USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 514 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 23 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.16) USER MOD Set 1.2: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 19 TYR OH : rot -121:sc= 1.2 USER MOD Set 2.2: A 35 ASN : amide:sc= 0.545 K(o=1.7,f=-0.075!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 24 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.0093) USER MOD Single : A 28 SER OG : rot 180:sc= 0.503 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.118 K(o=-0.12,f=-0.71) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.857 K(o=0.86,f=-0.54) USER MOD Single : A 56 GLN : amide:sc= -0.0723 X(o=-0.072,f=-0.23) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0.927 (180deg=0.908) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.091) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 144:sc= 0.845 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 11 0.930 -0.407 -1.076 1.00 0.00 N ATOM 2 CA GLY A 11 1.590 -0.013 0.163 1.00 0.00 C ATOM 3 C GLY A 11 2.142 1.403 0.068 1.00 0.00 C ATOM 4 O GLY A 11 3.267 1.671 0.489 1.00 0.00 O ATOM 0 HA2 GLY A 11 0.883 -0.076 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.400 -0.708 0.383 1.00 0.00 H new ATOM 8 N ALA A 12 1.343 2.308 -0.488 1.00 0.00 N ATOM 9 CA ALA A 12 1.754 3.698 -0.650 1.00 0.00 C ATOM 10 C ALA A 12 1.949 4.375 0.701 1.00 0.00 C ATOM 11 O ALA A 12 2.909 5.121 0.899 1.00 0.00 O ATOM 12 CB ALA A 12 0.736 4.457 -1.486 1.00 0.00 C ATOM 0 H ALA A 12 0.406 2.103 -0.834 1.00 0.00 H new ATOM 0 HA ALA A 12 2.711 3.709 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.057 5.493 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.655 3.994 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.235 4.429 -0.991 1.00 0.00 H new ATOM 18 N PRO A 13 1.034 4.110 1.628 1.00 0.00 N ATOM 19 CA PRO A 13 1.122 4.669 2.971 1.00 0.00 C ATOM 20 C PRO A 13 2.450 4.319 3.628 1.00 0.00 C ATOM 21 O PRO A 13 3.059 5.151 4.302 1.00 0.00 O ATOM 22 CB PRO A 13 -0.069 4.049 3.711 1.00 0.00 C ATOM 23 CG PRO A 13 -1.053 3.737 2.637 1.00 0.00 C ATOM 24 CD PRO A 13 -0.229 3.282 1.461 1.00 0.00 C ATOM 0 HA PRO A 13 1.084 5.758 2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.225 3.150 4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.486 4.741 4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.748 2.960 2.954 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.649 4.613 2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -0.024 2.212 1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.726 3.481 0.512 1.00 0.00 H new ATOM 32 N GLY A 14 2.897 3.084 3.428 1.00 0.00 N ATOM 33 CA GLY A 14 4.154 2.621 4.001 1.00 0.00 C ATOM 34 C GLY A 14 5.344 3.315 3.350 1.00 0.00 C ATOM 35 O GLY A 14 6.293 3.710 4.030 1.00 0.00 O ATOM 0 H GLY A 14 2.405 2.384 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.160 2.813 5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.242 1.543 3.869 1.00 0.00 H new ATOM 39 N ILE A 15 5.289 3.461 2.031 1.00 0.00 N ATOM 40 CA ILE A 15 6.343 4.145 1.292 1.00 0.00 C ATOM 41 C ILE A 15 6.446 5.607 1.702 1.00 0.00 C ATOM 42 O ILE A 15 7.541 6.127 1.919 1.00 0.00 O ATOM 43 CB ILE A 15 6.111 4.063 -0.228 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.274 2.621 -0.717 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.068 4.989 -0.964 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.779 2.394 -2.127 1.00 0.00 C ATOM 0 H ILE A 15 4.525 3.114 1.451 1.00 0.00 H new ATOM 0 HA ILE A 15 7.276 3.638 1.536 1.00 0.00 H new ATOM 0 HB ILE A 15 5.091 4.385 -0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.327 2.346 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.736 1.956 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.890 4.918 -2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.905 6.016 -0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.096 4.697 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.928 1.350 -2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.718 2.636 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.334 3.033 -2.815 1.00 0.00 H new ATOM 58 N ILE A 16 5.298 6.269 1.807 1.00 0.00 N ATOM 59 CA ILE A 16 5.260 7.694 2.115 1.00 0.00 C ATOM 60 C ILE A 16 5.689 7.959 3.552 1.00 0.00 C ATOM 61 O ILE A 16 6.474 8.869 3.819 1.00 0.00 O ATOM 62 CB ILE A 16 3.856 8.283 1.892 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.504 8.274 0.402 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.775 9.694 2.453 1.00 0.00 C ATOM 65 CD1 ILE A 16 2.048 8.565 0.116 1.00 0.00 C ATOM 0 H ILE A 16 4.381 5.841 1.683 1.00 0.00 H new ATOM 0 HA ILE A 16 5.960 8.180 1.435 1.00 0.00 H new ATOM 0 HB ILE A 16 3.132 7.663 2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.120 9.012 -0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.759 7.300 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.775 10.095 2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.984 9.673 3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.508 10.327 1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.877 8.541 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.425 7.813 0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.791 9.551 0.502 1.00 0.00 H new ATOM 77 N LEU A 17 5.170 7.158 4.477 1.00 0.00 N ATOM 78 CA LEU A 17 5.524 7.283 5.885 1.00 0.00 C ATOM 79 C LEU A 17 7.025 7.119 6.094 1.00 0.00 C ATOM 80 O LEU A 17 7.669 7.958 6.723 1.00 0.00 O ATOM 81 CB LEU A 17 4.754 6.252 6.720 1.00 0.00 C ATOM 82 CG LEU A 17 5.063 6.265 8.222 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.725 7.627 8.813 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.272 5.165 8.914 1.00 0.00 C ATOM 0 H LEU A 17 4.502 6.414 4.276 1.00 0.00 H new ATOM 0 HA LEU A 17 5.247 8.284 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.686 6.423 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.970 5.258 6.330 1.00 0.00 H new ATOM 0 HG LEU A 17 6.126 6.081 8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.948 7.626 9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.319 8.396 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.666 7.836 8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.492 5.175 9.981 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.206 5.333 8.762 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.550 4.198 8.495 1.00 0.00 H new ATOM 96 N ARG A 18 7.575 6.034 5.560 1.00 0.00 N ATOM 97 CA ARG A 18 9.014 5.803 5.607 1.00 0.00 C ATOM 98 C ARG A 18 9.779 6.977 5.008 1.00 0.00 C ATOM 99 O ARG A 18 10.771 7.438 5.574 1.00 0.00 O ATOM 100 CB ARG A 18 9.407 4.489 4.949 1.00 0.00 C ATOM 101 CG ARG A 18 10.899 4.198 4.943 1.00 0.00 C ATOM 102 CD ARG A 18 11.263 2.878 4.365 1.00 0.00 C ATOM 103 NE ARG A 18 12.693 2.648 4.244 1.00 0.00 N ATOM 104 CZ ARG A 18 13.248 1.502 3.802 1.00 0.00 C ATOM 105 NH1 ARG A 18 12.502 0.469 3.475 1.00 0.00 N ATOM 106 NH2 ARG A 18 14.566 1.435 3.729 1.00 0.00 N ATOM 0 H ARG A 18 7.046 5.300 5.089 1.00 0.00 H new ATOM 0 HA ARG A 18 9.292 5.723 6.658 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.895 3.675 5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.048 4.493 3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.408 4.981 4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.271 4.248 5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.832 2.092 4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.809 2.790 3.378 1.00 0.00 H new ATOM 0 HE ARG A 18 13.320 3.406 4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.487 0.528 3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.939 -0.391 3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.133 