USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=9 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 9 THR OG1 : rot -78:sc= 1.69 USER MOD Set 1.2: A 46 HIS : no HE2:sc= 0.62 K(o=2.3,f=-2.7!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.7!) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 18 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.78) USER MOD Single : A 26 LYS NZ :NH3+ -134:sc= 1.21 (180deg=0.698) USER MOD Single : A 31 SER OG : rot 180:sc= -0.178 USER MOD Single : A 34 GLN : amide:sc= 1.13 K(o=1.1,f=-0.38) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0609) USER MOD Single : A 48 GLN : amide:sc= -0.182 K(o=-0.18,f=-0.86) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.0716 (180deg=-0.374) USER MOD Single : A 64 GLN : amide:sc= -0.648 K(o=-0.65,f=-2.6) USER MOD Single : A 67 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.11) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.447 F(o=-1.1,f=-0.45) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc=-0.00435 (180deg=-0.0675) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 56:sc= 0.954 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 96 GLN : amide:sc=-0.00712 K(o=-0.0071,f=-0.89) USER MOD Single : A 99 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.71) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -4.050 -4.941 -8.588 1.00 0.00 N ATOM 65 CA LYS A 5 -4.369 -3.921 -9.583 1.00 0.00 C ATOM 66 C LYS A 5 -4.035 -4.429 -10.984 1.00 0.00 C ATOM 67 O LYS A 5 -4.623 -4.003 -11.976 1.00 0.00 O ATOM 68 CB LYS A 5 -3.607 -2.633 -9.280 1.00 0.00 C ATOM 69 CG LYS A 5 -3.950 -2.032 -7.927 1.00 0.00 C ATOM 70 CD LYS A 5 -3.045 -0.863 -7.587 1.00 0.00 C ATOM 71 CE LYS A 5 -3.362 -0.304 -6.212 1.00 0.00 C ATOM 72 NZ LYS A 5 -2.345 0.676 -5.768 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -5.437 -3.707 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.537 -2.835 -9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.821 -1.901 -10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.988 -1.700 -7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.861 -2.797 -7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.004 -1.184 -7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.161 -0.080 -8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.342 0.173 -6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.418 -1.120 -5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.597 1.035 -4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.414 0.215 -5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.309 1.468 -6.441 1.00 0.00 H new ATOM 86 N LEU A 6 -3.103 -5.368 -11.038 1.00 0.00 N ATOM 87 CA LEU A 6 -2.659 -5.937 -12.303 1.00 0.00 C ATOM 88 C LEU A 6 -3.778 -6.799 -12.857 1.00 0.00 C ATOM 89 O LEU A 6 -4.193 -6.648 -14.008 1.00 0.00 O ATOM 90 CB LEU A 6 -1.388 -6.775 -12.112 1.00 0.00 C ATOM 91 CG LEU A 6 -0.775 -7.363 -13.387 1.00 0.00 C ATOM 92 CD1 LEU A 6 -0.239 -6.260 -14.283 1.00 0.00 C ATOM 93 CD2 LEU A 6 0.326 -8.349 -13.043 1.00 0.00 C ATOM 0 H LEU A 6 -2.637 -5.754 -10.217 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.421 -5.134 -13.000 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.637 -6.154 -11.624 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.616 -7.595 -11.430 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.558 -7.894 -13.928 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.192 -6.699 -15.183 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.052 -5.589 -14.560 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.528 -5.699 -13.750 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.750 -8.756 -13.961 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.107 -7.840 -12.478 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.086 -9.160 -12.443 1.00 0.00 H new ATOM 105 N ARG A 7 -4.260 -7.698 -12.014 1.00 0.00 N ATOM 106 CA ARG A 7 -5.381 -8.563 -12.341 1.00 0.00 C ATOM 107 C ARG A 7 -6.649 -7.747 -12.578 1.00 0.00 C ATOM 108 O ARG A 7 -7.390 -7.995 -13.528 1.00 0.00 O ATOM 109 CB ARG A 7 -5.613 -9.563 -11.201 1.00 0.00 C ATOM 110 CG ARG A 7 -6.871 -10.403 -11.356 1.00 0.00 C ATOM 111 CD ARG A 7 -6.782 -11.320 -12.558 1.00 0.00 C ATOM 112 NE ARG A 7 -8.026 -12.044 -12.785 1.00 0.00 N ATOM 113 CZ ARG A 7 -8.129 -13.374 -12.825 1.00 0.00 C ATOM 114 NH1 ARG A 7 -7.059 -14.139 -12.623 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -9.301 -13.941 -13.056 1.00 0.00 N ATOM 0 H ARG A 7 -3.882 -7.849 -11.079 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.143 -9.102 -13.258 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.752 -10.228 -11.135 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.668 -9.017 -10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.027 -10.997 -10.455 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.736 -9.748 -11.460 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.537 -10.734 -13.444 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.970 -12.032 -12.412 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.876 -11.497 -12.923 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.153 -13.709 -12.436 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.145 -15.155 -12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.127 -13.362 -13.204 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.379 -14.958 -13.086 1.00 0.00 H new ATOM 129 N GLN A 8 -6.872 -6.768 -11.720 1.00 0.00 N ATOM 130 CA GLN A 8 -8.065 -5.941 -11.782 1.00 0.00 C ATOM 131 C GLN A 8 -8.148 -5.196 -13.117 1.00 0.00 C ATOM 132 O GLN A 8 -9.200 -5.189 -13.751 1.00 0.00 O ATOM 133 CB GLN A 8 -8.074 -4.966 -10.590 1.00 0.00 C ATOM 134 CG GLN A 8 -9.420 -4.314 -10.285 1.00 0.00 C ATOM 135 CD GLN A 8 -9.756 -3.168 -11.214 1.00 0.00 C ATOM 136 OE1 GLN A 8 -8.868 -2.479 -11.723 1.00 0.00 O ATOM 137 NE2 GLN A 8 -11.031 -2.943 -11.425 1.00 0.00 N ATOM 0 H GLN A 8 -6.234 -6.524 -10.963 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.947 -6.579 -11.718 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.740 -5.502 -9.702 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.344 -4.180 -10.781 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.204 -5.068 -10.352 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.415 -3.950 -9.258 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.733 -3.537 -10.984 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.320 -2.174 -12.030 1.00 0.00 H new ATOM 146 N THR A 9 -7.038 -4.612 -13.569 1.00 0.00 N ATOM 147 CA THR A 9 -7.032 -3.902 -14.843 1.00 0.00 C ATOM 148 C THR A 9 -7.142 -4.877 -16.012 1.00 0.00 C ATOM 149 O THR A 9 -7.579 -4.511 -17.104 1.00 0.00 O ATOM 150 CB THR A 9 -5.763 -3.041 -15.007 1.00 0.00 C ATOM 151 OG1 THR A 9 -4.598 -3.820 -14.690 1.00 0.00 O ATOM 152 CG2 THR A 9 -5.822 -1.815 -14.106 1.00 0.00 C ATOM 0 H THR A 9 -6.144 -4.617 -13.078 1.00 0.00 H new ATOM 0 HA THR A 9 -7.900 -3.243 -14.844 1.00 0.00 H new ATOM 0 HB THR A 9 -5.706 -2.708 -16.043 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.507 -3.891 -13.717 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.917 -1.222 -14.238 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.692 -1.212 -14.368 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.900 -2.131 -13.066 1.00 0.00 H new ATOM 160 N GLY A 10 -6.757 -6.123 -15.768 1.00 0.00 N ATOM 161 CA GLY A 10 -6.853 -7.138 -16.789 1.00 0.00 C ATOM 162 C GLY A 10 -8.294 -7.516 -17.018 1.00 0.00 C ATOM 163 O GLY A 10 -8.767 -7.542 -18.154 1.00 0.00 O ATOM 0 H GLY A 10 -6.379 -6.446 -14.877 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.414 -6.772 -17.717 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.282 -8.018 -16.492 1.00 0.00 H new ATOM 167 N ASP A 11 -8.993 -7.799 -15.925 1.00 0.00 N ATOM 168 CA ASP A 11 -10.417 -8.103 -15.974 1.00 0.00 C ATOM 169 C ASP A 11 -11.215 -6.964 -16.597 1.00 0.00 C ATOM 170 O ASP A 11 -12.140 -7.206 -17.378 1.00 0.00 O ATOM 171 CB ASP A 11 -10.964 -8.443 -14.579 1.00 0.00 C ATOM 172 CG ASP A 11 -10.736 -9.890 -14.185 1.00 0.00 C ATOM 173 OD1 ASP A 11 -11.454 -10.777 -14.715 1.00 0.00 O ATOM 174 OD2 ASP A 11 -9.871 -10.154 -13.329 1.00 0.00 O1- ATOM 0 H ASP A 11 -8.592 -7.824 -14.987 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.534 -8.980 -16.610 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.491 -7.794 -13.842 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.033 -8.230 -14.553 1.00 0.00 H new ATOM 179 N GLU A 12 -10.850 -5.725 -16.261 1.00 0.00 N ATOM 180 CA GLU A 12 -11.529 -4.552 -16.818 1.00 0.00 C ATOM 181 C GLU A 12 -11.322 -4.472 -18.323 1.00 0.00 C ATOM 182 O GLU A 12 -12.255 -4.183 -19.072 1.00 0.00 O ATOM 183 CB GLU A 12 -11.038 -3.260 -16.159 1.00 0.00 C ATOM 184 CG GLU A 12 -11.294 -3.190 -14.667 1.00 0.00 C ATOM 185 CD GLU A 12 -12.739 -3.444 -14.306 1.00 0.00 C ATOM 186 OE1 GLU A 12 -13.548 -2.497 -14.365 1.00 0.00 O ATOM 187 OE2 GLU A 12 -13.072 -4.590 -13.952 1.00 0.00 O1- ATOM 0 H GLU A 12 -10.094 -5.508 -15.611 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.593 -4.663 -16.611 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.968 -3.157 -16.338 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.525 -2.412 -16.640 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.664 -3.922 -14.161 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.000 -2.207 -14.299 1.00 0.00 H new ATOM 194 N LEU A 13 -10.096 -4.736 -18.764 1.00 0.00 N ATOM 195 CA LEU A 13 -9.769 -4.713 -20.183 1.00 0.00 C ATOM 196 C LEU A 13 -10.607 -5.752 -20.931 1.00 0.00 C ATOM 197 O LEU A 13 -11.129 -5.475 -22.011 1.00 0.00 O ATOM 198 CB LEU A 13 -8.250 -4.973 -20.367 1.00 0.00 C ATOM 199 CG LEU A 13 -7.654 -4.772 -21.780 1.00 0.00 C ATOM 200 CD1 LEU A 13 -8.025 -5.911 -22.717 1.00 0.00 C ATOM 201 CD2 LEU A 13 -8.091 -3.436 -22.363 1.00 0.00 C ATOM 0 H LEU A 13 -9.311 -4.969 -18.156 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.004 -3.734 -20.600 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.712 -4.320 -19.680 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.045 -5.998 -20.059 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.569 -4.771 -21.679 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.587 -5.732 -23.699 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.645 -6.851 -22.316 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.110 -5.968 -22.809 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.661 -3.315 -23.357 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.178 -3.407 -22.432 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.747 -2.628 -21.718 1.00 0.00 H new ATOM 213 N VAL A 14 -10.750 -6.936 -20.340 1.00 0.00 N ATOM 214 CA VAL A 14 -11.563 -7.992 -20.939 1.00 0.00 C ATOM 215 C VAL A 14 -13.013 -7.524 -21.077 1.00 0.00 C ATOM 216 O VAL A 14 -13.655 -7.748 -22.099 1.00 0.00 O ATOM 217 CB VAL A 14 -11.513 -9.299 -20.104 1.00 0.00 C ATOM 218 CG1 VAL A 14 -12.400 -10.375 -20.722 1.00 0.00 C ATOM 219 CG2 VAL A 14 -10.081 -9.800 -19.979 1.00 0.00 C ATOM 0 H VAL A 14 -10.316 -7.188 -19.452 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.150 -8.206 -21.925 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.892 -9.076 -19.106 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.347 -11.281 -20.118 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.430 -10.021 -20.757 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.057 -10.593 -21.733 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.067 -10.717 -19.390 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.677 -10.000 -20.972 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.472 -9.042 -19.486 1.00 0.00 H new ATOM 229 N GLN A 15 -13.512 -6.862 -20.040 1.00 0.00 N ATOM 230 CA GLN A 15 -14.869 -6.320 -20.052 1.00 0.00 C ATOM 231 C GLN A 15 -15.046 -5.295 -21.173 1.00 0.00 C ATOM 232 O GLN A 15 -16.053 -5.308 -21.879 1.00 0.00 O ATOM 233 CB GLN A 15 -15.208 -5.695 -18.705 1.00 0.00 C ATOM 234 CG GLN A 15 -15.382 -6.711 -17.591 1.00 0.00 C ATOM 235 CD GLN A 15 -15.520 -6.059 -16.233 1.00 0.00 C ATOM 236 OE1 GLN A 15 -16.006 -4.933 -16.118 1.00 0.00 O ATOM 237 NE2 GLN A 15 -15.103 -6.759 -15.200 1.00 0.00 N ATOM 0 H GLN A 15 -12.997 -6.686 -19.177 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.556 -7.146 -20.238 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.418 -4.997 -18.429 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.126 -5.115 -18.803 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -16.265 -7.318 -17.791 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.526 -7.386 -17.582 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.707 -7.688 -15.340 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.176 -6.372 -14.259 1.00 0.00 H new ATOM 246 N ALA A 16 -14.060 -4.416 -21.340 1.00 0.00 N ATOM 247 CA ALA A 16 -14.098 -3.417 -22.405 1.00 0.00 C ATOM 248 C ALA A 16 -14.069 -4.095 -23.769 1.00 0.00 C ATOM 249 O ALA A 16 -14.726 -3.655 -24.707 1.00 0.00 O ATOM 250 CB ALA A 16 -12.932 -2.451 -22.266 1.00 0.00 C ATOM 0 H ALA A 16 -13.227 -4.375 -20.753 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.026 -2.852 -22.319 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.974 -1.713 -23.067 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.991 -1.945 -21.302 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.994 -3.002 -22.329 1.00 0.00 H new ATOM 256 N PHE A 17 -13.317 -5.183 -23.856 1.00 0.00 N ATOM 257 CA PHE A 17 -13.216 -5.956 -25.085 1.00 0.00 C ATOM 258 C PHE A 17 -14.553 -6.626 -25.392 1.00 0.00 C ATOM 259 O PHE A 17 -14.982 -6.696 -26.547 1.00 0.00 O ATOM 260 CB PHE A 17 -12.101 -7.007 -24.973 1.00 0.00 C ATOM 261 CG PHE A 17 -11.942 -7.861 -26.204 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.327 -7.357 -27.339 1.00 0.00 C ATOM 263 CD2 PHE A 17 -12.405 -9.169 -26.223 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.179 -8.138 -28.468 1.00 0.00 C ATOM 265 CE2 PHE A 17 -12.259 -9.955 -27.351 1.00 0.00 C ATOM 266 CZ PHE A 17 -11.646 -9.438 -28.474 1.00 0.00 C ATOM 0 H PHE A 17 -12.764 -5.552 -23.083 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.965 -5.280 -25.903 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.157 -6.501 -24.769 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.308 -7.652 -24.119 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.959 -6.342 -27.340 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.885 -9.578 -25.346 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.698 -7.733 -29.346 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.624 -10.971 -27.353 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.531 -10.049 -29.357 1.00 0.00 H new ATOM 276 N GLN A 18 -15.214 -7.099 -24.346 1.00 0.00 N ATOM 277 CA GLN A 18 -16.487 -7.760 -24.478 1.00 0.00 C ATOM 278 C GLN A 18 -17.553 -6.755 -24.910 1.00 0.00 C ATOM 279 O GLN A 18 -18.419 -7.058 -25.733 1.00 0.00 O ATOM 280 CB GLN A 18 -16.872 -8.395 -23.149 1.00 0.00 C ATOM 281 CG GLN A 18 -17.874 -9.509 -23.280 1.00 0.00 C ATOM 282 CD GLN A 18 -17.336 -10.654 -24.110 1.00 0.00 C ATOM 283 OE1 GLN A 18 -17.501 -10.687 -25.329 1.00 0.00 O ATOM 284 NE2 GLN A 18 -16.688 -11.593 -23.458 1.00 0.00 N ATOM 0 H GLN A 18 -14.876 -7.031 -23.386 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.412 -8.539 -25.237 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.974 -8.781 -22.667 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.280 -7.626 -22.493 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.144 -9.874 -22.289 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.786 -9.126 -23.737 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.574 -11.526 -22.447 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.299 -12.389 -23.963 1.00 0.00 H new ATOM 293 N ARG A 19 -17.459 -5.545 -24.369 1.00 0.00 N ATOM 294 CA ARG A 19 -18.380 -4.470 -24.705 1.00 0.00 C ATOM 295 C ARG A 19 -18.116 -4.030 -26.139 1.00 0.00 C ATOM 296 O ARG A 19 -19.032 -3.695 -26.881 1.00 0.00 O ATOM 297 CB ARG A 19 -18.156 -3.290 -23.751 1.00 0.00 C ATOM 298 CG ARG A 19 -19.173 -2.156 -23.866 1.00 0.00 C ATOM 299 CD ARG A 19 -20.454 -2.456 -23.095 1.00 0.00 C ATOM 300 NE ARG A 19 -21.524 -2.999 -23.941 1.00 0.00 N ATOM 301 CZ ARG A 19 -22.657 -3.532 -23.457 1.00 0.00 C ATOM 302 NH1 ARG A 19 -22.824 -3.680 -22.147 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -23.619 -3.917 -24.279 1.00 0.00 N ATOM 0 H ARG A 19 -16.745 -5.285 -23.689 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.409 -4.815 -24.609 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -18.168 -3.664 -22.727 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -17.161 -2.883 -23.930 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -18.731 -1.233 -23.490 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -19.413 -1.989 -24.916 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -20.233 -3.167 -22.299 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -20.806 -1.541 -22.618 1.00 0.00 H new ATOM 0 HE ARG A 19 -21.400 -2.970 -24.953 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -22.089 -3.388 -21.503 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -23.687 -4.086 -21.786 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -23.502 -3.810 -25.287 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -24.478 -4.321 -23.905 1.00 0.00 H new ATOM 317 N LEU A 20 -16.839 -4.074 -26.512 1.00 0.00 N ATOM 318 CA LEU A 20 -16.385 -3.682 -27.841 1.00 0.00 C ATOM 319 C LEU A 20 -17.052 -4.541 -28.903 1.00 0.00 C ATOM 320 O LEU A 20 -17.500 -4.038 -29.927 1.00 0.00 O ATOM 321 CB LEU A 20 -14.864 -3.834 -27.945 1.00 0.00 C ATOM 322 CG LEU A 20 -14.240 -3.422 -29.280 1.00 0.00 C ATOM 323 CD1 LEU A 20 -14.291 -1.915 -29.451 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.811 -3.933 -29.385 1.00 0.00 C ATOM 0 H LEU A 20 -16.087 -4.384 -25.896 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.656 -2.639 -28.003 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.404 -3.242 -27.153 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.609 -4.876 -27.753 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.820 -3.874 -30.085 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.843 -1.642 -30.406 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.328 -1.581 -29.428 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.739 -1.438 -28.641 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.385 -3.629 -30.341 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.215 -3.516 -28.574 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.808 -5.021 -29.315 1.00 0.00 H new ATOM 336 N ARG A 21 -17.139 -5.837 -28.637 1.00 0.00 N ATOM 337 CA ARG A 21 -17.754 -6.760 -29.574 1.00 0.00 C ATOM 338 C ARG A 21 -19.237 -6.510 -29.689 1.00 0.00 C ATOM 339 O ARG A 21 -19.810 -6.610 -30.768 1.00 0.00 O ATOM 340 CB ARG A 21 -17.497 -8.211 -29.185 1.00 0.00 C ATOM 341 CG ARG A 21 -16.151 -8.739 -29.631 1.00 0.00 C ATOM 342 CD ARG A 21 -15.943 -8.545 -31.132 1.00 0.00 C ATOM 343 NE ARG A 21 -17.082 -9.029 -31.936 1.00 0.00 N ATOM 344 CZ ARG A 21 -17.044 -10.105 -32.726 1.00 0.00 C ATOM 345 NH1 ARG A 21 -15.958 -10.884 -32.753 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -18.101 -10.407 -33.470 1.00 0.00 N ATOM 0 H ARG A 21 -16.792 -6.270 -27.781 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.293 -6.582 -30.546 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -17.572 -8.305 -28.102 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.281 -8.836 -29.614 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.359 -8.228 -29.084 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.075 -9.798 -29.386 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.783 -7.487 -31.338 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.038 -9.070 -31.439 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.957 -8.507 -31.885 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.153 -10.658 -32.168 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.934 -11.705 -33.358 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -18.934 -9.819 -33.436 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.080 -11.227 -34.076 1.00 0.00 H new ATOM 360 N GLU A 22 -19.847 -6.142 -28.581 1.00 0.00 N ATOM 361 CA GLU A 22 -21.264 -5.917 -28.528 1.00 0.00 C ATOM 362 C GLU A 22 -21.613 -4.670 -29.340 1.00 0.00 C ATOM 363 O GLU A 22 -22.615 -4.637 -30.048 1.00 0.00 O ATOM 364 CB GLU A 22 -21.667 -5.751 -27.060 1.00 0.00 C ATOM 365 CG GLU A 22 -23.125 -6.024 -26.747 1.00 0.00 C ATOM 366 CD GLU A 22 -24.060 -4.969 -27.279 1.00 0.00 C ATOM 367 OE1 GLU A 22 -23.929 -3.794 -26.873 1.00 0.00 O ATOM 368 OE2 GLU A 22 -24.933 -5.308 -28.092 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.367 -5.992 -27.694 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.808 -6.759 -28.956 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.053 -6.418 -26.455 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -21.432 -4.733 -26.750 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -23.404 -6.991 -27.166 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -23.249 -6.097 -25.667 1.00 0.00 H new ATOM 375 N ILE A 23 -20.740 -3.674 -29.278 1.00 0.00 N ATOM 376 CA ILE A 23 -20.943 -2.413 -29.972 1.00 0.00 C ATOM 377 C ILE A 23 -20.656 -2.593 -31.461 1.00 0.00 C ATOM 378 O ILE A 23 -21.338 -2.031 -32.325 1.00 0.00 O ATOM 379 CB ILE A 23 -20.019 -1.315 -29.388 1.00 0.00 C ATOM 380 CG1 ILE A 23 -20.329 -1.105 -27.903 1.00 0.00 C ATOM 381 CG2 ILE A 23 -20.168 -0.009 -30.155 1.00 0.00 C ATOM 382 CD1 ILE A 23 -19.414 -0.118 -27.220 1.00 0.00 C ATOM 0 H ILE A 23 -19.872 -3.719 -28.745 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.979 -2.103 -29.837 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.985 -1.645 -29.490 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -21.358 -0.761 -27.802 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.262 -2.064 -27.389 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -19.508 0.744 -29.724 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -19.902 -0.168 -31.200 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -21.201 0.334 -30.091 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.698 -0.024 -26.172 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.384 -0.469 -27.287 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -19.498 0.854 -27.707 1.00 0.00 H new ATOM 394 N PHE A 24 -19.661 -3.425 -31.738 1.00 0.00 N ATOM 395 CA PHE A 24 -19.194 -3.654 -33.093 1.00 0.00 C ATOM 396 C PHE A 24 -20.242 -4.410 -33.886 1.00 0.00 C ATOM 397 O PHE A 24 -20.574 -4.040 -35.011 1.00 0.00 O ATOM 398 CB PHE A 24 -17.876 -4.432 -33.097 1.00 0.00 C ATOM 399 CG PHE A 24 -17.318 -4.643 -34.476 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.530 -3.675 -35.066 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.592 -5.805 -35.185 1.00 0.00 C ATOM 402 CE1 PHE A 24 -16.022 -3.855 -36.333 1.00 0.00 C ATOM 403 CE2 PHE A 24 -17.085 -5.992 -36.454 1.00 0.00 C ATOM 404 CZ PHE A 24 -16.300 -5.015 -37.030 1.00 0.00 C ATOM 0 H PHE A 24 -19.157 -3.958 -31.029 1.00 0.00 H new ATOM 0 HA PHE A 24 -19.021 -2.684 -33.559 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.143 -3.896 -32.494 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.032 -5.401 -32.623 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -16.309 -2.765 -34.527 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.209 -6.571 -34.738 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -15.406 -3.090 -36.782 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.302 -6.901 -36.995 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.903 -5.157 -38.024 1.00 0.00 H new ATOM 414 N ASP A 25 -20.775 -5.456 -33.272 1.00 0.00 N ATOM 415 CA ASP A 25 -21.779 -6.311 -33.900 1.00 0.00 C ATOM 416 C ASP A 25 -23.045 -5.528 -34.241 1.00 0.00 C ATOM 417 O ASP A 25 -23.806 -5.918 -35.121 1.00 0.00 O ATOM 418 CB ASP A 25 -22.137 -7.482 -32.966 1.00 0.00 C ATOM 419 CG ASP A 25 -21.040 -8.536 -32.834 1.00 0.00 C ATOM 420 OD1 ASP A 25 -19.902 -8.312 -33.313 1.00 0.00 O ATOM 421 OD2 ASP A 25 -21.314 -9.597 -32.235 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.526 -5.738 -32.324 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.353 -6.696 -34.826 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.366 -7.086 -31.977 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.044 -7.962 -33.335 1.00 0.00 H new ATOM 426 N LYS A 26 -23.261 -4.416 -33.551 1.00 0.00 N ATOM 427 CA LYS A 26 -24.441 -3.590 -33.787 1.00 0.00 C ATOM 428 C LYS A 26 -24.171 -2.495 -34.816 1.00 0.00 C ATOM 429 O LYS A 26 -25.047 -1.672 -35.095 1.00 0.00 O ATOM 430 CB LYS A 26 -24.934 -2.967 -32.487 1.00 0.00 C ATOM 431 CG LYS A 26 -25.376 -3.984 -31.457 1.00 0.00 C ATOM 432 CD LYS A 26 -25.930 -3.318 -30.210 1.00 0.00 C ATOM 433 CE LYS A 26 -24.942 -2.330 -29.616 1.00 0.00 C ATOM 434 NZ LYS A 26 -25.294 -1.965 -28.227 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.637 -4.064 -32.825 1.00 0.00 H new ATOM 0 HA LYS A 26 -25.215 -4.245 -34.186 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -24.138 -2.355 -32.063 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.767 -2.299 -32.707 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -26.136 -4.634 -31.890 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.532 -4.618 -31.186 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -26.858 -2.802 -30.455 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -26.174 -4.079 -29.469 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -23.941 -2.761 -29.635 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -24.913 -1.431 -30.