USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 895 hydrogens (8 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 NoAdj-H: A 46 HIS HE2 : A 46 HIS NE2 : A 201 7BUZN :(H bumps) USER MOD Single : A 1 SER N :NH3+ -170:sc= 2.17 (180deg=1.75) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 150:sc= 1.17 (180deg=1.07) USER MOD Single : A 8 GLN : amide:sc= -0.668 X(o=-0.67,f=-0.5) USER MOD Single : A 9 THR OG1 : rot -67:sc= 0.435 USER MOD Single : A 15 GLN : amide:sc= -0.137 K(o=-0.14,f=-2.4) USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= -0.0364 (180deg=-0.237) USER MOD Single : A 31 SER OG : rot 170:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.73) USER MOD Single : A 44 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.7) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc=-0.00377 (180deg=-0.124) USER MOD Single : A 48 GLN : amide:sc= -0.96 X(o=-0.96,f=-0.48) USER MOD Single : A 52 ASN : amide:sc= -1.16 K(o=-1.2,f=-1.7!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.0502 (180deg=-0.289) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.645 F(o=-2,f=-0.65) USER MOD Single : A 67 GLN : amide:sc= -0.0773 K(o=-0.077,f=-1.5) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 73 GLN : amide:sc= -0.34 K(o=-0.34,f=-3.3) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.02) USER MOD Single : A 86 SER OG : rot 56:sc= 1.16 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 96 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.047) USER MOD Single : A 99 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.81) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= -0.0229 (180deg=-0.213) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= 0.527 K(o=0.53,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.363 -6.055 -9.577 1.00 0.00 N ATOM 2 CA SER A 1 3.317 -5.209 -8.382 1.00 0.00 C ATOM 3 C SER A 1 1.882 -4.822 -8.092 1.00 0.00 C ATOM 4 O SER A 1 1.158 -4.410 -9.001 1.00 0.00 O ATOM 5 CB SER A 1 4.185 -3.961 -8.593 1.00 0.00 C ATOM 6 OG SER A 1 4.345 -3.223 -7.392 1.00 0.00 O ATOM 0 H1 SER A 1 4.316 -6.459 -9.680 1.00 0.00 H new ATOM 0 H2 SER A 1 2.669 -6.824 -9.485 1.00 0.00 H new ATOM 0 H3 SER A 1 3.136 -5.484 -10.416 1.00 0.00 H new ATOM 0 HA SER A 1 3.710 -5.760 -7.528 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.163 -4.258 -8.970 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.730 -3.325 -9.353 1.00 0.00 H new ATOM 0 HG SER A 1 4.904 -2.437 -7.563 1.00 0.00 H new ATOM 14 N GLU A 2 1.476 -4.971 -6.824 1.00 0.00 N ATOM 15 CA GLU A 2 0.111 -4.678 -6.390 1.00 0.00 C ATOM 16 C GLU A 2 -0.886 -5.537 -7.169 1.00 0.00 C ATOM 17 O GLU A 2 -1.547 -5.065 -8.106 1.00 0.00 O ATOM 18 CB GLU A 2 -0.206 -3.180 -6.527 1.00 0.00 C ATOM 19 CG GLU A 2 0.757 -2.285 -5.750 1.00 0.00 C ATOM 20 CD GLU A 2 0.428 -0.814 -5.872 1.00 0.00 C ATOM 21 OE1 GLU A 2 0.867 -0.178 -6.849 1.00 0.00 O ATOM 22 OE2 GLU A 2 -0.268 -0.280 -4.984 1.00 0.00 O1- ATOM 0 H GLU A 2 2.086 -5.298 -6.075 1.00 0.00 H new ATOM 0 HA GLU A 2 0.022 -4.929 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.177 -2.904 -7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.222 -2.997 -6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.739 -2.569 -4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.772 -2.455 -6.109 1.00 0.00 H new ATOM 29 N PHE A 3 -0.975 -6.809 -6.774 1.00 0.00 N ATOM 30 CA PHE A 3 -1.810 -7.792 -7.468 1.00 0.00 C ATOM 31 C PHE A 3 -3.271 -7.379 -7.518 1.00 0.00 C ATOM 32 O PHE A 3 -3.963 -7.664 -8.492 1.00 0.00 O ATOM 33 CB PHE A 3 -1.666 -9.195 -6.843 1.00 0.00 C ATOM 34 CG PHE A 3 -2.224 -9.326 -5.447 1.00 0.00 C ATOM 35 CD1 PHE A 3 -3.531 -9.749 -5.243 1.00 0.00 C ATOM 36 CD2 PHE A 3 -1.446 -9.032 -4.345 1.00 0.00 C ATOM 37 CE1 PHE A 3 -4.043 -9.871 -3.968 1.00 0.00 C ATOM 38 CE2 PHE A 3 -1.951 -9.153 -3.067 1.00 0.00 C ATOM 39 CZ PHE A 3 -3.251 -9.573 -2.878 1.00 0.00 C ATOM 0 H PHE A 3 -0.474 -7.185 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 3 -1.448 -7.833 -8.495 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.165 -9.918 -7.488 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -0.609 -9.462 -6.823 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -4.154 -9.985 -6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.427 -8.702 -4.486 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -5.062 -10.199 -3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.329 -8.919 -2.216 1.00 0.00 H new ATOM 0 HZ PHE A 3 -3.649 -9.669 -1.878 1.00 0.00 H new ATOM 49 N GLU A 4 -3.728 -6.691 -6.485 1.00 0.00 N ATOM 50 CA GLU A 4 -5.114 -6.262 -6.407 1.00 0.00 C ATOM 51 C GLU A 4 -5.455 -5.352 -7.574 1.00 0.00 C ATOM 52 O GLU A 4 -6.458 -5.547 -8.260 1.00 0.00 O ATOM 53 CB GLU A 4 -5.361 -5.530 -5.091 1.00 0.00 C ATOM 54 CG GLU A 4 -6.778 -5.021 -4.922 1.00 0.00 C ATOM 55 CD GLU A 4 -6.950 -4.238 -3.647 1.00 0.00 C ATOM 56 OE1 GLU A 4 -7.041 -2.993 -3.716 1.00 0.00 O ATOM 57 OE2 GLU A 4 -6.981 -4.862 -2.566 1.00 0.00 O1- ATOM 0 H GLU A 4 -3.157 -6.417 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.753 -7.144 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.127 -6.201 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.673 -4.687 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.040 -4.391 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.469 -5.864 -4.925 1.00 0.00 H new ATOM 64 N LYS A 5 -4.594 -4.382 -7.813 1.00 0.00 N ATOM 65 CA LYS A 5 -4.813 -3.416 -8.862 1.00 0.00 C ATOM 66 C LYS A 5 -4.688 -4.053 -10.237 1.00 0.00 C ATOM 67 O LYS A 5 -5.548 -3.859 -11.084 1.00 0.00 O ATOM 68 CB LYS A 5 -3.854 -2.242 -8.710 1.00 0.00 C ATOM 69 CG LYS A 5 -4.083 -1.451 -7.437 1.00 0.00 C ATOM 70 CD LYS A 5 -3.031 -0.380 -7.244 1.00 0.00 C ATOM 71 CE LYS A 5 -3.299 0.418 -5.983 1.00 0.00 C ATOM 72 NZ LYS A 5 -2.208 1.370 -5.686 1.00 0.00 N1+ ATOM 0 H LYS A 5 -3.730 -4.245 -7.288 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.832 -3.041 -8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.829 -2.613 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.962 -1.578 -9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.070 -0.990 -7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.074 -2.127 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.044 -0.840 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.022 0.287 -8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.236 0.964 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.423 -0.264 -5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.595 2.198 -5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.497 0.907 -5.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.763 1.677 -6.575 1.00 0.00 H new ATOM 86 N LEU A 6 -3.594 -4.775 -10.480 1.00 0.00 N ATOM 87 CA LEU A 6 -3.444 -5.479 -11.756 1.00 0.00 C ATOM 88 C LEU A 6 -4.649 -6.390 -12.060 1.00 0.00 C ATOM 89 O LEU A 6 -5.119 -6.425 -13.195 1.00 0.00 O ATOM 90 CB LEU A 6 -2.085 -6.210 -11.880 1.00 0.00 C ATOM 91 CG LEU A 6 -1.819 -7.378 -10.936 1.00 0.00 C ATOM 92 CD1 LEU A 6 -2.293 -8.690 -11.547 1.00 0.00 C ATOM 93 CD2 LEU A 6 -0.338 -7.451 -10.599 1.00 0.00 C ATOM 0 H LEU A 6 -2.816 -4.888 -9.830 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.435 -4.715 -12.534 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.994 -6.578 -12.902 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.294 -5.474 -11.734 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.381 -7.213 -10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.092 -9.507 -10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.364 -8.635 -11.742 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.763 -8.868 -12.482 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.159 -8.288 -9.924 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.237 -7.593 -11.514 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.029 -6.524 -10.116 1.00 0.00 H new ATOM 105 N ARG A 7 -5.146 -7.121 -11.054 1.00 0.00 N ATOM 106 CA ARG A 7 -6.362 -7.928 -11.238 1.00 0.00 C ATOM 107 C ARG A 7 -7.559 -7.031 -11.563 1.00 0.00 C ATOM 108 O ARG A 7 -8.314 -7.297 -12.494 1.00 0.00 O ATOM 109 CB ARG A 7 -6.675 -8.742 -9.970 1.00 0.00 C ATOM 110 CG ARG A 7 -5.696 -9.869 -9.671 1.00 0.00 C ATOM 111 CD ARG A 7 -5.816 -10.999 -10.677 1.00 0.00 C ATOM 112 NE ARG A 7 -7.157 -11.595 -10.684 1.00 0.00 N ATOM 113 CZ ARG A 7 -7.517 -12.631 -11.447 1.00 0.00 C ATOM 114 NH1 ARG A 7 -6.626 -13.233 -12.225 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -8.765 -13.081 -11.416 1.00 0.00 N ATOM 0 H ARG A 7 -4.736 -7.172 -10.122 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.183 -8.611 -12.069 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.696 -8.064 -9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.675 -9.165 -10.066 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.678 -9.479 -9.681 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.880 -10.254 -8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.582 -10.623 -11.673 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.079 -11.769 -10.446 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.861 -11.192 -10.066 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.660 -12.905 -12.243 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.907 -14.023 -12.805 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.453 -12.636 -10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.037 -13.872 -12.000 1.00 0.00 H new ATOM 129 N GLN A 8 -7.696 -5.960 -10.799 1.00 0.00 N ATOM 130 CA GLN A 8 -8.794 -5.012 -10.987 1.00 0.00 C ATOM 131 C GLN A 8 -8.751 -4.367 -12.380 1.00 0.00 C ATOM 132 O GLN A 8 -9.758 -4.341 -13.080 1.00 0.00 O ATOM 133 CB GLN A 8 -8.741 -3.934 -9.892 1.00 0.00 C ATOM 134 CG GLN A 8 -9.773 -2.830 -10.041 1.00 0.00 C ATOM 135 CD GLN A 8 -11.199 -3.335 -9.970 1.00 0.00 C ATOM 136 OE1 GLN A 8 -11.496 -4.314 -9.286 1.00 0.00 O ATOM 137 NE2 GLN A 8 -12.083 -2.676 -10.679 1.00 0.00 N ATOM 0 H GLN A 8 -7.060 -5.720 -10.038 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.734 -5.559 -10.910 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.878 -4.413 -8.922 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.747 -3.486 -9.889 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.618 -2.088 -9.258 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.620 -2.324 -10.994 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.794 -1.869 -11.232 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.060 -2.970 -10.677 1.00 0.00 H new ATOM 146 N THR A 9 -7.580 -3.890 -12.795 1.00 0.00 N ATOM 147 CA THR A 9 -7.423 -3.299 -14.122 1.00 0.00 C ATOM 148 C THR A 9 -7.632 -4.334 -15.219 1.00 0.00 C ATOM 149 O THR A 9 -8.029 -4.000 -16.334 1.00 0.00 O ATOM 150 CB THR A 9 -6.030 -2.656 -14.288 1.00 0.00 C ATOM 151 OG1 THR A 9 -5.010 -3.588 -13.889 1.00 0.00 O ATOM 152 CG2 THR A 9 -5.914 -1.390 -13.449 1.00 0.00 C ATOM 0 H THR A 9 -6.728 -3.901 -12.234 1.00 0.00 H new ATOM 0 HA THR A 9 -8.185 -2.526 -14.215 1.00 0.00 H new ATOM 0 HB THR A 9 -5.898 -2.394 -15.338 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.077 -3.754 -12.925 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.924 -0.955 -13.582 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.671 -0.673 -13.766 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.064 -1.635 -12.398 1.00 0.00 H new ATOM 160 N GLY A 10 -7.374 -5.589 -14.891 1.00 0.00 N ATOM 161 CA GLY A 10 -7.560 -6.650 -15.845 1.00 0.00 C ATOM 162 C GLY A 10 -9.025 -6.926 -16.057 1.00 0.00 C ATOM 163 O GLY A 10 -9.505 -6.948 -17.187 1.00 0.00 O ATOM 0 H GLY A 10 -7.038 -5.889 -13.976 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.095 -6.379 -16.793 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.062 -7.553 -15.493 1.00 0.00 H new ATOM 167 N ASP A 11 -9.735 -7.138 -14.961 1.00 0.00 N ATOM 168 CA ASP A 11 -11.174 -7.362 -15.000 1.00 0.00 C ATOM 169 C ASP A 11 -11.904 -6.178 -15.629 1.00 0.00 C ATOM 170 O ASP A 11 -12.852 -6.362 -16.398 1.00 0.00 O ATOM 171 CB ASP A 11 -11.714 -7.663 -13.601 1.00 0.00 C ATOM 172 CG ASP A 11 -11.484 -9.107 -13.191 1.00 0.00 C ATOM 173 OD1 ASP A 11 -10.652 -9.350 -12.293 1.00 0.00 O ATOM 174 OD2 ASP A 11 -12.138 -10.008 -13.770 1.00 0.00 O1- ATOM 0 H ASP A 11 -9.334 -7.160 -14.023 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.360 -8.232 -15.629 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.234 -7.002 -12.879 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.782 -7.445 -13.572 1.00 0.00 H new ATOM 179 N GLU A 12 -11.457 -4.959 -15.309 1.00 0.00 N ATOM 180 CA GLU A 12 -12.032 -3.756 -15.917 1.00 0.00 C ATOM 181 C GLU A 12 -11.808 -3.773 -17.421 1.00 0.00 C ATOM 182 O GLU A 12 -12.700 -3.435 -18.199 1.00 0.00 O ATOM 183 CB GLU A 12 -11.435 -2.481 -15.318 1.00 0.00 C ATOM 184 CG GLU A 12 -11.848 -2.223 -13.883 1.00 0.00 C ATOM 185 CD GLU A 12 -11.402 -0.867 -13.385 1.00 0.00 C ATOM 186 OE1 GLU A 12 -12.056 0.143 -13.730 1.00 0.00 O ATOM 187 OE2 GLU A 12 -10.417 -0.801 -12.630 1.00 0.00 O1- ATOM 0 H GLU A 12 -10.708 -4.781 -14.640 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.102 -3.757 -15.707 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.348 -2.543 -15.367 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.733 -1.630 -15.930 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.932 -2.297 -13.802 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.427 -2.998 -13.243 1.00 0.00 H new ATOM 194 N LEU A 13 -10.607 -4.173 -17.821 1.00 0.00 N ATOM 195 CA LEU A 13 -10.264 -4.294 -19.228 1.00 0.00 C ATOM 196 C LEU A 13 -11.177 -5.302 -19.918 1.00 0.00 C ATOM 197 O LEU A 13 -11.658 -5.054 -21.018 1.00 0.00 O ATOM 198 CB LEU A 13 -8.804 -4.725 -19.372 1.00 0.00 C ATOM 199 CG LEU A 13 -8.311 -4.947 -20.796 1.00 0.00 C ATOM 200 CD1 LEU A 13 -8.377 -3.656 -21.590 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.896 -5.506 -20.787 1.00 0.00 C ATOM 0 H LEU A 13 -9.851 -4.420 -17.183 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.400 -3.323 -19.704 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.175 -3.968 -18.905 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.661 -5.649 -18.811 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.962 -5.675 -21.279 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.021 -3.834 -22.605 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.407 -3.302 -21.624 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.750 -2.903 -21.113 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.559 -5.659 -21.812 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.230 -4.803 -20.287 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.884 -6.458 -20.255 1.00 0.00 H new ATOM 213 N VAL A 14 -11.416 -6.430 -19.263 1.00 0.00 N ATOM 214 CA VAL A 14 -12.309 -7.454 -19.801 1.00 0.00 C ATOM 215 C VAL A 14 -13.715 -6.883 -19.987 1.00 0.00 C ATOM 216 O VAL A 14 -14.343 -7.075 -21.031 1.00 0.00 O ATOM 217 CB VAL A 14 -12.373 -8.695 -18.878 1.00 0.00 C ATOM 218 CG1 VAL A 