2.237 4.003 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.016 0.581 3.398 1.00 0.00 H new ATOM 120 N TYR A 19 9.313 7.457 3.861 1.00 0.00 N ATOM 121 CA TYR A 19 9.935 8.598 3.198 1.00 0.00 C ATOM 122 C TYR A 19 10.000 9.805 4.125 1.00 0.00 C ATOM 123 O TYR A 19 11.056 10.417 4.290 1.00 0.00 O ATOM 124 CB TYR A 19 9.171 8.957 1.921 1.00 0.00 C ATOM 125 CG TYR A 19 9.604 10.265 1.296 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.792 10.357 0.586 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.821 11.404 1.415 1.00 0.00 C ATOM 128 CE1 TYR A 19 11.192 11.548 0.013 1.00 0.00 C ATOM 129 CE2 TYR A 19 9.210 12.600 0.846 1.00 0.00 C ATOM 130 CZ TYR A 19 10.397 12.669 0.146 1.00 0.00 C ATOM 131 OH TYR A 19 10.789 13.859 -0.424 1.00 0.00 O ATOM 0 H TYR A 19 8.505 7.074 3.370 1.00 0.00 H new ATOM 0 HA TYR A 19 10.954 8.315 2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.303 8.156 1.193 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.106 9.009 2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.415 9.481 0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.891 11.354 1.962 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.121 11.602 -0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.588 13.477 0.948 1.00 0.00 H new ATOM 0 HH TYR A 19 10.866 14.545 0.271 1.00 0.00 H new ATOM 141 N LEU A 20 8.866 10.144 4.729 1.00 0.00 N ATOM 142 CA LEU A 20 8.768 11.333 5.565 1.00 0.00 C ATOM 143 C LEU A 20 9.643 11.209 6.805 1.00 0.00 C ATOM 144 O LEU A 20 10.214 12.193 7.276 1.00 0.00 O ATOM 145 CB LEU A 20 7.308 11.583 5.964 1.00 0.00 C ATOM 146 CG LEU A 20 6.383 12.016 4.819 1.00 0.00 C ATOM 147 CD1 LEU A 20 4.939 12.047 5.299 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.811 13.385 4.310 1.00 0.00 C ATOM 0 H LEU A 20 8.000 9.610 4.654 1.00 0.00 H new ATOM 0 HA LEU A 20 9.127 12.184 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.908 10.671 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.286 12.350 6.738 1.00 0.00 H new ATOM 0 HG LEU A 20 6.456 11.299 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.290 12.355 4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.647 11.053 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.845 12.755 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.154 13.693 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.749 14.111 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.838 13.334 3.947 1.00 0.00 H new ATOM 160 N GLN A 21 9.745 9.993 7.331 1.00 0.00 N ATOM 161 CA GLN A 21 10.537 9.740 8.530 1.00 0.00 C ATOM 162 C GLN A 21 12.028 9.830 8.233 1.00 0.00 C ATOM 163 O GLN A 21 12.798 10.367 9.029 1.00 0.00 O ATOM 164 CB GLN A 21 10.207 8.362 9.109 1.00 0.00 C ATOM 165 CG GLN A 21 8.858 8.286 9.804 1.00 0.00 C ATOM 166 CD GLN A 21 8.545 6.889 10.308 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.264 5.931 10.010 1.00 0.00 O ATOM 168 NE2 GLN A 21 7.466 6.765 11.072 1.00 0.00 N ATOM 0 H GLN A 21 9.289 9.166 6.946 1.00 0.00 H new ATOM 0 HA GLN A 21 10.284 10.506 9.263 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.231 7.627 8.304 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.985 8.083 9.819 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.844 8.983 10.642 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.078 8.603 9.112 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.901 7.585 11.293 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.203 5.850 11.438 1.00 0.00 H new ATOM 177 N GLU A 22 12.431 9.299 7.083 1.00 0.00 N ATOM 178 CA GLU A 22 13.835 9.291 6.693 1.00 0.00 C ATOM 179 C GLU A 22 14.324 10.694 6.359 1.00 0.00 C ATOM 180 O GLU A 22 15.476 11.039 6.620 1.00 0.00 O ATOM 181 CB GLU A 22 14.054 8.359 5.499 1.00 0.00 C ATOM 182 CG GLU A 22 13.996 6.876 5.838 1.00 0.00 C ATOM 183 CD GLU A 22 14.211 6.028 4.616 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.242 6.571 3.537 1.00 0.00 O ATOM 185 OE2 GLU A 22 14.453 4.854 4.767 1.00 0.00 O ATOM 0 H GLU A 22 11.803 8.868 6.404 1.00 0.00 H new ATOM 0 HA GLU A 22 14.413 8.923 7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.300 8.576 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.025 8.580 5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.755 6.641 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.029 6.640 6.282 1.00 0.00 H new ATOM 192 N GLN A 23 13.438 11.500 5.782 1.00 0.00 N ATOM 193 CA GLN A 23 13.788 12.857 5.379 1.00 0.00 C ATOM 194 C GLN A 23 13.714 13.819 6.558 1.00 0.00 C ATOM 195 O GLN A 23 14.540 14.722 6.689 1.00 0.00 O ATOM 196 CB GLN A 23 12.861 13.341 4.261 1.00 0.00 C ATOM 197 CG GLN A 23 12.995 12.563 2.962 1.00 0.00 C ATOM 198 CD GLN A 23 14.407 12.600 2.409 1.00 0.00 C ATOM 199 OE1 GLN A 23 15.023 13.664 2.313 1.00 0.00 O ATOM 200 NE2 GLN A 23 14.926 11.435 2.038 1.00 0.00 N ATOM 0 H GLN A 23 12.473 11.237 5.583 1.00 0.00 H new ATOM 0 HA GLN A 23 14.814 12.837 5.012 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.829 13.276 4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.066 14.393 4.064 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.701 11.527 3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.307 12.974 2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.380 10.579 2.135 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.871 11.396 1.656 1.00 0.00 H new ATOM 209 N ASN A 24 12.721 13.617 7.418 1.00 0.00 N ATOM 210 CA ASN A 24 12.525 14.479 8.578 1.00 0.00 C ATOM 211 C ASN A 24 12.185 15.902 8.156 1.00 0.00 C ATOM 212 O ASN A 24 12.540 16.865 8.837 1.00 0.00 O ATOM 213 CB ASN A 24 13.744 14.478 9.482 1.00 0.00 C ATOM 214 CG ASN A 24 13.998 13.156 10.153 1.00 0.00 C ATOM 215 OD1 ASN A 24 13.140 12.623 10.865 1.00 0.00 O ATOM 216 ND2 ASN A 24 15.202 12.666 9.996 1.00 0.00 N ATOM 0 H ASN A 24 12.039 12.863 7.333 1.00 0.00 H new ATOM 0 HA ASN A 24 11.683 14.075 9.140 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.621 14.752 8.895 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.619 15.245 10.246 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.468 11.805 10.473 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.874 13.145 9.396 1.00 0.00 H new ATOM 223 N ARG A 25 11.492 16.030 7.029 1.00 0.00 N ATOM 224 CA ARG A 25 11.142 17.338 6.488 1.00 0.00 C ATOM 225 C ARG A 25 9.709 17.357 5.975 1.00 0.00 C ATOM 226 O ARG A 25 9.182 16.333 5.540 1.00 0.00 O ATOM 227 CB ARG A 25 12.122 17.798 5.420 1.00 0.00 C ATOM 228 CG ARG A 25 13.547 18.011 5.908 1.00 0.00 C ATOM 229 CD ARG A 25 13.719 19.182 6.805 1.00 0.00 C ATOM 230 NE ARG A 25 15.099 19.470 7.161 1.00 0.00 N ATOM 231 CZ ARG A 25 15.758 18.899 8.188 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.161 18.039 8.983 1.00 0.00 N ATOM 233 NH2 ARG A 25 17.019 19.244 8.389 1.00 0.00 N ATOM 0 H ARG A 25 11.161 15.242 6.472 1.00 0.00 H new ATOM 0 HA ARG A 25 11.212 18.052 7.308 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.135 17.061 4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.757 18.731 4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.876 17.115 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.200 18.132 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.291 20.060 6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.149 19.011 7.718 1.00 0.00 H new ATOM 0 HE ARG A 25 15.603 20.152 6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.183 17.794 8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.676 17.616 9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.466 19.925 7.775 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.545 18.829 9.158 1.00 0.00 H new ATOM 247 N PRO A 26 9.081 18.527 6.029 1.00 0.00 N ATOM 248 CA PRO A 26 7.725 18.694 5.518 1.00 