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -25.225 -0.934 -28.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -26.266 -2.272 -28.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -24.638 -2.432 -27.569 1.00 0.00 H new ATOM 448 N GLY A 27 -22.971 -2.494 -35.386 1.00 0.00 N ATOM 449 CA GLY A 27 -22.616 -1.494 -36.377 1.00 0.00 C ATOM 450 C GLY A 27 -22.570 -0.084 -35.815 1.00 0.00 C ATOM 451 O GLY A 27 -22.825 0.884 -36.537 1.00 0.00 O ATOM 0 H GLY A 27 -22.236 -3.170 -35.179 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.643 -1.741 -36.800 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -23.337 -1.529 -37.194 1.00 0.00 H new ATOM 455 N ASP A 28 -22.272 0.037 -34.532 1.00 0.00 N ATOM 456 CA ASP A 28 -22.194 1.346 -33.897 1.00 0.00 C ATOM 457 C ASP A 28 -20.801 1.941 -34.068 1.00 0.00 C ATOM 458 O ASP A 28 -19.852 1.550 -33.391 1.00 0.00 O ATOM 459 CB ASP A 28 -22.582 1.288 -32.427 1.00 0.00 C ATOM 460 CG ASP A 28 -22.827 2.671 -31.857 1.00 0.00 C ATOM 461 OD1 ASP A 28 -21.874 3.455 -31.749 1.00 0.00 O ATOM 462 OD2 ASP A 28 -23.997 2.979 -31.527 1.00 0.00 O1- ATOM 0 H ASP A 28 -22.081 -0.749 -33.911 1.00 0.00 H new ATOM 0 HA ASP A 28 -22.914 1.996 -34.394 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -23.481 0.682 -32.311 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -21.791 0.796 -31.861 1.00 0.00 H new ATOM 467 N ASP A 29 -20.700 2.866 -34.997 1.00 0.00 N ATOM 468 CA ASP A 29 -19.418 3.485 -35.343 1.00 0.00 C ATOM 469 C ASP A 29 -18.993 4.499 -34.293 1.00 0.00 C ATOM 470 O ASP A 29 -17.827 4.555 -33.890 1.00 0.00 O ATOM 471 CB ASP A 29 -19.478 4.167 -36.707 1.00 0.00 C ATOM 472 CG ASP A 29 -19.491 3.195 -37.861 1.00 0.00 C ATOM 473 OD1 ASP A 29 -20.555 3.034 -38.501 1.00 0.00 O ATOM 474 OD2 ASP A 29 -18.432 2.595 -38.150 1.00 0.00 O1- ATOM 0 H ASP A 29 -21.492 3.215 -35.536 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.681 2.683 -35.381 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -20.372 4.789 -36.755 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.621 4.832 -36.811 1.00 0.00 H new ATOM 479 N ASP A 30 -19.958 5.286 -33.848 1.00 0.00 N ATOM 480 CA ASP A 30 -19.711 6.388 -32.922 1.00 0.00 C ATOM 481 C ASP A 30 -19.170 5.926 -31.582 1.00 0.00 C ATOM 482 O ASP A 30 -18.191 6.485 -31.075 1.00 0.00 O ATOM 483 CB ASP A 30 -20.975 7.223 -32.727 1.00 0.00 C ATOM 484 CG ASP A 30 -21.353 7.985 -33.977 1.00 0.00 C ATOM 485 OD1 ASP A 30 -22.339 7.595 -34.645 1.00 0.00 O ATOM 486 OD2 ASP A 30 -20.661 8.970 -34.312 1.00 0.00 O1- ATOM 0 H ASP A 30 -20.937 5.182 -34.116 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.938 7.007 -33.377 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.799 6.570 -32.438 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.822 7.925 -31.907 1.00 0.00 H new ATOM 491 N SER A 31 -19.787 4.919 -31.000 1.00 0.00 N ATOM 492 CA SER A 31 -19.351 4.418 -29.720 1.00 0.00 C ATOM 493 C SER A 31 -18.054 3.642 -29.874 1.00 0.00 C ATOM 494 O SER A 31 -17.221 3.631 -28.970 1.00 0.00 O ATOM 495 CB SER A 31 -20.434 3.541 -29.092 1.00 0.00 C ATOM 496 OG SER A 31 -20.117 3.206 -27.746 1.00 0.00 O ATOM 0 H SER A 31 -20.592 4.433 -31.396 1.00 0.00 H new ATOM 0 HA SER A 31 -19.171 5.264 -29.057 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.390 4.064 -29.123 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.550 2.629 -29.678 1.00 0.00 H new ATOM 0 HG SER A 31 -20.829 2.646 -27.372 1.00 0.00 H new ATOM 502 N LEU A 32 -17.883 3.006 -31.030 1.00 0.00 N ATOM 503 CA LEU A 32 -16.688 2.223 -31.312 1.00 0.00 C ATOM 504 C LEU A 32 -15.440 3.099 -31.226 1.00 0.00 C ATOM 505 O LEU A 32 -14.476 2.734 -30.560 1.00 0.00 O ATOM 506 CB LEU A 32 -16.800 1.613 -32.716 1.00 0.00 C ATOM 507 CG LEU A 32 -15.642 0.725 -33.175 1.00 0.00 C ATOM 508 CD1 LEU A 32 -15.585 -0.549 -32.355 1.00 0.00 C ATOM 509 CD2 LEU A 32 -15.775 0.405 -34.655 1.00 0.00 C ATOM 0 H LEU A 32 -18.563 3.019 -31.790 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.603 1.428 -30.571 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.717 1.025 -32.759 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.909 2.427 -33.433 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.710 1.268 -33.022 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.754 -1.166 -32.698 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.441 -0.299 -31.304 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.518 -1.099 -32.473 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.944 -0.227 -34.967 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.715 -0.118 -34.831 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.762 1.331 -35.230 1.00 0.00 H new ATOM 521 N GLU A 33 -15.475 4.262 -31.873 1.00 0.00 N ATOM 522 CA GLU A 33 -14.354 5.204 -31.827 1.00 0.00 C ATOM 523 C GLU A 33 -14.041 5.615 -30.382 1.00 0.00 C ATOM 524 O GLU A 33 -12.886 5.587 -29.952 1.00 0.00 O ATOM 525 CB GLU A 33 -14.696 6.443 -32.674 1.00 0.00 C ATOM 526 CG GLU A 33 -13.664 7.565 -32.622 1.00 0.00 C ATOM 527 CD GLU A 33 -12.320 7.172 -33.197 1.00 0.00 C ATOM 528 OE1 GLU A 33 -12.189 7.116 -34.432 1.00 0.00 O ATOM 529 OE2 GLU A 33 -11.379 6.948 -32.416 1.00 0.00 O1- ATOM 0 H GLU A 33 -16.266 4.576 -32.435 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.468 4.718 -32.234 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.820 6.132 -33.711 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.656 6.838 -32.342 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.047 8.427 -33.169 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.530 7.878 -31.587 1.00 0.00 H new ATOM 536 N GLN A 34 -15.080 5.965 -29.636 1.00 0.00 N ATOM 537 CA GLN A 34 -14.926 6.374 -28.241 1.00 0.00 C ATOM 538 C GLN A 34 -14.318 5.253 -27.387 1.00 0.00 C ATOM 539 O GLN A 34 -13.378 5.482 -26.620 1.00 0.00 O ATOM 540 CB GLN A 34 -16.282 6.808 -27.663 1.00 0.00 C ATOM 541 CG GLN A 34 -16.253 7.086 -26.166 1.00 0.00 C ATOM 542 CD GLN A 34 -15.286 8.190 -25.787 1.00 0.00 C ATOM 543 OE1 GLN A 34 -15.076 9.143 -26.543 1.00 0.00 O ATOM 544 NE2 GLN A 34 -14.668 8.051 -24.633 1.00 0.00 N ATOM 0 H GLN A 34 -16.043 5.975 -29.972 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.239 7.220 -28.216 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -16.617 7.705 -28.183 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -17.018 6.029 -27.864 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -17.255 7.358 -25.833 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.978 6.173 -25.638 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.872 7.247 -24.039 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.985 8.747 -24.333 1.00 0.00 H new ATOM 553 N VAL A 35 -14.836 4.046 -27.547 1.00 0.00 N ATOM 554 CA VAL A 35 -14.373 2.894 -26.781 1.00 0.00 C ATOM 555 C VAL A 35 -12.930 2.522 -27.125 1.00 0.00 C ATOM 556 O VAL A 35 -12.173 2.103 -26.250 1.00 0.00 O ATOM 557 CB VAL A 35 -15.313 1.673 -26.978 1.00 0.00 C ATOM 558 CG1 VAL A 35 -14.729 0.413 -26.362 1.00 0.00 C ATOM 559 CG2 VAL A 35 -16.669 1.961 -26.368 1.00 0.00 C ATOM 0 H VAL A 35 -15.585 3.835 -28.207 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.398 3.181 -25.730 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.421 1.505 -28.050 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.414 -0.420 -26.519 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.771 0.189 -26.831 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.582 0.565 -25.293 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.322 1.100 -26.510 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.554 2.157 -25.302 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.108 2.833 -26.852 1.00 0.00 H new ATOM 569 N LEU A 36 -12.539 2.706 -28.384 1.00 0.00 N ATOM 570 CA LEU A 36 -11.187 2.354 -28.816 1.00 0.00 C ATOM 571 C LEU A 36 -10.141 3.121 -28.023 1.00 0.00 C ATOM 572 O LEU A 36 -9.165 2.536 -27.554 1.00 0.00 O ATOM 573 CB LEU A 36 -11.004 2.623 -30.313 1.00 0.00 C ATOM 574 CG LEU A 36 -11.807 1.728 -31.258 1.00 0.00 C ATOM 575 CD1 LEU A 36 -11.665 2.204 -32.691 1.00 0.00 C ATOM 576 CD2 LEU A 36 -11.362 0.281 -31.133 1.00 0.00 C ATOM 0 H LEU A 36 -13.132 3.093 -29.118 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.052 1.288 -28.631 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.273 3.661 -30.511 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.946 2.516 -30.555 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.858 1.790 -30.976 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.243 1.555 -33.349 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.035 3.226 -32.773 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.615 2.173 -32.982 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.945 -0.339 -31.813 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.305 0.202 -31.386 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.516 -0.060 -30.109 1.00 0.00 H new ATOM 588 N GLU A 37 -10.368 4.414 -27.822 1.00 0.00 N ATOM 589 CA GLU A 37 -9.421 5.228 -27.075 1.00 0.00 C ATOM 590 C GLU A 37 -9.383 4.811 -25.613 1.00 0.00 C ATOM 591 O GLU A 37 -8.329 4.853 -24.972 1.00 0.00 O ATOM 592 CB GLU A 37 -9.752 6.712 -27.179 1.00 0.00 C ATOM 593 CG GLU A 37 -9.437 7.325 -28.529 1.00 0.00 C ATOM 594 CD GLU A 37 -9.384 8.830 -28.461 1.00 0.00 C ATOM 595 OE1 GLU A 37 -10.288 9.495 -28.997 1.00 0.00 O ATOM 596 OE2 GLU A 37 -8.439 9.364 -27.840 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.189 4.915 -28.162 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.438 5.065 -27.518 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.812 6.852 -26.967 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.199 7.251 -26.410 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.481 6.943 -28.887 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.193 7.020 -29.252 1.00 0.00 H new ATOM 603 N GLU A 38 -10.534 4.410 -25.089 1.00 0.00 N ATOM 604 CA GLU A 38 -10.633 3.968 -23.710 1.00 0.00 C ATOM 605 C GLU A 38 -9.929 2.627 -23.511 1.00 0.00 C ATOM 606 O GLU A 38 -9.212 2.436 -22.533 1.00 0.00 O ATOM 607 CB GLU A 38 -12.095 3.894 -23.277 1.00 0.00 C ATOM 608 CG GLU A 38 -12.740 5.261 -23.104 1.00 0.00 C ATOM 609 CD GLU A 38 -14.144 5.183 -22.558 1.00 0.00 C ATOM 610 OE1 GLU A 38 -15.080 5.662 -23.233 1.00 0.00 O ATOM 611 OE2 GLU A 38 -14.325 4.645 -21.443 1.00 0.00 O1- ATOM 0 H GLU A 38 -11.414 4.383 -25.604 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.129 4.700 -23.079 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.658 3.325 -24.017 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.161 3.347 -22.337 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.128 5.864 -22.433 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.758 5.773 -24.066 1.00 0.00 H new ATOM 618 N ILE A 39 -10.133 1.709 -24.451 1.00 0.00 N ATOM 619 CA ILE A 39 -9.478 0.403 -24.393 1.00 0.00 C ATOM 620 C ILE A 39 -7.968 0.579 -24.405 1.00 0.00 C ATOM 621 O ILE A 39 -7.259 0.002 -23.578 1.00 0.00 O ATOM 622 CB ILE A 39 -9.900 -0.520 -25.562 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.382 -0.871 -25.453 1.00 0.00 C ATOM 624 CG2 ILE A 39 -9.052 -1.792 -25.579 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.877 -1.772 -26.558 1.00 0.00 C ATOM 0 H ILE A 39 -10.742 1.842 -25.258 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.793 -0.074 -23.465 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.736 0.014 -26.498 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.561 -1.356 -24.493 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.965 0.050 -25.459 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.365 -2.427 -26.408 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.002 -1.527 -25.701 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.184 -2.330 -24.640 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.938 -1.977 -26.413 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.731 -1.282 -27.520 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.321 -2.709 -26.540 1.00 0.00 H new ATOM 637 N GLU A 40 -7.486 1.400 -25.331 1.00 0.00 N ATOM 638 CA GLU A 40 -6.065 1.700 -25.427 1.00 0.00 C ATOM 639 C GLU A 40 -5.546 2.306 -24.125 1.00 0.00 C ATOM 640 O GLU A 40 -4.433 2.011 -23.695 1.00 0.00 O ATOM 641 CB GLU A 40 -5.803 2.656 -26.583 1.00 0.00 C ATOM 642 CG GLU A 40 -6.136 2.082 -27.947 1.00 0.00 C ATOM 643 CD GLU A 40 -5.852 3.056 -29.063 1.00 0.00 C ATOM 644 OE1 GLU A 40 -4.660 3.270 -29.372 