14 -13.320 -9.746 -19.444 1.00 0.00 C ATOM 219 CG2 VAL A 14 -10.986 -9.283 -18.680 1.00 0.00 C ATOM 0 H VAL A 14 -11.005 -6.662 -18.358 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.909 -7.766 -20.766 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.758 -8.377 -17.909 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.347 -10.608 -18.777 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.321 -9.324 -19.533 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.970 -10.059 -20.428 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.050 -10.155 -18.029 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.576 -9.581 -19.645 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.336 -8.536 -18.224 1.00 0.00 H new ATOM 229 N GLN A 15 -14.197 -6.180 -18.968 1.00 0.00 N ATOM 230 CA GLN A 15 -15.513 -5.547 -19.029 1.00 0.00 C ATOM 231 C GLN A 15 -15.606 -4.581 -20.203 1.00 0.00 C ATOM 232 O GLN A 15 -16.566 -4.626 -20.970 1.00 0.00 O ATOM 233 CB GLN A 15 -15.830 -4.811 -17.724 1.00 0.00 C ATOM 234 CG GLN A 15 -16.228 -5.727 -16.581 1.00 0.00 C ATOM 235 CD GLN A 15 -17.489 -6.517 -16.887 1.00 0.00 C ATOM 236 OE1 GLN A 15 -18.360 -6.062 -17.636 1.00 0.00 O ATOM 237 NE2 GLN A 15 -17.600 -7.693 -16.309 1.00 0.00 N ATOM 0 H GLN A 15 -13.698 -6.033 -18.090 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.248 -6.339 -19.172 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.957 -4.231 -17.424 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.637 -4.101 -17.906 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.411 -6.418 -16.371 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -16.383 -5.134 -15.680 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.858 -8.033 -15.697 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.428 -8.266 -16.473 1.00 0.00 H new ATOM 246 N ALA A 16 -14.594 -3.741 -20.363 1.00 0.00 N ATOM 247 CA ALA A 16 -14.567 -2.774 -21.457 1.00 0.00 C ATOM 248 C ALA A 16 -14.427 -3.475 -22.804 1.00 0.00 C ATOM 249 O ALA A 16 -15.016 -3.053 -23.796 1.00 0.00 O ATOM 250 CB ALA A 16 -13.439 -1.774 -21.252 1.00 0.00 C ATOM 0 H ALA A 16 -13.779 -3.707 -19.750 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.514 -2.234 -21.458 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.432 -1.060 -22.075 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.590 -1.243 -20.312 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.486 -2.302 -21.221 1.00 0.00 H new ATOM 256 N PHE A 17 -13.650 -4.550 -22.829 1.00 0.00 N ATOM 257 CA PHE A 17 -13.454 -5.331 -24.045 1.00 0.00 C ATOM 258 C PHE A 17 -14.775 -5.962 -24.475 1.00 0.00 C ATOM 259 O PHE A 17 -15.100 -6.010 -25.665 1.00 0.00 O ATOM 260 CB PHE A 17 -12.390 -6.413 -23.824 1.00 0.00 C ATOM 261 CG PHE A 17 -12.073 -7.217 -25.054 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.250 -6.701 -26.041 1.00 0.00 C ATOM 263 CD2 PHE A 17 -12.596 -8.490 -25.220 1.00 0.00 C ATOM 264 CE1 PHE A 17 -10.954 -7.439 -27.170 1.00 0.00 C ATOM 265 CE2 PHE A 17 -12.304 -9.232 -26.346 1.00 0.00 C ATOM 266 CZ PHE A 17 -11.483 -8.707 -27.323 1.00 0.00 C ATOM 0 H PHE A 17 -13.143 -4.903 -22.017 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.106 -4.667 -24.836 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.475 -5.941 -23.465 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.730 -7.088 -23.039 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.835 -5.710 -25.926 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.240 -8.906 -24.459 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.310 -7.026 -27.932 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.718 -10.223 -26.463 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.254 -9.286 -28.206 1.00 0.00 H new ATOM 276 N GLN A 18 -15.534 -6.438 -23.498 1.00 0.00 N ATOM 277 CA GLN A 18 -16.841 -7.014 -23.749 1.00 0.00 C ATOM 278 C GLN A 18 -17.760 -5.960 -24.356 1.00 0.00 C ATOM 279 O GLN A 18 -18.498 -6.231 -25.303 1.00 0.00 O ATOM 280 CB GLN A 18 -17.432 -7.551 -22.445 1.00 0.00 C ATOM 281 CG GLN A 18 -18.792 -8.206 -22.602 1.00 0.00 C ATOM 282 CD GLN A 18 -19.325 -8.768 -21.295 1.00 0.00 C ATOM 283 OE1 GLN A 18 -18.970 -8.141 -20.189 1.00 0.00 O flip ATOM 284 NE2 GLN A 18 -20.056 -9.756 -21.285 1.00 0.00 N flip ATOM 0 H GLN A 18 -15.260 -6.435 -22.515 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.742 -7.841 -24.453 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.739 -8.276 -22.017 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.516 -6.731 -21.732 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.500 -7.476 -22.994 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.722 -9.008 -23.336 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -20.308 -10.213 -22.161 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -20.411 -10.119 -20.400 1.00 0.00 H new ATOM 293 N ARG A 19 -17.682 -4.748 -23.816 1.00 0.00 N ATOM 294 CA ARG A 19 -18.478 -3.628 -24.304 1.00 0.00 C ATOM 295 C ARG A 19 -18.043 -3.248 -25.711 1.00 0.00 C ATOM 296 O ARG A 19 -18.863 -2.860 -26.543 1.00 0.00 O ATOM 297 CB ARG A 19 -18.355 -2.420 -23.360 1.00 0.00 C ATOM 298 CG ARG A 19 -18.663 -2.743 -21.907 1.00 0.00 C ATOM 299 CD ARG A 19 -20.018 -3.413 -21.753 1.00 0.00 C ATOM 300 NE ARG A 19 -20.145 -4.093 -20.467 1.00 0.00 N ATOM 301 CZ ARG A 19 -20.890 -5.184 -20.264 1.00 0.00 C ATOM 302 NH1 ARG A 19 -21.599 -5.711 -21.261 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -20.913 -5.754 -19.066 1.00 0.00 N ATOM 0 H ARG A 19 -17.070 -4.516 -23.034 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.524 -3.934 -24.331 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.343 -2.020 -23.427 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -19.031 -1.635 -23.699 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -17.887 -3.396 -21.507 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.642 -1.826 -21.318 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -20.806 -2.666 -21.848 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -20.162 -4.132 -22.560 1.00 0.00 H new ATOM 0 HE ARG A 19 -19.632 -3.711 -19.672 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -21.575 -5.282 -22.186 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -22.165 -6.544 -21.099 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -20.363 -5.359 -18.303 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -21.481 -6.587 -18.908 1.00 0.00 H new ATOM 317 N LEU A 20 -16.745 -3.379 -25.973 1.00 0.00 N ATOM 318 CA LEU A 20 -16.182 -3.070 -27.278 1.00 0.00 C ATOM 319 C LEU A 20 -16.778 -3.990 -28.332 1.00 0.00 C ATOM 320 O LEU A 20 -17.073 -3.564 -29.445 1.00 0.00 O ATOM 321 CB LEU A 20 -14.659 -3.231 -27.258 1.00 0.00 C ATOM 322 CG LEU A 20 -13.920 -2.744 -28.508 1.00 0.00 C ATOM 323 CD1 LEU A 20 -13.932 -1.227 -28.578 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.492 -3.273 -28.534 1.00 0.00 C ATOM 0 H LEU A 20 -16.060 -3.701 -25.289 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.424 -2.035 -27.522 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.267 -2.693 -26.395 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.426 -4.285 -27.109 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.440 -3.132 -29.384 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.402 -0.900 -29.473 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.962 -0.873 -28.616 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.440 -0.818 -27.695 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.987 -2.914 -29.431 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.958 -2.921 -27.651 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.508 -4.363 -28.538 1.00 0.00 H new ATOM 336 N ARG A 21 -16.963 -5.260 -27.966 1.00 0.00 N ATOM 337 CA ARG A 21 -17.543 -6.235 -28.878 1.00 0.00 C ATOM 338 C ARG A 21 -18.973 -5.854 -29.219 1.00 0.00 C ATOM 339 O ARG A 21 -19.374 -5.906 -30.378 1.00 0.00 O ATOM 340 CB ARG A 21 -17.510 -7.653 -28.279 1.00 0.00 C ATOM 341 CG ARG A 21 -18.175 -8.705 -29.169 1.00 0.00 C ATOM 342 CD ARG A 21 -17.398 -8.914 -30.461 1.00 0.00 C ATOM 343 NE ARG A 21 -18.269 -9.250 -31.593 1.00 0.00 N ATOM 344 CZ ARG A 21 -17.886 -9.970 -32.655 1.00 0.00 C ATOM 345 NH1 ARG A 21 -16.687 -10.550 -32.680 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -18.717 -10.127 -33.677 1.00 0.00 N ATOM 0 H ARG A 21 -16.719 -5.632 -27.048 1.00 0.00 H new ATOM 0 HA ARG A 21 -16.943 -6.235 -29.788 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.474 -7.940 -28.102 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.008 -7.641 -27.309 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.245 -9.649 -28.628 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -19.194 -8.395 -29.402 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.837 -8.009 -30.694 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.670 -9.712 -30.318 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.231 -8.912 -31.569 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.054 -10.447 -31.887 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.402 -11.097 -33.492 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.643 -9.700 -33.652 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.430 -10.675 -34.488 1.00 0.00 H new ATOM 360 N GLU A 22 -19.727 -5.442 -28.205 1.00 0.00 N ATOM 361 CA GLU A 22 -21.119 -5.062 -28.397 1.00 0.00 C ATOM 362 C GLU A 22 -21.213 -3.890 -29.359 1.00 0.00 C ATOM 363 O GLU A 22 -21.974 -3.927 -30.324 1.00 0.00 O ATOM 364 CB GLU A 22 -21.763 -4.698 -27.059 1.00 0.00 C ATOM 365 CG GLU A 22 -21.676 -5.798 -26.014 1.00 0.00 C ATOM 366 CD GLU A 22 -22.421 -5.451 -24.749 1.00 0.00 C ATOM 367 OE1 GLU A 22 -21.800 -4.923 -23.806 1.00 0.00 O ATOM 368 OE2 GLU A 22 -23.637 -5.700 -24.692 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.396 -5.363 -27.243 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.656 -5.911 -28.821 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.283 -3.801 -26.668 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -22.812 -4.452 -27.227 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -22.080 -6.722 -26.428 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -20.629 -5.987 -25.776 1.00 0.00 H new ATOM 375 N ILE A 23 -20.440 -2.852 -29.089 1.00 0.00 N ATOM 376 CA ILE A 23 -20.363 -1.691 -29.967 1.00 0.00 C ATOM 377 C ILE A 23 -19.945 -2.099 -31.394 1.00 0.00 C ATOM 378 O ILE A 23 -20.431 -1.538 -32.384 1.00 0.00 O ATOM 379 CB ILE A 23 -19.352 -0.657 -29.421 1.00 0.00 C ATOM 380 CG1 ILE A 23 -19.742 -0.204 -28.004 1.00 0.00 C ATOM 381 CG2 ILE A 23 -19.271 0.536 -30.347 1.00 0.00 C ATOM 382 CD1 ILE A 23 -21.118 0.416 -27.904 1.00 0.00 C ATOM 0 H ILE A 23 -19.850 -2.788 -28.260 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.357 -1.244 -30.001 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.372 -1.132 -29.370 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.694 -1.063 -27.335 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -19.005 0.517 -27.650 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.555 1.256 -29.951 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -18.947 0.209 -31.335 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -20.252 1.004 -30.424 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -21.312 0.707 -26.872 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -21.168 1.297 -28.544 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -21.867 -0.308 -28.224 1.00 0.00 H new ATOM 394 N PHE A 24 -19.063 -3.085 -31.478 1.00 0.00 N ATOM 395 CA PHE A 24 -18.549 -3.549 -32.759 1.00 0.00 C ATOM 396 C PHE A 24 -19.647 -4.236 -33.566 1.00 0.00 C ATOM 397 O PHE A 24 -19.828 -3.952 -34.751 1.00 0.00 O ATOM 398 CB PHE A 24 -17.362 -4.498 -32.566 1.00 0.00 C ATOM 399 CG PHE A 24 -16.819 -5.041 -33.856 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.016 -4.257 -34.666 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.117 -6.334 -34.265 1.00 0.00 C ATOM 402 CE1 PHE A 24 -15.522 -4.748 -35.855 1.00 0.00 C ATOM 403 CE2 PHE A 24 -16.623 -6.830 -35.454 1.00 0.00 C ATOM 404 CZ PHE A 24 -15.824 -6.035 -36.250 1.00 0.00 C ATOM 0 H PHE A 24 -18.687 -3.581 -30.670 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.203 -2.676 -33.313 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -16.567 -3.971 -32.038 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.670 -5.329 -31.931 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.774 -3.249 -34.363 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -17.743 -6.959 -33.645 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.898 -4.125 -36.478 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -16.861 -7.838 -35.761 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.435 -6.420 -37.181 1.00 0.00 H new ATOM 414 N ASP A 25 -20.380 -5.136 -32.914 1.00 0.00 N ATOM 415 CA ASP A 25 -21.488 -5.850 -33.565 1.00 0.00 C ATOM 416 C ASP A 25 -22.560 -4.878 -34.045 1.00 0.00 C ATOM 417 O ASP A 25 -23.295 -5.165 -34.993 1.00 0.00 O ATOM 418 CB ASP A 25 -22.125 -6.876 -32.609 1.00 0.00 C ATOM 419 CG ASP A 25 -21.236 -8.069 -32.315 1.00 0.00 C ATOM 420 OD1 ASP A 25 -20.990 -8.877 -33.229 1.00 0.00 O ATOM 421 OD2 ASP A 25 -20.803 -8.229 -31.157 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.231 -5.391 -31.938 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.071 -6.375 -34.425 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.374 -6.380 -31.671 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.061 -7.229 -33.041 1.00 0.00 H new ATOM 426 N LYS A 26 -22.632 -3.723 -33.403 1.00 0.00 N ATOM 427 CA LYS A 26 -23.605 -2.701 -33.766 1.00 0.00 C ATOM 428 C LYS A 26 -23.027 -1.724 -34.793 1.00 0.00 C ATOM 429 O LYS A 26 -23.707 -0.788 -35.221 1.00 0.00 O ATOM 430 CB LYS A 26 -24.073 -1.947 -32.520 1.00 0.00 C ATOM 431 CG LYS A 26 -24.674 -2.849 -31.457 1.00 0.00 C ATOM 432 CD LYS A 26 -25.141 -2.059 -30.251 1.00 0.00 C ATOM 433 CE LYS A 26 -25.637 -2.980 -29.145 1.00 0.00 C ATOM 434 NZ LYS A 26 -26.676 -3.925 -29.628 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.026 -3.468 -32.624 1.00 0.00 H new ATOM 0 HA LYS A 26 -24.461 -3.199 -34.221 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.228 -1.408 -32.092 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -24.812 -1.201 -32.812 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -25.515 -3.399 -31.879 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.935 -3.587 -31.145 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -24.322 -1.445 -29.876 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -25.940 -1.379 -30.546 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.797 -3.543 -28.739 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -26.043 -2.381 -28.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -27.128 -4.389 -28.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -27.393 -3.404 -30.