USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 767 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 70 GLN : amide:sc=-0.00801 K(o=-0.25,f=-0.8) USER MOD Set 1.2: A 73 GLN : amide:sc= -0.242 K(o=-0.25,f=-2!) USER MOD Set 2.1: A 9 THR OG1 : rot -76:sc= 1.79 USER MOD Set 2.2: A 46 HIS : no HE2:sc= 1.03 K(o=2.8,f=-5.8!) USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= -0.0378 (180deg=-0.382) USER MOD Single : A 8 GLN : amide:sc=-0.00218 K(o=-0.0022,f=-0.97) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.22) USER MOD Single : A 31 SER OG : rot -22:sc= -2.7! USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 44 GLN : amide:sc= 0.62 K(o=0.62,f=-0.79) USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= 0.893 (180deg=0.658) USER MOD Single : A 48 GLN : amide:sc= -0.0131 K(o=-0.013,f=-1) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= -0.177 (180deg=-0.669) USER MOD Single : A 64 GLN : amide:sc= -7.12! C(o=-7.1!,f=-8!) USER MOD Single : A 67 GLN : amide:sc= -0.0114 K(o=-0.011,f=-2!) USER MOD Single : A 81 LYS NZ :NH3+ -116:sc= 1.25 (180deg=-0.26) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0756 USER MOD Single : A 89 GLN : amide:sc= -0.763 X(o=-0.76,f=-0.85) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 99 GLN : amide:sc= 0.673 K(o=0.67,f=-8.8!) USER MOD Single : A 100 LYS NZ :NH3+ 161:sc= -0.0521 (180deg=-0.748) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -3.837 -4.210 -8.430 1.00 0.00 N ATOM 65 CA LYS A 5 -4.107 -3.250 -9.484 1.00 0.00 C ATOM 66 C LYS A 5 -4.017 -3.927 -10.846 1.00 0.00 C ATOM 67 O LYS A 5 -4.861 -3.708 -11.711 1.00 0.00 O ATOM 68 CB LYS A 5 -3.123 -2.088 -9.412 1.00 0.00 C ATOM 69 CG LYS A 5 -3.220 -1.272 -8.142 1.00 0.00 C ATOM 70 CD LYS A 5 -2.199 -0.150 -8.136 1.00 0.00 C ATOM 71 CE LYS A 5 -2.342 0.725 -6.907 1.00 0.00 C ATOM 72 NZ LYS A 5 -3.670 1.374 -6.849 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -5.116 -2.861 -9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.109 -2.479 -9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.290 -1.432 -10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.223 -0.856 -8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.061 -1.917 -7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.194 -0.571 -8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.320 0.458 -9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.192 0.122 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.564 1.488 -6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.634 2.179 -6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.933 1.712 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.378 0.688 -6.518 1.00 0.00 H new ATOM 86 N LEU A 6 -2.960 -4.717 -11.035 1.00 0.00 N ATOM 87 CA LEU A 6 -2.801 -5.513 -12.257 1.00 0.00 C ATOM 88 C LEU A 6 -4.079 -6.280 -12.580 1.00 0.00 C ATOM 89 O LEU A 6 -4.581 -6.200 -13.702 1.00 0.00 O ATOM 90 CB LEU A 6 -1.626 -6.493 -12.126 1.00 0.00 C ATOM 91 CG LEU A 6 -0.227 -5.888 -12.254 1.00 0.00 C ATOM 92 CD1 LEU A 6 0.833 -6.922 -11.907 1.00 0.00 C ATOM 93 CD2 LEU A 6 -0.006 -5.369 -13.666 1.00 0.00 C ATOM 0 H LEU A 6 -2.202 -4.824 -10.361 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.592 -4.822 -13.073 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.698 -6.988 -11.157 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.737 -7.265 -12.887 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.145 -5.056 -11.555 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.822 -6.475 -12.003 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.687 -7.263 -10.882 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.750 -7.770 -12.587 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.993 -4.941 -13.744 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.105 -6.191 -14.375 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.748 -4.603 -13.892 1.00 0.00 H new ATOM 105 N ARG A 7 -4.606 -7.007 -11.608 1.00 0.00 N ATOM 106 CA ARG A 7 -5.851 -7.741 -11.809 1.00 0.00 C ATOM 107 C ARG A 7 -7.026 -6.802 -12.055 1.00 0.00 C ATOM 108 O ARG A 7 -7.817 -7.017 -12.967 1.00 0.00 O ATOM 109 CB ARG A 7 -6.150 -8.660 -10.626 1.00 0.00 C ATOM 110 CG ARG A 7 -5.118 -9.750 -10.432 1.00 0.00 C ATOM 111 CD ARG A 7 -5.598 -10.801 -9.451 1.00 0.00 C ATOM 112 NE ARG A 7 -4.630 -11.886 -9.320 1.00 0.00 N ATOM 113 CZ ARG A 7 -4.873 -13.160 -9.628 1.00 0.00 C ATOM 114 NH1 ARG A 7 -6.073 -13.525 -10.073 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -3.915 -14.064 -9.492 1.00 0.00 N ATOM 0 H ARG A 7 -4.198 -7.106 -10.679 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.716 -8.355 -12.700 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.210 -8.061 -9.717 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.128 -9.118 -10.771 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.898 -10.219 -11.391 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.188 -9.312 -10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.767 -10.342 -8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.555 -11.203 -9.784 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.702 -11.653 -8.968 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.811 -12.829 -10.180 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.255 -14.501 -10.308 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.995 -13.785 -9.152 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.097 -15.040 -9.727 1.00 0.00 H new ATOM 129 N GLN A 8 -7.109 -5.747 -11.260 1.00 0.00 N ATOM 130 CA GLN A 8 -8.206 -4.790 -11.372 1.00 0.00 C ATOM 131 C GLN A 8 -8.239 -4.143 -12.757 1.00 0.00 C ATOM 132 O GLN A 8 -9.289 -4.084 -13.390 1.00 0.00 O ATOM 133 CB GLN A 8 -8.053 -3.707 -10.304 1.00 0.00 C ATOM 134 CG GLN A 8 -9.122 -2.631 -10.348 1.00 0.00 C ATOM 135 CD GLN A 8 -8.820 -1.480 -9.412 1.00 0.00 C ATOM 136 OE1 GLN A 8 -7.656 -1.162 -9.146 1.00 0.00 O ATOM 137 NE2 GLN A 8 -9.853 -0.852 -8.905 1.00 0.00 N ATOM 0 H GLN A 8 -6.432 -5.529 -10.529 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.143 -5.327 -11.225 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.068 -4.178 -9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.076 -3.237 -10.417 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.212 -2.254 -11.367 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.085 -3.068 -10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.799 -1.145 -9.150 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.711 -0.070 -8.266 1.00 0.00 H new ATOM 146 N THR A 9 -7.091 -3.682 -13.234 1.00 0.00 N ATOM 147 CA THR A 9 -6.994 -3.090 -14.559 1.00 0.00 C ATOM 148 C THR A 9 -7.222 -4.124 -15.659 1.00 0.00 C ATOM 149 O THR A 9 -7.578 -3.781 -16.789 1.00 0.00 O ATOM 150 CB THR A 9 -5.627 -2.418 -14.753 1.00 0.00 C ATOM 151 OG1 THR A 9 -4.578 -3.337 -14.402 1.00 0.00 O ATOM 152 CG2 THR A 9 -5.518 -1.178 -13.888 1.00 0.00 C ATOM 0 H THR A 9 -6.211 -3.707 -12.720 1.00 0.00 H new ATOM 0 HA THR A 9 -7.779 -2.337 -14.634 1.00 0.00 H new ATOM 0 HB THR A 9 -5.528 -2.130 -15.800 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.520 -3.410 -13.426 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.543 -0.714 -14.038 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.302 -0.472 -14.163 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.631 -1.455 -12.840 1.00 0.00 H new ATOM 160 N GLY A 10 -7.021 -5.387 -15.321 1.00 0.00 N ATOM 161 CA GLY A 10 -7.259 -6.442 -16.269 1.00 0.00 C ATOM 162 C GLY A 10 -8.738 -6.648 -16.439 1.00 0.00 C ATOM 163 O GLY A 10 -9.244 -6.720 -17.559 1.00 0.00 O ATOM 0 H GLY A 10 -6.697 -5.696 -14.405 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.805 -6.192 -17.228 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.791 -7.365 -15.926 1.00 0.00 H new ATOM 167 N ASP A 11 -9.430 -6.728 -15.307 1.00 0.00 N ATOM 168 CA ASP A 11 -10.882 -6.842 -15.281 1.00 0.00 C ATOM 169 C ASP A 11 -11.527 -5.684 -16.031 1.00 0.00 C ATOM 170 O ASP A 11 -12.474 -5.884 -16.795 1.00 0.00 O ATOM 171 CB ASP A 11 -11.397 -6.887 -13.835 1.00 0.00 C ATOM 172 CG ASP A 11 -11.226 -8.248 -13.191 1.00 0.00 C ATOM 173 OD1 ASP A 11 -12.010 -9.163 -13.514 1.00 0.00 O ATOM 174 OD2 ASP A 11 -10.323 -8.407 -12.351 1.00 0.00 O1- ATOM 0 H ASP A 11 -8.999 -6.716 -14.383 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.156 -7.773 -15.777 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.867 -6.141 -13.242 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.452 -6.614 -13.822 1.00 0.00 H new ATOM 179 N GLU A 12 -10.994 -4.477 -15.827 1.00 0.00 N ATOM 180 CA GLU A 12 -11.507 -3.286 -16.504 1.00 0.00 C ATOM 181 C GLU A 12 -11.364 -3.434 -18.019 1.00 0.00 C ATOM 182 O GLU A 12 -12.301 -3.152 -18.774 1.00 0.00 O ATOM 183 CB GLU A 12 -10.768 -2.016 -16.034 1.00 0.00 C ATOM 184 CG GLU A 12 -10.893 -1.735 -14.541 1.00 0.00 C ATOM 185 CD GLU A 12 -10.242 -0.422 -14.125 1.00 0.00 C ATOM 186 OE1 GLU A 12 -9.008 -0.290 -14.247 1.00 0.00 O ATOM 187 OE2 GLU A 12 -10.966 0.478 -13.651 1.00 0.00 O1- ATOM 0 H GLU A 12 -10.209 -4.300 -15.200 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.562 -3.186 -16.249 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.712 -2.109 -16.287 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.154 -1.159 -16.587 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.948 -1.713 -14.268 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.436 -2.553 -13.984 1.00 0.00 H new ATOM 194 N LEU A 13 -10.190 -3.881 -18.452 1.00 0.00 N ATOM 195 CA LEU A 13 -9.911 -4.090 -19.868 1.00 0.00 C ATOM 196 C LEU A 13 -10.845 -5.147 -20.474 1.00 0.00 C ATOM 197 O LEU A 13 -11.386 -4.951 -21.564 1.00 0.00 O ATOM 198 CB LEU A 13 -8.443 -4.496 -20.060 1.00 0.00 C ATOM 199 CG LEU A 13 -7.972 -4.670 -21.508 1.00 0.00 C ATOM 200 CD1 LEU A 13 -8.128 -3.371 -22.284 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.524 -5.137 -21.541 1.00 0.00 C ATOM 0 H LEU A 13 -9.409 -4.107 -17.836 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.093 -3.151 -20.391 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.815 -3.744 -19.584 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.275 -5.434 -19.530 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.594 -5.429 -21.982 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.788 -3.517 -23.309 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.177 -3.073 -22.288 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.531 -2.591 -21.811 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.204 -5.256 -22.576 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.892 -4.398 -21.048 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.438 -6.092 -21.022 1.00 0.00 H new ATOM 213 N VAL A 14 -11.036 -6.258 -19.766 1.00 0.00 N ATOM 214 CA VAL A 14 -11.925 -7.323 -20.238 1.00 0.00 C ATOM 215 C VAL A 14 -13.357 -6.802 -20.401 1.00 0.00 C ATOM 216 O VAL A 14 -13.994 -7.020 -21.432 1.00 0.00 O ATOM 217 CB VAL A 14 -11.921 -8.540 -19.274 1.00 0.00 C ATOM 218 CG1 VAL A 14 -12.918 -9.601 -19.727 1.00 0.00 C ATOM 219 CG2 VAL A 14 -10.525 -9.137 -19.173 1.00 0.00 C ATOM 0 H VAL A 14 -10.591 -6.446 -18.868 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.548 -7.651 -21.207 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.223 -8.188 -18.288 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.894 -10.442 -19.034 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.921 -9.174 -19.745 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.653 -9.947 -20.726 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.542 -9.989 -18.493 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.198 -9.466 -20.159 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.834 -8.384 -18.794 1.00 0.00 H new ATOM 229 N GLN A 15 -13.837 -6.099 -19.383 1.00 0.00 N ATOM 230 CA GLN A 15 -15.180 -5.508 -19.413 1.00 0.00 C ATOM 231 C GLN A 15 -15.350 -4.566 -20.611 1.00 0.00 C ATOM 232 O GLN A 15 -16.411 -4.542 -21.249 1.00 0.00 O ATOM 233 CB GLN A 15 -15.477 -4.768 -18.107 1.00 0.00 C ATOM 234 CG GLN A 15 -15.625 -5.686 -16.902 1.00 0.00 C ATOM 235 CD GLN A 15 -15.826 -4.925 -15.607 1.00 0.00 C ATOM 236 OE1 GLN A 15 -14.868 -4.596 -14.912 1.00 0.00 O ATOM 237 NE2 GLN A 15 -17.070 -4.641 -15.278 1.00 0.00 N ATOM 0 H GLN A 15 -13.319 -5.921 -18.522 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.895 -6.323 -19.522 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.675 -4.056 -17.913 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.394 -4.191 -18.227 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -16.472 -6.354 -17.061 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.737 -6.312 -16.816 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -17.837 -4.933 -15.884 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -17.266 -4.129 -14.418 1.00 0.00 H new ATOM 246 N ALA A 16 -14.305 -3.808 -20.921 1.00 0.00 N ATOM 247 CA ALA A 16 -14.327 -2.894 -22.060 1.00 0.00 C ATOM 248 C ALA A 16 -14.350 -3.664 -23.376 1.00 0.00 C ATOM 249 O ALA A 16 -14.997 -3.253 -24.338 1.00 0.00 O ATOM 250 CB ALA A 16 -13.129 -1.960 -22.016 1.00 0.00 C ATOM 0 H ALA A 16 -13.429 -3.807 -20.399 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.237 -2.298 -21.997 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.161 -1.286 -22.872 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.155 -1.378 -21.095 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.210 -2.545 -22.050 1.00 0.00 H new ATOM 256 N PHE A 17 -13.650 -4.786 -23.402 1.00 0.00 N ATOM 257 CA PHE A 17 -13.576 -5.618 -24.595 1.00 0.00 C ATOM 258 C PHE A 17 -14.938 -6.237 -24.898 1.00 0.00 C ATOM 259 O PHE A 17 -15.338 -6.349 -26.059 1.00 0.00 O ATOM 260 CB PHE A 17 -12.517 -6.709 -24.439 1.00 0.00 C ATOM 261 CG PHE A 17 -12.317 -7.530 -25.684 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.529 -7.055 -26.719 1.00 0.00 C ATOM 263 CD2 PHE A 17 -12.919 -8.771 -25.820 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.344 -7.802 -27.865 1.00 0.00 C ATOM 265 CE2 PHE A 17 -12.737 -9.521 -26.963 1.00 0.00 C ATOM 266 CZ PHE A 17 -11.949 -9.036 -27.988 1.00 0.00 C ATOM 0 H PHE A 17 -13.122 -5.144 -22.607 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.286 -4.983 -25.432 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.569 -6.248 -24.161 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.803 -7.369 -23.620 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.054 -6.089 -26.629 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.537 -9.155 -25.022 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.726 -7.421 -28.665 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.211 -10.487 -27.056 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.806 -9.621 -28.884 1.00 0.00 H new ATOM 276 N GLN A 18 -15.641 -6.641 -23.852 1.00 0.00 N ATOM 277 CA GLN A 18 -16.972 -7.217 -24.000 1.00 0.00 C ATOM 278 C GLN A 18 -17.920 -6.185 -24.610 1.00 0.00 C ATOM 279 O GLN A 18 -18.771 -6.513 -25.440 1.00 0.00 O ATOM 280 CB GLN A 18 -17.485 -7.712 -22.647 1.00 0.00 C ATOM 281 CG GLN A 18 -16.543 -8.707 -21.985 1.00 0.00 C ATOM 282 CD GLN A 18 -17.010 -9.167 -20.619 1.00 0.00 C ATOM 283 OE1 GLN A 18 -17.713 -8.449 -19.909 1.00 0.00 O ATOM 284 NE2 GLN A 18 -16.605 -10.361 -20.238 1.00 0.00 N ATOM 0 H GLN A 18 -15.313 -6.581 -22.888 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.923 -8.073 -24.673 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.628 -6.859 -21.984 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -18.461 -8.178 -22.782 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.432 -9.576 -22.633 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.557 -8.253 -21.889 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.023 -10.924 -20.858 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.874 -10.723 -19.323 1.00 0.00 H new ATOM 293 N ARG A 19 -17.743 -4.931 -24.209 1.00 0.00 N ATOM 294 CA ARG A 19 -18.515 -3.835 -24.776 1.00 0.00 C ATOM 295 C ARG A 19 -18.108 -3.610 -26.228 1.00 0.00 C ATOM 296 O ARG A 19 -18.946 -3.313 -27.076 1.00 0.00 O ATOM 297 CB ARG A 19 -18.345 -2.542 -23.957 1.00 0.00 C ATOM 298 CG ARG A 19 -18.841 -1.286 -24.676 1.00 0.00 C ATOM 299 CD ARG A 19 -18.933 -0.085 -23.743 1.00 0.00 C ATOM 300 NE ARG A 19 -17.755 0.052 -22.890 1.00 0.00 N ATOM 301 CZ ARG A 19 -17.110 1.197 -22.659 1.00 0.00 C ATOM 302 NH1 ARG A 19 -17.493 2.326 -23.260 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -16.087 1.215 -21.817 1.00 0.00 N ATOM 0 H ARG A 19 -17.072 -4.650 -23.494 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.570 -4.107 -24.740 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -18.883 -2.646 -23.015 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -17.291 -2.415 -23.710 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -18.168 -1.052 -25.501 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -19.821 -1.482 -25.111 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -19.057 0.822 -24.335 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -19.821 -0.182 -23.118 1.00 0.00 H new ATOM 0 HE ARG A 19 -17.399 -0.790 -22.437 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -18.285 2.318 -23.902 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -16.993 3.196 -23.077 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.796 0.356 -21.349 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.590 2.087 -21.637 1.00 0.00 H new ATOM 317 N LEU A 20 -16.818 -3.800 -26.508 1.00 0.00 N ATOM 318 CA LEU A 20 -16.277 -3.622 -27.853 1.00 0.00 C ATOM 319 C LEU A 20 -16.948 -4.585 -28.820 1.00 0.00 C ATOM 320 O LEU A 20 -17.254 -4.230 -29.956 1.00 0.00 O ATOM 321 CB LEU A 20 -14.763 -3.866 -27.854 1.00 0.00 C ATOM 322 CG LEU A 20 -14.061 -3.712 -29.205 1.00 0.00 C ATOM 323 CD1 LEU A 20 -14.030 -2.256 -29.629 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.654 -4.288 -29.150 1.00 0.00 C ATOM 0 H LEU A 20 -16.125 -4.079 -25.814 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.474 -2.598 -28.171 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.303 -3.176 -27.147 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.577 -4.874 -27.483 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.627 -4.272 -29.949 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.527 -2.168 -30.592 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.050 -1.881 -29.717 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.491 -1.671 -28.883 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.173 -4.168 -30.121 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.075 -3.762 -28.391 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.704 -5.347 -28.899 1.00 0.00 H new ATOM 336 N ARG A 21 -17.184 -5.805 -28.353 1.00 0.00 N ATOM 337 CA ARG A 21 -17.844 -6.807 -29.166 1.00 0.00 C ATOM 338 C ARG A 21 -19.259 -6.391 -29.483 1.00 0.00 C ATOM 339 O ARG A 21 -19.684 -6.445 -30.633 1.00 0.00 O ATOM 340 CB ARG A 21 -17.854 -8.169 -28.472 1.00 0.00 C ATOM 341 CG ARG A 21 -16.599 -8.991 -28.692 1.00 0.00 C ATOM 342 CD ARG A 21 -16.320 -9.192 -30.180 1.00 0.00 C ATOM 343 NE ARG A 21 -17.536 -9.538 -30.942 1.00 0.00 N ATOM 344 CZ ARG A 21 -17.744 -10.707 -31.544 1.00 0.00 C ATOM 345 NH1 ARG A 21 -16.907 -11.726 -31.357 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -18.825 -10.872 -32.291 1.00 0.00 N ATOM 0 H ARG A 21 -16.927 -6.119 -27.417 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.280 -6.895 -30.094 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -17.992 -8.017 -27.401 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.714 -8.738 -28.826 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.749 -8.493 -28.225 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.707 -9.961 -28.206 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.885 -8.281 -30.591 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.580 -9.983 -30.304 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.268 -8.832 -31.012 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.097 -11.615 -30.747 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.076 -12.617 -31.823 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.490 -10.107 -32.401 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.992 -11.764 -32.756 1.00 0.00 H new ATOM 360 N GLU A 22 -19.972 -5.939 -28.467 1.00 0.00 N ATOM 361 CA GLU A 22 -21.336 -5.533 -28.634 1.00 0.00 C ATOM 362 C GLU A 22 -21.415 -4.373 -29.620 1.00 0.00 C ATOM 363 O GLU A 22 -22.192 -4.409 -30.565 1.00 0.00 O ATOM 364 CB GLU A 22 -21.925 -5.133 -27.289 1.00 0.00 C ATOM 365 CG GLU A 22 -23.422 -5.009 -27.310 1.00 0.00 C ATOM 366 CD GLU A 22 -23.980 -4.475 -26.017 1.00 0.00 C ATOM 367 OE1 GLU A 22 -23.954 -5.206 -25.005 1.00 0.00 O ATOM 368 OE2 GLU A 22 -24.458 -3.321 -26.008 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.617 -5.847 -27.515 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.914 -6.367 -29.032 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.639 -5.872 -26.541 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -21.493 -4.182 -26.979 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -23.716 -4.351 -28.127 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -23.860 -5.986 -27.514 1.00 0.00 H new ATOM 375 N ILE A 23 -20.596 -3.353 -29.400 1.00 0.00 N ATOM 376 CA ILE A 23 -20.518 -2.201 -30.299 1.00 0.00 C ATOM 377 C ILE A 23 -20.232 -2.620 -31.747 1.00 0.00 C ATOM 378 O ILE A 23 -20.789 -2.044 -32.688 1.00 0.00 O ATOM 379 CB ILE A 23 -19.407 -1.225 -29.844 1.00 0.00 C ATOM 380 CG1 ILE A 23 -19.664 -0.716 -28.419 1.00 0.00 C ATOM 381 CG2 ILE A 23 -19.281 -0.066 -30.810 1.00 0.00 C ATOM 382 CD1 ILE A 23 -20.996 -0.031 -28.232 1.00 0.00 C ATOM 0 H ILE A 23 -19.968 -3.297 -28.598 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.490 -1.710 -30.259 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.465 -1.773 -29.840 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.602 -1.558 -27.729 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -18.870 -0.021 -28.146 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.494 0.607 -30.470 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -19.032 -0.444 -31.801 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -20.226 0.475 -30.855 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -21.095 0.297 -27.197 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -21.057 0.833 -28.894 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -21.800 -0.727 -28.470 1.00 0.00 H new ATOM 394 N PHE A 24 -19.401 -3.635 -31.920 1.00 0.00 N ATOM 395 CA PHE A 24 -19.028 -4.072 -33.258 1.00 0.00 C ATOM 396 C PHE A 24 -20.216 -4.735 -33.937 1.00 0.00 C ATOM 397 O PHE A 24 -20.542 -4.436 -35.094 1.00 0.00 O ATOM 398 CB PHE A 24 -17.836 -5.031 -33.223 1.00 0.00 C ATOM 399 CG PHE A 24 -17.348 -5.417 -34.595 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.457 -4.604 -35.281 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.781 -6.589 -35.202 1.00 0.00 C ATOM 402 CE1 PHE A 24 -16.009 -4.950 -36.542 1.00 0.00 C ATOM 403 CE2 PHE A 24 -17.335 -6.940 -36.463 1.00 0.00 C ATOM 404 CZ PHE A 24 -16.448 -6.119 -37.134 1.00 0.00 C ATOM 0 H PHE A 24 -18.975 -4.167 -31.161 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.730 -3.193 -33.829 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.019 -4.566 -32.671 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.118 -5.932 -32.677 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -16.109 -3.689 -34.824 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.474 -7.234 -34.683 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -15.316 -4.307 -37.064 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.679 -7.854 -36.923 1.00 0.00 H new ATOM 0 HZ PHE A 24 -16.099 -6.391 -38.119 1.00 0.00 H new ATOM 414 N ASP A 25 -20.871 -5.623 -33.199 1.00 0.00 N ATOM 415 CA ASP A 25 -22.026 -6.357 -33.702 1.00 0.00 C ATOM 416 C ASP A 25 -23.227 -5.431 -33.909 1.00 0.00 C ATOM 417 O ASP A 25 -24.135 -5.742 -34.681 1.00 0.00 O ATOM 418 CB ASP A 25 -22.391 -7.516 -32.756 1.00 0.00 C ATOM 419 CG ASP A 25 -21.400 -8.677 -32.818 1.00 0.00 C ATOM 420 OD1 ASP A 25 -20.457 -8.724 -31.992 1.00 0.00 O ATOM 421 OD2 ASP A 25 -21.563 -9.556 -33.686 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.618 -5.854 -32.238 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.756 -6.776 -34.672 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.438 -7.141 -31.734 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.386 -7.882 -33.007 1.00 0.00 H new ATOM 426 N LYS A 26 -23.227 -4.290 -33.219 1.00 0.00 N ATOM 427 CA LYS A 26 -24.298 -3.304 -33.366 1.00 0.00 C ATOM 428 C LYS A 26 -23.934 -2.260 -34.416 1.00 0.00 C ATOM 429 O LYS A 26 -24.749 -1.414 -34.770 1.00 0.00 O ATOM 430 CB LYS A 26 -24.600 -2.616 -32.033 1.00 0.00 C ATOM 431 CG LYS A 26 -25.086 -3.561 -30.944 1.00 0.00 C ATOM 432 CD LYS A 26 -25.445 -2.813 -29.668 1.00 0.00 C ATOM 433 CE LYS A 26 -24.280 -1.975 -29.155 1.00 0.00 C ATOM 434 NZ LYS A 26 -24.589 -1.343 -27.851 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.499 -4.026 -32.555 1.00 0.00 H new ATOM 0 HA LYS A 26 -25.191 -3.836 -33.693 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.699 -2.110 -31.685 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.355 -1.847 -32.196 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -25.957 -4.110 -31.301 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.311 -4.297 -30.729 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -26.303 -2.167 -29.855 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -25.745 -3.527 -28.901 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -23.396 -2.605 -29.053 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -24.039 -1.203 -29.