1.00 0.00 O ATOM 645 OE2 GLU A 40 -6.805 3.618 -29.632 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.063 1.871 -26.028 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.535 0.765 -25.609 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.387 3.563 -26.430 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.753 2.947 -26.569 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.558 1.172 -28.107 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.189 1.800 -27.973 1.00 0.00 H new ATOM 652 N GLU A 41 -6.369 3.132 -23.494 1.00 0.00 N ATOM 653 CA GLU A 41 -6.008 3.768 -22.256 1.00 0.00 C ATOM 654 C GLU A 41 -5.930 2.736 -21.127 1.00 0.00 C ATOM 655 O GLU A 41 -5.068 2.821 -20.252 1.00 0.00 O ATOM 656 CB GLU A 41 -7.033 4.841 -21.918 1.00 0.00 C ATOM 657 CG GLU A 41 -6.632 5.714 -20.764 1.00 0.00 C ATOM 658 CD GLU A 41 -7.738 6.645 -20.334 1.00 0.00 C ATOM 659 OE1 GLU A 41 -7.912 7.703 -20.968 1.00 0.00 O ATOM 660 OE2 GLU A 41 -8.449 6.319 -19.365 1.00 0.00 O1- ATOM 0 H GLU A 41 -7.300 3.373 -23.833 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.027 4.230 -22.366 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.195 5.466 -22.796 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.985 4.362 -21.687 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.341 5.087 -19.921 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.756 6.300 -21.043 1.00 0.00 H new ATOM 667 N LEU A 42 -6.818 1.747 -21.171 1.00 0.00 N ATOM 668 CA LEU A 42 -6.849 0.694 -20.163 1.00 0.00 C ATOM 669 C LEU A 42 -5.624 -0.194 -20.296 1.00 0.00 C ATOM 670 O LEU A 42 -5.070 -0.662 -19.300 1.00 0.00 O ATOM 671 CB LEU A 42 -8.128 -0.144 -20.284 1.00 0.00 C ATOM 672 CG LEU A 42 -9.445 0.600 -20.035 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.627 -0.331 -20.231 1.00 0.00 C ATOM 674 CD2 LEU A 42 -9.469 1.204 -18.638 1.00 0.00 C ATOM 0 H LEU A 42 -7.528 1.654 -21.897 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.842 1.163 -19.179 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.162 -0.577 -21.284 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.063 -0.973 -19.580 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.519 1.412 -20.759 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.553 0.214 -20.050 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.624 -0.713 -21.252 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.554 -1.164 -19.532 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.413 1.727 -18.484 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.368 0.411 -17.897 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.643 1.907 -18.531 1.00 0.00 H new ATOM 686 N ILE A 43 -5.204 -0.421 -21.538 1.00 0.00 N ATOM 687 CA ILE A 43 -4.015 -1.212 -21.812 1.00 0.00 C ATOM 688 C ILE A 43 -2.803 -0.548 -21.168 1.00 0.00 C ATOM 689 O ILE A 43 -1.955 -1.219 -20.576 1.00 0.00 O ATOM 690 CB ILE A 43 -3.765 -1.363 -23.339 1.00 0.00 C ATOM 691 CG1 ILE A 43 -4.936 -2.096 -24.004 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.454 -2.102 -23.601 1.00 0.00 C ATOM 693 CD1 ILE A 43 -4.812 -2.211 -25.511 1.00 0.00 C ATOM 0 H ILE A 43 -5.674 -0.066 -22.371 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.171 -2.206 -21.393 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.689 -0.366 -23.773 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.015 -3.096 -23.578 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.862 -1.574 -23.764 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.298 -2.197 -24.676 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.627 -1.543 -23.163 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.500 -3.094 -23.152 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.678 -2.741 -25.908 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.765 -1.214 -25.949 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.904 -2.760 -25.761 1.00 0.00 H new ATOM 705 N GLN A 44 -2.750 0.777 -21.261 1.00 0.00 N ATOM 706 CA GLN A 44 -1.666 1.552 -20.670 1.00 0.00 C ATOM 707 C GLN A 44 -1.674 1.403 -19.153 1.00 0.00 C ATOM 708 O GLN A 44 -0.635 1.198 -18.540 1.00 0.00 O ATOM 709 CB GLN A 44 -1.800 3.028 -21.047 1.00 0.00 C ATOM 710 CG GLN A 44 -1.855 3.278 -22.542 1.00 0.00 C ATOM 711 CD GLN A 44 -2.063 4.738 -22.884 1.00 0.00 C ATOM 712 OE1 GLN A 44 -1.610 5.630 -22.168 1.00 0.00 O ATOM 713 NE2 GLN A 44 -2.761 4.991 -23.971 1.00 0.00 N ATOM 0 H GLN A 44 -3.451 1.339 -21.744 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.721 1.173 -21.058 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.703 3.430 -20.588 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.958 3.578 -20.627 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.928 2.931 -22.998 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.664 2.689 -22.975 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.119 4.222 -24.538 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.944 5.956 -24.247 1.00 0.00 H new ATOM 722 N LYS A 45 -2.866 1.487 -18.561 1.00 0.00 N ATOM 723 CA LYS A 45 -3.024 1.361 -17.105 1.00 0.00 C ATOM 724 C LYS A 45 -2.561 -0.013 -16.627 1.00 0.00 C ATOM 725 O LYS A 45 -1.952 -0.142 -15.562 1.00 0.00 O ATOM 726 CB LYS A 45 -4.491 1.556 -16.701 1.00 0.00 C ATOM 727 CG LYS A 45 -5.099 2.874 -17.142 1.00 0.00 C ATOM 728 CD LYS A 45 -6.560 2.968 -16.725 1.00 0.00 C ATOM 729 CE LYS A 45 -7.235 4.203 -17.307 1.00 0.00 C ATOM 730 NZ LYS A 45 -6.563 5.462 -16.894 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.739 1.642 -19.065 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.411 2.133 -16.640 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.081 0.741 -17.120 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.568 1.480 -15.616 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.539 3.701 -16.706 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.019 2.971 -18.225 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.090 2.074 -17.054 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.627 2.996 -15.637 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.236 4.135 -18.395 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.277 4.229 -16.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.124 6.277 -17.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.478 5.487 -15.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.615 5.505 -17.320 1.00 0.00 H new ATOM 744 N HIS A 46 -2.840 -1.025 -17.431 1.00 0.00 N ATOM 745 CA HIS A 46 -2.502 -2.398 -17.097 1.00 0.00 C ATOM 746 C HIS A 46 -1.010 -2.655 -17.324 1.00 0.00 C ATOM 747 O HIS A 46 -0.341 -3.263 -16.491 1.00 0.00 O ATOM 748 CB HIS A 46 -3.373 -3.348 -17.942 1.00 0.00 C ATOM 749 CG HIS A 46 -3.070 -4.815 -17.805 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.315 -5.549 -16.662 1.00 0.00 N ATOM 751 CD2 HIS A 46 -2.588 -5.690 -18.711 1.00 0.00 C ATOM 752 CE1 HIS A 46 -2.995 -6.816 -16.880 1.00 0.00 C ATOM 753 NE2 HIS A 46 -2.549 -6.927 -18.124 1.00 0.00 N ATOM 0 H HIS A 46 -3.306 -0.918 -18.332 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.703 -2.581 -16.042 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.417 -3.186 -17.675 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.266 -3.071 -18.991 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.684 -5.175 -15.788 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.286 -5.457 -19.721 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.082 -7.622 -16.166 1.00 0.00 H new ATOM 761 N ARG A 47 -0.496 -2.179 -18.455 1.00 0.00 N ATOM 762 CA ARG A 47 0.917 -2.341 -18.788 1.00 0.00 C ATOM 763 C ARG A 47 1.811 -1.536 -17.851 1.00 0.00 C ATOM 764 O ARG A 47 2.897 -1.978 -17.500 1.00 0.00 O ATOM 765 CB ARG A 47 1.185 -1.945 -20.245 1.00 0.00 C ATOM 766 CG ARG A 47 2.640 -2.104 -20.664 1.00 0.00 C ATOM 767 CD ARG A 47 2.831 -1.841 -22.146 1.00 0.00 C ATOM 768 NE ARG A 47 4.228 -2.007 -22.550 1.00 0.00 N ATOM 769 CZ ARG A 47 4.657 -2.887 -23.463 1.00 0.00 C ATOM 770 NH1 ARG A 47 3.800 -3.715 -24.052 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 5.944 -2.941 -23.770 1.00 0.00 N ATOM 0 H ARG A 47 -1.038 -1.677 -19.158 1.00 0.00 H new ATOM 0 HA ARG A 47 1.160 -3.396 -18.661 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.559 -2.553 -20.899 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.885 -0.907 -20.391 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.261 -1.416 -20.090 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.978 -3.113 -20.427 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.203 -2.522 -22.720 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.502 -0.829 -22.381 1.00 0.00 H new ATOM 0 HE ARG A 47 4.924 -1.410 -22.104 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.810 -3.682 -23.809 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.132 -4.383 -24.747 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.604 -2.313 -23.311 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.275 -3.610 -24.465 1.00 0.00 H new ATOM 785 N GLN A 48 1.342 -0.367 -17.434 1.00 0.00 N ATOM 786 CA GLN A 48 2.115 0.491 -16.541 1.00 0.00 C ATOM 787 C GLN A 48 2.443 -0.234 -15.246 1.00 0.00 C ATOM 788 O GLN A 48 3.520 -0.057 -14.682 1.00 0.00 O ATOM 789 CB GLN A 48 1.356 1.787 -16.239 1.00 0.00 C ATOM 790 CG GLN A 48 2.189 2.824 -15.503 1.00 0.00 C ATOM 791 CD GLN A 48 3.403 3.260 -16.301 1.00 0.00 C ATOM 792 OE1 GLN A 48 3.380 3.276 -17.529 1.00 0.00 O ATOM 793 NE2 GLN A 48 4.470 3.601 -15.615 1.00 0.00 N ATOM 0 H GLN A 48 0.432 0.010 -17.698 1.00 0.00 H new ATOM 0 HA GLN A 48 3.048 0.743 -17.045 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.001 2.217 -17.176 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.475 1.551 -15.642 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.570 3.694 -15.283 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.514 2.414 -14.547 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.451 3.575 -14.596 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.318 3.892 -16.102 1.00 0.00 H new ATOM 802 N LEU A 49 1.527 -1.070 -14.790 1.00 0.00 N ATOM 803 CA LEU A 49 1.733 -1.837 -13.581 1.00 0.00 C ATOM 804 C LEU A 49 2.835 -2.864 -13.792 1.00 0.00 C ATOM 805 O LEU A 49 3.565 -3.209 -12.864 1.00 0.00 O ATOM 806 CB LEU A 49 0.433 -2.527 -13.187 1.00 0.00 C ATOM 807 CG LEU A 49 -0.718 -1.587 -12.837 1.00 0.00 C ATOM 808 CD1 LEU A 49 -2.017 -2.348 -12.753 1.00 0.00 C ATOM 809 CD2 LEU A 49 -0.440 -0.871 -11.527 1.00 0.00 C ATOM 0 H LEU A 49 0.629 -1.233 -15.245 1.00 0.00 H new ATOM 0 HA LEU A 49 2.037 -1.166 -12.778 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.119 -3.172 -14.008 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.627 -3.173 -12.331 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.805 -0.842 -13.628 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.826 -1.661 -12.503 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.225 -2.819 -13.714 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.940 -3.115 -11.982 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.271 -0.205 -11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.327 -1.604 -10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.477 -0.289 -11.618 1.00 0.00 H new ATOM 821 N PHE A 50 2.951 -3.337 -15.024 1.00 0.00 N ATOM 822 CA PHE A 50 3.977 -4.296 -15.392 1.00 0.00 C ATOM 823 C PHE A 50 5.322 -3.591 -15.545 1.00 0.00 C ATOM 824 O PHE A 50 6.365 -4.163 -15.262 1.00 0.00 O ATOM 825 CB PHE A 50 3.593 -5.019 -16.691 1.00 0.00 C ATOM 826 CG PHE A 50 4.624 -6.000 -17.174 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.884 -7.157 -16.461 1.00 0.00 C ATOM 828 CD2 PHE A 50 5.333 -5.763 -18.342 1.00 0.00 C ATOM 829 CE1 PHE A 50 5.830 -8.060 -16.900 1.00 0.00 C ATOM 830 CE2 PHE A 50 6.281 -6.663 -18.787 1.00 0.00 C ATOM 831 CZ PHE A 50 6.530 -7.814 -18.065 1.00 0.00 C ATOM 0 H PHE A 50 2.338 -3.067 -15.793 1.00 0.00 H new ATOM 0 HA PHE A 50 4.063 -5.040 -14.601 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.651 -5.545 -16.537 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.420 -4.277 -17.470 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.340 -7.356 -15.550 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.142 -4.865 -18.910 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.023 -8.959 -16.333 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.827 -6.467 -19.698 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.270 -8.520 -18.411 1.00 0.00 H new ATOM 841 N ASP A 51 5.279 -2.332 -15.969 1.00 0.00 N ATOM 842 CA ASP A 51 6.492 -1.531 -16.129 1.00 0.00 C ATOM 843 C ASP A 51 7.056 -1.165 -14.771 1.00 0.00 C ATOM 844 O ASP A 51 8.258 -0.956 -14.614 1.00 0.00 O ATOM 845 CB ASP A 51 6.219 -0.258 -16.942 1.00 0.00 C