0.00 C ATOM 249 C PRO A 26 7.707 18.696 3.995 1.00 0.00 C ATOM 250 O PRO A 26 8.549 19.327 3.356 1.00 0.00 O ATOM 251 CB PRO A 26 7.267 20.034 6.103 1.00 0.00 C ATOM 252 CG PRO A 26 8.524 20.819 6.261 1.00 0.00 C ATOM 253 CD PRO A 26 9.582 19.811 6.622 1.00 0.00 C ATOM 0 HA PRO A 26 7.062 17.878 5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.565 20.538 5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.761 19.898 7.059 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.779 21.343 5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.420 21.575 7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.553 20.088 6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.704 19.730 7.702 1.00 0.00 H new ATOM 261 N TYR A 27 6.741 17.988 3.419 1.00 0.00 N ATOM 262 CA TYR A 27 6.573 17.958 1.971 1.00 0.00 C ATOM 263 C TYR A 27 5.108 18.111 1.584 1.00 0.00 C ATOM 264 O TYR A 27 4.224 17.547 2.229 1.00 0.00 O ATOM 265 CB TYR A 27 7.136 16.658 1.393 1.00 0.00 C ATOM 266 CG TYR A 27 8.631 16.508 1.565 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.512 17.078 0.658 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.157 15.794 2.631 1.00 0.00 C ATOM 269 CE1 TYR A 27 10.879 16.943 0.810 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.522 15.654 2.794 1.00 0.00 C ATOM 271 CZ TYR A 27 11.380 16.231 1.879 1.00 0.00 C ATOM 272 OH TYR A 27 12.741 16.093 2.035 1.00 0.00 O ATOM 0 H TYR A 27 6.062 17.427 3.934 1.00 0.00 H new ATOM 0 HA TYR A 27 7.126 18.800 1.554 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.639 15.814 1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.896 16.610 0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.123 17.636 -0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.488 15.339 3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.552 17.393 0.095 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.915 15.097 3.632 1.00 0.00 H new ATOM 0 HH TYR A 27 13.194 16.877 1.660 1.00 0.00 H new ATOM 282 N SER A 28 4.857 18.876 0.527 1.00 0.00 N ATOM 283 CA SER A 28 3.501 19.073 0.028 1.00 0.00 C ATOM 284 C SER A 28 2.964 17.804 -0.622 1.00 0.00 C ATOM 285 O SER A 28 3.718 16.873 -0.905 1.00 0.00 O ATOM 286 CB SER A 28 3.468 20.225 -0.956 1.00 0.00 C ATOM 287 OG SER A 28 4.051 19.884 -2.184 1.00 0.00 O ATOM 0 H SER A 28 5.576 19.370 -0.001 1.00 0.00 H new ATOM 0 HA SER A 28 2.859 19.313 0.876 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.435 20.534 -1.118 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.993 21.080 -0.531 1.00 0.00 H new ATOM 0 HG SER A 28 4.009 20.652 -2.791 1.00 0.00 H new ATOM 293 N ALA A 29 1.657 17.773 -0.857 1.00 0.00 N ATOM 294 CA ALA A 29 1.037 16.680 -1.597 1.00 0.00 C ATOM 295 C ALA A 29 1.711 16.475 -2.947 1.00 0.00 C ATOM 296 O ALA A 29 1.840 15.347 -3.423 1.00 0.00 O ATOM 297 CB ALA A 29 -0.451 16.940 -1.777 1.00 0.00 C ATOM 0 H ALA A 29 1.005 18.493 -0.545 1.00 0.00 H new ATOM 0 HA ALA A 29 1.165 15.765 -1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.900 16.116 -2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.927 17.022 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.594 17.869 -2.329 1.00 0.00 H new ATOM 303 N GLN A 30 2.142 17.572 -3.560 1.00 0.00 N ATOM 304 CA GLN A 30 2.812 17.514 -4.853 1.00 0.00 C ATOM 305 C GLN A 30 4.263 17.079 -4.703 1.00 0.00 C ATOM 306 O GLN A 30 4.796 16.359 -5.549 1.00 0.00 O ATOM 307 CB GLN A 30 2.751 18.877 -5.550 1.00 0.00 C ATOM 308 CG GLN A 30 1.358 19.285 -5.998 1.00 0.00 C ATOM 309 CD GLN A 30 1.341 20.648 -6.663 1.00 0.00 C ATOM 310 OE1 GLN A 30 2.363 21.336 -6.728 1.00 0.00 O ATOM 311 NE2 GLN A 30 0.175 21.049 -7.158 1.00 0.00 N ATOM 0 H GLN A 30 2.039 18.513 -3.181 1.00 0.00 H new ATOM 0 HA GLN A 30 2.291 16.775 -5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.140 19.637 -4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.409 18.858 -6.419 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.970 18.540 -6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.691 19.296 -5.136 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.645 20.447 -7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.100 21.958 -7.614 1.00 0.00 H new ATOM 320 N ASP A 31 4.899 17.519 -3.623 1.00 0.00 N ATOM 321 CA ASP A 31 6.274 17.129 -3.331 1.00 0.00 C ATOM 322 C ASP A 31 6.396 15.619 -3.165 1.00 0.00 C ATOM 323 O ASP A 31 7.259 14.987 -3.773 1.00 0.00 O ATOM 324 CB ASP A 31 6.776 17.838 -2.070 1.00 0.00 C ATOM 325 CG ASP A 31 6.998 19.335 -2.237 1.00 0.00 C ATOM 326 OD1 ASP A 31 7.082 19.782 -3.356 1.00 0.00 O ATOM 327 OD2 ASP A 31 6.925 20.038 -1.258 1.00 0.00 O ATOM 0 H ASP A 31 4.484 18.147 -2.934 1.00 0.00 H new ATOM 0 HA ASP A 31 6.892 17.430 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.057 17.677 -1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.713 17.377 -1.757 1.00 0.00 H new ATOM 332 N VAL A 32 5.525 15.048 -2.340 1.00 0.00 N ATOM 333 CA VAL A 32 5.576 13.622 -2.041 1.00 0.00 C ATOM 334 C VAL A 32 5.307 12.787 -3.287 1.00 0.00 C ATOM 335 O VAL A 32 6.030 11.833 -3.574 1.00 0.00 O ATOM 336 CB VAL A 32 4.560 13.237 -0.949 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.495 11.725 -0.790 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.924 13.895 0.373 1.00 0.00 C ATOM 0 H VAL A 32 4.775 15.551 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 32 6.583 13.414 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 32 3.576 13.594 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.772 11.471 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.189 11.273 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.477 11.346 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.196 13.612 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.917 13.567 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.921 14.978 0.253 1.00 0.00 H new ATOM 348 N PHE A 33 4.265 13.153 -4.024 1.00 0.00 N ATOM 349 CA PHE A 33 3.928 12.469 -5.267 1.00 0.00 C ATOM 350 C PHE A 33 5.078 12.538 -6.263 1.00 0.00 C ATOM 351 O PHE A 33 5.548 11.512 -6.756 1.00 0.00 O ATOM 352 CB PHE A 33 2.663 13.071 -5.882 1.00 0.00 C ATOM 353 CG PHE A 33 2.422 12.651 -7.304 1.00 0.00 C ATOM 354 CD1 PHE A 33 2.153 11.327 -7.615 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.464 13.578 -8.334 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.930 10.939 -8.923 1.00 0.00 C ATOM 357 CE2 PHE A 33 2.241 13.195 -9.642 1.00 0.00 C ATOM 358 CZ PHE A 33 1.974 11.872 -9.936 1.00 0.00 C ATOM 0 H PHE A 33 3.638 13.920 -3.782 1.00 0.00 H new ATOM 0 HA PHE A 33 3.744 11.421 -5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.803 12.783 -5.277 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.732 14.158 -5.841 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.117 10.590 -6.826 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.674 14.614 -8.111 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.721 9.904 -9.151 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.275 13.929 -10.434 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.800 11.569 -10.958 1.00 0.00 H new ATOM 368 N GLY A 34 5.529 13.753 -6.556 1.00 0.00 N ATOM 369 CA GLY A 34 6.547 13.967 -7.577 1.00 0.00 C ATOM 370 C GLY A 34 7.823 13.200 -7.254 1.00 0.00 C ATOM 371 O GLY A 34 8.462 12.636 -8.141 1.00 0.00 O ATOM 0 H GLY A 34 5.205 14.606 -6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.165 13.650 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.769 15.031 -7.655 1.00 0.00 H new ATOM 375 N ASN A 35 8.189 13.185 -5.977 1.00 0.00 N ATOM 376 CA ASN A 35 9.438 12.569 -5.545 1.00 0.00 C ATOM 377 C ASN A 35 9.340 11.049 -5.573 1.00 0.00 C ATOM 378 O ASN A 35 10.323 10.359 -5.850 1.00 0.00 O ATOM 379 