USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 816 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 30 GLN : amide:sc= -2.11 K(o=-7.1,f=-13!) USER MOD Set 1.2: A 32 ASN : amide:sc= -3.06! K(o=-7.1!,f=-9.4) USER MOD Set 1.3: A 41 GLN : amide:sc= -1.97 K(o=-7.1,f=-15!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0794 USER MOD Single : A 5 THR OG1 : rot 101:sc= 0.0796 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.834 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0416 X(o=-0.042,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 147:sc= -0.117 (180deg=-0.81) USER MOD Single : A 53 GLN : amide:sc= -0.642 K(o=-0.64,f=0) USER MOD Single : A 58 SER OG : rot -66:sc= 0.56 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0079 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 70 MET CE :methyl -177:sc= -0.847 (180deg=-0.898) USER MOD Single : A 74 SER OG : rot 110:sc= -0.667 USER MOD Single : A 76 LYS NZ :NH3+ -166:sc= -0.0418 (180deg=-0.253) USER MOD Single : A 77 THR OG1 : rot -39:sc= 1.12 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 74:sc= 1.24 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 3.524 -2.025 -0.063 1.00 23.13 N ATOM 19 CA SER A 2 4.427 -3.166 0.031 1.00 70.22 C ATOM 20 C SER A 2 4.066 -4.230 -1.001 1.00 60.42 C ATOM 21 O SER A 2 3.218 -4.011 -1.866 1.00 33.03 O ATOM 22 CB SER A 2 4.381 -3.767 1.437 1.00 14.01 C ATOM 23 OG SER A 2 5.584 -4.450 1.741 1.00 44.23 O ATOM 0 HA SER A 2 5.439 -2.815 -0.172 1.00 70.22 H new ATOM 0 HB2 SER A 2 4.214 -2.976 2.168 1.00 14.01 H new ATOM 0 HB3 SER A 2 3.539 -4.455 1.514 1.00 14.01 H new ATOM 0 HG SER A 2 5.529 -4.823 2.646 1.00 44.23 H new ATOM 29 N VAL A 3 4.716 -5.386 -0.903 1.00 5.10 N ATOM 30 CA VAL A 3 4.464 -6.486 -1.826 1.00 74.43 C ATOM 31 C VAL A 3 2.972 -6.777 -1.940 1.00 53.33 C ATOM 32 O VAL A 3 2.498 -7.241 -2.977 1.00 14.34 O ATOM 33 CB VAL A 3 5.193 -7.769 -1.384 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.422 -8.464 -0.271 1.00 62.02 C ATOM 35 CG2 VAL A 3 5.395 -8.701 -2.568 1.00 71.40 C ATOM 0 H VAL A 3 5.421 -5.585 -0.193 1.00 5.10 H new ATOM 0 HA VAL A 3 4.847 -6.176 -2.798 1.00 74.43 H new ATOM 0 HB VAL A 3 6.174 -7.495 -0.997 1.00 11.31 H new ATOM 0 HG11 VAL A 3 4.952 -9.368 0.029 1.00 62.02 H new ATOM 0 HG12 VAL A 3 4.335 -7.794 0.584 1.00 62.02 H new ATOM 0 HG13 VAL A 3 3.427 -8.728 -0.628 1.00 62.02 H new ATOM 0 HG21 VAL A 3 5.911 -9.602 -2.238 1.00 71.40 H new ATOM 0 HG22 VAL A 3 4.426 -8.971 -2.988 1.00 71.40 H new ATOM 0 HG23 VAL A 3 5.993 -8.199 -3.329 1.00 71.40 H new ATOM 45 N GLU A 4 2.236 -6.499 -0.867 1.00 43.03 N ATOM 46 CA GLU A 4 0.797 -6.731 -0.848 1.00 11.43 C ATOM 47 C GLU A 4 0.099 -5.911 -1.929 1.00 22.33 C ATOM 48 O GLU A 4 -0.873 -6.361 -2.537 1.00 35.51 O ATOM 49 CB GLU A 4 0.220 -6.380 0.525 1.00 73.40 C ATOM 50 CG GLU A 4 0.431 -4.928 0.921 1.00 34.13 C ATOM 51 CD GLU A 4 0.186 -4.685 2.398 1.00 73.21 C ATOM 52 OE1 GLU A 4 0.153 -5.672 3.164 1.00 60.22 O ATOM 53 OE2 GLU A 4 0.028 -3.510 2.788 1.00 42.52 O1- ATOM 0 H GLU A 4 2.613 -6.113 -0.001 1.00 43.03 H new ATOM 0 HA GLU A 4 0.623 -7.788 -1.049 1.00 11.43 H new ATOM 0 HB2 GLU A 4 -0.848 -6.597 0.527 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.677 -7.023 1.277 1.00 73.40 H new ATOM 0 HG2 GLU A 4 1.450 -4.632 0.672 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -0.237 -4.295 0.337 1.00 34.13 H new ATOM 60 N THR A 5 0.602 -4.703 -2.164 1.00 74.04 N ATOM 61 CA THR A 5 0.026 -3.818 -3.170 1.00 61.14 C ATOM 62 C THR A 5 0.515 -4.183 -4.567 1.00 11.11 C ATOM 63 O THR A 5 -0.196 -3.992 -5.554 1.00 53.10 O ATOM 64 CB THR A 5 0.371 -2.344 -2.886 1.00 23.45 C ATOM 65 OG1 THR A 5 0.472 -2.128 -1.473 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.683 -1.418 -3.472 1.00 71.31 C ATOM 0 H THR A 5 1.407 -4.315 -1.672 1.00 74.04 H new ATOM 0 HA THR A 5 -1.055 -3.945 -3.121 1.00 61.14 H new ATOM 0 HB THR A 5 1.328 -2.121 -3.357 1.00 23.45 H new ATOM 0 HG1 THR A 5 1.416 -2.109 -1.212 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.417 -0.383 -3.258 1.00 71.31 H new ATOM 0 HG22 THR A 5 -0.736 -1.564 -4.551 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.653 -1.643 -3.027 1.00 71.31 H new ATOM 74 N ILE A 6 1.733 -4.710 -4.644 1.00 14.44 N ATOM 75 CA ILE A 6 2.316 -5.102 -5.921 1.00 13.03 C ATOM 76 C ILE A 6 1.657 -6.367 -6.459 1.00 73.35 C ATOM 77 O ILE A 6 1.223 -6.410 -7.612 1.00 33.51 O ATOM 78 CB ILE A 6 3.832 -5.341 -5.798 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.461 -4.294 -4.876 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.487 -5.306 -7.171 1.00 42.51 C ATOM 81 CD1 ILE A 6 4.101 -2.871 -5.242 1.00 64.21 C ATOM 0 H ILE A 6 2.335 -4.875 -3.837 1.00 14.44 H new ATOM 0 HA ILE A 6 2.141 -4.279 -6.614 1.00 13.03 H new ATOM 0 HB ILE A 6 3.996 -6.327 -5.364 1.00 41.41 H new ATOM 0 HG12 ILE A 6 4.145 -4.488 -3.851 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.545 -4.404 -4.902 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.559 -5.477 -7.067 1.00 42.51 H new ATOM 0 HG22 ILE A 6 4.055 -6.084 -7.800 1.00 42.51 H new ATOM 0 HG23 ILE A 6 4.317 -4.332 -7.630 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.582 -2.184 -4.546 1.00 64.21 H new ATOM 0 HD12 ILE A 6 4.442 -2.659 -6.255 1.00 64.21 H new ATOM 0 HD13 ILE A 6 3.020 -2.744 -5.189 1.00 64.21 H new ATOM 93 N ILE A 7 1.583 -7.394 -5.620 1.00 51.41 N ATOM 94 CA ILE A 7 0.974 -8.659 -6.011 1.00 0.02 C ATOM 95 C ILE A 7 -0.526 -8.501 -6.235 1.00 53.31 C ATOM 96 O ILE A 7 -1.101 -9.130 -7.122 1.00 54.10 O ATOM 97 CB ILE A 7 1.212 -9.750 -4.951 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.699 -10.099 -4.870 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.388 -10.989 -5.271 1.00 54.25 C ATOM 100 CD1 ILE A 7 3.254 -10.678 -6.154 1.00 52.51 C ATOM 0 H ILE A 7 1.938 -7.375 -4.664 1.00 51.41 H new ATOM 0 HA ILE A 7 1.448 -8.962 -6.945 1.00 0.02 H new ATOM 0 HB ILE A 7 0.895 -9.367 -3.981 1.00 13.24 H new ATOM 0 HG12 ILE A 7 3.261 -9.201 -4.613 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.853 -10.814 -4.062 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.567 -11.751 -4.513 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.671 -10.729 -5.281 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.676 -11.375 -6.249 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.313 -10.902 -6.024 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.717 -11.594 -6.402 1.00 52.51 H new ATOM 0 HD13 ILE A 7 3.132 -9.956 -6.961 1.00 52.51 H new ATOM 112 N GLU A 8 -1.153 -7.653 -5.425 1.00 35.43 N ATOM 113 CA GLU A 8 -2.587 -7.412 -5.534 1.00 71.25 C ATOM 114 C GLU A 8 -2.969 -7.049 -6.967 1.00 71.52 C ATOM 115 O GLU A 8 -4.011 -7.471 -7.469 1.00 32.54 O ATOM 116 CB GLU A 8 -3.013 -6.292 -4.583 1.00 71.25 C ATOM 117 CG GLU A 8 -3.638 -6.795 -3.293 1.00 15.12 C ATOM 118 CD GLU A 8 -5.106 -7.141 -3.453 1.00 1.01 C ATOM 119 OE1 GLU A 8 -5.809 -7.228 -2.424 1.00 75.25 O ATOM 120 OE2 GLU A 8 -5.551 -7.325 -4.605 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.691 -7.122 -4.687 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.106 -8.330 -5.258 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.143 -5.681 -4.342 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -3.725 -5.644 -5.094 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.096 -7.676 -2.950 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.530 -6.034 -2.520 1.00 15.12 H new ATOM 127 N ARG A 9 -2.117 -6.265 -7.620 1.00 14.15 N ATOM 128 CA ARG A 9 -2.366 -5.844 -8.994 1.00 33.34 C ATOM 129 C ARG A 9 -2.077 -6.980 -9.971 1.00 22.34 C ATOM 130 O ARG A 9 -2.726 -7.097 -11.010 1.00 52.23 O ATOM 131 CB ARG A 9 -1.506 -4.628 -9.340 1.00 41.22 C ATOM 132 CG ARG A 9 -2.312 -3.423 -9.799 1.00 63.41 C ATOM 133 CD ARG A 9 -2.219 -2.279 -8.802 1.00 44.44 C ATOM 134 NE ARG A 9 -3.452 -1.498 -8.748 1.00 1.20 N ATOM 135 CZ ARG A 9 -3.802 -0.612 -9.673 1.00 43.43 C ATOM 136 NH1 ARG A 9 -3.016 -0.394 -10.719 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -4.940 0.059 -9.553 1.00 51.24 N ATOM 0 H ARG A 9 -1.249 -5.909 -7.220 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.418 -5.573 -9.080 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -0.917 -4.349 -8.466 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -0.801 -4.903 -10.124 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -1.949 -3.090 -10.771 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -3.355 -3.710 -9.929 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -1.999 -2.678 -7.812 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -1.389 -1.627 -9.074 1.00 44.44 H new ATOM 0 HE ARG A 9 -4.079 -1.641 -7.956 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -2.140 -0.908 -10.814 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -3.288 0.287 -11.428 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -5.547 -0.105 -8.750 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -5.208 0.739 -10.264 1.00 51.24 H new ATOM 151 N ILE A 10 -1.099 -7.813 -9.630 1.00 40.41 N ATOM 152 CA ILE A 10 -0.725 -8.938 -10.477 1.00 14.34 C ATOM 153 C ILE A 10 -1.837 -9.981 -10.527 1.00 62.03 C ATOM 154 O ILE A 10 -2.346 -10.309 -11.599 1.00 74.00 O ATOM 155 CB ILE A 10 0.570 -9.609 -9.982 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.769 -8.688 -10.219 1.00 24.51 C ATOM 157 CG2 ILE A 10 0.775 -10.945 -10.680 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.932 -8.958 -9.289 1.00 13.02 C ATOM 0 H ILE A 10 -0.552 -7.730 -8.773 1.00 40.41 H new ATOM 0 HA ILE A 10 -0.558 -8.539 -11.477 1.00 14.34 H new ATOM 0 HB ILE A 10 0.481 -9.791 -8.911 1.00 5.51 H new ATOM 0 HG12 ILE A 10 2.105 -8.800 -11.250 1.00 24.51 H new ATOM 0 HG13 ILE A 10 1.451 -7.652 -10.099 1.00 24.51 H new ATOM 0 HG21 ILE A 10 1.694 -11.407 -10.319 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.069 -11.601 -10.466 1.00 55.12 H new ATOM 0 HG23 ILE A 10 0.847 -10.786 -11.756 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.746 -8.269 -9.514 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.612 -8.817 -8.256 1.00 13.02 H new ATOM 0 HD13 ILE A 10 3.277 -9.983 -9.426 1.00 13.02 H new ATOM 170 N LYS A 11 -2.209 -10.498 -9.362 1.00 61.13 N ATOM 171 CA LYS A 11 -3.263 -11.502 -9.271 1.00 50.23 C ATOM 172 C LYS A 11 -4.534 -11.020 -9.964 1.00 62.52 C ATOM 173 O LYS A 11 -5.239 -11.803 -10.602 1.00 43.22 O ATOM 174 CB LYS A 11 -3.561 -11.827 -7.806 1.00 4.34 C ATOM 175 CG LYS A 11 -3.634 -10.600 -6.913 1.00 75.22 C ATOM 176 CD LYS A 11 -4.826 -10.666 -5.972 1.00 21.30 C ATOM 177 CE LYS A 11 -4.413 -11.124 -4.581 1.00 45.52 C ATOM 178 NZ LYS A 11 -5.360 -12.128 -4.024 1.00 13.21 N1+ ATOM 0 H LYS A 11 -1.796 -10.238 -8.466 1.00 61.13 H new ATOM 0 HA LYS A 11 -2.915 -12.405 -9.774 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -4.507 -12.365 -7.747 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -2.789 -12.497 -7.427 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -2.715 -10.516 -6.333 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -3.705 -9.704 -7.529 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.296 -9.684 -5.909 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -5.572 -11.351 -6.375 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -3.412 -11.553 -4.622 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -4.364 -10.263 -3.915 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -5.044 -12.415 -3.076 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -6.311 -11.711 -3.961 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -5.388 -12.961 -4.646 1.00 13.21 H new ATOM 192 N ALA A 12 -4.819 -9.729 -9.836 1.00 55.14 N ATOM 193 CA ALA A 12 -6.003 -9.143 -10.455 1.00 34.34 C ATOM 194 C ALA A 12 -6.005 -9.373 -11.962 1.00 55.24 C ATOM 195 O ALA A 12 -6.976 -9.886 -12.519 1.00 10.40 O ATOM 196 CB ALA A 12 -6.079 -7.656 -10.144 1.00 45.33 C ATOM 0 H ALA A 12 -4.247 -9.068 -9.310 1.00 55.14 H new ATOM 0 HA ALA A 12 -6.882 -9.635 -10.039 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -6.967 -7.231 -10.612 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.134 -7.512 -9.065 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.191 -7.157 -10.532 1.00 45.33 H new ATOM 202 N ARG A 13 -4.915 -8.990 -12.617 1.00 1.42 N