USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 787 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 THR OG1 : rot 82:sc= 1.07 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -0.781 K(o=0.29,f=-0.55) USER MOD Set 2.1: A 58 LYS NZ :NH3+ 176:sc= 1.41 (180deg=0.849) USER MOD Set 2.2: A 71 THR OG1 : rot 89:sc= 0.0949 USER MOD Set 2.3: A 75 THR OG1 : rot -130:sc= 0.473 USER MOD Set 3.1: A 34 ASN : amide:sc= 0.279 K(o=0.28,f=-2.5!) USER MOD Set 3.2: A 37 THR OG1 : rot -170:sc= 0 USER MOD Single : A 1 ARG N :NH3+ -172:sc= 0.794 (180deg=0.609) USER MOD Single : A 5 GLN : amide:sc= 0.991 K(o=0.99,f=-7.2!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -173:sc= 0 (180deg=-0.0474) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -155:sc= 1.18 (180deg=0.815) USER MOD Single : A 20 THR OG1 : rot 140:sc= 0.621 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 0.983 (180deg=0.559) USER MOD Single : A 32 GLN : amide:sc= -0.0276 K(o=-0.028,f=-2.7!) USER MOD Single : A 38 MET CE :methyl -173:sc= -0.08 (180deg=-0.229) USER MOD Single : A 40 GLN : amide:sc= 0.636 K(o=0.64,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.12) USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.11) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 83:sc= 0.573 USER MOD Single : A 52 THR OG1 : rot -160:sc= 0.724 USER MOD Single : A 56 GLN : amide:sc=-0.00398 X(o=-0.004,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.0876 K(o=0.088,f=-6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0012 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -4:sc= 1.23 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00868) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.416 0.628 -7.040 1.00 0.00 N ATOM 2 CA ARG A 1 -6.093 0.841 -6.388 1.00 0.00 C ATOM 3 C ARG A 1 -5.736 -0.242 -5.375 1.00 0.00 C ATOM 4 O ARG A 1 -4.652 -0.817 -5.460 1.00 0.00 O ATOM 5 CB ARG A 1 -5.930 2.266 -5.808 1.00 0.00 C ATOM 6 CG ARG A 1 -4.461 2.610 -5.475 1.00 0.00 C ATOM 7 CD ARG A 1 -4.030 2.330 -4.026 1.00 0.00 C ATOM 8 NE ARG A 1 -2.569 2.459 -3.871 1.00 0.00 N ATOM 9 CZ ARG A 1 -1.854 3.560 -3.750 1.00 0.00 C ATOM 10 NH1 ARG A 1 -2.379 4.751 -3.741 1.00 0.00 N ATOM 11 NH2 ARG A 1 -0.565 3.458 -3.627 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.539 1.317 -7.809 1.00 0.00 H new ATOM 0 H2 ARG A 1 -7.461 -0.336 -7.428 1.00 0.00 H new ATOM 0 H3 ARG A 1 -8.173 0.754 -6.338 1.00 0.00 H new ATOM 0 HA ARG A 1 -5.361 0.750 -7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.315 2.992 -6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.534 2.358 -4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -3.813 2.045 -6.145 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.296 3.666 -5.688 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -4.533 3.025 -3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -4.342 1.326 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 1 -2.045 1.584 -3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -3.389 4.864 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -1.781 5.571 -3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -0.124 2.538 -3.625 1.00 0.00 H new ATOM 0 HH22 ARG A 1 0.006 4.298 -3.532 1.00 0.00 H new ATOM 27 N ALA A 2 -6.585 -0.490 -4.376 1.00 0.00 N ATOM 28 CA ALA A 2 -6.226 -1.344 -3.236 1.00 0.00 C ATOM 29 C ALA A 2 -6.120 -2.845 -3.567 1.00 0.00 C ATOM 30 O ALA A 2 -5.326 -3.551 -2.949 1.00 0.00 O ATOM 31 CB ALA A 2 -7.241 -1.098 -2.112 1.00 0.00 C ATOM 0 H ALA A 2 -7.531 -0.111 -4.331 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.219 -1.064 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.993 -1.723 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.210 -0.049 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.242 -1.347 -2.465 1.00 0.00 H new ATOM 37 N ASP A 3 -6.869 -3.339 -4.556 1.00 0.00 N ATOM 38 CA ASP A 3 -6.759 -4.737 -5.002 1.00 0.00 C ATOM 39 C ASP A 3 -5.453 -4.991 -5.776 1.00 0.00 C ATOM 40 O ASP A 3 -4.809 -6.021 -5.581 1.00 0.00 O ATOM 41 CB ASP A 3 -7.965 -5.100 -5.880 1.00 0.00 C ATOM 42 CG ASP A 3 -9.279 -5.090 -5.083 1.00 0.00 C ATOM 43 OD1 ASP A 3 -9.556 -6.077 -4.359 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.044 -4.100 -5.182 1.00 0.00 O ATOM 0 H ASP A 3 -7.562 -2.792 -5.067 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.745 -5.369 -4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.037 -4.394 -6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.812 -6.087 -6.316 1.00 0.00 H new ATOM 49 N GLU A 4 -5.030 -4.016 -6.590 1.00 0.00 N ATOM 50 CA GLU A 4 -3.729 -4.061 -7.264 1.00 0.00 C ATOM 51 C GLU A 4 -2.625 -3.991 -6.211 1.00 0.00 C ATOM 52 O GLU A 4 -1.694 -4.790 -6.212 1.00 0.00 O ATOM 53 CB GLU A 4 -3.579 -2.890 -8.253 1.00 0.00 C ATOM 54 CG GLU A 4 -4.742 -2.719 -9.246 1.00 0.00 C ATOM 55 CD GLU A 4 -5.762 -1.676 -8.751 1.00 0.00 C ATOM 56 OE1 GLU A 4 -6.527 -1.946 -7.796 1.00 0.00 O ATOM 57 OE2 GLU A 4 -5.778 -0.539 -9.276 1.00 0.00 O ATOM 0 H GLU A 4 -5.576 -3.180 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.654 -4.991 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.469 -1.967 -7.684 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.657 -3.028 -8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.351 -2.414 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.241 -3.677 -9.391 1.00 0.00 H new ATOM 64 N GLN A 5 -2.781 -3.073 -5.252 1.00 0.00 N ATOM 65 CA GLN A 5 -1.825 -2.910 -4.166 1.00 0.00 C ATOM 66 C GLN A 5 -1.656 -4.211 -3.372 1.00 0.00 C ATOM 67 O GLN A 5 -0.528 -4.636 -3.127 1.00 0.00 O ATOM 68 CB GLN A 5 -2.270 -1.742 -3.265 1.00 0.00 C ATOM 69 CG GLN A 5 -1.175 -1.241 -2.316 1.00 0.00 C ATOM 70 CD GLN A 5 -0.078 -0.498 -3.070 1.00 0.00 C ATOM 71 OE1 GLN A 5 -0.239 0.644 -3.480 1.00 0.00 O ATOM 72 NE2 GLN A 5 1.055 -1.117 -3.306 1.00 0.00 N ATOM 0 H GLN A 5 -3.570 -2.428 -5.211 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.847 -2.673 -4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.599 -0.915 -3.894 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.132 -2.057 -2.676 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.615 -0.581 -1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.742 -2.086 -1.781 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.196 -2.069 -2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.794 -0.646 -3.828 1.00 0.00 H new ATOM 81 N ALA A 6 -2.757 -4.890 -3.042 1.00 0.00 N ATOM 82 CA ALA A 6 -2.718 -6.180 -2.359 1.00 0.00 C ATOM 83 C ALA A 6 -2.026 -7.260 -3.208 1.00 0.00 C ATOM 84 O ALA A 6 -1.104 -7.919 -2.721 1.00 0.00 O ATOM 85 CB ALA A 6 -4.147 -6.582 -1.973 1.00 0.00 C ATOM 0 H ALA A 6 -3.701 -4.558 -3.242 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.119 -6.085 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.129 -7.545 -1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.571 -5.827 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.758 -6.660 -2.872 1.00 0.00 H new ATOM 91 N PHE A 7 -2.395 -7.406 -4.487 1.00 0.00 N ATOM 92 CA PHE A 7 -1.787 -8.415 -5.361 1.00 0.00 C ATOM 93 C PHE A 7 -0.342 -8.077 -5.783 1.00 0.00 C ATOM 94 O PHE A 7 0.425 -8.986 -6.116 1.00 0.00 O ATOM 95 CB PHE A 7 -2.744 -8.785 -6.516 1.00 0.00 C ATOM 96 CG PHE A 7 -2.775 -7.982 -7.813 1.00 0.00 C ATOM 97 CD1 PHE A 7 -1.642 -7.885 -8.648 1.00 0.00 C ATOM 98 CD2 PHE A 7 -4.007 -7.477 -8.282 1.00 0.00 C ATOM 99 CE1 PHE A 7 -1.725 -7.236 -9.893 1.00 0.00 C ATOM 100 CE2 PHE A 7 -4.095 -6.843 -9.536 1.00 0.00 C ATOM 101 CZ PHE A 7 -2.950 -6.709 -10.338 1.00 0.00 C ATOM 0 H PHE A 7 -3.112 -6.838 -4.939 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.654 -9.327 -4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.528 -9.818 -6.788 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.755 -8.767 -6.108 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.703 -8.313 -8.329 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.892 -7.578 -7.672 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.844 -7.142 -10.510 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.044 -6.459 -9.881 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.010 -6.204 -11.291 1.00 0.00 H new ATOM 111 N LEU A 8 0.081 -6.811 -5.658 1.00 0.00 N ATOM 112 CA LEU A 8 1.472 -6.465 -5.980 1.00 0.00 C ATOM 113 C LEU A 8 2.349 -6.500 -4.723 1.00 0.00 C ATOM 114 O LEU A 8 3.545 -6.738 -4.852 1.00 0.00 O ATOM 115 CB LEU A 8 1.517 -5.099 -6.675 1.00 0.00 C ATOM 116 CG LEU A 8 0.964 -5.191 -8.108 1.00 0.00 C ATOM 117 CD1 LEU A 8 0.519 -3.808 -8.582 1.00 0.00 C ATOM 118 CD2 LEU A 8 2.001 -5.746 -9.085 1.00 0.00 C ATOM 0 H LEU A 8 -0.499 -6.032 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 8 1.877 -7.207 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.935 -4.376 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.544 -4.733 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 8 0.116 -5.875 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.128 -3.880 -9.597 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.259 -3.429 -7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.370 -3.127 -8.568 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.570 -5.794 -10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.874 -5.094 -9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.299 -6.746 -8.770 1.00 0.00 H new ATOM 130 N VAL A 9 1.776 -6.338 -3.519 1.00 0.00 N ATOM 131 CA VAL A 9 2.497 -6.646 -2.267 1.00 0.00 C ATOM 132 C VAL A 9 2.695 -8.162 -2.161 1.00 0.00 C ATOM 133 O VAL A 9 3.780 -8.621 -1.821 1.00 0.00 O ATOM 134 CB VAL A 9 1.763 -6.072 -1.037 1.00 0.00 C ATOM 135 CG1 VAL A 9 2.277 -6.633 0.296 1.00 0.00 C ATOM 136 CG2 VAL A 9 1.956 -4.550 -0.984 1.00 0.00 C ATOM 0 H VAL A 9 0.824 -5.999 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 9 3.476 -6.167 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 9 0.717 -6.356 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.718 -6.187 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.144 -7.715 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.335 -6.396 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.437 -4.147 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.019 -4.320 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.550 -4.100 -1.890 1.00 0.00 H new ATOM 146 N ALA A 10 1.669 -8.932 -2.527 1.00 0.00 N ATOM 147 CA ALA A 10 1.779 -10.390 -2.637 1.00 0.00 C ATOM 148 C ALA A 10 2.880 -10.825 -3.629 1.00 0.00 C ATOM 149 O ALA A 10 3.774 -11.595 -3.251 1.00 0.00 O ATOM 150 CB ALA A 10 0.409 -10.976 -2.995 1.00 0.00 C ATOM 0 H ALA A 10 0.744 -8.567 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 10 2.088 -10.789 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.487 -12.060 -3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.310 -10.722 -2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.074 -10.563 -3.946 1.00 0.00 H new ATOM 156 N LEU A 11 2.894 -10.273 -4.857 1.00 0.00 N ATOM 157 CA LEU A 11 4.013 -10.500 -5.779 1.00 0.00 C ATOM 158 C LEU A 11 5.355 -10.027 -5.199 1.00 0.00 C ATOM 159 O LEU A 11 6.326 -10.770 -5.275 1.00 0.00 O ATOM 160 CB LEU A 11 3.739 -9.878 -7.159 1.00 0.00 C ATOM 161 CG LEU A 11 4.928 -10.086 -8.128 1.00 0.00 C ATOM 162 CD1 LEU A 11 4.439 -10.389 -9.540 1.00 0.00 C ATOM 163 CD2 LEU A 11 5.837 -8.853 -8.187 1.00 0.00 C ATOM 0 H LEU A 11 2.153 -9.676 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 11 4.097 -11.578 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.840 -10.322 -7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.545 -8.812 -7.045 1.00 0.00 H new ATOM 0 HG LEU A 11 5.495 -10.932 -7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.296 -10.530 -10.199 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.836 -11.297 -9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.836 -9.557 -9.903 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.659 -9.040 -8.878 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.262 -7.993 -8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.237 -8.648 -7.194 1.00 0.00 H new ATOM 175 N TYR A 12 5.430 -8.832 -4.606 1.00 0.00 N ATOM 176 CA TYR A 12 6.652 -8.299 -3.990 1.00 0.00 C ATOM 177 C TYR A 12 