CB ASN A 35 9.842 13.042 -4.161 1.00 0.00 C ATOM 380 CG ASN A 35 10.336 14.463 -4.128 1.00 0.00 C ATOM 381 OD1 ASN A 35 10.737 15.026 -5.153 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.384 15.016 -2.943 1.00 0.00 N ATOM 0 H ASN A 35 7.638 13.593 -5.222 1.00 0.00 H new ATOM 0 HA ASN A 35 10.210 12.880 -6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.988 12.948 -3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.623 12.386 -3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.766 15.955 -2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.039 14.508 -2.129 1.00 0.00 H new ATOM 389 N LEU A 36 8.151 10.532 -5.288 1.00 0.00 N ATOM 390 CA LEU A 36 7.931 9.091 -5.245 1.00 0.00 C ATOM 391 C LEU A 36 7.395 8.576 -6.574 1.00 0.00 C ATOM 392 O LEU A 36 7.242 7.369 -6.768 1.00 0.00 O ATOM 393 CB LEU A 36 6.966 8.735 -4.106 1.00 0.00 C ATOM 394 CG LEU A 36 7.439 9.131 -2.702 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.369 8.785 -1.675 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.743 8.416 -2.384 1.00 0.00 C ATOM 0 H LEU A 36 7.322 11.090 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 36 8.890 8.608 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.008 9.218 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.790 7.659 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 36 7.612 10.207 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.713 9.070 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.451 9.325 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.175 7.713 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.079 8.698 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.586 7.338 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.501 8.699 -3.115 1.00 0.00 H new ATOM 408 N GLN A 37 7.112 9.497 -7.489 1.00 0.00 N ATOM 409 CA GLN A 37 6.640 9.135 -8.820 1.00 0.00 C ATOM 410 C GLN A 37 7.727 8.425 -9.615 1.00 0.00 C ATOM 411 O GLN A 37 7.464 7.433 -10.296 1.00 0.00 O ATOM 412 CB GLN A 37 6.174 10.381 -9.580 1.00 0.00 C ATOM 413 CG GLN A 37 5.639 10.095 -10.973 1.00 0.00 C ATOM 414 CD GLN A 37 5.220 11.357 -11.702 1.00 0.00 C ATOM 415 OE1 GLN A 37 5.452 12.472 -11.225 1.00 0.00 O ATOM 416 NE2 GLN A 37 4.598 11.190 -12.864 1.00 0.00 N ATOM 0 H GLN A 37 7.202 10.501 -7.333 1.00 0.00 H new ATOM 0 HA GLN A 37 5.799 8.452 -8.699 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.397 10.878 -8.999 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.008 11.078 -9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.404 9.580 -11.554 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.786 9.421 -10.900 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.427 10.250 -13.220 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.291 12.002 -13.400 1.00 0.00 H new ATOM 425 N LYS A 38 8.950 8.937 -9.525 1.00 0.00 N ATOM 426 CA LYS A 38 10.061 8.408 -10.307 1.00 0.00 C ATOM 427 C LYS A 38 10.784 7.297 -9.557 1.00 0.00 C ATOM 428 O LYS A 38 11.478 6.478 -10.160 1.00 0.00 O ATOM 429 CB LYS A 38 11.044 9.526 -10.665 1.00 0.00 C ATOM 430 CG LYS A 38 10.470 10.598 -11.582 1.00 0.00 C ATOM 431 CD LYS A 38 11.507 11.664 -11.903 1.00 0.00 C ATOM 432 CE LYS A 38 10.945 12.717 -12.846 1.00 0.00 C ATOM 433 NZ LYS A 38 11.953 13.760 -13.181 1.00 0.00 N ATOM 0 H LYS A 38 9.197 9.718 -8.918 1.00 0.00 H new ATOM 0 HA LYS A 38 9.651 7.988 -11.226 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.389 9.998 -9.745 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.918 9.085 -11.144 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.119 10.139 -12.506 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.605 11.061 -11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.840 12.140 -10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.382 11.198 -12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.602 12.237 -13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.075 13.187 -12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.529 14.458 -13.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.262 14.236 -12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.772 13.316 -13.642 1.00 0.00 H new ATOM 447 N GLU A 39 10.616 7.274 -8.239 1.00 0.00 N ATOM 448 CA GLU A 39 11.335 6.330 -7.392 1.00 0.00 C ATOM 449 C GLU A 39 10.550 5.035 -7.221 1.00 0.00 C ATOM 450 O GLU A 39 11.118 3.944 -7.261 1.00 0.00 O ATOM 451 CB GLU A 39 11.628 6.953 -6.025 1.00 0.00 C ATOM 452 CG GLU A 39 12.612 8.113 -6.061 1.00 0.00 C ATOM 453 CD GLU A 39 12.862 8.659 -4.683 1.00 0.00 C ATOM 454 OE1 GLU A 39 12.276 8.162 -3.752 1.00 0.00 O ATOM 455 OE2 GLU A 39 13.722 9.497 -4.546 1.00 0.00 O ATOM 0 H GLU A 39 9.988 7.899 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 39 12.279 6.093 -7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.691 7.300 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.020 6.180 -5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.553 7.781 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.223 8.903 -6.703 1.00 0.00 H new ATOM 462 N HIS A 40 9.242 5.164 -7.029 1.00 0.00 N ATOM 463 CA HIS A 40 8.397 4.017 -6.719 1.00 0.00 C ATOM 464 C HIS A 40 7.299 3.844 -7.761 1.00 0.00 C ATOM 465 O HIS A 40 6.914 2.721 -8.090 1.00 0.00 O ATOM 466 CB HIS A 40 7.778 4.163 -5.325 1.00 0.00 C ATOM 467 CG HIS A 40 8.782 4.133 -4.215 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.419 5.267 -3.757 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.259 3.107 -3.472 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.244 4.939 -2.779 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.166 3.636 -2.587 1.00 0.00 N ATOM 0 H HIS A 40 8.744 6.052 -7.083 1.00 0.00 H new ATOM 0 HA HIS A 40 9.028 3.128 -6.734 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.226 5.102 -5.279 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.056 3.361 -5.172 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.979 2.068 -3.559 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.875 5.622 -2.230 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.694 3.107 -1.893 1.00 0.00 H new ATOM 479 N GLY A 41 6.798 4.961 -8.276 1.00 0.00 N ATOM 480 CA GLY A 41 5.782 4.933 -9.322 1.00 0.00 C ATOM 481 C GLY A 41 4.380 4.971 -8.728 1.00 0.00 C ATOM 482 O GLY A 41 3.449 4.381 -9.274 1.00 0.00 O ATOM 0 H GLY A 41 7.079 5.898 -7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.920 5.783 -9.990 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.901 4.032 -9.924 1.00 0.00 H new ATOM 486 N LEU A 42 4.236 5.669 -7.607 1.00 0.00 N ATOM 487 CA LEU A 42 2.940 5.812 -6.954 1.00 0.00 C ATOM 488 C LEU A 42 2.043 6.777 -7.715 1.00 0.00 C ATOM 489 O LEU A 42 2.507 7.789 -8.241 1.00 0.00 O ATOM 490 CB LEU A 42 3.126 6.284 -5.506 1.00 0.00 C ATOM 491 CG LEU A 42 3.886 5.313 -4.595 1.00 0.00 C ATOM 492 CD1 LEU A 42 4.072 5.929 -3.215 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.124 4.000 -4.500 1.00 0.00 C ATOM 0 H LEU A 42 5.002 6.145 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 42 2.454 4.836 -6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.655 7.237 -5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.143 6.470 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 42 4.871 5.116 -5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.613 5.232 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.640 6.855 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.097 6.142 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.666 3.311 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.133 4.184 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.027 3.563 -5.494 1.00 0.00 H new ATOM 505 N GLY A 43 0.753 6.459 -7.772 1.00 0.00 N ATOM 506 CA GLY A 43 -0.212 7.298 -8.471 1.00 0.00 C ATOM 507 C GLY A 43 -0.541 8.548 -7.666 1.00 0.00 C ATOM 508 O GLY A 43 -0.344 8.585 -6.451 1.00 0.00 O ATOM 0 H GLY A 43 0.353 5.625 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.188 7.584 -9.444 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.124 6.731 -8.656 1.00 0.00 H new ATOM 512 N LYS A 44 -1.044 9.571 -8.348 1.00 0.00 N ATOM 513 CA LYS A 44 -1.355 10.842 -7.706 1.00 0.00 C ATOM 514 C LYS A 44 -2.454 10.678 -6.665 1.00 0.00 C ATOM 515 O LYS A 44 -2.319 11.132 -5.528 1.00 0.00 O ATOM 516 CB LYS A 44 -1.770 11.882 -8.749 1.00 0.00 C ATOM 517 CG LYS A 44 -2.030 13.271 -8.182 1.00 0.00 C ATOM 518 CD LYS A 44 -2.319 14.274 -9.288 1.00 0.00 C ATOM 519 CE LYS A 44 -2.613 15.656 -8.722 1.00 0.00 C ATOM 520 NZ LYS A 44 -2.923 16.643 -9.792 1.00 0.00 N ATOM 0 H LYS A 44 -1.245 9.544 -9.348 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.454 11.189 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.989 11.952 -9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.672 11.534 -9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.874 13.233 -7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.164 13.600 -7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.465 14.330 -9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.170 13.932 -9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.454 15.593 -8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.754 16.002 -8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.117 17.570 -9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.111 16.723 -10.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.758 16.327 -10.325 1.00 0.00 H new ATOM 534 N ALA A 45 -3.543 10.026 -7.058 1.00 0.00 N ATOM 535 CA ALA A 45 -4.642 9.748 -6.143 1.00 0.00 C ATOM 536 C ALA A 45 -4.206 8.807 -5.027 1.00 0.00 C ATOM 537 O ALA A 45 -4.660 8.925 -3.890 1.00 0.00 O ATOM 538 CB ALA A 45 -5.827 9.166 -6.899 1.00 0.00 C ATOM 0 H ALA A 45 -3.687 9.680 -8.007 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.946 10.690 -5.686 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.640 8.964 -6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.164 9.879 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.528 8.238 -7.386 1.00 0.00 H new ATOM 544 N ALA A 46 -3.323 7.871 -5.361 1.00 0.00 N ATOM 545 CA ALA A 46 -2.812 6.918 -4.385 1.00 0.00 C ATOM 546 C ALA A 46 -2.020 7.622 -3.290 1.00 0.00 C ATOM 547 O ALA A 46 -2.165 7.311 -2.107 1.00 0.00 O ATOM 548 CB ALA A 46 -1.952 5.866 -5.071 1.00 0.00 C ATOM 0 H ALA A 46 -2.947 7.753 -6.302 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.664 6.424 -3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.578 5.161 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.550 5.332 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.111 6.351 -5.568 1.00 0.00 H new ATOM 554 N VAL A 47 -1.182 8.571 -3.690 1.00 0.00 N ATOM 555 CA VAL A 47 -0.366 9.323 -2.744 1.00 0.00 C ATOM 556 C VAL A 47 -1.229 10.207 -1.853 1.00 0.00 C ATOM 557 O VAL A 47 -1.046 10.245 -0.636 1.00 0.00 O ATOM 558 CB VAL A 47 0.675 10.199 -3.465 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.320 11.171 -2.490 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.734 9.331 -4.129 1.00 0.00 C ATOM 0 H VAL A 47 -1.050 8.839 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 47 0.155 8.590 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 47 0.165 10.773 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.053 11.782 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.554 11.815 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.816 10.614 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.461 9.967 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.240 8.731 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.261 8.673 -4.857 1.00 0.00 H new ATOM 570 N VAL A 48 -2.171 10.916 -2.466 1.00 0.00 N ATOM 571 CA VAL A 48 -3.036 11.835 -1.735 1.00 0.00 C ATOM 572 C VAL A 48 -3.912 11.090 -0.737 1.00 0.00 C ATOM 573 O VAL A 48 -4.078 11.524 0.403 1.00 0.00 O ATOM 574 CB VAL A 48 -3.935 12.643 -2.690 1.00 0.00 C ATOM 575 CG1 VAL A 48 -4.983 13.418 -1.904 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.098 13.591 -3.536 1.00 0.00 C ATOM 0 H VAL A 48 -2.355 10.872 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.383 12.522 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.445 11.946 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.610 13.984 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.602 12.722 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.488 14.104 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.750 14.154 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.562 14.282 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.382 13.017 -4.125 1.00 0.00 H new ATOM 586 N LYS A 49 -4.472 9.965 -1.171 1.00 0.00 N ATOM 587 CA LYS A 49 -5.311 9.144 -0.309 1.00 0.00 C ATOM 588 C LYS A 49 -4.489 8.474 0.785 1.00 0.00 C ATOM 589 O LYS A 49 -4.956 8.308 1.912 1.00 0.00 O ATOM 590 CB LYS A 49 -6.054 8.088 -1.130 1.00 0.00 C ATOM 591 CG LYS A 49 -7.159 8.645 -2.018 1.00 0.00 C ATOM 592 CD LYS A 49 -7.826 7.543 -2.828 1.00 0.00 C ATOM 593 CE LYS A 49 -8.914 8.101 -3.732 1.00 0.00 C ATOM 594 NZ LYS A 49 -9.580 7.033 -4.526 1.00 0.00 N ATOM 0 H LYS A 49 -4.359 9.602 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.041 9.800 0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.335 7.559 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.486 7.354 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.904 9.148 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.744 9.394 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.078 7.029 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.256 6.802 -2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.657 8.620 -3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.481 8.839 -4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.315 7.456 -5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.876 6.554 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.016 6.342 -3.882 1.00 0.00 H new ATOM 608 N ALA A 50 -3.263 8.091 0.445 1.00 0.00 N ATOM 609 CA ALA A 50 -2.354 7.485 1.411 1.00 0.00 C ATOM 610 C ALA A 50 -1.915 8.495 2.463 1.00 0.00 C ATOM 611 O ALA A 50 -1.732 8.150 3.630 1.00 0.00 O ATOM 612 CB ALA A 50 -1.146 6.893 0.701 1.00 0.00 C ATOM 0 H ALA A 50 -2.876 8.190 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.888 6.683 1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.476 6.444 1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.476 6.130 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.619 7.680 0.162 1.00 0.00 H new ATOM 618 N LEU A 51 -1.746 9.744 2.043 1.00 0.00 N ATOM 619 CA LEU A 51 -1.411 10.824 2.964 1.00 0.00 C ATOM 620 C LEU A 51 -2.524 11.049 3.978 1.00 0.00 C ATOM 621 O LEU A 51 -2.268 11.199 5.173 1.00 0.00 O ATOM 622 CB LEU A 51 -1.127 12.115 2.185 1.00 0.00 C ATOM 623 CG LEU A 51 0.218 12.151 1.449 1.00 0.00 C ATOM 624 CD1 LEU A 51 0.244 13.315 0.467 1.00 0.00 C ATOM 625 CD2 LEU A 51 1.349 12.272 2.459 1.00 0.00 C ATOM 0 H LEU A 51 -1.836 10.034 1.069 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.513 10.536 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.925 12.265 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.166 12.955 2.879 1.00 0.00 H new ATOM 0 HG LEU A 51 0.349 11.227 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.203 13.333 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.559 13.196 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.107 14.251 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.304 12.297 