USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 563 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 11 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 15 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 6 GLN : amide:sc= -5.92! C(o=-5.9!,f=-0.92!) USER MOD Single : A 7 CYS SG : rot -62:sc= -0.58! USER MOD Single : A 48 ASN : amide:sc= -0.0326 K(o=-0.033,f=-2!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.088) USER MOD Single : A 74 THR OG1 : rot 87:sc= 1.17 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= -0.18 (180deg=-0.371) USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0962) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.392 USER MOD Single : A 96 SER OG : rot -92:sc= 0.504 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 146:sc= -0.235 (180deg=-1.2!) USER MOD Single : A 104 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 13.025 1.260 -17.518 1.00 1.00 N ATOM 47 CA GLU A 4 11.859 2.016 -17.078 1.00 1.00 C ATOM 48 C GLU A 4 10.609 1.550 -17.818 1.00 1.00 C ATOM 49 O GLU A 4 9.540 1.408 -17.224 1.00 1.00 O ATOM 50 CB GLU A 4 12.076 3.509 -17.330 1.00 1.00 C ATOM 51 CG GLU A 4 12.989 4.084 -16.245 1.00 1.00 C ATOM 52 CD GLU A 4 13.523 5.444 -16.682 1.00 1.00 C ATOM 53 OE1 GLU A 4 12.877 6.075 -17.503 1.00 1.00 O ATOM 54 OE2 GLU A 4 14.571 5.833 -16.193 1.00 1.00 O ATOM 0 HA GLU A 4 11.722 1.845 -16.010 1.00 1.00 H new ATOM 0 HB2 GLU A 4 12.522 3.661 -18.313 1.00 1.00 H new ATOM 0 HB3 GLU A 4 11.119 4.031 -17.329 1.00 1.00 H new ATOM 0 HG2 GLU A 4 12.438 4.183 -15.310 1.00 1.00 H new ATOM 0 HG3 GLU A 4 13.818 3.402 -16.056 1.00 1.00 H new ATOM 61 N LEU A 5 10.750 1.317 -19.119 1.00 1.00 N ATOM 62 CA LEU A 5 9.627 0.869 -19.932 1.00 1.00 C ATOM 63 C LEU A 5 9.323 -0.602 -19.667 1.00 1.00 C ATOM 64 O LEU A 5 8.199 -1.061 -19.870 1.00 1.00 O ATOM 65 CB LEU A 5 9.944 1.067 -21.416 1.00 1.00 C ATOM 66 CG LEU A 5 9.904 2.559 -21.751 1.00 1.00 C ATOM 67 CD1 LEU A 5 11.074 2.907 -22.674 1.00 1.00 C ATOM 68 CD2 LEU A 5 8.585 2.886 -22.455 1.00 1.00 C ATOM 0 H LEU A 5 11.626 1.430 -19.630 1.00 1.00 H new ATOM 0 HA LEU A 5 8.752 1.462 -19.665 1.00 1.00 H new ATOM 0 HB2 LEU A 5 10.928 0.658 -21.647 1.00 1.00 H new ATOM 0 HB3 LEU A 5 9.222 0.526 -22.028 1.00 1.00 H new ATOM 0 HG LEU A 5 9.981 3.140 -20.832 1.00 1.00 H new ATOM 0 HD11 LEU A 5 11.045 3.970 -22.913 1.00 1.00 H new ATOM 0 HD12 LEU A 5 12.014 2.672 -22.174 1.00 1.00 H new ATOM 0 HD13 LEU A 5 10.997 2.327 -23.593 1.00 1.00 H new ATOM 0 HD21 LEU A 5 8.554 3.949 -22.695 1.00 1.00 H new ATOM 0 HD22 LEU A 5 8.509 2.304 -23.374 1.00 1.00 H new ATOM 0 HD23 LEU A 5 7.751 2.638 -21.799 1.00 1.00 H new ATOM 80 N GLN A 6 10.333 -1.338 -19.215 1.00 1.00 N ATOM 81 CA GLN A 6 10.162 -2.756 -18.927 1.00 1.00 C ATOM 82 C GLN A 6 9.203 -2.960 -17.758 1.00 1.00 C ATOM 83 O GLN A 6 8.505 -3.971 -17.684 1.00 1.00 O ATOM 84 CB GLN A 6 11.518 -3.388 -18.593 1.00 1.00 C ATOM 85 CG GLN A 6 12.260 -3.720 -19.888 1.00 1.00 C ATOM 86 CD GLN A 6 11.990 -5.166 -20.288 1.00 1.00 C ATOM 87 OE1 GLN A 6 12.872 -6.017 -20.178 1.00 1.00 O ATOM 88 NE2 GLN A 6 10.813 -5.497 -20.749 1.00 1.00 N ATOM 0 H GLN A 6 11.272 -0.979 -19.041 1.00 1.00 H new ATOM 0 HA GLN A 6 9.742 -3.236 -19.811 1.00 1.00 H new ATOM 0 HB2 GLN A 6 12.111 -2.703 -17.987 1.00 1.00 H new ATOM 0 HB3 GLN A 6 11.374 -4.293 -18.002 1.00 1.00 H new ATOM 0 HG2 GLN A 6 11.938 -3.048 -20.684 1.00 1.00 H new ATOM 0 HG3 GLN A 6 13.331 -3.565 -19.753 1.00 1.00 H new ATOM 0 HE21 GLN A 6 10.083 -4.790 -20.839 1.00 1.00 H new ATOM 0 HE22 GLN A 6 10.624 -6.462 -21.018 1.00 1.00 H new ATOM 97 N CYS A 7 9.180 -1.997 -16.839 1.00 1.00 N ATOM 98 CA CYS A 7 8.306 -2.090 -15.674 1.00 1.00 C ATOM 99 C CYS A 7 6.891 -1.627 -16.011 1.00 1.00 C ATOM 100 O CYS A 7 5.913 -2.265 -15.621 1.00 1.00 O ATOM 101 CB CYS A 7 8.867 -1.239 -14.532 1.00 1.00 C ATOM 102 SG CYS A 7 8.516 0.510 -14.849 1.00 1.00 S ATOM 0 H CYS A 7 9.750 -1.152 -16.878 1.00 1.00 H new ATOM 0 HA CYS A 7 8.263 -3.134 -15.365 1.00 1.00 H new ATOM 0 HB2 CYS A 7 8.422 -1.544 -13.585 1.00 1.00 H new ATOM 0 HB3 CYS A 7 9.942 -1.394 -14.443 1.00 1.00 H new ATOM 0 HG CYS A 7 9.106 0.879 -15.947 1.00 1.00 H new ATOM 107 N ILE A 8 6.787 -0.515 -16.731 1.00 1.00 N ATOM 108 CA ILE A 8 5.483 0.020 -17.104 1.00 1.00 C ATOM 109 C ILE A 8 4.795 -0.891 -18.119 1.00 1.00 C ATOM 110 O ILE A 8 3.571 -1.019 -18.121 1.00 1.00 O ATOM 111 CB ILE A 8 5.634 1.434 -17.677 1.00 1.00 C ATOM 112 CG1 ILE A 8 4.353 2.226 -17.414 1.00 1.00 C ATOM 113 CG2 ILE A 8 5.889 1.372 -19.186 1.00 1.00 C ATOM 114 CD1 ILE A 8 4.474 3.617 -18.041 1.00 1.00 C ATOM 0 H ILE A 8 7.582 0.029 -17.065 1.00 1.00 H new ATOM 0 HA ILE A 8 4.862 0.067 -16.209 1.00 1.00 H new ATOM 0 HB ILE A 8 6.480 1.923 -17.194 1.00 1.00 H new ATOM 0 HG12 ILE A 8 3.495 1.700 -17.833 1.00 1.00 H new ATOM 0 HG13 ILE A 8 4.180 2.313 -16.341 1.00 1.00 H new ATOM 0 HG21 ILE A 8 5.994 2.383 -19.579 1.00 1.00 H new ATOM 0 HG22 ILE A 8 6.804 0.811 -19.378 1.00 1.00 H new ATOM 0 HG23 ILE A 8 5.051 0.877 -19.677 1.00 1.00 H new ATOM 0 HD11 ILE A 8 3.561 4.181 -17.853 1.00 1.00 H new ATOM 0 HD12 ILE A 8 5.322 4.142 -17.601 1.00 1.00 H new ATOM 0 HD13 ILE A 8 4.626 3.520 -19.116 1.00 1.00 H new ATOM 126 N ARG A 9 5.587 -1.519 -18.981 1.00 1.00 N ATOM 127 CA ARG A 9 5.041 -2.411 -19.997 1.00 1.00 C ATOM 128 C ARG A 9 4.320 -3.589 -19.348 1.00 1.00 C ATOM 129 O ARG A 9 3.288 -4.044 -19.842 1.00 1.00 O ATOM 130 CB ARG A 9 6.166 -2.931 -20.894 1.00 1.00 C ATOM 131 CG ARG A 9 5.615 -4.011 -21.829 1.00 1.00 C ATOM 132 CD ARG A 9 6.528 -4.145 -23.048 1.00 1.00 C ATOM 133 NE ARG A 9 7.926 -4.158 -22.635 1.00 1.00 N ATOM 134 CZ ARG A 9 8.867 -4.692 -23.409 1.00 1.00 C ATOM 135 NH1 ARG A 9 8.546 -5.213 -24.560 1.00 1.00 N ATOM 136 NH2 ARG A 9 10.112 -4.693 -23.015 1.00 1.00 N ATOM 0 H ARG A 9 6.603 -1.428 -18.997 1.00 1.00 H new ATOM 0 HA ARG A 9 4.326 -1.850 -20.598 1.00 1.00 H new ATOM 0 HB2 ARG A 9 6.589 -2.112 -21.476 1.00 1.00 H new ATOM 0 HB3 ARG A 9 6.972 -3.339 -20.285 1.00 1.00 H new ATOM 0 HG2 ARG A 9 5.551 -4.964 -21.303 1.00 1.00 H new ATOM 0 HG3 ARG A 9 4.604 -3.752 -22.145 1.00 1.00 H new ATOM 0 HD2 ARG A 9 6.293 -5.062 -23.588 1.00 1.00 H new ATOM 0 HD3 ARG A 9 6.352 -3.317 -23.735 1.00 1.00 H new ATOM 0 HE ARG A 9 8.187 -3.751 -21.737 1.00 1.00 H new ATOM 0 HH11 ARG A 9 7.573 -5.211 -24.867 1.00 1.00 H new ATOM 0 HH12 ARG A 9 9.267 -5.622 -25.153 1.00 1.00 H new ATOM 0 HH21 ARG A 9 10.362 -4.285 -22.114 1.00 1.00 H new ATOM 0 HH22 ARG A 9 10.834 -5.102 -23.608 1.00 1.00 H new ATOM 150 N GLU A 10 4.871 -4.082 -18.242 1.00 1.00 N ATOM 151 CA GLU A 10 4.268 -5.209 -17.543 1.00 1.00 C ATOM 152 C GLU A 10 2.910 -4.821 -16.968 1.00 1.00 C ATOM 153 O GLU A 10 1.919 -5.526 -17.164 1.00 1.00 O ATOM 154 CB GLU A 10 5.189 -5.677 -16.415 1.00 1.00 C ATOM 155 CG GLU A 10 6.162 -6.726 -16.956 1.00 1.00 C ATOM 156 CD GLU A 10 7.228 -7.041 -15.911 1.00 1.00 C ATOM 157 OE1 GLU A 10 7.854 -6.109 -15.433 1.00 1.00 O ATOM 158 OE2 GLU A 10 7.407 -8.209 -15.610 1.00 1.00 O ATOM 0 H GLU A 10 5.725 -3.722 -17.815 1.00 1.00 H new ATOM 0 HA GLU A 10 4.127 -6.021 -18.257 1.00 1.00 H new ATOM 0 HB2 GLU A 10 5.740 -4.830 -16.006 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.600 -6.098 -15.600 1.00 1.00 H new ATOM 0 HG2 GLU A 10 5.620 -7.634 -17.219 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.633 -6.360 -17.868 1.00 1.00 H new ATOM 165 N CYS A 11 2.869 -3.698 -16.259 1.00 1.00 N ATOM 166 CA CYS A 11 1.624 -3.229 -15.662 1.00 1.00 C ATOM 167 C CYS A 11 0.636 -2.805 -16.745 1.00 1.00 C ATOM 168 O CYS A 11 -0.574 -2.978 -16.599 1.00 1.00 O ATOM 169 CB CYS A 11 1.900 -2.048 -14.730 1.00 1.00 C ATOM 170 SG CYS A 11 0.982 -2.269 -13.186 1.00 1.00 S ATOM 0 H CYS A 11 3.677 -3.100 -16.085 1.00 1.00 H new ATOM 0 HA CYS A 11 1.189 -4.048 -15.089 1.00 1.00 H new ATOM 0 HB2 CYS A 11 2.968 -1.976 -14.523 1.00 1.00 H new ATOM 0 HB3 CYS A 11 1.605 -1.115 -15.211 1.00 1.00 H new ATOM 0 HG CYS A 11 1.218 -1.266 -12.393 1.00 1.00 H new ATOM 175 N ARG A 12 1.162 -2.248 -17.832 1.00 1.00 N ATOM 176 