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -23.760 -0.809 -27.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -25.396 -0.696 -27.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -24.828 -2.079 -27.156 1.00 0.00 H new ATOM 448 N GLY A 27 -22.699 -2.333 -34.903 1.00 0.00 N ATOM 449 CA GLY A 27 -22.220 -1.418 -35.930 1.00 0.00 C ATOM 450 C GLY A 27 -22.275 0.052 -35.540 1.00 0.00 C ATOM 451 O GLY A 27 -22.375 0.918 -36.410 1.00 0.00 O ATOM 0 H GLY A 27 -22.010 -3.021 -34.600 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.191 -1.677 -36.178 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.812 -1.564 -36.834 1.00 0.00 H new ATOM 455 N ASP A 28 -22.201 0.341 -34.252 1.00 0.00 N ATOM 456 CA ASP A 28 -22.252 1.724 -33.797 1.00 0.00 C ATOM 457 C ASP A 28 -20.852 2.327 -33.802 1.00 0.00 C ATOM 458 O ASP A 28 -20.171 2.374 -32.777 1.00 0.00 O ATOM 459 CB ASP A 28 -22.889 1.823 -32.413 1.00 0.00 C ATOM 460 CG ASP A 28 -23.287 3.247 -32.063 1.00 0.00 C ATOM 461 OD1 ASP A 28 -22.445 4.159 -32.179 1.00 0.00 O ATOM 462 OD2 ASP A 28 -24.456 3.458 -31.677 1.00 0.00 O1- ATOM 0 H ASP A 28 -22.107 -0.352 -33.509 1.00 0.00 H new ATOM 0 HA ASP A 28 -22.877 2.293 -34.485 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -23.770 1.182 -32.374 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -22.189 1.449 -31.666 1.00 0.00 H new ATOM 467 N ASP A 29 -20.415 2.748 -34.983 1.00 0.00 N ATOM 468 CA ASP A 29 -19.082 3.336 -35.181 1.00 0.00 C ATOM 469 C ASP A 29 -18.855 4.557 -34.299 1.00 0.00 C ATOM 470 O ASP A 29 -17.727 4.826 -33.877 1.00 0.00 O ATOM 471 CB ASP A 29 -18.873 3.719 -36.647 1.00 0.00 C ATOM 472 CG ASP A 29 -18.823 2.523 -37.569 1.00 0.00 C ATOM 473 OD1 ASP A 29 -19.858 2.202 -38.196 1.00 0.00 O ATOM 474 OD2 ASP A 29 -17.753 1.904 -37.682 1.00 0.00 O1- ATOM 0 H ASP A 29 -20.971 2.694 -35.836 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.357 2.574 -34.895 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.680 4.380 -36.962 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.944 4.282 -36.741 1.00 0.00 H new ATOM 479 N ASP A 30 -19.923 5.282 -34.010 1.00 0.00 N ATOM 480 CA ASP A 30 -19.833 6.481 -33.180 1.00 0.00 C ATOM 481 C ASP A 30 -19.381 6.102 -31.782 1.00 0.00 C ATOM 482 O ASP A 30 -18.459 6.701 -31.218 1.00 0.00 O ATOM 483 CB ASP A 30 -21.192 7.179 -33.096 1.00 0.00 C ATOM 484 CG ASP A 30 -21.695 7.666 -34.436 1.00 0.00 C ATOM 485 OD1 ASP A 30 -21.390 8.805 -34.813 1.00 0.00 O ATOM 486 OD2 ASP A 30 -22.417 6.898 -35.118 1.00 0.00 O1- ATOM 0 H ASP A 30 -20.865 5.064 -34.336 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.111 7.161 -33.632 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.921 6.490 -32.670 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.117 8.026 -32.414 1.00 0.00 H new ATOM 491 N SER A 31 -20.030 5.091 -31.240 1.00 0.00 N ATOM 492 CA SER A 31 -19.734 4.590 -29.919 1.00 0.00 C ATOM 493 C SER A 31 -18.391 3.841 -29.903 1.00 0.00 C ATOM 494 O SER A 31 -17.673 3.854 -28.903 1.00 0.00 O ATOM 495 CB SER A 31 -20.873 3.679 -29.452 1.00 0.00 C ATOM 496 OG SER A 31 -20.931 2.494 -30.210 1.00 0.00 O ATOM 0 H SER A 31 -20.784 4.592 -31.711 1.00 0.00 H new ATOM 0 HA SER A 31 -19.648 5.432 -29.232 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.734 3.432 -28.399 1.00 0.00 H new ATOM 0 HB3 SER A 31 -21.821 4.210 -29.533 1.00 0.00 H new ATOM 0 HG SER A 31 -20.493 2.637 -31.075 1.00 0.00 H new ATOM 502 N LEU A 32 -18.053 3.218 -31.035 1.00 0.00 N ATOM 503 CA LEU A 32 -16.825 2.429 -31.170 1.00 0.00 C ATOM 504 C LEU A 32 -15.592 3.279 -30.912 1.00 0.00 C ATOM 505 O LEU A 32 -14.657 2.833 -30.247 1.00 0.00 O ATOM 506 CB LEU A 32 -16.754 1.831 -32.583 1.00 0.00 C ATOM 507 CG LEU A 32 -15.542 0.948 -32.888 1.00 0.00 C ATOM 508 CD1 LEU A 32 -15.593 -0.331 -32.075 1.00 0.00 C ATOM 509 CD2 LEU A 32 -15.474 0.636 -34.375 1.00 0.00 C ATOM 0 H LEU A 32 -18.621 3.246 -31.882 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.847 1.631 -30.428 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.656 1.243 -32.751 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.769 2.650 -33.302 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.640 1.493 -32.608 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.722 -0.944 -32.307 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.593 -0.087 -31.013 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.501 -0.882 -32.320 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.607 0.007 -34.576 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.380 0.112 -34.679 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.387 1.565 -34.938 1.00 0.00 H new ATOM 521 N GLU A 33 -15.601 4.502 -31.419 1.00 0.00 N ATOM 522 CA GLU A 33 -14.486 5.417 -31.214 1.00 0.00 C ATOM 523 C GLU A 33 -14.248 5.646 -29.726 1.00 0.00 C ATOM 524 O GLU A 33 -13.113 5.587 -29.250 1.00 0.00 O ATOM 525 CB GLU A 33 -14.762 6.754 -31.894 1.00 0.00 C ATOM 526 CG GLU A 33 -13.742 7.826 -31.552 1.00 0.00 C ATOM 527 CD GLU A 33 -14.096 9.169 -32.124 1.00 0.00 C ATOM 528 OE1 GLU A 33 -13.532 9.537 -33.176 1.00 0.00 O ATOM 529 OE2 GLU A 33 -14.937 9.872 -31.518 1.00 0.00 O1- ATOM 0 H GLU A 33 -16.366 4.885 -31.975 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.595 4.968 -31.653 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.776 6.608 -32.974 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.754 7.102 -31.606 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.658 7.908 -30.468 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.764 7.523 -31.926 1.00 0.00 H new ATOM 536 N GLN A 34 -15.332 5.859 -28.998 1.00 0.00 N ATOM 537 CA GLN A 34 -15.263 6.150 -27.577 1.00 0.00 C ATOM 538 C GLN A 34 -14.694 4.968 -26.812 1.00 0.00 C ATOM 539 O GLN A 34 -13.899 5.134 -25.886 1.00 0.00 O ATOM 540 CB GLN A 34 -16.653 6.497 -27.049 1.00 0.00 C ATOM 541 CG GLN A 34 -17.302 7.662 -27.772 1.00 0.00 C ATOM 542 CD GLN A 34 -18.692 7.967 -27.265 1.00 0.00 C ATOM 543 OE1 GLN A 34 -19.408 7.080 -26.805 1.00 0.00 O ATOM 544 NE2 GLN A 34 -19.083 9.221 -27.349 1.00 0.00 N ATOM 0 H GLN A 34 -16.280 5.835 -29.374 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.601 7.003 -27.431 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -17.296 5.621 -27.138 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -16.581 6.733 -25.987 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.677 8.548 -27.658 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -17.350 7.440 -28.838 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -18.456 9.926 -27.738 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -20.013 9.488 -27.025 1.00 0.00 H new ATOM 553 N VAL A 35 -15.086 3.772 -27.221 1.00 0.00 N ATOM 554 CA VAL A 35 -14.629 2.555 -26.580 1.00 0.00 C ATOM 555 C VAL A 35 -13.151 2.307 -26.880 1.00 0.00 C ATOM 556 O VAL A 35 -12.402 1.880 -26.006 1.00 0.00 O ATOM 557 CB VAL A 35 -15.478 1.338 -27.035 1.00 0.00 C ATOM 558 CG1 VAL A 35 -14.981 0.049 -26.402 1.00 0.00 C ATOM 559 CG2 VAL A 35 -16.942 1.560 -26.696 1.00 0.00 C ATOM 0 H VAL A 35 -15.725 3.620 -28.001 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.750 2.678 -25.504 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.374 1.243 -28.116 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.597 -0.784 -26.741 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.945 -0.124 -26.693 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.044 0.129 -25.317 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.525 0.698 -27.021 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.051 1.687 -25.619 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.302 2.454 -27.205 1.00 0.00 H new ATOM 569 N LEU A 36 -12.728 2.605 -28.107 1.00 0.00 N ATOM 570 CA LEU A 36 -11.329 2.422 -28.500 1.00 0.00 C ATOM 571 C LEU A 36 -10.409 3.289 -27.652 1.00 0.00 C ATOM 572 O LEU A 36 -9.308 2.868 -27.282 1.00 0.00 O ATOM 573 CB LEU A 36 -11.131 2.750 -29.984 1.00 0.00 C ATOM 574 CG LEU A 36 -11.851 1.834 -30.977 1.00 0.00 C ATOM 575 CD1 LEU A 36 -11.619 2.309 -32.402 1.00 0.00 C ATOM 576 CD2 LEU A 36 -11.387 0.393 -30.814 1.00 0.00 C ATOM 0 H LEU A 36 -13.329 2.973 -28.844 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.074 1.375 -28.335 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.464 3.773 -30.157 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.063 2.721 -30.202 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.920 1.875 -30.767 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.138 1.647 -33.095 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.002 3.323 -32.514 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.551 2.298 -32.620 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.911 -0.241 -31.529 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.314 0.334 -30.995 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.604 0.053 -29.801 1.00 0.00 H new ATOM 588 N GLU A 37 -10.870 4.490 -27.331 1.00 0.00 N ATOM 589 CA GLU A 37 -10.104 5.407 -26.504 1.00 0.00 C ATOM 590 C GLU A 37 -9.987 4.854 -25.091 1.00 0.00 C ATOM 591 O GLU A 37 -8.931 4.926 -24.463 1.00 0.00 O ATOM 592 CB GLU A 37 -10.774 6.780 -26.477 1.00 0.00 C ATOM 593 CG GLU A 37 -10.936 7.408 -27.852 1.00 0.00 C ATOM 594 CD GLU A 37 -11.699 8.713 -27.807 1.00 0.00 C ATOM 595 OE1 GLU A 37 -12.941 8.677 -27.827 1.00 0.00 O ATOM 596 OE2 GLU A 37 -11.055 9.783 -27.743 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.775 4.851 -27.633 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.105 5.515 -26.928 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.755 6.686 -26.012 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.186 7.449 -25.849 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.952 7.581 -28.287 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.456 6.710 -28.508 1.00 0.00 H new ATOM 603 N GLU A 38 -11.080 4.279 -24.612 1.00 0.00 N ATOM 604 CA GLU A 38 -11.133 3.691 -23.287 1.00 0.00 C ATOM 605 C GLU A 38 -10.247 2.449 -23.198 1.00 0.00 C ATOM 606 O GLU A 38 -9.529 2.259 -22.220 1.00 0.00 O ATOM 607 CB GLU A 38 -12.577 3.340 -22.929 1.00 0.00 C ATOM 608 CG GLU A 38 -13.458 4.552 -22.683 1.00 0.00 C ATOM 609 CD GLU A 38 -14.858 4.172 -22.271 1.00 0.00 C ATOM 610 OE1 GLU A 38 -15.018 3.566 -21.193 1.00 0.00 O ATOM 611 OE2 GLU A 38 -15.808 4.478 -23.014 1.00 0.00 O1- ATOM 0 H GLU A 38 -11.954 4.208 -25.133 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.756 4.423 -22.573 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.008 2.747 -23.736 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.579 2.714 -22.037 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.010 5.172 -21.907 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.500 5.157 -23.589 1.00 0.00 H new ATOM 618 N ILE A 39 -10.292 1.624 -24.231 1.00 0.00 N ATOM 619 CA ILE A 39 -9.495 0.403 -24.261 1.00 0.00 C ATOM 620 C ILE A 39 -8.006 0.731 -24.252 1.00 0.00 C ATOM 621 O ILE A 39 -7.250 0.182 -23.455 1.00 0.00 O ATOM 622 CB ILE A 39 -9.828 -0.482 -25.487 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.284 -0.946 -25.422 1.00 0.00 C ATOM 624 CG2 ILE A 39 -8.889 -1.684 -25.554 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.707 -1.787 -26.603 1.00 0.00 C ATOM 0 H ILE A 39 -10.869 1.774 -25.059 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.747 -0.161 -23.363 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.689 0.111 -26.391 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.433 -1.520 -24.507 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.932 -0.072 -25.359 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.139 -2.293 -26.422 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.859 -1.337 -25.639 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.997 -2.281 -24.648 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.751 -2.079 -26.487 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.591 -1.210 -27.521 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.084 -2.680 -26.655 1.00 0.00 H new ATOM 637 N GLU A 40 -7.598 1.651 -25.124 1.00 0.00 N ATOM 638 CA GLU A 40 -6.204 2.084 -25.203 1.00 0.00 C ATOM 639 C GLU A 40 -5.738 2.633 -23.851 1.00 0.00 C ATOM 640 O GLU A 40 -4.614 2.364 -23.415 1.00 0.00 O ATOM 641 CB GLU A 40 -6.067 3.149 -26.309 1.00 0.00 C ATOM 642 CG GLU A 40 -4.637 3.425 -26.785 1.00 0.00 C ATOM 643 CD GLU A 40 -3.814 4.246 -25.808 1.00 0.00 C ATOM 644 OE1 