ATOM 846 CG ASP A 51 6.164 -0.508 -18.434 1.00 0.00 C ATOM 847 OD1 ASP A 51 7.231 -0.774 -19.036 1.00 0.00 O ATOM 848 OD2 ASP A 51 5.069 -0.417 -19.020 1.00 0.00 O1- ATOM 0 H ASP A 51 4.417 -1.842 -16.209 1.00 0.00 H new ATOM 0 HA ASP A 51 7.220 -2.131 -16.675 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.274 0.178 -16.617 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.997 0.475 -16.731 1.00 0.00 H new ATOM 969 N GLU A 60 5.199 -16.405 -21.123 1.00 0.00 N ATOM 970 CA GLU A 60 4.506 -16.497 -22.407 1.00 0.00 C ATOM 971 C GLU A 60 3.307 -15.555 -22.449 1.00 0.00 C ATOM 972 O GLU A 60 2.990 -14.978 -23.489 1.00 0.00 O ATOM 973 CB GLU A 60 4.076 -17.939 -22.687 1.00 0.00 C ATOM 974 CG GLU A 60 3.608 -18.179 -24.114 1.00 0.00 C ATOM 975 CD GLU A 60 3.341 -19.638 -24.400 1.00 0.00 C ATOM 976 OE1 GLU A 60 4.314 -20.426 -24.471 1.00 0.00 O ATOM 977 OE2 GLU A 60 2.167 -20.012 -24.568 1.00 0.00 O1- ATOM 0 HA GLU A 60 5.201 -16.191 -23.189 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.912 -18.605 -22.473 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.272 -18.207 -22.002 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.700 -17.605 -24.296 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.363 -17.809 -24.807 1.00 0.00 H new ATOM 984 N ALA A 61 2.680 -15.376 -21.297 1.00 0.00 N ATOM 985 CA ALA A 61 1.496 -14.532 -21.187 1.00 0.00 C ATOM 986 C ALA A 61 1.823 -13.089 -21.558 1.00 0.00 C ATOM 987 O ALA A 61 1.055 -12.428 -22.256 1.00 0.00 O ATOM 988 CB ALA A 61 0.912 -14.599 -19.785 1.00 0.00 C ATOM 0 H ALA A 61 2.972 -15.806 -20.419 1.00 0.00 H new ATOM 0 HA ALA A 61 0.750 -14.907 -21.888 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.030 -13.961 -19.727 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.632 -15.627 -19.556 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.655 -14.256 -19.065 1.00 0.00 H new ATOM 994 N ALA A 62 2.980 -12.613 -21.101 1.00 0.00 N ATOM 995 CA ALA A 62 3.414 -11.253 -21.389 1.00 0.00 C ATOM 996 C ALA A 62 3.679 -11.066 -22.877 1.00 0.00 C ATOM 997 O ALA A 62 3.289 -10.058 -23.463 1.00 0.00 O ATOM 998 CB ALA A 62 4.664 -10.918 -20.588 1.00 0.00 C ATOM 0 H ALA A 62 3.632 -13.151 -20.530 1.00 0.00 H new ATOM 0 HA ALA A 62 2.613 -10.574 -21.098 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.978 -9.899 -20.813 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.448 -11.005 -19.523 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.463 -11.610 -20.854 1.00 0.00 H new ATOM 1004 N LYS A 63 4.324 -12.056 -23.488 1.00 0.00 N ATOM 1005 CA LYS A 63 4.637 -11.997 -24.908 1.00 0.00 C ATOM 1006 C LYS A 63 3.355 -11.974 -25.730 1.00 0.00 C ATOM 1007 O LYS A 63 3.222 -11.194 -26.677 1.00 0.00 O ATOM 1008 CB LYS A 63 5.510 -13.186 -25.316 1.00 0.00 C ATOM 1009 CG LYS A 63 6.031 -13.114 -26.747 1.00 0.00 C ATOM 1010 CD LYS A 63 6.906 -11.885 -26.958 1.00 0.00 C ATOM 1011 CE LYS A 63 7.572 -11.897 -28.325 1.00 0.00 C ATOM 1012 NZ LYS A 63 8.490 -13.053 -28.478 1.00 0.00 N1+ ATOM 0 H LYS A 63 4.639 -12.906 -23.021 1.00 0.00 H new ATOM 0 HA LYS A 63 5.193 -11.080 -25.102 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.358 -13.251 -24.635 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.934 -14.104 -25.196 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.604 -14.013 -26.973 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.191 -13.088 -27.441 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.300 -10.985 -26.856 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.670 -11.844 -26.181 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.808 -11.934 -29.102 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.127 -10.970 -28.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.143 -12.876 -29.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.034 -13.182 -27.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.937 -13.912 -28.672 1.00 0.00 H new ATOM 1026 N GLN A 64 2.413 -12.825 -25.350 1.00 0.00 N ATOM 1027 CA GLN A 64 1.122 -12.879 -26.016 1.00 0.00 C ATOM 1028 C GLN A 64 0.391 -11.561 -25.844 1.00 0.00 C ATOM 1029 O GLN A 64 -0.261 -11.081 -26.769 1.00 0.00 O ATOM 1030 CB GLN A 64 0.270 -14.013 -25.465 1.00 0.00 C ATOM 1031 CG GLN A 64 0.834 -15.394 -25.713 1.00 0.00 C ATOM 1032 CD GLN A 64 -0.066 -16.479 -25.171 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -0.789 -16.275 -24.200 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -0.027 -17.637 -25.785 1.00 0.00 N ATOM 0 H GLN A 64 2.520 -13.488 -24.582 1.00 0.00 H new ATOM 0 HA GLN A 64 1.297 -13.062 -27.076 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.148 -13.871 -24.391 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.724 -13.954 -25.909 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.975 -15.541 -26.784 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.817 -15.473 -25.249 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.587 -17.768 -26.589 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.611 -18.407 -25.459 1.00 0.00 H new ATOM 1043 N GLY A 65 0.515 -10.974 -24.655 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.107 -9.693 -24.390 1.00 0.00 C ATOM 1045 C GLY A 65 0.420 -8.608 -25.298 1.00 0.00 C ATOM 1046 O GLY A 65 -0.352 -7.803 -25.813 1.00 0.00 O ATOM 0 H GLY A 65 1.037 -11.366 -23.871 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.186 -9.781 -24.519 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.069 -9.413 -23.351 1.00 0.00 H new ATOM 1050 N ASP A 66 1.729 -8.594 -25.515 1.00 0.00 N ATOM 1051 CA ASP A 66 2.336 -7.630 -26.432 1.00 0.00 C ATOM 1052 C ASP A 66 1.794 -7.819 -27.836 1.00 0.00 C ATOM 1053 O ASP A 66 1.440 -6.855 -28.514 1.00 0.00 O ATOM 1054 CB ASP A 66 3.861 -7.757 -26.452 1.00 0.00 C ATOM 1055 CG ASP A 66 4.535 -6.947 -25.369 1.00 0.00 C ATOM 1056 OD1 ASP A 66 4.653 -5.712 -25.536 1.00 0.00 O ATOM 1057 OD2 ASP A 66 4.976 -7.532 -24.367 1.00 0.00 O1- ATOM 0 H ASP A 66 2.389 -9.234 -25.073 1.00 0.00 H new ATOM 0 HA ASP A 66 2.078 -6.633 -26.074 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.134 -8.806 -26.337 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.234 -7.435 -27.424 1.00 0.00 H new ATOM 1062 N GLN A 67 1.709 -9.072 -28.261 1.00 0.00 N ATOM 1063 CA GLN A 67 1.205 -9.396 -29.589 1.00 0.00 C ATOM 1064 C GLN A 67 -0.267 -9.018 -29.707 1.00 0.00 C ATOM 1065 O GLN A 67 -0.718 -8.566 -30.756 1.00 0.00 O ATOM 1066 CB GLN A 67 1.401 -10.883 -29.894 1.00 0.00 C ATOM 1067 CG GLN A 67 2.847 -11.351 -29.787 1.00 0.00 C ATOM 1068 CD GLN A 67 3.790 -10.575 -30.691 1.00 0.00 C ATOM 1069 OE1 GLN A 67 4.009 -10.945 -31.840 1.00 0.00 O ATOM 1070 NE2 GLN A 67 4.359 -9.502 -30.172 1.00 0.00 N ATOM 0 H GLN A 67 1.983 -9.882 -27.705 1.00 0.00 H new ATOM 0 HA GLN A 67 1.771 -8.819 -30.320 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.789 -11.468 -29.208 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.037 -11.088 -30.901 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.180 -11.252 -28.754 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.900 -12.410 -30.039 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.150 -9.228 -29.212 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.007 -8.947 -30.731 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.006 -9.195 -28.615 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.417 -8.839 -28.573 1.00 0.00 C ATOM 1081 C TRP A 68 -2.581 -7.338 -28.791 1.00 0.00 C ATOM 1082 O TRP A 68 -3.492 -6.894 -29.489 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.051 -9.257 -27.238 1.00 0.00 C ATOM 1084 CG TRP A 68 -4.545 -9.110 -27.222 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -5.456 -10.042 -27.611 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.300 -7.964 -26.803 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -6.729 -9.551 -27.471 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -6.661 -8.277 -26.974 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -4.957 -6.704 -26.302 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -7.678 -7.380 -26.666 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -5.968 -5.814 -25.996 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.312 -6.155 -26.178 1.00 0.00 C ATOM 0 H TRP A 68 -0.646 -9.585 -27.744 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.931 -9.374 -29.372 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.792 -10.295 -27.029 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.624 -8.655 -26.436 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.212 -11.028 -27.978 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -7.587 -10.053 -27.700 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.922 -6.432 -26.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -8.717 -7.640 -26.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.716 -4.838 -25.609 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -8.078 -5.436 -25.928 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.670 -6.567 -28.209 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.701 -5.120 -28.333 1.00 0.00 C ATOM 1105 C VAL A 69 -1.431 -4.721 -29.779 1.00 0.00 C ATOM 1106 O VAL A 69 -2.046 -3.795 -30.307 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.667 -4.436 -27.398 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.679 -2.923 -27.585 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.944 -4.786 -25.947 1.00 0.00 C ATOM 0 H VAL A 69 -0.899 -6.924 -27.645 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.693 -4.783 -28.033 1.00 0.00 H new ATOM 0 HB VAL A 69 0.322 -4.807 -27.665 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.054 -2.468 -26.919 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.429 -2.682 -28.618 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.671 -2.535 -27.352 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.209 -4.297 -25.308 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.944 -4.447 -25.675 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.879 -5.866 -25.814 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.524 -5.448 -30.426 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.179 -5.178 -31.813 1.00 0.00 C ATOM 1121 C GLN A 70 -1.351 -5.540 -32.720 1.00 0.00 C ATOM 1122 O GLN A 70 -1.652 -4.831 -33.678 1.00 0.00 O ATOM 1123 CB GLN A 70 1.081 -5.943 -32.220 1.00 0.00 C ATOM 1124 CG GLN A 70 2.303 -5.588 -31.386 1.00 0.00 C ATOM 1125 CD GLN A 70 3.565 -6.273 -31.869 1.00 0.00 C ATOM 1126 OE1 GLN A 70 3.520 -7.368 -32.426 1.00 0.00 O ATOM 1127 NE2 GLN A 70 4.697 -5.635 -31.653 1.00 0.00 N ATOM 0 H GLN A 70 -0.016 -6.228 -30.009 1.00 0.00 H new ATOM 0 HA GLN A 70 0.030 -4.114 -31.920 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.891 -7.013 -32.134 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.296 -5.741 -33.269 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.450 -4.508 -31.408 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.121 -5.864 -30.347 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.690 -4.728 -31.187 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.580 -6.048 -31.952 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.018 -6.649 -32.397 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.201 -7.086 -33.134 1.00 0.00 C ATOM 1138 C LEU A 71 -4.298 -6.039 -33.020 1.00 0.00 C ATOM 1139 O LEU A 71 -5.002 -5.749 -33.987 1.00 0.00 O ATOM 1140 CB LEU A 71 -3.717 -8.418 -32.580 1.00 0.00 C ATOM 1141 CG LEU A 71 -2.849 -9.648 -32.835 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -3.370 -10.830 -32.032 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -2.840 -9.987 -34.314 1.00 0.00 C ATOM 0 H LEU A 71 -1.756 -7.263 -31.626 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.925 -7.217 -34.180 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.848 -8.311 -31.503 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.704 -8.604 -33.004 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.829 -9.428 -32.520 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.744 -11.702 -32.221 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.344 -10.588 -30.970 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.396 -11.048 -32.329 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.217 -10.866 -34.482 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.857 -10.194 -34.646 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.439 -9.145 -34.878 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.427 -5.470 -31.828 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.416 -4.435 -31.579 1.00 0.00 C ATOM 1157 C PHE A 72 -5.106 -3.211 -32.435 1.00 0.00 C ATOM 1158 O PHE A 72 -6.013 -2.554 -32.956 