7.205 -9.235 -2.909 1.00 0.00 C ATOM 178 O TYR A 12 8.404 -9.513 -2.905 1.00 0.00 O ATOM 179 CB TYR A 12 6.379 -6.889 -3.441 1.00 0.00 C ATOM 180 CG TYR A 12 7.282 -6.413 -2.318 1.00 0.00 C ATOM 181 CD1 TYR A 12 8.684 -6.470 -2.442 1.00 0.00 C ATOM 182 CD2 TYR A 12 6.706 -5.934 -1.124 1.00 0.00 C ATOM 183 CE1 TYR A 12 9.506 -6.067 -1.374 1.00 0.00 C ATOM 184 CE2 TYR A 12 7.524 -5.522 -0.057 1.00 0.00 C ATOM 185 CZ TYR A 12 8.930 -5.598 -0.173 1.00 0.00 C ATOM 186 OH TYR A 12 9.733 -5.229 0.863 1.00 0.00 O ATOM 0 H TYR A 12 4.634 -8.198 -4.539 1.00 0.00 H new ATOM 0 HA TYR A 12 7.425 -8.232 -4.756 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.458 -6.181 -4.266 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.348 -6.854 -3.088 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.129 -6.824 -3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.631 -5.883 -1.028 1.00 0.00 H new ATOM 0 HE1 TYR A 12 10.580 -6.116 -1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.077 -5.147 0.852 1.00 0.00 H new ATOM 0 HH TYR A 12 9.180 -4.929 1.615 1.00 0.00 H new ATOM 196 N LYS A 13 6.349 -9.786 -2.038 1.00 0.00 N ATOM 197 CA LYS A 13 6.755 -10.776 -1.035 1.00 0.00 C ATOM 198 C LYS A 13 7.274 -12.057 -1.683 1.00 0.00 C ATOM 199 O LYS A 13 8.341 -12.529 -1.288 1.00 0.00 O ATOM 200 CB LYS A 13 5.597 -11.060 -0.064 1.00 0.00 C ATOM 201 CG LYS A 13 5.366 -9.888 0.904 1.00 0.00 C ATOM 202 CD LYS A 13 4.148 -10.148 1.800 1.00 0.00 C ATOM 203 CE LYS A 13 3.962 -8.989 2.787 1.00 0.00 C ATOM 204 NZ LYS A 13 2.805 -9.223 3.693 1.00 0.00 N ATOM 0 H LYS A 13 5.355 -9.557 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 13 7.583 -10.357 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.685 -11.249 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.812 -11.965 0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.252 -9.742 1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.216 -8.968 0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.254 -10.261 1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.281 -11.082 2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.869 -8.865 3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.811 -8.061 2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.708 -8.420 4.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.936 -9.317 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.961 -10.096 4.237 1.00 0.00 H new ATOM 218 N TYR A 14 6.610 -12.593 -2.713 1.00 0.00 N ATOM 219 CA TYR A 14 7.098 -13.781 -3.425 1.00 0.00 C ATOM 220 C TYR A 14 8.412 -13.522 -4.175 1.00 0.00 C ATOM 221 O TYR A 14 9.286 -14.386 -4.207 1.00 0.00 O ATOM 222 CB TYR A 14 5.982 -14.212 -4.393 1.00 0.00 C ATOM 223 CG TYR A 14 6.371 -15.239 -5.440 1.00 0.00 C ATOM 224 CD1 TYR A 14 6.411 -16.607 -5.112 1.00 0.00 C ATOM 225 CD2 TYR A 14 6.664 -14.821 -6.754 1.00 0.00 C ATOM 226 CE1 TYR A 14 6.747 -17.560 -6.094 1.00 0.00 C ATOM 227 CE2 TYR A 14 6.991 -15.770 -7.740 1.00 0.00 C ATOM 228 CZ TYR A 14 7.033 -17.143 -7.414 1.00 0.00 C ATOM 229 OH TYR A 14 7.354 -18.055 -8.372 1.00 0.00 O ATOM 0 H TYR A 14 5.731 -12.222 -3.073 1.00 0.00 H new ATOM 0 HA TYR A 14 7.326 -14.571 -2.709 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.155 -14.614 -3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.608 -13.325 -4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.184 -16.927 -4.106 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.637 -13.771 -7.004 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.786 -18.609 -5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.210 -15.448 -8.747 1.00 0.00 H new ATOM 0 HH TYR A 14 7.519 -17.594 -9.221 1.00 0.00 H new ATOM 239 N MET A 15 8.565 -12.325 -4.738 1.00 0.00 N ATOM 240 CA MET A 15 9.751 -11.847 -5.439 1.00 0.00 C ATOM 241 C MET A 15 10.951 -11.665 -4.491 1.00 0.00 C ATOM 242 O MET A 15 12.045 -12.160 -4.776 1.00 0.00 O ATOM 243 CB MET A 15 9.359 -10.553 -6.167 1.00 0.00 C ATOM 244 CG MET A 15 10.579 -9.827 -6.706 1.00 0.00 C ATOM 245 SD MET A 15 10.236 -8.502 -7.899 1.00 0.00 S ATOM 246 CE MET A 15 9.775 -9.472 -9.361 1.00 0.00 C ATOM 0 H MET A 15 7.823 -11.626 -4.715 1.00 0.00 H new ATOM 0 HA MET A 15 10.089 -12.586 -6.165 1.00 0.00 H new ATOM 0 HB2 MET A 15 8.681 -10.787 -6.988 1.00 0.00 H new ATOM 0 HB3 MET A 15 8.818 -9.899 -5.483 1.00 0.00 H new ATOM 0 HG2 MET A 15 11.128 -9.402 -5.866 1.00 0.00 H new ATOM 0 HG3 MET A 15 11.235 -10.557 -7.179 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.656 -8.807 -10.216 1.00 0.00 H new ATOM 0 HE2 MET A 15 10.556 -10.201 -9.575 1.00 0.00 H new ATOM 0 HE3 MET A 15 8.836 -9.991 -9.172 1.00 0.00 H new ATOM 256 N LYS A 16 10.760 -11.026 -3.328 1.00 0.00 N ATOM 257 CA LYS A 16 11.782 -10.995 -2.265 1.00 0.00 C ATOM 258 C LYS A 16 12.177 -12.410 -1.827 1.00 0.00 C ATOM 259 O LYS A 16 13.360 -12.711 -1.698 1.00 0.00 O ATOM 260 CB LYS A 16 11.233 -10.134 -1.115 1.00 0.00 C ATOM 261 CG LYS A 16 12.254 -9.878 0.003 1.00 0.00 C ATOM 262 CD LYS A 16 11.707 -8.827 0.981 1.00 0.00 C ATOM 263 CE LYS A 16 12.741 -8.500 2.063 1.00 0.00 C ATOM 264 NZ LYS A 16 12.243 -7.443 2.983 1.00 0.00 N ATOM 0 H LYS A 16 9.905 -10.521 -3.096 1.00 0.00 H new ATOM 0 HA LYS A 16 12.706 -10.547 -2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.899 -9.177 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.357 -10.625 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.465 -10.806 0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.196 -9.534 -0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.444 -7.920 0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.793 -9.197 1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.973 -9.401 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.669 -8.171 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.965 -7.243 3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.045 -6.577 2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.371 -7.769 3.446 1.00 0.00 H new ATOM 278 N GLU A 17 11.193 -13.302 -1.731 1.00 0.00 N ATOM 279 CA GLU A 17 11.442 -14.734 -1.463 1.00 0.00 C ATOM 280 C GLU A 17 12.042 -15.531 -2.644 1.00 0.00 C ATOM 281 O GLU A 17 12.439 -16.685 -2.461 1.00 0.00 O ATOM 282 CB GLU A 17 10.188 -15.402 -0.873 1.00 0.00 C ATOM 283 CG GLU A 17 9.975 -15.028 0.603 1.00 0.00 C ATOM 284 CD GLU A 17 10.981 -15.743 1.532 1.00 0.00 C ATOM 285 OE1 GLU A 17 12.165 -15.325 1.602 1.00 0.00 O ATOM 286 OE2 GLU A 17 10.600 -16.739 2.194 1.00 0.00 O ATOM 0 H GLU A 17 10.206 -13.065 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 17 12.235 -14.759 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.313 -15.105 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.278 -16.485 -0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.075 -13.949 0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.959 -15.288 0.900 1.00 0.00 H new ATOM 293 N ARG A 18 12.195 -14.900 -3.821 1.00 0.00 N ATOM 294 CA ARG A 18 13.019 -15.475 -4.910 1.00 0.00 C ATOM 295 C ARG A 18 14.490 -15.023 -4.769 1.00 0.00 C ATOM 296 O ARG A 18 15.336 -15.405 -5.579 1.00 0.00 O ATOM 297 CB ARG A 18 12.430 -15.076 -6.284 1.00 0.00 C ATOM 298 CG ARG A 18 11.760 -16.217 -7.065 1.00 0.00 C ATOM 299 CD ARG A 18 10.480 -16.763 -6.421 1.00 0.00 C ATOM 300 NE ARG A 18 10.744 -17.862 -5.470 1.00 0.00 N ATOM 301 CZ ARG A 18 10.164 -18.069 -4.301 1.00 0.00 C ATOM 302 NH1 ARG A 18 9.370 -17.199 -3.746 1.00 0.00 N ATOM 303 NH2 ARG A 18 10.370 -19.183 -3.658 1.00 0.00 N ATOM 0 H ARG A 18 11.766 -14.002 -4.046 1.00 0.00 H new ATOM 0 HA ARG A 18 13.001 -16.563 -4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.698 -14.283 -6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.229 -14.658 -6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.524 -15.864 -8.069 1.00 0.00 H new ATOM 0 HG3 ARG A 18 12.474 -17.034 -7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.966 -15.954 -5.902 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.808 -17.118 -7.202 1.00 0.00 H new ATOM 0 HE ARG A 18 11.455 -18.538 -5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.174 -16.315 -4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.944 -17.401 -2.842 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.980 -19.897 -4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.922 -19.341 -2.756 1.00 0.00 H new ATOM 317 N LYS A 19 14.788 -14.218 -3.734 1.00 0.00 N ATOM 318 CA LYS A 19 16.081 -13.625 -3.355 1.00 0.00 C ATOM 319 C LYS A 19 16.555 -12.569 -4.362 1.00 0.00 C ATOM 320 O LYS A 19 17.751 -12.420 -4.620 1.00 0.00 O ATOM 321 CB LYS A 19 17.112 -14.709 -2.966 1.00 0.00 C ATOM 322 CG LYS A 19 16.588 -15.784 -1.986 1.00 0.00 C ATOM 323 CD LYS A 19 15.948 -15.233 -0.696 1.00 0.00 C ATOM 324 CE LYS A 19 15.552 -16.394 0.227 1.00 0.00 C ATOM 325 NZ LYS A 19 14.895 -15.924 1.477 1.00 0.00 N ATOM 0 H LYS A 19 14.058 -13.940 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 19 15.946 -13.050 -2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 19 17.458 -15.203 -3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.978 -14.222 -2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 19 15.853 -16.399 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.415 -16.439 -1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.649 -14.573 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.070 -14.636 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.877 -17.064 -0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.440 -16.972 0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.025 -16.634 2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.322 -15.024 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.879 -15.785 1.304 1.00 0.00 H new ATOM 339 N THR A 20 15.585 -11.833 -4.920 1.00 0.00 N ATOM 340 CA THR A 20 15.853 -10.717 -5.834 1.00 0.00 C ATOM 341 C THR A 20 14.734 -9.659 -5.675 1.00 0.00 C ATOM 342 O THR A 20 13.752 -9.663 -6.419 1.00 0.00 O ATOM 343 CB THR A 20 16.096 -11.238 -7.268 1.00 0.00 C ATOM 344 OG1 THR A 20 16.422 -10.182 -8.146 1.00 0.00 O ATOM 345 CG2 THR A 20 14.965 -12.060 -7.895 1.00 0.00 C ATOM 0 H THR A 20 14.592 -11.995 -4.750 1.00 0.00 H new ATOM 0 HA THR A 20 16.781 -10.203 -5.583 1.00 0.00 H new ATOM 0 HB THR A 20 16.930 -11.927 -7.139 1.00 0.00 H new ATOM 0 HG1 THR A 20 17.130 -10.472 -8.758 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.253 -12.368 -8.900 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.776 -12.943 -7.285 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.060 -11.454 -7.947 1.00 0.00 H new ATOM 353 N PRO A 21 14.794 -8.810 -4.624 1.00 0.00 N ATOM 354 CA PRO A 21 13.687 -7.929 -4.226 1.00 0.00 C ATOM 355 C PRO A 21 13.339 -6.843 -5.255 1.00 0.00 C ATOM 356 O PRO A 21 14.180 -6.407 -6.042 1.00 0.00 O ATOM 357 CB PRO A 21 14.100 -7.324 -2.879 1.00 0.00 C ATOM 358 CG PRO A 21 15.625 -7.375 -2.913 1.00 0.00 C ATOM 359 CD PRO A 21 15.911 -8.652 -3.701 1.00 0.00 C ATOM 0 HA PRO A 21 12.767 -8.509 -4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.736 -6.302 -2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.699 -7.896 -2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.047 -6.497 -3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.050 -7.417 -1.910 1.00 0.00 H new ATOM 0 HD2 PRO A 21 16.855 -8.575 -4.240 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.993 -9.512 -3.036 1.00 0.00 H new ATOM 367 N ILE A 22 12.082 -6.384 -5.203 1.00 0.00 N ATOM 368 CA ILE A 22 11.507 -5.508 -6.245 1.00 0.00 C ATOM 369 C ILE A 22 12.249 -4.182 -6.477 1.00 0.00 C ATOM 370 O ILE A 22 12.276 -3.680 -7.601 1.00 0.00 O ATOM 371 CB ILE A 22 10.004 -5.310 -5.944 1.00 0.00 C ATOM 372 CG1 ILE A 22 9.203 -4.932 -7.205 1.00 0.00 C ATOM 373 CG2 ILE A 22 9.771 -4.304 -4.799 1.00 0.00 C ATOM 374 CD1 ILE A 22 7.692 -5.110 -7.005 1.00 0.00 C ATOM 0 H ILE A 22 11.435 -6.604 -4.446 1.00 0.00 H new ATOM 0 HA ILE A 22 11.635 -6.016 -7.201 1.00 0.00 H new ATOM 0 HB ILE A 22 9.626 -6.275 -5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.413 -3.896 -7.470 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.532 -5.548 -8.041 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.701 -4.196 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 