ATOM 203 CA ARG A 13 -4.793 -9.152 -14.060 1.00 42.34 C ATOM 204 C ARG A 13 -4.760 -10.629 -14.440 1.00 75.41 C ATOM 205 O ARG A 13 -5.335 -11.033 -15.450 1.00 71.34 O ATOM 206 CB ARG A 13 -3.529 -8.455 -14.568 1.00 55.21 C ATOM 207 CG ARG A 13 -3.215 -8.751 -16.026 1.00 12.20 C ATOM 208 CD ARG A 13 -1.940 -9.565 -16.167 1.00 25.52 C ATOM 209 NE ARG A 13 -1.199 -9.220 -17.378 1.00 14.11 N ATOM 210 CZ ARG A 13 -1.632 -9.487 -18.605 1.00 35.11 C ATOM 211 NH1 ARG A 13 -2.794 -10.100 -18.783 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -0.902 -9.140 -19.657 1.00 54.31 N ATOM 0 H ARG A 13 -4.102 -8.565 -12.171 1.00 1.42 H new ATOM 0 HA ARG A 13 -5.665 -8.694 -14.527 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.642 -7.378 -14.441 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -2.683 -8.762 -13.953 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -4.046 -9.294 -16.475 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.113 -7.815 -16.575 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -1.307 -9.400 -15.295 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -2.188 -10.626 -16.184 1.00 25.52 H new ATOM 0 HE ARG A 13 -0.300 -8.748 -17.276 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -3.358 -10.368 -17.977 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -3.124 -10.304 -19.726 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -0.008 -8.668 -19.524 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -1.235 -9.345 -20.599 1.00 54.31 H new ATOM 226 N VAL A 14 -4.084 -11.430 -13.624 1.00 22.42 N ATOM 227 CA VAL A 14 -3.977 -12.863 -13.873 1.00 65.13 C ATOM 228 C VAL A 14 -5.349 -13.485 -14.104 1.00 11.41 C ATOM 229 O VAL A 14 -5.541 -14.263 -15.038 1.00 11.41 O ATOM 230 CB VAL A 14 -3.287 -13.587 -12.702 1.00 21.10 C ATOM 231 CG1 VAL A 14 -3.213 -15.083 -12.968 1.00 11.02 C ATOM 232 CG2 VAL A 14 -1.899 -13.010 -12.462 1.00 61.14 C ATOM 0 H VAL A 14 -3.602 -11.111 -12.784 1.00 22.42 H new ATOM 0 HA VAL A 14 -3.371 -12.983 -14.771 1.00 65.13 H new ATOM 0 HB VAL A 14 -3.881 -13.432 -11.801 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -2.722 -15.578 -12.130 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -4.221 -15.482 -13.086 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.643 -15.263 -13.880 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -1.426 -13.533 -11.631 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -1.294 -13.133 -13.360 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -1.982 -11.950 -12.223 1.00 61.14 H new ATOM 242 N GLY A 15 -6.303 -13.135 -13.246 1.00 21.44 N ATOM 243 CA GLY A 15 -7.646 -13.669 -13.372 1.00 52.30 C ATOM 244 C GLY A 15 -8.515 -12.836 -14.293 1.00 73.25 C ATOM 245 O GLY A 15 -9.732 -13.019 -14.343 1.00 42.21 O ATOM 0 H GLY A 15 -6.169 -12.491 -12.466 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -7.594 -14.690 -13.751 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.109 -13.718 -12.386 1.00 52.30 H new ATOM 249 N ALA A 16 -7.891 -11.918 -15.023 1.00 11.20 N ATOM 250 CA ALA A 16 -8.616 -11.054 -15.946 1.00 51.25 C ATOM 251 C ALA A 16 -8.090 -11.207 -17.370 1.00 3.23 C ATOM 252 O ALA A 16 -8.523 -10.503 -18.282 1.00 4.14 O ATOM 253 CB ALA A 16 -8.518 -9.603 -15.500 1.00 14.21 C ATOM 0 H ALA A 16 -6.885 -11.753 -14.993 1.00 11.20 H new ATOM 0 HA ALA A 16 -9.664 -11.355 -15.938 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.064 -8.970 -16.199 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -8.948 -9.499 -14.504 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -7.471 -9.299 -15.477 1.00 14.21 H new ATOM 259 N VAL A 17 -7.152 -12.131 -17.552 1.00 61.40 N ATOM 260 CA VAL A 17 -6.567 -12.377 -18.865 1.00 25.41 C ATOM 261 C VAL A 17 -7.648 -12.568 -19.922 1.00 62.03 C ATOM 262 O VAL A 17 -8.643 -13.256 -19.690 1.00 65.32 O ATOM 263 CB VAL A 17 -5.655 -13.619 -18.849 1.00 5.11 C ATOM 264 CG1 VAL A 17 -5.365 -14.087 -20.266 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.362 -13.321 -18.102 1.00 53.34 C ATOM 0 H VAL A 17 -6.781 -12.721 -16.807 1.00 61.40 H new ATOM 0 HA VAL A 17 -5.970 -11.500 -19.115 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.174 -14.422 -18.326 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -4.720 -14.965 -20.234 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -6.301 -14.342 -20.764 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -4.866 -13.290 -20.818 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -3.730 -14.209 -18.100 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -3.837 -12.503 -18.595 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -4.592 -13.038 -17.075 1.00 53.34 H new ATOM 275 N ASP A 18 -7.446 -11.956 -21.083 1.00 53.03 N ATOM 276 CA ASP A 18 -8.404 -12.060 -22.178 1.00 53.12 C ATOM 277 C ASP A 18 -7.894 -13.011 -23.258 1.00 33.02 C ATOM 278 O ASP A 18 -6.702 -13.067 -23.557 1.00 11.13 O ATOM 279 CB ASP A 18 -8.672 -10.680 -22.782 1.00 41.05 C ATOM 280 CG ASP A 18 -9.636 -9.860 -21.948 1.00 3.44 C ATOM 281 OD1 ASP A 18 -9.878 -10.235 -20.781 1.00 41.35 O ATOM 282 OD2 ASP A 18 -10.148 -8.844 -22.461 1.00 43.50 O1- ATOM 0 H ASP A 18 -6.628 -11.383 -21.291 1.00 53.03 H new ATOM 0 HA ASP A 18 -9.335 -12.460 -21.777 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -7.730 -10.140 -22.879 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -9.076 -10.799 -23.787 1.00 41.05 H new ATOM 287 N PRO A 19 -8.819 -13.777 -23.855 1.00 61.33 N ATOM 288 CA PRO A 19 -8.488 -14.740 -24.910 1.00 24.45 C ATOM 289 C PRO A 19 -8.072 -14.058 -26.208 1.00 52.45 C ATOM 290 O PRO A 19 -7.501 -14.689 -27.096 1.00 60.01 O ATOM 291 CB PRO A 19 -9.793 -15.515 -25.106 1.00 44.51 C ATOM 292 CG PRO A 19 -10.861 -14.576 -24.660 1.00 61.04 C ATOM 293 CD PRO A 19 -10.260 -13.763 -23.548 1.00 65.12 C ATOM 0 HA PRO A 19 -7.641 -15.369 -24.636 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -9.929 -15.804 -26.148 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -9.801 -16.432 -24.517 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -11.185 -13.936 -25.480 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -11.740 -15.120 -24.314 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -10.658 -12.748 -23.532 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -10.467 -14.202 -22.572 1.00 65.12 H new ATOM 301 N ASN A 20 -8.362 -12.765 -26.311 1.00 14.21 N ATOM 302 CA ASN A 20 -8.018 -11.997 -27.502 1.00 51.20 C ATOM 303 C ASN A 20 -6.506 -11.836 -27.628 1.00 32.21 C ATOM 304 O ASN A 20 -5.957 -11.884 -28.727 1.00 25.02 O ATOM 305 CB ASN A 20 -8.687 -10.621 -27.457 1.00 64.43 C ATOM 306 CG ASN A 20 -9.861 -10.518 -28.413 1.00 2.35 C ATOM 307 OD1 ASN A 20 -9.857 -9.700 -29.333 1.00 4.13 O ATOM 308 ND2 ASN A 20 -10.872 -11.351 -28.198 1.00 52.44 N ATOM 0 H ASN A 20 -8.834 -12.227 -25.584 1.00 14.21 H new ATOM 0 HA ASN A 20 -8.381 -12.542 -28.373 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -9.029 -10.419 -26.442 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -7.952 -9.854 -27.704 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -11.689 -11.329 -28.808 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -10.832 -12.013 -27.423 1.00 52.44 H new ATOM 315 N GLY A 21 -5.840 -11.646 -26.493 1.00 50.52 N ATOM 316 CA GLY A 21 -4.399 -11.481 -26.498 1.00 62.51 C ATOM 317 C GLY A 21 -3.664 -12.802 -26.378 1.00 11.23 C ATOM 318 O GLY A 21 -3.357 -13.459 -27.372 1.00 25.24 O ATOM 0 H GLY A 21 -6.273 -11.603 -25.570 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -4.097 -10.983 -27.419 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -4.108 -10.830 -25.673 1.00 62.51 H new ATOM 322 N PRO A 22 -3.369 -13.208 -25.133 1.00 62.45 N ATOM 323 CA PRO A 22 -2.661 -14.461 -24.857 1.00 23.24 C ATOM 324 C PRO A 22 -3.514 -15.689 -25.160 1.00 51.52 C ATOM 325 O PRO A 22 -4.744 -15.618 -25.157 1.00 44.23 O ATOM 326 CB PRO A 22 -2.362 -14.376 -23.358 1.00 44.15 C ATOM 327 CG PRO A 22 -3.410 -13.470 -22.813 1.00 54.42 C ATOM 328 CD PRO A 22 -3.704 -12.475 -23.901 1.00 52.42 C ATOM 0 HA PRO A 22 -1.772 -14.572 -25.478 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -2.406 -15.359 -22.889 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -1.363 -13.980 -23.176 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -4.306 -14.028 -22.542 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -3.062 -12.969 -21.910 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -4.749 -12.164 -23.890 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -3.102 -11.573 -23.794 1.00 52.42 H new ATOM 336 N ARG A 23 -2.855 -16.812 -25.422 1.00 3.14 N ATOM 337 CA ARG A 23 -3.553 -18.054 -25.728 1.00 53.14 C ATOM 338 C ARG A 23 -3.292 -19.105 -24.652 1.00 53.31 C ATOM 339 O ARG A 23 -2.390 -18.954 -23.828 1.00 11.32 O ATOM 340 CB ARG A 23 -3.116 -18.587 -27.093 1.00 65.52 C ATOM 341 CG ARG A 23 -4.141 -18.361 -28.193 1.00 43.32 C ATOM 342 CD ARG A 23 -4.561 -16.902 -28.271 1.00 4.23 C ATOM 343 NE ARG A 23 -4.269 -16.317 -29.578 1.00 13.13 N ATOM 344 CZ ARG A 23 -4.873 -15.231 -30.047 1.00 63.53 C ATOM 345 NH1 ARG A 23 -5.796 -14.615 -29.322 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -4.553 -14.759 -31.246 1.00 32.33 N ATOM 0 H ARG A 23 -1.838 -16.887 -25.429 1.00 3.14 H new ATOM 0 HA ARG A 23 -4.622 -17.843 -25.753 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.179 -18.108 -27.377 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -2.915 -19.655 -27.009 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -3.723 -18.672 -29.151 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -5.017 -18.984 -28.010 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -5.629 -16.821 -28.068 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -4.045 -16.334 -27.496 1.00 4.23 H new ATOM 0 HE ARG A 23 -3.563 -16.767 -30.161 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -6.045 -14.975 -28.400 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -6.258 -13.781 -29.686 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -3.843 -15.230 -31.807 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -5.017 -13.925 -31.606 1.00 32.33 H new ATOM 360 N LYS A 24 -4.088 -20.169 -24.666 1.00 71.13 N ATOM 361 CA LYS A 24 -3.944 -21.245 -23.693 1.00 41.04 C ATOM 362 C LYS A 24 -2.487 -21.684 -23.580 1.00 22.22 C ATOM 363 O LYS A 24 -1.915 -22.223 -24.528 1.00 21.24 O ATOM 364 CB LYS A 24 -4.818 -22.438 -24.088 1.00 44.53 C ATOM 365 CG LYS A 24 -4.336 -23.157 -25.336 1.00 62.53 C ATOM 366 CD LYS A 24 -5.500 -23.655 -26.176 1.00 63.55 C ATOM 367 CE LYS A 24 -5.588 -25.173 -26.163 1.00 34.31 C ATOM 368 NZ LYS A 24 -6.735 -25.670 -26.974 1.00 63.14 N1+ ATOM 0 H LYS A 24 -4.840 -20.309 -25.341 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.269 -20.870 -22.722 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -4.848 -23.146 -23.260 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -5.839 -22.092 -24.249 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -3.719 -22.483 -25.930 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -3.705 -23.999 -25.051 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -6.430 -23.232 -25.797 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -5.386 -23.305 -27.202 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -4.660 -25.594 -26.550 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -5.692 -25.522 -25.136 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -6.760 -26.709 -26.940 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -7.623 -25.289 -26.589 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -6.624 -25.359 -27.960 1.00 63.14 H new ATOM 382 N VAL A 25 -1.892 -21.450 -22.414 1.00 32.25 N ATOM 383 CA VAL A 25 -0.503 -21.824 -22.176 1.00 72.11 C ATOM 384 C VAL A 25 -0.394 -22.839 -21.043 1.00 51.12 C ATOM 385 O VAL A 25 -1.382 -23.151 -20.375 1.00 43.45 O ATOM 386 CB VAL A 25 0.358 -20.594 -21.835 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.537 -19.711 -23.059 1.00 11.11 C ATOM 388 CG2 VAL A 25 -0.263 -19.811 -20.688 1.00 3.14 C ATOM 0 H VAL A 25 -2.350 -21.003 -21.620 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.133 -22.273 -23.098 1.00 72.11 H new ATOM 0 HB VAL A 25 1.343 -20.938 -21.519 1.00 34.14 H new ATOM 0 HG11 VAL A 25 1.148 -18.847 -22.798 1.00 