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -26.235 -4.645 -30.236 1.00 0.00 H new ATOM 448 N GLY A 27 -21.771 -1.955 -35.190 1.00 0.00 N ATOM 449 CA GLY A 27 -21.111 -1.102 -36.174 1.00 0.00 C ATOM 450 C GLY A 27 -21.076 0.370 -35.791 1.00 0.00 C ATOM 451 O GLY A 27 -21.071 1.234 -36.664 1.00 0.00 O ATOM 0 H GLY A 27 -21.196 -2.723 -34.844 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.090 -1.454 -36.318 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.622 -1.206 -37.131 1.00 0.00 H new ATOM 455 N ASP A 28 -21.063 0.662 -34.506 1.00 0.00 N ATOM 456 CA ASP A 28 -21.105 2.049 -34.062 1.00 0.00 C ATOM 457 C ASP A 28 -19.693 2.616 -33.911 1.00 0.00 C ATOM 458 O ASP A 28 -19.094 2.544 -32.837 1.00 0.00 O ATOM 459 CB ASP A 28 -21.886 2.172 -32.748 1.00 0.00 C ATOM 460 CG ASP A 28 -22.247 3.606 -32.411 1.00 0.00 C ATOM 461 OD1 ASP A 28 -21.356 4.376 -32.010 1.00 0.00 O ATOM 462 OD2 ASP A 28 -23.439 3.965 -32.538 1.00 0.00 O1- ATOM 0 H ASP A 28 -21.024 -0.029 -33.756 1.00 0.00 H new ATOM 0 HA ASP A 28 -21.622 2.634 -34.822 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -22.798 1.579 -32.816 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -21.292 1.751 -31.937 1.00 0.00 H new ATOM 467 N ASP A 29 -19.158 3.146 -35.013 1.00 0.00 N ATOM 468 CA ASP A 29 -17.802 3.736 -35.045 1.00 0.00 C ATOM 469 C ASP A 29 -17.620 4.828 -34.001 1.00 0.00 C ATOM 470 O ASP A 29 -16.525 4.999 -33.459 1.00 0.00 O ATOM 471 CB ASP A 29 -17.508 4.343 -36.426 1.00 0.00 C ATOM 472 CG ASP A 29 -17.446 3.323 -37.535 1.00 0.00 C ATOM 473 OD1 ASP A 29 -16.334 2.876 -37.876 1.00 0.00 O ATOM 474 OD2 ASP A 29 -18.508 2.971 -38.085 1.00 0.00 O1- ATOM 0 H ASP A 29 -19.644 3.182 -35.909 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.111 2.922 -34.827 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.278 5.077 -36.662 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.560 4.879 -36.383 1.00 0.00 H new ATOM 479 N ASP A 30 -18.689 5.539 -33.699 1.00 0.00 N ATOM 480 CA ASP A 30 -18.611 6.659 -32.771 1.00 0.00 C ATOM 481 C ASP A 30 -18.328 6.188 -31.367 1.00 0.00 C ATOM 482 O ASP A 30 -17.415 6.683 -30.704 1.00 0.00 O ATOM 483 CB ASP A 30 -19.904 7.464 -32.787 1.00 0.00 C ATOM 484 CG ASP A 30 -20.047 8.311 -34.023 1.00 0.00 C ATOM 485 OD1 ASP A 30 -19.755 9.523 -33.952 1.00 0.00 O ATOM 486 OD2 ASP A 30 -20.459 7.774 -35.074 1.00 0.00 O1- ATOM 0 H ASP A 30 -19.620 5.365 -34.079 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.788 7.295 -33.097 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.752 6.783 -32.719 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -19.939 8.105 -31.906 1.00 0.00 H new ATOM 491 N SER A 31 -19.087 5.215 -30.917 1.00 0.00 N ATOM 492 CA SER A 31 -18.924 4.693 -29.588 1.00 0.00 C ATOM 493 C SER A 31 -17.681 3.812 -29.521 1.00 0.00 C ATOM 494 O SER A 31 -16.993 3.771 -28.504 1.00 0.00 O ATOM 495 CB SER A 31 -20.174 3.915 -29.169 1.00 0.00 C ATOM 496 OG SER A 31 -20.183 3.663 -27.775 1.00 0.00 O ATOM 0 H SER A 31 -19.827 4.769 -31.459 1.00 0.00 H new ATOM 0 HA SER A 31 -18.792 5.521 -28.892 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.065 4.480 -29.444 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.215 2.970 -29.711 1.00 0.00 H new ATOM 0 HG SER A 31 -21.059 3.311 -27.512 1.00 0.00 H new ATOM 502 N LEU A 32 -17.382 3.135 -30.632 1.00 0.00 N ATOM 503 CA LEU A 32 -16.237 2.233 -30.717 1.00 0.00 C ATOM 504 C LEU A 32 -14.943 2.980 -30.465 1.00 0.00 C ATOM 505 O LEU A 32 -14.074 2.495 -29.752 1.00 0.00 O ATOM 506 CB LEU A 32 -16.196 1.592 -32.114 1.00 0.00 C ATOM 507 CG LEU A 32 -15.141 0.508 -32.340 1.00 0.00 C ATOM 508 CD1 LEU A 32 -15.507 -0.761 -31.593 1.00 0.00 C ATOM 509 CD2 LEU A 32 -14.978 0.226 -33.827 1.00 0.00 C ATOM 0 H LEU A 32 -17.925 3.198 -31.493 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.344 1.461 -29.955 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.176 1.162 -32.320 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.034 2.383 -32.847 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.189 0.869 -31.951 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.743 -1.519 -31.767 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.571 -0.549 -30.526 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.470 -1.128 -31.949 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.224 -0.548 -33.970 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.928 -0.113 -34.239 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.665 1.137 -34.338 1.00 0.00 H new ATOM 521 N GLU A 33 -14.831 4.166 -31.032 1.00 0.00 N ATOM 522 CA GLU A 33 -13.635 4.969 -30.868 1.00 0.00 C ATOM 523 C GLU A 33 -13.504 5.457 -29.424 1.00 0.00 C ATOM 524 O GLU A 33 -12.417 5.446 -28.851 1.00 0.00 O ATOM 525 CB GLU A 33 -13.646 6.150 -31.836 1.00 0.00 C ATOM 526 CG GLU A 33 -12.430 7.049 -31.721 1.00 0.00 C ATOM 527 CD GLU A 33 -12.421 8.141 -32.756 1.00 0.00 C ATOM 528 OE1 GLU A 33 -11.717 7.991 -33.773 1.00 0.00 O ATOM 529 OE2 GLU A 33 -13.116 9.157 -32.566 1.00 0.00 O1- ATOM 0 H GLU A 33 -15.554 4.595 -31.610 1.00 0.00 H new ATOM 0 HA GLU A 33 -12.771 4.345 -31.096 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.710 5.771 -32.856 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.543 6.744 -31.659 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.405 7.495 -30.727 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.527 6.448 -31.824 1.00 0.00 H new ATOM 536 N GLN A 34 -14.627 5.848 -28.830 1.00 0.00 N ATOM 537 CA GLN A 34 -14.629 6.352 -27.459 1.00 0.00 C ATOM 538 C GLN A 34 -14.262 5.241 -26.483 1.00 0.00 C ATOM 539 O GLN A 34 -13.448 5.432 -25.578 1.00 0.00 O ATOM 540 CB GLN A 34 -15.997 6.941 -27.101 1.00 0.00 C ATOM 541 CG GLN A 34 -16.402 8.125 -27.967 1.00 0.00 C ATOM 542 CD GLN A 34 -15.417 9.277 -27.883 1.00 0.00 C ATOM 543 OE1 GLN A 34 -14.762 9.482 -26.856 1.00 0.00 O ATOM 544 NE2 GLN A 34 -15.305 10.036 -28.960 1.00 0.00 N ATOM 0 H GLN A 34 -15.545 5.826 -29.274 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.883 7.143 -27.385 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -16.753 6.161 -27.192 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -15.986 7.254 -26.057 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.486 7.799 -29.004 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -17.389 8.473 -27.661 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.865 9.832 -29.788 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.659 10.825 -28.963 1.00 0.00 H new ATOM 553 N VAL A 35 -14.857 4.076 -26.688 1.00 0.00 N ATOM 554 CA VAL A 35 -14.586 2.914 -25.857 1.00 0.00 C ATOM 555 C VAL A 35 -13.146 2.432 -26.070 1.00 0.00 C ATOM 556 O VAL A 35 -12.481 1.989 -25.131 1.00 0.00 O ATOM 557 CB VAL A 35 -15.590 1.763 -26.161 1.00 0.00 C ATOM 558 CG1 VAL A 35 -15.210 0.485 -25.431 1.00 0.00 C ATOM 559 CG2 VAL A 35 -17.003 2.180 -25.778 1.00 0.00 C ATOM 0 H VAL A 35 -15.537 3.910 -27.430 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.710 3.207 -24.814 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.551 1.564 -27.232 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.932 -0.297 -25.666 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.216 0.168 -25.746 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.209 0.666 -24.356 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.694 1.366 -25.996 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.038 2.411 -24.713 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.290 3.062 -26.350 1.00 0.00 H new ATOM 569 N LEU A 36 -12.667 2.555 -27.304 1.00 0.00 N ATOM 570 CA LEU A 36 -11.321 2.129 -27.663 1.00 0.00 C ATOM 571 C LEU A 36 -10.275 2.910 -26.875 1.00 0.00 C ATOM 572 O LEU A 36 -9.250 2.356 -26.468 1.00 0.00 O ATOM 573 CB LEU A 36 -11.080 2.339 -29.155 1.00 0.00 C ATOM 574 CG LEU A 36 -9.955 1.514 -29.755 1.00 0.00 C ATOM 575 CD1 LEU A 36 -10.414 0.088 -29.975 1.00 0.00 C ATOM 576 CD2 LEU A 36 -9.463 2.128 -31.051 1.00 0.00 C ATOM 0 H LEU A 36 -13.199 2.951 -28.079 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.231 1.070 -27.422 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.001 2.110 -29.690 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.866 3.394 -29.326 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.121 1.507 -29.053 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.599 -0.494 -30.406 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.709 -0.350 -29.022 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.265 0.081 -30.656 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.658 1.518 -31.460 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.284 2.173 -31.767 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.094 3.135 -30.859 1.00 0.00 H new ATOM 588 N GLU A 37 -10.545 4.190 -26.648 1.00 0.00 N ATOM 589 CA GLU A 37 -9.626 5.049 -25.917 1.00 0.00 C ATOM 590 C GLU A 37 -9.559 4.631 -24.459 1.00 0.00 C ATOM 591 O GLU A 37 -8.485 4.599 -23.860 1.00 0.00 O ATOM 592 CB GLU A 37 -10.054 6.514 -26.023 1.00 0.00 C ATOM 593 CG GLU A 37 -9.992 7.072 -27.434 1.00 0.00 C ATOM 594 CD GLU A 37 -8.605 6.991 -28.025 1.00 0.00 C ATOM 595 OE1 GLU A 37 -7.758 7.842 -27.687 1.00 0.00 O ATOM 596 OE2 GLU A 37 -8.345 6.082 -28.831 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.397 4.656 -26.962 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.636 4.944 -26.361 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.073 6.613 -25.648 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.416 7.116 -25.376 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.687 6.523 -28.069 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.320 8.111 -27.425 1.00 0.00 H new ATOM 603 N GLU A 38 -10.715 4.285 -23.902 1.00 0.00 N ATOM 604 CA GLU A 38 -10.801 3.849 -22.519 1.00 0.00 C ATOM 605 C GLU A 38 -10.008 2.563 -22.341 1.00 0.00 C ATOM 606 O GLU A 38 -9.262 2.397 -21.373 1.00 0.00 O ATOM 607 CB GLU A 38 -12.265 3.611 -22.139 1.00 0.00 C ATOM 608 CG GLU A 38 -12.499 3.472 -20.648 1.00 0.00 C ATOM 609 CD GLU A 38 -12.297 4.776 -19.918 1.00 0.00 C ATOM 610 OE1 GLU A 38 -11.136 5.147 -19.658 1.00 0.00 O ATOM 611 OE2 GLU A 38 -13.301 5.448 -19.611 1.00 0.00 O1- ATOM 0 H GLU A 38 -11.609 4.300 -24.394 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.387 4.622 -21.872 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.867 4.438 -22.515 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.617 2.708 -22.638 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.513 3.112 -20.473 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.820 2.722 -20.243 1.00 0.00 H new ATOM 618 N ILE A 39 -10.162 1.672 -23.307 1.00 0.00 N ATOM 619 CA ILE A 39 -9.475 0.395 -23.301 1.00 0.00 C ATOM 620 C ILE A 39 -7.970 0.594 -23.432 1.00 0.00 C ATOM 621 O ILE A 39 -7.196 0.011 -22.680 1.00 0.00 O ATOM 622 CB ILE A 39 -9.986 -0.528 -24.432 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.449 -0.887 -24.184 1.00 0.00 C ATOM 624 CG2 ILE A 39 -9.133 -1.790 -24.536 1.00 0.00 C ATOM 625 CD1 ILE A 39 -12.044 -1.787 -25.235 1.00 0.00 C ATOM 0 H ILE A 39 -10.767 1.815 -24.116 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.688 -0.087 -22.347 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.907 0.005 -25.379 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.534 -1.374 -23.213 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.034 0.031 -24.132 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.514 -2.421 -25.339 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.100 -1.515 -24.750 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.175 -2.336 -23.594 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.085 -1.996 -24.988 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.993 -1.295 -26.206 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.485 -2.722 -25.272 1.00 0.00 H new ATOM 637 N GLU A 40 -7.569 1.433 -24.378 1.00 0.00 N ATOM 638 CA GLU A 40 -6.159 1.731 -24.613 1.00 0.00 C ATOM 639 C GLU A 40 -5.500 2.272 -23.339 1.00 0.00 C ATOM 640 O GLU A 40 -4.390 1.868 -22.986 1.00 0.00 O ATOM 641 CB GLU A 40 -6.049 2.747 -25.766 1.00 0.00 C ATOM 642 CG GLU A 40 -4.725 2.731 -26.524 1.00 0.00 C ATOM 643 CD GLU A 40 -3.577 3.329 -25.745 1.00 0.00 C ATOM 644 OE1 GLU A 40 -3.619 4.533 -25.456 1.00 0.00 O ATOM 645 OE2 GLU A 40 -2.612 2.605 -25.453 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.208 1.925 -25.003 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.634 0.817 -24.889 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.856 2.558 -26.474 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.206 3.748 -25.363 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.478 1.702 -26.787 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.844 3.279 -27.459 1.00 0.00 H new ATOM 652 N GLU A 41 -6.195 3.152 -22.632 1.00 0.00 N ATOM 653 CA GLU A 41 -5.664 3.699 -21.393 1.00 0.00 C ATOM 654 C GLU A 41 -5.597 2.629 -20.305 1.00 0.00 C ATOM 655 O GLU A 41 -4.676 2.625 -19.487 1.00 0.00 O ATOM 656 CB GLU A 41 -6.474 4.902 -20.924 1.00 0.00 C ATOM 657 CG GLU A 41 -6.358 6.105 -21.839 1.00 0.00 C ATOM 658 CD GLU A 41 -6.962 7.344 -21.233 1.00 0.00 C ATOM 659 OE1 GLU A 41 -8.168 7.577 -21.418 1.00 0.00 O ATOM 660 OE2 GLU A 41 -6.237 8.089 -20.555 1.00 0.00 O1- ATOM 0 H GLU A 41 -7.118 3.499 -22.892 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.649 4.041 -21.593 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.523 4.615 -20.846 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.145 5.184 -19.924 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.307 6.288 -22.063 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.853 5.888 -22.786 1.00 0.00 H new ATOM 667 N LEU A 42 -6.562 1.706 -20.310 1.00 0.00 N ATOM 668 CA LEU A 42 -6.584 0.611 -19.346 1.00 0.00 C ATOM 669 C LEU A 42 -5.390 -0.299 -19.566 1.00 0.00 C ATOM 670 O LEU A 42 -4.837 -0.856 -18.617 1.00 0.00 O ATOM 671 CB LEU A 42 -7.885 -0.198 -19.445 1.00 0.00 C ATOM 672 CG LEU A 42 -9.155 0.500 -18.949 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.375 -0.370 -19.202 1.00 0.00 C ATOM 674 CD2 LEU A 42 -9.041 0.832 -17.465 1.00 0.00 C ATOM 0 H LEU A 42 -7.337 1.698 -20.973 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.532 1.043 -18.347 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.034 -0.481 -20.487 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.758 -1.121 -18.879 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.271 1.431 -19.504 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.268 0.142 -18.843 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.471 -0.560 -20.271 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.263 -1.317 -18.674 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.953 1.327 -17.132 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.899 -0.087 -16.896 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.190 1.493 -17.304 1.00 0.00 H new ATOM 686 N ILE A 43 -4.996 -0.445 -20.830 1.00 0.00 N ATOM 687 CA ILE A 43 -3.866 -1.284 -21.191 1.00 0.00 C ATOM 688 C ILE A 43 -2.611 -0.771 -20.517 1.00 