22 10.254 -4.667 -3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.193 -3.337 -5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.169 -4.832 -7.920 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.477 -6.152 -6.766 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.356 -4.473 -6.187 1.00 0.00 H new ATOM 386 N GLU A 23 12.917 -3.643 -5.451 1.00 0.00 N ATOM 387 CA GLU A 23 13.723 -2.414 -5.583 1.00 0.00 C ATOM 388 C GLU A 23 14.926 -2.524 -6.546 1.00 0.00 C ATOM 389 O GLU A 23 15.561 -1.512 -6.856 1.00 0.00 O ATOM 390 CB GLU A 23 14.196 -1.955 -4.191 1.00 0.00 C ATOM 391 CG GLU A 23 13.028 -1.620 -3.253 1.00 0.00 C ATOM 392 CD GLU A 23 13.537 -1.000 -1.936 1.00 0.00 C ATOM 393 OE1 GLU A 23 13.957 -1.755 -1.026 1.00 0.00 O ATOM 394 OE2 GLU A 23 13.517 0.248 -1.799 1.00 0.00 O ATOM 0 H GLU A 23 12.918 -4.039 -4.511 1.00 0.00 H new ATOM 0 HA GLU A 23 13.063 -1.673 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.805 -2.739 -3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.834 -1.078 -4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.348 -0.926 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.459 -2.524 -3.037 1.00 0.00 H new ATOM 401 N ARG A 24 15.235 -3.728 -7.057 1.00 0.00 N ATOM 402 CA ARG A 24 16.187 -3.951 -8.163 1.00 0.00 C ATOM 403 C ARG A 24 15.829 -3.171 -9.440 1.00 0.00 C ATOM 404 O ARG A 24 16.710 -2.862 -10.244 1.00 0.00 O ATOM 405 CB ARG A 24 16.286 -5.463 -8.449 1.00 0.00 C ATOM 406 CG ARG A 24 15.013 -6.048 -9.096 1.00 0.00 C ATOM 407 CD ARG A 24 14.998 -7.579 -9.104 1.00 0.00 C ATOM 408 NE ARG A 24 13.884 -8.076 -9.939 1.00 0.00 N ATOM 409 CZ ARG A 24 13.872 -9.190 -10.645 1.00 0.00 C ATOM 410 NH1 ARG A 24 14.800 -10.094 -10.528 1.00 0.00 N ATOM 411 NH2 ARG A 24 12.917 -9.416 -11.503 1.00 0.00 N ATOM 0 H ARG A 24 14.822 -4.592 -6.707 1.00 0.00 H new ATOM 0 HA ARG A 24 17.156 -3.567 -7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 24 17.136 -5.646 -9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 24 16.485 -5.990 -7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.138 -5.684 -8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.932 -5.684 -10.120 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.946 -7.957 -9.487 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.894 -7.954 -8.086 1.00 0.00 H new ATOM 0 HE ARG A 24 13.042 -7.501 -9.972 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.570 -9.953 -9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.758 -10.944 -11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.174 -8.729 -11.631 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.913 -10.279 -12.046 1.00 0.00 H new ATOM 425 N ILE A 25 14.540 -2.879 -9.638 1.00 0.00 N ATOM 426 CA ILE A 25 13.987 -2.185 -10.809 1.00 0.00 C ATOM 427 C ILE A 25 14.293 -0.667 -10.719 1.00 0.00 C ATOM 428 O ILE A 25 14.155 -0.091 -9.634 1.00 0.00 O ATOM 429 CB ILE A 25 12.464 -2.466 -10.895 1.00 0.00 C ATOM 430 CG1 ILE A 25 12.193 -3.989 -11.016 1.00 0.00 C ATOM 431 CG2 ILE A 25 11.824 -1.747 -12.095 1.00 0.00 C ATOM 432 CD1 ILE A 25 10.718 -4.373 -10.868 1.00 0.00 C ATOM 0 H ILE A 25 13.821 -3.130 -8.959 1.00 0.00 H new ATOM 0 HA ILE A 25 14.453 -2.556 -11.722 1.00 0.00 H new ATOM 0 HB ILE A 25 12.017 -2.085 -9.977 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.553 -4.336 -11.985 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.772 -4.512 -10.255 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.757 -1.967 -12.124 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.971 -0.672 -11.995 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.291 -2.093 -13.017 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.612 -5.453 -10.965 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.357 -4.059 -9.889 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.134 -3.880 -11.645 1.00 0.00 H new ATOM 444 N PRO A 26 14.701 -0.004 -11.825 1.00 0.00 N ATOM 445 CA PRO A 26 14.940 1.444 -11.897 1.00 0.00 C ATOM 446 C PRO A 26 13.613 2.248 -11.987 1.00 0.00 C ATOM 447 O PRO A 26 12.630 1.890 -11.338 1.00 0.00 O ATOM 448 CB PRO A 26 15.881 1.589 -13.104 1.00 0.00 C ATOM 449 CG PRO A 26 15.363 0.523 -14.064 1.00 0.00 C ATOM 450 CD PRO A 26 15.033 -0.619 -13.107 1.00 0.00 C ATOM 0 HA PRO A 26 15.396 1.866 -11.001 1.00 0.00 H new ATOM 0 HB2 PRO A 26 15.829 2.586 -13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 26 16.921 1.415 -12.829 1.00 0.00 H new ATOM 0 HG2 PRO A 26 14.486 0.861 -14.617 1.00 0.00 H new ATOM 0 HG3 PRO A 26 16.113 0.236 -14.801 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.197 -1.210 -13.482 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.881 -1.296 -13.004 1.00 0.00 H new ATOM 458 N TYR A 27 13.577 3.343 -12.759 1.00 0.00 N ATOM 459 CA TYR A 27 12.428 4.271 -12.788 1.00 0.00 C ATOM 460 C TYR A 27 11.823 4.377 -14.200 1.00 0.00 C ATOM 461 O TYR A 27 12.534 4.233 -15.199 1.00 0.00 O ATOM 462 CB TYR A 27 12.903 5.663 -12.320 1.00 0.00 C ATOM 463 CG TYR A 27 13.422 5.735 -10.890 1.00 0.00 C ATOM 464 CD1 TYR A 27 14.730 5.311 -10.581 1.00 0.00 C ATOM 465 CD2 TYR A 27 12.602 6.257 -9.870 1.00 0.00 C ATOM 466 CE1 TYR A 27 15.204 5.371 -9.255 1.00 0.00 C ATOM 467 CE2 TYR A 27 13.071 6.322 -8.543 1.00 0.00 C ATOM 468 CZ TYR A 27 14.372 5.872 -8.230 1.00 0.00 C ATOM 469 OH TYR A 27 14.819 5.937 -6.945 1.00 0.00 O ATOM 0 H TYR A 27 14.339 3.614 -13.381 1.00 0.00 H new ATOM 0 HA TYR A 27 11.653 3.888 -12.124 1.00 0.00 H new ATOM 0 HB2 TYR A 27 13.692 6.003 -12.991 1.00 0.00 H new ATOM 0 HB3 TYR A 27 12.074 6.363 -12.422 1.00 0.00 H new ATOM 0 HD1 TYR A 27 15.373 4.938 -11.365 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.609 6.609 -10.107 1.00 0.00 H new ATOM 0 HE1 TYR A 27 16.203 5.034 -9.023 1.00 0.00 H new ATOM 0 HE2 TYR A 27 12.435 6.716 -7.765 1.00 0.00 H new ATOM 0 HH TYR A 27 14.116 6.308 -6.372 1.00 0.00 H new ATOM 479 N LEU A 28 10.526 4.703 -14.303 1.00 0.00 N ATOM 480 CA LEU A 28 9.813 4.941 -15.574 1.00 0.00 C ATOM 481 C LEU A 28 10.070 6.377 -16.085 1.00 0.00 C ATOM 482 O LEU A 28 9.156 7.185 -16.254 1.00 0.00 O ATOM 483 CB LEU A 28 8.316 4.575 -15.409 1.00 0.00 C ATOM 484 CG LEU A 28 7.544 4.106 -16.665 1.00 0.00 C ATOM 485 CD1 LEU A 28 7.447 5.145 -17.783 1.00 0.00 C ATOM 486 CD2 LEU A 28 8.119 2.829 -17.265 1.00 0.00 C ATOM 0 H LEU A 28 9.926 4.812 -13.486 1.00 0.00 H new ATOM 0 HA LEU A 28 10.202 4.288 -16.356 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.245 3.787 -14.659 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.801 5.447 -15.006 1.00 0.00 H new ATOM 0 HG LEU A 28 6.540 3.928 -16.279 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.889 4.727 -18.621 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.934 6.032 -17.412 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.449 5.418 -18.114 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.539 2.546 -18.143 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.156 2.998 -17.554 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.074 2.028 -16.527 1.00 0.00 H new ATOM 498 N GLY A 29 11.349 6.740 -16.220 1.00 0.00 N ATOM 499 CA GLY A 29 11.758 8.040 -16.766 1.00 0.00 C ATOM 500 C GLY A 29 11.729 9.188 -15.749 1.00 0.00 C ATOM 501 O GLY A 29 12.676 9.975 -15.701 1.00 0.00 O ATOM 0 H GLY A 29 12.131 6.142 -15.954 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.767 7.951 -17.168 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.104 8.293 -17.601 1.00 0.00 H new ATOM 505 N PHE A 30 10.676 9.260 -14.928 1.00 0.00 N ATOM 506 CA PHE A 30 10.521 10.228 -13.831 1.00 0.00 C ATOM 507 C PHE A 30 9.797 9.687 -12.574 1.00 0.00 C ATOM 508 O PHE A 30 9.668 10.428 -11.594 1.00 0.00 O ATOM 509 CB PHE A 30 9.773 11.481 -14.346 1.00 0.00 C ATOM 510 CG PHE A 30 10.523 12.423 -15.275 1.00 0.00 C ATOM 511 CD1 PHE A 30 11.800 12.908 -14.927 1.00 0.00 C ATOM 512 CD2 PHE A 30 9.891 12.916 -16.435 1.00 0.00 C ATOM 513 CE1 PHE A 30 12.449 13.852 -15.742 1.00 0.00 C ATOM 514 CE2 PHE A 30 10.533 13.875 -17.239 1.00 0.00 C ATOM 515 CZ PHE A 30 11.815 14.337 -16.899 1.00 0.00 C ATOM 0 H PHE A 30 9.881 8.626 -15.009 1.00 0.00 H new ATOM 0 HA PHE A 30 11.536 10.465 -13.511 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.874 11.145 -14.864 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.446 12.055 -13.479 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.283 12.552 -14.029 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.910 12.556 -16.707 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.435 14.205 -15.479 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.039 14.257 -18.120 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.312 15.063 -17.525 1.00 0.00 H new ATOM 525 N LYS A 31 9.325 8.426 -12.565 1.00 0.00 N ATOM 526 CA LYS A 31 8.502 7.889 -11.454 1.00 0.00 C ATOM 527 C LYS A 31 8.925 6.487 -11.010 1.00 0.00 C ATOM 528 O LYS A 31 9.399 5.677 -11.807 1.00 0.00 O ATOM 529 CB LYS A 31 7.001 7.988 -11.801 1.00 0.00 C ATOM 530 CG LYS A 31 6.578 7.198 -13.054 1.00 0.00 C ATOM 531 CD LYS A 31 5.067 7.270 -13.350 1.00 0.00 C ATOM 532 CE LYS A 31 4.497 8.691 -13.520 1.00 0.00 C ATOM 533 NZ LYS A 31 4.972 9.371 -14.756 1.00 0.00 N ATOM 0 H LYS A 31 9.498 7.756 -13.314 1.00 0.00 H new ATOM 0 HA LYS A 31 8.682 8.515 -10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.421 7.631 -10.950 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.744 9.037 -11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.127 7.579 -13.915 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.866 6.154 -12.929 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.864 6.704 -14.259 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.531 6.776 -12.540 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.408 8.639 -13.538 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.773 9.292 -12.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.974 10.400 -14.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.936 9.052 -14.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.338 9.137 -15.547 1.00 0.00 H new ATOM 547 N GLN A 32 8.746 6.211 -9.718 1.00 0.00 N ATOM 548 CA GLN A 32 9.253 5.044 -8.974 1.00 0.00 C ATOM 549 C GLN A 32 8.447 3.740 -9.176 1.00 0.00 C ATOM 550 O GLN A 32 8.237 2.980 -8.231 1.00 0.00 O ATOM 551 CB GLN A 32 9.455 5.454 -7.495 1.00 0.00 C ATOM 552 CG GLN A 32 8.212 5.516 -6.581 1.00 0.00 C ATOM 553 CD GLN A 32 6.992 6.195 -7.197 1.00 0.00 C ATOM 554 OE1 GLN A 32 7.033 7.335 -7.643 1.00 0.00 O ATOM 555 NE2 GLN A 32 5.869 5.513 -7.282 1.00 0.00 N ATOM 0 H GLN A 32 8.207 6.835 -9.118 1.00 0.00 H new ATOM 0 HA GLN A 32 10.219 4.764 -9.395 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.162 4.755 -7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.927 6.436 -7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.938 4.500 -6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.479 6.043 -5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.820 4.563 -6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.048 5.935 -7.715 1.00 0.00 H new ATOM 564 N ILE A 33 7.997 3.486 -10.413 1.00 0.00 N ATOM 565 CA ILE A 33 7.211 2.285 -10.751 1.00 0.00 C ATOM 566 C ILE A 33 5.899 2.214 -9.940 1.00 0.00 C ATOM 567 O ILE A 33 5.677 1.326 -9.115 1.00 0.00 O ATOM 568 CB ILE A 33 8.094 1.014 -10.690 1.00 0.00 C ATOM 569 CG1 ILE A 33 9.474 1.167 -11.371 1.00 0.00 C ATOM 570 CG2 ILE A 33 7.380 -0.215 -11.283 1.00 0.00 C ATOM 571 CD1 ILE A 33 9.451 1.465 -12.876 1.00 0.00 C ATOM 0 H ILE A 33 8.166 4.104 -11.207 1.00 0.00 H new ATOM 0 HA ILE A 33 6.880 2.353 -11.787 1.00 0.00 H new ATOM 0 HB ILE A 33 8.268 0.864 -9.624 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.017 1.968 -10.870 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.040 0.249 -11.211 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.036 -1.083 -11.219 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.465 -0.410 -10.723 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.132 -0.023 -12.327 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.473 1.552 -13.245 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.943 0.655 -13.400 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.921 