11.11 H new ATOM 0 HG12 VAL A 25 1.030 -20.279 -23.848 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.438 -19.373 -23.410 1.00 11.11 H new ATOM 0 HG21 VAL A 25 0.359 -18.945 -20.460 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -1.260 -19.477 -20.974 1.00 3.14 H new ATOM 0 HG23 VAL A 25 -0.333 -20.449 -19.807 1.00 3.14 H new ATOM 398 N LEU A 26 0.813 -23.351 -20.829 1.00 52.13 N ATOM 399 CA LEU A 26 1.054 -24.330 -19.775 1.00 53.31 C ATOM 400 C LEU A 26 2.370 -24.048 -19.059 1.00 41.52 C ATOM 401 O LEU A 26 3.311 -23.524 -19.653 1.00 23.31 O ATOM 402 CB LEU A 26 1.071 -25.743 -20.360 1.00 34.22 C ATOM 403 CG LEU A 26 2.249 -26.078 -21.275 1.00 5.53 C ATOM 404 CD1 LEU A 26 3.113 -27.167 -20.657 1.00 50.53 C ATOM 405 CD2 LEU A 26 1.754 -26.502 -22.650 1.00 1.25 C ATOM 0 H LEU A 26 1.641 -23.104 -21.372 1.00 52.13 H new ATOM 0 HA LEU A 26 0.244 -24.253 -19.049 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.064 -26.456 -19.535 1.00 34.22 H new ATOM 0 HB3 LEU A 26 0.148 -25.894 -20.920 1.00 34.22 H new ATOM 0 HG LEU A 26 2.859 -25.182 -21.392 1.00 5.53 H new ATOM 0 HD11 LEU A 26 3.946 -27.392 -21.323 1.00 50.53 H new ATOM 0 HD12 LEU A 26 3.498 -26.825 -19.696 1.00 50.53 H new ATOM 0 HD13 LEU A 26 2.515 -28.066 -20.508 1.00 50.53 H new ATOM 0 HD21 LEU A 26 2.607 -26.736 -23.287 1.00 1.25 H new ATOM 0 HD22 LEU A 26 1.120 -27.384 -22.553 1.00 1.25 H new ATOM 0 HD23 LEU A 26 1.180 -25.690 -23.096 1.00 1.25 H new ATOM 417 N GLY A 27 2.429 -24.401 -17.779 1.00 11.13 N ATOM 418 CA GLY A 27 3.636 -24.179 -17.003 1.00 74.50 C ATOM 419 C GLY A 27 3.368 -23.422 -15.717 1.00 72.22 C ATOM 420 O GLY A 27 2.215 -23.188 -15.355 1.00 33.15 O ATOM 0 H GLY A 27 1.663 -24.837 -17.265 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.094 -25.139 -16.767 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.354 -23.623 -17.605 1.00 74.50 H new ATOM 424 N VAL A 28 4.435 -23.039 -15.025 1.00 0.31 N ATOM 425 CA VAL A 28 4.310 -22.305 -13.772 1.00 11.43 C ATOM 426 C VAL A 28 5.426 -21.277 -13.623 1.00 12.21 C ATOM 427 O VAL A 28 6.523 -21.453 -14.153 1.00 72.43 O ATOM 428 CB VAL A 28 4.337 -23.254 -12.559 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.693 -22.594 -11.349 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.643 -24.565 -12.894 1.00 65.50 C ATOM 0 H VAL A 28 5.396 -23.225 -15.311 1.00 0.31 H new ATOM 0 HA VAL A 28 3.349 -21.792 -13.801 1.00 11.43 H new ATOM 0 HB VAL A 28 5.376 -23.472 -12.313 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.722 -23.280 -10.502 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.238 -21.684 -11.098 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.657 -22.344 -11.579 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.671 -25.224 -12.026 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.606 -24.368 -13.167 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.154 -25.044 -13.730 1.00 65.50 H new ATOM 440 N PHE A 29 5.140 -20.200 -12.898 1.00 21.24 N ATOM 441 CA PHE A 29 6.119 -19.142 -12.679 1.00 24.31 C ATOM 442 C PHE A 29 6.424 -18.982 -11.192 1.00 74.32 C ATOM 443 O PHE A 29 5.547 -19.157 -10.347 1.00 14.41 O ATOM 444 CB PHE A 29 5.608 -17.819 -13.252 1.00 62.43 C ATOM 445 CG PHE A 29 5.471 -17.827 -14.748 1.00 74.23 C ATOM 446 CD1 PHE A 29 6.431 -18.434 -15.542 1.00 73.12 C ATOM 447 CD2 PHE A 29 4.381 -17.229 -15.360 1.00 0.33 C ATOM 448 CE1 PHE A 29 6.306 -18.444 -16.919 1.00 43.11 C ATOM 449 CE2 PHE A 29 4.251 -17.235 -16.736 1.00 64.12 C ATOM 450 CZ PHE A 29 5.216 -17.843 -17.516 1.00 52.54 C ATOM 0 H PHE A 29 4.237 -20.037 -12.452 1.00 21.24 H new ATOM 0 HA PHE A 29 7.039 -19.421 -13.192 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.639 -17.590 -12.808 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.289 -17.019 -12.962 1.00 62.43 H new ATOM 0 HD1 PHE A 29 7.286 -18.905 -15.080 1.00 73.12 H new ATOM 0 HD2 PHE A 29 3.624 -16.753 -14.755 1.00 0.33 H new ATOM 0 HE1 PHE A 29 7.060 -18.921 -17.527 1.00 43.11 H new ATOM 0 HE2 PHE A 29 3.397 -16.765 -17.201 1.00 64.12 H new ATOM 0 HZ PHE A 29 5.118 -17.848 -18.591 1.00 52.54 H new ATOM 460 N GLN A 30 7.673 -18.649 -10.883 1.00 73.10 N ATOM 461 CA GLN A 30 8.093 -18.466 -9.499 1.00 2.03 C ATOM 462 C GLN A 30 8.614 -17.050 -9.271 1.00 32.14 C ATOM 463 O GLN A 30 9.762 -16.741 -9.590 1.00 10.04 O ATOM 464 CB GLN A 30 9.175 -19.484 -9.133 1.00 11.10 C ATOM 465 CG GLN A 30 9.458 -19.561 -7.642 1.00 21.52 C ATOM 466 CD GLN A 30 8.193 -19.639 -6.810 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.237 -20.324 -7.175 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.181 -18.935 -5.685 1.00 1.20 N ATOM 0 H GLN A 30 8.411 -18.501 -11.571 1.00 73.10 H new ATOM 0 HA GLN A 30 7.225 -18.623 -8.859 1.00 2.03 H new ATOM 0 HB2 GLN A 30 8.871 -20.469 -9.488 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.096 -19.227 -9.656 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.076 -20.435 -7.438 1.00 21.52 H new ATOM 0 HG3 GLN A 30 10.033 -18.686 -7.340 1.00 21.52 H new ATOM 0 HE21 GLN A 30 8.996 -18.381 -5.421 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.357 -18.948 -5.084 1.00 1.20 H new ATOM 477 N LEU A 31 7.761 -16.195 -8.717 1.00 65.02 N ATOM 478 CA LEU A 31 8.136 -14.811 -8.446 1.00 54.50 C ATOM 479 C LEU A 31 8.832 -14.689 -7.094 1.00 53.24 C ATOM 480 O LEU A 31 8.340 -15.192 -6.085 1.00 13.04 O ATOM 481 CB LEU A 31 6.898 -13.912 -8.478 1.00 52.25 C ATOM 482 CG LEU A 31 7.049 -12.538 -7.824 1.00 62.25 C ATOM 483 CD1 LEU A 31 8.114 -11.721 -8.538 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.718 -11.799 -7.822 1.00 64.43 C ATOM 0 H LEU A 31 6.807 -16.435 -8.447 1.00 65.02 H new ATOM 0 HA LEU A 31 8.832 -14.490 -9.221 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.606 -13.767 -9.518 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.079 -14.438 -7.987 1.00 52.25 H new ATOM 0 HG LEU A 31 7.363 -12.681 -6.790 1.00 62.25 H new ATOM 0 HD11 LEU A 31 8.207 -10.747 -8.059 1.00 62.41 H new ATOM 0 HD12 LEU A 31 9.069 -12.244 -8.486 1.00 62.41 H new ATOM 0 HD13 LEU A 31 7.830 -11.586 -9.582 1.00 62.41 H new ATOM 0 HD21 LEU A 31 5.844 -10.823 -7.353 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.374 -11.667 -8.848 1.00 64.43 H new ATOM 0 HD23 LEU A 31 4.982 -12.377 -7.264 1.00 64.43 H new ATOM 496 N ASN A 32 9.978 -14.017 -7.083 1.00 55.44 N ATOM 497 CA ASN A 32 10.740 -13.827 -5.854 1.00 63.23 C ATOM 498 C ASN A 32 11.048 -12.350 -5.627 1.00 53.21 C ATOM 499 O ASN A 32 11.846 -11.754 -6.351 1.00 30.12 O ATOM 500 CB ASN A 32 12.043 -14.628 -5.910 1.00 15.22 C ATOM 501 CG ASN A 32 11.806 -16.097 -6.201 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.854 -16.936 -5.300 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.548 -16.416 -7.464 1.00 41.33 N ATOM 0 H ASN A 32 10.399 -13.595 -7.910 1.00 55.44 H new ATOM 0 HA ASN A 32 10.135 -14.185 -5.021 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.692 -14.208 -6.679 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.569 -14.529 -4.960 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.380 -17.389 -7.720 1.00 41.33 H new ATOM 0 HD22 ASN A 32 11.518 -15.688 -8.178 1.00 41.33 H new ATOM 510 N ILE A 33 10.410 -11.766 -4.618 1.00 31.21 N ATOM 511 CA ILE A 33 10.617 -10.360 -4.296 1.00 31.14 C ATOM 512 C ILE A 33 11.572 -10.202 -3.116 1.00 52.44 C ATOM 513 O ILE A 33 11.425 -10.866 -2.090 1.00 11.10 O ATOM 514 CB ILE A 33 9.288 -9.658 -3.963 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.281 -9.860 -5.097 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.520 -8.175 -3.712 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.302 -10.985 -4.842 1.00 72.22 C ATOM 0 H ILE A 33 9.746 -12.245 -4.010 1.00 31.21 H new ATOM 0 HA ILE A 33 11.053 -9.894 -5.179 1.00 31.14 H new ATOM 0 HB ILE A 33 8.878 -10.101 -3.055 1.00 13.11 H new ATOM 0 HG12 ILE A 33 7.726 -8.934 -5.249 1.00 12.13 H new ATOM 0 HG13 ILE A 33 8.822 -10.063 -6.021 1.00 12.13 H new ATOM 0 HG21 ILE A 33 8.571 -7.693 -3.478 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.206 -8.051 -2.874 1.00 60.34 H new ATOM 0 HG23 ILE A 33 9.949 -7.718 -4.604 1.00 60.34 H new ATOM 0 HD11 ILE A 33 6.618 -11.071 -5.687 1.00 72.22 H new ATOM 0 HD12 ILE A 33 7.847 -11.921 -4.720 1.00 72.22 H new ATOM 0 HD13 ILE A 33 6.734 -10.775 -3.936 1.00 72.22 H new ATOM 529 N LYS A 34 12.550 -9.316 -3.270 1.00 22.24 N ATOM 530 CA LYS A 34 13.528 -9.066 -2.217 1.00 23.21 C ATOM 531 C LYS A 34 12.900 -8.292 -1.063 1.00 44.34 C ATOM 532 O LYS A 34 11.932 -7.554 -1.251 1.00 15.11 O ATOM 533 CB LYS A 34 14.723 -8.291 -2.777 1.00 53.34 C ATOM 534 CG LYS A 34 15.770 -9.176 -3.432 1.00 41.43 C ATOM 535 CD LYS A 34 16.049 -8.743 -4.862 1.00 33.21 C ATOM 536 CE LYS A 34 17.329 -9.370 -5.393 1.00 40.23 C ATOM 537 NZ LYS A 34 17.069 -10.666 -6.079 1.00 30.42 N1+ ATOM 0 H LYS A 34 12.687 -8.759 -4.113 1.00 22.24 H new ATOM 0 HA LYS A 34 13.872 -10.029 -1.839 1.00 23.21 H new ATOM 0 HB2 LYS A 34 14.365 -7.565 -3.507 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.190 -7.727 -1.970 1.00 53.34 H new ATOM 0 HG2 LYS A 34 16.693 -9.139 -2.853 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.429 -10.211 -3.424 1.00 41.43 H new ATOM 0 HD2 LYS A 34 15.212 -9.027 -5.499 1.00 33.21 H new ATOM 0 HD3 LYS A 34 16.129 -7.657 -4.906 1.00 33.21 H new ATOM 0 HE2 LYS A 34 17.810 -8.681 -6.088 1.00 40.23 H new ATOM 0 HE3 LYS A 34 18.025 -9.528 -4.569 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 17.966 -11.061 -6.426 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 16.634 -11.332 -5.409 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 16.425 -10.511 -6.881 1.00 30.42 H new ATOM 551 N THR A 35 13.459 -8.461 0.131 1.00 41.14 N ATOM 552 CA THR A 35 12.954 -7.777 1.315 1.00 62.04 C ATOM 553 C THR A 35 14.089 -7.408 2.263 1.00 21.21 C ATOM 554 O THR A 35 15.238 -7.796 2.051 1.00 42.41 O ATOM 555 CB THR A 35 11.931 -8.645 2.072 1.00 73.14 C ATOM 556 OG1 THR A 35 12.610 -9.620 2.870 1.00 74.33 O ATOM 557 CG2 THR A 35 10.990 -9.342 1.100 1.00 21.11 C ATOM 0 H THR A 35 14.262 -9.066 0.304 1.00 41.14 H new ATOM 0 HA THR A 35 12.463 -6.868 0.969 1.00 62.04 H new ATOM 0 HB THR A 35 11.343 -7.994 2.719 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.952 -10.166 3.349 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.276 -9.949 1.657 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.453 -8.595 0.515 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.566 -9.981 0.431 1.00 21.11 H new ATOM 565 N ALA A 36 13.760 -6.657 3.308 1.00 32.44 N ATOM 566 CA ALA A 36 14.753 -6.238 4.291 1.00 70.24 C ATOM 567 C ALA A 36 15.079 -7.371 5.259 1.00 54.21 C ATOM 568 O ALA A 36 16.074 -7.315 5.981 1.00 10.51 O ATOM 569 CB ALA A 36 14.259 -5.017 5.051 1.00 11.33 C ATOM 0 H ALA A 36 12.814 -6.326 3.497 1.00 32.44 H new ATOM 0 HA ALA A 36 15.668 -5.976 3.759 1.00 70.24 H new ATOM 0 HB1 ALA A 36 15.010 -4.715 5.781 1.00 11.33 H new ATOM 0 HB2 ALA A 36 14.083 -4.200 4.352 1.00 11.33 H new ATOM 0 HB3 ALA A 36 13.329 -5.260 5.566 1.00 11.33 H new ATOM 575 N SER A 37 14.234 -8.397 5.268 1.00 12.43 N ATOM 576 CA SER A 37 14.429 -9.540 6.151 1.00 24.12 C ATOM 577 C SER A 37 14.682 -10.811 5.347 1.00 71.45 C ATOM 578 O SER A 37 14.723 -11.910 5.897 1.00 35.33 O ATOM 579 CB SER A 37 13.210 -9.729 7.055 1.00 74.34 C ATOM 580 OG SER A 37 13.444 -9.194 8.346 1.00 31.32 O ATOM 0 H SER A 37 13.408 -8.460 4.673 1.00 12.43 H new ATOM 0 HA SER A 37 15.304 -9.342 6.771 1.00 24.12 H new ATOM 0 HB2 SER A 37 12.343 -9.242 6.608 1.00 74.34 H new ATOM 0 HB3 SER A 37 12.974 -10.790 7.135 1.00 74.34 H new ATOM 0 HG SER A 37 12.649 -9.326 8.904 1.00 31.32 H new ATOM 586 N GLY A 38 14.852 -10.651 4.037 1.00 20.32 N ATOM 587 CA GLY A 38 15.098 -11.793 3.176 1.00 11.02 C ATOM 588 C GLY A 38 14.422 -11.658 1.826 1.00 44.13 C ATOM 589 O GLY A 38 14.563 -10.637 1.153 1.00 2.10 O ATOM 0 H GLY A 38 14.824 -9.751 3.558 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.172 -11.910 3.031 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.742 -12.698 3.668 1.00 11.02 H new ATOM 593 N VAL A 39 13.687 -12.691 1.427 1.00 25.01 N ATOM 594 CA VAL A 39 12.988 -12.684 0.149 1.00 53.13 C ATOM 595 C VAL A 39 11.645 -13.398 0.252 1.00 4.40 C ATOM 596 O VAL A 39 11.533 -14.437 0.901 