CA ARG A 12 0.316 -1.804 -18.933 1.00 1.00 C ATOM 177 C ARG A 12 -0.536 -2.958 -19.450 1.00 1.00 C ATOM 178 O ARG A 12 -1.720 -2.788 -19.740 1.00 1.00 O ATOM 179 CB ARG A 12 1.181 -1.255 -20.070 1.00 1.00 C ATOM 180 CG ARG A 12 0.321 -1.066 -21.322 1.00 1.00 C ATOM 181 CD ARG A 12 1.041 -0.141 -22.303 1.00 1.00 C ATOM 182 NE ARG A 12 0.438 -0.246 -23.626 1.00 1.00 N ATOM 183 CZ ARG A 12 -0.643 0.460 -23.947 1.00 1.00 C ATOM 184 NH1 ARG A 12 -1.171 1.276 -23.079 1.00 1.00 N ATOM 185 NH2 ARG A 12 -1.174 0.335 -25.133 1.00 1.00 N ATOM 0 H ARG A 12 2.161 -2.095 -17.973 1.00 1.00 H new ATOM 0 HA ARG A 12 -0.342 -1.016 -18.567 1.00 1.00 H new ATOM 0 HB2 ARG A 12 1.627 -0.305 -19.776 1.00 1.00 H new ATOM 0 HB3 ARG A 12 2.002 -1.941 -20.280 1.00 1.00 H new ATOM 0 HG2 ARG A 12 0.127 -2.030 -21.791 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -0.646 -0.643 -21.051 1.00 1.00 H new ATOM 0 HD2 ARG A 12 0.986 0.889 -21.951 1.00 1.00 H new ATOM 0 HD3 ARG A 12 2.097 -0.404 -22.354 1.00 1.00 H new ATOM 0 HE ARG A 12 0.852 -0.871 -24.317 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -0.755 1.374 -22.153 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -2.000 1.817 -23.326 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -0.760 -0.303 -25.812 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -2.003 0.876 -25.380 1.00 1.00 H new ATOM 199 N LEU A 13 0.075 -4.133 -19.563 1.00 1.00 N ATOM 200 CA LEU A 13 -0.636 -5.311 -20.047 1.00 1.00 C ATOM 201 C LEU A 13 -1.823 -5.622 -19.142 1.00 1.00 C ATOM 202 O LEU A 13 -2.907 -5.961 -19.618 1.00 1.00 O ATOM 203 CB LEU A 13 0.315 -6.513 -20.087 1.00 1.00 C ATOM 204 CG LEU A 13 -0.378 -7.715 -20.741 1.00 1.00 C ATOM 205 CD1 LEU A 13 -0.701 -7.408 -22.206 1.00 1.00 C ATOM 206 CD2 LEU A 13 0.548 -8.930 -20.672 1.00 1.00 C ATOM 0 H LEU A 13 1.054 -4.295 -19.328 1.00 1.00 H new ATOM 0 HA LEU A 13 -1.004 -5.109 -21.053 1.00 1.00 H new ATOM 0 HB2 LEU A 13 1.215 -6.255 -20.645 1.00 1.00 H new ATOM 0 HB3 LEU A 13 0.629 -6.771 -19.076 1.00 1.00 H new ATOM 0 HG LEU A 13 -1.306 -7.923 -20.209 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -1.193 -8.269 -22.658 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -1.362 -6.543 -22.259 1.00 1.00 H new ATOM 0 HD13 LEU A 13 0.222 -7.193 -22.745 1.00 1.00 H new ATOM 0 HD21 LEU A 13 0.059 -9.787 -21.136 1.00 1.00 H new ATOM 0 HD22 LEU A 13 1.476 -8.711 -21.201 1.00 1.00 H new ATOM 0 HD23 LEU A 13 0.770 -9.159 -19.630 1.00 1.00 H new ATOM 218 N ALA A 14 -1.611 -5.508 -17.835 1.00 1.00 N ATOM 219 CA ALA A 14 -2.671 -5.780 -16.872 1.00 1.00 C ATOM 220 C ALA A 14 -3.670 -4.628 -16.835 1.00 1.00 C ATOM 221 O ALA A 14 -4.871 -4.840 -16.670 1.00 1.00 O ATOM 222 CB ALA A 14 -2.073 -5.983 -15.479 1.00 1.00 C ATOM 0 H ALA A 14 -0.721 -5.231 -17.421 1.00 1.00 H new ATOM 0 HA ALA A 14 -3.190 -6.687 -17.180 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -2.872 -6.186 -14.766 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -1.382 -6.826 -15.499 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.538 -5.082 -15.178 1.00 1.00 H new ATOM 228 N GLN A 15 -3.165 -3.408 -16.990 1.00 1.00 N ATOM 229 CA GLN A 15 -4.022 -2.229 -16.974 1.00 1.00 C ATOM 230 C GLN A 15 -4.847 -2.148 -18.254 1.00 1.00 C ATOM 231 O GLN A 15 -5.891 -1.495 -18.292 1.00 1.00 O ATOM 232 CB GLN A 15 -3.170 -0.966 -16.831 1.00 1.00 C ATOM 233 CG GLN A 15 -3.258 -0.450 -15.395 1.00 1.00 C ATOM 234 CD GLN A 15 -2.183 0.604 -15.153 1.00 1.00 C ATOM 235 OE1 GLN A 15 -2.023 1.525 -15.957 1.00 1.00 O ATOM 236 NE2 GLN A 15 -1.434 0.528 -14.088 1.00 1.00 N ATOM 0 H GLN A 15 -2.174 -3.211 -17.127 1.00 1.00 H new ATOM 0 HA GLN A 15 -4.700 -2.307 -16.124 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -2.133 -1.183 -17.087 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -3.516 -0.201 -17.525 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -4.244 -0.024 -15.213 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -3.133 -1.276 -14.695 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -1.568 -0.235 -13.424 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -0.715 1.231 -13.919 1.00 1.00 H new ATOM 598 N ALA A 45 6.937 -10.221 -5.639 1.00 1.00 N ATOM 599 CA ALA A 45 8.389 -10.303 -5.755 1.00 1.00 C ATOM 600 C ALA A 45 9.057 -9.082 -5.131 1.00 1.00 C ATOM 601 O ALA A 45 10.244 -9.118 -4.805 1.00 1.00 O ATOM 602 CB ALA A 45 8.787 -10.407 -7.228 1.00 1.00 C ATOM 0 HA ALA A 45 8.724 -11.192 -5.220 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.872 -10.468 -7.308 1.00 1.00 H new ATOM 0 HB2 ALA A 45 8.340 -11.301 -7.663 1.00 1.00 H new ATOM 0 HB3 ALA A 45 8.432 -9.526 -7.764 1.00 1.00 H new ATOM 608 N ILE A 46 8.293 -8.001 -4.974 1.00 1.00 N ATOM 609 CA ILE A 46 8.825 -6.772 -4.392 1.00 1.00 C ATOM 610 C ILE A 46 8.043 -6.374 -3.141 1.00 1.00 C ATOM 611 O ILE A 46 8.563 -5.685 -2.265 1.00 1.00 O ATOM 612 CB ILE A 46 8.749 -5.638 -5.417 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.325 -5.546 -5.974 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.723 -5.915 -6.563 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.186 -4.273 -6.810 1.00 1.00 C ATOM 0 H ILE A 46 7.310 -7.952 -5.240 1.00 1.00 H new ATOM 0 HA ILE A 46 9.863 -6.951 -4.112 1.00 1.00 H new ATOM 0 HB ILE A 46 9.014 -4.698 -4.934 1.00 1.00 H new ATOM 0 HG12 ILE A 46 7.105 -6.421 -6.585 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.603 -5.538 -5.157 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.667 -5.106 -7.292 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.738 -5.980 -6.170 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.459 -6.856 -7.045 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.173 -4.207 -7.207 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.388 -3.403 -6.185 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.898 -4.300 -7.635 1.00 1.00 H new ATOM 627 N ALA A 47 6.792 -6.804 -3.069 1.00 1.00 N ATOM 628 CA ALA A 47 5.945 -6.483 -1.926 1.00 1.00 C ATOM 629 C ALA A 47 6.468 -7.136 -0.650 1.00 1.00 C ATOM 630 O ALA A 47 6.252 -6.629 0.451 1.00 1.00 O ATOM 631 CB ALA A 47 4.513 -6.953 -2.191 1.00 1.00 C ATOM 0 H ALA A 47 6.341 -7.374 -3.785 1.00 1.00 H new ATOM 0 HA ALA A 47 5.959 -5.402 -1.789 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.886 -6.710 -1.333 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.124 -6.453 -3.078 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.508 -8.031 -2.351 1.00 1.00 H new ATOM 637 N ASN A 48 7.154 -8.264 -0.804 1.00 1.00 N ATOM 638 CA ASN A 48 7.697 -8.979 0.345 1.00 1.00 C ATOM 639 C ASN A 48 9.039 -8.389 0.744 1.00 1.00 C ATOM 640 O ASN A 48 9.486 -8.537 1.882 1.00 1.00 O ATOM 641 CB ASN A 48 7.856 -10.462 0.009 1.00 1.00 C ATOM 642 CG ASN A 48 6.489 -11.072 -0.280 1.00 1.00 C ATOM 643 OD1 ASN A 48 5.466 -10.419 -0.077 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.408 -12.286 -0.750 1.00 1.00 N ATOM 0 H ASN A 48 7.346 -8.700 -1.706 1.00 1.00 H new ATOM 0 HA ASN A 48 7.006 -8.876 1.182 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.508 -10.581 -0.856 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.330 -10.984 0.840 1.00 1.00 H new ATOM 0 HD21 ASN A 48 5.496 -12.696 -0.950 1.00 1.00 H new ATOM 0 HD22 ASN A 48 7.257 -12.826 -0.918 1.00 1.00 H new ATOM 651 N PHE A 49 9.675 -7.724 -0.207 1.00 1.00 N ATOM 652 CA PHE A 49 10.968 -7.110 0.038 1.00 1.00 C ATOM 653 C PHE A 49 10.828 -5.923 0.984 1.00 1.00 C ATOM 654 O PHE A 49 11.819 -5.299 1.365 1.00 1.00 O ATOM 655 CB PHE A 49 11.573 -6.655 -1.287 1.00 1.00 C ATOM 656 CG PHE A 49 12.350 -7.794 -1.899 1.00 1.00 C ATOM 657 CD1 PHE A 49 11.666 -8.864 -2.487 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.750 -7.782 -1.883 1.00 1.00 C ATOM 659 CE1 PHE A 49 12.382 -9.923 -3.058 1.00 1.00 C ATOM 660 CE2 PHE A 49 14.466 -8.841 -2.454 1.00 1.00 C ATOM 661 CZ PHE A 49 13.781 -9.911 -3.042 1.00 1.00 C ATOM 0 H PHE A 49 9.317 -7.596 -1.154 1.00 1.00 H new ATOM 0 HA PHE A 49 11.625 -7.844 0.505 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.785 -6.331 -1.967 1.00 1.00 H new ATOM 0 HB3 