GLU A 40 -4.372 5.165 -25.180 1.00 0.00 O ATOM 645 OE2 GLU A 40 -2.599 3.989 -25.685 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.217 2.113 -25.790 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.570 1.233 -25.451 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.663 2.836 -27.166 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.497 4.082 -25.946 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.133 2.475 -26.961 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.677 3.947 -27.741 1.00 0.00 H new ATOM 652 N GLU A 41 -6.624 3.347 -23.170 1.00 0.00 N ATOM 653 CA GLU A 41 -6.317 3.937 -21.896 1.00 0.00 C ATOM 654 C GLU A 41 -6.121 2.853 -20.835 1.00 0.00 C ATOM 655 O GLU A 41 -5.215 2.939 -19.995 1.00 0.00 O ATOM 656 CB GLU A 41 -7.449 4.874 -21.495 1.00 0.00 C ATOM 657 CG GLU A 41 -7.270 5.503 -20.144 1.00 0.00 C ATOM 658 CD GLU A 41 -8.377 6.468 -19.812 1.00 0.00 C ATOM 659 OE1 GLU A 41 -8.191 7.685 -20.021 1.00 0.00 O ATOM 660 OE2 GLU A 41 -9.449 6.018 -19.357 1.00 0.00 O1- ATOM 0 H GLU A 41 -7.574 3.527 -23.495 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.388 4.502 -21.975 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.537 5.662 -22.243 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.387 4.319 -21.505 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.232 4.722 -19.384 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.314 6.026 -20.113 1.00 0.00 H new ATOM 667 N LEU A 42 -6.966 1.833 -20.889 1.00 0.00 N ATOM 668 CA LEU A 42 -6.907 0.726 -19.952 1.00 0.00 C ATOM 669 C LEU A 42 -5.660 -0.114 -20.178 1.00 0.00 C ATOM 670 O LEU A 42 -5.067 -0.617 -19.227 1.00 0.00 O ATOM 671 CB LEU A 42 -8.163 -0.136 -20.050 1.00 0.00 C ATOM 672 CG LEU A 42 -9.472 0.565 -19.679 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.652 -0.356 -19.906 1.00 0.00 C ATOM 674 CD2 LEU A 42 -9.437 1.042 -18.233 1.00 0.00 C ATOM 0 H LEU A 42 -7.709 1.752 -21.583 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.856 1.142 -18.946 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.248 -0.510 -21.070 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.039 -1.004 -19.402 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.586 1.436 -20.324 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.573 0.160 -19.637 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.691 -0.645 -20.956 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.542 -1.248 -19.289 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.377 1.537 -17.990 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.296 0.187 -17.571 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.613 1.743 -18.101 1.00 0.00 H new ATOM 686 N ILE A 43 -5.261 -0.256 -21.441 1.00 0.00 N ATOM 687 CA ILE A 43 -4.063 -1.017 -21.776 1.00 0.00 C ATOM 688 C ILE A 43 -2.851 -0.376 -21.117 1.00 0.00 C ATOM 689 O ILE A 43 -2.026 -1.059 -20.502 1.00 0.00 O ATOM 690 CB ILE A 43 -3.828 -1.080 -23.311 1.00 0.00 C ATOM 691 CG1 ILE A 43 -4.990 -1.794 -24.006 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.507 -1.780 -23.628 1.00 0.00 C ATOM 693 CD1 ILE A 43 -4.883 -1.803 -25.519 1.00 0.00 C ATOM 0 H ILE A 43 -5.748 0.144 -22.243 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.205 -2.034 -21.410 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.775 -0.059 -23.688 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.039 -2.822 -23.648 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.925 -1.312 -23.720 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.363 -1.813 -24.708 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.685 -1.231 -23.169 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.530 -2.796 -23.234 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.741 -2.326 -25.941 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.865 -0.778 -25.889 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.966 -2.312 -25.816 1.00 0.00 H new ATOM 705 N GLN A 44 -2.767 0.943 -21.224 1.00 0.00 N ATOM 706 CA GLN A 44 -1.673 1.688 -20.627 1.00 0.00 C ATOM 707 C GLN A 44 -1.734 1.590 -19.116 1.00 0.00 C ATOM 708 O GLN A 44 -0.736 1.319 -18.469 1.00 0.00 O ATOM 709 CB GLN A 44 -1.734 3.158 -21.039 1.00 0.00 C ATOM 710 CG GLN A 44 -1.736 3.383 -22.538 1.00 0.00 C ATOM 711 CD GLN A 44 -0.541 2.764 -23.233 1.00 0.00 C ATOM 712 OE1 GLN A 44 0.538 2.631 -22.652 1.00 0.00 O ATOM 713 NE2 GLN A 44 -0.715 2.415 -24.490 1.00 0.00 N ATOM 0 H GLN A 44 -3.447 1.518 -21.721 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.737 1.256 -20.982 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.632 3.606 -20.614 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.882 3.681 -20.605 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.650 2.967 -22.961 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.751 4.454 -22.739 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.625 2.542 -24.933 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.060 2.018 -25.021 1.00 0.00 H new ATOM 722 N LYS A 45 -2.929 1.757 -18.572 1.00 0.00 N ATOM 723 CA LYS A 45 -3.145 1.742 -17.128 1.00 0.00 C ATOM 724 C LYS A 45 -2.757 0.388 -16.539 1.00 0.00 C ATOM 725 O LYS A 45 -2.202 0.307 -15.446 1.00 0.00 O ATOM 726 CB LYS A 45 -4.622 2.035 -16.841 1.00 0.00 C ATOM 727 CG LYS A 45 -4.987 2.107 -15.370 1.00 0.00 C ATOM 728 CD LYS A 45 -6.494 2.202 -15.196 1.00 0.00 C ATOM 729 CE LYS A 45 -6.891 2.263 -13.731 1.00 0.00 C ATOM 730 NZ LYS A 45 -8.367 2.248 -13.563 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.779 1.907 -19.116 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.520 2.505 -16.665 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.888 2.981 -17.313 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.229 1.262 -17.313 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.611 1.224 -14.853 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.508 2.973 -14.913 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.864 3.089 -15.710 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.969 1.341 -15.666 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.455 1.417 -13.200 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.482 3.167 -13.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.629 2.830 -12.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.818 2.632 -14.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.689 1.271 -13.411 1.00 0.00 H new ATOM 744 N HIS A 46 -3.038 -0.660 -17.282 1.00 0.00 N ATOM 745 CA HIS A 46 -2.744 -2.014 -16.858 1.00 0.00 C ATOM 746 C HIS A 46 -1.252 -2.321 -17.013 1.00 0.00 C ATOM 747 O HIS A 46 -0.633 -2.891 -16.117 1.00 0.00 O ATOM 748 CB HIS A 46 -3.605 -2.985 -17.685 1.00 0.00 C ATOM 749 CG HIS A 46 -3.359 -4.452 -17.466 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.539 -5.097 -16.259 1.00 0.00 N ATOM 751 CD2 HIS A 46 -3.010 -5.405 -18.346 1.00 0.00 C ATOM 752 CE1 HIS A 46 -3.307 -6.391 -16.419 1.00 0.00 C ATOM 753 NE2 HIS A 46 -2.984 -6.603 -17.683 1.00 0.00 N ATOM 0 H HIS A 46 -3.478 -0.598 -18.200 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.985 -2.131 -15.801 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.654 -2.779 -17.470 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.447 -2.766 -18.741 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.808 -4.648 -15.383 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.789 -5.253 -19.392 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.371 -7.145 -15.648 1.00 0.00 H new ATOM 761 N ARG A 47 -0.678 -1.932 -18.148 1.00 0.00 N ATOM 762 CA ARG A 47 0.735 -2.196 -18.404 1.00 0.00 C ATOM 763 C ARG A 47 1.671 -1.337 -17.549 1.00 0.00 C ATOM 764 O ARG A 47 2.751 -1.786 -17.186 1.00 0.00 O ATOM 765 CB ARG A 47 1.090 -2.046 -19.879 1.00 0.00 C ATOM 766 CG ARG A 47 2.525 -2.443 -20.155 1.00 0.00 C ATOM 767 CD ARG A 47 2.880 -2.389 -21.617 1.00 0.00 C ATOM 768 NE ARG A 47 4.275 -2.769 -21.816 1.00 0.00 N ATOM 769 CZ ARG A 47 4.700 -3.638 -22.730 1.00 0.00 C ATOM 770 NH1 ARG A 47 3.839 -4.208 -23.564 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 5.988 -3.941 -22.802 1.00 0.00 N ATOM 0 H ARG A 47 -1.163 -1.438 -18.898 1.00 0.00 H new ATOM 0 HA ARG A 47 0.888 -3.236 -18.115 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.420 -2.663 -20.479 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.933 -1.012 -20.187 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.192 -1.783 -19.600 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.695 -3.453 -19.783 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.230 -3.058 -22.181 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.712 -1.383 -22.002 1.00 0.00 H new ATOM 0 HE ARG A 47 4.974 -2.338 -21.211 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.846 -3.981 -23.506 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.170 -4.873 -24.263 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.650 -3.509 -22.158 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.317 -4.607 -23.501 1.00 0.00 H new ATOM 785 N GLN A 48 1.255 -0.117 -17.210 1.00 0.00 N ATOM 786 CA GLN A 48 2.100 0.777 -16.399 1.00 0.00 C ATOM 787 C GLN A 48 2.440 0.128 -15.075 1.00 0.00 C ATOM 788 O GLN A 48 3.509 0.349 -14.513 1.00 0.00 O ATOM 789 CB GLN A 48 1.405 2.116 -16.146 1.00 0.00 C ATOM 790 CG GLN A 48 1.375 3.044 -17.347 1.00 0.00 C ATOM 791 CD GLN A 48 0.557 4.290 -17.085 1.00 0.00 C ATOM 792 OE1 GLN A 48 -0.392 4.269 -16.306 1.00 0.00 O ATOM 793 NE2 GLN A 48 0.915 5.378 -17.730 1.00 0.00 N ATOM 0 H GLN A 48 0.352 0.276 -17.477 1.00 0.00 H new ATOM 0 HA GLN A 48 3.017 0.960 -16.959 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.381 1.925 -15.824 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.909 2.623 -15.323 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.394 3.329 -17.610 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.961 2.513 -18.204 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.710 5.354 -18.369 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.398 6.246 -17.592 1.00 0.00 H new ATOM 802 N LEU A 49 1.532 -0.682 -14.592 1.00 0.00 N ATOM 803 CA LEU A 49 1.715 -1.381 -13.347 1.00 0.00 C ATOM 804 C LEU A 49 2.726 -2.509 -13.527 1.00 0.00 C ATOM 805 O LEU A 49 3.532 -2.781 -12.648 1.00 0.00 O ATOM 806 CB LEU A 49 0.376 -1.942 -12.901 1.00 0.00 C ATOM 807 CG LEU A 49 -0.701 -0.898 -12.626 1.00 0.00 C ATOM 808 CD1 LEU A 49 -2.062 -1.551 -12.562 1.00 0.00 C ATOM 809 CD2 LEU A 49 -0.404 -0.149 -11.338 1.00 0.00 C ATOM 0 H LEU A 49 0.643 -0.875 -15.053 1.00 0.00 H new ATOM 0 HA LEU A 49 2.095 -0.696 -12.589 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.011 -2.625 -13.668 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.529 -2.531 -11.997 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.702 -0.178 -13.445 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.820 -0.793 -12.365 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.276 -2.040 -13.512 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.073 -2.292 -11.762 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.184 0.591 -11.160 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.375 -0.853 -10.506 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.560 0.353 -11.423 1.00 0.00 H new ATOM 821 N PHE A 50 2.688 -3.137 -14.694 1.00 0.00 N ATOM 822 CA PHE A 50 3.580 -4.243 -15.009 1.00 0.00 C ATOM 823 C PHE A 50 4.986 -3.749 -15.349 1.00 0.00 C ATOM 824 O PHE A 50 5.973 -4.397 -15.010 1.00 0.00 O ATOM 825 CB PHE A 50 3.011 -5.075 -16.170 1.00 0.00 C ATOM 826 CG PHE A 50 3.927 -6.175 -16.640 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.199 -7.265 -15.828 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.514 -6.117 -17.895 1.00 0.00 C ATOM 829 CE1 PHE A 50 5.040 -8.274 -16.257 1.00 0.00 C ATOM 830 CE2 PHE A 50 5.355 -7.124 -18.329 1.00 0.00 C ATOM 831 CZ PHE A 50 5.618 -8.203 -17.509 1.00 0.00 C ATOM 0 H PHE A 50 2.042 -2.896 -15.445 1.00 0.00 H new ATOM 0 HA PHE A 50 3.654 -4.874 -14.123 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.063 -5.513 -15.859 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.796 -4.412 -17.008 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.748 -7.326 -14.848 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.312 -5.275 -18.541 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.245 -9.117 -15.614 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.806 -7.067 -19.309 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.275 -8.991 -17.846 1.00 0.00 H new ATOM 841 N ASP A 51 5.071 -2.587 -15.987 1.00 0.00 N ATOM 842 CA ASP A 51 6.367 -2.033 -16.392 1.00 0.00 C ATOM 843 C ASP A 51 7.154 -1.577 -15.175 1.00 0.00 C ATOM 844 O ASP A 51 8.379 -1.696 -15.126 1.00 0.00 O ATOM 845 CB