 0.00 O ATOM 0 H ASP A 13 1.169 0.984 8.520 1.00 0.00 H new ATOM 0 HA ASP A 13 3.689 2.085 7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.598 3.409 8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.653 3.036 9.730 1.00 0.00 H new ATOM 210 N LYS A 14 4.978 0.772 9.460 1.00 0.00 N ATOM 211 CA LYS A 14 5.885 0.319 10.508 1.00 0.00 C ATOM 212 C LYS A 14 6.602 1.493 11.162 1.00 0.00 C ATOM 213 O LYS A 14 6.780 1.524 12.380 1.00 0.00 O ATOM 214 CB LYS A 14 6.904 -0.672 9.944 1.00 0.00 C ATOM 215 CG LYS A 14 7.870 -1.239 10.976 1.00 0.00 C ATOM 216 CD LYS A 14 8.796 -2.274 10.357 1.00 0.00 C ATOM 217 CE LYS A 14 9.787 -2.813 11.379 1.00 0.00 C ATOM 218 NZ LYS A 14 10.720 -3.805 10.780 1.00 0.00 N ATOM 0 H LYS A 14 5.221 0.447 8.524 1.00 0.00 H new ATOM 0 HA LYS A 14 5.289 -0.183 11.270 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.368 -1.497 9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.478 -0.177 9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.461 -0.431 11.407 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.308 -1.693 11.792 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.206 -3.096 9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.337 -1.828 9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.359 -1.986 11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.243 -3.277 12.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.378 -4.147 11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.177 -4.607 10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.258 -3.356 10.012 1.00 0.00 H new ATOM 232 N ASP A 15 7.013 2.457 10.345 1.00 0.00 N ATOM 233 CA ASP A 15 7.748 3.615 10.837 1.00 0.00 C ATOM 234 C ASP A 15 6.893 4.450 11.780 1.00 0.00 C ATOM 235 O ASP A 15 7.378 4.949 12.797 1.00 0.00 O ATOM 236 CB ASP A 15 8.237 4.476 9.669 1.00 0.00 C ATOM 237 CG ASP A 15 9.390 3.871 8.881 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.972 2.921 9.350 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.579 4.258 7.752 1.00 0.00 O ATOM 0 H ASP A 15 6.849 2.459 9.338 1.00 0.00 H new ATOM 0 HA ASP A 15 8.611 3.250 11.393 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.403 4.653 8.990 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.547 5.447 10.054 1.00 0.00 H new ATOM 244 N GLY A 16 5.618 4.602 11.439 1.00 0.00 N ATOM 245 CA GLY A 16 4.687 5.360 12.265 1.00 0.00 C ATOM 246 C GLY A 16 4.756 6.848 11.948 1.00 0.00 C ATOM 247 O GLY A 16 4.502 7.689 12.811 1.00 0.00 O ATOM 0 H GLY A 16 5.205 4.209 10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.672 4.997 12.101 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.917 5.199 13.318 1.00 0.00 H new ATOM 251 N ASN A 17 5.100 7.168 10.706 1.00 0.00 N ATOM 252 CA ASN A 17 5.263 8.556 10.288 1.00 0.00 C ATOM 253 C ASN A 17 3.980 9.099 9.674 1.00 0.00 C ATOM 254 O ASN A 17 3.867 10.296 9.406 1.00 0.00 O ATOM 255 CB ASN A 17 6.418 8.712 9.317 1.00 0.00 C ATOM 256 CG ASN A 17 7.768 8.498 9.942 1.00 0.00 C ATOM 257 OD1 ASN A 17 7.962 8.726 11.141 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.721 8.141 9.119 1.00 0.00 N ATOM 0 H ASN A 17 5.272 6.484 9.969 1.00 0.00 H new ATOM 0 HA ASN A 17 5.491 9.137 11.182 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.290 8.004 8.498 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.383 9.711 8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.677 8.039 9.459 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.508 7.964 8.137 1.00 0.00 H new ATOM 265 N GLY A 18 3.014 8.214 9.453 1.00 0.00 N ATOM 266 CA GLY A 18 1.752 8.596 8.832 1.00 0.00 C ATOM 267 C GLY A 18 1.775 8.335 7.331 1.00 0.00 C ATOM 268 O GLY A 18 0.840 8.696 6.614 1.00 0.00 O ATOM 0 H GLY A 18 3.082 7.226 9.695 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.935 8.037 9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.558 9.652 9.017 1.00 0.00 H new ATOM 272 N PHE A 19 2.847 7.708 6.862 1.00 0.00 N ATOM 273 CA PHE A 19 2.977 7.364 5.450 1.00 0.00 C ATOM 274 C PHE A 19 3.487 5.939 5.275 1.00 0.00 C ATOM 275 O PHE A 19 4.252 5.438 6.099 1.00 0.00 O ATOM 276 CB PHE A 19 3.912 8.347 4.744 1.00 0.00 C ATOM 277 CG PHE A 19 3.373 9.748 4.671 1.00 0.00 C ATOM 278 CD1 PHE A 19 2.520 10.126 3.645 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.718 10.690 5.629 1.00 0.00 C ATOM 280 CE1 PHE A 19 2.025 11.415 3.575 1.00 0.00 C ATOM 281 CE2 PHE A 19 3.223 11.979 5.563 1.00 0.00 C ATOM 282 CZ PHE A 19 2.377 12.341 4.536 1.00 0.00 C ATOM 0 H PHE A 19 3.640 7.427 7.439 1.00 0.00 H new ATOM 0 HA PHE A 19 1.987 7.430 4.998 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.869 8.362 5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.105 7.988 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.239 9.405 2.892 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.381 10.413 6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.364 11.697 2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.499 12.703 6.316 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.990 13.348 4.484 1.00 0.00 H new ATOM 292 N ILE A 20 3.059 5.292 4.197 1.00 0.00 N ATOM 293 CA ILE A 20 3.573 3.974 3.840 1.00 0.00 C ATOM 294 C ILE A 20 4.492 4.051 2.628 1.00 0.00 C ATOM 295 O ILE A 20 4.075 4.467 1.546 1.00 0.00 O ATOM 296 CB ILE A 20 2.432 2.983 3.546 1.00 0.00 C ATOM 297 CG1 ILE A 20 1.542 2.811 4.779 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.994 1.642 3.099 1.00 0.00 C ATOM 299 CD1 ILE A 20 0.268 2.043 4.511 1.00 0.00 C ATOM 0 H ILE A 20 2.357 5.659 3.554 1.00 0.00 H new ATOM 0 HA ILE A 20 4.140 3.615 4.699 1.00 0.00 H new ATOM 0 HB ILE A 20 1.823 3.386 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.109 2.297 5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.286 3.795 5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.174 0.953 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.586 1.779 2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.625 1.231 3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.309 1.963 5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.321 2.567 3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.514 1.045 4.149 1.00 0.00 H new ATOM 311 N ASP A 21 5.744 3.649 2.815 1.00 0.00 N ATOM 312 CA ASP A 21 6.735 3.702 1.746 1.00 0.00 C ATOM 313 C ASP A 21 6.717 2.426 0.915 1.00 0.00 C ATOM 314 O ASP A 21 5.876 1.550 1.121 1.00 0.00 O ATOM 315 CB ASP A 21 8.133 3.936 2.321 1.00 0.00 C ATOM 316 CG ASP A 21 8.667 2.787 