PHE A 49 12.228 -5.799 -1.126 1.00 1.00 H new ATOM 0 HD1 PHE A 49 10.586 -8.873 -2.500 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.278 -6.956 -1.430 1.00 1.00 H new ATOM 0 HE1 PHE A 49 11.854 -10.749 -3.511 1.00 1.00 H new ATOM 0 HE2 PHE A 49 15.546 -8.832 -2.441 1.00 1.00 H new ATOM 0 HZ PHE A 49 14.333 -10.728 -3.484 1.00 1.00 H new ATOM 671 N LEU A 50 9.588 -5.626 1.364 1.00 1.00 N ATOM 672 CA LEU A 50 9.311 -4.520 2.277 1.00 1.00 C ATOM 673 C LEU A 50 8.653 -5.049 3.550 1.00 1.00 C ATOM 674 O LEU A 50 7.475 -5.404 3.549 1.00 1.00 O ATOM 675 CB LEU A 50 8.377 -3.501 1.604 1.00 1.00 C ATOM 676 CG LEU A 50 9.161 -2.586 0.647 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.511 -2.621 -0.738 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.129 -1.150 1.177 1.00 1.00 C ATOM 0 H LEU A 50 8.760 -6.135 1.054 1.00 1.00 H new ATOM 0 HA LEU A 50 10.252 -4.032 2.531 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.596 -4.026 1.054 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.881 -2.898 2.365 1.00 1.00 H new ATOM 0 HG LEU A 50 10.192 -2.932 0.579 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.066 -1.973 -1.417 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.523 -3.642 -1.120 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.481 -2.273 -0.665 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.684 -0.500 0.500 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.096 -0.809 1.242 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.585 -1.117 2.167 1.00 1.00 H new ATOM 690 N GLU A 51 9.425 -5.098 4.632 1.00 1.00 N ATOM 691 CA GLU A 51 8.910 -5.585 5.908 1.00 1.00 C ATOM 692 C GLU A 51 7.586 -4.885 6.245 1.00 1.00 C ATOM 693 O GLU A 51 7.347 -3.765 5.796 1.00 1.00 O ATOM 694 CB GLU A 51 9.948 -5.319 7.005 1.00 1.00 C ATOM 695 CG GLU A 51 10.985 -6.448 7.015 1.00 1.00 C ATOM 696 CD GLU A 51 10.513 -7.583 7.919 1.00 1.00 C ATOM 697 OE1 GLU A 51 9.634 -8.320 7.501 1.00 1.00 O ATOM 698 OE2 GLU A 51 11.007 -7.672 9.031 1.00 1.00 O ATOM 0 H GLU A 51 10.403 -4.809 4.651 1.00 1.00 H new ATOM 0 HA GLU A 51 8.724 -6.657 5.840 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.439 -4.362 6.831 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.457 -5.253 7.976 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.140 -6.819 6.002 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.945 -6.068 7.365 1.00 1.00 H new ATOM 705 N PRO A 52 6.720 -5.516 7.010 1.00 1.00 N ATOM 706 CA PRO A 52 5.400 -4.920 7.381 1.00 1.00 C ATOM 707 C PRO A 52 5.552 -3.606 8.140 1.00 1.00 C ATOM 708 O PRO A 52 4.936 -2.601 7.787 1.00 1.00 O ATOM 709 CB PRO A 52 4.728 -5.984 8.256 1.00 1.00 C ATOM 710 CG PRO A 52 5.808 -6.926 8.670 1.00 1.00 C ATOM 711 CD PRO A 52 6.897 -6.850 7.603 1.00 1.00 C ATOM 0 HA PRO A 52 4.813 -4.671 6.497 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.253 -5.530 9.126 1.00 1.00 H new ATOM 0 HB3 PRO A 52 3.947 -6.506 7.703 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.205 -6.652 9.647 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.422 -7.942 8.756 1.00 1.00 H new ATOM 0 HD2 PRO A 52 7.890 -6.965 8.037 1.00 1.00 H new ATOM 0 HD3 PRO A 52 6.781 -7.637 6.858 1.00 1.00 H new ATOM 719 N GLN A 53 6.381 -3.614 9.179 1.00 1.00 N ATOM 720 CA GLN A 53 6.602 -2.408 9.966 1.00 1.00 C ATOM 721 C GLN A 53 7.182 -1.316 9.075 1.00 1.00 C ATOM 722 O GLN A 53 6.743 -0.168 9.110 1.00 1.00 O ATOM 723 CB GLN A 53 7.569 -2.700 11.116 1.00 1.00 C ATOM 724 CG GLN A 53 6.892 -3.625 12.129 1.00 1.00 C ATOM 725 CD GLN A 53 7.934 -4.512 12.802 1.00 1.00 C ATOM 726 OE1 GLN A 53 8.887 -4.010 13.398 1.00 1.00 O ATOM 727 NE2 GLN A 53 7.809 -5.810 12.743 1.00 1.00 N ATOM 0 H GLN A 53 6.904 -4.432 9.492 1.00 1.00 H new ATOM 0 HA GLN A 53 5.650 -2.074 10.379 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.477 -3.165 10.733 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.867 -1.770 11.600 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.366 -3.034 12.879 1.00 1.00 H new ATOM 0 HG3 GLN A 53 6.146 -4.242 11.629 1.00 1.00 H new ATOM 0 HE21 GLN A 53 7.019 -6.224 12.249 1.00 1.00 H new ATOM 0 HE22 GLN A 53 8.502 -6.410 13.191 1.00 1.00 H new ATOM 736 N ALA A 54 8.161 -1.699 8.266 1.00 1.00 N ATOM 737 CA ALA A 54 8.794 -0.764 7.347 1.00 1.00 C ATOM 738 C ALA A 54 7.768 -0.229 6.359 1.00 1.00 C ATOM 739 O ALA A 54 7.890 0.891 5.858 1.00 1.00 O ATOM 740 CB ALA A 54 9.910 -1.471 6.579 1.00 1.00 C ATOM 0 H ALA A 54 8.533 -2.648 8.228 1.00 1.00 H new ATOM 0 HA ALA A 54 9.211 0.065 7.920 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.381 -0.768 5.892 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.654 -1.846 7.282 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.492 -2.304 6.014 1.00 1.00 H new ATOM 746 N LEU A 55 6.763 -1.049 6.077 1.00 1.00 N ATOM 747 CA LEU A 55 5.717 -0.666 5.134 1.00 1.00 C ATOM 748 C LEU A 55 4.924 0.527 5.657 1.00 1.00 C ATOM 749 O LEU A 55 4.559 1.423 4.895 1.00 1.00 O ATOM 750 CB LEU A 55 4.771 -1.846 4.896 1.00 1.00 C ATOM 751 CG LEU A 55 4.664 -2.121 3.394 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.733 -3.312 3.157 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.100 -0.886 2.686 1.00 1.00 C ATOM 0 H LEU A 55 6.649 -1.977 6.484 1.00 1.00 H new ATOM 0 HA LEU A 55 6.192 -0.383 4.194 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.140 -2.732 5.413 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.786 -1.625 5.307 1.00 1.00 H new ATOM 0 HG LEU A 55 5.653 -2.348 2.997 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.657 -3.507 2.087 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.134 -4.193 3.659 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.744 -3.086 3.555 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.024 -1.083 1.617 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.111 -0.658 3.084 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.763 -0.037 2.853 1.00 1.00 H new ATOM 765 N GLU A 56 4.661 0.534 6.958 1.00 1.00 N ATOM 766 CA GLU A 56 3.908 1.624 7.567 1.00 1.00 C ATOM 767 C GLU A 56 4.668 2.942 7.444 1.00 1.00 C ATOM 768 O GLU A 56 4.066 4.001 7.273 1.00 1.00 O ATOM 769 CB GLU A 56 3.641 1.317 9.042 1.00 1.00 C ATOM 770 CG GLU A 56 2.173 0.928 9.221 1.00 1.00 C ATOM 771 CD GLU A 56 1.928 0.445 10.646 1.00 1.00 C ATOM 772 OE1 GLU A 56 2.863 0.464 11.429 1.00 1.00 O ATOM 773 OE2 GLU A 56 0.806 0.061 10.933 1.00 1.00 O ATOM 0 H GLU A 56 4.955 -0.196 7.607 1.00 1.00 H new ATOM 0 HA GLU A 56 2.958 1.720 7.040 1.00 1.00 H new ATOM 0 HB2 GLU A 56 4.287 0.507 9.379 1.00 1.00 H new ATOM 0 HB3 GLU A 56 3.875 2.188 9.655 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.533 1.783 9.004 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.908 0.143 8.512 1.00 1.00 H new ATOM 780 N ARG A 57 5.992 2.871 7.540 1.00 1.00 N ATOM 781 CA ARG A 57 6.818 4.071 7.446 1.00 1.00 C ATOM 782 C ARG A 57 6.673 4.730 6.077 1.00 1.00 C ATOM 783 O ARG A 57 6.335 5.909 5.983 1.00 1.00 O ATOM 784 CB ARG A 57 8.290 3.711 7.683 1.00 1.00 C ATOM 785 CG ARG A 57 8.888 4.603 8.780 1.00 1.00 C ATOM 786 CD ARG A 57 8.985 6.049 8.284 1.00 1.00 C ATOM 787 NE ARG A 57 10.354 6.353 7.888 1.00 1.00 N ATOM 788 CZ ARG A 57 10.743 7.603 7.660 1.00 1.00 C ATOM 789 NH1 ARG A 57 9.894 8.585 7.797 1.00 1.00 N ATOM 790 NH2 ARG A 57 11.973 7.850 7.298 1.00 1.00 N ATOM 0 H ARG A 57 6.512 2.005 7.681 1.00 1.00 H new ATOM 0 HA ARG A 57 6.482 4.774 8.208 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.373 2.663 7.972 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.854 3.833 6.758 1.00 1.00 H new ATOM 0 HG2 ARG A 57 8.268 4.558 9.675 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.877 4.238 9.058 1.00 1.00 H new ATOM 0 HD2 ARG A 57 8.313 6.197 7.439 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.665 6.733 9.070 1.00 1.00 H new ATOM 0 HE ARG A 57 11.026 5.593 7.784 1.00 1.00 H new ATOM 0 HH11 ARG A 57 8.933 8.393 8.079 1.00 1.00 H new ATOM 0 HH12 ARG A 57 10.192 9.545 7.622 1.00 1.00 H new ATOM 0 HH21 ARG A 57 12.637 7.083 7.190 1.00 1.00 H new ATOM 0 HH22 ARG A 57 12.270 