ASP A 51 6.205 -0.857 -17.371 1.00 0.00 C ATOM 846 CG ASP A 51 5.752 -1.271 -18.766 1.00 0.00 C ATOM 847 OD1 ASP A 51 4.850 -0.607 -19.321 1.00 0.00 O ATOM 848 OD2 ASP A 51 6.303 -2.244 -19.321 1.00 0.00 O1- ATOM 0 H ASP A 51 4.267 -2.011 -16.236 1.00 0.00 H new ATOM 0 HA ASP A 51 6.912 -2.827 -16.902 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.483 -0.152 -16.960 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.156 -0.330 -17.450 1.00 0.00 H new ATOM 969 N GLU A 60 5.357 -16.197 -20.225 1.00 0.00 N ATOM 970 CA GLU A 60 4.407 -16.547 -21.275 1.00 0.00 C ATOM 971 C GLU A 60 3.236 -15.573 -21.297 1.00 0.00 C ATOM 972 O GLU A 60 2.805 -15.133 -22.366 1.00 0.00 O ATOM 973 CB GLU A 60 3.906 -17.986 -21.105 1.00 0.00 C ATOM 974 CG GLU A 60 3.038 -18.473 -22.256 1.00 0.00 C ATOM 975 CD GLU A 60 2.774 -19.959 -22.202 1.00 0.00 C ATOM 976 OE1 GLU A 60 3.712 -20.740 -22.468 1.00 0.00 O ATOM 977 OE2 GLU A 60 1.628 -20.360 -21.921 1.00 0.00 O1- ATOM 0 HA GLU A 60 4.927 -16.478 -22.230 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.764 -18.650 -21.003 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.337 -18.056 -20.178 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.088 -17.939 -22.240 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.525 -18.229 -23.200 1.00 0.00 H new ATOM 984 N ALA A 61 2.741 -15.219 -20.114 1.00 0.00 N ATOM 985 CA ALA A 61 1.628 -14.284 -19.996 1.00 0.00 C ATOM 986 C ALA A 61 2.005 -12.917 -20.564 1.00 0.00 C ATOM 987 O ALA A 61 1.201 -12.264 -21.219 1.00 0.00 O ATOM 988 CB ALA A 61 1.196 -14.156 -18.542 1.00 0.00 C ATOM 0 H ALA A 61 3.094 -15.567 -19.223 1.00 0.00 H new ATOM 0 HA ALA A 61 0.791 -14.674 -20.575 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.365 -13.455 -18.470 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.882 -15.131 -18.169 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.032 -13.791 -17.945 1.00 0.00 H new ATOM 994 N ALA A 62 3.236 -12.496 -20.310 1.00 0.00 N ATOM 995 CA ALA A 62 3.726 -11.228 -20.826 1.00 0.00 C ATOM 996 C ALA A 62 3.812 -11.255 -22.352 1.00 0.00 C ATOM 997 O ALA A 62 3.449 -10.289 -23.017 1.00 0.00 O ATOM 998 CB ALA A 62 5.084 -10.899 -20.221 1.00 0.00 C ATOM 0 H ALA A 62 3.913 -13.014 -19.750 1.00 0.00 H new ATOM 0 HA ALA A 62 3.019 -10.449 -20.541 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.438 -9.947 -20.617 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.992 -10.830 -19.137 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.796 -11.685 -20.475 1.00 0.00 H new ATOM 1004 N LYS A 63 4.280 -12.375 -22.898 1.00 0.00 N ATOM 1005 CA LYS A 63 4.423 -12.519 -24.345 1.00 0.00 C ATOM 1006 C LYS A 63 3.082 -12.445 -25.060 1.00 0.00 C ATOM 1007 O LYS A 63 2.953 -11.761 -26.076 1.00 0.00 O ATOM 1008 CB LYS A 63 5.145 -13.816 -24.695 1.00 0.00 C ATOM 1009 CG LYS A 63 6.608 -13.806 -24.309 1.00 0.00 C ATOM 1010 CD LYS A 63 7.312 -15.069 -24.756 1.00 0.00 C ATOM 1011 CE LYS A 63 8.811 -14.960 -24.542 1.00 0.00 C ATOM 1012 NZ LYS A 63 9.398 -13.813 -25.288 1.00 0.00 N1+ ATOM 0 H LYS A 63 4.566 -13.194 -22.362 1.00 0.00 H new ATOM 0 HA LYS A 63 5.026 -11.680 -24.692 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.649 -14.647 -24.194 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.060 -13.994 -25.767 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.096 -12.940 -24.755 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.699 -13.702 -23.228 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.923 -15.923 -24.201 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.104 -15.252 -25.810 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.018 -14.845 -23.478 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.291 -15.885 -24.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.415 -13.976 -25.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.929 -13.723 -26.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.260 -12.938 -24.744 1.00 0.00 H new ATOM 1026 N GLN A 64 2.079 -13.132 -24.533 1.00 0.00 N ATOM 1027 CA GLN A 64 0.747 -13.074 -25.117 1.00 0.00 C ATOM 1028 C GLN A 64 0.126 -11.707 -24.870 1.00 0.00 C ATOM 1029 O GLN A 64 -0.685 -11.228 -25.661 1.00 0.00 O ATOM 1030 CB GLN A 64 -0.149 -14.195 -24.585 1.00 0.00 C ATOM 1031 CG GLN A 64 -0.146 -14.333 -23.079 1.00 0.00 C ATOM 1032 CD GLN A 64 -1.095 -15.400 -22.584 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -1.608 -15.319 -21.476 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -1.339 -16.405 -23.403 1.00 0.00 N ATOM 0 H GLN A 64 2.160 -13.730 -23.711 1.00 0.00 H new ATOM 0 HA GLN A 64 0.840 -13.223 -26.193 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.171 -14.017 -24.920 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.171 -15.139 -25.025 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.864 -14.568 -22.743 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.417 -13.377 -22.631 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.892 -16.437 -24.319 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.975 -17.150 -23.120 1.00 0.00 H new ATOM 1043 N GLY A 65 0.530 -11.086 -23.769 1.00 0.00 N ATOM 1044 CA GLY A 65 0.051 -9.762 -23.447 1.00 0.00 C ATOM 1045 C GLY A 65 0.499 -8.762 -24.492 1.00 0.00 C ATOM 1046 O GLY A 65 -0.306 -7.984 -25.005 1.00 0.00 O ATOM 0 H GLY A 65 1.184 -11.480 -23.093 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.037 -9.769 -23.386 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.424 -9.463 -22.467 1.00 0.00 H new ATOM 1050 N ASP A 66 1.789 -8.801 -24.823 1.00 0.00 N ATOM 1051 CA ASP A 66 2.345 -7.946 -25.874 1.00 0.00 C ATOM 1052 C ASP A 66 1.730 -8.279 -27.216 1.00 0.00 C ATOM 1053 O ASP A 66 1.463 -7.391 -28.022 1.00 0.00 O ATOM 1054 CB ASP A 66 3.868 -8.081 -25.959 1.00 0.00 C ATOM 1055 CG ASP A 66 4.591 -7.166 -24.999 1.00 0.00 C ATOM 1056 OD1 ASP A 66 5.052 -7.640 -23.946 1.00 0.00 O ATOM 1057 OD2 ASP A 66 4.708 -5.956 -25.301 1.00 0.00 O1- ATOM 0 H ASP A 66 2.471 -9.416 -24.378 1.00 0.00 H new ATOM 0 HA ASP A 66 2.104 -6.915 -25.614 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.149 -9.113 -25.751 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.191 -7.861 -26.976 1.00 0.00 H new ATOM 1062 N GLN A 67 1.491 -9.563 -27.440 1.00 0.00 N ATOM 1063 CA GLN A 67 0.897 -10.047 -28.681 1.00 0.00 C ATOM 1064 C GLN A 67 -0.501 -9.460 -28.863 1.00 0.00 C ATOM 1065 O GLN A 67 -0.873 -9.030 -29.957 1.00 0.00 O ATOM 1066 CB GLN A 67 0.829 -11.574 -28.639 1.00 0.00 C ATOM 1067 CG GLN A 67 0.164 -12.222 -29.840 1.00 0.00 C ATOM 1068 CD GLN A 67 -0.013 -13.713 -29.644 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -0.162 -14.185 -28.517 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -0.003 -14.462 -30.722 1.00 0.00 N ATOM 0 H GLN A 67 1.703 -10.300 -26.767 1.00 0.00 H new ATOM 0 HA GLN A 67 1.511 -9.733 -29.525 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.842 -11.965 -28.549 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.291 -11.874 -27.740 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.808 -11.759 -30.012 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.765 -12.041 -30.731 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.123 -14.034 -31.639 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.121 -15.472 -30.642 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.256 -9.430 -27.774 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.607 -8.888 -27.776 1.00 0.00 C ATOM 1081 C TRP A 68 -2.569 -7.407 -28.149 1.00 0.00 C ATOM 1082 O TRP A 68 -3.428 -6.910 -28.878 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.260 -9.078 -26.402 1.00 0.00 C ATOM 1084 CG TRP A 68 -4.731 -8.781 -26.385 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -5.731 -9.661 -26.653 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.366 -7.532 -26.084 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -6.949 -9.047 -26.545 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -6.757 -7.737 -26.195 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -4.902 -6.263 -25.733 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -7.682 -6.724 -25.968 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -5.821 -5.258 -25.508 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.196 -5.494 -25.625 1.00 0.00 C ATOM 0 H TRP A 68 -0.950 -9.780 -26.866 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.203 -9.423 -28.515 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.102 -10.105 -26.074 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.760 -8.433 -25.680 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.585 -10.699 -26.914 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -7.853 -9.493 -26.700 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.843 -6.071 -25.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -8.743 -6.902 -26.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.473 -4.272 -25.237 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -7.888 -4.686 -25.440 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.543 -6.718 -27.658 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.377 -5.295 -27.918 1.00 0.00 C ATOM 1105 C VAL A 69 -1.094 -5.065 -29.401 1.00 0.00 C ATOM 1106 O VAL A 69 -1.625 -4.133 -30.006 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.229 -4.686 -27.070 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.041 -3.206 -27.390 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.506 -4.873 -25.587 1.00 0.00 C ATOM 0 H VAL A 69 -0.812 -7.126 -27.075 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.305 -4.798 -27.636 1.00 0.00 H new ATOM 0 HB VAL A 69 0.693 -5.210 -27.323 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.769 -2.803 -26.783 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.204 -3.090 -28.446 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.962 -2.666 -27.171 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.309 -4.440 -25.007 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.441 -4.376 -25.326 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.585 -5.937 -25.363 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.276 -5.942 -29.988 1.00 0.00 N ATOM 1120 CA GLN A 70 0.059 -5.849 -31.407 1.00 0.00 C ATOM 1121 C GLN A 70 -1.202 -6.010 -32.239 1.00 0.00 C ATOM 1122 O GLN A 70 -1.426 -5.280 -33.206 1.00 0.00 O ATOM 1123 CB GLN A 70 1.074 -6.932 -31.804 1.00 0.00 C ATOM 1124 CG GLN A 70 2.300 -7.002 -30.907 1.00 0.00 C ATOM 1125 CD GLN A 70 3.084 -5.705 -30.860 1.00 0.00 C ATOM 1126 OE1 GLN A 70 3.135 -4.957 -31.832 1.00 0.00 O ATOM 1127 NE2 GLN A 70 3.691 -5.432 -29.725 1.00 0.00 N ATOM 0 H GLN A 70 0.165 -6.723 -29.502 1.00 0.00 H new ATOM 0 HA GLN A 70 0.505 -4.872 -31.592 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.576 -7.901 -31.794 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.398 -6.751 -32.829 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.988 -7.266 -29.897 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.953 -7.801 -31.258 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.623 -6.081 -28.941 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.229 -4.571 -29.629 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.033 -6.966 -31.839 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.296 -7.232 -32.511 1.00 0.00 C ATOM 1138 C LEU A 71 -4.214 -6.016 -32.433 1.00 0.00 C ATOM 1139 O LEU A 71 -4.898 -5.684 -33.398 1.00 0.00 O ATOM 1140 CB LEU A 71 -3.985 -8.449 -31.889 1.00 0.00 C ATOM 1141 CG LEU A 71 -3.247 -9.780 -32.023 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -3.955 -10.863 -31.225 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -3.143 -10.185 -33.483 1.00 0.00 C ATOM 0 H LEU A 71 -1.849 -7.576 -31.042 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.086 -7.443 -33.560 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.143 -8.249 -30.829 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.970 -8.555 -32.344 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.240 -9.657 -31.624 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.416 -11.804 -31.331 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.985 -10.579 -30.173 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.972 -10.983 -31.597 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.615 -11.135 -33.560 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.143 -10.291 -33.903 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.597 -9.420 -34.035 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.209 -5.349 -31.283 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.025 -4.155 -31.084 1.00 0.00 C ATOM 1157 C PHE A 72 -4.576 -3.042 -32.025 1.00 0.00 C ATOM 1158 O PHE A 