3.164 1.00 0.00 C ATOM 317 OD1 ASP A 21 8.088 1.728 3.125 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.733 2.927 3.715 1.00 0.00 O ATOM 0 H ASP A 21 6.098 3.282 3.699 1.00 0.00 H new ATOM 0 HA ASP A 21 6.477 4.537 1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.825 4.119 1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.115 4.840 2.930 1.00 0.00 H new ATOM 323 N ARG A 22 7.651 2.325 -0.025 1.00 0.00 N ATOM 324 CA ARG A 22 7.657 1.226 -0.983 1.00 0.00 C ATOM 325 C ARG A 22 7.891 -0.110 -0.289 1.00 0.00 C ATOM 326 O ARG A 22 7.246 -1.107 -0.608 1.00 0.00 O ATOM 327 CB ARG A 22 8.657 1.451 -2.108 1.00 0.00 C ATOM 328 CG ARG A 22 8.609 0.419 -3.223 1.00 0.00 C ATOM 329 CD ARG A 22 9.619 0.625 -4.293 1.00 0.00 C ATOM 330 NE ARG A 22 10.996 0.421 -3.870 1.00 0.00 N ATOM 331 CZ ARG A 22 11.605 -0.779 -3.802 1.00 0.00 C ATOM 332 NH1 ARG A 22 10.956 -1.886 -4.090 1.00 0.00 N ATOM 333 NH2 ARG A 22 12.867 -0.816 -3.415 1.00 0.00 N ATOM 0 H ARG A 22 8.414 2.992 -0.144 1.00 0.00 H new ATOM 0 HA ARG A 22 6.668 1.196 -1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.482 2.437 -2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.662 1.461 -1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.752 -0.572 -2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.615 0.431 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.401 -0.055 -5.117 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.518 1.639 -4.681 1.00 0.00 H new ATOM 0 HE ARG A 22 11.538 1.244 -3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.976 -1.845 -4.370 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.433 -2.786 -4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.353 0.049 -3.178 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.356 -1.709 -3.353 1.00 0.00 H new ATOM 347 N GLU A 23 8.818 -0.121 0.663 1.00 0.00 N ATOM 348 CA GLU A 23 9.196 -1.351 1.349 1.00 0.00 C ATOM 349 C GLU A 23 8.036 -1.908 2.163 1.00 0.00 C ATOM 350 O GLU A 23 7.803 -3.117 2.185 1.00 0.00 O ATOM 351 CB GLU A 23 10.405 -1.109 2.255 1.00 0.00 C ATOM 352 CG GLU A 23 11.711 -0.868 1.510 1.00 0.00 C ATOM 353 CD GLU A 23 12.826 -0.529 2.459 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.568 -0.418 3.634 1.00 0.00 O ATOM 355 OE2 GLU A 23 13.955 -0.493 2.028 1.00 0.00 O ATOM 0 H GLU A 23 9.322 0.709 0.977 1.00 0.00 H new ATOM 0 HA GLU A 23 9.463 -2.086 0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.200 -0.248 2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.529 -1.970 2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.975 -1.757 0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.580 -0.056 0.795 1.00 0.00 H new ATOM 362 N GLU A 24 7.308 -1.019 2.830 1.00 0.00 N ATOM 363 CA GLU A 24 6.133 -1.413 3.599 1.00 0.00 C ATOM 364 C GLU A 24 4.943 -1.685 2.688 1.00 0.00 C ATOM 365 O GLU A 24 4.082 -2.506 3.004 1.00 0.00 O ATOM 366 CB GLU A 24 5.776 -0.333 4.623 1.00 0.00 C ATOM 367 CG GLU A 24 6.793 -0.167 5.743 1.00 0.00 C ATOM 368 CD GLU A 24 7.029 -1.466 6.463 1.00 0.00 C ATOM 369 OE1 GLU A 24 6.074 -2.068 6.892 1.00 0.00 O ATOM 370 OE2 GLU A 24 8.151 -1.912 6.488 1.00 0.00 O ATOM 0 H GLU A 24 7.511 -0.020 2.854 1.00 0.00 H new ATOM 0 HA GLU A 24 6.375 -2.335 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.666 0.620 4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.807 -0.571 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.734 0.200 5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.440 0.584 6.450 1.00 0.00 H new ATOM 377 N PHE A 25 4.901 -0.991 1.557 1.00 0.00 N ATOM 378 CA PHE A 25 3.846 -1.196 0.571 1.00 0.00 C ATOM 379 C PHE A 25 3.862 -2.622 0.037 1.00 0.00 C ATOM 380 O PHE A 25 2.814 -3.195 -0.263 1.00 0.00 O ATOM 381 CB PHE A 25 3.991 -0.201 -0.582 1.00 0.00 C ATOM 382 CG PHE A 25 2.877 -0.271 -1.587 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.688 0.408 -1.375 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.016 -1.020 -2.747 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.662 0.344 -2.300 1.00 0.00 C ATOM 386 CE2 PHE A 25 1.993 -1.086 -3.673 1.00 0.00 C ATOM 387 CZ PHE A 25 0.815 -0.403 -3.449 1.00 0.00 C ATOM 0 H PHE A 25 5.586 -0.280 1.299 1.00 0.00 H new ATOM 0 HA PHE A 25 2.889 -1.028 1.066 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.037 0.809 -0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.938 -0.383 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.561 0.994 -0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.935 -1.558 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.259 0.879 -2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.115 -1.672 -4.572 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.014 -0.453 -4.172 1.00 0.00 H new ATOM 397 N GLY A 26 5.056 -3.192 -0.080 1.00 0.00 N ATOM 398 CA GLY A 26 5.212 -4.547 -0.597 1.00 0.00 C ATOM 399 C GLY A 26 4.299 -5.523 0.134 1.00 0.00 C ATOM 400 O GLY A 26 3.759 -6.451 -0.469 1.00 0.00 O ATOM 0 H GLY A 26 5.932 -2.736 0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.985 -4.561 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.249 -4.864 -0.488 1.00 0.00 H new ATOM 404 N ASP A 27 4.130 -5.309 1.433 1.00 0.00 N ATOM 405 CA ASP A 27 3.280 -6.169 2.248 1.00 0.00 C ATOM 406 C ASP A 27 1.817 -6.039 1.842 1.00 0.00 C ATOM 407 O ASP A 27 1.057 -7.007 1.906 1.00 0.00 O ATOM 408 CB ASP A 27 3.444 -5.835 3.733 1.00 0.00 C ATOM 409 CG ASP A 27 4.764 -6.293 4.337 1.00 0.00 C ATOM 410 OD1 ASP A 27 5.451 -7.059 3.704 1.00 0.00 O ATOM 411 OD2 ASP A 27 5.148 -5.758 5.349 1.00 0.00 O ATOM 0 H ASP A 27 4.571 -4.546 1.946 1.00 0.00 H new ATOM 0 HA ASP A 27 3.592 -7.200 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.354 -4.757 3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.626 -6.293 4.289 1.00 0.00 H new ATOM 416 N ILE A 28 1.427 -4.840 1.425 1.00 0.00 N ATOM 417 CA ILE A 28 0.044 -4.571 1.051 1.00 0.00 C ATOM 418 C ILE A 28 -0.385 -5.429 -0.131 1.00 0.00 C ATOM 419 O ILE A 28 -1.472 -6.006 -0.131 1.00 0.00 O ATOM 420 CB ILE A 28 -0.168 -3.087 0.699 1.00 0.00 C ATOM 421 CG1 ILE A 28 0.027 -2.210 1.939 1.00 0.00 C ATOM 422 CG2 ILE A 28 -1.551 -2.873 0.105 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.113 -0.732 1.636 1.00 0.00 C ATOM 0 H ILE A 28 2.050 -4.037 1.337 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.569 -4.821 1.917 1.00 0.00 H new ATOM 0 HB ILE A 28 0.574 -2.799 -0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.800 -2.382 