8.810 7.123 1.00 1.00 H new ATOM 804 N LEU A 58 6.937 3.971 5.017 1.00 1.00 N ATOM 805 CA LEU A 58 6.835 4.519 3.668 1.00 1.00 C ATOM 806 C LEU A 58 5.409 5.000 3.402 1.00 1.00 C ATOM 807 O LEU A 58 5.194 5.997 2.713 1.00 1.00 O ATOM 808 CB LEU A 58 7.232 3.460 2.634 1.00 1.00 C ATOM 809 CG LEU A 58 7.368 4.106 1.246 1.00 1.00 C ATOM 810 CD1 LEU A 58 8.529 5.107 1.233 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.640 3.017 0.204 1.00 1.00 C ATOM 0 H LEU A 58 7.218 2.992 5.063 1.00 1.00 H new ATOM 0 HA LEU A 58 7.516 5.366 3.583 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.175 2.994 2.922 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.482 2.670 2.604 1.00 1.00 H new ATOM 0 HG LEU A 58 6.441 4.630 1.011 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.612 5.555 0.243 1.00 1.00 H new ATOM 0 HD12 LEU A 58 8.344 5.888 1.971 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.458 4.590 1.476 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.737 3.472 -0.782 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.564 2.496 0.455 1.00 1.00 H new ATOM 0 HD23 LEU A 58 6.813 2.307 0.196 1.00 1.00 H new ATOM 823 N SER A 59 4.439 4.290 3.956 1.00 1.00 N ATOM 824 CA SER A 59 3.042 4.668 3.782 1.00 1.00 C ATOM 825 C SER A 59 2.754 5.995 4.483 1.00 1.00 C ATOM 826 O SER A 59 2.022 6.838 3.967 1.00 1.00 O ATOM 827 CB SER A 59 2.133 3.580 4.354 1.00 1.00 C ATOM 828 OG SER A 59 1.512 2.878 3.285 1.00 1.00 O ATOM 0 H SER A 59 4.589 3.457 4.525 1.00 1.00 H new ATOM 0 HA SER A 59 2.846 4.783 2.716 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.713 2.891 4.969 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.377 4.025 5.001 1.00 1.00 H new ATOM 0 HG SER A 59 0.930 2.178 3.648 1.00 1.00 H new ATOM 834 N ARG A 60 3.316 6.154 5.679 1.00 1.00 N ATOM 835 CA ARG A 60 3.103 7.359 6.481 1.00 1.00 C ATOM 836 C ARG A 60 3.724 8.607 5.851 1.00 1.00 C ATOM 837 O ARG A 60 3.092 9.664 5.813 1.00 1.00 O ATOM 838 CB ARG A 60 3.690 7.157 7.878 1.00 1.00 C ATOM 839 CG ARG A 60 3.702 8.492 8.625 1.00 1.00 C ATOM 840 CD ARG A 60 3.812 8.235 10.129 1.00 1.00 C ATOM 841 NE ARG A 60 2.487 8.045 10.706 1.00 1.00 N ATOM 842 CZ ARG A 60 2.318 7.940 12.022 1.00 1.00 C ATOM 843 NH1 ARG A 60 3.349 8.010 12.819 1.00 1.00 N ATOM 844 NH2 ARG A 60 1.122 7.771 12.515 1.00 1.00 N ATOM 0 H ARG A 60 3.924 5.462 6.116 1.00 1.00 H new ATOM 0 HA ARG A 60 2.026 7.520 6.534 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.100 6.425 8.429 1.00 1.00 H new ATOM 0 HB3 ARG A 60 4.703 6.760 7.805 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.540 9.102 8.287 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.792 9.051 8.407 1.00 1.00 H new ATOM 0 HD2 ARG A 60 4.425 7.353 10.310 1.00 1.00 H new ATOM 0 HD3 ARG A 60 4.310 9.075 10.613 1.00 1.00 H new ATOM 0 HE ARG A 60 1.675 7.992 10.091 1.00 1.00 H new ATOM 0 HH11 ARG A 60 4.284 8.145 12.433 1.00 1.00 H new ATOM 0 HH12 ARG A 60 3.220 7.930 13.828 1.00 1.00 H new ATOM 0 HH21 ARG A 60 0.316 7.719 11.892 1.00 1.00 H new ATOM 0 HH22 ARG A 60 0.993 7.691 13.524 1.00 1.00 H new ATOM 858 N VAL A 61 4.964 8.501 5.380 1.00 1.00 N ATOM 859 CA VAL A 61 5.638 9.657 4.787 1.00 1.00 C ATOM 860 C VAL A 61 4.995 10.054 3.459 1.00 1.00 C ATOM 861 O VAL A 61 4.837 11.239 3.169 1.00 1.00 O ATOM 862 CB VAL A 61 7.126 9.357 4.576 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.290 8.314 3.477 1.00 1.00 C ATOM 864 CG2 VAL A 61 7.854 10.641 4.171 1.00 1.00 C ATOM 0 H VAL A 61 5.516 7.643 5.395 1.00 1.00 H new ATOM 0 HA VAL A 61 5.535 10.492 5.480 1.00 1.00 H new ATOM 0 HB VAL A 61 7.550 8.974 5.504 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.349 8.104 3.330 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.775 7.398 3.765 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.863 8.694 2.549 1.00 1.00 H new ATOM 0 HG21 VAL A 61 8.912 10.427 4.021 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.426 11.025 3.245 1.00 1.00 H new ATOM 0 HG23 VAL A 61 7.742 11.386 4.958 1.00 1.00 H new ATOM 874 N ALA A 62 4.636 9.061 2.652 1.00 1.00 N ATOM 875 CA ALA A 62 4.020 9.325 1.351 1.00 1.00 C ATOM 876 C ALA A 62 2.879 10.338 1.467 1.00 1.00 C ATOM 877 O ALA A 62 2.743 11.226 0.626 1.00 1.00 O ATOM 878 CB ALA A 62 3.480 8.021 0.760 1.00 1.00 C ATOM 0 H ALA A 62 4.759 8.072 2.871 1.00 1.00 H new ATOM 0 HA ALA A 62 4.785 9.744 0.698 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.022 8.223 -0.209 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.298 7.312 0.634 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.734 7.598 1.433 1.00 1.00 H new ATOM 884 N LEU A 63 2.057 10.191 2.501 1.00 1.00 N ATOM 885 CA LEU A 63 0.924 11.093 2.701 1.00 1.00 C ATOM 886 C LEU A 63 1.389 12.533 2.867 1.00 1.00 C ATOM 887 O LEU A 63 0.598 13.466 2.729 1.00 1.00 O ATOM 888 CB LEU A 63 0.142 10.683 3.950 1.00 1.00 C ATOM 889 CG LEU A 63 -1.007 9.748 3.561 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.469 8.583 2.728 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.667 9.201 4.830 1.00 1.00 C ATOM 0 H LEU A 63 2.151 9.463 3.209 1.00 1.00 H new ATOM 0 HA LEU A 63 0.287 11.025 1.819 1.00 1.00 H new ATOM 0 HB2 LEU A 63 0.805 10.184 4.657 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.251 11.568 4.451 1.00 1.00 H new ATOM 0 HG LEU A 63 -1.739 10.303 2.974 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.291 7.921 2.454 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.002 8.969 1.824 1.00 1.00 H new ATOM 0 HD13 LEU A 63 0.265 8.027 3.311 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.485 8.535 4.556 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -0.930 8.650 5.414 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -2.056 10.028 5.424 1.00 1.00 H new ATOM 903 N VAL A 64 2.667 12.704 3.183 1.00 1.00 N ATOM 904 CA VAL A 64 3.221 14.036 3.393 1.00 1.00 C ATOM 905 C VAL A 64 4.176 14.427 2.268 1.00 1.00 C ATOM 906 O VAL A 64 4.097 15.537 1.741 1.00 1.00 O ATOM 907 CB VAL A 64 3.952 14.077 4.735 1.00 1.00 C ATOM 908 CG1 VAL A 64 3.620 15.385 5.450 1.00 1.00 C ATOM 909 CG2 VAL A 64 3.491 12.903 5.603 1.00 1.00 C ATOM 0 H VAL A 64 3.336 11.942 3.299 1.00 1.00 H new ATOM 0 HA VAL A 64 2.399 14.752 3.397 1.00 1.00 H new ATOM 0 HB VAL A 64 5.027 14.009 4.565 1.00 1.00 H new ATOM 0 HG11 VAL A 64 4.139 15.418 6.408 1.00 1.00 H new ATOM 0 HG12 VAL A 64 3.938 16.227 4.835 1.00 1.00 H new ATOM 0 HG13 VAL A 64 2.545 15.445 5.618 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.012 12.932 6.560 1.00 1.00 H new ATOM 0 HG22 VAL A 64 2.417 12.975 5.772 1.00 1.00 H new ATOM 0 HG23 VAL A 64 3.716 11.965 5.095 1.00 1.00 H new ATOM 919 N ARG A 65 5.073 13.517 1.900 1.00 1.00 N ATOM 920 CA ARG A 65 6.031 13.790 0.830 1.00 1.00 C ATOM 921 C ARG A 65 6.136 12.608 -0.124 1.00 1.00 C ATOM 922 O ARG A 65 7.060 11.802 -0.030 1.00 1.00 O ATOM 923 CB ARG A 65 7.414 14.085 1.408 1.00 1.00 C ATOM 924 CG ARG A 65 7.422 15.462 2.078 1.00 1.00 C ATOM 925 CD ARG A 65 7.799 16.533 1.051 1.00 1.00 C ATOM 926 NE ARG A 65 7.288 17.831 1.475 1.00 1.00 N ATOM 927 CZ ARG A 65 7.789 18.454 2.537 1.00 1.00 C ATOM 928 NH1 ARG A 65 8.773 17.915 3.203 1.00 1.00 N ATOM 929 NH2 ARG A 65 7.298 19.602 2.913 1.00 1.00 N ATOM 0 H ARG A 65 5.158 12.592 2.321 1.00 1.00 H new ATOM 0 HA ARG A 65 5.670 14.661 0.283 1.00 1.00 H new ATOM 0 HB2 ARG A 65 7.685 13.318 2.133 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.162 14.053 0.616 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.440 15.678 2.499 1.00 1.00 H new ATOM 0 HG3 ARG A 65 8.132 15.471 2.905 1.00 1.00 H new ATOM 0 HD2 ARG A 65 8.882 16.578 0.941 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.390 16.273 0.075 1.00 1.00 H new ATOM 0 HE ARG A 65 6.533 18.269 0.947 1.00 1.00 H new ATOM 0 HH11 ARG A 65 9.157 17.017 2.908 1.00 1.00 H new ATOM 0 HH12 ARG A 65 9.159 18.392 4.018 1.00 1.00 H new ATOM 0 HH21 ARG A 65 6.529 20.023 2.392 1.00 1.00 H new ATOM 0 HH22 ARG A 65 7.683 20.079 3.728 1.00 1.00 H new ATOM 943 N ARG A 66 5.188 12.518 -1.044 1.00 1.00 N ATOM 944 CA ARG A 66 5.185 11.439 -2.023 1.00 1.00 