1.00 12.03 O ATOM 597 CB VAL A 39 13.829 -13.352 -0.955 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.801 -14.866 -0.804 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.330 -12.936 -2.331 1.00 44.20 C ATOM 0 H VAL A 39 13.561 -13.544 1.972 1.00 25.01 H new ATOM 0 HA VAL A 39 12.821 -11.639 -0.114 1.00 53.13 H new ATOM 0 HB VAL A 39 14.862 -13.019 -0.853 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.400 -15.321 -1.592 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.210 -15.142 0.168 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.773 -15.220 -0.879 1.00 45.01 H new ATOM 0 HG21 VAL A 39 13.936 -13.417 -3.099 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.289 -13.238 -2.447 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.407 -11.854 -2.434 1.00 44.20 H new ATOM 609 N GLU A 40 10.629 -12.832 -0.393 1.00 32.42 N ATOM 610 CA GLU A 40 9.293 -13.416 -0.372 1.00 60.10 C ATOM 611 C GLU A 40 9.045 -14.253 -1.624 1.00 42.53 C ATOM 612 O GLU A 40 9.168 -13.760 -2.746 1.00 20.13 O ATOM 613 CB GLU A 40 8.234 -12.318 -0.262 1.00 24.13 C ATOM 614 CG GLU A 40 8.366 -11.470 0.992 1.00 11.04 C ATOM 615 CD GLU A 40 7.272 -11.752 2.005 1.00 24.31 C ATOM 616 OE1 GLU A 40 7.429 -12.705 2.796 1.00 60.43 O ATOM 617 OE2 GLU A 40 6.261 -11.020 2.006 1.00 55.13 O1- ATOM 0 H GLU A 40 10.706 -11.972 -0.935 1.00 32.42 H new ATOM 0 HA GLU A 40 9.223 -14.067 0.499 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.301 -11.671 -1.137 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.245 -12.776 -0.279 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.337 -11.655 1.451 1.00 11.04 H new ATOM 0 HG3 GLU A 40 8.339 -10.415 0.718 1.00 11.04 H new ATOM 624 N GLN A 41 8.697 -15.519 -1.424 1.00 42.11 N ATOM 625 CA GLN A 41 8.433 -16.423 -2.536 1.00 75.52 C ATOM 626 C GLN A 41 6.968 -16.361 -2.954 1.00 53.35 C ATOM 627 O GLN A 41 6.088 -16.111 -2.130 1.00 61.42 O ATOM 628 CB GLN A 41 8.806 -17.858 -2.155 1.00 53.24 C ATOM 629 CG GLN A 41 10.292 -18.054 -1.906 1.00 24.20 C ATOM 630 CD GLN A 41 11.024 -18.572 -3.129 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.407 -19.046 -4.083 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.349 -18.485 -3.106 1.00 4.21 N ATOM 0 H GLN A 41 8.591 -15.942 -0.502 1.00 42.11 H new ATOM 0 HA GLN A 41 9.046 -16.107 -3.380 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.255 -18.142 -1.258 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.488 -18.531 -2.951 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.733 -17.106 -1.597 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.429 -18.753 -1.081 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.820 -18.085 -2.294 1.00 4.21 H new ATOM 0 HE22 GLN A 41 12.896 -18.818 -3.900 1.00 4.21 H new ATOM 641 N TRP A 42 6.713 -16.588 -4.237 1.00 43.02 N ATOM 642 CA TRP A 42 5.353 -16.556 -4.765 1.00 5.44 C ATOM 643 C TRP A 42 5.220 -17.461 -5.983 1.00 60.44 C ATOM 644 O TRP A 42 6.124 -17.532 -6.818 1.00 11.52 O ATOM 645 CB TRP A 42 4.961 -15.124 -5.133 1.00 34.30 C ATOM 646 CG TRP A 42 4.892 -14.204 -3.951 1.00 73.05 C ATOM 647 CD1 TRP A 42 5.907 -13.441 -3.447 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.749 -13.953 -3.125 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.463 -12.731 -2.357 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.143 -13.026 -2.140 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.432 -14.419 -3.124 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.267 -12.561 -1.164 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.564 -13.956 -2.154 1.00 35.41 C ATOM 654 CH2 TRP A 42 1.982 -13.034 -1.187 1.00 22.13 C ATOM 0 H TRP A 42 7.430 -16.796 -4.932 1.00 43.02 H new ATOM 0 HA TRP A 42 4.680 -16.922 -3.989 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.682 -14.730 -5.849 1.00 34.30 H new ATOM 0 HB3 TRP A 42 3.992 -15.137 -5.631 1.00 34.30 H new ATOM 0 HD1 TRP A 42 6.910 -13.402 -3.846 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.026 -12.088 -1.800 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.099 -15.128 -3.868 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.589 -11.852 -0.415 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.544 -14.312 -2.141 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.277 -12.689 -0.445 1.00 22.13 H new ATOM 665 N ILE A 43 4.090 -18.153 -6.081 1.00 22.22 N ATOM 666 CA ILE A 43 3.841 -19.055 -7.199 1.00 14.53 C ATOM 667 C ILE A 43 2.736 -18.516 -8.102 1.00 73.12 C ATOM 668 O ILE A 43 1.642 -18.194 -7.638 1.00 34.33 O ATOM 669 CB ILE A 43 3.450 -20.462 -6.712 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.526 -21.019 -5.778 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.236 -21.392 -7.897 1.00 31.11 C ATOM 672 CD1 ILE A 43 3.998 -21.412 -4.416 1.00 2.14 C ATOM 0 H ILE A 43 3.332 -18.106 -5.400 1.00 22.22 H new ATOM 0 HA ILE A 43 4.770 -19.122 -7.764 1.00 14.53 H new ATOM 0 HB ILE A 43 2.515 -20.392 -6.157 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.987 -21.889 -6.245 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.310 -20.272 -5.653 1.00 31.22 H new ATOM 0 HG21 ILE A 43 2.960 -22.383 -7.537 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.438 -21.000 -8.528 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.156 -21.460 -8.477 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.815 -21.798 -3.807 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.563 -20.539 -3.929 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.235 -22.182 -4.530 1.00 2.14 H new ATOM 684 N VAL A 44 3.028 -18.422 -9.395 1.00 32.54 N ATOM 685 CA VAL A 44 2.059 -17.927 -10.364 1.00 1.41 C ATOM 686 C VAL A 44 1.930 -18.877 -11.549 1.00 62.00 C ATOM 687 O VAL A 44 2.784 -18.898 -12.436 1.00 64.24 O ATOM 688 CB VAL A 44 2.448 -16.528 -10.881 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.701 -15.448 -10.114 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.952 -16.323 -10.781 1.00 14.24 C ATOM 0 H VAL A 44 3.929 -18.683 -9.796 1.00 32.54 H new ATOM 0 HA VAL A 44 1.101 -17.863 -9.849 1.00 1.41 H new ATOM 0 HB VAL A 44 2.164 -16.455 -11.931 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.989 -14.467 -10.493 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.628 -15.586 -10.243 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.951 -15.515 -9.055 1.00 0.24 H new ATOM 0 HG21 VAL A 44 4.209 -15.330 -11.150 1.00 14.24 H new ATOM 0 HG22 VAL A 44 4.263 -16.415 -9.740 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.463 -17.077 -11.381 1.00 14.24 H new ATOM 700 N ASP A 45 0.858 -19.661 -11.558 1.00 45.32 N ATOM 701 CA ASP A 45 0.616 -20.613 -12.635 1.00 21.31 C ATOM 702 C ASP A 45 -0.026 -19.926 -13.835 1.00 43.53 C ATOM 703 O ASP A 45 -0.781 -18.965 -13.683 1.00 12.42 O ATOM 704 CB ASP A 45 -0.279 -21.753 -12.145 1.00 64.12 C ATOM 705 CG ASP A 45 -0.846 -22.575 -13.286 1.00 63.33 C ATOM 706 OD1 ASP A 45 -2.073 -22.809 -13.297 1.00 21.05 O ATOM 707 OD2 ASP A 45 -0.063 -22.983 -14.169 1.00 51.12 O1- ATOM 0 H ASP A 45 0.142 -19.656 -10.831 1.00 45.32 H new ATOM 0 HA ASP A 45 1.577 -21.023 -12.946 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.294 -22.402 -11.483 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -1.098 -21.341 -11.556 1.00 64.12 H new ATOM 712 N LEU A 46 0.279 -20.422 -15.029 1.00 52.01 N ATOM 713 CA LEU A 46 -0.268 -19.854 -16.257 1.00 33.22 C ATOM 714 C LEU A 46 -1.354 -20.755 -16.836 1.00 13.22 C ATOM 715 O LEU A 46 -2.117 -20.342 -17.710 1.00 72.41 O ATOM 716 CB LEU A 46 0.844 -19.650 -17.287 1.00 61.21 C ATOM 717 CG LEU A 46 1.867 -20.781 -17.405 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.345 -20.920 -18.841 1.00 24.32 C ATOM 719 CD2 LEU A 46 3.042 -20.536 -16.470 1.00 32.43 C ATOM 0 H LEU A 46 0.902 -21.216 -15.173 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.713 -18.889 -16.016 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.384 -19.500 -18.264 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.376 -18.731 -17.041 1.00 61.21 H new ATOM 0 HG LEU A 46 1.385 -21.714 -17.113 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.072 -21.729 -18.906 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.496 -21.143 -19.487 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.810 -19.988 -19.161 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.760 -21.350 -16.567 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.524 -19.594 -16.731 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.685 -20.488 -15.441 1.00 32.43 H new ATOM 731 N LYS A 47 -1.421 -21.986 -16.342 1.00 32.14 N ATOM 732 CA LYS A 47 -2.416 -22.944 -16.806 1.00 73.41 C ATOM 733 C LYS A 47 -3.822 -22.510 -16.401 1.00 25.15 C ATOM 734 O LYS A 47 -4.734 -22.484 -17.225 1.00 30.54 O ATOM 735 CB LYS A 47 -2.118 -24.335 -16.241 1.00 12.14 C ATOM 736 CG LYS A 47 -0.713 -24.827 -16.546 1.00 71.22 C ATOM 737 CD LYS A 47 -0.737 -26.129 -17.329 1.00 44.04 C ATOM 738 CE LYS A 47 0.419 -27.037 -16.936 1.00 52.41 C ATOM 739 NZ LYS A 47 0.088 -28.474 -17.139 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.797 -22.344 -15.619 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.366 -22.982 -17.894 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.261 -24.318 -15.161 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.839 -25.045 -16.647 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.176 -24.068 -17.116 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.167 -24.972 -15.614 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.682 -26.644 -17.153 1.00 44.04 H new ATOM 0 HD3 LYS A 47 -0.686 -25.914 -18.396 1.00 44.04 H new ATOM 0 HE2 LYS A 47 1.299 -26.780 -17.525 1.00 52.41 H new ATOM 0 HE3 LYS A 47 0.675 -26.867 -15.890 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 0.901 -29.060 -16.860 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 -0.737 -28.726 -16.557 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 -0.132 -28.641 -18.142 1.00 64.34 H new ATOM 753 N GLN A 48 -3.986 -22.170 -15.126 1.00 45.21 N ATOM 754 CA GLN A 48 -5.280 -21.736 -14.613 1.00 10.22 C ATOM 755 C GLN A 48 -5.251 -20.256 -14.243 1.00 4.23 C ATOM 756 O GLN A 48 -6.269 -19.681 -13.858 1.00 2.01 O ATOM 757 CB GLN A 48 -5.675 -22.571 -13.393 1.00 63.24 C ATOM 758 CG GLN A 48 -5.806 -24.055 -13.691 1.00 72.31 C ATOM 759 CD GLN A 48 -6.353 -24.839 -12.514 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.331 -25.578 -12.645 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.726 -24.683 -11.355 1.00 43.10 N ATOM 0 H GLN A 48 -3.240 -22.187 -14.431 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.021 -21.881 -15.399 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -4.930 -22.430 -12.610 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.623 -22.202 -13.002 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.461 -24.193 -14.551 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.830 -24.454 -13.967 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.920 -24.061 -11.291 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -6.050 -25.185 -10.528 1.00 43.10 H new ATOM 770 N LEU A 49 -4.077 -19.646 -14.361 1.00 40.44 N ATOM 771 CA LEU A 49 -3.914 -18.232 -14.039 1.00 12.54 C ATOM 772 C LEU A 49 -4.293 -17.957 -12.587 1.00 71.02 C ATOM 773 O LEU A 49 -5.368 -17.427 -12.305 1.00 2.15 O ATOM 774 CB LEU A 49 -4.769 -17.374 -14.972 1.00 75.10 C ATOM 775 CG LEU A 49 -4.306 -17.300 -16.428 1.00 14.43 C ATOM 776 CD1 LEU A 49 -2.830 -16.943 -16.502 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.575 -18.618 -17.140 1.00 22.10 C ATOM 0 H LEU A 49 -3.224 -20.108 -14.677 1.00 40.44 H new ATOM 0 HA LEU A 49 -2.864 -17.972 -14.177 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -5.788 -17.759 -14.955 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -4.804 -16.361 -14.571 1.00 75.10 H new ATOM 0 HG LEU A 49 -4.873 -16.516 -16.930 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -2.519 -16.895 -17.546 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -2.666 -15.974 -16.030 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.245 -17.703 -15.984 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -4.240 -18.548 -18.175 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -4.035 -19.420 -16.637 