0.00 C ATOM 689 O ILE A 43 -1.863 -1.538 -19.915 1.00 0.00 O ATOM 690 CB ILE A 43 -3.631 -1.298 -22.729 1.00 0.00 C ATOM 691 CG1 ILE A 43 -4.847 -1.870 -23.458 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.374 -2.091 -23.084 1.00 0.00 C ATOM 693 CD1 ILE A 43 -5.202 -3.274 -23.039 1.00 0.00 C ATOM 0 H ILE A 43 -5.449 0.012 -21.622 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.092 -2.298 -20.861 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.487 -0.268 -23.054 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.704 -1.220 -23.281 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.655 -1.859 -24.531 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.233 -2.085 -24.165 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.509 -1.636 -22.603 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.482 -3.119 -22.738 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.074 -3.611 -23.599 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.362 -3.938 -23.242 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.427 -3.289 -21.973 1.00 0.00 H new ATOM 705 N GLN A 44 -2.406 0.534 -20.596 1.00 0.00 N ATOM 706 CA GLN A 44 -1.239 1.170 -20.002 1.00 0.00 C ATOM 707 C GLN A 44 -1.238 0.997 -18.482 1.00 0.00 C ATOM 708 O GLN A 44 -0.214 0.676 -17.885 1.00 0.00 O ATOM 709 CB GLN A 44 -1.206 2.658 -20.362 1.00 0.00 C ATOM 710 CG GLN A 44 -1.242 2.931 -21.860 1.00 0.00 C ATOM 711 CD GLN A 44 -1.143 4.409 -22.189 1.00 0.00 C ATOM 712 OE1 GLN A 44 -0.513 5.180 -21.462 1.00 0.00 O ATOM 713 NE2 GLN A 44 -1.761 4.815 -23.278 1.00 0.00 N ATOM 0 H GLN A 44 -3.038 1.179 -21.070 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.348 0.688 -20.403 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.055 3.155 -19.892 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.304 3.103 -19.943 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.421 2.400 -22.342 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.167 2.532 -22.276 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.272 4.146 -23.854 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.729 5.799 -23.546 1.00 0.00 H new ATOM 722 N LYS A 45 -2.405 1.179 -17.871 1.00 0.00 N ATOM 723 CA LYS A 45 -2.552 1.070 -16.417 1.00 0.00 C ATOM 724 C LYS A 45 -2.293 -0.359 -15.937 1.00 0.00 C ATOM 725 O LYS A 45 -1.720 -0.575 -14.871 1.00 0.00 O ATOM 726 CB LYS A 45 -3.959 1.504 -15.996 1.00 0.00 C ATOM 727 CG LYS A 45 -4.289 2.951 -16.338 1.00 0.00 C ATOM 728 CD LYS A 45 -5.752 3.277 -16.050 1.00 0.00 C ATOM 729 CE LYS A 45 -6.088 3.145 -14.568 1.00 0.00 C ATOM 730 NZ LYS A 45 -5.328 4.112 -13.735 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.270 1.404 -18.362 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.813 1.726 -15.958 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.688 0.852 -16.477 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.065 1.362 -14.921 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.647 3.617 -15.762 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.075 3.134 -17.391 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.969 4.293 -16.381 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.392 2.610 -16.627 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.157 3.304 -14.423 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.869 2.130 -14.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.694 4.095 -12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.321 3.851 -13.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.436 5.069 -14.128 1.00 0.00 H new ATOM 744 N HIS A 46 -2.704 -1.324 -16.738 1.00 0.00 N ATOM 745 CA HIS A 46 -2.549 -2.729 -16.397 1.00 0.00 C ATOM 746 C HIS A 46 -1.107 -3.162 -16.649 1.00 0.00 C ATOM 747 O HIS A 46 -0.503 -3.869 -15.843 1.00 0.00 O ATOM 748 CB HIS A 46 -3.537 -3.563 -17.231 1.00 0.00 C ATOM 749 CG HIS A 46 -3.523 -5.045 -16.970 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.958 -5.616 -15.793 1.00 0.00 N ATOM 751 CD2 HIS A 46 -3.173 -6.073 -17.775 1.00 0.00 C ATOM 752 CE1 HIS A 46 -3.876 -6.932 -15.890 1.00 0.00 C ATOM 753 NE2 HIS A 46 -3.403 -7.240 -17.086 1.00 0.00 N ATOM 0 H HIS A 46 -3.153 -1.159 -17.639 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.769 -2.887 -15.341 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.544 -3.190 -17.047 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.323 -3.397 -18.287 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.291 -5.104 -14.976 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.783 -5.992 -18.779 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.150 -7.638 -15.120 1.00 0.00 H new ATOM 761 N ARG A 47 -0.573 -2.725 -17.786 1.00 0.00 N ATOM 762 CA ARG A 47 0.799 -3.024 -18.194 1.00 0.00 C ATOM 763 C ARG A 47 1.827 -2.493 -17.187 1.00 0.00 C ATOM 764 O ARG A 47 2.768 -3.201 -16.822 1.00 0.00 O ATOM 765 CB ARG A 47 1.068 -2.407 -19.580 1.00 0.00 C ATOM 766 CG ARG A 47 2.476 -2.631 -20.100 1.00 0.00 C ATOM 767 CD ARG A 47 2.699 -4.077 -20.490 1.00 0.00 C ATOM 768 NE ARG A 47 4.107 -4.439 -20.419 1.00 0.00 N ATOM 769 CZ ARG A 47 4.703 -5.353 -21.182 1.00 0.00 C ATOM 770 NH1 ARG A 47 4.036 -5.948 -22.169 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 5.975 -5.657 -20.962 1.00 0.00 N ATOM 0 H ARG A 47 -1.083 -2.149 -18.456 1.00 0.00 H new ATOM 0 HA ARG A 47 0.906 -4.108 -18.235 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.359 -2.824 -20.295 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.878 -1.335 -19.531 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.653 -1.989 -20.963 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.198 -2.344 -19.335 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.122 -4.726 -19.831 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.331 -4.243 -21.502 1.00 0.00 H new ATOM 0 HE ARG A 47 4.683 -3.954 -19.730 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.061 -5.705 -22.345 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.500 -6.647 -22.749 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.488 -5.192 -20.213 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.440 -6.356 -21.541 1.00 0.00 H new ATOM 785 N GLN A 48 1.623 -1.267 -16.722 1.00 0.00 N ATOM 786 CA GLN A 48 2.575 -0.619 -15.824 1.00 0.00 C ATOM 787 C GLN A 48 2.818 -1.401 -14.546 1.00 0.00 C ATOM 788 O GLN A 48 3.966 -1.572 -14.134 1.00 0.00 O ATOM 789 CB GLN A 48 2.130 0.803 -15.490 1.00 0.00 C ATOM 790 CG GLN A 48 2.578 1.837 -16.507 1.00 0.00 C ATOM 791 CD GLN A 48 4.090 1.918 -16.610 1.00 0.00 C ATOM 792 OE1 GLN A 48 4.734 2.670 -15.878 1.00 0.00 O ATOM 793 NE2 GLN A 48 4.664 1.156 -17.518 1.00 0.00 N ATOM 0 H GLN A 48 0.807 -0.700 -16.951 1.00 0.00 H new ATOM 0 HA GLN A 48 3.522 -0.586 -16.363 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.043 0.826 -15.416 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.522 1.076 -14.510 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.161 1.589 -17.483 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.181 2.814 -16.230 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.095 0.546 -18.105 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.677 1.176 -17.634 1.00 0.00 H new ATOM 802 N LEU A 49 1.764 -1.917 -13.938 1.00 0.00 N ATOM 803 CA LEU A 49 1.890 -2.639 -12.677 1.00 0.00 C ATOM 804 C LEU A 49 2.729 -3.907 -12.834 1.00 0.00 C ATOM 805 O LEU A 49 3.384 -4.359 -11.881 1.00 0.00 O ATOM 806 CB LEU A 49 0.501 -2.983 -12.154 1.00 0.00 C ATOM 807 CG LEU A 49 -0.380 -1.778 -11.814 1.00 0.00 C ATOM 808 CD1 LEU A 49 -1.809 -2.213 -11.575 1.00 0.00 C ATOM 809 CD2 LEU A 49 0.161 -1.046 -10.599 1.00 0.00 C ATOM 0 H LEU A 49 0.810 -1.851 -14.294 1.00 0.00 H new ATOM 0 HA LEU A 49 2.405 -1.997 -11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.012 -3.590 -12.900 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.608 -3.599 -11.261 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.365 -1.095 -12.663 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.419 -1.342 -11.335 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.198 -2.692 -12.473 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.841 -2.918 -10.745 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.479 -0.193 -10.373 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.178 -1.723 -9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.173 -0.696 -10.805 1.00 0.00 H new ATOM 821 N PHE A 50 2.713 -4.475 -14.027 1.00 0.00 N ATOM 822 CA PHE A 50 3.479 -5.674 -14.307 1.00 0.00 C ATOM 823 C PHE A 50 4.958 -5.337 -14.536 1.00 0.00 C ATOM 824 O PHE A 50 5.848 -6.071 -14.096 1.00 0.00 O ATOM 825 CB PHE A 50 2.906 -6.411 -15.524 1.00 0.00 C ATOM 826 CG PHE A 50 3.677 -7.648 -15.899 1.00 0.00 C ATOM 827 CD1 PHE A 50 3.648 -8.772 -15.087 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.430 -7.686 -17.063 1.00 0.00 C ATOM 829 CE1 PHE A 50 4.355 -9.910 -15.429 1.00 0.00 C ATOM 830 CE2 PHE A 50 5.138 -8.821 -17.409 1.00 0.00 C ATOM 831 CZ PHE A 50 5.101 -9.934 -16.591 1.00 0.00 C ATOM 0 H PHE A 50 2.176 -4.123 -14.819 1.00 0.00 H new ATOM 0 HA PHE A 50 3.407 -6.329 -13.439 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.872 -6.687 -15.317 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.890 -5.731 -16.376 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.066 -8.758 -14.177 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.463 -6.819 -17.706 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.324 -10.779 -14.788 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.720 -8.838 -18.319 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.655 -10.821 -16.860 1.00 0.00 H new ATOM 841 N ASP A 51 5.210 -4.198 -15.180 1.00 0.00 N ATOM 842 CA ASP A 51 6.580 -3.807 -15.543 1.00 0.00 C ATOM 843 C ASP A 51 7.331 -3.230 -14.357 1.00 0.00 C ATOM 844 O ASP A 51 8.560 -3.282 -14.312 1.00 0.00 O ATOM 845 CB ASP A 51 6.597 -2.795 -16.697 1.00 0.00 C ATOM 846 CG ASP A 51 6.216 -3.394 -18.035 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.858 -4.385 -18.467 1.00 0.00 O ATOM 848 OD2 ASP A 51 5.301 -2.865 -18.680 1.00 0.00 O1- ATOM 0 H ASP A 51 4.492 -3.531 -15.461 1.00 0.00 H new ATOM 0 HA ASP A 51 7.082 -4.718 -15.869 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.911 -1.980 -16.465 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.594 -2.361 -16.773 1.00 0.00 H new ATOM 853 N ASN A 52 6.587 -2.659 -13.416 1.00 0.00 N ATOM 854 CA ASN A 52 7.165 -2.035 -12.212 1.00 0.00 C ATOM 855 C ASN A 52 8.229 -2.903 -11.538 1.00 0.00 C ATOM 856 O ASN A 52 9.346 -2.449 -11.301 1.00 0.00 O ATOM 857 CB ASN A 52 6.072 -1.677 -11.193 1.00 0.00 C ATOM 858 CG ASN A 52 5.231 -0.493 -11.624 1.00 0.00 C ATOM 859 OD1 ASN A 52 5.691 0.369 -12.367 1.00 0.00 O ATOM 860 ND2 ASN A 52 4.002 -0.433 -11.148 1.00 0.00 N ATOM 0 H ASN A 52 5.569 -2.611 -13.458 1.00 0.00 H new ATOM 0 HA ASN A 52 7.655 -1.124 -12.557 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.425 -2.541 -11.043 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.536 -1.456 -10.232 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.397 0.350 -11.395 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.657 -1.170 -10.533 1.00 0.00 H new ATOM 867 N ARG A 53 7.892 -4.150 -11.247 1.00 0.00 N ATOM 868 CA ARG A 53 8.824 -5.029 -10.519 1.00 0.00 C ATOM 869 C ARG A 53 8.742 -6.480 -10.959 1.00 0.00 C ATOM 870 O ARG A 53 9.617 -7.274 -10.613 1.00 0.00 O ATOM 871 CB ARG A 53 8.579 -4.943 -9.003 1.00 0.00 C ATOM 872 CG ARG A 53 9.024 -3.634 -8.354 1.00 0.00 C ATOM 873 CD ARG A 53 10.546 -3.538 -8.235 1.00 0.00 C ATOM 874 NE ARG A 53 11.223 -3.471 -9.538 1.00 0.00 N ATOM 875 CZ ARG A 53 12.529 -3.707 -9.721 1.00 0.00 C ATOM 876 NH1 ARG A 53 13.310 -3.983 -8.681 1.00 0.00 N1+ ATOM 877 NH2 ARG A 53 13.053 -3.652 -10.941 1.00 0.00 N ATOM 0 H ARG A 53 7.000 -4.580 -11.493 1.00 0.00 H new ATOM 0 HA ARG A 53 9.825 -4.670 -10.758 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.515 -5.083 -8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.100 -5.768 -8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.653 -2.794 -8.942 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.578 -3.551 -7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.804 -2.654 -7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.917 -4.402 -7.684 1.00 0.00 H new ATOM 0 HE ARG A 53 10.663 -3.229 -10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.915 -4.015 -7.741 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.304 -4.162 -8.823 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.461 -3.430 -11.741 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.048 -3.832 -11.077 1.00 0.00 H new ATOM 891 N GLN A 54 7.700 -6.824 -11.728 1.00 0.00 N ATOM 892 CA GLN A 54 7.462 -8.215 -12.156 1.00 0.00 C ATOM 893 C GLN A 54 7.120 -9.104 -10.951 1.00 0.00 C ATOM 894 O GLN A 54 7.474 -8.797 -9.815 1.00 0.00 O ATOM 895 CB GLN A 54 8.673 -8.788 -12.906 1.00 0.00 C ATOM 896 CG GLN A 54 9.055 -8.018 -14.160 1.00 0.00 C ATOM 897 CD GLN A 54 10.279 -8.597 -14.834 1.00 0.00 C ATOM 898 OE1 GLN A 54 10.534 -9.795 -14.753 1.00 0.00 O ATOM 899 NE2 GLN A 54 11.041 -7.758 -15.501 1.00 0.00 N ATOM 0 H GLN A 54 7.006 -6.159 -12.068 1.00 0.00 H new ATOM 0 HA GLN A 54 6.613 -8.205 -12.840 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.528 -8.806 -12.231 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.460 -9.822 -13.179 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.219 -8.027 -14.859 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.243 -6.976 -13.902 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.794 -6.769 -15.544 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.879 -8.096 -15.975 1.00 0.00 H new ATOM 908 N GLU A 55 6.427 -10.198 -11.202 1.00 0.00 N ATOM 909 CA GLU A 55 6.030 -11.113 -10.131 1.00 0.00 C ATOM 910 C GLU A 55 6.038 -12.543 -10.632 1.00 0.00 C ATOM 911 O GLU A 55 5.292 -13.390 -10.131 1.00 0.00 O ATOM 912 CB GLU A 55 4.638 -10.749 -9.600 1.00 0.00 C ATOM 913 CG GLU A 55 4.583 -9.410 -8.886 1.00 0.00 C ATOM 914 CD GLU A 55 3.203 -9.066 -8.402 1.00 0.00 C ATOM 915 OE1 GLU A 55 2.887 -9.373 -7.244 1.00 0.00 O ATOM 916 OE2 GLU A 55 2.430 -8.475 -9.186 1.00 0.00 O1- ATOM 0 H GLU A 55 6.124 -10.481 -12.134 1.00 0.00 H new ATOM 0 HA GLU A 55 6.748 -11.021 -9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.934 -10.735 -10.432 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.306 -11.529 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.267 -9.427 -8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.932 -8.629 -9.561 1.00 0.00 H new ATOM 923 N ALA A 56 6.907 -12.802 -11.614 1.00 0.00 N ATOM 924 CA ALA A 56 7.048 -14.119 -12.242 1.00 0.00 C ATOM 925 C ALA A 56 5.780 -14.522 -12.989 1.00 0.00 C ATOM 926 O ALA A 56 5.692 -14.338 -14.207 1.00 0.00 O ATOM 927 CB ALA A 56 7.445 -15.183 -11.221 1.00 0.00 C ATOM 0 H ALA A 56 7.537 -12.098 -11.998 1.00 0.00 H new ATOM 0 HA ALA A 56 7.852 -14.044 -12.974 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.541 -16.148 -11.719 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.398 -14.913 -10.766 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.680 -15.249 -10.448 1.00 0.00 H new ATOM 933 N ALA A 57 4.801 -15.046 -12.241 1.00 0.00 N ATOM 934 CA ALA A 57 3.514 -15.494 -12.779 1.00 0.00 C ATOM 935 C ALA A 57 3.677 -16.614 -13.809 1.00 0.00 C ATOM 936 O ALA A 57 3.550 -17.799 -13.478 1.00 0.00 O ATOM 937 CB ALA A 57 2.722 -14.322 -13.360 1.00 0.00 C ATOM 0 H ALA A 57 4.883 -15.172 -11.232 1.00 0.00 H new ATOM 0 HA ALA A 57 2.946 -15.908 -11.945 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.772 -14.684 -13.752 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.535 -13.586 -12.578 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.294 -13.860 -14.165 1.00 0.00 H new ATOM 943 N ASP A 58 3.985 -16.237 -15.039 1.00 0.00 N ATOM 944 CA ASP A 58 4.144 -17.185 -16.126 1.00 0.00 C ATOM 945 C ASP A 58 4.740 -16.475 -17.339 1.00 0.00 C ATOM 946 O ASP A 58 4.312 -15.371 -17.688 1.00 0.00 O ATOM 947 CB ASP A 58 2.786 -17.806 -16.485 1.00 0.00 C ATOM 948 CG ASP A 58 2.907 -18.959 -17.448 1.00 0.00 C ATOM 949 OD1 ASP A 58 3.062 -18.716 -18.648 1.00 0.00 O ATOM 950 OD2 ASP A 58 2.853 -20.121 -17.001 1.00 0.00 O1- ATOM 0 H ASP A 58 4.132 -15.265 -15.311 1.00 0.00 H new ATOM 0 HA ASP A 58 4.818 -17.983 -15.814 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.297 -18.150 -15.574 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.145 -17.040 -16.921 1.00 0.00 H new ATOM 955 N THR A 59 5.722 -17.098 -17.973 1.00 0.00 N ATOM 956 CA THR A 59 6.383 -16.499 -19.122 1.00 0.00 C ATOM 957 C THR A 59 5.485 -16.553 -20.355 1.00 0.00 C ATOM 958 O THR A 59 5.368 -15.573 -21.094 1.00 0.00 O ATOM 959 CB THR A 59 7.723 -17.203 -19.423 1.00 0.00 C ATOM 960 OG1 THR A 59 8.587 -17.104 -18.276 1.00 0.00 O ATOM 961 CG2 THR A 59 8.408 -16.576 -20.633 1.00 0.00 C ATOM 0 H THR A 59 6.078 -18.017 -17.711 1.00 0.00 H new ATOM 0 HA THR A 59 6.584 -15.456 -18.876 1.00 0.00 H new ATOM 0 HB THR A 59 7.520 -18.251 -19.645 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.437 -17.553 -18.467 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.350 -17.090 -20.825 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.761 -16.667 -21.505 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.603 -15.522 -20.435 1.00 0.00 H new ATOM 969 N GLU A 60 4.841 -17.691 -20.554 1.00 0.00 N ATOM 970 CA GLU A 60 3.946 -17.888 -21.679 1.00 0.00 C ATOM 971 C GLU A 60 2.784 -16.901 -21.600 1.00 0.00 C ATOM 972 O GLU A 60 2.366 -16.331 -22.610 1.00 0.00 O ATOM 973 CB GLU A 60 3.429 -19.331 -21.685 1.00 0.00 C ATOM 974 CG GLU A 60 2.655 -19.709 -22.928 1.00 0.00 C ATOM 975 CD GLU A 60 3.455 -19.494 -24.189 1.00 0.00 C ATOM 976 OE1 GLU A 60 2.952 -18.826 -25.105 1.00 0.00 O ATOM 977 OE2 GLU A 60 4.597 -19.991 -24.271 1.00 0.00 O1- ATOM 0 H GLU A 60 4.924 -18.502 -19.941 1.00 0.00 H new ATOM 0 HA GLU A 60 4.489 -17.709 -22.607 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.276 -20.009 -21.578 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.790 -19.480 -20.814 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.357 -20.756 -22.863 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.739 -19.119 -22.976 1.00 0.00 H new ATOM 984 N ALA A 61 2.284 -16.691 -20.388 1.00 0.00 N ATOM 985 CA ALA A 61 1.207 -15.739 -20.157 1.00 0.00 C ATOM 986 C ALA A 61 1.650 -14.333 -20.537 1.00 0.00 C ATOM 987 O ALA A 61 0.913 -13.597 -21.191 1.00 0.00 O ATOM 988 CB ALA A 61 0.757 -15.778 -18.706 1.00 0.00 C ATOM 0 H ALA A 61 2.609 -17.170 -19.548 1.00 0.00 H new ATOM 0 HA ALA A 61 0.362 -16.020 -20.786 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.048 -15.059 -18.555 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.400 -16.779 -18.462 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.596 -15.524 -18.058 1.00 0.00 H new ATOM 994 N ALA A 62 2.865 -13.967 -20.129 1.00 0.00 N ATOM 995 CA ALA A 62 3.424 -12.662 -20.456 1.00 0.00 C ATOM 996 C ALA A 62 3.617 -12.520 -21.963 1.00 0.00 C ATOM 997 O ALA A 62 3.366 -11.457 -22.533 1.00 0.00 O ATOM 998 CB ALA A 62 4.743 -12.451 -19.726 1.00 0.00 C ATOM 0 H ALA A 62 3.479 -14.559 -19.571 1.00 0.00 H new ATOM 0 HA ALA A 62 2.721 -11.896 -20.129 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.147 -11.471 -19.981 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.576 -12.506 -18.650 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.451 -13.225 -20.023 1.00 0.00 H new ATOM 1004 N LYS A 63 4.061 -13.600 -22.603 1.00 0.00 N ATOM 1005 CA LYS A 63 4.242 -13.614 -24.051 1.00 0.00 C ATOM 1006 C LYS A 63 2.918 -13.387 -24.764 1.00 0.00 C ATOM 1007 O LYS A 63 2.848 -12.607 -25.714 1.00 0.00 O ATOM 1008 CB LYS A 63 4.870 -14.929 -24.518 1.00 0.00 C ATOM 1009 CG LYS A 63 6.325 -15.096 -24.106 1.00 0.00 C ATOM 1010 CD LYS A 63 6.945 -16.342 -24.725 1.00 0.00 C ATOM 1011 CE LYS A 63 6.983 -16.262 -26.251 1.00 0.00 C ATOM 1012 NZ LYS A 63 7.721 -15.067 -26.731 1.00 0.00 N1+ ATOM 0 H LYS A 63 4.302 -14.477 -22.140 1.00 0.00 H new ATOM 0 HA LYS A 63 4.921 -12.800 -24.305 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.291 -15.760 -24.116 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.801 -14.988 -25.604 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.893 -14.217 -24.411 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.391 -15.158 -23.020 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.958 -16.472 -24.343 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.375 -17.220 -24.422 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.453 -17.161 -26.649 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.964 -16.237 -26.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.898 -15.155 -27.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.155 -14.214 -26.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.628 -14.994 -26.227 1.00 0.00 H new ATOM 1026 N GLN A 64 1.869 -14.058 -24.297 1.00 0.00 N ATOM 1027 CA GLN A 64 0.528 -13.870 -24.856 1.00 0.00 C ATOM 1028 C GLN A 64 0.060 -12.447 -24.604 1.00 0.00 C ATOM 1029 O GLN A 64 -0.691 -11.875 -25.391 1.00 0.00 O ATOM 1030 CB GLN A 64 -0.467 -14.841 -24.233 1.00 0.00 C ATOM 1031 CG GLN A 64 -0.248 -16.296 -24.591 1.00 0.00 C ATOM 1032 CD GLN A 64 -1.311 -17.196 -23.987 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -1.834 -16.806 -22.837 1.00 0.00 O flip ATOM 1034 NE2 GLN A 64 -1.660 -18.227 -24.547 1.00 0.00 N flip ATOM 0 H GLN A 64 1.918 -14.735 -23.536 1.00 0.00 H new ATOM 0 HA GLN A 64 0.579 -14.062 -25.928 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.423 -14.738 -23.149 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.473 -14.554 -24.539 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.252 -16.407 -25.675 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.735 -16.611 -24.242 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.233 -18.495 -25.434 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.377 -18.818 -24.127 1.00 0.00 H new ATOM 1043 N GLY A 65 0.528 -11.889 -23.501 1.00 0.00 N ATOM 1044 CA GLY A 65 0.184 -10.535 -23.148 1.00 0.00 C ATOM 1045 C GLY A 65 0.709 -9.565 -24.175 1.00 0.00 C ATOM 1046 O GLY A 65 -0.020 -8.692 -24.647 1.00 0.00 O ATOM 0 H GLY A 65 1.146 -12.358 -22.839 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.899 -10.439 -23.070 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.597 -10.294 -22.169 1.00 0.00 H new ATOM 1050 N ASP A 66 1.979 -9.730 -24.533 1.00 0.00 N ATOM 1051 CA ASP A 66 2.601 -8.910 -25.569 1.00 0.00 C ATOM 1052 C ASP A 66 1.918 -9.127 -26.909 1.00 0.00 C ATOM 1053 O ASP A 66 1.711 -8.181 -27.672 1.00 0.00 O ATOM 1054 CB ASP A 66 4.098 -9.217 -25.696 1.00 0.00 C ATOM 1055 CG ASP A 66 4.900 -8.755 -24.500 1.00 0.00 C ATOM 1056 OD1 ASP A 66 4.813 -7.561 -24.141 1.00 0.00 O ATOM 1057 OD2 ASP A 66 5.637 -9.580 -23.920 1.00 0.00 O1- ATOM 0 H ASP A 66 2.600 -10.426 -24.120 1.00 0.00 H new ATOM 0 HA ASP A 66 2.485 -7.867 -25.275 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.233 -10.291 -25.824 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.487 -8.737 -26.594 1.00 0.00 H new ATOM 1062 N GLN A 67 1.555 -10.380 -27.188 1.00 0.00 N ATOM 1063 CA GLN A 67 0.878 -10.719 -28.438 1.00 0.00 C ATOM 1064 C GLN A 67 -0.456 -10.000 -28.536 1.00 0.00 C ATOM 1065 O GLN A 67 -0.795 -9.444 -29.577 1.00 0.00 O ATOM 1066 CB GLN A 67 0.632 -12.227 -28.539 1.00 0.00 C ATOM 1067 CG GLN A 67 1.884 -13.076 -28.597 1.00 0.00 C ATOM 1068 CD GLN A 67 1.565 -14.556 -28.705 1.00 0.00 C ATOM 1069 OE1 GLN A 67 0.537 -15.023 -28.210 1.00 0.00 O ATOM 1070 NE2 GLN A 67 2.437 -15.298 -29.348 1.00 0.00 N ATOM 0 H GLN A 67 1.718 -11.173 -26.567 1.00 0.00 H new ATOM 0 HA GLN A 67 1.527 -10.404 -29.255 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.037 -12.541 -27.681 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.036 -12.424 -29.430 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.488 -12.772 -29.452 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.483 -12.899 -27.704 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.276 -14.873 -29.743 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.276 -16.300 -29.452 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.194 -9.990 -27.436 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.509 -9.377 -27.405 1.00 0.00 C ATOM 1081 C TRP A 68 -2.393 -7.872 -27.627 1.00 0.00 C ATOM 1082 O TRP A 68 -3.213 -7.274 -28.317 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.223 -9.680 -26.082 1.00 0.00 C ATOM 1084 CG TRP A 68 -4.681 -9.320 -26.094 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -5.716 -10.156 -26.391 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.269 -8.045 -25.808 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -6.907 -9.485 -26.312 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -6.663 -8.188 -25.956 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -4.757 -6.801 -25.445 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -7.546 -7.134 -25.753 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -5.633 -5.758 -25.244 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.014 -5.928 -25.397 1.00 0.00 C ATOM 0 H TRP A 68 -0.901 -10.402 -26.550 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.107 -9.802 -28.211 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.121 -10.742 -25.857 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.729 -9.135 -25.278 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.611 -11.199 -26.651 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -7.827 -9.888 -26.490 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.693 -6.658 -25.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -8.612 -7.264 -25.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.247 -4.789 -24.963 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -7.672 -5.088 -25.230 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.349 -7.270 -27.057 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.127 -5.834 -27.206 1.00 0.00 C ATOM 1105 C VAL A 69 -0.862 -5.507 -28.665 1.00 0.00 C ATOM 1106 O VAL A 69 -1.392 -4.536 -29.206 1.00 0.00 O ATOM 1107 CB VAL A 69 0.063 -5.328 -26.352 1.00 0.00 C ATOM 1108 CG1 VAL A 69 0.346 -3.852 -26.643 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.219 -5.531 -24.870 1.00 0.00 C ATOM 0 H VAL A 69 -0.649 -7.751 -26.492 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.028 -5.331 -26.855 1.00 0.00 H new ATOM 0 HB VAL A 69 0.946 -5.908 -26.619 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.185 -3.515 -26.034 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.592 -3.730 -27.698 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.537 -3.258 -26.405 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.627 -5.170 -24.286 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.115 -4.977 -24.591 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.371 -6.592 -24.671 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.058 -6.345 -29.307 1.00 0.00 N ATOM 1120 CA GLN A 70 0.274 -6.173 -30.692 1.00 0.00 C ATOM 1121 C GLN A 70 -0.967 -6.363 -31.556 1.00 0.00 C ATOM 1122 O GLN A 70 -1.219 -5.588 -32.472 1.00 0.00 O ATOM 1123 CB GLN A 70 1.363 -7.163 -31.088 1.00 0.00 C ATOM 1124 CG GLN A 70 1.779 -7.063 -32.533 1.00 0.00 C ATOM 1125 CD GLN A 70 2.932 -7.983 -32.873 1.00 0.00 C ATOM 1126 OE1 GLN A 70 3.100 -9.041 -32.266 1.00 0.00 O ATOM 1127 NE2 GLN A 70 3.733 -7.591 -33.839 1.00 0.00 N ATOM 0 H GLN A 70 0.376 -7.159 -28.871 1.00 0.00 H new ATOM 0 HA GLN A 70 0.649 -5.162 -30.849 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.236 -7.000 -30.456 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.010 -8.175 -30.890 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.928 -7.303 -33.170 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.063 -6.034 -32.755 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.560 -6.707 -34.318 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.527 -8.171 -34.110 1.00 0.00 H new ATOM 1136 N LEU A 71 -1.748 -7.388 -31.241 1.00 0.00 N ATOM 1137 CA LEU A 71 -2.982 -7.670 -31.963 1.00 0.00 C ATOM 1138 C LEU A 71 -3.970 -6.521 -31.803 1.00 0.00 C ATOM 1139 O LEU A 71 -4.632 -6.127 -32.758 1.00 0.00 O ATOM 1140 CB LEU A 71 -3.608 -8.970 -31.453 1.00 0.00 C ATOM 1141 CG LEU A 71 -2.850 -10.256 -31.776 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -3.346 -11.394 -30.898 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -3.022 -10.613 -33.241 1.00 0.00 C ATOM 0 H LEU A 71 -1.547 -8.042 -30.485 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.743 -7.781 -33.021 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.714 -8.898 -30.371 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.613 -9.052 -31.867 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.791 -10.096 -31.576 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.797 -12.305 -31.138 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.187 -11.141 -29.850 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.410 -11.553 -31.075 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.477 -11.532 -33.458 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.080 -10.759 -33.458 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.633 -9.805 -33.861 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.056 -5.983 -30.590 1.00 0.00 N ATOM 1156 CA PHE A 72 -4.939 -4.857 -30.316 1.00 0.00 C ATOM 1157 C PHE A 72 -4.455 -3.635 -31.071 1.00 0.00 C ATOM 1158 O PHE A 72 -5.250 -2.852 -31.580 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.008 -4.557 -28.812 1.00 0.00 C ATOM 1160 CG PHE A 72 -5.896 -3.386 -28.468 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.272 -3.541 -28.394 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -5.355 -2.130 -28.223 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -8.088 -2.471 -28.082 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -6.168 -1.058 -27.911 1.00 0.00 C ATOM 1165 CZ PHE A 72 -7.536 -1.228 -27.841 1.00 0.00 C ATOM 0 H PHE A 72 -3.525 -6.309 -29.783 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.943 -5.118 -30.651 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.371 -5.442 -28.290 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.002 -4.359 -28.443 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.711 -4.510 -28.583 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.285 -1.990 -28.277 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.158 -2.606 -28.026 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.734 -0.087 -27.722 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.174 -0.391 -27.598 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.144 -3.478 -31.131 1.00 0.00 N ATOM 1176 CA GLN A 73 -2.533 -2.392 -31.851 1.00 0.00 C ATOM 1177 C GLN A 73 -2.883 -2.500 -33.341 1.00 0.00 C ATOM 1178 O GLN A 73 -3.242 -1.513 -33.975 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.023 -2.440 -31.637 1.00 0.00 C ATOM 1180 CG GLN A 73 -0.311 -1.150 -31.948 1.00 0.00 C ATOM 1181 CD GLN A 73 -0.837 0.017 -31.133 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -1.747 0.726 -31.556 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -0.274 0.214 -29.959 1.00 0.00 N ATOM 0 H GLN A 73 -2.479 -4.105 -30.679 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.909 -1.437 -31.483 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.823 -2.711 -30.600 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.605 -3.231 -32.259 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.755 -1.272 -31.755 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.420 -0.926 -33.009 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.479 -0.398 -29.645 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.591 0.979 -29.363 1.00 0.00 H new ATOM 1192 N ARG A 74 -2.794 -3.720 -33.877 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.163 -3.987 -35.273 1.00 0.00 C ATOM 1194 C ARG A 74 -4.653 -3.722 -35.479 1.00 0.00 C ATOM 1195 O ARG A 74 -5.071 -3.192 -36.510 1.00 0.00 O ATOM 1196 CB ARG A 74 -2.838 -5.441 -35.652 1.00 0.00 C ATOM 1197 CG ARG A 74 -1.370 -5.812 -35.496 1.00 0.00 C ATOM 1198 CD ARG A 74 -0.487 -4.979 -36.405 1.00 0.00 C ATOM 1199 NE ARG A 74 -0.708 -5.291 -37.817 1.00 0.00 N ATOM 1200 CZ ARG A 74 -0.509 -4.435 -38.827 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -0.155 -3.173 -38.585 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 -0.691 -4.837 -40.081 1.00 0.00 N ATOM 0 H ARG A 74 -2.469 -4.541 -33.366 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.585 -3.322 -35.914 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.438 -6.109 -35.034 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.136 -5.611 -36.687 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.065 -5.668 -34.459 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.234 -6.869 -35.724 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.684 -3.921 -36.232 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.559 -5.154 -36.154 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.037 -6.228 -38.049 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.034 -2.853 -37.624 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.005 -2.528 -39.361 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.982 -5.796 -40.272 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.540 -4.187 -40.852 1.00 0.00 H new ATOM 1216 N PHE A 75 -5.439 -4.102 -34.482 1.00 0.00 N ATOM 1217 CA PHE A 75 -6.876 -3.869 -34.486 1.00 0.00 C ATOM 1218 C PHE A 75 -7.145 -2.369 -34.540 1.00 0.00 C ATOM 1219 O PHE A 75 -7.951 -1.892 -35.338 1.00 0.00 O ATOM 1220 CB PHE A 75 -7.509 -4.490 -33.228 1.00 0.00 C ATOM 1221 CG PHE A 75 -8.995 -4.283 -33.099 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -9.885 -5.127 -33.743 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -9.500 -3.251 -32.324 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.250 -4.943 -33.617 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -10.863 -3.062 -32.196 1.00 0.00 C ATOM 1226 CZ PHE A 75 -11.739 -3.910 -32.844 1.00 0.00 C ATOM 0 H PHE A 75 -5.099 -4.580 -33.648 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.322 -4.338 -35.363 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.304 -5.561 -33.227 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.021 -4.071 -32.348 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.509 -5.937 -34.350 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.819 -2.586 -31.813 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.933 -5.608 -34.124 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.242 -2.252 -31.590 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.805 -3.765 -32.746 1.00 0.00 H new ATOM 1236 N ARG A 76 -6.447 -1.636 -33.689 1.00 0.00 N ATOM 1237 CA ARG A 76 -6.553 -0.192 -33.630 1.00 0.00 C ATOM 1238 C ARG A 76 -6.157 0.434 -34.969 1.00 0.00 C ATOM 1239 O ARG A 76 -6.839 1.329 -35.465 1.00 0.00 O ATOM 1240 CB ARG A 76 -5.649 0.336 -32.518 1.00 0.00 C ATOM 1241 CG ARG A 76 -5.891 1.782 -32.142 1.00 0.00 C ATOM 1242 CD ARG A 76 -4.609 2.587 -32.204 1.00 0.00 C ATOM 1243 NE ARG A 76 -4.259 2.954 -33.576 1.00 0.00 N ATOM 1244 CZ ARG A 76 -3.028 3.228 -33.992 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -1.992 3.053 -33.180 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -2.838 3.650 -35.233 1.00 0.00 N ATOM 0 H ARG A 76 -5.788 -2.030 -33.017 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.588 0.079 -33.420 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.785 -0.284 -31.632 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.610 0.224 -32.828 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.629 2.217 -32.816 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.308 1.834 -31.136 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.719 3.490 -31.604 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.796 2.009 -31.765 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.013 3.003 -34.261 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.140 2.707 -32.232 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.048 3.265 -33.504 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.634 3.762 -35.861 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.896 3.863 -35.561 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.059 -0.058 -35.554 1.00 0.00 N ATOM 1261 CA GLU A 77 -4.574 0.449 -36.838 1.00 0.00 C ATOM 1262 C GLU A 77 -5.595 0.215 -37.936 1.00 0.00 C ATOM 1263 O GLU A 77 -5.731 1.025 -38.855 1.00 0.00 O ATOM 1264 CB GLU A 77 -3.243 -0.199 -37.232 1.00 0.00 C ATOM 1265 CG GLU A 77 -2.070 0.192 -36.352 1.00 0.00 C ATOM 1266 CD GLU A 77 -0.748 -0.265 -36.924 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -0.236 -1.323 -36.497 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -0.205 0.436 -37.805 1.00 0.00 O1- ATOM 0 H GLU A 77 -4.491 -0.807 -35.157 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.417 1.521 -36.718 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.358 -1.283 -37.203 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.013 0.070 -38.263 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.056 1.275 -36.229 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.203 -0.239 -35.360 1.00 0.00 H new ATOM 1275 N ALA A 78 -6.317 -0.890 -37.840 1.00 0.00 N ATOM 1276 CA ALA A 78 -7.325 -1.214 -38.822 1.00 0.00 C ATOM 1277 C ALA A 78 -8.448 -0.189 -38.775 1.00 0.00 C ATOM 1278 O ALA A 78 -8.934 0.247 -39.814 1.00 0.00 O ATOM 1279 CB ALA A 78 -7.853 -2.620 -38.608 1.00 0.00 C ATOM 0 H ALA A 78 -6.220 -1.574 -37.090 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.873 -1.181 -39.813 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.611 -2.842 -39.359 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.034 -3.334 -38.697 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.294 -2.696 -37.614 1.00 0.00 H new ATOM 1285 N ILE A 79 -8.868 0.190 -37.557 1.00 0.00 N ATOM 1286 CA ILE A 79 -9.871 1.245 -37.379 1.00 0.00 C ATOM 1287 C ILE A 79 -9.391 2.564 -37.988 1.00 0.00 C ATOM 1288 O ILE A 79 -10.187 3.318 -38.556 1.00 0.00 O ATOM 1289 CB ILE A 79 -10.189 1.465 -35.872 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -10.772 0.190 -35.261 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -11.154 2.636 -35.683 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -11.070 0.297 -33.782 1.00 0.00 C ATOM 0 H ILE A 79 -8.528 -0.218 -36.686 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.777 0.921 -37.892 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.258 1.706 -35.359 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -11.691 -0.066 -35.789 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.073 -0.630 -35.422 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -11.361 2.769 -34.621 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.705 3.545 -36.082 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.085 2.429 -36.211 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.480 -0.647 -33.424 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.151 0.521 -33.241 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -11.794 1.094 -33.613 1.00 0.00 H new ATOM 1304 N ASP A 80 -8.090 2.829 -37.895 1.00 0.00 N ATOM 1305 CA ASP A 80 -7.517 4.034 -38.502 1.00 0.00 C ATOM 1306 C ASP A 80 -7.717 3.997 -40.007 1.00 0.00 C ATOM 1307 O ASP A 80 -7.983 5.022 -40.639 1.00 0.00 O ATOM 1308 CB ASP A 80 -6.009 4.134 -38.208 1.00 0.00 C ATOM 1309 CG ASP A 80 -5.682 4.640 -36.820 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -5.597 3.826 -35.884 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -5.469 5.862 -36.667 1.00 0.00 O1- ATOM 0 H ASP A 80 -7.417 2.235 -37.411 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.023 4.900 -38.074 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.558 3.150 -38.340 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.550 4.796 -38.942 1.00 0.00 H new ATOM 1316 N LYS A 81 -7.600 2.810 -40.570 1.00 0.00 N ATOM 1317 CA LYS A 81 -7.765 2.610 -42.003 1.00 0.00 C ATOM 1318 C LYS A 81 -9.228 2.359 -42.380 1.00 0.00 C ATOM 1319 O LYS A 81 -9.546 2.200 -43.558 1.00 0.00 O ATOM 1320 CB LYS A 81 -6.909 1.430 -42.478 1.00 0.00 C ATOM 1321 CG LYS A 81 -5.436 1.540 -42.117 1.00 0.00 C ATOM 1322 CD LYS A 81 -4.820 2.812 -42.668 1.00 0.00 C ATOM 1323 CE LYS A 81 -3.332 2.872 -42.383 1.00 0.00 C ATOM 1324 NZ LYS A 81 -2.728 4.134 -42.872 1.00 0.00 N1+ ATOM 0 H LYS A 81 -7.389 1.957 -40.052 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.439 3.526 -42.495 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.308 0.511 -42.049 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.000 1.343 -43.561 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.324 1.521 -41.033 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.899 0.676 -42.508 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.989 2.864 -43.744 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.312 3.678 -42.226 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.164 2.780 -41.310 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.837 2.025 -42.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.710 4.137 -42.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.866 4.210 -43.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.183 4.942 -42.401 1.00 0.00 H new ATOM 1338 N GLY A 82 -10.122 2.343 -41.388 1.00 0.00 N ATOM 1339 CA GLY A 82 -11.525 2.053 -41.658 1.00 0.00 C ATOM 1340 C GLY A 82 -11.766 0.628 -42.128 1.00 0.00 C ATOM 1341 O GLY A 82 -12.828 0.323 -42.677 1.00 0.00 O ATOM 0 H GLY A 82 -9.902 2.524 -40.409 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.106 2.233 -40.754 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.892 2.745 -42.416 1.00 0.00 H new ATOM 1345 N ASP A 83 -10.795 -0.247 -41.915 1.00 0.00 N ATOM 1346 CA ASP A 83 -10.899 -1.609 -42.423 1.00 0.00 C ATOM 1347 C ASP A 83 -11.568 -2.540 -41.413 1.00 0.00 C ATOM 1348 O ASP A 83 -10.905 -3.307 -40.707 1.00 0.00 O ATOM 1349 CB ASP A 83 -9.529 -2.152 -42.829 1.00 0.00 C ATOM 1350 CG ASP A 83 -9.633 -3.406 -43.679 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -9.885 -4.491 -43.135 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -9.456 -3.303 -44.909 1.00 0.00 O1- ATOM 0 H ASP A 83 -9.937 -0.044 -41.402 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.531 -1.573 -43.310 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.986 -1.385 -43.382 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.948 -2.370 -41.933 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.880 -2.413 -41.312 1.00 0.00 N ATOM 1358 CA LYS A 84 -13.692 -3.280 -40.454 1.00 0.00 C ATOM 1359 C LYS A 84 -13.535 -4.762 -40.795 1.00 0.00 C ATOM 1360 O LYS A 84 -13.773 -5.625 -39.948 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.161 -2.865 -40.508 1.00 0.00 C ATOM 1362 CG LYS A 84 -15.414 -1.488 -39.921 1.00 0.00 C ATOM 1363 CD LYS A 84 -16.876 -1.104 -39.994 1.00 0.00 C ATOM 1364 CE LYS A 84 -17.117 0.235 -39.320 1.00 0.00 C ATOM 1365 NZ LYS A 84 -18.514 0.701 -39.471 1.00 0.00 N1+ ATOM 0 H LYS A 84 -13.418 -1.710 -41.818 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.324 -3.152 -39.436 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.498 -2.879 -41.544 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.760 -3.599 -39.968 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.085 -1.470 -38.882 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.817 -0.750 -40.457 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.192 -1.053 -41.036 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.483 -1.872 -39.514 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.877 0.153 -38.260 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.441 0.978 -39.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.698 1.471 -38.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.662 1.047 -40.