C ATOM 945 C ARG A 66 6.462 11.477 -2.858 1.00 1.00 C ATOM 946 O ARG A 66 6.947 10.441 -3.315 1.00 1.00 O ATOM 947 CB ARG A 66 3.966 11.564 -2.937 1.00 1.00 C ATOM 948 CG ARG A 66 3.034 10.373 -2.708 1.00 1.00 C ATOM 949 CD ARG A 66 1.782 10.528 -3.568 1.00 1.00 C ATOM 950 NE ARG A 66 1.097 9.247 -3.694 1.00 1.00 N ATOM 951 CZ ARG A 66 1.468 8.357 -4.610 1.00 1.00 C ATOM 952 NH1 ARG A 66 2.452 8.628 -5.421 1.00 1.00 N ATOM 953 NH2 ARG A 66 0.848 7.211 -4.695 1.00 1.00 N ATOM 0 H ARG A 66 4.413 13.175 -1.134 1.00 1.00 H new ATOM 0 HA ARG A 66 5.139 10.488 -1.492 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.439 12.496 -2.733 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.282 11.597 -3.980 1.00 1.00 H new ATOM 0 HG2 ARG A 66 3.546 9.444 -2.958 1.00 1.00 H new ATOM 0 HG3 ARG A 66 2.759 10.311 -1.655 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.114 11.264 -3.121 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.054 10.902 -4.555 1.00 1.00 H new ATOM 0 HE ARG A 66 0.320 9.030 -3.069 1.00 1.00 H new ATOM 0 HH11 ARG A 66 2.937 9.523 -5.353 1.00 1.00 H new ATOM 0 HH12 ARG A 66 2.737 7.945 -6.124 1.00 1.00 H new ATOM 0 HH21 ARG A 66 0.079 6.999 -4.059 1.00 1.00 H new ATOM 0 HH22 ARG A 66 1.132 6.528 -5.397 1.00 1.00 H new ATOM 967 N ASP A 67 6.993 12.678 -3.062 1.00 1.00 N ATOM 968 CA ASP A 67 8.208 12.844 -3.855 1.00 1.00 C ATOM 969 C ASP A 67 9.356 12.028 -3.270 1.00 1.00 C ATOM 970 O ASP A 67 10.068 11.333 -3.994 1.00 1.00 O ATOM 971 CB ASP A 67 8.604 14.319 -3.908 1.00 1.00 C ATOM 972 CG ASP A 67 9.595 14.549 -5.045 1.00 1.00 C ATOM 973 OD1 ASP A 67 9.160 14.582 -6.184 1.00 1.00 O ATOM 974 OD2 ASP A 67 10.774 14.678 -4.761 1.00 1.00 O ATOM 0 H ASP A 67 6.605 13.546 -2.692 1.00 1.00 H new ATOM 0 HA ASP A 67 8.004 12.486 -4.864 1.00 1.00 H new ATOM 0 HB2 ASP A 67 7.718 14.937 -4.055 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.049 14.620 -2.959 1.00 1.00 H new ATOM 979 N ARG A 68 9.532 12.117 -1.957 1.00 1.00 N ATOM 980 CA ARG A 68 10.598 11.382 -1.287 1.00 1.00 C ATOM 981 C ARG A 68 10.288 9.888 -1.279 1.00 1.00 C ATOM 982 O ARG A 68 11.178 9.058 -1.465 1.00 1.00 O ATOM 983 CB ARG A 68 10.750 11.889 0.151 1.00 1.00 C ATOM 984 CG ARG A 68 11.651 13.129 0.173 1.00 1.00 C ATOM 985 CD ARG A 68 11.162 14.109 1.243 1.00 1.00 C ATOM 986 NE ARG A 68 10.657 13.387 2.405 1.00 1.00 N ATOM 987 CZ ARG A 68 10.583 13.973 3.595 1.00 1.00 C ATOM 988 NH1 ARG A 68 10.958 15.215 3.736 1.00 1.00 N ATOM 989 NH2 ARG A 68 10.138 13.305 4.624 1.00 1.00 N ATOM 0 H ARG A 68 8.955 12.687 -1.339 1.00 1.00 H new ATOM 0 HA ARG A 68 11.531 11.543 -1.828 1.00 1.00 H new ATOM 0 HB2 ARG A 68 9.772 12.132 0.566 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.177 11.107 0.779 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.681 12.837 0.378 1.00 1.00 H new ATOM 0 HG3 ARG A 68 11.645 13.611 -0.804 1.00 1.00 H new ATOM 0 HD2 ARG A 68 11.978 14.766 1.543 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.376 14.743 0.832 1.00 1.00 H new ATOM 0 HE ARG A 68 10.356 12.418 2.303 1.00 1.00 H new ATOM 0 HH11 ARG A 68 11.308 15.736 2.932 1.00 1.00 H new ATOM 0 HH12 ARG A 68 10.901 15.664 4.650 1.00 1.00 H new ATOM 0 HH21 ARG A 68 9.847 12.333 4.514 1.00 1.00 H new ATOM 0 HH22 ARG A 68 10.081 13.754 5.538 1.00 1.00 H new ATOM 1003 N ALA A 69 9.021 9.557 -1.064 1.00 1.00 N ATOM 1004 CA ALA A 69 8.594 8.161 -1.033 1.00 1.00 C ATOM 1005 C ALA A 69 8.743 7.510 -2.404 1.00 1.00 C ATOM 1006 O ALA A 69 8.986 6.308 -2.508 1.00 1.00 O ATOM 1007 CB ALA A 69 7.130 8.079 -0.603 1.00 1.00 C ATOM 0 H ALA A 69 8.272 10.232 -0.909 1.00 1.00 H new ATOM 0 HA ALA A 69 9.227 7.631 -0.321 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.815 7.036 -0.581 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.018 8.513 0.391 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.511 8.630 -1.311 1.00 1.00 H new ATOM 1013 N GLN A 70 8.572 8.308 -3.452 1.00 1.00 N ATOM 1014 CA GLN A 70 8.663 7.793 -4.814 1.00 1.00 C ATOM 1015 C GLN A 70 10.097 7.404 -5.162 1.00 1.00 C ATOM 1016 O GLN A 70 10.326 6.426 -5.876 1.00 1.00 O ATOM 1017 CB GLN A 70 8.165 8.850 -5.803 1.00 1.00 C ATOM 1018 CG GLN A 70 7.746 8.178 -7.113 1.00 1.00 C ATOM 1019 CD GLN A 70 8.203 9.018 -8.301 1.00 1.00 C ATOM 1020 OE1 GLN A 70 7.414 9.301 -9.204 1.00 1.00 O ATOM 1021 NE2 GLN A 70 9.440 9.432 -8.359 1.00 1.00 N ATOM 0 H GLN A 70 8.371 9.306 -3.387 1.00 1.00 H new ATOM 0 HA GLN A 70 8.039 6.902 -4.881 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.321 9.392 -5.376 1.00 1.00 H new ATOM 0 HB3 GLN A 70 8.950 9.581 -5.994 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.180 7.180 -7.174 1.00 1.00 H new ATOM 0 HG3 GLN A 70 6.663 8.056 -7.139 1.00 1.00 H new ATOM 0 HE21 GLN A 70 10.092 9.197 -7.611 1.00 1.00 H new ATOM 0 HE22 GLN A 70 9.754 9.990 -9.153 1.00 1.00 H new ATOM 1030 N ALA A 71 11.054 8.175 -4.666 1.00 1.00 N ATOM 1031 CA ALA A 71 12.459 7.902 -4.944 1.00 1.00 C ATOM 1032 C ALA A 71 12.920 6.633 -4.229 1.00 1.00 C ATOM 1033 O ALA A 71 13.711 5.859 -4.770 1.00 1.00 O ATOM 1034 CB ALA A 71 13.314 9.088 -4.500 1.00 1.00 C ATOM 0 H ALA A 71 10.887 8.988 -4.074 1.00 1.00 H new ATOM 0 HA ALA A 71 12.575 7.752 -6.017 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.363 8.879 -4.710 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.006 9.982 -5.043 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.183 9.250 -3.430 1.00 1.00 H new ATOM 1040 N VAL A 72 12.420 6.420 -3.014 1.00 1.00 N ATOM 1041 CA VAL A 72 12.789 5.235 -2.246 1.00 1.00 C ATOM 1042 C VAL A 72 12.373 3.974 -2.994 1.00 1.00 C ATOM 1043 O VAL A 72 13.130 3.009 -3.094 1.00 1.00 O ATOM 1044 CB VAL A 72 12.101 5.260 -0.879 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.535 4.045 -0.056 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.491 6.541 -0.136 1.00 1.00 C ATOM 0 H VAL A 72 11.765 7.046 -2.545 1.00 1.00 H new ATOM 0 HA VAL A 72 13.870 5.234 -2.109 1.00 1.00 H new ATOM 0 HB VAL A 72 11.021 5.231 -1.021 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.042 4.069 0.916 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.257 3.131 -0.582 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.616 4.068 0.085 1.00 1.00 H new ATOM 0 HG21 VAL A 72 12.002 6.560 0.838 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.572 6.568 0.001 1.00 1.00 H new ATOM 0 HG23 VAL A 72 12.177 7.408 -0.717 1.00 1.00 H new ATOM 1056 N GLU A 73 11.155 4.000 -3.514 1.00 1.00 N ATOM 1057 CA GLU A 73 10.621 2.867 -4.259 1.00 1.00 C ATOM 1058 C GLU A 73 11.409 2.649 -5.548 1.00 1.00 C ATOM 1059 O GLU A 73 11.591 1.515 -5.989 1.00 1.00 O ATOM 1060 CB GLU A 73 9.149 3.110 -4.596 1.00 1.00 C ATOM 1061 CG GLU A 73 8.335 3.197 -3.303 1.00 1.00 C ATOM 1062 CD GLU A 73 8.081 1.797 -2.752 1.00 1.00 C ATOM 1063 OE1 GLU A 73 7.213 1.122 -3.279 1.00 1.00 O ATOM 1064 OE2 GLU A 73 8.761 1.421 -1.811 1.00 1.00 O ATOM 0 H GLU A 73 10.517 4.792 -3.435 1.00 1.00 H new ATOM 0 HA GLU A 73 10.711 1.976 -3.637 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.044 4.032 -5.167 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.771 2.302 -5.222 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.870 3.795 -2.566 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.387 3.700 -3.493 1.00 1.00 H new ATOM 1071 N THR A 74 11.871 3.744 -6.149 1.00 1.00 N ATOM 1072 CA THR A 74 12.634 3.659 -7.389 1.00 1.00 C ATOM 1073 C THR A 74 14.019 3.077 -7.125 1.00 1.00 C ATOM 1074 O THR A 74 14.610 2.432 -7.990 1.00 1.00 O ATOM 1075 CB THR A 74 12.774 5.050 -8.010 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.511 5.702 -7.997 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.270 4.924 -9.451 1.00 1.00 C ATOM 0 H THR A 74 11.731 4.692 -5.800 1.00 1.00 H new ATOM 0 HA THR A 74 12.102 3.004 -8.079 1.00 1.00 H new ATOM 0 HB THR A 74 13.492 5.633 -7.433 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.390 6.164 -7.141 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.368 5.917 -9.890 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.239 4.426 -9.460 1.00 1.00 H new