72 -5.403 -2.344 -32.623 1.00 0.00 O ATOM 1159 CB PHE A 72 -4.958 -3.678 -29.626 1.00 0.00 C ATOM 1160 CG PHE A 72 -5.764 -2.429 -29.363 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.134 -2.502 -29.167 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -5.151 -1.185 -29.320 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -7.877 -1.360 -28.935 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -5.889 -0.039 -29.088 1.00 0.00 C ATOM 1165 CZ PHE A 72 -7.253 -0.127 -28.895 1.00 0.00 C ATOM 0 H PHE A 72 -3.648 -5.615 -30.474 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.060 -4.412 -31.310 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.316 -4.475 -28.974 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.917 -3.492 -29.360 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.627 -3.463 -29.196 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.084 -1.111 -29.470 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.944 -1.431 -28.785 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.399 0.923 -29.058 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.832 0.766 -28.713 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.263 -2.883 -32.157 1.00 0.00 N ATOM 1176 CA GLN A 73 -2.696 -1.878 -33.047 1.00 0.00 C ATOM 1177 C GLN A 73 -3.127 -2.147 -34.480 1.00 0.00 C ATOM 1178 O GLN A 73 -3.534 -1.241 -35.199 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.170 -1.890 -32.962 1.00 0.00 C ATOM 1180 CG GLN A 73 -0.616 -1.599 -31.577 1.00 0.00 C ATOM 1181 CD GLN A 73 0.873 -1.858 -31.498 1.00 0.00 C ATOM 1182 OE1 GLN A 73 1.398 -2.708 -32.205 1.00 0.00 O ATOM 1183 NE2 GLN A 73 1.561 -1.137 -30.638 1.00 0.00 N ATOM 0 H GLN A 73 -2.570 -3.440 -31.657 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.061 -0.899 -32.738 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.808 -2.865 -33.287 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.774 -1.153 -33.661 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.818 -0.560 -31.316 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.131 -2.218 -30.843 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.088 -0.438 -30.066 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.567 -1.278 -30.544 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.055 -3.413 -34.879 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.450 -3.824 -36.222 1.00 0.00 C ATOM 1194 C ARG A 74 -4.945 -3.612 -36.425 1.00 0.00 C ATOM 1195 O ARG A 74 -5.385 -3.240 -37.504 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.085 -5.290 -36.459 1.00 0.00 C ATOM 1197 CG ARG A 74 -1.606 -5.577 -36.274 1.00 0.00 C ATOM 1198 CD ARG A 74 -1.308 -7.062 -36.338 1.00 0.00 C ATOM 1199 NE ARG A 74 0.046 -7.354 -35.867 1.00 0.00 N ATOM 1200 CZ ARG A 74 0.433 -8.523 -35.358 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -0.397 -9.562 -35.358 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 1.664 -8.661 -34.878 1.00 0.00 N ATOM 0 H ARG A 74 -2.725 -4.176 -34.288 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.911 -3.210 -36.944 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.658 -5.915 -35.774 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.379 -5.572 -37.470 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.036 -5.058 -37.045 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.276 -5.181 -35.313 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.032 -7.607 -35.731 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.422 -7.414 -37.363 1.00 0.00 H new ATOM 0 HE ARG A 74 0.742 -6.611 -35.933 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.334 -9.466 -35.749 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.096 -10.455 -34.967 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.311 -7.873 -34.899 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.962 -9.555 -34.488 1.00 0.00 H new ATOM 1216 N PHE A 75 -5.712 -3.858 -35.372 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.154 -3.648 -35.405 1.00 0.00 C ATOM 1218 C PHE A 75 -7.466 -2.181 -35.694 1.00 0.00 C ATOM 1219 O PHE A 75 -8.278 -1.867 -36.563 1.00 0.00 O ATOM 1220 CB PHE A 75 -7.798 -4.086 -34.082 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.294 -3.929 -34.053 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.108 -4.795 -34.766 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -9.887 -2.916 -33.314 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.481 -4.654 -34.744 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.261 -2.771 -33.289 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.059 -3.641 -34.004 1.00 0.00 C ATOM 0 H PHE A 75 -5.358 -4.205 -34.480 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.574 -4.259 -36.204 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.548 -5.130 -33.895 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.365 -3.504 -33.268 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.663 -5.590 -35.346 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.268 -2.233 -32.752 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.103 -5.336 -35.305 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.710 -1.977 -32.710 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.133 -3.530 -33.985 1.00 0.00 H new ATOM 1236 N ARG A 76 -6.799 -1.291 -34.972 1.00 0.00 N ATOM 1237 CA ARG A 76 -6.976 0.141 -35.166 1.00 0.00 C ATOM 1238 C ARG A 76 -6.478 0.551 -36.555 1.00 0.00 C ATOM 1239 O ARG A 76 -7.075 1.398 -37.221 1.00 0.00 O ATOM 1240 CB ARG A 76 -6.221 0.923 -34.096 1.00 0.00 C ATOM 1241 CG ARG A 76 -6.736 2.338 -33.893 1.00 0.00 C ATOM 1242 CD ARG A 76 -5.596 3.328 -33.766 1.00 0.00 C ATOM 1243 NE ARG A 76 -4.996 3.631 -35.067 1.00 0.00 N ATOM 1244 CZ ARG A 76 -3.695 3.831 -35.276 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -2.821 3.697 -34.286 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -3.274 4.151 -36.482 1.00 0.00 N ATOM 0 H ARG A 76 -6.128 -1.537 -34.244 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.039 0.370 -35.085 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.286 0.384 -33.151 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.166 0.966 -34.367 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.372 2.619 -34.732 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.355 2.377 -32.997 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.962 4.248 -33.311 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.835 2.923 -33.099 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.619 3.694 -35.872 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.143 3.438 -33.353 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.828 3.853 -34.458 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.942 4.244 -37.247 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.280 4.306 -36.651 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.388 -0.076 -36.986 1.00 0.00 N ATOM 1261 CA GLU A 77 -4.793 0.200 -38.288 1.00 0.00 C ATOM 1262 C GLU A 77 -5.722 -0.227 -39.403 1.00 0.00 C ATOM 1263 O GLU A 77 -5.836 0.450 -40.424 1.00 0.00 O ATOM 1264 CB GLU A 77 -3.458 -0.529 -38.430 1.00 0.00 C ATOM 1265 CG GLU A 77 -2.271 0.251 -37.911 1.00 0.00 C ATOM 1266 CD GLU A 77 -2.010 1.488 -38.732 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -2.200 1.437 -39.966 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -1.594 2.516 -38.158 1.00 0.00 O1- ATOM 0 H GLU A 77 -4.895 -0.786 -36.445 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.625 1.275 -38.359 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.516 -1.478 -37.898 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.294 -0.763 -39.482 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.448 0.534 -36.873 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.386 -0.385 -37.921 1.00 0.00 H new ATOM 1275 N ALA A 78 -6.396 -1.345 -39.199 1.00 0.00 N ATOM 1276 CA ALA A 78 -7.315 -1.872 -40.183 1.00 0.00 C ATOM 1277 C ALA A 78 -8.475 -0.918 -40.392 1.00 0.00 C ATOM 1278 O ALA A 78 -8.992 -0.798 -41.498 1.00 0.00 O ATOM 1279 CB ALA A 78 -7.810 -3.248 -39.771 1.00 0.00 C ATOM 0 H ALA A 78 -6.320 -1.907 -38.351 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.785 -1.974 -41.130 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.500 -3.627 -40.525 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.963 -3.928 -39.681 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.323 -3.178 -38.812 1.00 0.00 H new ATOM 1285 N ILE A 79 -8.870 -0.219 -39.328 1.00 0.00 N ATOM 1286 CA ILE A 79 -9.945 0.756 -39.411 1.00 0.00 C ATOM 1287 C ILE A 79 -9.482 1.966 -40.227 1.00 0.00 C ATOM 1288 O ILE A 79 -10.255 2.563 -40.976 1.00 0.00 O ATOM 1289 CB ILE A 79 -10.390 1.223 -37.994 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -10.915 0.035 -37.182 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -11.460 2.305 -38.093 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -11.302 0.385 -35.758 1.00 0.00 C ATOM 0 H ILE A 79 -8.458 -0.314 -38.400 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.797 0.283 -39.900 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.522 1.642 -37.485 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -11.783 -0.385 -37.691 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.152 -0.743 -37.160 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -11.756 2.617 -37.091 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.062 3.162 -38.637 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.328 1.911 -38.622 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.664 -0.509 -35.249 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.432 0.776 -35.230 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -12.089 1.139 -35.770 1.00 0.00 H new ATOM 1304 N ASP A 80 -8.203 2.300 -40.094 1.00 0.00 N ATOM 1305 CA ASP A 80 -7.619 3.427 -40.827 1.00 0.00 C ATOM 1306 C ASP A 80 -7.452 3.061 -42.292 1.00 0.00 C ATOM 1307 O ASP A 80 -7.609 3.898 -43.181 1.00 0.00 O ATOM 1308 CB ASP A 80 -6.259 3.827 -40.242 1.00 0.00 C ATOM 1309 CG ASP A 80 -6.351 4.416 -38.851 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -5.367 4.299 -38.086 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -7.393 5.006 -38.512 1.00 0.00 O1- ATOM 0 H ASP A 80 -7.547 1.809 -39.486 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.297 4.275 -40.733 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.612 2.950 -40.215 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.786 4.552 -40.905 1.00 0.00 H new ATOM 1316 N LYS A 81 -7.137 1.797 -42.532 1.00 0.00 N ATOM 1317 CA LYS A 81 -6.958 1.287 -43.885 1.00 0.00 C ATOM 1318 C LYS A 81 -8.310 0.958 -44.516 1.00 0.00 C ATOM 1319 O LYS A 81 -8.393 0.649 -45.699 1.00 0.00 O ATOM 1320 CB LYS A 81 -6.067 0.036 -43.865 1.00 0.00 C ATOM 1321 CG LYS A 81 -4.665 0.275 -43.307 1.00 0.00 C ATOM 1322 CD LYS A 81 -3.840 1.162 -44.226 1.00 0.00 C ATOM 1323 CE LYS A 81 -2.482 1.503 -43.616 1.00 0.00 C ATOM 1324 NZ LYS A 81 -2.600 2.399 -42.434 1.00 0.00 N1+ ATOM 0 H LYS A 81 -6.999 1.099 -41.801 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.473 2.058 -44.484 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.556 -0.735 -43.270 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.981 -0.351 -44.880 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.739 0.738 -42.323 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.159 -0.681 -43.172 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.693 0.659 -45.182 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.388 2.082 -44.431 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.977 0.583 -43.322 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.858 1.982 -44.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.140 3.309 -42.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.605 2.560 -42.