2.400 -13.054 1.00 0.00 H new ATOM 583 N ASN A 34 5.015 3.192 -10.173 1.00 0.00 N ATOM 584 CA ASN A 34 3.631 3.249 -9.668 1.00 0.00 C ATOM 585 C ASN A 34 2.743 2.185 -10.367 1.00 0.00 C ATOM 586 O ASN A 34 1.789 2.499 -11.080 1.00 0.00 O ATOM 587 CB ASN A 34 3.133 4.700 -9.847 1.00 0.00 C ATOM 588 CG ASN A 34 1.918 5.019 -8.992 1.00 0.00 C ATOM 589 OD1 ASN A 34 1.836 4.664 -7.825 1.00 0.00 O ATOM 590 ND2 ASN A 34 0.949 5.724 -9.523 1.00 0.00 N ATOM 0 H ASN A 34 5.252 4.003 -10.744 1.00 0.00 H new ATOM 0 HA ASN A 34 3.579 2.998 -8.609 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.939 5.389 -9.595 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.887 4.867 -10.896 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.133 5.973 -8.963 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.010 6.024 -10.496 1.00 0.00 H new ATOM 597 N LEU A 35 3.120 0.912 -10.216 1.00 0.00 N ATOM 598 CA LEU A 35 2.655 -0.241 -10.992 1.00 0.00 C ATOM 599 C LEU A 35 1.132 -0.401 -11.153 1.00 0.00 C ATOM 600 O LEU A 35 0.697 -0.667 -12.262 1.00 0.00 O ATOM 601 CB LEU A 35 3.359 -1.502 -10.450 1.00 0.00 C ATOM 602 CG LEU A 35 3.551 -2.694 -11.411 1.00 0.00 C ATOM 603 CD1 LEU A 35 2.270 -3.314 -11.949 1.00 0.00 C ATOM 604 CD2 LEU A 35 4.391 -2.344 -12.637 1.00 0.00 C ATOM 0 H LEU A 35 3.800 0.643 -9.505 1.00 0.00 H new ATOM 0 HA LEU A 35 2.942 -0.061 -12.028 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.342 -1.205 -10.086 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.793 -1.856 -9.588 1.00 0.00 H new ATOM 0 HG LEU A 35 4.055 -3.413 -10.765 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.518 -4.142 -12.613 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.668 -3.683 -11.119 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.706 -2.562 -12.501 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.490 -3.223 -13.274 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.904 -1.545 -13.195 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.380 -2.014 -12.318 1.00 0.00 H new ATOM 616 N TRP A 36 0.292 -0.168 -10.140 1.00 0.00 N ATOM 617 CA TRP A 36 -1.183 -0.203 -10.301 1.00 0.00 C ATOM 618 C TRP A 36 -1.691 0.734 -11.435 1.00 0.00 C ATOM 619 O TRP A 36 -2.613 0.396 -12.193 1.00 0.00 O ATOM 620 CB TRP A 36 -1.841 0.131 -8.956 1.00 0.00 C ATOM 621 CG TRP A 36 -1.654 1.530 -8.451 1.00 0.00 C ATOM 622 CD1 TRP A 36 -0.541 2.018 -7.858 1.00 0.00 C ATOM 623 CD2 TRP A 36 -2.603 2.640 -8.485 1.00 0.00 C ATOM 624 NE1 TRP A 36 -0.720 3.353 -7.562 1.00 0.00 N ATOM 625 CE2 TRP A 36 -1.977 3.790 -7.918 1.00 0.00 C ATOM 626 CE3 TRP A 36 -3.938 2.784 -8.919 1.00 0.00 C ATOM 627 CZ2 TRP A 36 -2.629 5.028 -7.813 1.00 0.00 C ATOM 628 CZ3 TRP A 36 -4.606 4.022 -8.820 1.00 0.00 C ATOM 629 CH2 TRP A 36 -3.953 5.142 -8.274 1.00 0.00 C ATOM 0 H TRP A 36 0.600 0.049 -9.192 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.468 -1.210 -10.607 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.911 -0.061 -9.042 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.453 -0.558 -8.206 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.352 1.449 -7.648 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.009 3.944 -7.132 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.457 1.932 -9.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.122 5.880 -7.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.625 4.111 -9.166 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.468 6.089 -8.209 1.00 0.00 H new ATOM 640 N THR A 37 -1.042 1.895 -11.607 1.00 0.00 N ATOM 641 CA THR A 37 -1.295 2.833 -12.720 1.00 0.00 C ATOM 642 C THR A 37 -0.729 2.314 -14.044 1.00 0.00 C ATOM 643 O THR A 37 -1.408 2.396 -15.064 1.00 0.00 O ATOM 644 CB THR A 37 -0.740 4.236 -12.423 1.00 0.00 C ATOM 645 OG1 THR A 37 -1.376 4.756 -11.277 1.00 0.00 O ATOM 646 CG2 THR A 37 -1.014 5.248 -13.537 1.00 0.00 C ATOM 0 H THR A 37 -0.314 2.217 -10.969 1.00 0.00 H new ATOM 0 HA THR A 37 -2.378 2.907 -12.818 1.00 0.00 H new ATOM 0 HB THR A 37 0.336 4.108 -12.305 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.144 5.703 -11.176 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.595 6.216 -13.261 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.553 4.904 -14.463 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.090 5.347 -13.682 1.00 0.00 H new ATOM 654 N MET A 38 0.468 1.720 -14.057 1.00 0.00 N ATOM 655 CA MET A 38 1.017 1.056 -15.254 1.00 0.00 C ATOM 656 C MET A 38 0.174 -0.145 -15.710 1.00 0.00 C ATOM 657 O MET A 38 -0.008 -0.346 -16.909 1.00 0.00 O ATOM 658 CB MET A 38 2.481 0.674 -14.994 1.00 0.00 C ATOM 659 CG MET A 38 3.139 -0.048 -16.178 1.00 0.00 C ATOM 660 SD MET A 38 4.869 0.411 -16.460 1.00 0.00 S ATOM 661 CE MET A 38 5.660 -0.230 -14.960 1.00 0.00 C ATOM 0 H MET A 38 1.085 1.683 -13.245 1.00 0.00 H new ATOM 0 HA MET A 38 0.977 1.761 -16.085 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.050 1.576 -14.766 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.531 0.034 -14.113 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.083 -1.123 -16.010 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.567 0.163 -17.081 1.00 0.00 H new ATOM 0 HE1 MET A 38 6.702 0.088 -14.934 1.00 0.00 H new ATOM 0 HE2 MET A 38 5.141 0.155 -14.082 1.00 0.00 H new ATOM 0 HE3 MET A 38 5.612 -1.319 -14.961 1.00 0.00 H new ATOM 671 N PHE A 39 -0.395 -0.892 -14.763 1.00 0.00 N ATOM 672 CA PHE A 39 -1.346 -1.957 -15.062 1.00 0.00 C ATOM 673 C PHE A 39 -2.606 -1.408 -15.725 1.00 0.00 C ATOM 674 O PHE A 39 -2.887 -1.783 -16.862 1.00 0.00 O ATOM 675 CB PHE A 39 -1.689 -2.715 -13.777 1.00 0.00 C ATOM 676 CG PHE A 39 -2.708 -3.819 -13.989 1.00 0.00 C ATOM 677 CD1 PHE A 39 -2.439 -4.867 -14.892 1.00 0.00 C ATOM 678 CD2 PHE A 39 -3.939 -3.785 -13.306 1.00 0.00 C ATOM 679 CE1 PHE A 39 -3.381 -5.889 -15.087 1.00 0.00 C ATOM 680 CE2 PHE A 39 -4.891 -4.798 -13.518 1.00 0.00 C ATOM 681 CZ PHE A 39 -4.609 -5.849 -14.408 1.00 0.00 C ATOM 0 H PHE A 39 -0.208 -0.774 -13.767 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.885 -2.646 -15.769 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.777 -3.145 -13.362 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.074 -2.011 -13.039 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.506 -4.884 -15.435 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.152 -2.980 -12.618 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.161 -6.706 -15.759 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.837 -4.769 -12.998 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.339 -6.628 -14.570 1.00 0.00 H new ATOM 691 N GLN A 40 -3.344 -0.488 -15.085 1.00 0.00 N ATOM 692 CA GLN A 40 -4.560 0.038 -15.730 1.00 0.00 C ATOM 693 C GLN A 40 -4.262 0.784 -17.047 1.00 0.00 C ATOM 694 O GLN A 40 -5.043 0.677 -17.991 1.00 0.00 O ATOM 695 CB GLN A 40 -5.404 0.858 -14.742 1.00 0.00 C ATOM 696 CG GLN A 40 -4.801 2.228 -14.417 1.00 0.00 C ATOM 697 CD GLN A 40 -5.365 2.819 -13.132 1.00 0.00 C ATOM 698 OE1 GLN A 40 -6.218 3.696 -13.130 1.00 0.00 O ATOM 699 NE2 GLN A 40 -4.899 2.359 -11.993 1.00 0.00 N ATOM 0 H GLN A 40 -3.135 -0.106 -14.163 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.168 -0.818 -16.024 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.402 0.998 -15.157 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.520 0.292 -13.818 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.719 2.134 -14.326 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.993 2.912 -15.244 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.188 1.628 -11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.248 2.733 -11.111 1.00 0.00 H new ATOM 708 N ALA A 41 -3.104 1.447 -17.172 1.00 0.00 N ATOM 709 CA ALA A 41 -2.636 2.029 -18.431 1.00 0.00 C ATOM 710 C ALA A 41 -2.451 0.969 -19.528 1.00 0.00 C ATOM 711 O ALA A 41 -3.006 1.109 -20.619 1.00 0.00 O ATOM 712 CB ALA A 41 -1.327 2.784 -18.174 1.00 0.00 C ATOM 0 H ALA A 41 -2.462 1.594 -16.393 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.396 2.720 -18.795 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.970 3.221 -19.106 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.501 3.576 -17.445 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.578 2.093 -17.788 1.00 0.00 H new ATOM 718 N ALA A 42 -1.735 -0.122 -19.234 1.00 0.00 N ATOM 719 CA ALA A 42 -1.579 -1.241 -20.156 1.00 0.00 C ATOM 720 C ALA A 42 -2.930 -1.904 -20.496 1.00 0.00 C ATOM 721 O ALA A 42 -3.129 -2.303 -21.638 1.00 0.00 O ATOM 722 CB ALA A 42 -0.569 -2.232 -19.567 1.00 0.00 C ATOM 0 H ALA A 42 -1.248 -0.249 -18.347 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.193 -0.872 -21.106 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.445 -3.073 -20.249 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.390 -1.734 -19.427 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.933 -2.595 -18.606 1.00 0.00 H new ATOM 728 N GLN A 43 -3.883 -1.965 -19.554 1.00 0.00 N ATOM 729 CA GLN A 43 -5.217 -2.527 -19.806 1.00 0.00 C ATOM 730 C GLN A 43 -6.086 -1.651 -20.726 1.00 0.00 C ATOM 731 O GLN A 43 -6.800 -2.198 -21.569 1.00 0.00 O ATOM 732 CB GLN A 43 -5.950 -2.844 -18.490 1.00 0.00 C ATOM 733 CG GLN A 43 -5.314 -3.981 -17.663 1.00 0.00 C ATOM 734 CD GLN A 43 -5.185 -5.316 -18.401 1.00 0.00 C ATOM 735 OE1 GLN A 43 -6.083 -5.770 -19.099 1.00 0.00 O ATOM 736 NE2 GLN A 43 -4.057 -5.985 -18.287 1.00 0.00 N ATOM 0 H GLN A 43 -3.751 -1.628 -18.600 1.00 0.00 H new ATOM 0 HA GLN A 43 -5.051 -3.461 -20.343 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -5.982 -1.941 -17.880 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.982 -3.111 -18.718 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.323 -3.664 -17.338 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -5.911 -4.135 -16.764 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.302 -5.617 -17.708 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.938 -6.872 -18.777 1.00 0.00 H new ATOM 745 N LYS A 44 -5.968 -0.314 -20.652 1.00 0.00 N ATOM 746 CA LYS A 44 -6.594 0.586 -21.644 1.00 0.00 C ATOM 747 C LYS A 44 -5.964 0.353 -23.013 1.00 0.00 C ATOM 748 O LYS A 44 -6.660 0.196 -24.016 1.00 0.00 O ATOM 749 CB LYS A 44 -6.405 2.065 -21.258 1.00 0.00 C ATOM 750 CG LYS A 44 -7.162 2.509 -20.000 1.00 0.00 C ATOM 751 CD LYS A 44 -6.811 3.972 -19.692 1.00 0.00 C ATOM 752 CE LYS A 44 -7.322 4.394 -18.312 1.00 0.00 C ATOM 753 NZ LYS A 44 -7.059 5.836 -18.069 1.00 0.00 N ATOM 0 H LYS A 44 -5.448 0.169 -19.920 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.661 0.365 -21.670 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.342 2.253 -21.109 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.724 2.687 -22.094 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.236 2.404 -20.151 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.895 1.873 -19.156 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.730 4.105 -19.737 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.244 4.619 -20.455 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.392 4.198 -18.240 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.836 3.796 -17.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.024 6.015 -17.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.149 6.100 -18.