ATOM 0 HG23 THR A 74 12.556 4.340 -10.032 1.00 1.00 H new ATOM 1085 N TYR A 75 14.526 3.312 -5.922 1.00 1.00 N ATOM 1086 CA TYR A 75 15.841 2.814 -5.544 1.00 1.00 C ATOM 1087 C TYR A 75 15.842 1.288 -5.495 1.00 1.00 C ATOM 1088 O TYR A 75 16.730 0.640 -6.049 1.00 1.00 O ATOM 1089 CB TYR A 75 16.218 3.377 -4.173 1.00 1.00 C ATOM 1090 CG TYR A 75 17.522 2.779 -3.712 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.536 1.535 -3.071 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.720 3.473 -3.919 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.748 0.984 -2.635 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.931 2.924 -3.482 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.946 1.681 -2.841 1.00 1.00 C ATOM 1096 OH TYR A 75 21.140 1.140 -2.410 1.00 1.00 O ATOM 0 H TYR A 75 14.048 3.843 -5.194 1.00 1.00 H new ATOM 0 HA TYR A 75 16.570 3.136 -6.288 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.305 4.462 -4.228 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.432 3.156 -3.451 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.612 0.999 -2.912 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.710 4.432 -4.416 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.759 0.024 -2.141 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.855 3.461 -3.640 1.00 1.00 H new ATOM 0 HH TYR A 75 21.874 1.750 -2.632 1.00 1.00 H new ATOM 1106 N LEU A 76 14.841 0.722 -4.830 1.00 1.00 N ATOM 1107 CA LEU A 76 14.731 -0.730 -4.712 1.00 1.00 C ATOM 1108 C LEU A 76 14.516 -1.380 -6.077 1.00 1.00 C ATOM 1109 O LEU A 76 15.044 -2.458 -6.347 1.00 1.00 O ATOM 1110 CB LEU A 76 13.557 -1.086 -3.799 1.00 1.00 C ATOM 1111 CG LEU A 76 13.663 -2.554 -3.360 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.859 -2.747 -2.418 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.379 -2.963 -2.631 1.00 1.00 C ATOM 0 H LEU A 76 14.097 1.242 -4.366 1.00 1.00 H new ATOM 0 HA LEU A 76 15.663 -1.105 -4.290 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.555 -0.435 -2.925 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.615 -0.921 -4.322 1.00 1.00 H new ATOM 0 HG LEU A 76 13.804 -3.174 -4.245 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.920 -3.793 -2.116 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.777 -2.464 -2.933 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.731 -2.121 -1.535 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.454 -4.005 -2.319 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.241 -2.331 -1.754 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.527 -2.845 -3.301 1.00 1.00 H new ATOM 1125 N LYS A 77 13.732 -0.727 -6.929 1.00 1.00 N ATOM 1126 CA LYS A 77 13.452 -1.261 -8.252 1.00 1.00 C ATOM 1127 C LYS A 77 14.752 -1.468 -9.025 1.00 1.00 C ATOM 1128 O LYS A 77 14.940 -2.494 -9.676 1.00 1.00 O ATOM 1129 CB LYS A 77 12.513 -0.297 -8.997 1.00 1.00 C ATOM 1130 CG LYS A 77 12.936 -0.138 -10.461 1.00 1.00 C ATOM 1131 CD LYS A 77 11.849 0.624 -11.225 1.00 1.00 C ATOM 1132 CE LYS A 77 11.684 2.023 -10.634 1.00 1.00 C ATOM 1133 NZ LYS A 77 11.197 2.954 -11.691 1.00 1.00 N ATOM 0 H LYS A 77 13.283 0.166 -6.727 1.00 1.00 H new ATOM 0 HA LYS A 77 12.962 -2.230 -8.161 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.490 -0.671 -8.949 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.520 0.676 -8.505 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.883 0.399 -10.521 1.00 1.00 H new ATOM 0 HG3 LYS A 77 13.096 -1.117 -10.913 1.00 1.00 H new ATOM 0 HD2 LYS A 77 12.114 0.694 -12.280 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.905 0.082 -11.169 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.979 1.998 -9.803 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.635 2.375 -10.234 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.860 3.834 -11.250 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 11.974 3.171 -12.347 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 10.416 2.508 -12.214 1.00 1.00 H new ATOM 1147 N LYS A 78 15.641 -0.487 -8.949 1.00 1.00 N ATOM 1148 CA LYS A 78 16.917 -0.573 -9.648 1.00 1.00 C ATOM 1149 C LYS A 78 17.756 -1.728 -9.104 1.00 1.00 C ATOM 1150 O LYS A 78 18.421 -2.433 -9.861 1.00 1.00 O ATOM 1151 CB LYS A 78 17.686 0.740 -9.486 1.00 1.00 C ATOM 1152 CG LYS A 78 16.965 1.854 -10.250 1.00 1.00 C ATOM 1153 CD LYS A 78 17.485 1.911 -11.687 1.00 1.00 C ATOM 1154 CE LYS A 78 18.713 2.822 -11.753 1.00 1.00 C ATOM 1155 NZ LYS A 78 18.278 4.247 -11.728 1.00 1.00 N ATOM 0 H LYS A 78 15.505 0.371 -8.415 1.00 1.00 H new ATOM 0 HA LYS A 78 16.719 -0.754 -10.705 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.763 1.000 -8.430 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.703 0.627 -9.862 1.00 1.00 H new ATOM 0 HG2 LYS A 78 15.890 1.673 -10.249 1.00 1.00 H new ATOM 0 HG3 LYS A 78 17.127 2.812 -9.756 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.744 0.910 -12.031 1.00 1.00 H new ATOM 0 HD3 LYS A 78 16.706 2.285 -12.352 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.375 2.618 -10.912 1.00 1.00 H new ATOM 0 HE3 LYS A 78 19.280 2.620 -12.662 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.050 4.852 -12.073 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 17.445 4.367 -12.339 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 18.034 4.519 -10.754 1.00 1.00 H new ATOM 1169 N LEU A 79 17.716 -1.915 -7.789 1.00 1.00 N ATOM 1170 CA LEU A 79 18.478 -2.991 -7.162 1.00 1.00 C ATOM 1171 C LEU A 79 17.902 -4.353 -7.540 1.00 1.00 C ATOM 1172 O LEU A 79 18.637 -5.265 -7.919 1.00 1.00 O ATOM 1173 CB LEU A 79 18.461 -2.832 -5.641 1.00 1.00 C ATOM 1174 CG LEU A 79 19.784 -2.221 -5.169 1.00 1.00 C ATOM 1175 CD1 LEU A 79 19.966 -0.836 -5.794 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.770 -2.094 -3.644 1.00 1.00 C ATOM 0 H LEU A 79 17.172 -1.344 -7.143 1.00 1.00 H new ATOM 0 HA LEU A 79 19.506 -2.933 -7.520 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.628 -2.195 -5.342 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.308 -3.801 -5.166 1.00 1.00 H new ATOM 0 HG LEU A 79 20.608 -2.865 -5.475 1.00 1.00 H new ATOM 0 HD11 LEU A 79 20.908 -0.405 -5.456 1.00 1.00 H new ATOM 0 HD12 LEU A 79 19.977 -0.926 -6.880 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.142 -0.189 -5.492 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.711 -1.659 -3.306 1.00 1.00 H new ATOM 0 HD22 LEU A 79 18.944 -1.451 -3.340 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.645 -3.081 -3.198 1.00 1.00 H new ATOM 1188 N ILE A 80 16.583 -4.483 -7.433 1.00 1.00 N ATOM 1189 CA ILE A 80 15.918 -5.738 -7.764 1.00 1.00 C ATOM 1190 C ILE A 80 15.977 -6.005 -9.266 1.00 1.00 C ATOM 1191 O ILE A 80 16.196 -7.137 -9.696 1.00 1.00 O ATOM 1192 CB ILE A 80 14.460 -5.694 -7.307 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.391 -5.995 -5.806 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.651 -6.740 -8.078 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.986 -5.695 -5.279 1.00 1.00 C ATOM 0 H ILE A 80 15.957 -3.740 -7.122 1.00 1.00 H new ATOM 0 HA ILE A 80 16.437 -6.545 -7.247 1.00 1.00 H new ATOM 0 HB ILE A 80 14.046 -4.704 -7.500 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.642 -7.040 -5.624 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.126 -5.393 -5.271 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.611 -6.709 -7.752 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.703 -6.526 -9.146 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.062 -7.731 -7.886 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.944 -5.911 -4.211 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.752 -4.644 -5.446 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.260 -6.316 -5.804 1.00 1.00 H new ATOM 1207 N ALA A 81 15.774 -4.957 -10.057 1.00 1.00 N ATOM 1208 CA ALA A 81 15.798 -5.090 -11.510 1.00 1.00 C ATOM 1209 C ALA A 81 17.215 -5.363 -12.008 1.00 1.00 C ATOM 1210 O ALA A 81 17.405 -5.940 -13.079 1.00 1.00 O ATOM 1211 CB ALA A 81 15.265 -3.813 -12.160 1.00 1.00 C ATOM 0 H ALA A 81 15.592 -4.012 -9.720 1.00 1.00 H new ATOM 0 HA