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -5.644 -18.831 -17.119 1.00 22.10 H new ATOM 789 N LYS A 50 -3.403 -18.320 -11.669 1.00 54.03 N ATOM 790 CA LYS A 50 -3.642 -18.111 -10.246 1.00 73.12 C ATOM 791 C LYS A 50 -2.374 -17.632 -9.547 1.00 13.13 C ATOM 792 O LYS A 50 -1.342 -17.423 -10.186 1.00 33.05 O ATOM 793 CB LYS A 50 -4.140 -19.403 -9.596 1.00 23.41 C ATOM 794 CG LYS A 50 -3.185 -20.574 -9.762 1.00 12.24 C ATOM 795 CD LYS A 50 -2.346 -20.790 -8.513 1.00 71.24 C ATOM 796 CE LYS A 50 -2.701 -22.099 -7.824 1.00 14.43 C ATOM 797 NZ LYS A 50 -2.539 -23.267 -8.732 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.509 -18.761 -11.886 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.407 -17.342 -10.140 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.303 -19.226 -8.533 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.105 -19.668 -10.027 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.752 -21.479 -9.982 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.530 -20.393 -10.615 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -1.289 -20.792 -8.779 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -2.499 -19.961 -7.822 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -2.068 -22.231 -6.947 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.731 -22.055 -7.470 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -2.237 -24.096 -8.181 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -3.446 -23.473 -9.198 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -1.821 -23.050 -9.452 1.00 41.23 H new ATOM 811 N VAL A 51 -2.457 -17.462 -8.231 1.00 11.01 N ATOM 812 CA VAL A 51 -1.315 -17.012 -7.444 1.00 51.13 C ATOM 813 C VAL A 51 -1.301 -17.670 -6.070 1.00 24.24 C ATOM 814 O VAL A 51 -2.352 -17.949 -5.493 1.00 11.33 O ATOM 815 CB VAL A 51 -1.324 -15.481 -7.268 1.00 74.54 C ATOM 816 CG1 VAL A 51 0.086 -14.962 -7.033 1.00 60.22 C ATOM 817 CG2 VAL A 51 -1.953 -14.810 -8.480 1.00 51.31 C ATOM 0 H VAL A 51 -3.304 -17.629 -7.687 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.418 -17.303 -7.992 1.00 51.13 H new ATOM 0 HB VAL A 51 -1.926 -15.237 -6.392 1.00 74.54 H new ATOM 0 HG11 VAL A 51 0.060 -13.879 -6.911 1.00 60.22 H new ATOM 0 HG12 VAL A 51 0.496 -15.419 -6.132 1.00 60.22 H new ATOM 0 HG13 VAL A 51 0.714 -15.216 -7.887 1.00 60.22 H new ATOM 0 HG21 VAL A 51 -1.951 -13.729 -8.339 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -1.380 -15.061 -9.373 1.00 51.31 H new ATOM 0 HG23 VAL A 51 -2.979 -15.159 -8.598 1.00 51.31 H new ATOM 827 N ASP A 52 -0.103 -17.915 -5.551 1.00 34.02 N ATOM 828 CA ASP A 52 0.050 -18.540 -4.242 1.00 10.05 C ATOM 829 C ASP A 52 1.340 -18.084 -3.569 1.00 41.12 C ATOM 830 O ASP A 52 2.208 -17.491 -4.209 1.00 32.23 O ATOM 831 CB ASP A 52 0.040 -20.063 -4.375 1.00 62.44 C ATOM 832 CG ASP A 52 -0.795 -20.537 -5.548 1.00 53.22 C ATOM 833 OD1 ASP A 52 -0.207 -20.919 -6.581 1.00 40.15 O ATOM 834 OD2 ASP A 52 -2.039 -20.525 -5.433 1.00 41.01 O1- ATOM 0 H ASP A 52 0.776 -17.690 -6.016 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.791 -18.232 -3.620 1.00 10.05 H new ATOM 0 HB2 ASP A 52 1.063 -20.421 -4.493 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.348 -20.502 -3.456 1.00 62.44 H new ATOM 839 N GLN A 53 1.458 -18.364 -2.275 1.00 45.12 N ATOM 840 CA GLN A 53 2.642 -17.980 -1.515 1.00 63.05 C ATOM 841 C GLN A 53 3.639 -19.132 -1.442 1.00 31.52 C ATOM 842 O GLN A 53 3.253 -20.302 -1.454 1.00 43.42 O ATOM 843 CB GLN A 53 2.249 -17.539 -0.105 1.00 21.35 C ATOM 844 CG GLN A 53 2.937 -16.261 0.348 1.00 51.34 C ATOM 845 CD GLN A 53 3.753 -16.453 1.610 1.00 13.11 C ATOM 846 OE1 GLN A 53 3.443 -15.880 2.656 1.00 31.44 O ATOM 847 NE2 GLN A 53 4.802 -17.261 1.521 1.00 1.42 N ATOM 0 H GLN A 53 0.749 -18.855 -1.731 1.00 45.12 H new ATOM 0 HA GLN A 53 3.117 -17.144 -2.029 1.00 63.05 H new ATOM 0 HB2 GLN A 53 1.169 -17.394 -0.067 1.00 21.35 H new ATOM 0 HB3 GLN A 53 2.488 -18.338 0.596 1.00 21.35 H new ATOM 0 HG2 GLN A 53 3.587 -15.901 -0.449 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.186 -15.490 0.519 1.00 51.34 H new ATOM 0 HE21 GLN A 53 5.022 -17.715 0.635 1.00 1.42 H new ATOM 0 HE22 GLN A 53 5.388 -17.428 2.339 1.00 1.42 H new ATOM 856 N GLY A 54 4.923 -18.795 -1.365 1.00 60.23 N ATOM 857 CA GLY A 54 5.955 -19.813 -1.291 1.00 32.11 C ATOM 858 C GLY A 54 6.516 -20.170 -2.653 1.00 61.12 C ATOM 859 O GLY A 54 6.467 -19.364 -3.584 1.00 34.53 O ATOM 0 H GLY A 54 5.267 -17.835 -1.353 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.763 -19.461 -0.650 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.545 -20.709 -0.824 1.00 32.11 H new ATOM 863 N VAL A 55 7.052 -21.380 -2.772 1.00 63.32 N ATOM 864 CA VAL A 55 7.627 -21.842 -4.030 1.00 0.23 C ATOM 865 C VAL A 55 6.972 -23.140 -4.490 1.00 31.05 C ATOM 866 O VAL A 55 6.565 -23.965 -3.672 1.00 13.53 O ATOM 867 CB VAL A 55 9.146 -22.062 -3.906 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.450 -23.116 -2.854 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.738 -22.453 -5.251 1.00 61.54 C ATOM 0 H VAL A 55 7.100 -22.059 -2.012 1.00 63.32 H new ATOM 0 HA VAL A 55 7.440 -21.062 -4.768 1.00 0.23 H new ATOM 0 HB VAL A 55 9.606 -21.126 -3.590 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.528 -23.257 -2.781 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.061 -22.790 -1.889 1.00 35.12 H new ATOM 0 HG13 VAL A 55 8.979 -24.058 -3.136 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.812 -22.605 -5.145 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.274 -23.376 -5.598 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.553 -21.659 -5.975 1.00 61.54 H new ATOM 879 N PHE A 56 6.875 -23.315 -5.803 1.00 21.01 N ATOM 880 CA PHE A 56 6.270 -24.513 -6.372 1.00 21.13 C ATOM 881 C PHE A 56 7.242 -25.688 -6.324 1.00 72.32 C ATOM 882 O PHE A 56 8.447 -25.506 -6.152 1.00 54.15 O ATOM 883 CB PHE A 56 5.836 -24.254 -7.817 1.00 15.22 C ATOM 884 CG PHE A 56 4.936 -25.321 -8.372 1.00 13.30 C ATOM 885 CD1 PHE A 56 3.803 -25.719 -7.682 1.00 53.50 C ATOM 886 CD2 PHE A 56 5.224 -25.926 -9.585 1.00 11.02 C ATOM 887 CE1 PHE A 56 2.972 -26.699 -8.191 1.00 22.55 C ATOM 888 CE2 PHE A 56 4.397 -26.907 -10.099 1.00 40.34 C ATOM 889 CZ PHE A 56 3.271 -27.295 -9.400 1.00 32.22 C ATOM 0 H PHE A 56 7.208 -22.642 -6.494 1.00 21.01 H new ATOM 0 HA PHE A 56 5.393 -24.765 -5.776 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.322 -23.294 -7.867 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.723 -24.174 -8.446 1.00 15.22 H new ATOM 0 HD1 PHE A 56 3.566 -25.258 -6.735 1.00 53.50 H new ATOM 0 HD2 PHE A 56 6.104 -25.628 -10.135 1.00 11.02 H new ATOM 0 HE1 PHE A 56 2.090 -26.998 -7.644 1.00 22.55 H new ATOM 0 HE2 PHE A 56 4.631 -27.370 -11.046 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.625 -28.064 -9.798 1.00 32.22 H new ATOM 899 N ALA A 57 6.708 -26.896 -6.478 1.00 32.10 N ATOM 900 CA ALA A 57 7.527 -28.102 -6.454 1.00 4.40 C ATOM 901 C ALA A 57 8.581 -28.072 -7.555 1.00 45.14 C ATOM 902 O ALA A 57 9.666 -28.634 -7.405 1.00 5.11 O ATOM 903 CB ALA A 57 6.651 -29.338 -6.594 1.00 15.14 C ATOM 0 H ALA A 57 5.712 -27.065 -6.621 1.00 32.10 H new ATOM 0 HA ALA A 57 8.042 -28.142 -5.494 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.276 -30.231 -6.574 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.939 -29.375 -5.769 1.00 15.14 H new ATOM 0 HB3 ALA A 57 6.109 -29.295 -7.539 1.00 15.14 H new ATOM 909 N SER A 58 8.255 -27.413 -8.662 1.00 54.32 N ATOM 910 CA SER A 58 9.173 -27.313 -9.792 1.00 12.25 C ATOM 911 C SER A 58 8.567 -26.471 -10.911 1.00 23.03 C ATOM 912 O SER A 58 8.033 -26.987 -11.891 1.00 74.33 O ATOM 913 CB SER A 58 9.520 -28.706 -10.318 1.00 24.15 C ATOM 914 OG SER A 58 10.083 -28.635 -11.616 1.00 63.33 O ATOM 0 H SER A 58 7.362 -26.940 -8.801 1.00 54.32 H new ATOM 0 HA SER A 58 10.084 -26.825 -9.446 1.00 12.25 H new ATOM 0 HB2 SER A 58 10.223 -29.190 -9.639 1.00 24.15 H new ATOM 0 HB3 SER A 58 8.622 -29.324 -10.341 1.00 24.15 H new ATOM 0 HG SER A 58 9.410 -28.303 -12.247 1.00 63.33 H new ATOM 920 N PRO A 59 8.654 -25.140 -10.761 1.00 64.12 N ATOM 921 CA PRO A 59 8.122 -24.197 -11.749 1.00 73.32 C ATOM 922 C PRO A 59 8.923 -24.202 -13.047 1.00 23.22 C ATOM 923 O PRO A 59 10.141 -24.375 -13.034 1.00 4.44 O ATOM 924 CB PRO A 59 8.246 -22.841 -11.049 1.00 61.42 C ATOM 925 CG PRO A 59 9.354 -23.023 -10.070 1.00 4.13 C ATOM 926 CD PRO A 59 9.278 -24.455 -9.618 1.00 10.03 C ATOM 0 HA PRO A 59 7.103 -24.448 -12.044 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.472 -22.047 -11.761 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.317 -22.566 -10.550 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.319 -22.810 -10.529 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.245 -22.341 -9.226 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.266 -24.860 -9.397 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.681 -24.559 -8.712 1.00 10.03 H new ATOM 934 N ASP A 60 8.231 -24.012 -14.165 1.00 20.31 N ATOM 935 CA ASP A 60 8.879 -23.993 -15.470 1.00 71.05 C ATOM 936 C ASP A 60 9.878 -22.844 -15.565 1.00 72.31 C ATOM 937 O ASP A 60 10.854 -22.916 -16.313 1.00 5.43 O ATOM 938 CB ASP A 60 7.834 -23.869 -16.581 1.00 60.31 C ATOM 939 CG ASP A 60 8.217 -24.644 -17.826 1.00 74.41 C ATOM 940 OD1 ASP A 60 7.310 -24.984 -18.615 1.00 62.40 O ATOM 941 OD2 ASP A 60 9.423 -24.911 -18.010 1.00 72.43 O1- ATOM 0 H ASP A 60 7.221 -23.869 -14.193 1.00 20.31 H new ATOM 0 HA ASP A 60 9.419 -24.932 -15.593 1.00 71.05 H new ATOM 0 HB2 ASP A 60 6.873 -24.229 -16.214 1.00 60.31 H new ATOM 0 HB3 ASP A 60 7.703 -22.818 -16.837 1.00 60.31 H new ATOM 946 N VAL A 61 9.627 -21.784 -14.804 1.00 23.13 N ATOM 947 CA VAL A 61 10.504 -20.620 -14.801 1.00 4.42 C ATOM 948 C VAL A 61 10.458 -19.900 -13.458 1.00 2.01 C ATOM 949 O VAL A 61 9.426 -19.878 -12.787 1.00 3.25 O ATOM 950 CB VAL A 61 10.123 -19.627 -15.916 1.00 33.32 C ATOM 951 CG1 VAL A 61 10.969 -18.367 -15.823 1.00 0.55 C ATOM 952 CG2 VAL A 61 10.271 -20.278 -17.283 1.00 33.43 C ATOM 0 H VAL A 61 8.823 -21.707 -14.181 1.00 23.13 H new ATOM 0 HA VAL A 61 11.515 -20.986 -14.980 1.00 4.42 H new ATOM 0 HB VAL A 61 9.079 -19.345 -15.784 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.685 -17.678 -16.619 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.807 -17.891 -14.856 1.00 0.55 H new ATOM 0 HG13 VAL A 61 12.022 -18.627 -15.927 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.998 -19.562 -18.058 1.00 33.43 H new ATOM 0 HG22 VAL A 61 11.305 -20.591 -17.427 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.616 -21.147 -17.345 1.00 33.43 H new ATOM 962 N THR A 62 11.585 -19.310 -13.070 1.00 50.24 N ATOM 963 CA THR A 62 11.675 -18.590 -11.807 1.00 14.23 C ATOM 964 C THR A 62 12.216 -17.179 -12.015 1.00 31.34 C ATOM 965 O THR A 62 13.401 -16.993 -12.288 1.00 52.43 O ATOM 966 CB THR A 62 12.576 -19.330 -10.800 1.00 64.24 C ATOM 967 OG1 THR A 62 12.034 -20.625 -10.519 1.00 4.13 O ATOM 968 CG2 THR A 62 12.709 -18.538 -9.508 1.00 53.40 C ATOM 0 H THR A 62 12.448 -19.317 -13.613 1.00 50.24 H new ATOM 0 HA THR A 62 10.664 -18.533 -11.404 1.00 14.23 H new ATOM 0 HB THR A 62 13.566 -19.439 -11.243 1.00 64.24 H new ATOM 0 HG1 THR A 62 12.613 -21.090 -9.880 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.350 -19.081 -8.813 1.00 53.40 H new ATOM 0 HG22 THR A 62 13.149 -17.564 -9.722 1.00 53.40 H new ATOM 0 HG23 THR A 62 11.724 -18.401 -9.062 1.00 53.40 H new ATOM 976 N VAL A 63 11.340 -16.188 -11.881 1.00 71.42 N ATOM 977 CA VAL A 63 11.730 -14.795 -12.053 1.00 52.44 C ATOM 978 C VAL A 63 12.267 -14.210 -10.752 1.00 12.25 C ATOM 979 O VAL A 63 11.747 -14.488 -9.671 1.00 15.12 O ATOM 980 CB VAL A 63 10.548 -13.936 -12.539 1.00 74.33 C ATOM 981 CG1 VAL A 63 9.586 -13.654 -11.395 1.00 23.22 C ATOM 982 CG2 VAL A 63 11.049 -12.640 -13.156 1.00 54.53 C ATOM 0 H VAL A 63 10.355 -16.325 -11.654 1.00 71.42 H new ATOM 0 HA VAL A 63 12.516 -14.778 -12.808 1.00 52.44 H new ATOM 0 HB VAL A 63 10.009 -14.492 -13.306 1.00 74.33 H new ATOM 0 HG11 VAL A 63 8.757 -13.046 -11.758 1.00 23.22 H new ATOM 0 HG12 VAL A 63 9.201 -14.595 -11.003 1.00 23.22 H new ATOM 0 HG13 VAL A 63 10.110 -13.118 -10.603 1.00 23.22 H new ATOM 0 HG21 VAL A 63 10.200 -12.046 -13.494 1.00 54.53 H new ATOM 0 HG22 VAL A 63 11.613 -12.077 -12.412 1.00 54.53 H new ATOM 0 HG23 VAL A 63 11.694 -12.867 -14.005 1.00 54.53 H new ATOM 992 N THR A 64 13.313 -13.396 -10.862 1.00 21.22 N ATOM 993 CA THR A 64 13.922 -12.773 -9.694 1.00 44.01 C ATOM 994 C THR A 64 13.910 -11.253 -9.814 1.00 25.10 C ATOM 995 O THR A 64 14.652 -10.677 -10.611 1.00 72.04 O ATOM 996 CB THR A 64 15.373 -13.249 -9.495 1.00 34.33 C ATOM 997 OG1 THR A 64 15.684 -14.279 -10.440 1.00 1.35 O ATOM 998 CG2 THR A 64 15.582 -13.771 -8.081 1.00 73.53 C ATOM 0 H THR A 64 13.755 -13.153 -11.748 1.00 21.22 H new ATOM 0 HA THR A 64 13.328 -13.072 -8.830 1.00 44.01 H new ATOM 0 HB THR A 64 16.036 -12.399 -9.653 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.609 -14.575 -10.308 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.614 -14.102 -7.964 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.372 -12.976 -7.365 1.00 73.53 H new ATOM 0 HG23 THR A 64 14.910 -14.610 -7.900 1.00 73.53 H new ATOM 1006 N VAL A 65 13.065 -10.607 -9.017 1.00 24.10 N ATOM 1007 CA VAL A 65 12.958 -9.154 -9.033 1.00 44.40 C ATOM 1008 C VAL A 65 12.976 -8.585 -7.617 1.00 72.43 C ATOM 1009 O VAL A 65 12.434 -9.185 -6.690 1.00 51.43 O ATOM 1010 CB VAL A 65 11.673 -8.692 -9.743 1.00 33.51 C ATOM 1011 CG1 VAL A 65 11.502 -7.186 -9.614 1.00 53.11 C ATOM 1012 CG2 VAL A 65 11.692 -9.111 -11.205 1.00 61.51 C ATOM 0 H VAL A 65 12.444 -11.068 -8.352 1.00 24.10 H new ATOM 0 HA VAL A 65 13.822 -8.780 -9.583 1.00 44.40 H new ATOM 0 HB VAL A 65 10.821 -9.172 -9.262 1.00 33.51 H new ATOM 0 HG11 VAL A 65 10.588 -6.879 -10.122 1.00 53.11 H new ATOM 0 HG12 VAL A 65 11.439 -6.916 -8.560 1.00 53.11 H new ATOM 0 HG13 VAL A 65 12.356 -6.683 -10.067 1.00 53.11 H new ATOM 0 HG21 VAL A 65 10.776 -8.776 -11.691 1.00 61.51 H new ATOM 0 HG22 VAL A 65 12.552 -8.661 -11.701 1.00 61.51 H new ATOM 0 HG23 VAL A 65 11.762 -10.197 -11.271 1.00 61.51 H new ATOM 1022 N GLY A 66 13.604 -7.424 -7.459 1.00 71.14 N ATOM 1023 CA GLY A 66 13.680 -6.794 -6.154 1.00 41.23 C ATOM 1024 C GLY A 66 12.434 -5.995 -5.823 1.00 23.54 C ATOM 1025 O GLY A 66 11.626 -5.698 -6.702 1.00 73.14 O ATOM 0 H GLY A 66 14.061 -6.909 -8.211 1.00 71.14 H new ATOM 0 HA2 GLY A 66 13.830 -7.559 -5.393 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.549 -6.137 -6.121 1.00 41.23 H new ATOM 1029 N LEU A 67 12.279 -5.649 -4.550 1.00 13.24 N ATOM 1030 CA LEU A 67 11.121 -4.882 -4.102 1.00 45.22 C ATOM 1031 C LEU A 67 11.024 -3.556 -4.852 1.00 21.23 C ATOM 1032 O LEU A 67 10.054 -3.307 -5.566 1.00 45.23 O ATOM 1033 CB LEU A 67 11.206 -4.624 -2.596 1.00 52.23 C ATOM 1034 CG LEU A 67 9.873 -4.436 -1.872 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.195 -5.778 -1.644 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.082 -3.711 -0.551 1.00 21.12 C ATOM 0 H LEU A 67 12.940 -5.887 -3.810 1.00 13.24 H new ATOM 0 HA LEU A 67 10.225 -5.466 -4.314 1.00 45.22 H new ATOM 0 HB2 LEU A 67 11.733 -5.458 -2.134 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.814 -3.734 -2.434 1.00 52.23 H new ATOM 0 HG LEU A 67 9.223 -3.826 -2.500 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.248 -5.624 -1.127 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.011 -6.260 -2.604 1.00 15.22 H new ATOM 0 HD13 LEU A 67 9.840 -6.413 -1.037 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.123 -3.586 -0.049 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.750 -4.295 0.083 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.524 -2.732 -0.739 1.00 21.12 H new ATOM 1048 N GLU A 68 12.037 -2.712 -4.684 1.00 23.10 N ATOM 1049 CA GLU A 68 12.065 -1.413 -5.346 1.00 24.34 C ATOM 1050 C GLU A 68 11.815 -1.560 -6.844 1.00 61.31 C ATOM 1051 O GLU A 68 11.222 -0.683 -7.474 1.00 21.23 O ATOM 1052 CB GLU A 68 13.411 -0.724 -5.108 1.00 2.03 C ATOM 1053 CG GLU A 68 13.738 -0.518 -3.638 1.00 62.33 C ATOM 1054 CD GLU A 68 14.335 0.847 -3.359 1.00 54.24 C ATOM 1055 OE1 GLU A 68 15.233 1.269 -4.118 1.00 72.13 O ATOM 1056 OE2 GLU A 68 13.904 1.495 -2.382 1.00 60.41 O1- ATOM 0 H GLU A 68 12.848 -2.904 -4.096 1.00 23.10 H new ATOM 0 HA GLU A 68 11.270 -0.800 -4.921 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.200 -1.319 -5.567 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.408 0.244 -5.610 1.00 2.03 H new ATOM 0 HG2 GLU A 68 12.830 -0.641 -3.047 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.437 -1.289 -3.314 1.00 62.33 H new ATOM 1063 N ASP A 69 12.270 -2.673 -7.408 1.00 20.45 N ATOM 1064 CA ASP A 69 12.095 -2.937 -8.831 1.00 42.22 C ATOM 1065 C ASP A 69 10.622 -3.143 -9.168 1.00 43.43 C ATOM 1066 O ASP A 69 10.112 -2.576 -10.135 1.00 14.14 O ATOM 1067 CB ASP A 69 12.904 -4.167 -9.247 1.00 71.20 C ATOM 1068 CG ASP A 69 14.390 -3.991 -9.007 1.00 61.35 C ATOM 1069 OD1 ASP A 69 15.145 -4.963 -9.221 1.00 51.33 O ATOM 1070 OD2 ASP A 69 14.799 -2.881 -8.607 1.00 23.21 O1- ATOM 0 H ASP A 69 12.763 -3.408 -6.901 1.00 20.45 H new ATOM 0 HA ASP A 69 12.458 -2.070 -9.384 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.550 -5.036 -8.692 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.731 -4.371 -10.304 1.00 71.20 H new ATOM 1075 N MET A 70 9.945 -3.958 -8.366 1.00 54.02 N ATOM 1076 CA MET A 70 8.530 -4.238 -8.580 1.00 40.11 C ATOM 1077 C MET A 70 7.675 -3.030 -8.211 1.00 33.44 C ATOM 1078 O MET A 70 6.650 -2.765 -8.843 1.00 2.01 O ATOM 1079 CB MET A 70 8.098 -5.454 -7.758 1.00 64.44 C ATOM 1080 CG MET A 70 8.244 -6.772 -8.501 1.00 53.12 C ATOM 1081 SD MET A 70 7.037 -8.004 -7.973 1.00 44.35 S ATOM 1082 CE MET A 70 6.743 -8.870 -9.513 1.00 74.02 C ATOM 0 H MET A 70 10.353 -4.436 -7.563 1.00 54.02 H new ATOM 0 HA MET A 70 8.384 -4.454 -9.638 1.00 40.11 H new ATOM 0 HB2 MET A 70 8.691 -5.494 -6.844 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.058 -5.329 -7.458 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.133 -6.596 -9.571 1.00 53.12 H new ATOM 0 HG3 MET A 70 9.249 -7.163 -8.345 1.00 53.12 H new ATOM 0 HE1 MET A 70 5.976 -9.630 -9.362 1.00 74.02 H new ATOM 0 HE2 MET A 70 6.408 -8.162 -10.271 1.00 74.02 H new ATOM 0 HE3 MET A 70 7.666 -9.346 -9.845 1.00 74.02 H new ATOM 1092 N LEU A 71 8.099 -2.302 -7.185 1.00 4.41 N ATOM 1093 CA LEU A 71 7.372 -1.122 -6.730 1.00 52.32 C ATOM 1094 C LEU A 71 7.318 -0.061 -7.824 1.00 50.24 C ATOM 1095 O LEU A 71 6.280 0.559 -8.051 1.00 51.41 O ATOM 1096 CB LEU A 71 8.029 -0.544 -5.475 1.00 73.33 C ATOM 1097 CG LEU A 71 8.052 -1.458 -4.249 1.00 72.22 C ATOM 1098 CD1 LEU A 71 9.231 -1.116 -3.352 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.744 -1.350 -3.479 1.00 30.51 C ATOM 0 H LEU A 71 8.944 -2.508 -6.651 1.00 4.41 H new ATOM 0 HA LEU A 71 6.352 -1.424 -6.491 1.00 52.32 H new ATOM 0 HB2 LEU A 71 9.056 -0.271 -5.719 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.509 0.376 -5.208 1.00 73.33 H new ATOM 0 HG LEU A 71 8.166 -2.488 -4.588 1.00 72.22 H new ATOM 0 HD11 LEU A 71 9.232 -1.776 -2.485 1.00 1.03 H new ATOM 0 HD12 LEU A 71 10.160 -1.245 -3.907 1.00 1.03 H new ATOM 0 HD13 LEU A 71 9.148 -0.081 -3.020 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.778 -2.007 -2.610 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.599 -0.321 -3.150 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.916 -1.645 -4.124 1.00 30.51 H new ATOM 1111 N ALA A 72 8.445 0.141 -8.501 1.00 72.12 N ATOM 1112 CA ALA A 72 8.525 1.124 -9.575 1.00 10.33 C ATOM 1113 C ALA A 72 7.480 0.848 -10.651 1.00 3.31 C ATOM 1114 O ALA A 72 6.882 1.775 -11.200 1.00 20.22 O ATOM 1115 CB ALA A 72 9.921 1.131 -10.180 1.00 1.25 C ATOM 0 H ALA A 72 9.314 -0.363 -8.324 1.00 72.12 H new ATOM 0 HA ALA A 72 8.320 2.107 -9.151 1.00 10.33 H new ATOM 0 HB1 ALA A 72 9.967 1.869 -10.981 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.650 1.385 -9.410 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.148 0.144 -10.583 1.00 1.25 H new ATOM 1121 N ILE A 73 7.267 -0.429 -10.948 1.00 10.35 N ATOM 1122 CA ILE A 73 6.294 -0.825 -11.958 1.00 70.44 C ATOM 1123 C ILE A 73 4.871 -0.730 -11.419 1.00 3.41 C ATOM 1124 O ILE A 73 4.042 0.006 -11.953 1.00 51.33 O ATOM 1125 CB ILE A 73 6.549 -2.262 -12.453 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.041 -2.479 -12.709 1.00 5.34 C ATOM 1127 CG2 ILE A 73 5.744 -2.539 -13.713 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.363 -3.836 -13.294 1.00 20.44 C ATOM 0 H ILE A 73 7.755 -1.207 -10.504 1.00 10.35 H new ATOM 0 HA ILE A 73 6.409 -0.135 -12.794 1.00 70.44 H new ATOM 0 HB ILE A 73 6.227 -2.959 -11.680 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.401 -1.705 -13.387 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.583 -2.359 -11.771 1.00 5.34 H new ATOM 0 HG21 ILE A 73 5.935 -3.558 -14.050 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.682 -2.421 -13.499 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.038 -1.837 -14.494 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.439 -3.919 -13.449 1.00 20.44 H new ATOM 0 HD12 ILE A 73 8.034 -4.616 -12.607 1.00 20.44 H new ATOM 0 HD13 ILE A 73 7.849 -3.952 -14.248 1.00 20.44 H new ATOM 1140 N SER A 74 4.596 -1.478 -10.356 1.00 34.22 N ATOM 1141 CA SER A 74 3.272 -1.480 -9.745 1.00 34.44 C ATOM 1142 C SER A 74 2.843 -0.064 -9.373 1.00 12.00 C ATOM 1143 O SER A 74 1.652 0.232 -9.281 1.00 4.54 O ATOM 1144 CB SER A 74 3.263 -2.371 -8.501 1.00 32.15 C ATOM 1145 OG SER A 74 2.576 -1.746 -7.430 1.00 43.53 O ATOM 0 H SER A 74 5.272 -2.091 -9.900 1.00 34.22 H new ATOM 0 HA SER A 74 2.564 -1.876 -10.473 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.787 -3.323 -8.736 1.00 32.15 H new ATOM 0 HB3 SER A 74 4.287 -2.592 -8.201 1.00 32.15 H new ATOM 0 HG SER A 74 1.731 -2.214 -7.266 1.00 43.53 H new ATOM 1151 N GLY A 75 3.824 0.808 -9.160 1.00 30.23 N ATOM 1152 CA GLY A 75 3.530 2.183 -8.799 1.00 71.54 C ATOM 1153 C GLY A 75 3.038 2.998 -9.979 1.00 52.41 C ATOM 1154 O GLY A 75 2.707 4.176 -9.836 1.00 72.55 O ATOM 0 H GLY A 75 4.817 0.587 -9.231 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.776 2.196 -8.012 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.427 2.648 -8.389 1.00 71.54 H new ATOM 1158 N LYS A 76 2.990 2.372 -11.150 1.00 72.22 N ATOM 1159 CA LYS A 76 2.535 3.046 -12.361 1.00 63.32 C ATOM 1160 C LYS A 76 3.532 4.115 -12.796 1.00 4.25 C ATOM 1161 O LYS A 76 3.266 4.890 -13.715 1.00 51.51 O ATOM 1162 CB LYS A 76 1.160 3.677 -12.132 1.00 43.21 C ATOM 1163 CG LYS A 76 1.197 5.192 -12.024 1.00 10.13 C ATOM 1164 CD LYS A 76 -0.027 5.729 -11.301 1.00 41.34 C ATOM 1165 CE LYS A 76 0.023 7.244 -11.172 1.00 40.22 C ATOM 1166 NZ LYS A 76 1.190 7.694 -10.363 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.261 1.398 -11.286 1.00 72.22 H new ATOM 0 HA LYS A 76 2.458 2.302 -13.154 1.00 63.32 H new ATOM 0 HB2 LYS A 76 0.499 3.395 -12.952 1.00 43.21 H new ATOM 0 HB3 LYS A 76 0.728 3.266 -11.219 1.00 43.21 H new ATOM 0 HG2 LYS A 76 2.098 5.498 -11.493 1.00 10.13 H new ATOM 0 HG3 LYS A 76 1.252 5.628 -13.022 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -0.927 5.438 -11.842 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -0.092 5.280 -10.310 1.00 41.34 H new ATOM 0 HE2 LYS A 76 0.075 7.691 -12.165 1.00 40.22 H new ATOM 0 HE3 LYS A 76 -0.898 7.600 -10.710 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 1.065 8.692 -10.098 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 1.261 7.114 -9.503 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 2.061 7.591 -10.922 1.00 53.25 H new ATOM 1180 N THR A 77 4.682 4.152 -12.129 1.00 13.43 N ATOM 1181 CA THR A 77 5.718 5.126 -12.446 1.00 43.43 C ATOM 1182 C THR A 77 6.661 4.596 -13.520 1.00 63.21 C ATOM 1183 O THR A 77 7.129 5.348 -14.376 1.00 21.54 O ATOM 1184 CB THR A 77 6.539 5.501 -11.197 1.00 71.41 C ATOM 1185 OG1 THR A 77 7.395 4.414 -10.831 1.00 24.34 O ATOM 1186 CG2 THR A 77 5.624 5.847 -10.032 1.00 61.23 C ATOM 0 H THR A 77 4.919 3.518 -11.366 1.00 13.43 H new ATOM 0 HA THR A 77 5.211 6.016 -12.819 1.00 43.43 H new ATOM 0 HB THR A 77 7.144 6.376 -11.435 1.00 71.41 H new ATOM 0 HG1 THR A 77 6.919 3.566 -10.956 1.00 24.34 H new ATOM 0 HG21 THR A 77 6.226 6.108 -9.162 1.00 61.23 H new ATOM 0 HG22 THR A 77 4.993 6.693 -10.304 1.00 61.23 H new ATOM 0 HG23 THR A 77 4.997 4.988 -9.794 1.00 61.23 H new ATOM 1194 N LEU A 78 6.936 3.298 -13.469 1.00 61.23 N ATOM 1195 CA LEU A 78 7.823 2.666 -14.440 1.00 64.41 C ATOM 1196 