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.165 -0.087 -39.282 1.00 0.00 H new ATOM 1379 N ASP A 85 -13.123 -5.053 -42.017 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.935 -6.433 -42.452 1.00 0.00 C ATOM 1381 C ASP A 85 -11.857 -7.105 -41.606 1.00 0.00 C ATOM 1382 O ASP A 85 -12.019 -8.245 -41.155 1.00 0.00 O ATOM 1383 CB ASP A 85 -12.550 -6.487 -43.928 1.00 0.00 C ATOM 1384 CG ASP A 85 -13.655 -5.999 -44.834 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -14.668 -6.714 -44.987 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -13.513 -4.898 -45.406 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.911 -4.354 -42.729 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.877 -6.966 -42.322 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.658 -5.881 -44.090 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.292 -7.512 -44.195 1.00 0.00 H new ATOM 1391 N SER A 86 -10.760 -6.385 -41.386 1.00 0.00 N ATOM 1392 CA SER A 86 -9.671 -6.876 -40.555 1.00 0.00 C ATOM 1393 C SER A 86 -10.098 -6.921 -39.102 1.00 0.00 C ATOM 1394 O SER A 86 -9.661 -7.785 -38.344 1.00 0.00 O ATOM 1395 CB SER A 86 -8.438 -5.984 -40.689 1.00 0.00 C ATOM 1396 OG SER A 86 -8.031 -5.867 -42.037 1.00 0.00 O ATOM 0 H SER A 86 -10.604 -5.455 -41.775 1.00 0.00 H new ATOM 0 HA SER A 86 -9.419 -7.881 -40.893 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.657 -4.995 -40.286 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.622 -6.397 -40.095 1.00 0.00 H new ATOM 0 HG SER A 86 -8.779 -5.535 -42.577 1.00 0.00 H new ATOM 1402 N LEU A 87 -10.977 -5.996 -38.722 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.433 -5.893 -37.347 1.00 0.00 C ATOM 1404 C LEU A 87 -12.116 -7.170 -36.906 1.00 0.00 C ATOM 1405 O LEU A 87 -11.886 -7.642 -35.808 1.00 0.00 O ATOM 1406 CB LEU A 87 -12.390 -4.711 -37.167 1.00 0.00 C ATOM 1407 CG LEU A 87 -11.808 -3.323 -37.427 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -12.843 -2.250 -37.131 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -10.572 -3.105 -36.586 1.00 0.00 C ATOM 0 H LEU A 87 -11.386 -5.307 -39.353 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.553 -5.728 -36.726 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.241 -4.855 -37.833 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.775 -4.735 -36.148 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.530 -3.256 -38.479 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.412 -1.267 -37.321 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.712 -2.396 -37.773 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.148 -2.317 -36.087 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.169 -2.112 -36.782 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.831 -3.190 -35.530 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.824 -3.857 -36.837 1.00 0.00 H new ATOM 1421 N GLU A 88 -12.941 -7.733 -37.775 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.656 -8.963 -37.459 1.00 0.00 C ATOM 1423 C GLU A 88 -12.682 -10.098 -37.122 1.00 0.00 C ATOM 1424 O GLU A 88 -12.849 -10.797 -36.117 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.533 -9.379 -38.638 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.557 -8.340 -39.057 1.00 0.00 C ATOM 1427 CD GLU A 88 -16.375 -8.792 -40.243 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -16.059 -8.393 -41.384 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -17.333 -9.569 -40.048 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.133 -7.359 -38.704 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.281 -8.772 -36.587 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.892 -9.603 -39.490 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.054 -10.301 -38.380 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.221 -8.128 -38.219 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.047 -7.408 -39.303 1.00 0.00 H new ATOM 1436 N GLN A 89 -11.663 -10.265 -37.959 1.00 0.00 N ATOM 1437 CA GLN A 89 -10.674 -11.321 -37.756 1.00 0.00 C ATOM 1438 C GLN A 89 -9.786 -11.031 -36.545 1.00 0.00 C ATOM 1439 O GLN A 89 -9.556 -11.904 -35.705 1.00 0.00 O ATOM 1440 CB GLN A 89 -9.810 -11.498 -39.006 1.00 0.00 C ATOM 1441 CG GLN A 89 -8.915 -12.726 -38.955 1.00 0.00 C ATOM 1442 CD GLN A 89 -8.033 -12.866 -40.176 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -7.613 -11.874 -40.779 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -7.749 -14.095 -40.552 1.00 0.00 N ATOM 0 H GLN A 89 -11.500 -9.685 -38.782 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.218 -12.246 -37.565 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.458 -11.567 -39.880 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.190 -10.611 -39.138 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.288 -12.675 -38.065 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.535 -13.617 -38.858 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.117 -14.887 -40.025 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.161 -14.255 -41.370 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.310 -9.796 -36.451 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.424 -9.395 -35.361 1.00 0.00 C ATOM 1455 C LEU A 90 -9.142 -9.436 -34.022 1.00 0.00 C ATOM 1456 O LEU A 90 -8.551 -9.780 -33.008 1.00 0.00 O ATOM 1457 CB LEU A 90 -7.851 -7.999 -35.619 1.00 0.00 C ATOM 1458 CG LEU A 90 -6.893 -7.886 -36.809 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -6.535 -6.436 -37.072 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -5.635 -8.707 -36.559 1.00 0.00 C ATOM 0 H LEU A 90 -9.522 -9.052 -37.116 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.601 -10.108 -35.322 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.680 -7.309 -35.776 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.328 -7.669 -34.722 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.395 -8.281 -37.692 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.854 -6.378 -37.921 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.441 -5.872 -37.294 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.053 -6.015 -36.190 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.965 -8.616 -37.414 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.133 -8.340 -35.664 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.905 -9.754 -36.420 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.420 -9.108 -34.035 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.208 -9.113 -32.821 1.00 0.00 C ATOM 1474 C LEU A 91 -11.413 -10.540 -32.354 1.00 0.00 C ATOM 1475 O LEU A 91 -11.354 -10.826 -31.164 1.00 0.00 O ATOM 1476 CB LEU A 91 -12.546 -8.412 -33.024 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.358 -8.161 -31.756 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -12.552 -7.358 -30.745 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -14.644 -7.442 -32.091 1.00 0.00 C ATOM 0 H LEU A 91 -10.933 -8.835 -34.873 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.666 -8.560 -32.054 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -12.364 -7.455 -33.513 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.149 -9.010 -33.708 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.600 -9.126 -31.310 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -13.152 -7.192 -29.850 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.649 -7.908 -30.480 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -12.276 -6.397 -31.180 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.213 -7.270 -31.177 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -14.414 -6.486 -32.561 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.234 -8.051 -32.776 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.624 -11.439 -33.312 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.790 -12.853 -33.014 1.00 0.00 C ATOM 1493 C GLU A 92 -10.518 -13.384 -32.372 1.00 0.00 C ATOM 1494 O GLU A 92 -10.560 -14.111 -31.378 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.085 -13.631 -34.298 1.00 0.00 C ATOM 1496 CG GLU A 92 -12.386 -15.103 -34.074 1.00 0.00 C ATOM 1497 CD GLU A 92 -12.465 -15.878 -35.368 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -11.615 -16.763 -35.586 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -13.367 -15.599 -36.181 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.684 -11.209 -34.304 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.627 -12.979 -32.327 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.934 -13.170 -34.803 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.230 -13.544 -34.968 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.612 -15.537 -33.440 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.330 -15.201 -33.537 1.00 0.00 H new ATOM 1506 N GLU A 93 -9.387 -13.004 -32.946 1.00 0.00 N ATOM 1507 CA GLU A 93 -8.092 -13.392 -32.424 1.00 0.00 C ATOM 1508 C GLU A 93 -7.894 -12.798 -31.027 1.00 0.00 C ATOM 1509 O GLU A 93 -7.379 -13.460 -30.129 1.00 0.00 O ATOM 1510 CB GLU A 93 -6.977 -12.934 -33.369 1.00 0.00 C ATOM 1511 CG GLU A 93 -5.582 -13.385 -32.959 1.00 0.00 C ATOM 1512 CD GLU A 93 -5.446 -14.890 -32.888 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -5.454 -15.543 -33.954 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -5.314 -15.428 -31.776 1.00 0.00 O1- ATOM 0 H GLU A 93 -9.344 -12.421 -33.782 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.051 -14.479 -32.350 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.188 -13.310 -34.370 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.991 -11.846 -33.428 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.855 -12.993 -33.671 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.339 -12.957 -31.986 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.350 -11.559 -30.843 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.247 -10.890 -29.553 1.00 0.00 C ATOM 1523 C LEU A 94 -9.074 -11.624 -28.509 1.00 0.00 C ATOM 1524 O LEU A 94 -8.623 -11.835 -27.385 1.00 0.00 O ATOM 1525 CB LEU A 94 -8.716 -9.431 -29.646 1.00 0.00 C ATOM 1526 CG LEU A 94 -7.786 -8.466 -30.382 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.431 -7.094 -30.498 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.456 -8.361 -29.661 1.00 0.00 C ATOM 0 H LEU A 94 -8.794 -11.001 -31.573 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.198 -10.900 -29.257 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.687 -9.415 -30.141 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.868 -9.055 -28.634 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.609 -8.854 -31.385 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.757 -6.418 -31.024 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.366 -7.177 -31.052 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.633 -6.701 -29.501 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.805 -7.670 -30.197 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.619 -7.993 -28.648 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.986 -9.344 -29.619 1.00 0.00 H new ATOM 1540 N GLU A 95 -10.293 -12.004 -28.889 1.00 0.00 N ATOM 1541 CA GLU A 95 -11.191 -12.736 -28.003 1.00 0.00 C ATOM 1542 C GLU A 95 -10.577 -14.073 -27.583 1.00 0.00 C ATOM 1543 O GLU A 95 -10.586 -14.423 -26.405 1.00 0.00 O ATOM 1544 CB GLU A 95 -12.547 -12.975 -28.692 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.348 -11.702 -28.966 1.00 0.00 C ATOM 1546 CD GLU A 95 -14.631 -11.970 -29.729 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -15.459 -12.766 -29.242 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -14.824 -11.386 -30.817 1.00 0.00 O1- ATOM 0 H GLU A 95 -10.682 -11.814 -29.813 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.347 -12.132 -27.109 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.375 -13.492 -29.636 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.146 -13.640 -28.069 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.588 -11.218 -28.019 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.732 -11.005 -29.534 1.00 0.00 H new ATOM 1555 N GLN A 96 -10.015 -14.795 -28.547 1.00 0.00 N ATOM 1556 CA GLN A 96 -9.412 -16.104 -28.285 1.00 0.00 C ATOM 1557 C GLN A 96 -8.152 -15.969 -27.427 1.00 0.00 C ATOM 1558 O GLN A 96 -7.895 -16.789 -26.545 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.069 -16.802 -29.600 1.00 0.00 C ATOM 1560 CG GLN A 96 -10.266 -17.070 -30.496 1.00 0.00 C ATOM 1561 CD GLN A 96 -9.868 -17.688 -31.820 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -9.811 -18.913 -31.955 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -9.588 -16.852 -32.799 1.00 0.00 N ATOM 0 H GLN A 96 -9.963 -14.497 -29.521 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.139 -16.704 -27.738 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.351 -16.190 -30.146 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.577 -17.749 -29.378 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.960 -17.735 -29.982 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.796 -16.135 -30.679 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.648 -15.846 -32.643 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.311 -17.211 -33.713 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.384 -14.930 -27.695 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.155 -14.675 -26.955 1.00 0.00 C ATOM 1574 C ALA A 97 -6.481 -14.262 -25.526 1.00 0.00 C ATOM 1575 O ALA A 97 -5.835 -14.708 -24.579 1.00 0.00 O ATOM 1576 CB ALA A 97 -5.322 -13.611 -27.652 1.00 0.00 C ATOM 0 H ALA A 97 -7.588 -14.244 -28.422 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.567 -15.593 -26.923 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.408 -13.434 -27.084 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.066 -13.949 -28.656 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.894 -12.685 -27.716 1.00 0.00 H new ATOM 1582 N LEU A 98 -7.506 -13.435 -25.384 1.00 0.00 N ATOM 1583 CA LEU A 98 -7.953 -12.978 -24.073 1.00 0.00 C ATOM 1584 C LEU A 98 -8.392 -14.165 -23.224 1.00 0.00 C ATOM 1585 O LEU A 98 -8.067 -14.245 -22.033 1.00 0.00 O ATOM 1586 CB LEU A 98 -9.095 -11.946 -24.217 1.00 0.00 C ATOM 1587 CG LEU A 98 -9.691 -11.389 -22.910 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -10.126 -9.947 -23.100 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -10.881 -12.230 -22.457 1.00 0.00 C ATOM 0 H LEU A 98 -8.048 -13.064 -26.164 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.120 -12.487 -23.570 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.724 -11.108 -24.807 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.900 -12.407 -24.789 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.919 -11.431 -22.141 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.545 -9.568 -22.168 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.265 -9.342 -23.384 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.881 -9.895 -23.885 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.286 -11.819 -21.532 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.651 -12.216 -23.228 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.557 -13.257 -22.286 1.00 0.00 H new ATOM 1601 N GLN A 99 -9.116 -15.088 -23.842 1.00 0.00 N ATOM 1602 CA GLN A 99 -9.569 -16.288 -23.154 1.00 0.00 C ATOM 1603 C GLN A 99 -8.389 -17.129 -22.672 1.00 0.00 C ATOM 1604 O GLN A 99 -8.437 -17.709 -21.583 1.00 0.00 O ATOM 1605 CB GLN A 99 -10.476 -17.130 -24.060 1.00 0.00 C ATOM 1606 CG GLN A 99 -11.764 -16.430 -24.472 1.00 0.00 C ATOM 1607 CD GLN A 99 -12.604 -15.998 -23.286 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -12.582 -16.628 -22.228 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -13.358 -14.929 -23.458 1.00 0.00 N ATOM 0 H GLN A 99 -9.402 -15.028 -24.819 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.142 -15.968 -22.284 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.921 -17.405 -24.957 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.727 -18.057 -23.544 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.520 -15.556 -25.076 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.350 -17.099 -25.102 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.347 -14.435 -24.351 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.952 -14.596 -22.698 1.00 0.00 H new ATOM 1618 N LYS A 100 -7.329 -17.195 -23.471 1.00 0.00 N ATOM 1619 CA LYS A 100 -6.146 -17.964 -23.111 1.00 0.00 C ATOM 1620 C LYS A 100 -5.367 -17.282 -21.989 1.00 0.00 C ATOM 1621 O LYS A 100 -4.932 -17.929 -21.034 1.00 0.00 O ATOM 1622 CB LYS A 100 -5.245 -18.150 -24.333 1.00 0.00 C ATOM 1623 CG LYS A 100 -5.849 -19.024 -25.418 1.00 0.00 C ATOM 1624 CD LYS A 100 -4.910 -19.158 -26.605 1.00 0.00 C ATOM 1625 CE LYS A 100 -5.499 -20.055 -27.684 1.00 0.00 C ATOM 1626 NZ LYS A 100 -6.776 -19.519 -28.216 1.00 0.00 N1+ ATOM 0 H LYS A 100 -7.266 -16.724 -24.373 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.474 -18.940 -22.755 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.015 -17.171 -24.755 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.300 -18.588 -24.012 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.069 -20.011 -25.012 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.796 -18.597 -25.747 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.706 -18.172 -27.022 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.956 -19.567 -26.271 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.783 -20.160 -28.499 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.666 -21.052 -27.