ALA A 81 15.163 -5.932 -11.785 1.00 1.00 H new ATOM 0 HB1 ALA A 81 15.286 -3.921 -13.244 1.00 1.00 H new ATOM 0 HB2 ALA A 81 14.240 -3.639 -11.833 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.888 -2.968 -11.867 1.00 1.00 H new ATOM 1306 N LYS A 88 15.545 -6.957 0.846 1.00 1.00 N ATOM 1307 CA LYS A 88 14.581 -6.985 1.942 1.00 1.00 C ATOM 1308 C LYS A 88 14.548 -5.644 2.663 1.00 1.00 C ATOM 1309 O LYS A 88 14.894 -5.552 3.841 1.00 1.00 O ATOM 1310 CB LYS A 88 14.949 -8.090 2.934 1.00 1.00 C ATOM 1311 CG LYS A 88 15.208 -9.393 2.175 1.00 1.00 C ATOM 1312 CD LYS A 88 14.538 -10.555 2.911 1.00 1.00 C ATOM 1313 CE LYS A 88 15.068 -10.627 4.344 1.00 1.00 C ATOM 1314 NZ LYS A 88 15.450 -12.033 4.663 1.00 1.00 N ATOM 0 HA LYS A 88 13.594 -7.184 1.525 1.00 1.00 H new ATOM 0 HB2 LYS A 88 15.836 -7.804 3.500 1.00 1.00 H new ATOM 0 HB3 LYS A 88 14.143 -8.230 3.654 1.00 1.00 H new ATOM 0 HG2 LYS A 88 14.818 -9.319 1.160 1.00 1.00 H new ATOM 0 HG3 LYS A 88 16.280 -9.571 2.092 1.00 1.00 H new ATOM 0 HD2 LYS A 88 13.457 -10.419 2.919 1.00 1.00 H new ATOM 0 HD3 LYS A 88 14.738 -11.492 2.391 1.00 1.00 H new ATOM 0 HE2 LYS A 88 15.930 -9.970 4.458 1.00 1.00 H new ATOM 0 HE3 LYS A 88 14.307 -10.278 5.042 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 15.810 -12.082 5.637 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 14.617 -12.649 4.570 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 16.189 -12.350 4.004 1.00 1.00 H new ATOM 1328 N ILE A 89 14.133 -4.602 1.948 1.00 1.00 N ATOM 1329 CA ILE A 89 14.063 -3.269 2.534 1.00 1.00 C ATOM 1330 C ILE A 89 13.389 -3.317 3.902 1.00 1.00 C ATOM 1331 O ILE A 89 12.391 -4.011 4.090 1.00 1.00 O ATOM 1332 CB ILE A 89 13.305 -2.319 1.584 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.320 -1.406 0.887 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.291 -1.455 2.358 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.617 -0.555 -0.170 1.00 1.00 C ATOM 0 H ILE A 89 13.843 -4.654 0.972 1.00 1.00 H new ATOM 0 HA ILE A 89 15.076 -2.891 2.673 1.00 1.00 H new ATOM 0 HB ILE A 89 12.759 -2.915 0.853 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.806 -0.762 1.620 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.102 -2.006 0.422 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.771 -0.795 1.664 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.568 -2.101 2.856 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.816 -0.857 3.103 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.345 0.091 -0.660 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.152 -1.206 -0.911 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.852 0.058 0.306 1.00 1.00 H new ATOM 1347 N THR A 90 13.936 -2.552 4.842 1.00 1.00 N ATOM 1348 CA THR A 90 13.381 -2.483 6.188 1.00 1.00 C ATOM 1349 C THR A 90 13.090 -1.030 6.555 1.00 1.00 C ATOM 1350 O THR A 90 13.415 -0.114 5.799 1.00 1.00 O ATOM 1351 CB THR A 90 14.362 -3.082 7.200 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.311 -2.096 7.580 1.00 1.00 O ATOM 1353 CG2 THR A 90 15.085 -4.275 6.571 1.00 1.00 C ATOM 0 H THR A 90 14.762 -1.972 4.696 1.00 1.00 H new ATOM 0 HA THR A 90 12.454 -3.056 6.213 1.00 1.00 H new ATOM 0 HB THR A 90 13.814 -3.417 8.081 1.00 1.00 H new ATOM 0 HG1 THR A 90 15.938 -2.478 8.229 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.783 -4.700 7.293 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.355 -5.032 6.283 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.633 -3.944 5.688 1.00 1.00 H new ATOM 1361 N GLU A 91 12.474 -0.826 7.712 1.00 1.00 N ATOM 1362 CA GLU A 91 12.142 0.520 8.165 1.00 1.00 C ATOM 1363 C GLU A 91 13.386 1.399 8.176 1.00 1.00 C ATOM 1364 O GLU A 91 13.307 2.614 7.989 1.00 1.00 O ATOM 1365 CB GLU A 91 11.548 0.457 9.576 1.00 1.00 C ATOM 1366 CG GLU A 91 10.904 1.802 9.924 1.00 1.00 C ATOM 1367 CD GLU A 91 10.841 1.973 11.438 1.00 1.00 C ATOM 1368 OE1 GLU A 91 11.887 2.172 12.034 1.00 1.00 O ATOM 1369 OE2 GLU A 91 9.750 1.902 11.978 1.00 1.00 O ATOM 0 H GLU A 91 12.195 -1.570 8.351 1.00 1.00 H new ATOM 0 HA GLU A 91 11.412 0.950 7.479 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.805 -0.339 9.633 1.00 1.00 H new ATOM 0 HB3 GLU A 91 12.328 0.218 10.299 1.00 1.00 H new ATOM 0 HG2 GLU A 91 11.479 2.615 9.481 1.00 1.00 H new ATOM 0 HG3 GLU A 91 9.901 1.854 9.502 1.00 1.00 H new ATOM 1376 N ALA A 92 14.531 0.771 8.401 1.00 1.00 N ATOM 1377 CA ALA A 92 15.796 1.495 8.447 1.00 1.00 C ATOM 1378 C ALA A 92 16.324 1.757 7.042 1.00 1.00 C ATOM 1379 O ALA A 92 16.897 2.814 6.774 1.00 1.00 O ATOM 1380 CB ALA A 92 16.828 0.691 9.239 1.00 1.00 C ATOM 0 H ALA A 92 14.612 -0.234 8.554 1.00 1.00 H new ATOM 0 HA ALA A 92 15.623 2.453 8.938 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.770 1.238 9.269 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.466 0.536 10.255 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.984 -0.275 8.758 1.00 1.00 H new ATOM 1386 N GLU A 93 16.132 0.795 6.147 1.00 1.00 N ATOM 1387 CA GLU A 93 16.601 0.945 4.777 1.00 1.00 C ATOM 1388 C GLU A 93 15.882 2.102 4.095 1.00 1.00 C ATOM 1389 O GLU A 93 16.514 2.933 3.450 1.00 1.00 O ATOM 1390 CB GLU A 93 16.366 -0.343 3.989 1.00 1.00 C ATOM 1391 CG GLU A 93 17.001 -1.522 4.732 1.00 1.00 C ATOM 1392 CD GLU A 93 18.521 -1.424 4.675 1.00 1.00 C ATOM 1393 OE1 GLU A 93 19.088 -0.786 5.547 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.098 -2.007 3.772 1.00 1.00 O ATOM 0 H GLU A 93 15.660 -0.088 6.343 1.00 1.00 H new ATOM 0 HA GLU A 93 17.670 1.155 4.802 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.297 -0.513 3.862 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.796 -0.255 2.991 1.00 1.00 H new ATOM 0 HG2 GLU A 93 16.669 -1.528 5.770 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.673 -2.461 4.286 1.00 1.00 H new ATOM 1401 N ILE A 94 14.560 2.154 4.256 1.00 1.00 N ATOM 1402 CA ILE A 94 13.766 3.223 3.653 1.00 1.00 C ATOM 1403 C ILE A 94 14.196 4.563 4.224 1.00 1.00 C ATOM 1404 O ILE A 94 14.417 5.524 3.486 1.00 1.00 O ATOM 1405 CB ILE A 94 12.280 2.989 3.953 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.683 2.065 2.891 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.527 4.322 3.949 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.486 1.316 3.479 1.00 1.00 C ATOM 0 H ILE A 94 14.021 1.475 4.794 1.00 1.00 H new ATOM 0 HA ILE A 94 13.922 3.225 2.574 1.00 1.00 H new ATOM 0 HB ILE A 94 12.185 2.528 4.936 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.371 2.646 2.023 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.436 1.356 2.547 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.473 4.145 4.163 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.947 4.979 4.711 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.625 4.792 2.970 1.00 1.00 H new ATOM 0 HD11 ILE A 94 10.061 0.658 2.721 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.812 0.723 4.334 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.731 2.033 3.802 1.00 1.00 H new ATOM 1420 N VAL A 95 14.341 4.613 5.538 1.00 1.00 N ATOM 1421 CA VAL A 95 14.779 5.832 6.193 1.00 1.00 C ATOM 1422 C VAL A 95 16.133 6.242 5.634 1.00 1.00 C ATOM 1423 O VAL A 95 16.405 7.425 5.433 1.00 1.00 O ATOM 1424 CB VAL A 95 14.891 5.612 7.703 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.639 6.786 8.336 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.489 5.516 8.310 1.00 1.00 C ATOM 0 H VAL A 95 14.163 3.830 6.167 1.00 1.00 H new ATOM 0 HA VAL A 95 14.049 6.620 6.007 1.00 1.00 H new ATOM 0 HB VAL A 95 15.436 4.688 7.895 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.719 6.629 9.412 1.00 1.00 H new ATOM 0 HG12 VAL A 95 16.638 6.856 7.905 1.00 1.00 H new ATOM 0 HG13 VAL A 95 15.095 7.711 8.144 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.568 5.359 9.386 1.00 1.00 H new ATOM 0 HG22 VAL A 95 12.945 6.441 8.117 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.954 4.680 7.860 1.00 1.00 H new ATOM 1436 N SER A 96 16.980 5.245 5.400 1.00 1.00 N ATOM 1437 CA SER A 96 18.320 5.492 4.876 1.00 1.00 C ATOM 1438 C SER A 96 18.260 