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.820 6.404 -18.493 1.00 0.00 H new ATOM 767 N LEU A 45 -4.635 0.263 -23.002 1.00 0.00 N ATOM 768 CA LEU A 45 -3.852 -0.088 -24.185 1.00 0.00 C ATOM 769 C LEU A 45 -3.940 -1.592 -24.592 1.00 0.00 C ATOM 770 O LEU A 45 -3.137 -2.046 -25.409 1.00 0.00 O ATOM 771 CB LEU A 45 -2.406 0.420 -23.958 1.00 0.00 C ATOM 772 CG LEU A 45 -2.247 1.953 -23.743 1.00 0.00 C ATOM 773 CD1 LEU A 45 -0.875 2.229 -23.170 1.00 0.00 C ATOM 774 CD2 LEU A 45 -2.464 2.727 -25.041 1.00 0.00 C ATOM 0 H LEU A 45 -4.070 0.432 -22.170 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.280 0.408 -25.056 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.994 -0.093 -23.089 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.801 0.129 -24.817 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.009 2.293 -23.042 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.754 3.301 -23.016 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.768 1.711 -22.217 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.113 1.874 -23.864 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.345 3.794 -24.853 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.733 2.406 -25.783 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.469 2.535 -25.416 1.00 0.00 H new ATOM 786 N GLY A 46 -4.911 -2.361 -24.063 1.00 0.00 N ATOM 787 CA GLY A 46 -5.209 -3.717 -24.589 1.00 0.00 C ATOM 788 C GLY A 46 -4.573 -4.903 -23.840 1.00 0.00 C ATOM 789 O GLY A 46 -4.344 -5.969 -24.421 1.00 0.00 O ATOM 0 H GLY A 46 -5.499 -2.075 -23.280 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.290 -3.853 -24.587 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.885 -3.758 -25.629 1.00 0.00 H new ATOM 793 N GLY A 47 -4.294 -4.680 -22.557 1.00 0.00 N ATOM 794 CA GLY A 47 -3.508 -5.592 -21.724 1.00 0.00 C ATOM 795 C GLY A 47 -2.110 -5.890 -22.268 1.00 0.00 C ATOM 796 O GLY A 47 -1.703 -5.389 -23.320 1.00 0.00 O ATOM 0 H GLY A 47 -4.612 -3.849 -22.058 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.414 -5.164 -20.726 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.052 -6.530 -21.619 1.00 0.00 H new ATOM 800 N TYR A 48 -1.377 -6.760 -21.569 1.00 0.00 N ATOM 801 CA TYR A 48 -0.122 -7.317 -22.088 1.00 0.00 C ATOM 802 C TYR A 48 -0.303 -7.978 -23.467 1.00 0.00 C ATOM 803 O TYR A 48 0.635 -8.018 -24.263 1.00 0.00 O ATOM 804 CB TYR A 48 0.425 -8.325 -21.071 1.00 0.00 C ATOM 805 CG TYR A 48 1.708 -9.024 -21.485 1.00 0.00 C ATOM 806 CD1 TYR A 48 2.958 -8.411 -21.266 1.00 0.00 C ATOM 807 CD2 TYR A 48 1.646 -10.299 -22.083 1.00 0.00 C ATOM 808 CE1 TYR A 48 4.145 -9.082 -21.621 1.00 0.00 C ATOM 809 CE2 TYR A 48 2.828 -10.969 -22.447 1.00 0.00 C ATOM 810 CZ TYR A 48 4.082 -10.367 -22.205 1.00 0.00 C ATOM 811 OH TYR A 48 5.226 -11.030 -22.522 1.00 0.00 O ATOM 0 H TYR A 48 -1.630 -7.096 -20.640 1.00 0.00 H new ATOM 0 HA TYR A 48 0.588 -6.502 -22.228 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.599 -7.808 -20.127 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.338 -9.080 -20.884 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.006 -7.426 -20.826 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.687 -10.763 -22.262 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.103 -8.614 -21.447 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.776 -11.943 -22.911 1.00 0.00 H new ATOM 0 HH TYR A 48 5.002 -11.900 -22.914 1.00 0.00 H new ATOM 821 N GLU A 49 -1.508 -8.464 -23.784 1.00 0.00 N ATOM 822 CA GLU A 49 -1.732 -9.246 -25.008 1.00 0.00 C ATOM 823 C GLU A 49 -1.645 -8.380 -26.273 1.00 0.00 C ATOM 824 O GLU A 49 -0.905 -8.715 -27.200 1.00 0.00 O ATOM 825 CB GLU A 49 -3.101 -9.949 -24.947 1.00 0.00 C ATOM 826 CG GLU A 49 -3.226 -11.001 -23.835 1.00 0.00 C ATOM 827 CD GLU A 49 -2.338 -12.231 -24.101 1.00 0.00 C ATOM 828 OE1 GLU A 49 -2.760 -13.128 -24.870 1.00 0.00 O ATOM 829 OE2 GLU A 49 -1.222 -12.314 -23.535 1.00 0.00 O ATOM 0 H GLU A 49 -2.342 -8.331 -23.212 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.939 -9.992 -25.065 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.876 -9.196 -24.807 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.293 -10.428 -25.907 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.949 -10.554 -22.880 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.266 -11.316 -23.750 1.00 0.00 H new ATOM 836 N THR A 50 -2.328 -7.230 -26.309 1.00 0.00 N ATOM 837 CA THR A 50 -2.180 -6.276 -27.419 1.00 0.00 C ATOM 838 C THR A 50 -0.815 -5.585 -27.365 1.00 0.00 C ATOM 839 O THR A 50 -0.217 -5.323 -28.408 1.00 0.00 O ATOM 840 CB THR A 50 -3.306 -5.232 -27.465 1.00 0.00 C ATOM 841 OG1 THR A 50 -4.570 -5.849 -27.315 1.00 0.00 O ATOM 842 CG2 THR A 50 -3.364 -4.509 -28.812 1.00 0.00 C ATOM 0 H THR A 50 -2.986 -6.937 -25.587 1.00 0.00 H new ATOM 0 HA THR A 50 -2.250 -6.859 -28.337 1.00 0.00 H new ATOM 0 HB THR A 50 -3.090 -4.533 -26.656 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.752 -5.995 -26.363 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.175 -3.780 -28.799 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.419 -3.997 -28.991 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.540 -5.234 -29.607 1.00 0.00 H new ATOM 850 N ILE A 51 -0.268 -5.358 -26.161 1.00 0.00 N ATOM 851 CA ILE A 51 1.099 -4.838 -26.002 1.00 0.00 C ATOM 852 C ILE A 51 2.149 -5.736 -26.670 1.00 0.00 C ATOM 853 O ILE A 51 3.025 -5.219 -27.366 1.00 0.00 O ATOM 854 CB ILE A 51 1.393 -4.568 -24.497 1.00 0.00 C ATOM 855 CG1 ILE A 51 1.345 -3.069 -24.142 1.00 0.00 C ATOM 856 CG2 ILE A 51 2.740 -5.104 -24.003 1.00 0.00 C ATOM 857 CD1 ILE A 51 -0.069 -2.480 -24.137 1.00 0.00 C ATOM 0 H ILE A 51 -0.754 -5.527 -25.280 1.00 0.00 H new ATOM 0 HA ILE A 51 1.169 -3.886 -26.528 1.00 0.00 H new ATOM 0 HB ILE A 51 0.593 -5.113 -23.995 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.793 -2.923 -23.159 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.956 -2.516 -24.856 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.859 -4.870 -22.945 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.775 -6.185 -24.142 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.547 -4.639 -24.570 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.022 -1.422 -23.879 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.513 -2.592 -25.126 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.680 -3.006 -23.403 1.00 0.00 H new ATOM 869 N THR A 52 2.053 -7.058 -26.505 1.00 0.00 N ATOM 870 CA THR A 52 3.049 -7.990 -27.056 1.00 0.00 C ATOM 871 C THR A 52 2.796 -8.278 -28.536 1.00 0.00 C ATOM 872 O THR A 52 3.745 -8.465 -29.299 1.00 0.00 O ATOM 873 CB THR A 52 3.149 -9.276 -26.212 1.00 0.00 C ATOM 874 OG1 THR A 52 4.427 -9.850 -26.414 1.00 0.00 O ATOM 875 CG2 THR A 52 2.109 -10.362 -26.482 1.00 0.00 C ATOM 0 H THR A 52 1.295 -7.511 -25.994 1.00 0.00 H new ATOM 0 HA THR A 52 4.022 -7.503 -26.998 1.00 0.00 H new ATOM 0 HB THR A 52 2.964 -8.944 -25.191 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.405 -10.796 -26.158 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.291 -11.211 -25.824 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.111 -9.965 -26.295 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.182 -10.686 -27.520 1.00 0.00 H new ATOM 883 N ALA A 53 1.529 -8.242 -28.965 1.00 0.00 N ATOM 884 CA ALA A 53 1.175 -8.344 -30.378 1.00 0.00 C ATOM 885 C ALA A 53 1.570 -7.103 -31.203 1.00 0.00 C ATOM 886 O ALA A 53 1.830 -7.251 -32.401 1.00 0.00 O ATOM 887 CB ALA A 53 -0.335 -8.601 -30.475 1.00 0.00 C ATOM 0 H ALA A 53 0.727 -8.142 -28.343 1.00 0.00 H new ATOM 0 HA ALA A 53 1.741 -9.170 -30.809 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.624 -8.681 -31.523 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.580 -9.529 -29.959 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.875 -7.775 -30.012 1.00 0.00 H new ATOM 893 N ARG A 54 1.591 -5.895 -30.600 1.00 0.00 N ATOM 894 CA ARG A 54 1.737 -4.651 -31.402 1.00 0.00 C ATOM 895 C ARG A 54 2.790 -3.647 -30.895 1.00 0.00 C ATOM 896 O ARG A 54 2.851 -2.532 -31.414 1.00 0.00 O ATOM 897 CB ARG A 54 0.342 -4.001 -31.588 1.00 0.00 C ATOM 898 CG ARG A 54 -0.685 -4.853 -32.357 1.00 0.00 C ATOM 899 CD ARG A 54 -0.299 -5.073 -33.828 1.00 0.00 C ATOM 900 NE ARG A 54 -1.273 -5.943 -34.518 1.00 0.00 N ATOM 901 CZ ARG A 54 -1.171 -7.240 -34.752 1.00 0.00 C ATOM 902 NH1 ARG A 54 -0.159 -7.955 -34.343 1.00 0.00 N ATOM 903 NH2 ARG A 54 -2.106 -7.860 -35.414 1.00 0.00 N ATOM 0 H ARG A 54 1.512 -5.750 -29.593 1.00 0.00 H new ATOM 0 HA ARG A 54 2.143 -4.954 -32.367 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.067 -3.770 -30.604 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.468 -3.053 -32.112 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.788 -5.820 -31.865 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.660 -4.367 -32.311 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.243 -4.112 -34.338 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.693 -5.521 -33.882 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.123 -5.490 -34.853 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.597 -7.515 -33.818 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.124 -8.954 -34.548 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.918 -7.345 -35.753 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.026 -8.861 -35.594 1.00 0.00 H new ATOM 917 N ARG A 55 3.645 -4.033 -29.935 1.00 0.00 N ATOM 918 CA ARG A 55 4.755 -3.222 -29.373 1.00 0.00 C ATOM 919 C ARG A 55 4.250 -1.875 -28.861 1.00 0.00 C ATOM 920 O ARG A 55 4.711 -0.806 -29.262 1.00 0.00 O ATOM 921 CB ARG A 55 5.933 -3.130 -30.367 1.00 0.00 C ATOM 922 CG ARG A 55 6.523 -4.512 -30.704 1.00 0.00 C ATOM 923 CD ARG A 55 7.747 -4.413 -31.627 1.00 0.00 C ATOM 924 NE ARG A 55 7.408 -3.871 -32.962 1.00 0.00 N ATOM 925 CZ ARG A 55 6.927 -4.535 -33.999 1.00 0.00 C ATOM 926 NH1 ARG A 55 6.677 -5.813 -33.958 1.00 0.00 N ATOM 927 NH2 ARG A 55 6.683 -3.913 -35.118 1.00 0.00 N ATOM 0 H ARG A 55 3.586 -4.956 -29.506 1.00 0.00 H new ATOM 0 HA ARG A 55 5.158 -3.728 -28.495 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.595 -2.648 -31.284 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.714 -2.497 -29.944 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.806 -5.019 -29.781 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.759 -5.124 -31.182 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.499 -3.777 -31.161 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.192 -5.401 -31.742 1.00 0.00 H new ATOM 0 HE ARG A 55 7.563 -2.872 -33.097 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.852 -6.340 -33.102 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.306 -6.287 -34.782 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.863 -2.912 -35.195 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.312 -4.427 -35.917 1.00 0.00 H new ATOM 941 N GLN A 56 3.271 -1.963 -27.956 1.00 0.00 N ATOM 942 CA GLN A 56 2.529 -0.782 -27.491 1.00 0.00 C ATOM 943 C GLN A 56 3.087 -0.160 -26.200 1.00 0.00 C ATOM 944 O GLN A 56 2.470 0.741 -25.637 1.00 0.00 O ATOM 945 CB GLN A 56 1.014 -1.027 -27.445 1.00 0.00 C ATOM 946 CG GLN A 56 0.475 -1.597 -28.764 1.00 0.00 C ATOM 947 CD GLN A 56 -1.015 -1.331 -28.971 1.00 0.00 C ATOM 948 OE1 GLN A 56 -1.458 -0.948 -30.045 1.00 0.00 O ATOM 949 NE2 GLN A 56 -1.848 -1.503 -27.970 1.00 0.00 N ATOM 0 H GLN A 56 2.972 -2.840 -27.529 1.00 0.00 H new ATOM 0 HA GLN A 56 2.692 -0.016 -28.249 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.784 -1.717 -26.633 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.503 -0.090 -27.221 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.033 -1.164 -29.594 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.652 -2.672 -28.787 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.500 -1.822 -27.066 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.843 -1.318 -28.097 1.00 0.00 H new ATOM 958 N TRP A 57 4.275 -0.577 -25.743 1.00 0.00 N ATOM 959 CA TRP A 57 5.026 0.120 -24.681 1.00 0.00 C ATOM 960 C TRP A 57 5.252 1.593 -25.051 1.00 0.00 C ATOM 961 O TRP A 57 5.130 2.468 -24.201 1.00 0.00 O ATOM 962 CB TRP A 57 6.374 -0.560 -24.414 1.00 0.00 C ATOM 963 CG TRP A 57 6.326 -2.049 -24.317 1.00 0.00 C ATOM 964 CD1 TRP A 57 6.556 -2.930 -25.317 1.00 0.00 C ATOM 965 CD2 TRP A 57 5.964 -2.845 -23.153 1.00 0.00 C ATOM 966 NE1 TRP A 57 6.313 -4.212 -24.860 1.00 0.00 N ATOM 967 CE2 TRP A 57 5.949 -4.218 -23.529 1.00 0.00 C ATOM 968 CE3 TRP A 57 5.614 -2.532 -21.824 1.00 0.00 C ATOM 969 CZ2 TRP A 57 5.581 -5.235 -22.635 1.00 0.00 C ATOM 970 CZ3 TRP A 57 5.219 -3.538 -20.928 1.00 0.00 C ATOM 971 CH2 TRP A 57 5.198 -4.887 -21.329 1.00 0.00 C ATOM 0 H TRP A 57 4.747 -1.409 -26.098 1.00 0.00 H new ATOM 0 HA TRP A 57 4.428 0.070 -23.771 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.065 -0.286 -25.211 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.785 -0.164 -23.485 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.879 -2.673 -26.315 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.393 -5.050 -25.436 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.650 -1.505 -21.