2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.938 -2.520 2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.684 -1.819 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.654 -3.470 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.308 -3.177 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.251 -0.178 2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.958 -0.545 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.807 -0.406 1.152 1.00 0.00 H new ATOM 435 N ILE A 29 0.478 -5.511 -1.140 1.00 0.00 N ATOM 436 CA ILE A 29 0.165 -6.253 -2.356 1.00 0.00 C ATOM 437 C ILE A 29 0.553 -7.721 -2.220 1.00 0.00 C ATOM 438 O ILE A 29 -0.069 -8.594 -2.824 1.00 0.00 O ATOM 439 CB ILE A 29 0.880 -5.655 -3.582 1.00 0.00 C ATOM 440 CG1 ILE A 29 0.497 -4.183 -3.757 1.00 0.00 C ATOM 441 CG2 ILE A 29 0.542 -6.449 -4.834 1.00 0.00 C ATOM 442 CD1 ILE A 29 -0.991 -3.950 -3.883 1.00 0.00 C ATOM 0 H ILE A 29 1.399 -5.073 -1.139 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.912 -6.177 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 29 1.956 -5.714 -3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.873 -3.616 -2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.993 -3.791 -4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.055 -6.013 -5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.862 -7.483 -4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.534 -6.421 -5.003 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.183 -2.884 -4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.371 -4.488 -4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.493 -4.310 -2.985 1.00 0.00 H new ATOM 454 N ARG A 30 1.582 -7.984 -1.423 1.00 0.00 N ATOM 455 CA ARG A 30 2.054 -9.346 -1.206 1.00 0.00 C ATOM 456 C ARG A 30 0.912 -10.265 -0.791 1.00 0.00 C ATOM 457 O ARG A 30 0.889 -11.443 -1.148 1.00 0.00 O ATOM 458 CB ARG A 30 3.205 -9.404 -0.212 1.00 0.00 C ATOM 459 CG ARG A 30 3.748 -10.798 0.056 1.00 0.00 C ATOM 460 CD ARG A 30 4.943 -10.831 0.939 1.00 0.00 C ATOM 461 NE ARG A 30 5.382 -12.166 1.311 1.00 0.00 N ATOM 462 CZ ARG A 30 6.412 -12.430 2.138 1.00 0.00 C ATOM 463 NH1 ARG A 30 7.134 -11.459 2.651 1.00 0.00 N ATOM 464 NH2 ARG A 30 6.692 -13.695 2.401 1.00 0.00 N ATOM 0 H ARG A 30 2.106 -7.271 -0.916 1.00 0.00 H new ATOM 0 HA ARG A 30 2.443 -9.705 -2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.017 -8.778 -0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.873 -8.971 0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.960 -11.401 0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.001 -11.265 -0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.764 -10.319 0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.724 -10.268 1.847 1.00 0.00 H new ATOM 0 HE ARG A 30 4.874 -12.959 0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.918 -10.488 2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.911 -11.676 3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.134 -14.439 1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.466 -13.927 3.023 1.00 0.00 H new ATOM 478 N LEU A 31 -0.033 -9.720 -0.033 1.00 0.00 N ATOM 479 CA LEU A 31 -1.164 -10.498 0.459 1.00 0.00 C ATOM 480 C LEU A 31 -1.982 -11.070 -0.692 1.00 0.00 C ATOM 481 O LEU A 31 -2.517 -12.175 -0.596 1.00 0.00 O ATOM 482 CB LEU A 31 -2.051 -9.631 1.363 1.00 0.00 C ATOM 483 CG LEU A 31 -1.425 -9.237 2.706 1.00 0.00 C ATOM 484 CD1 LEU A 31 -2.312 -8.226 3.419 1.00 0.00 C ATOM 485 CD2 LEU A 31 -1.231 -10.482 3.562 1.00 0.00 C ATOM 0 H LEU A 31 -0.038 -8.741 0.254 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.772 -11.333 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.315 -8.722 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.980 -10.168 1.557 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.453 -8.775 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.859 -7.952 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.420 -7.336 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.294 -8.665 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.786 -10.201 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.196 -10.957 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.572 -11.180 3.045 1.00 0.00 H new ATOM 497 N THR A 32 -2.073 -10.314 -1.781 1.00 0.00 N ATOM 498 CA THR A 32 -2.870 -10.721 -2.932 1.00 0.00 C ATOM 499 C THR A 32 -2.032 -10.736 -4.204 1.00 0.00 C ATOM 500 O THR A 32 -2.566 -10.816 -5.309 1.00 0.00 O ATOM 501 CB THR A 32 -4.081 -9.793 -3.137 1.00 0.00 C ATOM 502 OG1 THR A 32 -3.628 -8.445 -3.320 1.00 0.00 O ATOM 503 CG2 THR A 32 -5.010 -9.853 -1.934 1.00 0.00 C ATOM 0 H THR A 32 -1.604 -9.415 -1.890 1.00 0.00 H new ATOM 0 HA THR A 32 -3.229 -11.729 -2.725 1.00 0.00 H new ATOM 0 HB THR A 32 -4.627 -10.124 -4.021 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.378 -7.884 -3.609 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.860 -9.191 -2.097 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.366 -10.874 -1.800 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.470 -9.537 -1.041 1.00 0.00 H new ATOM 511 N GLY A 33 -0.716 -10.656 -4.041 1.00 0.00 N ATOM 512 CA GLY A 33 0.195 -10.608 -5.177 1.00 0.00 C ATOM 513 C GLY A 33 0.901 -11.942 -5.375 1.00 0.00 C ATOM 514 O GLY A 33 2.089 -11.987 -5.699 1.00 0.00 O ATOM 0 H GLY A 33 -0.256 -10.623 -3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.359 -10.349 -6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.934 -9.822 -5.020 1.00 0.00 H new ATOM 518 N GLU A 34 0.164 -13.030 -5.179 1.00 0.00 N ATOM 519 CA GLU A 34 0.727 -14.370 -5.303 1.00 0.00 C ATOM 520 C GLU A 34 1.222 -14.630 -6.719 1.00 0.00 C ATOM 521 O GLU A 34 2.195 -15.358 -6.924 1.00 0.00 O ATOM 522 CB GLU A 34 -0.308 -15.425 -4.906 1.00 0.00 C ATOM 523 CG GLU A 34 -0.637 -15.454 -3.419 1.00 0.00 C ATOM 524 CD GLU A 34 -1.745 -16.427 -3.124 1.00 0.00 C ATOM 525 OE1 GLU A 34 -2.275 -16.992 -4.050 1.00 0.00 O ATOM 526 OE2 GLU A 34 -1.985 -16.690 -1.969 1.00 0.00 O ATOM 0 H GLU A 34 -0.826 -13.010 -4.933 1.00 0.00 H new ATOM 0 HA GLU A 34 1.579 -14.437 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.226 -15.245 -5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.059 -16.407 -5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.253 -15.730 -2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.928 -14.457 -3.089 1.00 0.00 H new ATOM 533 N GLN A 35 0.549 -14.033 -7.696 1.00 0.00 N ATOM 534 CA GLN A 35 0.904 -14.220 -9.098 1.00 0.00 C ATOM 535 C GLN A 35 1.714 -13.042 -9.623 1.00 0.00 C ATOM 536 O GLN A 35 1.991 -12.950 -10.819 1.00 0.00 O ATOM 537 CB GLN A 35 -0.355 -14.402 -9.950 1.00 0.00 C ATOM 538 CG GLN A 35 -1.224 -15.577 -9.533 1.00 0.00 C ATOM 539 CD GLN A 35 -0.498 -16.903 -9.648 1.00 0.00 C ATOM 540 OE1 GLN A 35 0.141 -17.191 -10.663 1.00 0.00 O ATOM 541 NE2 GLN A 35 -0.595 -17.722 -8.607 1.00 0.00 N ATOM 0 H GLN A 35 -0.247 -13.414 -7.543 1.00 0.00 H new ATOM 0 HA GLN A 35 1.517 -15.119 -9.167 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.949 -13.489 -9.900 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.060 -14.534 -10.991 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.553 -15.434 -8.504 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.120 -15.601 -10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.134 -17.443 -7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.130 -18.630 -8.627 1.00 0.00 H new ATOM 550 N LEU A 36 2.090 -12.140 -8.722 1.00 0.00 N ATOM 551 CA LEU A 36 2.799 -10.925 -9.103 1.00 0.00 C ATOM 552 C LEU A 36 4.267 -10.995 -8.701 1.00 0.00 C ATOM 553 O LEU A 36 4.618 -11.627 -7.705 1.00 0.00 O ATOM 554 CB LEU A 36 2.130 -9.699 -8.471 1.00 0.00 C ATOM 555 CG LEU A 36 0.660 -9.486 -8.854 1.00 0.00 C ATOM 556 CD1 LEU A 36 0.097 -8.280 -8.117 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.550 -9.298 -10.361 1.00 0.00 C ATOM 0 H LEU A 36 1.915 -12.229 -7.721 1.00 0.00 H new ATOM 0 HA LEU A 36 2.752 -10.833 -10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.197 -9.787 -7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.695 -8.811 -8.754 1.00 0.00 H new ATOM 0 HG LEU A 36 0.079 -10.362 -8.566 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.947 -8.138 -8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.166 -8.446 -7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.668 -7.391 -8.384 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.494 -9.147 -10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.133 -8.428 -10.663 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.932 -10.185 -10.867 1.00 0.00 H new ATOM 569 N THR A 37 5.121 -10.342 -9.482 1.00 0.00 N ATOM 570 CA THR A 37 6.540 -10.250 -9.157 1.00 0.00 C ATOM 571 C THR A 37 6.829 -9.031 -8.290 1.00 0.00 C ATOM 572 O THR A 37 5.951 -8.197 -8.061 1.00 0.00 O ATOM 573 CB THR A 37 7.407 -10.180 -10.428 1.00 0.00 C ATOM 574 OG1 THR A 37 7.161 -8.944 -11.110 1.00 0.00 O ATOM 575 CG2 THR A 37 7.086 -11.341 -11.356 1.00 0.00 C ATOM 0 H THR A 37 4.855 -9.868 -10.345 1.00 0.00 H new ATOM 0 HA THR A 37 6.794 -11.154 -8.604 1.00 0.00 H new ATOM 0 HB THR A 37 8.456 -10.239 -10.138 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.714 -8.900 -11.918 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.708 -11.276 -12.249 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.285 -12.282 -10.843 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.035 -11.298 -11.642 1.00 0.00 H new ATOM 583 N ASP A 38 8.063 -8.931 -7.810 1.00 0.00 N ATOM 584 CA ASP A 38 8.504 -7.759 -7.064 1.00 0.00 C ATOM 585 C ASP A 38 8.434 -6.503 -7.921 1.00 0.00 C ATOM 586 O ASP A 38 8.128 -5.418 -7.426 1.00 0.00 O ATOM 587 CB ASP A 38 9.928 -7.960 -6.540 1.00 0.00 C ATOM 588 CG ASP A 38 10.040 -8.943 -5.383 1.00 0.00 C ATOM 589 OD1 ASP A 38 9.026 -9.296 -4.828 1.00 0.00 O ATOM 590 OD2 ASP A 38 11.114 -9.452 -5.164 1.00 0.00 O ATOM 0 H ASP A 38 8.778 -9.650 -7.925 1.00 0.00 H new ATOM 0 HA ASP A 38 7.831 -7.631 -6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.558 -8.308 -7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.324 -6.996 -6.221 1.00 0.00 H new ATOM 595 N GLU A 39 8.718 -6.655 -9.210 1.00 0.00 N ATOM 596 CA GLU A 39 8.624 -5.546 -10.153 1.00 0.00 C ATOM 597 C GLU A 39 7.174 -5.139 -10.381 1.00 0.00 C ATOM 598 O GLU A 39 6.863 -3.954 -10.501 1.00 0.00 O ATOM 599 CB GLU A 39 9.282 -5.916 -11.483 1.00 0.00 C ATOM 600 CG GLU A 39 10.799 -6.039 -11.422 1.00 0.00 C ATOM 601 CD GLU A 39 11.361 -6.513 -12.733 1.00 0.00 C ATOM 602 OE1 GLU A 39 10.593 -6.794 -13.621 1.00 0.00 O ATOM 603 OE2 GLU A 39 12.560 -6.486 -12.886 1.00 0.00 O ATOM 0 H GLU A 39 9.016 -7.537 -9.627 1.00 0.00 H new ATOM 0 HA GLU A 39 9.153 -4.696 -9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.867 -6.862 -11.829 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.020 -5.162 -12.226 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.234 -5.073 -11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.078 -6.735 -10.631 1.00 0.00 H new ATOM 610 N ASP A 40 6.289 -6.129 -10.440 1.00 0.00 N ATOM 611 CA ASP A 40 4.860 -5.872 -10.557 1.00 0.00 C ATOM 612 C ASP A 40 4.352 -5.035 -9.391 1.00 0.00 C ATOM 613 O ASP A 40 3.570 -4.102 -9.577 1.00 0.00 O ATOM 614 CB ASP A 40 4.082 -7.188 -10.637 1.00 0.00 C ATOM 615 CG ASP A 40 4.256 -7.944 -11.947 1.00 0.00 C ATOM 616 OD1 ASP A 40 4.710 -7.349 -12.897 1.00 0.00 O ATOM 617 OD2 ASP A 40 4.085 -9.139 -11.948 1.00 0.00 O ATOM 0 H ASP A 40 6.538 -7.118 -10.409 1.00 0.00 H new ATOM 0 HA ASP A 40 4.699 -5.309 -11.476 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.396 -7.832 -9.816 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.022 -6.979 -10.491 1.00 0.00 H new ATOM 622 N VAL A 41 4.800 -5.373 -8.187 1.00 0.00 N ATOM 623 CA VAL A 41 4.417 -4.634 -6.990 1.00 0.00 C ATOM 624 C VAL A 41 4.951 -3.208 -7.028 1.00 0.00 C ATOM 625 O VAL A 41 4.264 -2.267 -6.632 1.00 0.00 O ATOM 626 CB VAL A 41 4.922 -5.327 -5.710 1.00 0.00 C ATOM 627 CG1 VAL A 41 4.669 -4.449 -4.494 1.00 0.00 C ATOM 628 CG2 VAL A 41 4.250 -6.681 -5.538 1.00 0.00 C ATOM 0 H VAL A 41 5.430 -6.156 -8.014 1.00 0.00 H new ATOM 0 HA VAL A 41 3.327 -4.610 -6.972 1.00 0.00 H new ATOM 0 HB VAL A 41 5.996 -5.484 -5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.032 -4.954 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.194 -3.501 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.600 -4.262 -4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.618 -7.157 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.171 -6.545 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.479 -7.312 -6.396 1.00 0.00 H new ATOM 638 N ASP A 42 6.181 -3.056 -7.506 1.00 0.00 N ATOM 639 CA ASP A 42 6.798 -1.740 -7.628 1.00 0.00 C ATOM 640 C ASP A 42 6.044 -0.869 -8.626 1.00 0.00 C ATOM 641 O ASP A 42 5.916 0.340 -8.435 1.00 0.00 O ATOM 642 CB ASP A 42 8.263 -1.872 -8.048 1.00 0.00 C ATOM 643 CG ASP A 42 