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.464 -4.055 -30.093 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.551 -3.066 -29.768 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.833 -3.502 -29.480 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -6.293 -1.703 -29.761 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -8.839 -2.600 -29.192 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -7.295 -0.798 -29.473 1.00 0.00 C ATOM 1165 CZ PHE A 72 -8.569 -1.246 -29.189 1.00 0.00 C ATOM 0 H PHE A 72 -3.856 -5.710 -31.018 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.397 -4.824 -31.850 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.613 -4.957 -29.499 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.501 -3.636 -29.801 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.049 -4.560 -29.480 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.298 -1.346 -29.983 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.835 -2.953 -28.970 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.082 0.261 -29.470 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.354 -0.539 -28.965 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.819 -2.916 -32.589 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.383 -1.808 -33.428 1.00 0.00 C ATOM 1177 C GLN A 73 -3.796 -2.056 -34.872 1.00 0.00 C ATOM 1178 O GLN A 73 -4.231 -1.144 -35.565 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.867 -1.618 -33.335 1.00 0.00 C ATOM 1180 CG GLN A 73 -1.386 -1.172 -31.964 1.00 0.00 C ATOM 1181 CD GLN A 73 0.126 -1.082 -31.871 1.00 0.00 C ATOM 1182 OE1 GLN A 73 0.656 -1.305 -30.684 1.00 0.00 O flip ATOM 1183 NE2 GLN A 73 0.809 -0.815 -32.855 1.00 0.00 N flip ATOM 0 H GLN A 73 -3.060 -3.430 -32.143 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.862 -0.896 -33.072 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.376 -2.556 -33.594 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.557 -0.881 -34.076 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.818 -0.199 -31.731 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.751 -1.871 -31.211 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.362 -0.649 -33.756 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.824 -0.759 -32.771 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.692 -3.311 -35.308 1.00 0.00 N ATOM 1193 CA ARG A 74 -4.089 -3.689 -36.662 1.00 0.00 C ATOM 1194 C ARG A 74 -5.588 -3.521 -36.816 1.00 0.00 C ATOM 1195 O ARG A 74 -6.078 -3.108 -37.869 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.702 -5.141 -36.958 1.00 0.00 C ATOM 1197 CG ARG A 74 -2.227 -5.440 -36.779 1.00 0.00 C ATOM 1198 CD ARG A 74 -1.373 -4.541 -37.647 1.00 0.00 C ATOM 1199 NE ARG A 74 0.045 -4.824 -37.490 1.00 0.00 N ATOM 1200 CZ ARG A 74 1.017 -3.941 -37.707 1.00 0.00 C ATOM 1201 NH1 ARG A 74 0.724 -2.698 -38.096 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 2.285 -4.301 -37.539 1.00 0.00 N ATOM 0 H ARG A 74 -3.336 -4.082 -34.743 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.570 -3.042 -37.369 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.276 -5.798 -36.305 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.988 -5.380 -37.982 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.951 -5.307 -35.733 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.032 -6.483 -37.030 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.656 -4.670 -38.692 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.566 -3.499 -37.391 1.00 0.00 H new ATOM 0 HE ARG A 74 0.313 -5.763 -37.194 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.249 -2.421 -38.228 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.473 -2.025 -38.261 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.511 -5.251 -37.245 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.033 -3.627 -37.704 1.00 0.00 H new ATOM 1216 N PHE A 75 -6.305 -3.852 -35.752 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.748 -3.691 -35.711 1.00 0.00 C ATOM 1218 C PHE A 75 -8.098 -2.223 -35.920 1.00 0.00 C ATOM 1219 O PHE A 75 -8.973 -1.888 -36.719 1.00 0.00 O ATOM 1220 CB PHE A 75 -8.308 -4.203 -34.375 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.794 -4.028 -34.223 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.674 -4.761 -35.000 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -10.309 -3.132 -33.299 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -12.040 -4.602 -34.862 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.674 -2.972 -33.156 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.540 -3.707 -33.939 1.00 0.00 C ATOM 0 H PHE A 75 -5.904 -4.238 -34.897 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.200 -4.280 -36.509 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.066 -5.261 -34.274 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.807 -3.681 -33.560 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.289 -5.465 -35.722 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.636 -2.553 -32.684 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.716 -5.178 -35.477 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.063 -2.272 -32.431 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.607 -3.582 -33.830 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.393 -1.353 -35.205 1.00 0.00 N ATOM 1237 CA ARG A 76 -7.576 0.083 -35.353 1.00 0.00 C ATOM 1238 C ARG A 76 -7.249 0.537 -36.776 1.00 0.00 C ATOM 1239 O ARG A 76 -7.985 1.332 -37.360 1.00 0.00 O ATOM 1240 CB ARG A 76 -6.705 0.856 -34.350 1.00 0.00 C ATOM 1241 CG ARG A 76 -6.792 2.369 -34.512 1.00 0.00 C ATOM 1242 CD ARG A 76 -8.176 2.881 -34.159 1.00 0.00 C ATOM 1243 NE ARG A 76 -8.577 4.032 -34.977 1.00 0.00 N ATOM 1244 CZ ARG A 76 -9.435 4.968 -34.579 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -9.883 4.973 -33.327 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -9.819 5.912 -35.421 1.00 0.00 N ATOM 0 H ARG A 76 -6.689 -1.619 -34.517 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.625 0.299 -35.149 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.006 0.589 -33.337 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.667 0.545 -34.466 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.050 2.849 -33.873 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.552 2.642 -35.540 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.901 2.077 -34.289 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.198 3.163 -33.106 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.172 4.120 -35.909 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.569 4.259 -32.670 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.541 5.691 -33.024 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.458 5.922 -36.375 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.477 6.630 -35.117 1.00 0.00 H new ATOM 1260 N GLU A 77 -6.175 -0.016 -37.350 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.738 0.384 -38.684 1.00 0.00 C ATOM 1262 C GLU A 77 -6.771 -0.012 -39.710 1.00 0.00 C ATOM 1263 O GLU A 77 -7.012 0.709 -40.672 1.00 0.00 O ATOM 1264 CB GLU A 77 -4.400 -0.262 -39.052 1.00 0.00 C ATOM 1265 CG GLU A 77 -3.233 0.153 -38.180 1.00 0.00 C ATOM 1266 CD GLU A 77 -1.917 -0.372 -38.707 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -1.699 -1.601 -38.671 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -1.087 0.445 -39.167 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.599 -0.736 -36.913 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.614 1.467 -38.677 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.509 -1.345 -38.998 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.167 -0.016 -40.088 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.192 1.241 -38.122 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.390 -0.214 -37.166 1.00 0.00 H new ATOM 1275 N ALA A 78 -7.390 -1.159 -39.493 1.00 0.00 N ATOM 1276 CA ALA A 78 -8.390 -1.656 -40.402 1.00 0.00 C ATOM 1277 C ALA A 78 -9.593 -0.731 -40.420 1.00 0.00 C ATOM 1278 O ALA A 78 -10.099 -0.395 -41.483 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.795 -3.069 -40.027 1.00 0.00 C ATOM 0 H ALA A 78 -7.212 -1.761 -38.689 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.967 -1.683 -41.406 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.551 -3.428 -40.725 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.923 -3.721 -40.070 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.202 -3.075 -39.016 1.00 0.00 H new ATOM 1285 N ILE A 79 -10.039 -0.299 -39.236 1.00 0.00 N ATOM 1286 CA ILE A 79 -11.154 0.641 -39.129 1.00 0.00 C ATOM 1287 C ILE A 79 -10.823 1.954 -39.831 1.00 0.00 C ATOM 1288 O ILE A 79 -11.647 2.506 -40.558 1.00 0.00 O ATOM 1289 CB ILE A 79 -11.478 0.949 -37.641 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -11.889 -0.325 -36.906 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -12.577 2.006 -37.532 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -12.138 -0.129 -35.430 1.00 0.00 C ATOM 0 H ILE A 79 -9.644 -0.586 -38.341 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.017 0.175 -39.604 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.576 1.343 -37.172 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.793 -0.722 -37.367 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -11.109 -1.075 -37.036 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.787 2.205 -36.481 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -12.247 2.925 -38.017 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -13.481 1.642 -38.020 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -12.425 -1.079 -34.980 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -11.229 0.238 -34.953 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -12.940 0.596 -35.289 1.00 0.00 H new ATOM 1304 N ASP A 80 -9.601 2.430 -39.638 1.00 0.00 N ATOM 1305 CA ASP A 80 -9.181 3.694 -40.227 1.00 0.00 C ATOM 1306 C ASP A 80 -9.081 3.584 -41.746 1.00 0.00 C ATOM 1307 O ASP A 80 -9.281 4.563 -42.460 1.00 0.00 O ATOM 1308 CB ASP A 80 -7.848 4.177 -39.632 1.00 0.00 C ATOM 1309 CG ASP A 80 -7.967 4.628 -38.180 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -8.772 5.541 -37.893 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -7.241 4.100 -37.326 1.00 0.00 O1- ATOM 0 H ASP A 80 -8.886 1.963 -39.081 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.943 4.435 -39.986 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.116 3.372 -39.697 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.468 5.003 -40.232 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.753 2.396 -42.235 1.00 0.00 N ATOM 1317 CA LYS A 81 -8.668 2.157 -43.679 1.00 0.00 C ATOM 1318 C LYS A 81 -10.005 1.678 -44.256 1.00 0.00 C ATOM 1319 O LYS A 81 -10.108 1.413 -45.458 1.00 0.00 O ATOM 1320 CB LYS A 81 -7.579 1.129 -43.991 1.00 0.00 C ATOM 1321 CG LYS A 81 -6.197 1.522 -43.508 1.00 0.00 C ATOM 1322 CD LYS A 81 -5.181 0.432 -43.802 1.00 0.00 C ATOM 1323 CE LYS A 81 -3.842 0.729 -43.147 1.00 0.00 C ATOM 1324 NZ LYS A 81 -3.260 2.014 -43.613 1.00 0.00 N1+ ATOM 0 H LYS A 81 -8.541 1.581 -41.659 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.415 3.108 -44.147 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.853 0.177 -43.537 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.543 0.970 -45.069 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.890 2.449 -43.992 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.225 1.717 -42.436 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.559 -0.525 -43.443 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.048 0.338 -44.880 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.968 0.761 -42.065 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.146 -0.082 -43.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.292 2.110 -43.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.240 2.029 -44.