6.210 3.535 1.00 1.00 C ATOM 1439 O SER A 96 18.983 7.182 3.314 1.00 1.00 O ATOM 1440 CB SER A 96 19.069 4.170 4.714 1.00 1.00 C ATOM 1441 OG SER A 96 18.779 3.620 3.434 1.00 1.00 O ATOM 0 H SER A 96 16.764 4.262 5.564 1.00 1.00 H new ATOM 0 HA SER A 96 18.848 6.128 5.586 1.00 1.00 H new ATOM 0 HB2 SER A 96 20.142 4.331 4.819 1.00 1.00 H new ATOM 0 HB3 SER A 96 18.773 3.473 5.498 1.00 1.00 H new ATOM 0 HG SER A 96 18.014 3.012 3.505 1.00 1.00 H new ATOM 1447 N ILE A 97 17.393 5.742 2.643 1.00 1.00 N ATOM 1448 CA ILE A 97 17.270 6.379 1.338 1.00 1.00 C ATOM 1449 C ILE A 97 16.599 7.735 1.496 1.00 1.00 C ATOM 1450 O ILE A 97 17.035 8.728 0.915 1.00 1.00 O ATOM 1451 CB ILE A 97 16.459 5.509 0.370 1.00 1.00 C ATOM 1452 CG1 ILE A 97 16.650 4.025 0.715 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.950 5.783 -1.056 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.541 3.163 -0.547 1.00 1.00 C ATOM 0 H ILE A 97 16.778 4.942 2.794 1.00 1.00 H new ATOM 0 HA ILE A 97 18.270 6.507 0.923 1.00 1.00 H new ATOM 0 HB ILE A 97 15.399 5.749 0.451 1.00 1.00 H new ATOM 0 HG12 ILE A 97 17.624 3.876 1.181 1.00 1.00 H new ATOM 0 HG13 ILE A 97 15.898 3.715 1.441 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.384 5.172 -1.759 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.807 6.837 -1.294 1.00 1.00 H new ATOM 0 HG23 ILE A 97 18.009 5.535 -1.130 1.00 1.00 H new ATOM 0 HD11 ILE A 97 16.679 2.114 -0.284 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.557 3.298 -0.996 1.00 1.00 H new ATOM 0 HD13 ILE A 97 17.309 3.462 -1.260 1.00 1.00 H new ATOM 1466 N LEU A 98 15.539 7.769 2.295 1.00 1.00 N ATOM 1467 CA LEU A 98 14.816 9.009 2.540 1.00 1.00 C ATOM 1468 C LEU A 98 15.771 10.083 3.052 1.00 1.00 C ATOM 1469 O LEU A 98 15.674 11.248 2.668 1.00 1.00 O ATOM 1470 CB LEU A 98 13.711 8.768 3.573 1.00 1.00 C ATOM 1471 CG LEU A 98 12.470 9.583 3.206 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.373 9.334 4.241 1.00 1.00 C ATOM 1473 CD2 LEU A 98 12.823 11.072 3.189 1.00 1.00 C ATOM 0 H LEU A 98 15.163 6.955 2.782 1.00 1.00 H new ATOM 0 HA LEU A 98 14.370 9.348 1.605 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.462 7.707 3.612 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.061 9.050 4.566 1.00 1.00 H new ATOM 0 HG LEU A 98 12.117 9.281 2.220 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.488 9.915 3.980 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.120 8.274 4.255 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.727 9.636 5.227 1.00 1.00 H new ATOM 0 HD21 LEU A 98 11.938 11.653 2.927 1.00 1.00 H new ATOM 0 HD22 LEU A 98 13.176 11.373 4.175 1.00 1.00 H new ATOM 0 HD23 LEU A 98 13.606 11.252 2.452 1.00 1.00 H new ATOM 1485 N ASN A 99 16.693 9.678 3.919 1.00 1.00 N ATOM 1486 CA ASN A 99 17.666 10.610 4.478 1.00 1.00 C ATOM 1487 C ASN A 99 18.631 11.086 3.398 1.00 1.00 C ATOM 1488 O ASN A 99 19.093 12.227 3.424 1.00 1.00 O ATOM 1489 CB ASN A 99 18.448 9.932 5.606 1.00 1.00 C ATOM 1490 CG ASN A 99 18.027 10.514 6.951 1.00 1.00 C ATOM 1491 OD1 ASN A 99 18.695 11.402 7.482 1.00 1.00 O ATOM 1492 ND2 ASN A 99 16.950 10.067 7.534 1.00 1.00 N ATOM 0 H ASN A 99 16.787 8.717 4.248 1.00 1.00 H new ATOM 0 HA ASN A 99 17.132 11.473 4.876 1.00 1.00 H new ATOM 0 HB2 ASN A 99 18.266 8.857 5.592 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.518 10.076 5.456 1.00 1.00 H new ATOM 0 HD21 ASN A 99 16.659 10.453 8.432 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.399 9.331 7.092 1.00 1.00 H new ATOM 1499 N GLY A 100 18.932 10.205 2.450 1.00 1.00 N ATOM 1500 CA GLY A 100 19.843 10.545 1.365 1.00 1.00 C ATOM 1501 C GLY A 100 19.120 11.320 0.268 1.00 1.00 C ATOM 1502 O GLY A 100 19.711 12.170 -0.399 1.00 1.00 O ATOM 0 H GLY A 100 18.561 9.256 2.411 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.669 11.141 1.752 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.274 9.635 0.949 1.00 1.00 H new ATOM 1506 N ILE A 101 17.839 11.018 0.083 1.00 1.00 N ATOM 1507 CA ILE A 101 17.043 11.693 -0.937 1.00 1.00 C ATOM 1508 C ILE A 101 16.680 13.104 -0.486 1.00 1.00 C ATOM 1509 O ILE A 101 16.624 14.029 -1.296 1.00 1.00 O ATOM 1510 CB ILE A 101 15.765 10.897 -1.211 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.101 9.678 -2.071 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.759 11.781 -1.952 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.141 8.536 -1.731 1.00 1.00 C ATOM 0 H ILE A 101 17.332 10.315 0.622 1.00 1.00 H new ATOM 0 HA ILE A 101 17.634 11.757 -1.851 1.00 1.00 H new ATOM 0 HB ILE A 101 15.332 10.570 -0.266 1.00 1.00 H new ATOM 0 HG12 ILE A 101 16.022 9.932 -3.128 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.131 9.367 -1.894 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.849 11.213 -2.146 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.520 12.651 -1.341 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.191 12.110 -2.897 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.379 7.666 -2.343 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.243 8.277 -0.677 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.117 8.850 -1.930 1.00 1.00 H new ATOM 1525 N ALA A 102 16.433 13.260 0.811 1.00 1.00 N ATOM 1526 CA ALA A 102 16.074 14.563 1.357 1.00 1.00 C ATOM 1527 C ALA A 102 17.192 15.571 1.115 1.00 1.00 C ATOM 1528 O ALA A 102 16.946 16.772 1.012 1.00 1.00 O ATOM 1529 CB ALA A 102 15.809 14.445 2.859 1.00 1.00 C ATOM 0 H ALA A 102 16.474 12.507 1.498 1.00 1.00 H new ATOM 0 HA ALA A 102 15.171 14.910 0.855 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.541 15.423 3.259 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.990 13.746 3.030 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.707 14.081 3.359 1.00 1.00 H new ATOM 1535 N LYS A 103 18.421 15.074 1.023 1.00 1.00 N ATOM 1536 CA LYS A 103 19.570 15.942 0.792 1.00 1.00 C ATOM 1537 C LYS A 103 19.644 16.351 -0.676 1.00 1.00 C ATOM 1538 O LYS A 103 19.989 17.488 -0.997 1.00 1.00 O ATOM 1539 CB LYS A 103 20.858 15.221 1.187 1.00 1.00 C ATOM 1540 CG LYS A 103 21.801 16.204 1.885 1.00 1.00 C ATOM 1541 CD LYS A 103 23.209 15.612 1.938 1.00 1.00 C ATOM 1542 CE LYS A 103 24.004 16.066 0.712 1.00 1.00 C ATOM 1543 NZ LYS A 103 24.147 17.548 0.734 1.00 1.00 N ATOM 0 H LYS A 103 18.646 14.082 1.104 1.00 1.00 H new ATOM 0 HA LYS A 103 19.454 16.837 1.403 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.631 14.386 1.850 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.340 14.804 0.302 1.00 1.00 H new ATOM 0 HG2 LYS A 103 21.814 17.153 1.350 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.445 16.412 2.894 1.00 1.00 H new ATOM 0 HD2 LYS A 103 23.714 15.931 2.850 1.00 1.00 H new ATOM 0 HD3 LYS A 103 23.156 14.524 1.967 1.00 1.00 H new ATOM 0 HE2 LYS A 103 24.987 15.595 0.708 1.00 1.00 H new ATOM 0 HE3 LYS A 103 23.497 15.752 -0.200 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 25.067 17.814 0.328 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 23.384 17.979 0.174 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 24.090 17.888 1.715 1.00 1.00 H new ATOM 1557 N GLN A 104 19.318 15.417 -1.563 1.00 1.00 N ATOM 1558 CA GLN A 104 19.352 15.692 -2.995 1.00 1.00 C ATOM 1559 C GLN A 104 18.311 16.747 -3.362 1.00 1.00 C ATOM 1560 O GLN A 104 18.646 17.793 -3.918 1.00 1.00 O ATOM 1561 CB GLN A 104 19.079 14.408 -3.781 1.00 1.00 C ATOM 1562 CG GLN A 104 20.201 13.401 -3.522 1.00 1.00 C ATOM 1563 CD GLN A 104 21.446 13.795 -4.307 1.00 1.00 C ATOM 1564 OE1 GLN A 104 21.429 14.777 -5.049 1.00 1.00 O ATOM 1565 NE2 GLN A 104 22.534 13.083 -4.187 1.00 1.00 N ATOM 0 H GLN A 104 19.029 14.470 -1.318 1.00 1.00 H new ATOM 0 HA GLN A 104 20.342 16.069 -3.250 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.120 13.984 -3.483 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.013 14.629 -4.846 1.00 1.00 H new ATOM 0 HG2 GLN A 104 20.429 13.364 -2.457 1.00 1.00 H new ATOM 0 HG3 GLN A 104 19.878 12.402 -3.814 1.00 1.00 H new ATOM 0 HE21 GLN A 104 22.546 12.270 -3.572 1.00 1.00 H new ATOM 0 HE22 GLN A 104 23.372 13.340 -4.709 1.00 1.00 H new