9.192 -2.364 -6.947 1.00 0.00 C ATOM 644 OD1 ASP A 42 8.782 -2.370 -5.810 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.239 -2.877 -7.265 1.00 0.00 O ATOM 0 H ASP A 42 6.771 -3.828 -7.816 1.00 0.00 H new ATOM 0 HA ASP A 42 6.752 -1.258 -6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.326 -2.558 -8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.616 -0.902 -8.398 1.00 0.00 H new ATOM 650 N GLU A 43 5.548 -1.491 -9.690 1.00 0.00 N ATOM 651 CA GLU A 43 4.725 -0.792 -10.671 1.00 0.00 C ATOM 652 C GLU A 43 3.389 -0.374 -10.072 1.00 0.00 C ATOM 653 O GLU A 43 2.892 0.719 -10.343 1.00 0.00 O ATOM 654 CB GLU A 43 4.498 -1.671 -11.902 1.00 0.00 C ATOM 655 CG GLU A 43 5.722 -1.839 -12.790 1.00 0.00 C ATOM 656 CD GLU A 43 5.460 -2.812 -13.906 1.00 0.00 C ATOM 657 OE1 GLU A 43 4.398 -3.386 -13.930 1.00 0.00 O ATOM 658 OE2 GLU A 43 6.274 -2.900 -14.794 1.00 0.00 O ATOM 0 H GLU A 43 5.701 -2.478 -9.895 1.00 0.00 H new ATOM 0 HA GLU A 43 5.259 0.109 -10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.165 -2.656 -11.574 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.690 -1.242 -12.495 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.007 -0.873 -13.207 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.563 -2.188 -12.191 1.00 0.00 H new ATOM 665 N ILE A 44 2.811 -1.250 -9.257 1.00 0.00 N ATOM 666 CA ILE A 44 1.578 -0.937 -8.546 1.00 0.00 C ATOM 667 C ILE A 44 1.784 0.206 -7.561 1.00 0.00 C ATOM 668 O ILE A 44 0.924 1.074 -7.414 1.00 0.00 O ATOM 669 CB ILE A 44 1.035 -2.163 -7.789 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.562 -3.234 -8.776 1.00 0.00 C ATOM 671 CG2 ILE A 44 -0.097 -1.756 -6.858 1.00 0.00 C ATOM 672 CD1 ILE A 44 0.288 -4.576 -8.137 1.00 0.00 C ATOM 0 H ILE A 44 3.178 -2.184 -9.073 1.00 0.00 H new ATOM 0 HA ILE A 44 0.850 -0.635 -9.299 1.00 0.00 H new ATOM 0 HB ILE A 44 1.841 -2.582 -7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.345 -2.885 -9.269 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.318 -3.359 -9.551 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.469 -2.635 -6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.271 -1.028 -6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.905 -1.313 -7.440 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.043 -5.281 -8.899 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.199 -4.949 -7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.490 -4.467 -7.382 1.00 0.00 H new ATOM 684 N PHE A 45 2.929 0.200 -6.888 1.00 0.00 N ATOM 685 CA PHE A 45 3.299 1.293 -5.997 1.00 0.00 C ATOM 686 C PHE A 45 3.325 2.624 -6.738 1.00 0.00 C ATOM 687 O PHE A 45 2.747 3.610 -6.282 1.00 0.00 O ATOM 688 CB PHE A 45 4.661 1.022 -5.355 1.00 0.00 C ATOM 689 CG PHE A 45 5.186 2.169 -4.538 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.693 2.416 -3.266 1.00 0.00 C ATOM 691 CD2 PHE A 45 6.172 3.004 -5.042 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.175 3.471 -2.513 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.656 4.058 -4.292 1.00 0.00 C ATOM 694 CZ PHE A 45 6.157 4.291 -3.027 1.00 0.00 C ATOM 0 H PHE A 45 3.618 -0.550 -6.943 1.00 0.00 H new ATOM 0 HA PHE A 45 2.544 1.355 -5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.583 0.141 -4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.381 0.787 -6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.924 1.777 -2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.566 2.828 -6.032 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.783 3.652 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.425 4.700 -4.696 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.535 5.115 -2.440 1.00 0.00 H new ATOM 704 N GLY A 46 3.998 2.645 -7.882 1.00 0.00 N ATOM 705 CA GLY A 46 4.097 3.854 -8.691 1.00 0.00 C ATOM 706 C GLY A 46 2.723 4.320 -9.154 1.00 0.00 C ATOM 707 O GLY A 46 2.454 5.520 -9.220 1.00 0.00 O ATOM 0 H GLY A 46 4.484 1.837 -8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.576 4.644 -8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.731 3.664 -9.557 1.00 0.00 H new ATOM 711 N ASP A 47 1.855 3.366 -9.473 1.00 0.00 N ATOM 712 CA ASP A 47 0.501 3.676 -9.913 1.00 0.00 C ATOM 713 C ASP A 47 -0.332 4.245 -8.771 1.00 0.00 C ATOM 714 O ASP A 47 -1.131 5.160 -8.968 1.00 0.00 O ATOM 715 CB ASP A 47 -0.177 2.430 -10.488 1.00 0.00 C ATOM 716 CG ASP A 47 0.336 2.012 -11.860 1.00 0.00 C ATOM 717 OD1 ASP A 47 1.025 2.790 -12.477 1.00 0.00 O ATOM 718 OD2 ASP A 47 0.168 0.869 -12.212 1.00 0.00 O ATOM 0 H ASP A 47 2.067 2.369 -9.435 1.00 0.00 H new ATOM 0 HA ASP A 47 0.571 4.432 -10.695 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.037 1.602 -9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.250 2.613 -10.555 1.00 0.00 H new ATOM 723 N SER A 48 -0.141 3.695 -7.576 1.00 0.00 N ATOM 724 CA SER A 48 -0.878 4.144 -6.400 1.00 0.00 C ATOM 725 C SER A 48 -0.317 5.456 -5.867 1.00 0.00 C ATOM 726 O SER A 48 -1.000 6.190 -5.154 1.00 0.00 O ATOM 727 CB SER A 48 -0.842 3.077 -5.323 1.00 0.00 C ATOM 728 OG SER A 48 0.449 2.886 -4.815 1.00 0.00 O ATOM 0 H SER A 48 0.518 2.938 -7.396 1.00 0.00 H new ATOM 0 HA SER A 48 -1.913 4.317 -6.693 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.513 3.359 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.213 2.137 -5.732 1.00 0.00 H new ATOM 0 HG SER A 48 1.108 3.183 -5.477 1.00 0.00 H new ATOM 734 N ASP A 49 0.932 5.745 -6.216 1.00 0.00 N ATOM 735 CA ASP A 49 1.557 7.012 -5.851 1.00 0.00 C ATOM 736 C ASP A 49 1.105 8.135 -6.776 1.00 0.00 C ATOM 737 O ASP A 49 1.855 8.573 -7.648 1.00 0.00 O ATOM 738 CB ASP A 49 3.082 6.886 -5.882 1.00 0.00 C ATOM 739 CG ASP A 49 3.824 8.110 -5.363 1.00 0.00 C ATOM 740 OD1 ASP A 49 3.186 8.985 -4.829 1.00 0.00 O ATOM 741 OD2 ASP A 49 5.032 8.092 -5.362 1.00 0.00 O ATOM 0 H ASP A 49 1.533 5.118 -6.752 1.00 0.00 H new ATOM 0 HA ASP A 49 1.243 7.259 -4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.375 6.020 -5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.398 6.692 -6.907 1.00 0.00 H new ATOM 746 N THR A 50 -0.124 8.599 -6.577 1.00 0.00 N ATOM 747 CA THR A 50 -0.715 9.603 -7.455 1.00 0.00 C ATOM 748 C THR A 50 -0.140 10.986 -7.175 1.00 0.00 C ATOM 749 O THR A 50 -0.135 11.855 -8.046 1.00 0.00 O ATOM 750 CB THR A 50 -2.246 9.654 -7.304 1.00 0.00 C ATOM 751 OG1 THR A 50 -2.585 10.054 -5.970 1.00 0.00 O ATOM 752 CG2 THR A 50 -2.857 8.291 -7.591 1.00 0.00 C ATOM 0 H THR A 50 -0.731 8.296 -5.815 1.00 0.00 H new ATOM 0 HA