C LEU A 78 7.131 1.494 -15.130 1.00 4.21 C ATOM 1197 O LEU A 78 6.055 1.063 -14.714 1.00 64.35 O ATOM 1198 CB LEU A 78 9.103 2.183 -13.752 1.00 40.00 C ATOM 1199 CG LEU A 78 10.319 1.989 -14.658 1.00 14.14 C ATOM 1200 CD1 LEU A 78 11.505 2.786 -14.137 1.00 21.42 C ATOM 1201 CD2 LEU A 78 10.672 0.513 -14.767 1.00 52.03 C ATOM 0 H LEU A 78 6.558 2.662 -12.766 1.00 61.23 H new ATOM 0 HA LEU A 78 8.080 3.408 -15.196 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.366 2.899 -12.973 1.00 40.00 H new ATOM 0 HB3 LEU A 78 8.890 1.236 -13.256 1.00 40.00 H new ATOM 0 HG LEU A 78 10.070 2.357 -15.653 1.00 14.14 H new ATOM 0 HD11 LEU A 78 12.361 2.636 -14.794 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.249 3.845 -14.111 1.00 21.42 H new ATOM 0 HD13 LEU A 78 11.756 2.449 -13.131 1.00 21.42 H new ATOM 0 HD21 LEU A 78 11.540 0.393 -15.416 1.00 52.03 H new ATOM 0 HD22 LEU A 78 10.902 0.120 -13.777 1.00 52.03 H new ATOM 0 HD23 LEU A 78 9.827 -0.033 -15.187 1.00 52.03 H new ATOM 1213 N THR A 79 7.757 0.982 -16.185 1.00 53.44 N ATOM 1214 CA THR A 79 7.202 -0.140 -16.932 1.00 2.24 C ATOM 1215 C THR A 79 8.207 -1.280 -17.039 1.00 31.21 C ATOM 1216 O THR A 79 9.413 -1.074 -16.901 1.00 53.42 O ATOM 1217 CB THR A 79 6.773 0.286 -18.349 1.00 73.11 C ATOM 1218 OG1 THR A 79 7.928 0.482 -19.172 1.00 25.35 O ATOM 1219 CG2 THR A 79 5.953 1.567 -18.304 1.00 71.32 C ATOM 0 H THR A 79 8.648 1.326 -16.541 1.00 53.44 H new ATOM 0 HA THR A 79 6.325 -0.483 -16.382 1.00 2.24 H new ATOM 0 HB THR A 79 6.156 -0.507 -18.772 1.00 73.11 H new ATOM 0 HG1 THR A 79 7.647 0.751 -20.071 1.00 25.35 H new ATOM 0 HG21 THR A 79 5.662 1.848 -19.316 1.00 71.32 H new ATOM 0 HG22 THR A 79 5.060 1.406 -17.701 1.00 71.32 H new ATOM 0 HG23 THR A 79 6.550 2.366 -17.863 1.00 71.32 H new ATOM 1227 N VAL A 80 7.703 -2.486 -17.286 1.00 5.33 N ATOM 1228 CA VAL A 80 8.559 -3.660 -17.412 1.00 10.20 C ATOM 1229 C VAL A 80 9.671 -3.423 -18.428 1.00 63.11 C ATOM 1230 O VAL A 80 10.809 -3.844 -18.227 1.00 72.02 O ATOM 1231 CB VAL A 80 7.749 -4.901 -17.835 1.00 1.42 C ATOM 1232 CG1 VAL A 80 8.667 -6.100 -18.016 1.00 32.31 C ATOM 1233 CG2 VAL A 80 6.662 -5.200 -16.813 1.00 54.23 C ATOM 0 H VAL A 80 6.707 -2.675 -17.403 1.00 5.33 H new ATOM 0 HA VAL A 80 8.999 -3.838 -16.431 1.00 10.20 H new ATOM 0 HB VAL A 80 7.269 -4.693 -18.791 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.078 -6.967 -18.315 1.00 32.31 H new ATOM 0 HG12 VAL A 80 9.405 -5.880 -18.787 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.176 -6.313 -17.076 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.099 -6.079 -17.127 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.118 -5.389 -15.841 1.00 54.23 H new ATOM 0 HG23 VAL A 80 5.989 -4.346 -16.738 1.00 54.23 H new ATOM 1243 N GLY A 81 9.333 -2.744 -19.520 1.00 1.42 N ATOM 1244 CA GLY A 81 10.314 -2.461 -20.551 1.00 4.53 C ATOM 1245 C GLY A 81 11.564 -1.803 -19.998 1.00 72.43 C ATOM 1246 O GLY A 81 12.674 -2.294 -20.204 1.00 54.32 O ATOM 0 H GLY A 81 8.397 -2.385 -19.709 1.00 1.42 H new ATOM 0 HA2 GLY A 81 10.587 -3.389 -21.053 1.00 4.53 H new ATOM 0 HA3 GLY A 81 9.868 -1.811 -21.304 1.00 4.53 H new ATOM 1250 N ASP A 82 11.383 -0.690 -19.296 1.00 14.13 N ATOM 1251 CA ASP A 82 12.505 0.037 -18.713 1.00 21.43 C ATOM 1252 C ASP A 82 13.316 -0.868 -17.791 1.00 23.42 C ATOM 1253 O ASP A 82 14.524 -1.028 -17.967 1.00 72.21 O ATOM 1254 CB ASP A 82 12.003 1.256 -17.939 1.00 22.14 C ATOM 1255 CG ASP A 82 12.355 2.562 -18.624 1.00 13.02 C ATOM 1256 OD1 ASP A 82 11.458 3.164 -19.251 1.00 14.15 O ATOM 1257 OD2 ASP A 82 13.527 2.981 -18.532 1.00 41.32 O1- ATOM 0 H ASP A 82 10.470 -0.271 -19.117 1.00 14.13 H new ATOM 0 HA ASP A 82 13.151 0.373 -19.524 1.00 21.43 H new ATOM 0 HB2 ASP A 82 10.921 1.189 -17.824 1.00 22.14 H new ATOM 0 HB3 ASP A 82 12.431 1.248 -16.937 1.00 22.14 H new ATOM 1262 N ALA A 83 12.645 -1.457 -16.805 1.00 45.42 N ATOM 1263 CA ALA A 83 13.305 -2.344 -15.857 1.00 21.54 C ATOM 1264 C ALA A 83 14.084 -3.438 -16.578 1.00 74.42 C ATOM 1265 O ALA A 83 15.196 -3.789 -16.180 1.00 71.11 O ATOM 1266 CB ALA A 83 12.283 -2.959 -14.911 1.00 12.34 C ATOM 0 H ALA A 83 11.645 -1.335 -16.643 1.00 45.42 H new ATOM 0 HA ALA A 83 14.013 -1.752 -15.277 1.00 21.54 H new ATOM 0 HB1 ALA A 83 12.790 -3.620 -14.208 1.00 12.34 H new ATOM 0 HB2 ALA A 83 11.773 -2.167 -14.362 1.00 12.34 H new ATOM 0 HB3 ALA A 83 11.554 -3.531 -15.485 1.00 12.34 H new ATOM 1272 N LEU A 84 13.495 -3.975 -17.641 1.00 41.30 N ATOM 1273 CA LEU A 84 14.134 -5.030 -18.419 1.00 72.41 C ATOM 1274 C LEU A 84 15.538 -4.617 -18.847 1.00 23.24 C ATOM 1275 O LEU A 84 16.506 -5.346 -18.626 1.00 61.34 O ATOM 1276 CB LEU A 84 13.292 -5.365 -19.651 1.00 54.12 C ATOM 1277 CG LEU A 84 12.882 -6.830 -19.807 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.096 -7.694 -20.108 1.00 35.23 C ATOM 1279 CD2 LEU A 84 12.171 -7.321 -18.554 1.00 24.15 C ATOM 0 H LEU A 84 12.575 -3.697 -17.984 1.00 41.30 H new ATOM 0 HA LEU A 84 14.212 -5.915 -17.788 1.00 72.41 H new ATOM 0 HB2 LEU A 84 12.388 -4.757 -19.625 1.00 54.12 H new ATOM 0 HB3 LEU A 84 13.850 -5.068 -20.539 1.00 54.12 H new ATOM 0 HG LEU A 84 12.190 -6.907 -20.646 1.00 10.02 H new ATOM 0 HD11 LEU A 84 13.785 -8.733 -20.216 1.00 35.23 H new ATOM 0 HD12 LEU A 84 14.562 -7.357 -21.034 1.00 35.23 H new ATOM 0 HD13 LEU A 84 14.812 -7.612 -19.291 1.00 35.23 H new ATOM 0 HD21 LEU A 84 11.886 -8.365 -18.683 1.00 24.15 H new ATOM 0 HD22 LEU A 84 12.839 -7.230 -17.697 1.00 24.15 H new ATOM 0 HD23 LEU A 84 11.278 -6.720 -18.383 1.00 24.15 H new ATOM 1291 N LYS A 85 15.644 -3.442 -19.458 1.00 13.23 N ATOM 1292 CA LYS A 85 16.930 -2.929 -19.913 1.00 53.44 C ATOM 1293 C LYS A 85 17.901 -2.779 -18.746 1.00 73.11 C ATOM 1294 O LYS A 85 19.055 -3.198 -18.830 1.00 1.12 O ATOM 1295 CB LYS A 85 16.745 -1.580 -20.613 1.00 25.42 C ATOM 1296 CG LYS A 85 17.273 -1.557 -22.037 1.00 52.24 C ATOM 1297 CD LYS A 85 16.358 -0.768 -22.958 1.00 12.13 C ATOM 1298 CE LYS A 85 15.609 -1.682 -23.916 1.00 30.01 C ATOM 1299 NZ LYS A 85 16.474 -2.132 -25.042 1.00 0.02 N1+ ATOM 0 H LYS A 85 14.853 -2.827 -19.650 1.00 13.23 H new ATOM 0 HA LYS A 85 17.348 -3.645 -20.620 1.00 53.44 H new ATOM 0 HB2 LYS A 85 15.685 -1.328 -20.623 1.00 25.42 H new ATOM 0 HB3 LYS A 85 17.251 -0.807 -20.034 1.00 25.42 H new ATOM 0 HG2 LYS A 85 18.270 -1.117 -22.049 1.00 52.24 H new ATOM 0 HG3 LYS A 85 17.370 -2.578 -22.407 1.00 52.24 H new ATOM 0 HD2 LYS A 85 15.644 -0.199 -22.363 1.00 12.13 H new ATOM 0 HD3 LYS A 85 16.946 -0.047 -23.526 1.00 12.13 H new ATOM 0 HE2 LYS A 85 15.238 -2.551 -23.373 1.00 30.01 H new ATOM 0 HE3 LYS A 85 14.739 -1.158 -24.313 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 15.928 -2.753 -25.673 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 16.808 -1.304 -25.575 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 17.291 -2.654 -24.665 1.00 0.02 H new ATOM 1313 N GLN A 86 17.424 -2.181 -17.660 1.00 11.43 N ATOM 1314 CA GLN A 86 18.251 -1.977 -16.475 1.00 53.23 C ATOM 1315 C GLN A 86 18.693 -3.311 -15.885 1.00 21.22 C ATOM 1316 O GLN A 86 19.695 -3.385 -15.173 1.00 41.42 O ATOM 1317 CB GLN A 86 17.485 -1.170 -15.426 1.00 12.42 C ATOM 1318 CG GLN A 86 16.878 0.114 -15.969 1.00 73.05 C ATOM 1319 CD GLN A 86 16.729 1.184 -14.906 1.00 42.21 C ATOM 1320 OE1 GLN A 86 17.627 2.003 -14.703 1.00 72.11 O ATOM 1321 NE2 GLN A 86 15.591 1.186 -14.222 1.00 61.43 N ATOM 0 H GLN A 86 16.470 -1.829 -17.575 1.00 11.43 H new ATOM 0 HA GLN A 86 19.139 -1.420 -16.773 1.00 53.23 H new ATOM 0 HB2 GLN A 86 16.691 -1.791 -15.011 1.00 12.42 H new ATOM 0 HB3 GLN A 86 18.159 -0.925 -14.605 1.00 12.42 H new ATOM 0 HG2 GLN A 86 17.504 0.494 -16.776 1.00 73.05 H new ATOM 0 HG3 GLN A 86 15.900 -0.104 -16.399 1.00 73.05 H new ATOM 0 HE21 GLN A 86 14.874 0.489 -14.423 1.00 61.43 H new ATOM 0 HE22 GLN A 86 15.434 1.885 -13.496 1.00 61.43 H new ATOM 1330 N GLY A 87 17.940 -4.365 -16.185 1.00 0.43 N ATOM 1331 CA GLY A 87 18.270 -5.683 -15.675 1.00 2.32 C ATOM 1332 C GLY A 87 17.723 -5.919 -14.281 1.00 44.42 C ATOM 1333 O GLY A 87 18.338 -6.618 -13.475 1.00 32.22 O ATOM 0 H GLY A 87 17.107 -4.329 -16.772 1.00 0.43 H new ATOM 0 HA2 GLY A 87 17.873 -6.441 -16.351 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.353 -5.803 -15.662 1.00 2.32 H new ATOM 1337 N LYS A 88 16.566 -5.333 -13.994 1.00 21.33 N ATOM 1338 CA LYS A 88 15.935 -5.482 -12.688 1.00 11.34 C ATOM 1339 C LYS A 88 15.262 -6.845 -12.561 1.00 1.12 C ATOM 1340 O LYS A 88 15.214 -7.425 -11.475 1.00 61.44 O ATOM 1341 CB LYS A 88 14.907 -4.370 -12.465 1.00 75.34 C ATOM 1342 CG LYS A 88 15.470 -2.973 -12.657 1.00 24.51 C ATOM 1343 CD LYS A 88 16.158 -2.471 -11.398 1.00 73.13 C ATOM 1344 CE LYS A 88 17.607 -2.097 -11.667 1.00 11.13 C ATOM 1345 NZ LYS A 88 18.271 -1.547 -10.452 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.045 -4.750 -14.649 1.00 21.33 H new ATOM 0 HA LYS A 88 16.712 -5.408 -11.927 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.074 -4.514 -13.152 1.00 75.34 H new ATOM 0 HB3 LYS A 88 14.506 -4.455 -11.455 1.00 75.34 H new ATOM 0 HG2 LYS A 88 16.180 -2.976 -13.484 1.00 24.51 H new ATOM 0 HG3 LYS A 88 14.666 -2.290 -12.930 1.00 24.51 H new ATOM 0 HD2 LYS A 88 15.623 -1.604 -11.011 1.00 73.13 H new ATOM 0 HD3 LYS A 88 16.117 -3.241 -10.628 1.00 73.13 H new ATOM 0 HE2 LYS A 88 18.151 -2.976 -12.012 1.00 11.13 H new ATOM 0 HE3 LYS A 88 17.649 -1.360 -12.469 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 19.257 -1.304 -10.675 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 17.767 -0.694 -10.137 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 18.253 -2.259 -9.694 1.00 30.44 H new ATOM 1359 N ILE A 89 14.745 -7.351 -13.676 1.00 4.34 N ATOM 1360 CA ILE A 89 14.078 -8.646 -13.689 1.00 61.10 C ATOM 1361 C ILE A 89 15.040 -9.756 -14.099 1.00 40.34 C ATOM 1362 O ILE A 89 15.641 -9.703 -15.172 1.00 73.31 O ATOM 1363 CB ILE A 89 12.871 -8.648 -14.645 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.075 -7.350 -14.499 1.00 63.53 C ATOM 1365 CG2 ILE A 89 11.983 -9.854 -14.374 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.013 -7.169 -15.561 1.00 63.11 C ATOM 0 H ILE A 89 14.776 -6.883 -14.582 1.00 4.34 H new ATOM 0 HA ILE A 89 13.727 -8.830 -12.674 1.00 61.10 H new ATOM 0 HB ILE A 89 13.237 -8.714 -15.669 1.00 34.53 H new ATOM 0 HG12 ILE A 89 11.602 -7.332 -13.517 1.00 63.53 H new ATOM 0 HG13 ILE A 89 12.763 -6.505 -14.537 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.134 -9.842 -15.058 1.00 22.12 H new ATOM 0 HG22 ILE A 89 12.556 -10.769 -14.524 1.00 22.12 H new ATOM 0 HG23 ILE A 89 11.622 -9.816 -13.346 1.00 22.12 H new ATOM 0 HD11 ILE A 89 10.489 -6.228 -15.395 1.00 63.11 H new ATOM 0 HD12 ILE A 89 11.481 -7.155 -16.545 1.00 63.11 H new ATOM 0 HD13 ILE A 89 10.302 -7.994 -15.509 1.00 63.11 H new ATOM 1378 N GLU A 90 15.179 -10.760 -13.239 1.00 44.31 N ATOM 1379 CA GLU A 90 16.067 -11.884 -13.515 1.00 3.44 C ATOM 1380 C GLU A 90 15.271 -13.119 -13.925 1.00 63.21 C ATOM 1381 O GLU A 90 14.136 -13.313 -13.489 1.00 12.42 O ATOM 1382 CB GLU A 90 16.922 -12.198 -12.285 1.00 21.54 C ATOM 1383 CG GLU A 90 18.376 -11.784 -12.432 1.00 21.32 C ATOM 1384 CD GLU A 90 19.340 -12.895 -12.060 1.00 53.14 C ATOM 1385 OE1 GLU A 90 19.210 -14.005 -12.620 1.00 2.24 O ATOM 1386 OE2 GLU A 90 20.223 -12.655 -11.210 1.00 73.11 O1- ATOM 0 H GLU A 90 14.689 -10.818 -12.346 1.00 44.31 H new ATOM 0 HA GLU A 90 16.720 -11.605 -14.342 1.00 3.44 H new ATOM 0 HB2 GLU A 90 16.495 -11.693 -11.418 1.00 21.54 H new ATOM 0 HB3 GLU A 90 16.876 -13.269 -12.085 1.00 21.54 H new ATOM 0 HG2 GLU A 90 18.560 -11.478 -13.462 1.00 21.32 H new ATOM 0 HG3 GLU A 90 18.568 -10.915 -11.802 1.00 21.32 H new ATOM 1393 N LEU A 91 15.874 -13.951 -14.767 1.00 41.35 N ATOM 1394 CA LEU A 91 15.223 -15.168 -15.238 1.00 12.31 C ATOM 1395 C LEU A 91 16.107 -16.387 -14.996 1.00 71.23 C ATOM 1396 O LEU A 91 17.319 -16.337 -15.202 1.00 24.34 O ATOM 1397 CB LEU A 91 14.893 -15.049 -16.728 1.00 34.35 C ATOM 1398 CG LEU A 91 15.996 -14.473 -17.615 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.806 -15.591 -18.254 1.00 21.14 C ATOM 1400 CD2 LEU A 91 15.403 -13.566 -18.683 1.00 15.23 C ATOM 0 H LEU A 91 16.813 -13.805 -15.138 1.00 41.35 H new ATOM 0 HA LEU A 91 14.298 -15.297 -14.677 1.00 12.31 H new ATOM 0 