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.841 2.804 -43.267 1.00 0.00 H new ATOM 1338 N GLY A 82 -11.020 1.558 -43.409 1.00 0.00 N ATOM 1339 CA GLY A 82 -12.326 1.101 -43.867 1.00 0.00 C ATOM 1340 C GLY A 82 -12.341 -0.369 -44.262 1.00 0.00 C ATOM 1341 O GLY A 82 -13.231 -0.814 -44.988 1.00 0.00 O ATOM 0 H GLY A 82 -10.966 1.768 -42.412 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.059 1.266 -43.078 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.636 1.703 -44.721 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.363 -1.119 -43.786 1.00 0.00 N ATOM 1346 CA ASP A 83 -11.273 -2.538 -44.099 1.00 0.00 C ATOM 1347 C ASP A 83 -12.065 -3.346 -43.083 1.00 0.00 C ATOM 1348 O ASP A 83 -11.571 -3.664 -42.001 1.00 0.00 O ATOM 1349 CB ASP A 83 -9.815 -3.006 -44.128 1.00 0.00 C ATOM 1350 CG ASP A 83 -9.658 -4.384 -44.748 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -10.155 -5.364 -44.171 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -9.019 -4.490 -45.815 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.619 -0.771 -43.181 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.697 -2.696 -45.091 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.218 -2.288 -44.690 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.422 -3.022 -43.112 1.00 0.00 H new ATOM 1357 N LYS A 84 -13.301 -3.650 -43.429 1.00 0.00 N ATOM 1358 CA LYS A 84 -14.181 -4.386 -42.530 1.00 0.00 C ATOM 1359 C LYS A 84 -13.842 -5.875 -42.491 1.00 0.00 C ATOM 1360 O LYS A 84 -14.058 -6.544 -41.479 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.660 -4.142 -42.850 1.00 0.00 C ATOM 1362 CG LYS A 84 -16.040 -4.318 -44.308 1.00 0.00 C ATOM 1363 CD LYS A 84 -17.526 -4.069 -44.520 1.00 0.00 C ATOM 1364 CE LYS A 84 -17.924 -2.653 -44.113 1.00 0.00 C ATOM 1365 NZ LYS A 84 -19.376 -2.414 -44.285 1.00 0.00 N1+ ATOM 0 H LYS A 84 -13.722 -3.401 -44.324 1.00 0.00 H new ATOM 0 HA LYS A 84 -14.006 -3.997 -41.527 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.263 -4.822 -42.249 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.920 -3.129 -42.542 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.461 -3.630 -44.924 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.787 -5.327 -44.634 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.776 -4.230 -45.569 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.102 -4.790 -43.940 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.650 -2.484 -43.072 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.365 -1.933 -44.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -19.604 -1.441 -43.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.634 -2.550 -45.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.910 -3.084 -43.695 1.00 0.00 H new ATOM 1379 N ASP A 85 -13.303 -6.378 -43.595 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.924 -7.790 -43.709 1.00 0.00 C ATOM 1381 C ASP A 85 -11.918 -8.175 -42.639 1.00 0.00 C ATOM 1382 O ASP A 85 -12.095 -9.176 -41.933 1.00 0.00 O ATOM 1383 CB ASP A 85 -12.342 -8.084 -45.096 1.00 0.00 C ATOM 1384 CG ASP A 85 -13.366 -7.970 -46.206 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -13.896 -6.856 -46.424 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -13.630 -8.981 -46.885 1.00 0.00 O1- ATOM 0 H ASP A 85 -13.115 -5.828 -44.433 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.826 -8.385 -43.568 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.522 -7.393 -45.293 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.920 -9.089 -45.101 1.00 0.00 H new ATOM 1391 N SER A 86 -10.869 -7.375 -42.507 1.00 0.00 N ATOM 1392 CA SER A 86 -9.836 -7.625 -41.518 1.00 0.00 C ATOM 1393 C SER A 86 -10.389 -7.542 -40.103 1.00 0.00 C ATOM 1394 O SER A 86 -9.922 -8.240 -39.216 1.00 0.00 O ATOM 1395 CB SER A 86 -8.685 -6.631 -41.681 1.00 0.00 C ATOM 1396 OG SER A 86 -8.202 -6.624 -43.015 1.00 0.00 O ATOM 0 H SER A 86 -10.713 -6.544 -43.077 1.00 0.00 H new ATOM 0 HA SER A 86 -9.464 -8.636 -41.682 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.022 -5.631 -41.408 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.876 -6.892 -40.999 1.00 0.00 H new ATOM 0 HG SER A 86 -8.940 -6.425 -43.629 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.401 -6.705 -39.904 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.962 -6.493 -38.575 1.00 0.00 C ATOM 1404 C LEU A 87 -12.506 -7.788 -37.991 1.00 0.00 C ATOM 1405 O LEU A 87 -12.185 -8.141 -36.862 1.00 0.00 O ATOM 1406 CB LEU A 87 -13.074 -5.440 -38.625 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.649 -4.055 -39.106 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.844 -3.119 -39.184 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -11.596 -3.482 -38.185 1.00 0.00 C ATOM 0 H LEU A 87 -11.849 -6.164 -40.644 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.158 -6.137 -37.930 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.866 -5.805 -39.279 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.503 -5.343 -37.628 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.227 -4.155 -40.106 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.516 -2.138 -39.529 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.577 -3.523 -39.882 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.297 -3.024 -38.197 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.301 -2.494 -38.539 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.001 -3.400 -37.176 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.726 -4.138 -38.175 1.00 0.00 H new ATOM 1421 N GLU A 88 -13.301 -8.506 -38.768 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.865 -9.772 -38.314 1.00 0.00 C ATOM 1423 C GLU A 88 -12.768 -10.796 -38.035 1.00 0.00 C ATOM 1424 O GLU A 88 -12.817 -11.521 -37.041 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.852 -10.319 -39.344 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.979 -9.357 -39.674 1.00 0.00 C ATOM 1427 CD GLU A 88 -17.037 -9.978 -40.553 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -18.002 -10.560 -40.004 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -16.925 -9.880 -41.791 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.571 -8.237 -39.714 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.398 -9.585 -37.382 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.312 -10.561 -40.259 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.278 -11.250 -38.969 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.439 -9.011 -38.748 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.568 -8.479 -40.173 1.00 0.00 H new ATOM 1436 N GLN A 89 -11.775 -10.842 -38.908 1.00 0.00 N ATOM 1437 CA GLN A 89 -10.668 -11.776 -38.756 1.00 0.00 C ATOM 1438 C GLN A 89 -9.823 -11.435 -37.523 1.00 0.00 C ATOM 1439 O GLN A 89 -9.479 -12.314 -36.730 1.00 0.00 O ATOM 1440 CB GLN A 89 -9.795 -11.772 -40.014 1.00 0.00 C ATOM 1441 CG GLN A 89 -8.623 -12.743 -39.964 1.00 0.00 C ATOM 1442 CD GLN A 89 -7.800 -12.721 -41.233 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -7.710 -11.697 -41.909 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -7.193 -13.840 -41.564 1.00 0.00 N ATOM 0 H GLN A 89 -11.712 -10.243 -39.731 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.084 -12.774 -38.616 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.417 -12.015 -40.875 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.411 -10.764 -40.173 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.985 -12.494 -39.116 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.998 -13.752 -39.795 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.293 -14.668 -40.976 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.622 -13.880 -42.408 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.515 -10.157 -37.358 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.702 -9.702 -36.236 1.00 0.00 C ATOM 1455 C LEU A 90 -9.441 -9.849 -34.914 1.00 0.00 C ATOM 1456 O LEU A 90 -8.834 -10.149 -33.898 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.257 -8.255 -36.447 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.330 -8.020 -37.645 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -7.107 -6.537 -37.865 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -6.000 -8.734 -37.442 1.00 0.00 C ATOM 0 H LEU A 90 -9.816 -9.414 -37.988 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.816 -10.336 -36.191 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.144 -7.634 -36.569 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.750 -7.913 -35.545 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.810 -8.431 -38.533 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.446 -6.391 -38.720 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.063 -6.050 -38.058 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.651 -6.102 -36.976 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.356 -8.555 -38.303 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.517 -8.354 -36.542 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.174 -9.805 -37.336 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.750 -9.655 -34.938 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.560 -9.794 -33.727 1.00 0.00 C ATOM 1474 C LEU A 91 -11.514 -11.217 -33.211 1.00 0.00 C ATOM 1475 O LEU A 91 -11.359 -11.452 -32.008 1.00 0.00 O ATOM 1476 CB LEU A 91 -13.005 -9.371 -33.975 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.247 -7.868 -34.059 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -14.689 -7.585 -34.421 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -12.886 -7.194 -32.742 1.00 0.00 C ATOM 0 H LEU A 91 -11.276 -9.402 -35.774 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.137 -9.133 -32.971 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.344 -9.828 -34.905 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.626 -9.777 -33.176 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.607 -7.459 -34.841 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.845 -6.508 -34.477 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -14.917 -8.035 -35.387 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.345 -8.008 -33.660 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.065 -6.122 -32.821 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -13.500 -7.607 -31.942 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.834 -7.371 -32.519 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.636 -12.167 -34.119 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.577 -13.566 -33.754 1.00 0.00 C ATOM 1493 C GLU A 92 -10.167 -13.933 -33.300 1.00 0.00 C ATOM 1494 O GLU A 92 -9.989 -14.739 -32.380 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.022 -14.449 -34.917 1.00 0.00 C ATOM 1496 CG GLU A 92 -13.435 -14.153 -35.405 1.00 0.00 C ATOM 1497 CD GLU A 92 -14.482 -14.290 -34.316 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -14.843 -15.441 -33.973 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -14.969 -13.258 -33.811 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.777 -11.993 -35.114 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.262 -13.737 -32.924 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.326 -14.320 -35.746 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.964 -15.494 -34.611 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.469 -13.141 -35.808 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.680 -14.830 -36.223 1.00 0.00 H new ATOM 1506 N GLU A 93 -9.162 -13.329 -33.938 1.00 0.00 N ATOM 1507 CA GLU A 93 -7.770 -13.537 -33.567 1.00 0.00 C ATOM 1508 C GLU A 93 -7.525 -13.000 -32.160 1.00 0.00 C ATOM 1509 O GLU A 93 -6.884 -13.650 -31.332 1.00 0.00 O ATOM 1510 CB GLU A 93 -6.862 -12.800 -34.555 1.00 0.00 C ATOM 1511 CG GLU A 93 -5.380 -13.051 -34.353 1.00 0.00 C ATOM 1512 CD GLU A 93 -4.919 -14.344 -34.976 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -4.989 -15.396 -34.313 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -4.469 -14.312 -36.136 1.00 0.00 O1- ATOM 0 H GLU A 93 -9.294 -12.687 -34.720 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.548 -14.604 -33.591 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.133 -13.096 -35.568 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.051 -11.730 -34.474 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.814 -12.224 -34.781 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.161 -13.068 -33.285 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.062 -11.809 -31.899 1.00 0.00 N ATOM 1522 CA LEU A 94 -7.926 -11.164 -30.606 1.00 0.00 C ATOM 1523 C LEU A 94 -8.559 -12.019 -29.526 1.00 0.00 C ATOM 1524 O LEU A 94 -8.013 -12.163 -28.443 1.00 0.00 O ATOM 1525 CB LEU A 94 -8.590 -9.779 -30.616 1.00 0.00 C ATOM 1526 CG LEU A 94 -7.872 -8.686 -31.410 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.741 -7.442 -31.510 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.547 -8.344 -30.756 1.00 0.00 C ATOM 0 H LEU A 94 -8.600 -11.271 -32.578 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.863 -11.044 -30.398 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.598 -9.886 -31.017 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.691 -9.441 -29.585 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.682 -9.060 -32.416 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.214 -6.675 -32.078 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.675 -7.690 -32.014 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.957 -7.068 -30.509 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.047 -7.565 -31.332 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.723 -7.988 -29.741 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.917 -9.233 -30.725 1.00 0.00 H new ATOM 1540 N GLU A 95 -9.717 -12.584 -29.842 1.00 0.00 N ATOM 1541 CA GLU A 95 -10.451 -13.432 -28.914 1.00 0.00 C ATOM 1542 C GLU A 95 -9.625 -14.658 -28.506 1.00 0.00 C ATOM 1543 O GLU A 95 -9.523 -14.977 -27.324 1.00 0.00 O ATOM 1544 CB GLU A 95 -11.769 -13.873 -29.557 1.00 0.00 C ATOM 1545 CG GLU A 95 -12.653 -14.723 -28.664 1.00 0.00 C ATOM 1546 CD GLU A 95 -13.099 -13.995 -27.416 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -14.001 -13.138 -27.512 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -12.573 -14.297 -26.327 1.00 0.00 O1- ATOM 0 H GLU A 95 -10.173 -12.467 -30.747 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.659 -12.856 -28.012 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.326 -12.986 -29.859 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.546 -14.433 -30.465 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.531 -15.041 -29.227 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.113 -15.626 -28.379 1.00 0.00 H new ATOM 1555 N GLN A 96 -9.010 -15.317 -29.485 1.00 0.00 N ATOM 1556 CA GLN A 96 -8.212 -16.509 -29.210 1.00 0.00 C ATOM 1557 C GLN A 96 -6.975 -16.158 -28.397 1.00 0.00 C ATOM 1558 O GLN A 96 -6.622 -16.857 -27.443 1.00 0.00 O ATOM 1559 CB GLN A 96 -7.793 -17.199 -30.506 1.00 0.00 C ATOM 1560 CG GLN A 96 -7.046 -18.505 -30.277 1.00 0.00 C ATOM 1561 CD GLN A 96 -6.468 -19.088 -31.546 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -6.103 -18.362 -32.469 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -6.376 -20.399 -31.601 1.00 0.00 N ATOM 0 H GLN A 96 -9.048 -15.049 -30.468 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.834 -17.193 -28.632 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.680 -17.396 -31.108 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.161 -16.523 -31.082 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.241 -18.335 -29.562 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.724 -19.230 -29.827 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.690 -20.966 -30.813 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.990 -20.849 -32.431 1.00 0.00 H new ATOM 1572 N ALA A 97 -6.330 -15.067 -28.771 1.00 0.00 N ATOM 1573 CA ALA A 97 -5.125 -14.635 -28.095 1.00 0.00 C ATOM 1574 C ALA A 97 -5.443 -14.194 -26.674 1.00 0.00 C ATOM 1575 O ALA A 97 -4.774 -14.594 -25.731 1.00 0.00 O ATOM 1576 CB ALA A 97 -4.456 -13.511 -28.873 1.00 0.00 C ATOM 0 H ALA A 97 -6.623 -14.465 -29.541 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.432 -15.475 -28.044 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.551 -13.197 -28.353 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.196 -13.864 -29.871 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.140 -12.667 -28.953 1.00 0.00 H new ATOM 1582 N LEU A 98 -6.502 -13.406 -26.532 1.00 0.00 N ATOM 1583 CA LEU A 98 -6.926 -12.904 -25.231 1.00 0.00 C ATOM 1584 C LEU A 98 -7.308 -14.052 -24.308 1.00 0.00 C ATOM 1585 O LEU A 98 -6.908 -14.085 -23.141 1.00 0.00 O ATOM 1586 CB LEU A 98 -8.100 -11.913 -25.401 1.00 0.00 C ATOM 1587 CG LEU A 98 -8.727 -11.347 -24.116 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -9.216 -9.928 -24.351 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -9.889 -12.218 -23.659 1.00 0.00 C ATOM 0 H LEU A 98 -7.087 -13.099 -27.309 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.092 -12.373 -24.772 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.752 -11.075 -26.005 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.885 -12.412 -25.970 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.963 -11.340 -23.338 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.658 -9.539 -23.434 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.377 -9.298 -24.645 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.965 -9.928 -25.143 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.320 -11.802 -22.748 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.650 -12.249 -24.439 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.531 -13.228 -23.462 1.00 0.00 H new ATOM 1601 N GLN A 99 -8.080 -14.990 -24.832 1.00 0.00 N ATOM 1602 CA GLN A 99 -8.509 -16.135 -24.067 1.00 0.00 C ATOM 1603 C GLN A 99 -7.321 -16.985 -23.611 1.00 0.00 C ATOM 1604 O GLN A 99 -7.287 -17.449 -22.466 1.00 0.00 O ATOM 1605 CB GLN A 99 -9.487 -16.974 -24.884 1.00 0.00 C ATOM 1606 CG GLN A 99 -10.062 -18.140 -24.121 1.00 0.00 C ATOM 1607 CD GLN A 99 -10.787 -17.710 -22.862 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -11.374 -16.627 -22.802 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -10.724 -18.535 -21.844 1.00 0.00 N ATOM 0 H GLN A 99 -8.421 -14.974 -25.793 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.014 -15.772 -23.172 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.302 -16.337 -25.227 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.979 -17.347 -25.773 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.751 -18.686 -24.765 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.259 -18.828 -23.857 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.228 -19.422 -21.936 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.171 -18.290 -20.961 1.00 0.00 H new ATOM 1618 N LYS A 100 -6.344 -17.174 -24.490 1.00 0.00 N ATOM 1619 CA LYS A 100 -5.176 -17.969 -24.148 1.00 0.00 C ATOM 1620 C LYS A 100 -4.336 -17.256 -23.086 1.00 0.00 C ATOM 1621 O LYS A 100 -3.784 -17.896 -22.185 1.00 0.00 O ATOM 1622 CB LYS A 100 -4.338 -18.282 -25.390 1.00 0.00 C ATOM 1623 CG LYS A 100 -3.315 -19.388 -25.171 1.00 0.00 C ATOM 1624 CD LYS A 100 -2.640 -19.790 -26.472 1.00 0.00 C ATOM 1625 CE LYS A 100 -1.727 -20.991 -26.270 1.00 0.00 C ATOM 1626 NZ LYS A 100 -1.068 -21.405 -27.534 1.00 0.00 N1+ ATOM 0 H LYS A 100 -6.338 -16.791 -25.435 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.520 -18.917 -23.734 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.003 -18.570 -26.204 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.820 -17.377 -25.706 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.562 -19.052 -24.458 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.805 -20.256 -24.731 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.397 -20.027 -27.219 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.062 -18.951 -26.859 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.967 -20.748 -25.527 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.306 -21.825 -25.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.455 -22.226 -27.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.792 -21.661 -28.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.494 -20.619 -27.900 1.00 0.00 H new ATOM 1640 N ILE A 101 -4.258 -15.927 -23.183 1.00 0.00 N ATOM 1641 CA ILE A 101 -3.542 -15.130 -22.191 1.00 0.00 C ATOM 1642 C ILE A 101 -4.190 -15.306 -20.828 1.00 0.00 C ATOM 1643 O ILE A 101 -3.504 -15.515 -19.825 1.00 0.00 O ATOM 1644 CB ILE A 101 -3.524 -13.625 -22.558 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -2.783 -13.410 -23.873 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -2.872 -12.808 -21.443 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -2.877 -11.998 -24.401 1.00 0.00 C ATOM 0 H ILE A 101 -4.681 -15.384 -23.936 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.511 -15.483 -22.169 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.553 -13.287 -22.677 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.733 -13.667 -23.734 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.182 -14.095 -24.621 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.869 -11.754 -21.719 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.435 -12.939 -20.519 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.847 -13.148 -21.295 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.326 -11.923 -25.338 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.923 -11.743 -24.573 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.451 -11.308 -23.673 1.00 0.00 H new ATOM 1659 N ARG A 102 -5.524 -15.238 -20.798 1.00 0.00 N ATOM 1660 CA ARG A 102 -6.274 -15.438 -19.566 1.00 0.00 C ATOM 1661 C ARG A 102 -5.968 -16.799 -18.978 1.00 0.00 C ATOM 1662 O ARG A 102 -5.736 -16.922 -17.790 1.00 0.00 O ATOM 1663 CB ARG A 102 -7.780 -15.343 -19.830 1.00 0.00 C ATOM 1664 CG ARG A 102 -8.266 -13.974 -20.265 1.00 0.00 C ATOM 1665 CD ARG A 102 -9.741 -14.011 -20.649 1.00 0.00 C ATOM 1666 NE ARG A 102 -10.589 -14.484 -19.552 1.00 0.00 N ATOM 1667 CZ ARG A 102 -11.928 -14.518 -19.586 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -12.591 -14.151 -20.683 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -12.599 -14.938 -18.526 1.00 0.00 N ATOM 0 H ARG A 102 -6.102 -15.046 -21.616 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.978 -14.658 -18.864 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.046 -16.068 -20.599 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.312 -15.630 -18.923 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.115 -13.258 -19.457 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.675 -13.627 -21.113 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.061 -13.013 -20.949 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.873 -14.661 -21.514 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.128 -14.810 -18.703 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.079 -13.840 -21.508 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.610 -14.181 -20.697 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.097 -15.234 -17.689 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.618 -14.966 -18.546 1.00 0.00 H new ATOM 1683 N GLU A 103 -5.949 -17.809 -19.828 1.00 0.00 N ATOM 1684 CA GLU A 103 -5.693 -19.171 -19.397 1.00 0.00 C ATOM 1685 C GLU A 103 -4.305 -19.302 -18.754 1.00 0.00 C ATOM 1686 O GLU A 103 -4.148 -19.973 -17.732 1.00 0.00 O ATOM 1687 CB GLU A 103 -5.829 -20.127 -20.579 1.00 0.00 C ATOM 1688 CG GLU A 103 -5.750 -21.591 -20.202 1.00 0.00 C ATOM 1689 CD GLU A 103 -5.899 -22.496 -21.397 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -7.041 -22.909 -21.701 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -4.883 -22.797 -22.043 1.00 0.00 O1- ATOM 0 H GLU A 103 -6.109 -17.710 -20.830 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.433 -19.434 -18.641 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.782 -19.941 -21.075 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.045 -19.906 -21.303 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.794 -21.788 -19.716 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.530 -21.820 -19.476 1.00 0.00 H new ATOM 1698 N LEU A 104 -3.308 -18.660 -19.346 1.00 0.00 N ATOM 1699 CA LEU A 104 -1.947 -18.711 -18.817 1.00 0.00 C ATOM 1700 C LEU A 104 -1.801 -17.880 -17.545 1.00 0.00 C ATOM 1701 O LEU A 104 -1.089 -18.273 -16.623 1.00 0.00 O ATOM 1702 CB LEU A 104 -0.941 -18.243 -19.869 1.00 0.00 C ATOM 1703 CG LEU A 104 -0.832 -19.116 -21.119 1.00 0.00 C ATOM 1704 CD1 LEU A 104 0.195 -18.543 -22.077 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -0.470 -20.546 -20.744 1.00 0.00 C ATOM 0 H LEU A 104 -3.412 -18.098 -20.191 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.738 -19.750 -18.563 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.209 -17.232 -20.177 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.043 -18.184 -19.403 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.802 -19.127 -21.616 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.260 -19.176 -22.962 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.104 -17.537 -22.372 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.168 -18.503 -21.587 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.397 -21.152 -21.647 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.488 -20.554 -20.223 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.241 -20.958 -20.092 1.00 0.00 H new ATOM 1717 N ALA A 105 -2.460 -16.731 -17.508 1.00 0.00 N ATOM 1718 CA ALA A 105 -2.398 -15.842 -16.349 1.00 0.00 C ATOM 1719 C ALA A 105 -3.226 -16.377 -15.178 1.00 0.00 C ATOM 1720 O ALA A 105 -2.887 -16.166 -14.014 1.00 0.00 O ATOM 1721 CB ALA A 105 -2.858 -14.445 -16.732 1.00 0.00 C ATOM 0 H ALA A 105 -3.047 -16.388 -18.269 1.00 0.00 H new ATOM 0 HA ALA A 105 -1.359 -15.797 -16.021 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -2.807 -13.793 -15.860 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.212 -14.052 -17.517 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.885 -14.487 -17.094 1.00 0.00 H new