THR A 50 -0.470 9.311 -8.476 1.00 0.00 H new ATOM 0 HB THR A 50 -2.642 10.376 -8.019 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.829 9.874 -5.373 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.940 8.347 -7.479 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.612 7.990 -8.610 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.457 7.558 -6.890 1.00 0.00 H new ATOM 760 N ASP A 51 0.345 11.184 -5.953 1.00 0.00 N ATOM 761 CA ASP A 51 1.015 12.425 -5.587 1.00 0.00 C ATOM 762 C ASP A 51 2.459 12.436 -6.071 1.00 0.00 C ATOM 763 O ASP A 51 3.119 13.475 -6.063 1.00 0.00 O ATOM 764 CB ASP A 51 0.968 12.633 -4.071 1.00 0.00 C ATOM 765 CG ASP A 51 -0.403 13.020 -3.532 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.245 13.390 -4.314 1.00 0.00 O ATOM 767 OD2 ASP A 51 -0.647 12.793 -2.370 1.00 0.00 O ATOM 0 H ASP A 51 0.286 10.499 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 51 0.486 13.244 -6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.292 11.715 -3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.684 13.409 -3.800 1.00 0.00 H new ATOM 772 N LYS A 52 2.945 11.273 -6.494 1.00 0.00 N ATOM 773 CA LYS A 52 4.301 11.153 -7.015 1.00 0.00 C ATOM 774 C LYS A 52 5.323 11.678 -6.015 1.00 0.00 C ATOM 775 O LYS A 52 6.226 12.435 -6.375 1.00 0.00 O ATOM 776 CB LYS A 52 4.433 11.900 -8.343 1.00 0.00 C ATOM 777 CG LYS A 52 3.529 11.377 -9.451 1.00 0.00 C ATOM 778 CD LYS A 52 3.706 12.177 -10.734 1.00 0.00 C ATOM 779 CE LYS A 52 2.767 11.686 -11.826 1.00 0.00 C ATOM 780 NZ LYS A 52 2.865 12.517 -13.058 1.00 0.00 N ATOM 0 H LYS A 52 2.418 10.399 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 52 4.501 10.095 -7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.211 12.954 -8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.469 11.841 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.753 10.327 -9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.489 11.428 -9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.517 13.232 -10.536 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.738 12.097 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.002 10.649 -12.068 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.741 11.703 -11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.210 12.150 -13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.616 13.502 -12.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.838 12.481 -13.425 1.00 0.00 H new ATOM 794 N ASN A 53 5.176 11.273 -4.758 1.00 0.00 N ATOM 795 CA ASN A 53 6.010 11.795 -3.682 1.00 0.00 C ATOM 796 C ASN A 53 6.776 10.677 -2.987 1.00 0.00 C ATOM 797 O ASN A 53 7.507 10.916 -2.025 1.00 0.00 O ATOM 798 CB ASN A 53 5.189 12.575 -2.672 1.00 0.00 C ATOM 799 CG ASN A 53 4.157 11.746 -1.961 1.00 0.00 C ATOM 800 OD1 ASN A 53 4.030 10.539 -2.198 1.00 0.00 O ATOM 801 ND2 ASN A 53 3.366 12.402 -1.151 1.00 0.00 N ATOM 0 H ASN A 53 4.486 10.584 -4.459 1.00 0.00 H new ATOM 0 HA ASN A 53 6.730 12.477 -4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.860 13.015 -1.934 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.691 13.400 -3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.601 11.917 -0.681 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.514 13.398 -0.990 1.00 0.00 H new ATOM 808 N GLY A 54 6.606 9.455 -3.480 1.00 0.00 N ATOM 809 CA GLY A 54 7.342 8.309 -2.959 1.00 0.00 C ATOM 810 C GLY A 54 6.712 7.788 -1.674 1.00 0.00 C ATOM 811 O GLY A 54 7.293 6.951 -0.982 1.00 0.00 O ATOM 0 H GLY A 54 5.964 9.233 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.361 7.515 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.377 8.593 -2.770 1.00 0.00 H new ATOM 815 N ARG A 55 5.522 8.287 -1.358 1.00 0.00 N ATOM 816 CA ARG A 55 4.818 7.884 -0.147 1.00 0.00 C ATOM 817 C ARG A 55 3.344 7.624 -0.427 1.00 0.00 C ATOM 818 O ARG A 55 2.714 8.341 -1.205 1.00 0.00 O ATOM 819 CB ARG A 55 5.002 8.885 0.984 1.00 0.00 C ATOM 820 CG ARG A 55 6.426 9.007 1.505 1.00 0.00 C ATOM 821 CD ARG A 55 6.919 7.806 2.226 1.00 0.00 C ATOM 822 NE ARG A 55 8.238 7.958 2.818 1.00 0.00 N ATOM 823 CZ ARG A 55 9.399 7.745 2.167 1.00 0.00 C ATOM 824 NH1 ARG A 55 9.409 7.336 0.917 1.00 0.00 N ATOM 825 NH2 ARG A 55 10.528 7.937 2.825 1.00 0.00 N ATOM 0 H ARG A 55 5.024 8.973 -1.925 1.00 0.00 H new ATOM 0 HA ARG A 55 5.265 6.947 0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.671 9.865 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.351 8.601 1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.091 9.211 0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.483 9.866 2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.208 7.553 3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.940 6.965 1.533 1.00 0.00 H new ATOM 0 HE ARG A 55 8.289 8.246 3.795 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.530 7.175 0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.296 7.180 0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.506 8.238 3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.422 7.784 2.359 1.00 0.00 H new ATOM 839 N ILE A 56 2.797 6.595 0.212 1.00 0.00 N ATOM 840 CA ILE A 56 1.366 6.324 0.144 1.00 0.00 C ATOM 841 C ILE A 56 0.650 6.830 1.389 1.00 0.00 C ATOM 842 O ILE A 56 0.916 6.371 2.500 1.00 0.00 O ATOM 843 CB ILE A 56 1.084 4.819 -0.023 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.831 4.268 -1.241 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.410 4.570 -0.153 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.464 4.946 -2.541 1.00 0.00 C ATOM 0 H ILE A 56 3.324 5.935 0.783 1.00 0.00 H new ATOM 0 HA ILE A 56 0.987 6.854 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 56 1.442 4.298 0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.903 4.375 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.627 3.201 -1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.592 3.502 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.918 4.928 0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.793 5.101 -1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.034 4.501 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.398 4.817 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.695 6.009 -2.475 1.00 0.00 H new ATOM 858 N ASP A 57 -0.260 7.780 1.197 1.00 0.00 N ATOM 859 CA ASP A 57 -1.048 8.318 2.299 1.00 0.00 C ATOM 860 C ASP A 57 -2.376 7.583 2.437 1.00 0.00 C ATOM 861 O ASP A 57 -2.621 6.592 1.749 1.00 0.00 O ATOM 862 CB ASP A 57 -1.295 9.816 