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.138 1.956 -41.615 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.363 1.027 -43.709 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.704 0.757 -44.196 1.00 0.00 C ATOM 1340 C GLY A 82 -10.922 -0.706 -44.525 1.00 0.00 C ATOM 1341 O GLY A 82 -11.789 -1.046 -45.330 1.00 0.00 O ATOM 0 H GLY A 82 -9.311 1.267 -42.719 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.429 1.068 -43.444 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.891 1.357 -45.086 1.00 0.00 H new ATOM 1345 N ASP A 83 -10.147 -1.568 -43.897 1.00 0.00 N ATOM 1346 CA ASP A 83 -10.235 -2.996 -44.144 1.00 0.00 C ATOM 1347 C ASP A 83 -11.202 -3.623 -43.145 1.00 0.00 C ATOM 1348 O ASP A 83 -10.832 -3.925 -42.008 1.00 0.00 O ATOM 1349 CB ASP A 83 -8.847 -3.637 -44.022 1.00 0.00 C ATOM 1350 CG ASP A 83 -8.782 -5.048 -44.582 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -9.557 -5.914 -44.144 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -7.923 -5.304 -45.453 1.00 0.00 O1- ATOM 0 H ASP A 83 -9.444 -1.303 -43.207 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.605 -3.169 -45.155 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.120 -3.014 -44.543 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.555 -3.657 -42.972 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.438 -3.791 -43.570 1.00 0.00 N ATOM 1358 CA LYS A 84 -13.483 -4.320 -42.704 1.00 0.00 C ATOM 1359 C LYS A 84 -13.298 -5.815 -42.477 1.00 0.00 C ATOM 1360 O LYS A 84 -13.616 -6.339 -41.406 1.00 0.00 O ATOM 1361 CB LYS A 84 -14.868 -4.032 -43.295 1.00 0.00 C ATOM 1362 CG LYS A 84 -16.026 -4.478 -42.414 1.00 0.00 C ATOM 1363 CD LYS A 84 -17.363 -4.090 -43.023 1.00 0.00 C ATOM 1364 CE LYS A 84 -18.522 -4.541 -42.153 1.00 0.00 C ATOM 1365 NZ LYS A 84 -19.826 -4.082 -42.689 1.00 0.00 N1+ ATOM 0 H LYS A 84 -12.749 -3.568 -44.516 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.408 -3.820 -41.738 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.957 -2.961 -43.479 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.949 -4.529 -44.262 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.986 -5.559 -42.277 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.929 -4.027 -41.426 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.404 -3.009 -43.154 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.456 -4.535 -44.014 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.521 -5.629 -42.082 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -18.389 -4.156 -41.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -20.592 -4.410 -42.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.837 -3.043 -42.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.965 -4.470 -43.644 1.00 0.00 H new ATOM 1379 N ASP A 85 -12.754 -6.490 -43.480 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.554 -7.934 -43.419 1.00 0.00 C ATOM 1381 C ASP A 85 -11.584 -8.312 -42.324 1.00 0.00 C ATOM 1382 O ASP A 85 -11.830 -9.253 -41.563 1.00 0.00 O ATOM 1383 CB ASP A 85 -12.062 -8.482 -44.758 1.00 0.00 C ATOM 1384 CG ASP A 85 -13.107 -8.400 -45.841 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -14.053 -9.219 -45.826 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -12.992 -7.519 -46.718 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.441 -6.060 -44.350 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.522 -8.380 -43.193 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.177 -7.927 -45.070 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.758 -9.521 -44.631 1.00 0.00 H new ATOM 1391 N SER A 86 -10.480 -7.583 -42.228 1.00 0.00 N ATOM 1392 CA SER A 86 -9.479 -7.853 -41.220 1.00 0.00 C ATOM 1393 C SER A 86 -10.012 -7.597 -39.821 1.00 0.00 C ATOM 1394 O SER A 86 -9.606 -8.259 -38.886 1.00 0.00 O ATOM 1395 CB SER A 86 -8.223 -7.025 -41.473 1.00 0.00 C ATOM 1396 OG SER A 86 -7.690 -7.309 -42.754 1.00 0.00 O ATOM 0 H SER A 86 -10.260 -6.798 -42.841 1.00 0.00 H new ATOM 0 HA SER A 86 -9.220 -8.910 -41.288 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.459 -5.964 -41.398 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.478 -7.240 -40.707 1.00 0.00 H new ATOM 0 HG SER A 86 -6.886 -6.768 -42.901 1.00 0.00 H new ATOM 1402 N LEU A 87 -10.939 -6.651 -39.686 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.494 -6.317 -38.375 1.00 0.00 C ATOM 1404 C LEU A 87 -12.141 -7.542 -37.753 1.00 0.00 C ATOM 1405 O LEU A 87 -11.897 -7.865 -36.596 1.00 0.00 O ATOM 1406 CB LEU A 87 -12.536 -5.198 -38.495 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.027 -3.862 -39.032 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.168 -2.863 -39.136 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -10.926 -3.319 -38.142 1.00 0.00 C ATOM 0 H LEU A 87 -11.319 -6.106 -40.460 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.678 -5.974 -37.739 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.339 -5.545 -39.145 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.973 -5.028 -37.511 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.617 -4.023 -40.029 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.789 -1.916 -39.520 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.930 -3.250 -39.813 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.605 -2.706 -38.150 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.574 -2.367 -38.538 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.313 -3.172 -37.134 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.099 -4.028 -38.113 1.00 0.00 H new ATOM 1421 N GLU A 88 -12.944 -8.228 -38.543 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.620 -9.438 -38.102 1.00 0.00 C ATOM 1423 C GLU A 88 -12.605 -10.525 -37.722 1.00 0.00 C ATOM 1424 O GLU A 88 -12.766 -11.221 -36.711 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.535 -9.942 -39.216 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.496 -8.885 -39.737 1.00 0.00 C ATOM 1427 CD GLU A 88 -16.303 -9.367 -40.919 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -17.290 -10.099 -40.709 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -15.965 -9.010 -42.064 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.148 -7.965 -39.507 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.213 -9.206 -37.218 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.923 -10.304 -40.042 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.108 -10.793 -38.847 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.173 -8.588 -38.936 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.933 -7.997 -40.024 1.00 0.00 H new ATOM 1436 N GLN A 89 -11.559 -10.653 -38.528 1.00 0.00 N ATOM 1437 CA GLN A 89 -10.523 -11.655 -38.296 1.00 0.00 C ATOM 1438 C GLN A 89 -9.694 -11.296 -37.054 1.00 0.00 C ATOM 1439 O GLN A 89 -9.431 -12.143 -36.205 1.00 0.00 O ATOM 1440 CB GLN A 89 -9.622 -11.775 -39.544 1.00 0.00 C ATOM 1441 CG GLN A 89 -8.771 -13.048 -39.605 1.00 0.00 C ATOM 1442 CD GLN A 89 -7.596 -13.055 -38.637 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -7.208 -14.106 -38.124 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -6.991 -11.899 -38.420 1.00 0.00 N ATOM 0 H GLN A 89 -11.404 -10.073 -39.353 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.997 -12.620 -38.114 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.251 -11.733 -40.433 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.959 -10.910 -39.580 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.407 -13.908 -39.395 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.393 -13.172 -40.620 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.341 -11.049 -38.862 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.174 -11.857 -37.810 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.309 -10.031 -36.952 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.500 -9.551 -35.836 1.00 0.00 C ATOM 1455 C LEU A 90 -9.263 -9.652 -34.528 1.00 0.00 C ATOM 1456 O LEU A 90 -8.674 -9.871 -33.476 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.033 -8.113 -36.084 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.073 -7.930 -37.266 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -6.829 -6.458 -37.533 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -5.757 -8.646 -37.004 1.00 0.00 C ATOM 0 H LEU A 90 -9.546 -9.311 -37.635 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.618 -10.188 -35.760 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.910 -7.487 -36.249 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.545 -7.746 -35.181 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.535 -8.369 -38.150 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.145 -6.349 -38.375 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.775 -5.969 -37.768 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.391 -5.995 -36.648 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.090 -8.504 -37.854 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.293 -8.237 -36.106 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.944 -9.711 -36.863 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.578 -9.510 -34.603 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.420 -9.654 -33.427 1.00 0.00 C ATOM 1474 C LEU A 91 -11.367 -11.081 -32.934 1.00 0.00 C ATOM 1475 O LEU A 91 -11.367 -11.332 -31.733 1.00 0.00 O ATOM 1476 CB LEU A 91 -12.862 -9.256 -33.724 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.142 -7.759 -33.764 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -14.586 -7.514 -34.131 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -12.820 -7.117 -32.421 1.00 0.00 C ATOM 0 H LEU A 91 -11.083 -9.296 -35.463 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.042 -8.986 -32.653 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.147 -9.686 -34.684 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.506 -9.707 -32.969 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.503 -7.305 -34.521 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.778 -6.441 -34.157 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -14.790 -7.943 -35.112 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.234 -7.980 -33.389 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.027 -6.048 -32.470 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -13.436 -7.570 -31.644 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.767 -7.273 -32.186 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.300 -12.011 -33.878 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.204 -13.422 -33.562 1.00 0.00 C ATOM 1493 C GLU A 92 -9.905 -13.685 -32.804 1.00 0.00 C ATOM 1494 O GLU A 92 -9.894 -14.386 -31.789 1.00 0.00 O ATOM 1495 CB GLU A 92 -11.237 -14.250 -34.851 1.00 0.00 C ATOM 1496 CG GLU A 92 -11.521 -15.725 -34.637 1.00 0.00 C ATOM 1497 CD GLU A 92 -12.905 -15.965 -34.080 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -13.891 -15.707 -34.805 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -13.014 -16.412 -32.917 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.311 -11.806 -34.877 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.050 -13.711 -32.938 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.997 -13.838 -35.515 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.279 -14.146 -35.360 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.415 -16.255 -35.584 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.780 -16.141 -33.955 1.00 0.00 H new ATOM 1506 N GLU A 93 -8.813 -13.096 -33.298 1.00 0.00 N ATOM 1507 CA GLU A 93 -7.513 -13.239 -32.661 1.00 0.00 C ATOM 1508 C GLU A 93 -7.497 -12.550 -31.299 1.00 0.00 C ATOM 1509 O GLU A 93 -6.982 -13.097 -30.330 1.00 0.00 O ATOM 1510 CB GLU A 93 -6.400 -12.661 -33.548 1.00 0.00 C ATOM 1511 CG GLU A 93 -6.278 -13.324 -34.912 1.00 0.00 C ATOM 1512 CD GLU A 93 -5.014 -12.913 -35.648 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -3.952 -13.513 -35.384 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -5.074 -12.000 -36.506 1.00 0.00 O1- ATOM 0 H GLU A 93 -8.809 -12.517 -34.137 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.331 -14.304 -32.519 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.581 -11.596 -33.690 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.449 -12.756 -33.025 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.286 -14.407 -34.788 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.147 -13.066 -35.517 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.094 -11.363 -31.226 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.128 -10.593 -29.986 1.00 0.00 C ATOM 1523 C LEU A 94 -8.926 -11.322 -28.922 1.00 0.00 C ATOM 1524 O LEU A 94 -8.483 -11.454 -27.783 1.00 0.00 O ATOM 1525 CB LEU A 94 -8.744 -9.208 -30.225 1.00 0.00 C ATOM 1526 CG LEU A 94 -7.851 -8.179 -30.919 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.669 -6.969 -31.343 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.726 -7.750 -29.993 1.00 0.00 C ATOM 0 H LEU A 94 -8.562 -10.913 -32.013 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.101 -10.473 -29.641 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.648 -9.334 -30.821 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.052 -8.800 -29.262 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.419 -8.638 -31.808 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.020 -6.245 -31.836 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.452 -7.283 -32.033 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.123 -6.510 -30.464 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.098 -7.017 -30.499 