HB2 LEU A 91 14.633 -16.039 -17.102 1.00 34.35 H new ATOM 0 HB3 LEU A 91 14.006 -14.425 -16.834 1.00 34.35 H new ATOM 0 HG LEU A 91 16.663 -13.879 -16.991 1.00 43.14 H new ATOM 0 HD11 LEU A 91 17.587 -15.162 -18.882 1.00 21.14 H new ATOM 0 HD12 LEU A 91 17.262 -16.201 -17.474 1.00 21.14 H new ATOM 0 HD13 LEU A 91 16.150 -16.212 -18.864 1.00 21.14 H new ATOM 0 HD21 LEU A 91 16.203 -13.165 -19.305 1.00 15.23 H new ATOM 0 HD22 LEU A 91 14.713 -14.138 -19.303 1.00 15.23 H new ATOM 0 HD23 LEU A 91 14.868 -12.745 -18.207 1.00 15.23 H new ATOM 1412 N SER A 92 15.490 -17.481 -14.562 1.00 62.30 N ATOM 1413 CA SER A 92 16.222 -18.714 -14.291 1.00 12.01 C ATOM 1414 C SER A 92 15.475 -19.923 -14.846 1.00 53.43 C ATOM 1415 O SER A 92 14.415 -20.295 -14.345 1.00 42.11 O ATOM 1416 CB SER A 92 16.440 -18.882 -12.786 1.00 32.04 C ATOM 1417 OG SER A 92 15.890 -17.792 -12.066 1.00 24.24 O ATOM 0 H SER A 92 14.486 -17.540 -14.390 1.00 62.30 H new ATOM 0 HA SER A 92 17.191 -18.649 -14.787 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.981 -19.812 -12.451 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.507 -18.959 -12.576 1.00 32.04 H new ATOM 0 HG SER A 92 14.913 -17.867 -12.054 1.00 24.24 H new ATOM 1423 N GLY A 93 16.036 -20.530 -15.887 1.00 72.14 N ATOM 1424 CA GLY A 93 15.410 -21.690 -16.495 1.00 41.14 C ATOM 1425 C GLY A 93 15.073 -21.468 -17.956 1.00 52.41 C ATOM 1426 O GLY A 93 15.857 -21.812 -18.841 1.00 72.03 O ATOM 0 H GLY A 93 16.913 -20.240 -16.320 1.00 72.14 H new ATOM 0 HA2 GLY A 93 16.077 -22.548 -16.405 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.499 -21.936 -15.949 1.00 41.14 H new ATOM 1430 N ASP A 94 13.903 -20.892 -18.210 1.00 50.01 N ATOM 1431 CA ASP A 94 13.462 -20.625 -19.575 1.00 42.00 C ATOM 1432 C ASP A 94 13.115 -19.150 -19.754 1.00 61.22 C ATOM 1433 O ASP A 94 11.988 -18.731 -19.489 1.00 24.31 O ATOM 1434 CB ASP A 94 12.252 -21.493 -19.923 1.00 44.20 C ATOM 1435 CG ASP A 94 12.511 -22.397 -21.112 1.00 62.13 C ATOM 1436 OD1 ASP A 94 12.747 -23.605 -20.899 1.00 22.23 O ATOM 1437 OD2 ASP A 94 12.477 -21.897 -22.255 1.00 42.01 O1- ATOM 0 H ASP A 94 13.243 -20.601 -17.489 1.00 50.01 H new ATOM 0 HA ASP A 94 14.281 -20.872 -20.250 1.00 42.00 H new ATOM 0 HB2 ASP A 94 11.984 -22.101 -19.059 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.398 -20.851 -20.138 1.00 44.20 H new ATOM 1442 N ALA A 95 14.090 -18.368 -20.206 1.00 52.22 N ATOM 1443 CA ALA A 95 13.886 -16.941 -20.421 1.00 61.03 C ATOM 1444 C ALA A 95 12.764 -16.692 -21.423 1.00 63.24 C ATOM 1445 O ALA A 95 12.101 -15.655 -21.383 1.00 24.01 O ATOM 1446 CB ALA A 95 15.176 -16.290 -20.899 1.00 22.22 C ATOM 0 H ALA A 95 15.028 -18.699 -20.430 1.00 52.22 H new ATOM 0 HA ALA A 95 13.596 -16.493 -19.471 1.00 61.03 H new ATOM 0 HB1 ALA A 95 15.009 -15.224 -21.056 1.00 22.22 H new ATOM 0 HB2 ALA A 95 15.954 -16.429 -20.148 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.490 -16.750 -21.836 1.00 22.22 H new ATOM 1452 N ASP A 96 12.558 -17.647 -22.323 1.00 31.21 N ATOM 1453 CA ASP A 96 11.515 -17.532 -23.336 1.00 63.04 C ATOM 1454 C ASP A 96 10.133 -17.498 -22.692 1.00 71.11 C ATOM 1455 O ASP A 96 9.249 -16.760 -23.129 1.00 42.54 O ATOM 1456 CB ASP A 96 11.603 -18.696 -24.325 1.00 13.52 C ATOM 1457 CG ASP A 96 11.788 -18.228 -25.755 1.00 14.13 C ATOM 1458 OD1 ASP A 96 11.202 -18.853 -26.664 1.00 42.02 O ATOM 1459 OD2 ASP A 96 12.518 -17.237 -25.964 1.00 51.14 O1- ATOM 0 H ASP A 96 13.100 -18.510 -22.372 1.00 31.21 H new ATOM 0 HA ASP A 96 11.668 -16.597 -23.874 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.435 -19.343 -24.047 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.696 -19.296 -24.257 1.00 13.52 H new ATOM 1464 N LEU A 97 9.951 -18.304 -21.652 1.00 21.24 N ATOM 1465 CA LEU A 97 8.676 -18.368 -20.946 1.00 53.03 C ATOM 1466 C LEU A 97 8.403 -17.069 -20.195 1.00 34.03 C ATOM 1467 O LEU A 97 7.327 -16.484 -20.316 1.00 22.40 O ATOM 1468 CB LEU A 97 8.667 -19.546 -19.972 1.00 23.04 C ATOM 1469 CG LEU A 97 7.766 -20.723 -20.347 1.00 32.22 C ATOM 1470 CD1 LEU A 97 7.996 -21.894 -19.405 1.00 33.50 C ATOM 1471 CD2 LEU A 97 6.304 -20.301 -20.330 1.00 13.34 C ATOM 0 H LEU A 97 10.671 -18.923 -21.279 1.00 21.24 H new ATOM 0 HA LEU A 97 7.887 -18.511 -21.685 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.688 -19.914 -19.870 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.361 -19.179 -18.992 1.00 23.04 H new ATOM 0 HG LEU A 97 8.020 -21.042 -21.358 1.00 32.22 H new ATOM 0 HD11 LEU A 97 7.346 -22.722 -19.688 1.00 33.50 H new ATOM 0 HD12 LEU A 97 9.037 -22.212 -19.467 1.00 33.50 H new ATOM 0 HD13 LEU A 97 7.771 -21.589 -18.383 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.677 -21.151 -20.599 1.00 13.34 H new ATOM 0 HD22 LEU A 97 6.037 -19.955 -19.332 1.00 13.34 H new ATOM 0 HD23 LEU A 97 6.150 -19.495 -21.047 1.00 13.34 H new ATOM 1483 N ALA A 98 9.386 -16.623 -19.419 1.00 51.02 N ATOM 1484 CA ALA A 98 9.253 -15.391 -18.651 1.00 72.21 C ATOM 1485 C ALA A 98 9.149 -14.179 -19.570 1.00 74.34 C ATOM 1486 O ALA A 98 8.250 -13.352 -19.422 1.00 70.15 O ATOM 1487 CB ALA A 98 10.430 -15.234 -17.699 1.00 43.44 C ATOM 0 H ALA A 98 10.282 -17.096 -19.306 1.00 51.02 H new ATOM 0 HA ALA A 98 8.333 -15.452 -18.069 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.318 -14.310 -17.132 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.458 -16.080 -17.013 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.358 -15.199 -18.270 1.00 43.44 H new ATOM 1493 N ALA A 99 10.073 -14.081 -20.519 1.00 41.25 N ATOM 1494 CA ALA A 99 10.083 -12.971 -21.464 1.00 41.24 C ATOM 1495 C ALA A 99 8.703 -12.758 -22.077 1.00 64.45 C ATOM 1496 O ALA A 99 8.246 -11.625 -22.228 1.00 63.22 O ATOM 1497 CB ALA A 99 11.116 -13.216 -22.555 1.00 14.33 C ATOM 0 H ALA A 99 10.825 -14.757 -20.654 1.00 41.25 H new ATOM 0 HA ALA A 99 10.353 -12.066 -20.920 1.00 41.24 H new ATOM 0 HB1 ALA A 99 11.113 -12.379 -23.254 1.00 14.33 H new ATOM 0 HB2 ALA A 99 12.105 -13.310 -22.106 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.871 -14.135 -23.088 1.00 14.33 H new ATOM 1503 N LYS A 100 8.043 -13.857 -22.430 1.00 1.23 N ATOM 1504 CA LYS A 100 6.714 -13.791 -23.026 1.00 72.44 C ATOM 1505 C LYS A 100 5.775 -12.946 -22.173 1.00 13.34 C ATOM 1506 O LYS A 100 5.000 -12.142 -22.694 1.00 61.21 O ATOM 1507 CB LYS A 100 6.138 -15.199 -23.194 1.00 31.43 C ATOM 1508 CG LYS A 100 4.746 -15.220 -23.801 1.00 4.53 C ATOM 1509 CD LYS A 100 4.401 -16.590 -24.360 1.00 22.41 C ATOM 1510 CE LYS A 100 3.336 -16.498 -25.442 1.00 35.11 C ATOM 1511 NZ LYS A 100 3.822 -17.030 -26.745 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.407 -14.803 -22.314 1.00 1.23 H new ATOM 0 HA LYS A 100 6.806 -13.322 -24.006 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.808 -15.784 -23.824 1.00 31.43 H new ATOM 0 HB3 LYS A 100 6.108 -15.688 -22.220 1.00 31.43 H new ATOM 0 HG2 LYS A 100 4.014 -14.940 -23.044 1.00 4.53 H new ATOM 0 HG3 LYS A 100 4.683 -14.476 -24.595 1.00 4.53 H new ATOM 0 HD2 LYS A 100 5.298 -17.054 -24.770 1.00 22.41 H new ATOM 0 HD3 LYS A 100 4.048 -17.235 -23.555 1.00 22.41 H new ATOM 0 HE2 LYS A 100 2.452 -17.054 -25.130 1.00 35.11 H new ATOM 0 HE3 LYS A 100 3.032 -15.459 -25.565 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 3.067 -16.950 -27.456 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 4.650 -16.483 -27.056 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 4.088 -18.029 -26.634 1.00 40.13 H new ATOM 1525 N LEU A 101 5.850 -13.130 -20.859 1.00 12.30 N ATOM 1526 CA LEU A 101 5.007 -12.382 -19.933 1.00 3.23 C ATOM 1527 C LEU A 101 5.258 -10.882 -20.057 1.00 62.45 C ATOM 1528 O LEU A 101 4.331 -10.104 -20.275 1.00 14.21 O ATOM 1529 CB LEU A 101 5.267 -12.836 -18.495 1.00 62.20 C ATOM 1530 CG LEU A 101 4.088 -13.493 -17.775 1.00 45.40 C ATOM 1531 CD1 LEU A 101 3.487 -14.596 -18.631 1.00 50.44 C ATOM 1532 CD2 LEU A 101 4.528 -14.042 -16.426 1.00 34.24 C ATOM 0 H LEU A 101 6.486 -13.790 -20.411 1.00 12.30 H new ATOM 0 HA LEU A 101 3.966 -12.580 -20.188 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.100 -13.539 -18.502 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.585 -11.971 -17.914 1.00 62.20 H new ATOM 0 HG LEU A 101 3.322 -12.736 -17.605 1.00 45.40 H new ATOM 0 HD11 LEU A 101 2.650 -15.052 -18.102 1.00 50.44 H new ATOM 0 HD12 LEU A 101 3.135 -14.175 -19.573 1.00 50.44 H new ATOM 0 HD13 LEU A 101 4.244 -15.354 -18.833 1.00 50.44 H new ATOM 0 HD21 LEU A 101 3.677 -14.506 -15.927 1.00 34.24 H new ATOM 0 HD22 LEU A 101 5.312 -14.785 -16.574 1.00 34.24 H new ATOM 0 HD23 LEU A 101 4.911 -13.229 -15.810 1.00 34.24 H new ATOM 1544 N ALA A 102 6.519 -10.485 -19.920 1.00 31.42 N ATOM 1545 CA ALA A 102 6.893 -9.081 -20.022 1.00 1.32 C ATOM 1546 C ALA A 102 6.293 -8.441 -21.269 1.00 62.44 C ATOM 1547 O ALA A 102 6.021 -7.241 -21.294 1.00 20.35 O ATOM 1548 CB ALA A 102 8.407 -8.936 -20.029 1.00 64.24 C ATOM 0 H ALA A 102 7.299 -11.117 -19.738 1.00 31.42 H new ATOM 0 HA ALA A 102 6.494 -8.561 -19.151 1.00 1.32 H new ATOM 0 HB1 ALA A 102 8.671 -7.881 -20.106 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.816 -9.346 -19.106 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.820 -9.476 -20.881 1.00 64.24 H new ATOM 1554 N GLU A 103 6.089 -9.251 -22.304 1.00 45.13 N ATOM 1555 CA GLU A 103 5.522 -8.763 -23.556 1.00 0.13 C ATOM 1556 C GLU A 103 4.023 -8.517 -23.414 1.00 54.13 C ATOM 1557 O GLU A 103 3.525 -7.440 -23.740 1.00 43.44 O ATOM 1558 CB GLU A 103 5.782 -9.763 -24.683 1.00 65.34 C ATOM 1559 CG GLU A 103 6.527 -9.166 -25.866 1.00 71.40 C ATOM 1560 CD GLU A 103 7.875 -8.592 -25.477 1.00 43.23 C ATOM 1561 OE1 GLU A 103 8.184 -7.460 -25.908 1.00 35.33 O ATOM 1562 OE2 GLU A 103 8.621 -9.273 -24.743 1.00 44.42 O1- ATOM 0 H GLU A 103 6.308 -10.247 -22.300 1.00 45.13 H new ATOM 0 HA GLU A 103 6.006 -7.818 -23.801 1.00 0.13 H new ATOM 0 HB2 GLU A 103 6.356 -10.601 -24.288 1.00 65.34 H new ATOM 0 HB3 GLU A 103 4.829 -10.164 -25.029 1.00 65.34 H new ATOM 0 HG2 GLU A 103 6.669 -9.934 -26.626 1.00 71.40 H new ATOM 0 HG3 GLU A 103 5.918 -8.381 -26.315 1.00 71.40 H new ATOM 1569 N VAL A 104 3.308 -9.525 -22.926 1.00 33.41 N ATOM 1570 CA VAL A 104 1.865 -9.420 -22.741 1.00 23.33 C ATOM 1571 C VAL A 104 1.515 -8.290 -21.779 1.00 20.50 C ATOM 1572 O VAL A 104 0.379 -7.817 -21.749 1.00 4.15 O ATOM 1573 CB VAL A 104 1.270 -10.736 -22.208 1.00 33.51 C ATOM 1574 CG1 VAL A 104 1.598 -10.912 -20.733 1.00 74.10 C ATOM 1575 CG2 VAL A 104 -0.234 -10.773 -22.436 1.00 43.11 C ATOM 0 H VAL A 104 3.704 -10.424 -22.651 1.00 33.41 H new ATOM 0 HA VAL A 104 1.435 -9.206 -23.720 1.00 23.33 H new ATOM 0 HB VAL A 104 1.718 -11.564 -22.757 1.00 33.51 H new ATOM 0 HG11 VAL A 104 1.169 -11.848 -20.374 1.00 74.10 H new ATOM 0 HG12 VAL A 104 2.680 -10.934 -20.601 1.00 74.10 H new ATOM 0 HG13 VAL A 104 1.180 -10.080 -20.166 1.00 74.10 H new ATOM 0 HG21 VAL A 104 -0.637 -11.710 -22.053 1.00 43.11 H new ATOM 0 HG22 VAL A 104 -0.702 -9.937 -21.915 1.00 43.11 H new ATOM 0 HG23 VAL A 104 -0.442 -10.698 -23.503 1.00 43.11 H new ATOM 1585 N ILE A 105 2.499 -7.863 -20.995 1.00 64.50 N ATOM 1586 CA ILE A 105 2.295 -6.787 -20.032 1.00 64.45 C ATOM 1587 C ILE A 105 2.232 -5.432 -20.728 1.00 25.40 C ATOM 1588 O ILE A 105 1.591 -4.501 -20.240 1.00 74.01 O ATOM 1589 CB ILE A 105 3.416 -6.758 -18.977 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.336 -7.996 -18.081 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.325 -5.489 -18.143 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.557 -8.191 -17.209 1.00 20.20 C ATOM 0 H ILE A 105 3.445 -8.245 -21.007 1.00 64.50 H new ATOM 0 HA ILE A 105 1.344 -6.982 -19.536 1.00 64.45 H new ATOM 0 HB ILE A 105 4.378 -6.765 -19.490 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.454 -7.918 -17.445 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.201 -8.879 -18.706 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.124 -5.483 -17.402 1.00 10.31 H new ATOM 0 HG22 ILE A 105 3.426 -4.619 -18.792 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.360 -5.455 -17.637 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.431 -9.087 -16.601 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.440 -8.301 -17.839 1.00 20.20 H new ATOM 0 HD13 ILE A 105 4.681 -7.326 -16.558 1.00 20.20 H new