2.100 1.00 0.00 C ATOM 863 CG ASP A 57 -2.157 10.156 0.891 1.00 0.00 C ATOM 864 OD1 ASP A 57 -2.732 9.258 0.325 1.00 0.00 O ATOM 865 OD2 ASP A 57 -2.357 11.321 0.639 1.00 0.00 O ATOM 0 H ASP A 57 -0.469 8.193 0.288 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.480 8.171 3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.772 10.215 2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.334 10.320 1.999 1.00 0.00 H new ATOM 870 N PHE A 58 -3.228 8.075 3.329 1.00 0.00 N ATOM 871 CA PHE A 58 -4.475 7.392 3.654 1.00 0.00 C ATOM 872 C PHE A 58 -5.383 7.292 2.435 1.00 0.00 C ATOM 873 O PHE A 58 -6.023 6.266 2.209 1.00 0.00 O ATOM 874 CB PHE A 58 -5.199 8.114 4.793 1.00 0.00 C ATOM 875 CG PHE A 58 -4.701 7.743 6.160 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.214 6.638 6.824 1.00 0.00 C ATOM 877 CD2 PHE A 58 -3.718 8.495 6.785 1.00 0.00 C ATOM 878 CE1 PHE A 58 -4.759 6.295 8.082 1.00 0.00 C ATOM 879 CE2 PHE A 58 -3.259 8.153 8.043 1.00 0.00 C ATOM 880 CZ PHE A 58 -3.779 7.054 8.692 1.00 0.00 C ATOM 0 H PHE A 58 -3.078 8.945 3.840 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.227 6.381 3.977 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.089 9.190 4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.264 7.892 4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.978 6.039 6.351 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.306 9.358 6.283 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.169 5.434 8.589 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.492 8.747 8.518 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.421 6.787 9.675 1.00 0.00 H new ATOM 890 N ASP A 59 -5.436 8.365 1.654 1.00 0.00 N ATOM 891 CA ASP A 59 -6.308 8.421 0.487 1.00 0.00 C ATOM 892 C ASP A 59 -5.868 7.425 -0.579 1.00 0.00 C ATOM 893 O ASP A 59 -6.681 6.667 -1.107 1.00 0.00 O ATOM 894 CB ASP A 59 -6.335 9.837 -0.096 1.00 0.00 C ATOM 895 CG ASP A 59 -7.111 10.845 0.741 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.821 10.433 1.627 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.868 12.019 0.593 1.00 0.00 O ATOM 0 H ASP A 59 -4.884 9.209 1.808 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.314 8.152 0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.310 10.190 -0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.772 9.798 -1.094 1.00 0.00 H new ATOM 902 N GLU A 60 -4.576 7.432 -0.890 1.00 0.00 N ATOM 903 CA GLU A 60 -4.027 6.537 -1.902 1.00 0.00 C ATOM 904 C GLU A 60 -4.098 5.084 -1.450 1.00 0.00 C ATOM 905 O GLU A 60 -4.314 4.183 -2.260 1.00 0.00 O ATOM 906 CB GLU A 60 -2.580 6.918 -2.224 1.00 0.00 C ATOM 907 CG GLU A 60 -2.430 8.221 -2.996 1.00 0.00 C ATOM 908 CD GLU A 60 -0.985 8.616 -3.124 1.00 0.00 C ATOM 909 OE1 GLU A 60 -0.159 7.983 -2.512 1.00 0.00 O ATOM 910 OE2 GLU A 60 -0.693 9.478 -3.920 1.00 0.00 O ATOM 0 H GLU A 60 -3.889 8.048 -0.455 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.630 6.642 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.021 6.996 -1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.125 6.113 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.869 8.111 -3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.982 9.012 -2.489 1.00 0.00 H new ATOM 917 N PHE A 61 -3.916 4.864 -0.153 1.00 0.00 N ATOM 918 CA PHE A 61 -4.057 3.533 0.425 1.00 0.00 C ATOM 919 C PHE A 61 -5.480 3.012 0.266 1.00 0.00 C ATOM 920 O PHE A 61 -5.690 1.884 -0.180 1.00 0.00 O ATOM 921 CB PHE A 61 -3.665 3.549 1.904 1.00 0.00 C ATOM 922 CG PHE A 61 -3.823 2.220 2.587 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.848 1.242 2.467 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.949 1.946 3.349 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.993 0.019 3.096 1.00 0.00 C ATOM 926 CE2 PHE A 61 -5.096 0.725 3.979 1.00 0.00 C ATOM 927 CZ PHE A 61 -4.117 -0.239 3.851 1.00 0.00 C ATOM 0 H PHE A 61 -3.670 5.591 0.519 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.387 2.862 -0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.627 3.871 1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.274 4.289 2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.966 1.437 1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.720 2.696 3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.225 -0.734 2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.977 0.525 4.571 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.231 -1.194 4.342 1.00 0.00 H new ATOM 937 N LEU A 62 -6.452 3.839 0.632 1.00 0.00 N ATOM 938 CA LEU A 62 -7.858 3.467 0.521 1.00 0.00 C ATOM 939 C LEU A 62 -8.224 3.124 -0.918 1.00 0.00 C ATOM 940 O LEU A 62 -8.994 2.197 -1.168 1.00 0.00 O ATOM 941 CB LEU A 62 -8.749 4.600 1.042 1.00 0.00 C ATOM 942 CG LEU A 62 -9.214 4.448 2.497 1.00 0.00 C ATOM 943 CD1 LEU A 62 -8.084 3.886 3.349 1.00 0.00 C ATOM 944 CD2 LEU A 62 -9.671 5.798 3.029 1.00 0.00 C ATOM 0 H LEU A 62 -6.292 4.773 1.009 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.022 2.579 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.206 5.541 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.628 4.673 0.402 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.052 3.753 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.423 3.782 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.788 2.910 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.231 4.563 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.001 5.689 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.843 6.506 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.497 6.168 2.421 1.00 0.00 H new ATOM 956 N LYS A 63 -7.667 3.877 -1.860 1.00 0.00 N ATOM 957 CA LYS A 63 -7.916 3.639 -3.278 1.00 0.00 C ATOM 958 C LYS A 63 -7.258 2.347 -3.743 1.00 0.00 C ATOM 959 O LYS A 63 -7.813 1.617 -4.565 1.00 0.00 O ATOM 960 CB LYS A 63 -7.414 4.816 -4.115 1.00 0.00 C ATOM 961 CG LYS A 63 -8.231 6.093 -3.958 1.00 0.00 C ATOM 962 CD LYS A 63 -7.630 7.235 -4.764 1.00 0.00 C ATOM 963 CE LYS A 63 -8.402 8.529 -4.550 1.00 0.00 C ATOM 964 NZ LYS A 63 -7.800 9.666 -5.297 1.00 0.00 N ATOM 0 H LYS A 63 -7.040 4.658 -1.668 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.993 3.541 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.380 5.025 -3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.414 4.526 -5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.256 5.914 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.276 6.372 -2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.589 