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.592 -6.269 -22.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.929 -3.274 -19.922 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.888 -5.653 -20.634 1.00 0.00 H new ATOM 982 N LYS A 58 5.464 1.899 -26.341 1.00 0.00 N ATOM 983 CA LYS A 58 5.500 3.286 -26.850 1.00 0.00 C ATOM 984 C LYS A 58 4.204 4.080 -26.613 1.00 0.00 C ATOM 985 O LYS A 58 4.255 5.308 -26.582 1.00 0.00 O ATOM 986 CB LYS A 58 5.929 3.297 -28.328 1.00 0.00 C ATOM 987 CG LYS A 58 7.456 3.169 -28.481 1.00 0.00 C ATOM 988 CD LYS A 58 8.180 4.492 -28.164 1.00 0.00 C ATOM 989 CE LYS A 58 9.704 4.368 -28.281 1.00 0.00 C ATOM 990 NZ LYS A 58 10.309 3.702 -27.099 1.00 0.00 N ATOM 0 H LYS A 58 5.616 1.195 -27.063 1.00 0.00 H new ATOM 0 HA LYS A 58 6.249 3.815 -26.261 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.441 2.477 -28.854 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.593 4.222 -28.797 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.823 2.387 -27.817 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.694 2.860 -29.499 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.828 5.267 -28.844 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.921 4.812 -27.155 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.952 3.803 -29.180 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.139 5.361 -28.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.330 3.580 -27.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.154 4.288 -26.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.867 2.771 -26.961 1.00 0.00 H new ATOM 1004 N HIS A 59 3.071 3.413 -26.379 1.00 0.00 N ATOM 1005 CA HIS A 59 1.846 4.074 -25.915 1.00 0.00 C ATOM 1006 C HIS A 59 1.653 3.979 -24.388 1.00 0.00 C ATOM 1007 O HIS A 59 0.941 4.804 -23.823 1.00 0.00 O ATOM 1008 CB HIS A 59 0.643 3.497 -26.674 1.00 0.00 C ATOM 1009 CG HIS A 59 0.767 3.549 -28.180 1.00 0.00 C ATOM 1010 ND1 HIS A 59 1.323 4.565 -28.930 1.00 0.00 N ATOM 1011 CD2 HIS A 59 0.334 2.593 -29.061 1.00 0.00 C ATOM 1012 CE1 HIS A 59 1.237 4.225 -30.228 1.00 0.00 C ATOM 1013 NE2 HIS A 59 0.640 3.026 -30.359 1.00 0.00 N ATOM 0 H HIS A 59 2.976 2.405 -26.505 1.00 0.00 H new ATOM 0 HA HIS A 59 1.935 5.139 -26.130 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.501 2.460 -26.370 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.253 4.042 -26.377 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.157 1.667 -28.801 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.596 4.828 -31.049 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.448 2.531 -31.230 1.00 0.00 H new ATOM 1021 N ILE A 60 2.317 3.056 -23.675 1.00 0.00 N ATOM 1022 CA ILE A 60 2.391 3.096 -22.197 1.00 0.00 C ATOM 1023 C ILE A 60 3.175 4.358 -21.820 1.00 0.00 C ATOM 1024 O ILE A 60 2.755 5.124 -20.960 1.00 0.00 O ATOM 1025 CB ILE A 60 2.993 1.794 -21.610 1.00 0.00 C ATOM 1026 CG1 ILE A 60 1.958 0.654 -21.751 1.00 0.00 C ATOM 1027 CG2 ILE A 60 3.395 1.964 -20.134 1.00 0.00 C ATOM 1028 CD1 ILE A 60 2.457 -0.739 -21.355 1.00 0.00 C ATOM 0 H ILE A 60 2.813 2.269 -24.094 1.00 0.00 H new ATOM 0 HA ILE A 60 1.394 3.147 -21.759 1.00 0.00 H new ATOM 0 HB ILE A 60 3.899 1.552 -22.166 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.089 0.897 -21.140 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.620 0.619 -22.787 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.812 1.029 -19.761 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.141 2.754 -20.049 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.517 2.230 -19.546 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.655 -1.465 -21.491 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.305 -1.014 -21.982 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.766 -0.731 -20.310 1.00 0.00 H new ATOM 1040 N TYR A 61 4.237 4.658 -22.570 1.00 0.00 N ATOM 1041 CA TYR A 61 4.941 5.940 -22.544 1.00 0.00 C ATOM 1042 C TYR A 61 4.001 7.149 -22.793 1.00 0.00 C ATOM 1043 O TYR A 61 4.310 8.261 -22.360 1.00 0.00 O ATOM 1044 CB TYR A 61 6.095 5.854 -23.560 1.00 0.00 C ATOM 1045 CG TYR A 61 6.730 7.168 -23.970 1.00 0.00 C ATOM 1046 CD1 TYR A 61 7.654 7.802 -23.121 1.00 0.00 C ATOM 1047 CD2 TYR A 61 6.394 7.756 -25.206 1.00 0.00 C ATOM 1048 CE1 TYR A 61 8.227 9.030 -23.501 1.00 0.00 C ATOM 1049 CE2 TYR A 61 6.973 8.980 -25.593 1.00 0.00 C ATOM 1050 CZ TYR A 61 7.889 9.625 -24.735 1.00 0.00 C ATOM 1051 OH TYR A 61 8.455 10.806 -25.098 1.00 0.00 O ATOM 0 H TYR A 61 4.642 3.996 -23.231 1.00 0.00 H new ATOM 0 HA TYR A 61 5.343 6.122 -21.547 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.872 5.215 -23.141 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.724 5.359 -24.457 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.924 7.348 -22.179 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.689 7.265 -25.860 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.930 9.520 -22.844 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.717 9.424 -26.544 1.00 0.00 H new ATOM 0 HH TYR A 61 8.114 11.076 -25.976 1.00 0.00 H new ATOM 1061 N ASP A 62 2.825 6.927 -23.405 1.00 0.00 N ATOM 1062 CA ASP A 62 1.825 7.988 -23.587 1.00 0.00 C ATOM 1063 C ASP A 62 0.915 8.137 -22.362 1.00 0.00 C ATOM 1064 O ASP A 62 0.844 9.213 -21.762 1.00 0.00 O ATOM 1065 CB ASP A 62 1.024 7.803 -24.886 1.00 0.00 C ATOM 1066 CG ASP A 62 0.203 9.064 -25.206 1.00 0.00 C ATOM 1067 OD1 ASP A 62 0.789 10.061 -25.691 1.00 0.00 O ATOM 1068 OD2 ASP A 62 -1.032 9.061 -24.984 1.00 0.00 O ATOM 0 H ASP A 62 2.546 6.021 -23.781 1.00 0.00 H new ATOM 0 HA ASP A 62 2.371 8.926 -23.685 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.704 7.587 -25.710 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.359 6.945 -24.789 1.00 0.00 H new ATOM 1073 N GLU A 63 0.270 7.046 -21.944 1.00 0.00 N ATOM 1074 CA GLU A 63 -0.639 7.067 -20.789 1.00 0.00 C ATOM 1075 C GLU A 63 0.066 7.367 -19.445 1.00 0.00 C ATOM 1076 O GLU A 63 -0.559 7.918 -18.536 1.00 0.00 O ATOM 1077 CB GLU A 63 -1.409 5.736 -20.773 1.00 0.00 C ATOM 1078 CG GLU A 63 -2.527 5.609 -19.722 1.00 0.00 C ATOM 1079 CD GLU A 63 -3.697 6.609 -19.847 1.00 0.00 C ATOM 1080 OE1 GLU A 63 -3.834 7.313 -20.875 1.00 0.00 O ATOM 1081 OE2 GLU A 63 -4.532 6.652 -18.910 1.00 0.00 O ATOM 0 H GLU A 63 0.359 6.132 -22.388 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.334 7.899 -20.902 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.847 5.582 -21.759 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.694 4.929 -20.612 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.933 4.599 -19.774 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.082 5.724 -18.733 1.00 0.00 H new ATOM 1088 N LEU A 64 1.371 7.074 -19.321 1.00 0.00 N ATOM 1089 CA LEU A 64 2.195 7.380 -18.137 1.00 0.00 C ATOM 1090 C LEU A 64 2.925 8.728 -18.207 1.00 0.00 C ATOM 1091 O LEU A 64 3.639 9.069 -17.258 1.00 0.00 O ATOM 1092 CB LEU A 64 3.226 6.255 -17.890 1.00 0.00 C ATOM 1093 CG LEU A 64 2.604 4.865 -17.723 1.00 0.00 C ATOM 1094 CD1 LEU A 64 3.671 3.875 -17.259 1.00 0.00 C ATOM 1095 CD2 LEU A 64 1.463 4.826 -16.701 1.00 0.00 C ATOM 0 H LEU A 64 1.897 6.606 -20.059 1.00 0.00 H new ATOM 0 HA LEU A 64 1.492 7.448 -17.307 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.928 6.230 -18.724 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.802 6.494 -16.996 1.00 0.00 H new ATOM 0 HG LEU A 64 2.197 4.600 -18.699 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.225 2.888 -17.141 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.469 3.827 -18.000 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.082 4.204 -16.304 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.069 3.812 -16.634 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.838 5.135 -15.725 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.669 5.503 -17.016 1.00 0.00 H new ATOM 1107 N GLY A 65 2.791 9.482 -19.307 1.00 0.00 N ATOM 1108 CA GLY A 65 3.547 10.725 -19.504 1.00 0.00 C ATOM 1109 C GLY A 65 5.066 10.600 -19.304 1.00 0.00 C ATOM 1110 O GLY A 65 5.676 11.523 -18.756 1.00 0.00 O ATOM 0 H GLY A 65 2.163 9.251 -20.077 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.357 11.092 -20.513 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.166 11.478 -18.814 1.00 0.00 H new ATOM 1114 N GLY A 66 5.658 9.448 -19.664 1.00 0.00 N ATOM 1115 CA GLY A 66 7.099 9.212 -19.497 1.00 0.00 C ATOM 1116 C GLY A 66 8.041 10.302 -20.044 1.00 0.00 C ATOM 1117 O GLY A 66 7.690 11.115 -20.903 1.00 0.00 O ATOM 0 H GLY A 66 5.155 8.662 -20.075 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.303 9.086 -18.434 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.349 8.269 -19.983 1.00 0.00 H new ATOM 1121 N ASN A 67 9.271 10.292 -19.525 1.00 0.00 N ATOM 1122 CA ASN A 67 10.340 11.267 -19.780 1.00 0.00 C ATOM 1123 C ASN A 67 10.615 11.496 -21.290 1.00 0.00 C ATOM 1124 O ASN A 67 10.973 10.531 -21.973 1.00 0.00 O ATOM 1125 CB ASN A 67 11.563 10.742 -19.014 1.00 0.00 C ATOM 1126 CG ASN A 67 12.848 11.549 -19.156 1.00 0.00 C ATOM 1127 OD1 ASN A 67 13.202 12.052 -20.214 1.00 0.00 O ATOM 1128 ND2 ASN A 67 13.611 11.660 -18.095 1.00 0.00 N ATOM 0 H ASN A 67 9.567 9.562 -18.878 1.00 0.00 H new ATOM 0 HA ASN A 67 10.055 12.260 -19.432 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.307 10.690 -17.956 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.761 9.722 -19.344 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.496 12.164 -18.154 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.320 11.242 -17.211 1.00 0.00 H new ATOM 1135 N PRO A 68 10.492 12.739 -21.813 1.00 0.00 N ATOM 1136 CA PRO A 68 10.629 13.058 -23.239 1.00 0.00 C ATOM 1137 C PRO A 68 11.869 12.517 -23.962 1.00 0.00 C ATOM 1138 O PRO A 68 11.774 12.134 -25.131 1.00 0.00 O ATOM 1139 CB PRO A 68 10.575 14.586 -23.330 1.00 0.00 C ATOM 1140 CG PRO A 68 9.690 14.970 -22.150 1.00 0.00 C ATOM 1141 CD PRO A 68 10.060 13.932 -21.092 1.00 0.00 C ATOM 0 HA PRO A 68 9.820 12.549 -23.764 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.567 15.030 -23.251 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.151 14.919 -24.277 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.892 15.985 -21.808 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.632 14.925 -22.407 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.855 14.304 -20.446 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.206 13.710 -20.452 1.00 0.00 H new ATOM 1149 N GLY A 69 13.026 12.469 -23.294 1.00 0.00 N ATOM 1150 CA GLY A 69 14.257 11.930 -23.888 1.00 0.00 C ATOM 1151 C GLY A 69 14.421 10.426 -23.647 1.00 0.00 C ATOM 1152 O GLY A 69 14.794 9.688 -24.561 1.00 0.00 O ATOM 0 H GLY A 69 13.137 12.799 -22.335 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.253 12.123 -24.961 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.116 12.456 -23.473 1.00 0.00 H new ATOM 1156 N SER A 70 14.062 9.955 -22.448 1.00 0.00 N ATOM 1157 CA SER A 70 14.101 8.521 -22.106 1.00 0.00 C ATOM 1158 C SER A 70 12.832 7.783 -22.563 1.00 0.00 C ATOM 1159 O SER A 70 12.238 7.015 -21.805 1.00 0.00 O ATOM 1160 CB SER A 70 14.362 8.323 -20.605 1.00 0.00 C ATOM 1161 OG SER A 70 15.552 8.991 -20.207 1.00 0.00 O ATOM 0 H SER A 70 13.737 10.551 -21.687 1.00 0.00 H new ATOM 0 HA SER A 70 14.933 8.077 -22.653 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.517 8.703 -20.031 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.445 7.259 -20.383 1.00 0.00 H new ATOM 0 HG SER A 70 15.699 8.854 -19.248 1.00 0.00 H new ATOM 1167 N THR A 71 12.402 7.996 -23.814 1.00 0.00 N ATOM 1168 CA THR A 71 11.279 7.274 -24.453 1.00 0.00 C ATOM 1169 C THR A 71 11.463 5.745 -24.466 1.00 0.00 C ATOM 1170 O THR A 71 10.497 4.983 -24.546 1.00 0.00 O ATOM 1171 CB THR A 71 11.015 7.821 -25.871 1.00 0.00 C ATOM 1172 OG1 THR A 71 9.921 7.170 -26.480 1.00 0.00 O ATOM 1173 CG2 THR A 71 12.201 7.653 -26.826 1.00 0.00 C ATOM 0 H THR A 71 12.830 8.689 -24.428 1.00 0.00 H new ATOM 0 HA THR A 71 10.400 7.461 -23.836 1.00 0.00 H new ATOM 0 HB THR A 71 10.820 8.882 -25.715 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.092 7.642 -26.255 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.942 