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.147 -7.306 -29.091 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.125 -8.619 -29.723 1.00 0.00 H new ATOM 1540 N GLU A 95 -10.110 -11.779 -29.298 1.00 0.00 N ATOM 1541 CA GLU A 95 -10.992 -12.494 -28.392 1.00 0.00 C ATOM 1542 C GLU A 95 -10.339 -13.778 -27.874 1.00 0.00 C ATOM 1543 O GLU A 95 -10.354 -14.041 -26.675 1.00 0.00 O ATOM 1544 CB GLU A 95 -12.306 -12.804 -29.110 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.435 -13.251 -28.206 1.00 0.00 C ATOM 1546 CD GLU A 95 -14.738 -13.383 -28.960 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -15.406 -12.352 -29.189 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -15.099 -14.519 -29.336 1.00 0.00 O1- ATOM 0 H GLU A 95 -10.486 -11.664 -30.239 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.192 -11.864 -27.526 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.625 -11.915 -29.653 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.124 -13.582 -29.851 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.179 -14.208 -27.751 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.556 -12.534 -27.394 1.00 0.00 H new ATOM 1555 N GLN A 96 -9.730 -14.546 -28.773 1.00 0.00 N ATOM 1556 CA GLN A 96 -9.075 -15.801 -28.397 1.00 0.00 C ATOM 1557 C GLN A 96 -7.875 -15.536 -27.492 1.00 0.00 C ATOM 1558 O GLN A 96 -7.635 -16.260 -26.516 1.00 0.00 O ATOM 1559 CB GLN A 96 -8.626 -16.556 -29.651 1.00 0.00 C ATOM 1560 CG GLN A 96 -7.840 -17.830 -29.370 1.00 0.00 C ATOM 1561 CD GLN A 96 -7.411 -18.536 -30.639 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -8.092 -18.463 -31.663 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -6.284 -19.224 -30.585 1.00 0.00 N ATOM 0 H GLN A 96 -9.675 -14.324 -29.767 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.793 -16.411 -27.849 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.506 -16.809 -30.242 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.013 -15.892 -30.260 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.958 -17.586 -28.777 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.450 -18.505 -28.770 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.749 -19.259 -29.717 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.949 -19.720 -31.411 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.145 -14.484 -27.815 1.00 0.00 N ATOM 1573 CA ALA A 97 -5.966 -14.116 -27.059 1.00 0.00 C ATOM 1574 C ALA A 97 -6.354 -13.615 -25.677 1.00 0.00 C ATOM 1575 O ALA A 97 -5.781 -14.035 -24.680 1.00 0.00 O ATOM 1576 CB ALA A 97 -5.157 -13.068 -27.805 1.00 0.00 C ATOM 0 H ALA A 97 -7.351 -13.867 -28.601 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.344 -15.003 -26.939 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.275 -12.805 -27.220 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.846 -13.467 -28.770 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.768 -12.179 -27.960 1.00 0.00 H new ATOM 1582 N LEU A 98 -7.367 -12.753 -25.625 1.00 0.00 N ATOM 1583 CA LEU A 98 -7.828 -12.181 -24.364 1.00 0.00 C ATOM 1584 C LEU A 98 -8.330 -13.264 -23.427 1.00 0.00 C ATOM 1585 O LEU A 98 -7.991 -13.278 -22.238 1.00 0.00 O ATOM 1586 CB LEU A 98 -8.927 -11.129 -24.618 1.00 0.00 C ATOM 1587 CG LEU A 98 -9.539 -10.459 -23.374 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -9.882 -9.015 -23.669 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -10.787 -11.204 -22.913 1.00 0.00 C ATOM 0 H LEU A 98 -7.885 -12.435 -26.444 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.982 -11.688 -23.885 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.511 -10.349 -25.256 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.731 -11.605 -25.179 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.799 -10.494 -22.574 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.314 -8.555 -22.780 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.978 -8.477 -23.953 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.602 -8.972 -24.486 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.201 -10.711 -22.033 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.528 -11.202 -23.712 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.526 -12.232 -22.664 1.00 0.00 H new ATOM 1601 N GLN A 99 -9.136 -14.172 -23.959 1.00 0.00 N ATOM 1602 CA GLN A 99 -9.663 -15.258 -23.156 1.00 0.00 C ATOM 1603 C GLN A 99 -8.548 -16.118 -22.591 1.00 0.00 C ATOM 1604 O GLN A 99 -8.598 -16.508 -21.426 1.00 0.00 O ATOM 1605 CB GLN A 99 -10.634 -16.131 -23.961 1.00 0.00 C ATOM 1606 CG GLN A 99 -11.869 -15.393 -24.458 1.00 0.00 C ATOM 1607 CD GLN A 99 -12.590 -14.642 -23.358 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -12.561 -15.037 -22.190 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -13.241 -13.556 -23.721 1.00 0.00 N ATOM 0 H GLN A 99 -9.435 -14.176 -24.934 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.208 -14.805 -22.328 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.105 -16.549 -24.817 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.950 -16.970 -23.341 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.577 -14.691 -25.239 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.555 -16.108 -24.913 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.240 -13.263 -24.698 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.746 -13.008 -23.025 1.00 0.00 H new ATOM 1618 N LYS A 100 -7.526 -16.398 -23.395 1.00 0.00 N ATOM 1619 CA LYS A 100 -6.443 -17.239 -22.932 1.00 0.00 C ATOM 1620 C LYS A 100 -5.561 -16.521 -21.914 1.00 0.00 C ATOM 1621 O LYS A 100 -5.081 -17.138 -20.968 1.00 0.00 O ATOM 1622 CB LYS A 100 -5.605 -17.769 -24.086 1.00 0.00 C ATOM 1623 CG LYS A 100 -4.729 -18.936 -23.676 1.00 0.00 C ATOM 1624 CD LYS A 100 -4.087 -19.606 -24.868 1.00 0.00 C ATOM 1625 CE LYS A 100 -3.565 -20.981 -24.494 1.00 0.00 C ATOM 1626 NZ LYS A 100 -4.657 -21.877 -24.027 1.00 0.00 N1+ ATOM 0 H LYS A 100 -7.431 -16.059 -24.352 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.904 -18.091 -22.433 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.264 -18.080 -24.897 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.978 -16.967 -24.475 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.953 -18.586 -22.995 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.328 -19.664 -23.129 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.813 -19.695 -25.676 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.269 -18.990 -25.241 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.070 -21.429 -25.356 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.814 -20.884 -23.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.344 -22.867 -24.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.895 -21.649 -23.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.497 -21.742 -24.626 1.00 0.00 H new ATOM 1640 N ILE A 101 -5.340 -15.222 -22.111 1.00 0.00 N ATOM 1641 CA ILE A 101 -4.533 -14.452 -21.168 1.00 0.00 C ATOM 1642 C ILE A 101 -5.188 -14.461 -19.797 1.00 0.00 C ATOM 1643 O ILE A 101 -4.535 -14.724 -18.790 1.00 0.00 O ATOM 1644 CB ILE A 101 -4.320 -12.987 -21.632 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -3.567 -12.954 -22.964 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -3.553 -12.198 -20.571 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -3.384 -11.565 -23.533 1.00 0.00 C ATOM 0 H ILE A 101 -5.702 -14.689 -22.901 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.554 -14.928 -21.119 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.297 -12.523 -21.772 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.587 -13.411 -22.827 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.105 -13.565 -23.689 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.412 -11.172 -20.912 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.119 -12.196 -19.639 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.581 -12.662 -20.404 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.842 -11.627 -24.477 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.360 -11.110 -23.704 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.818 -10.955 -22.829 1.00 0.00 H new ATOM 1659 N ARG A 102 -6.493 -14.202 -19.766 1.00 0.00 N ATOM 1660 CA ARG A 102 -7.247 -14.243 -18.520 1.00 0.00 C ATOM 1661 C ARG A 102 -7.208 -15.655 -17.931 1.00 0.00 C ATOM 1662 O ARG A 102 -7.148 -15.833 -16.715 1.00 0.00 O ATOM 1663 CB ARG A 102 -8.699 -13.790 -18.760 1.00 0.00 C ATOM 1664 CG ARG A 102 -9.577 -13.814 -17.514 1.00 0.00 C ATOM 1665 CD ARG A 102 -10.920 -13.128 -17.752 1.00 0.00 C ATOM 1666 NE ARG A 102 -11.719 -13.779 -18.801 1.00 0.00 N ATOM 1667 CZ ARG A 102 -13.062 -13.715 -18.874 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -13.752 -13.077 -17.936 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -13.707 -14.295 -19.878 1.00 0.00 N ATOM 0 H ARG A 102 -7.047 -13.962 -20.588 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.791 -13.558 -17.805 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.689 -12.778 -19.164 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.147 -14.432 -19.519 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.746 -14.847 -17.208 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.057 -13.320 -16.694 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.488 -13.121 -16.822 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.747 -12.088 -18.028 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.226 -14.312 -19.517 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.265 -12.634 -17.157 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.769 -13.030 -17.994 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.185 -14.793 -20.600 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.724 -14.243 -19.928 1.00 0.00 H new ATOM 1683 N GLU A 103 -7.218 -16.644 -18.812 1.00 0.00 N ATOM 1684 CA GLU A 103 -7.164 -18.045 -18.421 1.00 0.00 C ATOM 1685 C GLU A 103 -5.835 -18.369 -17.727 1.00 0.00 C ATOM 1686 O GLU A 103 -5.816 -18.985 -16.657 1.00 0.00 O ATOM 1687 CB GLU A 103 -7.330 -18.916 -19.674 1.00 0.00 C ATOM 1688 CG GLU A 103 -7.182 -20.410 -19.449 1.00 0.00 C ATOM 1689 CD GLU A 103 -7.203 -21.181 -20.752 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -6.120 -21.583 -21.236 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -8.299 -21.380 -21.316 1.00 0.00 O1- ATOM 0 H GLU A 103 -7.264 -16.498 -19.820 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.969 -18.250 -17.715 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.314 -18.725 -20.101 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.595 -18.602 -20.415 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.247 -20.608 -18.925 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.988 -20.762 -18.806 1.00 0.00 H new ATOM 1698 N LEU A 104 -4.732 -17.932 -18.328 1.00 0.00 N ATOM 1699 CA LEU A 104 -3.401 -18.192 -17.791 1.00 0.00 C ATOM 1700 C LEU A 104 -3.107 -17.341 -16.566 1.00 0.00 C ATOM 1701 O LEU A 104 -2.510 -17.812 -15.606 1.00 0.00 O ATOM 1702 CB LEU A 104 -2.331 -17.953 -18.861 1.00 0.00 C ATOM 1703 CG LEU A 104 -2.359 -18.902 -20.062 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -1.216 -18.598 -21.008 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -2.291 -20.346 -19.606 1.00 0.00 C ATOM 0 H LEU A 104 -4.735 -17.392 -19.194 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.377 -19.238 -17.486 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.434 -16.932 -19.228 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.351 -18.025 -18.389 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.299 -18.750 -20.592 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.253 -19.283 -21.855 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.303 -17.572 -21.366 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.268 -18.720 -20.484 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.312 -21.003 -20.475 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.368 -20.509 -19.050 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.144 -20.565 -18.964 1.00 0.00 H new ATOM 1717 N ALA A 105 -3.529 -16.092 -16.599 1.00 0.00 N ATOM 1718 CA ALA A 105 -3.284 -15.176 -15.494 1.00 0.00 C ATOM 1719 C ALA A 105 -4.005 -15.625 -14.231 1.00 0.00 C ATOM 1720 O ALA A 105 -3.541 -15.376 -13.118 1.00 0.00 O ATOM 1721 CB ALA A 105 -3.707 -13.768 -15.871 1.00 0.00 C ATOM 0 H ALA A 105 -4.044 -15.684 -17.379 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.214 -15.180 -15.288 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.518 -13.095 -15.035 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.137 -13.437 -16.739 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.770 -13.759 -16.110 1.00 0.00 H new