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.226 13.190 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.328 11.416 3.133 1.00 0.00 H new ATOM 637 N ASP A 52 -3.762 11.073 3.495 1.00 0.00 N ATOM 638 CA ASP A 52 -4.922 11.219 4.366 1.00 0.00 C ATOM 639 C ASP A 52 -5.136 9.972 5.213 1.00 0.00 C ATOM 640 O ASP A 52 -5.612 10.052 6.345 1.00 0.00 O ATOM 641 CB ASP A 52 -6.177 11.518 3.543 1.00 0.00 C ATOM 642 CG ASP A 52 -6.236 12.930 2.976 1.00 0.00 C ATOM 643 OD1 ASP A 52 -5.466 13.755 3.407 1.00 0.00 O ATOM 644 OD2 ASP A 52 -6.938 13.133 2.014 1.00 0.00 O ATOM 0 H ASP A 52 -3.988 10.993 2.503 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.731 12.057 5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.235 10.806 2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.054 11.354 4.168 1.00 0.00 H new ATOM 649 N GLN A 53 -4.783 8.818 4.658 1.00 0.00 N ATOM 650 CA GLN A 53 -4.866 7.558 5.387 1.00 0.00 C ATOM 651 C GLN A 53 -3.903 7.540 6.567 1.00 0.00 C ATOM 652 O GLN A 53 -4.265 7.131 7.670 1.00 0.00 O ATOM 653 CB GLN A 53 -4.566 6.379 4.458 1.00 0.00 C ATOM 654 CG GLN A 53 -4.648 5.020 5.132 1.00 0.00 C ATOM 655 CD GLN A 53 -6.042 4.710 5.643 1.00 0.00 C ATOM 656 OE1 GLN A 53 -7.042 5.107 5.039 1.00 0.00 O ATOM 657 NE2 GLN A 53 -6.116 4.002 6.765 1.00 0.00 N ATOM 0 H GLN A 53 -4.436 8.729 3.703 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.883 7.464 5.769 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.266 6.401 3.623 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.567 6.505 4.040 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.343 4.248 4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.944 4.987 5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.262 3.694 7.231 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.026 3.766 7.160 1.00 0.00 H new ATOM 666 N LEU A 54 -2.675 7.989 6.329 1.00 0.00 N ATOM 667 CA LEU A 54 -1.665 8.052 7.379 1.00 0.00 C ATOM 668 C LEU A 54 -2.065 9.035 8.471 1.00 0.00 C ATOM 669 O LEU A 54 -1.918 8.752 9.659 1.00 0.00 O ATOM 670 CB LEU A 54 -0.305 8.439 6.784 1.00 0.00 C ATOM 671 CG LEU A 54 0.355 7.365 5.909 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.543 7.957 5.163 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.791 6.197 6.781 1.00 0.00 C ATOM 0 H LEU A 54 -2.355 8.315 5.417 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.585 7.063 7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.431 9.343 6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.373 8.687 7.600 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.363 7.003 5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.005 7.187 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.203 8.776 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.273 8.332 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.260 5.434 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.505 6.546 7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.079 5.773 7.282 1.00 0.00 H new ATOM 685 N ALA A 55 -2.573 10.192 8.060 1.00 0.00 N ATOM 686 CA ALA A 55 -3.014 11.214 9.003 1.00 0.00 C ATOM 687 C ALA A 55 -4.204 10.731 9.821 1.00 0.00 C ATOM 688 O ALA A 55 -4.332 11.059 11.000 1.00 0.00 O ATOM 689 CB ALA A 55 -3.359 12.500 8.267 1.00 0.00 C ATOM 0 H ALA A 55 -2.690 10.446 7.079 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.194 11.414 9.692 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.686 13.253 8.984 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.479 12.863 7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.159 12.307 7.553 1.00 0.00 H new ATOM 695 N GLN A 56 -5.072 9.949 9.189 1.00 0.00 N ATOM 696 CA GLN A 56 -6.218 9.365 9.875 1.00 0.00 C ATOM 697 C GLN A 56 -5.777 8.333 10.905 1.00 0.00 C ATOM 698 O GLN A 56 -6.370 8.221 11.978 1.00 0.00 O ATOM 699 CB GLN A 56 -7.171 8.714 8.869 1.00 0.00 C ATOM 700 CG GLN A 56 -8.453 8.176 9.482 1.00 0.00 C ATOM 701 CD GLN A 56 -9.297 9.271 10.108 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.501 10.334 9.515 1.00 0.00 O ATOM 703 NE2 GLN A 56 -9.791 9.018 11.315 1.00 0.00 N ATOM 0 H GLN A 56 -5.003 9.705 8.201 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.738 10.171 10.393 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.427 9.446 8.103 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.650 7.897 8.369 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.035 7.667 8.713 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.206 7.433 10.240 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.597 8.125 11.769 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.364 9.717 11.788 1.00 0.00 H new ATOM 712 N GLU A 57 -4.732 7.583 10.574 1.00 0.00 N ATOM 713 CA GLU A 57 -4.191 6.579 11.481 1.00 0.00 C ATOM 714 C GLU A 57 -3.354 7.224 12.580 1.00 0.00 C ATOM 715 O GLU A 57 -3.153 6.639 13.644 1.00 0.00 O ATOM 716 CB GLU A 57 -3.350 5.558 10.712 1.00 0.00 C ATOM 717 CG GLU A 57 -4.151 4.659 9.781 1.00 0.00 C ATOM 718 CD GLU A 57 -3.249 3.787 8.954 1.00 0.00 C ATOM 719 OE1 GLU A 57 -2.068 3.777 9.207 1.00 0.00 O ATOM 720 OE2 GLU A 57 -3.752 3.044 8.143 1.00 0.00 O ATOM 0 H GLU A 57 -4.242 7.652 9.682 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.031 6.065 11.948 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.600 6.090 10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.814 4.934 11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.826 4.035 10.367 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.770 5.271 9.125 1.00 0.00 H new ATOM 727 N GLY A 58 -2.869 8.432 12.314 1.00 0.00 N ATOM 728 CA GLY A 58 -2.101 9.183 13.300 1.00 0.00 C ATOM 729 C GLY A 58 -0.607 8.930 13.145 1.00 0.00 C ATOM 730 O GLY A 58 0.163 9.095 14.091 1.00 0.00 O ATOM 0 H GLY A 58 -2.994 8.912 11.423 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.305 10.248 13.189 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.418 8.900 14.304 1.00 0.00 H new ATOM 734 N LYS A 59 -0.201 8.528 11.944 1.00 0.00 N ATOM 735 CA LYS A 59 1.206 8.289 11.650 1.00 0.00 C ATOM 736 C LYS A 59 1.910 9.577 11.244 1.00 0.00 C ATOM 737 O LYS A 59 3.083 9.780 11.559 1.00 0.00 O ATOM 738 CB LYS A 59 1.353 7.239 10.549 1.00 0.00 C ATOM 739 CG LYS A 59 0.884 5.844 10.942 1.00 0.00 C ATOM 740 CD LYS A 59 1.756 5.256 12.041 1.00 0.00 C ATOM 741 CE LYS A 59 1.294 3.860 12.428 1.00 0.00 C ATOM 742 NZ LYS A 59 2.130 3.278 13.513 1.00 0.00 N ATOM 0 H LYS A 59 -0.829 8.361 11.158 1.00 0.00 H new ATOM 0 HA LYS A 59 1.677 7.915 12.559 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.789 7.566 9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.400 7.186 10.252 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.151 5.888 11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.906 5.191 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.792 5.218 11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.729 5.906 12.916 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.254 3.899 12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.331 3.210 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.782 2.326 13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.118 3.217 13.