8.060 -27.803 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.066 8.185 -26.429 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.440 6.594 -26.926 1.00 0.00 H new ATOM 1181 N SER A 72 12.706 5.272 -24.340 1.00 0.00 N ATOM 1182 CA SER A 72 13.070 3.867 -24.109 1.00 0.00 C ATOM 1183 C SER A 72 12.526 3.279 -22.797 1.00 0.00 C ATOM 1184 O SER A 72 12.454 2.058 -22.685 1.00 0.00 O ATOM 1185 CB SER A 72 14.599 3.742 -24.125 1.00 0.00 C ATOM 1186 OG SER A 72 15.179 4.673 -23.220 1.00 0.00 O ATOM 0 H SER A 72 13.522 5.881 -24.398 1.00 0.00 H new ATOM 0 HA SER A 72 12.608 3.292 -24.911 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.891 2.728 -23.851 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.975 3.921 -25.132 1.00 0.00 H new ATOM 0 HG SER A 72 16.155 4.582 -23.238 1.00 0.00 H new ATOM 1192 N ALA A 73 12.147 4.112 -21.818 1.00 0.00 N ATOM 1193 CA ALA A 73 11.752 3.608 -20.496 1.00 0.00 C ATOM 1194 C ALA A 73 10.621 2.565 -20.503 1.00 0.00 C ATOM 1195 O ALA A 73 10.841 1.461 -20.012 1.00 0.00 O ATOM 1196 CB ALA A 73 11.416 4.799 -19.587 1.00 0.00 C ATOM 0 H ALA A 73 12.106 5.127 -21.914 1.00 0.00 H new ATOM 0 HA ALA A 73 12.608 3.057 -20.106 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.122 4.434 -18.603 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.292 5.440 -19.489 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.596 5.369 -20.023 1.00 0.00 H new ATOM 1202 N ALA A 74 9.452 2.843 -21.096 1.00 0.00 N ATOM 1203 CA ALA A 74 8.406 1.834 -21.331 1.00 0.00 C ATOM 1204 C ALA A 74 8.908 0.597 -22.108 1.00 0.00 C ATOM 1205 O ALA A 74 8.538 -0.533 -21.789 1.00 0.00 O ATOM 1206 CB ALA A 74 7.240 2.523 -22.035 1.00 0.00 C ATOM 0 H ALA A 74 9.203 3.775 -21.427 1.00 0.00 H new ATOM 0 HA ALA A 74 8.082 1.433 -20.371 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.448 1.798 -22.222 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.856 3.324 -21.404 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.582 2.940 -22.982 1.00 0.00 H new ATOM 1212 N THR A 75 9.791 0.798 -23.091 1.00 0.00 N ATOM 1213 CA THR A 75 10.314 -0.299 -23.924 1.00 0.00 C ATOM 1214 C THR A 75 11.250 -1.240 -23.152 1.00 0.00 C ATOM 1215 O THR A 75 11.131 -2.457 -23.281 1.00 0.00 O ATOM 1216 CB THR A 75 11.025 0.301 -25.152 1.00 0.00 C ATOM 1217 OG1 THR A 75 10.116 1.097 -25.889 1.00 0.00 O ATOM 1218 CG2 THR A 75 11.574 -0.742 -26.123 1.00 0.00 C ATOM 0 H THR A 75 10.163 1.716 -23.334 1.00 0.00 H new ATOM 0 HA THR A 75 9.471 -0.912 -24.243 1.00 0.00 H new ATOM 0 HB THR A 75 11.860 0.873 -24.749 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.151 0.842 -26.835 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.059 -0.240 -26.960 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.299 -1.372 -25.608 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.756 -1.359 -26.495 1.00 0.00 H new ATOM 1226 N CYS A 76 12.133 -0.718 -22.292 1.00 0.00 N ATOM 1227 CA CYS A 76 12.944 -1.526 -21.369 1.00 0.00 C ATOM 1228 C CYS A 76 12.101 -2.070 -20.208 1.00 0.00 C ATOM 1229 O CYS A 76 12.340 -3.178 -19.729 1.00 0.00 O ATOM 1230 CB CYS A 76 14.105 -0.670 -20.840 1.00 0.00 C ATOM 1231 SG CYS A 76 15.145 -0.092 -22.215 1.00 0.00 S ATOM 0 H CYS A 76 12.307 0.284 -22.215 1.00 0.00 H new ATOM 0 HA CYS A 76 13.339 -2.386 -21.910 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.713 0.184 -20.288 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.706 -1.252 -20.141 1.00 0.00 H new ATOM 0 HG CYS A 76 16.119 0.631 -21.748 1.00 0.00 H new ATOM 1237 N THR A 77 11.067 -1.320 -19.815 1.00 0.00 N ATOM 1238 CA THR A 77 10.068 -1.786 -18.843 1.00 0.00 C ATOM 1239 C THR A 77 9.358 -3.067 -19.263 1.00 0.00 C ATOM 1240 O THR A 77 8.895 -3.778 -18.377 1.00 0.00 O ATOM 1241 CB THR A 77 9.100 -0.668 -18.448 1.00 0.00 C ATOM 1242 OG1 THR A 77 9.865 0.277 -17.735 1.00 0.00 O ATOM 1243 CG2 THR A 77 7.976 -1.073 -17.506 1.00 0.00 C ATOM 0 H THR A 77 10.897 -0.375 -20.159 1.00 0.00 H new ATOM 0 HA THR A 77 10.622 -2.059 -17.945 1.00 0.00 H new ATOM 0 HB THR A 77 8.635 -0.321 -19.371 1.00 0.00 H new ATOM 0 HG1 THR A 77 10.342 0.855 -18.366 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.351 -0.206 -17.292 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.371 -1.850 -17.974 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.400 -1.453 -16.576 1.00 0.00 H new ATOM 1251 N ARG A 78 9.379 -3.461 -20.549 1.00 0.00 N ATOM 1252 CA ARG A 78 8.930 -4.792 -20.967 1.00 0.00 C ATOM 1253 C ARG A 78 9.608 -5.854 -20.122 1.00 0.00 C ATOM 1254 O ARG A 78 8.950 -6.801 -19.695 1.00 0.00 O ATOM 1255 CB ARG A 78 9.214 -5.037 -22.465 1.00 0.00 C ATOM 1256 CG ARG A 78 8.845 -6.483 -22.842 1.00 0.00 C ATOM 1257 CD ARG A 78 8.858 -6.814 -24.335 1.00 0.00 C ATOM 1258 NE ARG A 78 8.393 -8.203 -24.483 1.00 0.00 N ATOM 1259 CZ ARG A 78 7.375 -8.661 -25.177 1.00 0.00 C ATOM 1260 NH1 ARG A 78 6.844 -8.044 -26.192 1.00 0.00 N ATOM 1261 NH2 ARG A 78 6.851 -9.788 -24.821 1.00 0.00 N ATOM 0 H ARG A 78 9.704 -2.871 -21.315 1.00 0.00 H new ATOM 0 HA ARG A 78 7.851 -4.849 -20.820 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.640 -4.337 -23.072 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.267 -4.854 -22.678 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.536 -7.157 -22.335 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.850 -6.696 -22.452 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.210 -6.132 -24.885 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.862 -6.700 -24.745 1.00 0.00 H new ATOM 0 HE ARG A 78 8.934 -8.905 -23.979 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.218 -7.145 -26.495 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.054 -8.460 -26.685 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.229 -10.296 -24.021 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.060 -10.169 -25.340 1.00 0.00 H new ATOM 1275 N ARG A 79 10.906 -5.695 -19.836 1.00 0.00 N ATOM 1276 CA ARG A 79 11.660 -6.710 -19.113 1.00 0.00 C ATOM 1277 C ARG A 79 11.243 -6.804 -17.644 1.00 0.00 C ATOM 1278 O ARG A 79 11.174 -7.899 -17.088 1.00 0.00 O ATOM 1279 CB ARG A 79 13.170 -6.423 -19.224 1.00 0.00 C ATOM 1280 CG ARG A 79 13.685 -6.304 -20.671 1.00 0.00 C ATOM 1281 CD ARG A 79 15.114 -5.747 -20.688 1.00 0.00 C ATOM 1282 NE ARG A 79 15.588 -5.537 -22.071 1.00 0.00 N ATOM 1283 CZ ARG A 79 16.355 -4.555 -22.515 1.00 0.00 C ATOM 1284 NH1 ARG A 79 16.833 -3.631 -21.730 1.00 0.00 N ATOM 1285 NH2 ARG A 79 16.661 -4.481 -23.779 1.00 0.00 N ATOM 0 H ARG A 79 11.450 -4.872 -20.096 1.00 0.00 H new ATOM 0 HA ARG A 79 11.438 -7.673 -19.572 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.392 -5.497 -18.694 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.718 -7.219 -18.719 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.664 -7.282 -21.153 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.027 -5.652 -21.245 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.146 -4.804 -20.142 1.00 0.00 H new ATOM 0 HD3 ARG A 79 15.782 -6.437 -20.172 1.00 0.00 H new ATOM 0 HE ARG A 79 15.291 -6.227 -22.761 1.00 0.00 H new ATOM 0 HH11 ARG A 79 16.619 -3.648 -20.733 1.00 0.00 H new ATOM 0 HH12 ARG A 79 17.421 -2.891 -22.113 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.309 -5.182 -24.431 1.00 0.00 H new ATOM 0 HH22 ARG A 79 17.253 -3.722 -24.117 1.00 0.00 H new ATOM 1299 N HIS A 80 10.922 -5.661 -17.034 1.00 0.00 N ATOM 1300 CA HIS A 80 10.373 -5.580 -15.680 1.00 0.00 C ATOM 1301 C HIS A 80 8.946 -6.155 -15.641 1.00 0.00 C ATOM 1302 O HIS A 80 8.651 -7.017 -14.815 1.00 0.00 O ATOM 1303 CB HIS A 80 10.397 -4.119 -15.185 1.00 0.00 C ATOM 1304 CG HIS A 80 11.681 -3.359 -15.441 1.00 0.00 C ATOM 1305 ND1 HIS A 80 11.780 -2.021 -15.760 1.00 0.00 N ATOM 1306 CD2 HIS A 80 12.958 -3.858 -15.421 1.00 0.00 C ATOM 1307 CE1 HIS A 80 13.075 -1.732 -15.967 1.00 0.00 C ATOM 1308 NE2 HIS A 80 13.837 -2.821 -15.763 1.00 0.00 N ATOM 0 H HIS A 80 11.039 -4.749 -17.476 1.00 0.00 H new ATOM 0 HA HIS A 80 10.992 -6.178 -15.011 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.577 -3.580 -15.660 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.202 -4.115 -14.113 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.238 -4.874 -15.183 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.451 -0.762 -16.256 1.00 0.00 H new ATOM 0 HE2 HIS A 80 14.852 -2.881 -15.841 1.00 0.00 H new ATOM 1316 N TYR A 81 8.077 -5.739 -16.571 1.00 0.00 N ATOM 1317 CA TYR A 81 6.669 -6.139 -16.675 1.00 0.00 C ATOM 1318 C TYR A 81 6.504 -7.657 -16.829 1.00 0.00 C ATOM 1319 O TYR A 81 5.607 -8.246 -16.225 1.00 0.00 O ATOM 1320 CB TYR A 81 6.025 -5.377 -17.845 1.00 0.00 C ATOM 1321 CG TYR A 81 4.507 -5.302 -17.810 1.00 0.00 C ATOM 1322 CD1 TYR A 81 3.727 -6.426 -18.146 1.00 0.00 C ATOM 1323 CD2 TYR A 81 3.873 -4.092 -17.456 1.00 0.00 C ATOM 1324 CE1 TYR A 81 2.322 -6.351 -18.098 1.00 0.00 C ATOM 1325 CE2 TYR A 81 2.467 -4.008 -17.428 1.00 0.00 C ATOM 1326 CZ TYR A 81 1.685 -5.144 -17.731 1.00 0.00 C ATOM 1327 OH TYR A 81 0.332 -5.080 -17.628 1.00 0.00 O ATOM 0 H TYR A 81 8.349 -5.085 -17.305 1.00 0.00 H new ATOM 0 HA TYR A 81 6.160 -5.879 -15.747 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.423 -4.362 -17.860 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.328 -5.852 -18.778 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.208 -7.347 -18.441 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.468 -3.226 -17.205 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.728 -7.219 -18.343 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.987 -3.074 -17.175 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.058 -5.938 -17.897 1.00 0.00 H new ATOM 1337 N GLU A 82 7.428 -8.311 -17.545 1.00 0.00 N ATOM 1338 CA GLU A 82 7.498 -9.762 -17.716 1.00 0.00 C ATOM 1339 C GLU A 82 7.802 -10.501 -16.405 1.00 0.00 C ATOM 1340 O GLU A 82 7.737 -11.736 -16.383 1.00 0.00 O ATOM 1341 CB GLU A 82 8.525 -10.115 -18.808 1.00 0.00 C ATOM 1342 CG GLU A 82 7.934 -9.927 -20.217 1.00 0.00 C ATOM 1343 CD GLU A 82 8.934 -10.207 -21.359 1.00 0.00 C ATOM 1344 OE1 GLU A 82 10.145 -10.430 -21.112 1.00 0.00 O ATOM 1345 OE2 GLU A 82 8.504 -10.201 -22.539 1.00 0.00 O ATOM 0 H GLU A 82 8.175 -7.822 -18.039 1.00 0.00 H new ATOM 0 HA GLU A 82 6.512 -10.102 -18.032 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.408 -9.486 -18.696 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.851 -11.148 -18.683 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.074 -10.587 -20.330 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.566 -8.905 -20.312 1.00 0.00 H new ATOM 1352 N ARG A 83 8.095 -9.781 -15.303 1.00 0.00 N ATOM 1353 CA ARG A 83 8.304 -10.410 -13.997 1.00 0.00 C ATOM 1354 C ARG A 83 7.702 -9.732 -12.755 1.00 0.00 C ATOM 1355 O ARG A 83 7.640 -10.414 -11.735 1.00 0.00 O ATOM 1356 CB ARG A 83 9.809 -10.728 -13.840 1.00 0.00 C ATOM 1357 CG ARG A 83 10.156 -11.916 -12.918 1.00 0.00 C ATOM 1358 CD ARG A 83 9.341 -13.201 -13.147 1.00 0.00 C ATOM 1359 NE ARG A 83 9.127 -13.490 -14.582 1.00 0.00 N ATOM 1360 CZ ARG A 83 9.385 -14.587 -15.264 1.00 0.00 C ATOM 1361 NH1 ARG A 83 9.951 -15.635 -14.736 1.00 0.00 N ATOM 1362 NH2 ARG A 83 9.057 -14.629 -16.522 1.00 0.00 N ATOM 0 H ARG A 83 8.191 -8.766 -15.299 1.00 0.00 H new ATOM 0 HA ARG A 83 7.703 -11.319 -14.021 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.223 -10.928 -14.828 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.310 -9.839 -13.458 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.213 -12.152 -13.042 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.019 -11.601 -11.884 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.857 -14.042 -12.684 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.375 -13.108 -12.651 1.00 0.00 H new ATOM 0 HE ARG A 83 8.720 -12.727 -15.123 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.216 -15.630 -13.751 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.129 -16.461 -15.308 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.610 -13.823 -16.960 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.247 -15.468 -17.071 1.00 0.00 H new ATOM 1376 N LEU A 84 7.175 -8.495 -12.809 1.00 0.00 N ATOM 1377 CA LEU A 84 