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.039 -20.039 -29.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.524 -19.631 -27.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.662 -18.510 -28.442 1.00 0.00 H new ATOM 1640 N ILE A 101 -5.191 -15.969 -22.117 1.00 0.00 N ATOM 1641 CA ILE A 101 -4.457 -15.191 -21.128 1.00 0.00 C ATOM 1642 C ILE A 101 -5.125 -15.256 -19.768 1.00 0.00 C ATOM 1643 O ILE A 101 -4.457 -15.486 -18.761 1.00 0.00 O ATOM 1644 CB ILE A 101 -4.297 -13.714 -21.566 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -3.490 -13.641 -22.860 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -3.621 -12.894 -20.466 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -3.387 -12.253 -23.442 1.00 0.00 C ATOM 0 H ILE A 101 -5.549 -15.422 -22.900 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.465 -15.635 -21.051 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.287 -13.292 -21.742 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.486 -14.020 -22.671 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.946 -14.300 -23.598 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.518 -11.860 -20.794 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.228 -12.929 -19.561 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.635 -13.308 -20.258 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.799 -12.286 -24.359 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.386 -11.877 -23.665 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.902 -11.592 -22.723 1.00 0.00 H new ATOM 1659 N ARG A 102 -6.445 -15.071 -19.730 1.00 0.00 N ATOM 1660 CA ARG A 102 -7.169 -15.137 -18.468 1.00 0.00 C ATOM 1661 C ARG A 102 -6.987 -16.480 -17.796 1.00 0.00 C ATOM 1662 O ARG A 102 -6.760 -16.540 -16.604 1.00 0.00 O ATOM 1663 CB ARG A 102 -8.661 -14.854 -18.648 1.00 0.00 C ATOM 1664 CG ARG A 102 -8.996 -13.391 -18.855 1.00 0.00 C ATOM 1665 CD ARG A 102 -10.181 -12.975 -17.992 1.00 0.00 C ATOM 1666 NE ARG A 102 -9.885 -13.105 -16.555 1.00 0.00 N ATOM 1667 CZ ARG A 102 -10.487 -12.404 -15.583 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -11.459 -11.544 -15.870 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -10.125 -12.583 -14.321 1.00 0.00 N ATOM 0 H ARG A 102 -7.024 -14.877 -20.547 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.746 -14.361 -17.830 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.027 -15.423 -19.503 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.196 -15.217 -17.771 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.129 -12.777 -18.609 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.226 -13.212 -19.905 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.449 -11.942 -18.216 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.046 -13.590 -18.242 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.170 -13.778 -16.279 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.754 -11.412 -16.837 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.910 -11.016 -15.123 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -9.390 -13.252 -14.091 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -10.581 -12.051 -13.579 1.00 0.00 H new ATOM 1683 N GLU A 103 -7.051 -17.549 -18.572 1.00 0.00 N ATOM 1684 CA GLU A 103 -6.923 -18.890 -18.021 1.00 0.00 C ATOM 1685 C GLU A 103 -5.575 -19.070 -17.324 1.00 0.00 C ATOM 1686 O GLU A 103 -5.497 -19.645 -16.235 1.00 0.00 O ATOM 1687 CB GLU A 103 -7.105 -19.934 -19.117 1.00 0.00 C ATOM 1688 CG GLU A 103 -7.178 -21.357 -18.599 1.00 0.00 C ATOM 1689 CD GLU A 103 -7.549 -22.341 -19.675 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -8.760 -22.582 -19.871 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -6.635 -22.880 -20.338 1.00 0.00 O1- ATOM 0 H GLU A 103 -7.190 -17.516 -19.582 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.707 -19.028 -17.276 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.017 -19.711 -19.670 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.277 -19.856 -19.822 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.214 -21.635 -18.173 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.910 -21.410 -17.793 1.00 0.00 H new ATOM 1698 N LEU A 104 -4.517 -18.572 -17.942 1.00 0.00 N ATOM 1699 CA LEU A 104 -3.192 -18.646 -17.349 1.00 0.00 C ATOM 1700 C LEU A 104 -3.053 -17.680 -16.177 1.00 0.00 C ATOM 1701 O LEU A 104 -2.384 -17.987 -15.192 1.00 0.00 O ATOM 1702 CB LEU A 104 -2.114 -18.367 -18.400 1.00 0.00 C ATOM 1703 CG LEU A 104 -1.909 -19.458 -19.455 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -0.838 -19.044 -20.450 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -1.536 -20.778 -18.794 1.00 0.00 C ATOM 0 H LEU A 104 -4.549 -18.113 -18.852 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.056 -19.658 -16.968 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.364 -17.437 -18.911 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.167 -18.203 -17.886 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.847 -19.594 -19.993 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.706 -19.832 -21.192 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.141 -18.123 -20.948 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.103 -18.880 -19.925 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.394 -21.541 -19.559 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.612 -20.654 -18.230 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.335 -21.085 -18.119 1.00 0.00 H new ATOM 1717 N ALA A 105 -3.701 -16.523 -16.274 1.00 0.00 N ATOM 1718 CA ALA A 105 -3.631 -15.514 -15.226 1.00 0.00 C ATOM 1719 C ALA A 105 -4.395 -15.954 -13.985 1.00 0.00 C ATOM 1720 O ALA A 105 -4.042 -15.587 -12.859 1.00 0.00 O ATOM 1721 CB ALA A 105 -4.169 -14.189 -15.735 1.00 0.00 C ATOM 0 H ALA A 105 -4.282 -16.262 -17.071 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.584 -15.388 -14.949 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.111 -13.444 -14.942 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.575 -13.859 -16.587 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.208 -14.312 -16.042 1.00 0.00 H new ATOM 1727 N GLU A 106 -5.458 -16.726 -14.190 1.00 0.00 N ATOM 1728 CA GLU A 106 -6.240 -17.248 -13.082 1.00 0.00 C ATOM 1729 C GLU A 106 -5.438 -18.270 -12.291 1.00 0.00 C ATOM 1730 O GLU A 106 -5.772 -18.564 -11.140 1.00 0.00 O ATOM 1731 CB GLU A 106 -7.549 -17.883 -13.569 1.00 0.00 C ATOM 1732 CG GLU A 106 -8.490 -16.923 -14.284 1.00 0.00 C ATOM 1733 CD GLU A 106 -8.801 -15.683 -13.477 1.00 0.00 C ATOM 1734 OE1 GLU A 106 -8.326 -14.595 -13.847 1.00 0.00 O ATOM 1735 OE2 GLU A 106 -9.521 -15.788 -12.465 1.00 0.00 O1- ATOM 0 H GLU A 106 -5.795 -17.002 -15.113 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.486 -16.407 -12.434 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.310 -18.706 -14.242 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.070 -18.312 -12.713 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.045 -16.628 -15.234 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.421 -17.441 -14.515 1.00 0.00 H new ATOM 1742 N LYS A 107 -4.375 -18.817 -12.921 1.00 0.00 N ATOM 1743 CA LYS A 107 -3.474 -19.810 -12.307 1.00 0.00 C ATOM 1744 C LYS A 107 -4.125 -21.180 -12.109 1.00 0.00 C ATOM 1745 O LYS A 107 -3.447 -22.204 -12.192 1.00 0.00 O ATOM 1746 CB LYS A 107 -2.878 -19.296 -10.994 1.00 0.00 C ATOM 1747 CG LYS A 107 -2.021 -18.045 -11.158 1.00 0.00 C ATOM 1748 CD LYS A 107 -1.397 -17.609 -9.839 1.00 0.00 C ATOM 1749 CE LYS A 107 -2.452 -17.270 -8.801 1.00 0.00 C ATOM 1750 NZ LYS A 107 -1.847 -16.781 -7.538 1.00 0.00 N1+ ATOM 0 H LYS A 107 -4.118 -18.578 -13.879 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.663 -19.952 -13.022 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.688 -19.082 -10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.273 -20.084 -10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.233 -18.237 -11.887 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.633 -17.235 -11.556 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.756 -18.405 -9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.761 -16.740 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.123 -16.510 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.057 -18.153 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.600 -16.560 -6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.226 -17.516 -7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.291 -15.923 -7.729 1.00 0.00 H new ATOM 1764 N LYS A 108 -5.430 -21.189 -11.871 1.00 0.00 N ATOM 1765 CA LYS A 108 -6.185 -22.416 -11.631 1.00 0.00 C ATOM 1766 C LYS A 108 -7.608 -22.070 -11.249 1.00 0.00 C ATOM 1767 O LYS A 108 -8.565 -22.679 -11.731 1.00 0.00 O ATOM 1768 CB LYS A 108 -5.544 -23.245 -10.508 1.00 0.00 C ATOM 1769 CG LYS A 108 -6.221 -24.585 -10.256 1.00 0.00 C ATOM 1770 CD LYS A 108 -5.498 -25.382 -9.178 1.00 0.00 C ATOM 1771 CE LYS A 108 -4.059 -25.684 -9.578 1.00 0.00 C ATOM 1772 NZ LYS A 108 -3.379 -26.557 -8.590 1.00 0.00 N1+ ATOM 0 H LYS A 108 -5.999 -20.343 -11.838 1.00 0.00 H new ATOM 0 HA LYS A 108 -6.178 -23.007 -12.547 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.497 -23.421 -10.754 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.562 -22.663 -9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -7.256 -24.420 -9.956 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.245 -25.161 -11.181 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -5.507 -24.822 -8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.030 -26.316 -8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.048 -26.166 -10.556 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.507 -24.750 -9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.403 -26.738 -8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.366 -26.087 -7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.891 -27.459 -8.514 1.00 0.00 H new ATOM 1786 N ASN A 109 -7.741 -21.064 -10.404 1.00 0.00 N ATOM 1787 CA ASN A 109 -9.034 -20.645 -9.904 1.00 0.00 C ATOM 1788 C ASN A 109 -9.008 -19.185 -9.477 1.00 0.00 C ATOM 1789 O ASN A 109 -9.802 -18.399 -10.013 1.00 0.00 O ATOM 1790 CB ASN A 109 -9.533 -21.578 -8.761 1.00 0.00 C ATOM 1791 CG ASN A 109 -8.476 -21.924 -7.697 1.00 0.00 C ATOM 1792 OD1 ASN A 109 -8.437 -23.048 -7.198 1.00 0.00 O ATOM 1793 ND2 ASN A 109 -7.648 -20.971 -7.326 1.00 0.00 N ATOM 1794 OXT ASN A 109 -8.162 -18.816 -8.638 1.00 0.00 O ATOM 0 H ASN A 109 -6.958 -20.517 -10.047 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.752 -20.732 -10.719 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -10.381 -21.103 -8.268 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -9.900 -22.505 -9.203 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -6.949 -21.154 -6.606 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.705 -20.049 -7.758 1.00 0.00 H new TER 1801 ASN A 109 HETATM 1802 NA1 7BU A 201 -1.063 -9.492 -17.638 1.00 0.00 N HETATM 1803 NB2 7BU A 201 -2.806 -8.905 -19.857 1.00 0.00 N HETATM 1804 ND4 7BU A 201 -3.308 -10.335 -16.040 1.00 0.00 N HETATM 1805 CHA 7BU A 201 -0.939 -10.836 -15.545 1.00 0.00 C HETATM 1806 CHB 7BU A 201 -0.451 -8.182 -19.655 1.00 0.00 C HETATM 1807 CHC 7BU A 201 -5.025 -9.513 -20.745 1.00 0.00 C HETATM 1808 CHD 7BU A 201 -5.781 -10.249 -15.944 1.00 0.00 C HETATM 1809 C1A 7BU A 201 -0.359 -10.149 -16.654 1.00 0.00 C HETATM 1810 C1B 7BU A 201 -1.672 -8.315 -20.370 1.00 0.00 C HETATM 1811 C1C 7BU A 201 -5.655 -9.826 -19.508 1.00 0.00 C HETATM 1812 C1D 7BU A 201 -4.502 -10.479 -15.368 1.00 0.00 C HETATM 1813 C1FA 7BU A 201 0.072 -11.549 -14.616 1.00 0.00 C HETATM 1814 C1FB 7BU A 201 0.710 -7.413 -20.305 1.00 0.00 C HETATM 1815 C1FC 7BU A 201 -5.922 -9.682 -21.981 1.00 0.00 C HETATM 1816 C1FD 7BU A 201 -7.009 -10.411 -15.031 1.00 0.00 C HETATM 1817 C2A 7BU A 201 1.067 -9.928 -16.863 1.00 0.00 C HETATM 1818 C2B 7BU A 201 -1.876 -8.034 -21.784 1.00 0.00 C HETATM 1819 C2C 7BU A 201 -7.077 -10.102 -19.330 1.00 0.00 C HETATM 1820 C2D 7BU A 201 -4.252 -11.098 -14.077 1.00 0.00 C HETATM 1821 C3A 7BU A 201 1.198 -9.146 -17.956 1.00 0.00 C HETATM 1822 C3B 7BU A 201 -3.119 -8.461 -22.098 1.00 0.00 C HETATM 1823 C3C 7BU A 201 -7.299 -10.243 -18.007 1.00 0.00 C HETATM 1824 C3D 7BU A 201 -2.921 -11.322 -13.990 1.00 0.00 C HETATM 1825 C4A 7BU A 201 -0.141 -8.873 -18.452 1.00 0.00 C HETATM 1826 C4B 7BU A 201 -3.712 -9.010 -20.890 1.00 0.00 C HETATM 1827 C4C 7BU A 201 -6.019 -10.056 -17.334 1.00 0.00 C HETATM 1828 C4D 7BU A 201 -2.317 -10.843 -15.221 1.00 0.00 C HETATM 1829 NC3 7BU A 201 -5.044 -9.808 -18.277 1.00 0.00 N HETATM 1830 F21A 7BU A 201 0.629 -10.688 -13.734 1.00 0.00 F HETATM 1831 F21B 7BU A 201 0.274 -6.406 -21.104 1.00 0.00 F HETATM 1832 F21C 7BU A 201 -5.269 -9.784 -23.145 1.00 0.00 F HETATM 1833 F21D 7BU A 201 -8.126 -9.822 -15.511 1.00 0.00 F HETATM 1834 F22A 7BU A 201 1.111 -12.081 -15.300 1.00 0.00 F HETATM 1835 F22B 7BU A 201 1.499 -8.183 -21.093 1.00 0.00 F HETATM 1836 F22C 7BU A 201 -6.682 -10.803 -21.909 1.00 0.00 F HETATM 1837 F22D 7BU A 201 -6.803 -9.849 -13.822 1.00 0.00 F HETATM 1838 F23A 7BU A 201 -0.445 -12.558 -13.879 1.00 0.00 F HETATM 1839 F23B 7BU A 201 1.518 -6.850 -19.379 1.00 0.00 F HETATM 1840 F23C 7BU A 201 -6.771 -8.640 -22.116 1.00 0.00 F HETATM 1841 F23D 7BU A 201 -7.308 -11.713 -14.816 1.00 0.00 F HETATM 1842 ZN 7BU A 201 -3.110 -9.223 -17.812 1.00 0.00 ZN