7.378 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.634 6.977 -5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.435 8.392 -4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.426 8.766 -3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.356 10.528 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.822 9.814 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.801 9.452 -6.315 1.00 0.00 H new ATOM 978 N MET A 64 -6.071 2.069 -3.213 1.00 0.00 N ATOM 979 CA MET A 64 -5.360 0.837 -3.532 1.00 0.00 C ATOM 980 C MET A 64 -6.114 -0.383 -3.021 1.00 0.00 C ATOM 981 O MET A 64 -6.228 -1.391 -3.718 1.00 0.00 O ATOM 982 CB MET A 64 -3.952 0.873 -2.940 1.00 0.00 C ATOM 983 CG MET A 64 -3.082 -0.319 -3.311 1.00 0.00 C ATOM 984 SD MET A 64 -2.561 -0.288 -5.038 1.00 0.00 S ATOM 985 CE MET A 64 -3.645 -1.526 -5.741 1.00 0.00 C ATOM 0 H MET A 64 -5.581 2.681 -2.560 1.00 0.00 H new ATOM 0 HA MET A 64 -5.289 0.759 -4.617 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.456 1.786 -3.270 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.029 0.927 -1.854 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.201 -0.334 -2.670 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.632 -1.240 -3.118 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.195 -1.931 -6.647 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.796 -2.329 -5.020 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.606 -1.072 -5.985 1.00 0.00 H new ATOM 995 N MET A 65 -6.632 -0.285 -1.801 1.00 0.00 N ATOM 996 CA MET A 65 -7.257 -1.424 -1.140 1.00 0.00 C ATOM 997 C MET A 65 -8.526 -1.854 -1.865 1.00 0.00 C ATOM 998 O MET A 65 -8.976 -2.991 -1.729 1.00 0.00 O ATOM 999 CB MET A 65 -7.571 -1.082 0.316 1.00 0.00 C ATOM 1000 CG MET A 65 -6.346 -0.959 1.211 1.00 0.00 C ATOM 1001 SD MET A 65 -5.391 -2.487 1.298 1.00 0.00 S ATOM 1002 CE MET A 65 -6.534 -3.551 2.175 1.00 0.00 C ATOM 0 H MET A 65 -6.631 0.573 -1.250 1.00 0.00 H new ATOM 0 HA MET A 65 -6.554 -2.257 -1.167 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.123 -0.143 0.345 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.228 -1.850 0.723 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.708 -0.157 0.839 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.662 -0.675 2.215 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.013 -4.448 2.509 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.935 -3.021 3.039 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.351 -3.833 1.511 1.00 0.00 H new ATOM 1012 N GLU A 66 -9.098 -0.937 -2.639 1.00 0.00 N ATOM 1013 CA GLU A 66 -10.266 -1.244 -3.454 1.00 0.00 C ATOM 1014 C GLU A 66 -9.943 -2.298 -4.505 1.00 0.00 C ATOM 1015 O GLU A 66 -10.818 -3.050 -4.934 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.799 0.024 -4.126 1.00 0.00 C ATOM 1017 CG GLU A 66 -11.486 0.997 -3.179 1.00 0.00 C ATOM 1018 CD GLU A 66 -11.905 2.251 -3.894 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -11.605 2.378 -5.057 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -12.622 3.031 -3.313 1.00 0.00 O ATOM 0 H GLU A 66 -8.770 0.026 -2.718 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.036 -1.645 -2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.971 0.536 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.503 -0.262 -4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.360 0.520 -2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.811 1.250 -2.362 1.00 0.00 H new ATOM 1027 N ASN A 67 -8.681 -2.347 -4.918 1.00 0.00 N ATOM 1028 CA ASN A 67 -8.236 -3.319 -5.908 1.00 0.00 C ATOM 1029 C ASN A 67 -7.570 -4.517 -5.242 1.00 0.00 C ATOM 1030 O ASN A 67 -7.041 -5.400 -5.918 1.00 0.00 O ATOM 1031 CB ASN A 67 -7.295 -2.691 -6.919 1.00 0.00 C ATOM 1032 CG ASN A 67 -7.962 -1.705 -7.836 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -9.161 -1.806 -8.124 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -7.176 -0.799 -8.360 1.00 0.00 N ATOM 0 H ASN A 67 -7.948 -1.723 -4.581 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.122 -3.667 -6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.487 -2.189 -6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.840 -3.480 -7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.546 -0.134 -9.039 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.194 -0.758 -8.089 1.00 0.00 H new ATOM 1041 N VAL A 68 -7.601 -4.542 -3.915 1.00 0.00 N ATOM 1042 CA VAL A 68 -7.032 -5.651 -3.157 1.00 0.00 C ATOM 1043 C VAL A 68 -8.117 -6.609 -2.684 1.00 0.00 C ATOM 1044 O VAL A 68 -9.057 -6.208 -1.998 1.00 0.00 O ATOM 1045 CB VAL A 68 -6.235 -5.151 -1.936 1.00 0.00 C ATOM 1046 CG1 VAL A 68 -5.732 -6.326 -1.111 1.00 0.00 C ATOM 1047 CG2 VAL A 68 -5.073 -4.276 -2.381 1.00 0.00 C ATOM 0 H VAL A 68 -8.014 -3.807 -3.341 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.356 -6.177 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.899 -4.552 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.171 -5.955 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.580 -6.916 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.084 -6.951 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.521 -3.932 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.409 -4.853 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.455 -3.416 -2.931 1.00 0.00 H new ATOM 1057 N GLN A 69 -7.982 -7.878 -3.056 1.00 0.00 N ATOM 1058 CA GLN A 69 -8.961 -8.893 -2.686 1.00 0.00 C ATOM 1059 C GLN A 69 -9.068 -9.030 -1.172 1.00 0.00 C ATOM 1060 O GLN A 69 -9.720 -8.243 -0.543 1.00 0.00 O ATOM 1061 CB GLN A 69 -8.590 -10.245 -3.303 1.00 0.00 C ATOM 1062 CG GLN A 69 -9.608 -11.344 -3.050 1.00 0.00 C ATOM 1063 CD GLN A 69 -9.266 -12.628 -3.782 1.00 0.00 C ATOM 1064 OE1 GLN A 69 -8.236 -12.720 -4.455 1.00 0.00 O ATOM 1065 NE2 GLN A 69 -10.134 -13.626 -3.660 1.00 0.00 N ATOM 1066 OXT GLN A 69 -8.501 -9.926 -0.610 1.00 0.00 O ATOM 0 H GLN A 69 -7.203 -8.228 -3.614 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.929 -8.576 -3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.467 -10.120 -4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.625 -10.560 -2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.665 -11.543 -1.980 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.594 -11.002 -3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.973 -13.506 -3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.961 -14.513 -4.133 1.00 0.00 H new TER 1075 GLN A 69