6.428 -7.907 -11.672 1.00 0.00 C ATOM 1378 C LEU A 84 4.906 -7.806 -11.876 1.00 0.00 C ATOM 1379 O LEU A 84 4.213 -7.350 -10.968 1.00 0.00 O ATOM 1380 CB LEU A 84 7.072 -6.613 -11.117 1.00 0.00 C ATOM 1381 CG LEU A 84 6.579 -5.258 -11.673 1.00 0.00 C ATOM 1382 CD1 LEU A 84 6.987 -4.123 -10.736 1.00 0.00 C ATOM 1383 CD2 LEU A 84 7.154 -4.981 -13.051 1.00 0.00 C ATOM 0 H LEU A 84 7.250 -7.883 -13.621 1.00 0.00 H new ATOM 0 HA LEU A 84 6.529 -8.647 -10.878 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.924 -6.604 -10.037 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.146 -6.674 -11.291 1.00 0.00 H new ATOM 0 HG LEU A 84 5.493 -5.313 -11.747 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.634 -3.174 -11.139 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.546 -4.286 -9.753 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.073 -4.098 -10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.787 -4.020 -13.412 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.242 -4.955 -12.993 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.846 -5.769 -13.739 1.00 0.00 H new ATOM 1395 N ILE A 85 4.380 -8.261 -13.022 1.00 0.00 N ATOM 1396 CA ILE A 85 2.919 -8.400 -13.195 1.00 0.00 C ATOM 1397 C ILE A 85 2.464 -9.380 -14.277 1.00 0.00 C ATOM 1398 O ILE A 85 1.393 -9.948 -14.105 1.00 0.00 O ATOM 1399 CB ILE A 85 2.249 -7.023 -13.384 1.00 0.00 C ATOM 1400 CG1 ILE A 85 0.719 -7.153 -13.221 1.00 0.00 C ATOM 1401 CG2 ILE A 85 2.638 -6.368 -14.714 1.00 0.00 C ATOM 1402 CD1 ILE A 85 0.020 -5.828 -12.935 1.00 0.00 C ATOM 0 H ILE A 85 4.931 -8.537 -13.835 1.00 0.00 H new ATOM 0 HA ILE A 85 2.583 -8.852 -12.262 1.00 0.00 H new ATOM 0 HB ILE A 85 2.617 -6.355 -12.606 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.301 -7.586 -14.130 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.506 -7.849 -12.409 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.142 -5.401 -14.802 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.718 -6.226 -14.748 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.331 -7.010 -15.539 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.052 -5.997 -12.833 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.410 -5.403 -12.010 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.201 -5.136 -13.757 1.00 0.00 H new ATOM 1414 N LEU A 86 3.244 -9.680 -15.320 1.00 0.00 N ATOM 1415 CA LEU A 86 2.942 -10.791 -16.239 1.00 0.00 C ATOM 1416 C LEU A 86 2.585 -12.104 -15.495 1.00 0.00 C ATOM 1417 O LEU A 86 1.555 -12.698 -15.824 1.00 0.00 O ATOM 1418 CB LEU A 86 4.106 -10.929 -17.236 1.00 0.00 C ATOM 1419 CG LEU A 86 4.026 -11.993 -18.350 1.00 0.00 C ATOM 1420 CD1 LEU A 86 4.356 -13.409 -17.871 1.00 0.00 C ATOM 1421 CD2 LEU A 86 2.677 -11.999 -19.067 1.00 0.00 C ATOM 0 H LEU A 86 4.095 -9.168 -15.553 1.00 0.00 H new ATOM 0 HA LEU A 86 2.037 -10.566 -16.803 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.241 -9.961 -17.718 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.009 -11.127 -16.659 1.00 0.00 H new ATOM 0 HG LEU A 86 4.798 -11.693 -19.059 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.279 -14.103 -18.708 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.370 -13.431 -17.473 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.654 -13.702 -17.091 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.679 -12.767 -19.840 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.884 -12.209 -18.349 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.504 -11.025 -19.524 1.00 0.00 H new ATOM 1433 N PRO A 87 3.324 -12.537 -14.445 1.00 0.00 N ATOM 1434 CA PRO A 87 2.930 -13.706 -13.652 1.00 0.00 C ATOM 1435 C PRO A 87 1.674 -13.517 -12.776 1.00 0.00 C ATOM 1436 O PRO A 87 1.148 -14.527 -12.309 1.00 0.00 O ATOM 1437 CB PRO A 87 4.160 -14.073 -12.810 1.00 0.00 C ATOM 1438 CG PRO A 87 4.914 -12.754 -12.684 1.00 0.00 C ATOM 1439 CD PRO A 87 4.655 -12.094 -14.034 1.00 0.00 C ATOM 0 HA PRO A 87 2.629 -14.506 -14.329 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.875 -14.467 -11.834 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.766 -14.837 -13.297 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.539 -12.149 -11.858 1.00 0.00 H new ATOM 0 HG3 PRO A 87 5.978 -12.910 -12.506 1.00 0.00 H new ATOM 0 HD2 PRO A 87 4.698 -11.008 -13.953 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.408 -12.389 -14.764 1.00 0.00 H new ATOM 1447 N TYR A 88 1.169 -12.287 -12.560 1.00 0.00 N ATOM 1448 CA TYR A 88 -0.053 -12.058 -11.771 1.00 0.00 C ATOM 1449 C TYR A 88 -1.280 -11.721 -12.634 1.00 0.00 C ATOM 1450 O TYR A 88 -2.325 -12.330 -12.422 1.00 0.00 O ATOM 1451 CB TYR A 88 0.210 -11.045 -10.647 1.00 0.00 C ATOM 1452 CG TYR A 88 0.589 -11.695 -9.320 1.00 0.00 C ATOM 1453 CD1 TYR A 88 1.651 -12.620 -9.237 1.00 0.00 C ATOM 1454 CD2 TYR A 88 -0.153 -11.398 -8.161 1.00 0.00 C ATOM 1455 CE1 TYR A 88 1.984 -13.223 -8.008 1.00 0.00 C ATOM 1456 CE2 TYR A 88 0.166 -12.006 -6.931 1.00 0.00 C ATOM 1457 CZ TYR A 88 1.241 -12.914 -6.847 1.00 0.00 C ATOM 1458 OH TYR A 88 1.550 -13.489 -5.652 1.00 0.00 O ATOM 0 H TYR A 88 1.593 -11.434 -12.924 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.318 -13.002 -11.294 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.010 -10.372 -10.955 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.682 -10.435 -10.502 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.214 -12.868 -10.124 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.974 -10.698 -8.215 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.807 -13.921 -7.954 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.415 -11.776 -6.050 1.00 0.00 H new ATOM 0 HH TYR A 88 0.936 -13.160 -4.962 1.00 0.00 H new ATOM 1468 N GLU A 89 -1.183 -10.899 -13.690 1.00 0.00 N ATOM 1469 CA GLU A 89 -2.276 -10.773 -14.685 1.00 0.00 C ATOM 1470 C GLU A 89 -2.575 -12.110 -15.410 1.00 0.00 C ATOM 1471 O GLU A 89 -3.590 -12.248 -16.093 1.00 0.00 O ATOM 1472 CB GLU A 89 -2.137 -9.559 -15.621 1.00 0.00 C ATOM 1473 CG GLU A 89 -1.209 -9.692 -16.835 1.00 0.00 C ATOM 1474 CD GLU A 89 -1.459 -8.519 -17.809 1.00 0.00 C ATOM 1475 OE1 GLU A 89 -2.321 -8.642 -18.714 1.00 0.00 O ATOM 1476 OE2 GLU A 89 -0.816 -7.456 -17.657 1.00 0.00 O ATOM 0 H GLU A 89 -0.370 -10.314 -13.882 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.175 -10.548 -14.111 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.131 -9.303 -15.987 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.789 -8.715 -15.025 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.168 -9.694 -16.511 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.388 -10.641 -17.340 1.00 0.00 H new ATOM 1483 N ARG A 90 -1.720 -13.117 -15.164 1.00 0.00 N ATOM 1484 CA ARG A 90 -2.015 -14.516 -15.508 1.00 0.00 C ATOM 1485 C ARG A 90 -3.406 -14.940 -15.001 1.00 0.00 C ATOM 1486 O ARG A 90 -4.129 -15.608 -15.740 1.00 0.00 O ATOM 1487 CB ARG A 90 -0.911 -15.411 -14.913 1.00 0.00 C ATOM 1488 CG ARG A 90 -1.019 -16.882 -15.352 1.00 0.00 C ATOM 1489 CD ARG A 90 -0.052 -17.795 -14.579 1.00 0.00 C ATOM 1490 NE ARG A 90 1.370 -17.456 -14.800 1.00 0.00 N ATOM 1491 CZ ARG A 90 2.133 -17.827 -15.814 1.00 0.00 C ATOM 1492 NH1 ARG A 90 1.676 -18.531 -16.811 1.00 0.00 N ATOM 1493 NH2 ARG A 90 3.392 -17.497 -15.846 1.00 0.00 N ATOM 0 H ARG A 90 -0.810 -12.984 -14.723 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.031 -14.625 -16.592 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.063 -15.021 -15.209 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.957 -15.359 -13.825 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.041 -17.229 -15.202 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.810 -16.956 -16.419 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.273 -17.729 -13.514 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.223 -18.830 -14.877 1.00 0.00 H new ATOM 0 HE ARG A 90 1.812 -16.871 -14.091 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.697 -18.816 -16.828 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.298 -18.797 -17.575 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.795 -16.949 -15.086 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.975 -17.786 -16.631 1.00 0.00 H new ATOM 1507 N PHE A 91 -3.826 -14.512 -13.798 1.00 0.00 N ATOM 1508 CA PHE A 91 -5.193 -14.784 -13.319 1.00 0.00 C ATOM 1509 C PHE A 91 -6.294 -14.042 -14.101 1.00 0.00 C ATOM 1510 O PHE A 91 -7.389 -14.581 -14.236 1.00 0.00 O ATOM 1511 CB PHE A 91 -5.338 -14.629 -11.790 1.00 0.00 C ATOM 1512 CG PHE A 91 -4.925 -13.323 -11.119 1.00 0.00 C ATOM 1513 CD1 PHE A 91 -5.546 -12.096 -11.437 1.00 0.00 C ATOM 1514 CD2 PHE A 91 -3.953 -13.352 -10.096 1.00 0.00 C ATOM 1515 CE1 PHE A 91 -5.159 -10.912 -10.783 1.00 0.00 C ATOM 1516 CE2 PHE A 91 -3.578 -12.172 -9.432 1.00 0.00 C ATOM 1517 CZ PHE A 91 -4.170 -10.949 -9.787 1.00 0.00 C ATOM 0 H PHE A 91 -3.247 -13.983 -13.146 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.357 -15.839 -13.537 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.385 -14.805 -11.543 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.762 -15.430 -11.326 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.323 -12.066 -12.187 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.493 -14.290 -9.821 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.623 -9.973 -11.047 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.835 -12.205 -8.649 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.865 -10.038 -9.294 1.00 0.00 H new ATOM 1527 N ILE A 92 -6.026 -12.880 -14.710 1.00 0.00 N ATOM 1528 CA ILE A 92 -7.023 -12.201 -15.568 1.00 0.00 C ATOM 1529 C ILE A 92 -7.305 -13.035 -16.832 1.00 0.00 C ATOM 1530 O ILE A 92 -8.437 -13.083 -17.312 1.00 0.00 O ATOM 1531 CB ILE A 92 -6.551 -10.768 -15.934 1.00 0.00 C ATOM 1532 CG1 ILE A 92 -6.227 -9.901 -14.693 1.00 0.00 C ATOM 1533 CG2 ILE A 92 -7.556 -10.026 -16.834 1.00 0.00 C ATOM 1534 CD1 ILE A 92 -7.409 -9.608 -13.756 1.00 0.00 C ATOM 0 H ILE A 92 -5.136 -12.388 -14.630 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.954 -12.111 -15.009 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.627 -10.915 -16.494 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.447 -10.400 -14.118 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.814 -8.952 -15.034 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.176 -9.029 -17.059 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.692 -10.581 -17.762 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.513 -9.942 -16.319 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.069 -8.994 -12.922 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.185 -9.075 -14.305 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.813 -10.546 -13.375 1.00 0.00 H new ATOM 1546 N LYS A 93 -6.294 -13.763 -17.325 1.00 0.00 N ATOM 1547 CA LYS A 93 -6.409 -14.566 -18.557 1.00 0.00 C ATOM 1548 C LYS A 93 -7.246 -15.850 -18.381 1.00 0.00 C ATOM 1549 O LYS A 93 -7.620 -16.473 -19.375 1.00 0.00 O ATOM 1550 CB LYS A 93 -4.982 -14.862 -19.074 1.00 0.00 C ATOM 1551 CG LYS A 93 -4.893 -15.274 -20.556 1.00 0.00 C ATOM 1552 CD LYS A 93 -5.215 -14.125 -21.529 1.00 0.00 C ATOM 1553 CE LYS A 93 -5.354 -14.618 -22.976 1.00 0.00 C ATOM 1554 NZ LYS A 93 -6.644 -15.324 -23.194 1.00 0.00 N ATOM 0 H LYS A 93 -5.375 -13.814 -16.885 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.961 -13.988 -19.298 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.367 -13.975 -18.923 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.550 -15.657 -18.466 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.889 -15.645 -20.763 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.582 -16.099 -20.738 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.141 -13.638 -21.221 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.427 -13.374 -21.476 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.283 -13.770 -23.658 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.528 -15.288 -23.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.733 -15.583 -24.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.672 -16.184 -22.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.431 -14.699 -22.927 1.00 0.00 H new