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.075 3.884 14.357 1.00 0.00 H new ATOM 756 N ILE A 60 1.189 10.444 10.543 1.00 0.00 N ATOM 757 CA ILE A 60 1.733 11.728 10.117 1.00 0.00 C ATOM 758 C ILE A 60 0.798 12.873 10.484 1.00 0.00 C ATOM 759 O ILE A 60 -0.371 12.653 10.803 1.00 0.00 O ATOM 760 CB ILE A 60 1.995 11.757 8.601 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.674 11.677 7.831 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.918 10.618 8.198 1.00 0.00 C ATOM 763 CD1 ILE A 60 0.830 11.824 6.334 1.00 0.00 C ATOM 0 H ILE A 60 0.224 10.281 10.257 1.00 0.00 H new ATOM 0 HA ILE A 60 2.680 11.856 10.641 1.00 0.00 H new ATOM 0 HB ILE A 60 2.484 12.699 8.352 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.197 10.721 8.045 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.004 12.456 8.195 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.092 10.654 7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.868 10.716 8.723 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.456 9.666 8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.148 11.757 5.858 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.278 12.792 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.473 11.030 5.955 1.00 0.00 H new ATOM 775 N LYS A 61 1.318 14.094 10.437 1.00 0.00 N ATOM 776 CA LYS A 61 0.504 15.282 10.664 1.00 0.00 C ATOM 777 C LYS A 61 0.328 16.082 9.380 1.00 0.00 C ATOM 778 O LYS A 61 1.099 15.932 8.433 1.00 0.00 O ATOM 779 CB LYS A 61 1.130 16.161 11.749 1.00 0.00 C ATOM 780 CG LYS A 61 1.121 15.544 13.142 1.00 0.00 C ATOM 781 CD LYS A 61 1.821 16.443 14.149 1.00 0.00 C ATOM 782 CE LYS A 61 1.686 15.899 15.565 1.00 0.00 C ATOM 783 NZ LYS A 61 2.517 16.662 16.536 1.00 0.00 N ATOM 0 H LYS A 61 2.301 14.287 10.244 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.480 14.953 10.999 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.160 16.383 11.470 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.597 17.111 11.782 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.092 15.371 13.459 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.614 14.572 13.115 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.876 16.530 13.890 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.397 17.446 14.101 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.641 15.940 15.871 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.982 14.850 15.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.332 16.315 17.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.524 16.533 16.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.277 17.672 16.480 1.00 0.00 H new ATOM 797 N GLU A 62 -0.692 16.933 9.354 1.00 0.00 N ATOM 798 CA GLU A 62 -1.042 17.675 8.150 1.00 0.00 C ATOM 799 C GLU A 62 -1.362 19.129 8.471 1.00 0.00 C ATOM 800 O GLU A 62 -1.933 19.432 9.518 1.00 0.00 O ATOM 801 CB GLU A 62 -2.229 17.019 7.441 1.00 0.00 C ATOM 802 CG GLU A 62 -3.536 17.080 8.219 1.00 0.00 C ATOM 803 CD GLU A 62 -4.661 16.448 7.446 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.414 15.949 6.374 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.744 16.365 7.975 1.00 0.00 O ATOM 0 H GLU A 62 -1.292 17.126 10.156 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.178 17.656 7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.372 17.503 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.987 15.975 7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.417 16.570 9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.782 18.119 8.440 1.00 0.00 H new ATOM 812 N LYS A 63 -0.992 20.025 7.562 1.00 0.00 N ATOM 813 CA LYS A 63 -1.371 21.430 7.674 1.00 0.00 C ATOM 814 C LYS A 63 -1.744 22.008 6.315 1.00 0.00 C ATOM 815 O LYS A 63 -1.103 21.713 5.306 1.00 0.00 O ATOM 816 CB LYS A 63 -0.236 22.243 8.299 1.00 0.00 C ATOM 817 CG LYS A 63 0.020 21.940 9.768 1.00 0.00 C ATOM 818 CD LYS A 63 1.084 22.861 10.347 1.00 0.00 C ATOM 819 CE LYS A 63 1.339 22.560 11.816 1.00 0.00 C ATOM 820 NZ LYS A 63 2.391 23.442 12.390 1.00 0.00 N ATOM 0 H LYS A 63 -0.430 19.804 6.740 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.246 21.490 8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.680 22.057 7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.465 23.304 8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.906 22.052 10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.336 20.903 9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.011 22.747 9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.769 23.899 10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.414 22.686 12.378 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.639 21.518 11.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.534 23.204 13.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.281 23.304 11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.094 24.435 12.309 1.00 0.00 H new ATOM 834 N THR A 64 -2.784 22.835 6.295 1.00 0.00 N ATOM 835 CA THR A 64 -3.246 23.455 5.059 1.00 0.00 C ATOM 836 C THR A 64 -2.626 24.833 4.868 1.00 0.00 C ATOM 837 O THR A 64 -2.805 25.725 5.697 1.00 0.00 O ATOM 838 CB THR A 64 -4.781 23.585 5.032 1.00 0.00 C ATOM 839 OG1 THR A 64 -5.375 22.285 5.139 1.00 0.00 O ATOM 840 CG2 THR A 64 -5.237 24.242 3.738 1.00 0.00 C ATOM 0 H THR A 64 -3.323 23.091 7.122 1.00 0.00 H new ATOM 0 HA THR A 64 -2.931 22.803 4.244 1.00 0.00 H new ATOM 0 HB THR A 64 -5.094 24.205 5.872 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.351 22.369 5.123 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.324 24.326 3.736 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.796 25.236 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.918 23.636 2.890 1.00 0.00 H new ATOM 848 N TYR A 65 -1.895 25.001 3.772 1.00 0.00 N ATOM 849 CA TYR A 65 -1.262 26.277 3.461 1.00 0.00 C ATOM 850 C TYR A 65 -1.849 26.890 2.196 1.00 0.00 C ATOM 851 O TYR A 65 -1.420 26.575 1.085 1.00 0.00 O ATOM 852 CB TYR A 65 0.250 26.100 3.306 1.00 0.00 C ATOM 853 CG TYR A 65 0.949 25.660 4.574 1.00 0.00 C ATOM 854 CD1 TYR A 65 1.089 24.315 4.880 1.00 0.00 C ATOM 855 CD2 TYR A 65 1.469 26.592 5.459 1.00 0.00 C ATOM 856 CE1 TYR A 65 1.725 23.907 6.036 1.00 0.00 C ATOM 857 CE2 TYR A 65 2.109 26.197 6.617 1.00 0.00 C ATOM 858 CZ TYR A 65 2.235 24.852 6.903 1.00 0.00 C ATOM 859 OH TYR A 65 2.871 24.454 8.055 1.00 0.00 O ATOM 0 H TYR A 65 -1.726 24.268 3.083 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.457 26.957 4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.442 25.366 2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.684 27.042 2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.694 23.573 4.202 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.372 27.645 5.239 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.823 22.855 6.260 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.509 26.936 7.295 1.00 0.00 H new ATOM 0 HH TYR A 65 3.171 25.243 8.552 1.00 0.00 H new ATOM 869 N GLY A 66 -2.832 27.766 2.371 1.00 0.00 N ATOM 870 CA GLY A 66 -3.526 28.374 1.240 1.00 0.00 C ATOM 871 C GLY A 66 -4.488 27.387 0.590 1.00 0.00 C ATOM 872 O GLY A 66 -5.480 26.982 1.197 1.00 0.00 O ATOM 0 H GLY A 66 -3.167 28.072 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.075 29.253 1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.798 28.715 0.504 1.00 0.00 H new ATOM 876 N LYS A 67 -4.188 27.005 -0.646 1.00 0.00 N ATOM 877 CA LYS A 67 -4.992 26.019 -1.359 1.00 0.00 C ATOM 878 C LYS A 67 -4.279 24.675 -1.431 1.00 0.00 C ATOM 879 O LYS A 67 -4.809 23.710 -1.983 1.00 0.00 O ATOM 880 CB LYS A 67 -5.324 26.516 -2.767 1.00 0.00 C ATOM 881 CG LYS A 67 -6.197 27.762 -2.806 1.00 0.00 C ATOM 882 CD LYS A 67 -6.522 28.167 -4.236 1.00 0.00 C ATOM 883 CE LYS A 67 -7.351 29.441 -4.276 1.00 0.00 C ATOM 884 NZ LYS A 67 -7.662 29.860 -5.670 1.00 0.00 N ATOM 0 H LYS A 67 -3.393 27.363 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.921 25.882 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.393 26.723 -3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.828 25.717 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.122 27.578 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.686 28.582 -2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.597 28.315 -4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.066 27.361 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.280 29.286 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.811 30.241 -3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.228 30.732 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.776 30.033 -6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.199 29.108 -6.147 1.00 0.00 H new ATOM 898 N GLN A 68 -3.076 24.618 -0.872 1.00 0.00 N ATOM 899 CA GLN A 68 -2.279 23.398 -0.891 1.00 0.00 C ATOM 900 C GLN A 68 -2.179 22.783 0.500 1.00 0.00 C ATOM 901 O GLN A 68 -2.418 23.454 1.504 1.00 0.00 O ATOM 902 CB GLN A 68 -0.874 23.683 -1.431 1.00 0.00 C ATOM 903 CG GLN A 68 -0.856 24.300 -2.819 1.00 0.00 C ATOM 904 CD GLN A 68 -1.442 23.376 -3.871 1.00 0.00 C ATOM 905 OE1 GLN A 68 -1.082 22.200 -3.954 1.00 0.00 O ATOM 906 NE2 GLN A 68 -2.348 23.908 -4.684 1.00 0.00 N ATOM 0 H GLN A 68 -2.631 25.404 -0.399 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.779 22.687 -1.549 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.360 24.352 -0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.309 22.751 -1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.418 25.234 -2.806 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.170 24.549 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.616 24.887 -4.579 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.776 23.338 -5.414 1.00 0.00 H new ATOM 915 N LYS A 69 -1.825 21.504 0.551 1.00 0.00 N ATOM 916 CA LYS A 69 -1.646 20.809 1.821 1.00 0.00 C ATOM 917 C LYS A 69 -0.227 20.271 1.959 1.00 0.00 C ATOM 918 O LYS A 69 0.370 19.810 0.986 1.00 0.00 O ATOM 919 CB LYS A 69 -2.655 19.668 1.954 1.00 0.00 C ATOM 920 CG LYS A 69 -4.105 20.122 2.074 1.00 0.00 C ATOM 921 CD LYS A 69 -5.042 18.937 2.251 1.00 0.00 C ATOM 922 CE LYS A 69 -6.490 19.389 2.370 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.420 18.240 2.541 1.00 0.00 N ATOM 0 H LYS A 69 -1.656 20.927 -0.273 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.818 21.529 2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.562 19.014 1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.399 19.073 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.207 20.799 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.388 20.682 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.939 18.260 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.759 18.377 3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.590 20.066 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.769 19.952 1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.396 18.592 2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.344 17.607 1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.171 17.718 3.405 1.00 0.00 H new ATOM 937 N ILE A 70 0.308 20.332 3.173 1.00 0.00 N ATOM 938 CA ILE A 70 1.655 19.846 3.443 1.00 0.00 C ATOM 939 C ILE A 70 1.657 18.825 4.573 1.00 0.00 C ATOM 940 O ILE A 70 1.026 19.031 5.610 1.00 0.00 O ATOM 941 CB ILE A 70 2.611 20.998 3.804 1.00 0.00 C ATOM 942 CG1 ILE A 70 2.777 21.947 2.613 1.00 0.00 C ATOM 943 CG2 ILE A 70 3.961 20.452 4.244 1.00 0.00 C ATOM 944 CD1 ILE A 70 3.720 23.098 2.876 1.00 0.00 C ATOM 0 H ILE A 70 -0.172 20.714 3.988 1.00 0.00 H new ATOM 0 HA ILE A 70 2.005 19.370 2.527 1.00 0.00 H new ATOM 0 HB ILE A 70 2.180 21.558 4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.141 21.380 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.800 22.345 2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.624 21.280 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.828 19.815 5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.399 19.869 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.785 23.725 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.347 23.690 3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.709 22.710 3.120 1.00 0.00 H new ATOM 956 N TYR A 71 2.370 17.722 4.367 1.00 0.00 N ATOM 957 CA TYR A 71 2.372 16.621 5.323 1.00 0.00 C ATOM 958 C TYR A 71 3.773 16.363 5.862 1.00 0.00 C ATOM 959 O TYR A 71 4.767 16.612 5.180 1.00 0.00 O ATOM 960 CB TYR A 71 1.816 15.350 4.677 1.00 0.00 C ATOM 961 CG TYR A 71 0.382 15.476 4.215 1.00 0.00 C ATOM 962 CD1 TYR A 71 0.070 16.109 3.020 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.658 14.957 4.973 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.238 16.226 2.594 1.00 0.00 C ATOM 965 CE2 TYR A 71 -1.970 15.067 4.556 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.256 15.702 3.364 1.00 0.00 C ATOM 967 OH TYR A 71 -3.562 15.814 2.944 1.00 0.00 O ATOM 0 H TYR A 71 2.954 17.567 3.545 1.00 0.00 H new ATOM 0 HA TYR A 71 1.731 16.904 6.158 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.440 15.084 3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.887 14.530 5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.864 16.517 2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.438 14.458 5.905 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.463 16.725 1.663 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.768 14.659 5.159 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.057 15.006 3.195 1.00 0.00 H new ATOM 977 N PHE A 72 3.846 15.864 7.091 1.00 0.00 N ATOM 978 CA PHE A 72 5.119 15.474 7.685 1.00 0.00 C ATOM 979 C PHE A 72 4.922 14.416 8.764 1.00 0.00 C ATOM 980 O PHE A 72 3.890 14.383 9.432 1.00 0.00 O ATOM 981 CB PHE A 72 5.832 16.694 8.269 1.00 0.00 C ATOM 982 CG PHE A 72 5.063 17.380 9.363 1.00 0.00 C ATOM 983 CD1 PHE A 72 4.118 18.350 9.063 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.283 17.056 10.693 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.411 18.982 10.066 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.575 17.687 11.699 1.00 0.00 C ATOM 987 CZ PHE A 72 3.639 18.650 11.386 1.00 0.00 C ATOM 0 H PHE A 72 3.037 15.720 7.696 1.00 0.00 H new ATOM 0 HA PHE A 72 5.738 15.045 6.897 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.802 16.384 8.658 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.023 17.409 7.469 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.933 18.614 8.032 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.015 16.303 10.946 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.679 19.736 9.818 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.755 17.425 12.731 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.086 19.143 12.172 1.00 0.00 H new ATOM 997 N ALA A 73 5.919 13.554 8.928 1.00 0.00 N ATOM 998 CA ALA A 73 5.826 12.445 9.871 1.00 0.00 C ATOM 999 C ALA A 73 5.984 12.928 11.307 1.00 0.00 C ATOM 1000 O ALA A 73 6.746 13.857 11.579 1.00 0.00 O ATOM 1001 CB ALA A 73 6.868 11.384 9.546 1.00 0.00 C ATOM 0 H ALA A 73 6.802 13.602 8.420 1.00 0.00 H new ATOM 0 HA ALA A 73 4.835 12.002 9.775 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.786 10.563 10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.701 11.007 8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.864 11.821 9.609 1.00 0.00 H new ATOM 1007 N ASP A 74 5.263 12.292 12.224 1.00 0.00 N ATOM 1008 CA ASP A 74 5.321 12.657 13.634 1.00 0.00 C ATOM 1009 C ASP A 74 4.435 11.748 14.475 1.00 0.00 C ATOM 1010 O ASP A 74 4.823 10.657 14.792 1.00 0.00 O ATOM 1011 CB ASP A 74 4.907 14.119 13.826 1.00 0.00 C ATOM 1012 CG ASP A 74 5.191 14.675 15.215 1.00 0.00 C ATOM 1013 OD1 ASP A 74 5.733 13.957 16.022 1.00 0.00 O ATOM 1014 OD2 ASP A 74 5.011 15.853 15.408 1.00 0.00 O ATOM 0 H ASP A 74 4.630 11.520 12.015 1.00 0.00 H new ATOM 0 HA ASP A 74 6.351 12.533 13.968 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.427 14.731 13.089 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.840 14.212 13.622 1.00 0.00 H new TER 1019 ASP A 74