USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=13 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 62 THR OG1 : rot -160:sc= 1.01 USER MOD Set 1.2: A 92 SER OG : rot -88:sc= 1.16 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= -0.708 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 30 GLN : amide:sc= -2.71 K(o=-6.7,f=-13!) USER MOD Set 3.2: A 32 ASN : amide:sc= -1.57 K(o=-6.7,f=-11!) USER MOD Set 3.3: A 41 GLN : amide:sc= -2.45 K(o=-6.7,f=-15!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 113:sc= 0.722 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 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.99 K(o=-0.99,f=0) USER MOD Single : A 58 SER OG : rot 55:sc= 0.916 USER MOD Single : A 64 THR OG1 : rot 170:sc= -1.06 USER MOD Single : A 70 MET CE :methyl 173:sc= -0.753 (180deg=-0.882) USER MOD Single : A 74 SER OG : rot 90:sc= -1.11 USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0491) USER MOD Single : A 77 THR OG1 : rot -51:sc= 0.465 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 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 2.712 -1.848 -0.562 1.00 23.13 N ATOM 19 CA SER A 2 3.642 -2.920 -0.229 1.00 70.22 C ATOM 20 C SER A 2 3.447 -4.116 -1.156 1.00 60.42 C ATOM 21 O SER A 2 2.738 -4.031 -2.159 1.00 33.03 O ATOM 22 CB SER A 2 3.455 -3.353 1.226 1.00 14.01 C ATOM 23 OG SER A 2 4.689 -3.344 1.923 1.00 44.23 O ATOM 0 HA SER A 2 4.656 -2.541 -0.361 1.00 70.22 H new ATOM 0 HB2 SER A 2 2.750 -2.685 1.720 1.00 14.01 H new ATOM 0 HB3 SER A 2 3.023 -4.353 1.258 1.00 14.01 H new ATOM 0 HG SER A 2 4.543 -3.623 2.851 1.00 44.23 H new ATOM 29 N VAL A 3 4.080 -5.233 -0.812 1.00 5.10 N ATOM 30 CA VAL A 3 3.976 -6.448 -1.611 1.00 74.43 C ATOM 31 C VAL A 3 2.523 -6.768 -1.938 1.00 53.33 C ATOM 32 O VAL A 3 2.180 -7.044 -3.087 1.00 14.34 O ATOM 33 CB VAL A 3 4.605 -7.652 -0.885 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.610 -8.877 -1.787 1.00 62.02 C ATOM 35 CG2 VAL A 3 6.015 -7.317 -0.420 1.00 71.40 C ATOM 0 H VAL A 3 4.670 -5.322 0.015 1.00 5.10 H new ATOM 0 HA VAL A 3 4.522 -6.266 -2.537 1.00 74.43 H new ATOM 0 HB VAL A 3 4.001 -7.880 -0.006 1.00 11.31 H new ATOM 0 HG11 VAL A 3 5.058 -9.717 -1.257 1.00 62.02 H new ATOM 0 HG12 VAL A 3 3.587 -9.128 -2.066 1.00 62.02 H new ATOM 0 HG13 VAL A 3 5.189 -8.665 -2.686 1.00 62.02 H new ATOM 0 HG21 VAL A 3 6.444 -8.179 0.091 1.00 71.40 H new ATOM 0 HG22 VAL A 3 6.631 -7.062 -1.282 1.00 71.40 H new ATOM 0 HG23 VAL A 3 5.981 -6.470 0.265 1.00 71.40 H new ATOM 45 N GLU A 4 1.670 -6.731 -0.918 1.00 43.03 N ATOM 46 CA GLU A 4 0.252 -7.017 -1.098 1.00 11.43 C ATOM 47 C GLU A 4 -0.331 -6.186 -2.238 1.00 22.33 C ATOM 48 O GLU A 4 -1.189 -6.655 -2.988 1.00 35.51 O ATOM 49 CB GLU A 4 -0.516 -6.737 0.196 1.00 73.40 C ATOM 50 CG GLU A 4 -2.025 -6.799 0.034 1.00 34.13 C ATOM 51 CD GLU A 4 -2.763 -6.521 1.329 1.00 73.21 C ATOM 52 OE1 GLU A 4 -2.457 -7.187 2.340 1.00 60.22 O ATOM 53 OE2 GLU A 4 -3.647 -5.638 1.331 1.00 42.52 O1- ATOM 0 H GLU A 4 1.937 -6.506 0.040 1.00 43.03 H new ATOM 0 HA GLU A 4 0.150 -8.072 -1.352 1.00 11.43 H new ATOM 0 HB2 GLU A 4 -0.210 -7.459 0.953 1.00 73.40 H new ATOM 0 HB3 GLU A 4 -0.239 -5.750 0.566 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -2.336 -6.075 -0.719 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -2.307 -7.785 -0.336 1.00 34.13 H new ATOM 60 N THR A 5 0.139 -4.950 -2.362 1.00 74.04 N ATOM 61 CA THR A 5 -0.334 -4.053 -3.408 1.00 61.14 C ATOM 62 C THR A 5 0.179 -4.485 -4.777 1.00 11.11 C ATOM 63 O THR A 5 -0.515 -4.340 -5.784 1.00 53.10 O ATOM 64 CB THR A 5 0.103 -2.600 -3.143 1.00 23.45 C ATOM 65 OG1 THR A 5 -0.088 -2.274 -1.762 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.685 -1.631 -4.012 1.00 71.31 C ATOM 0 H THR A 5 0.848 -4.546 -1.750 1.00 74.04 H new ATOM 0 HA THR A 5 -1.423 -4.104 -3.399 1.00 61.14 H new ATOM 0 HB THR A 5 1.160 -2.511 -3.393 1.00 23.45 H new ATOM 0 HG1 THR A 5 0.783 -2.131 -1.336 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.359 -0.611 -3.807 1.00 71.31 H new ATOM 0 HG22 THR A 5 -0.513 -1.863 -5.063 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.748 -1.724 -3.789 1.00 71.31 H new ATOM 74 N ILE A 6 1.396 -5.017 -4.807 1.00 14.44 N ATOM 75 CA ILE A 6 2.000 -5.472 -6.053 1.00 13.03 C ATOM 76 C ILE A 6 1.281 -6.702 -6.595 1.00 73.35 C ATOM 77 O ILE A 6 0.854 -6.725 -7.750 1.00 33.51 O ATOM 78 CB ILE A 6 3.493 -5.803 -5.867 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.170 -4.739 -5.000 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.183 -5.912 -7.218 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.874 -3.323 -5.441 1.00 64.21 C ATOM 0 H ILE A 6 1.983 -5.144 -3.983 1.00 14.44 H new ATOM 0 HA ILE A 6 1.904 -4.654 -6.767 1.00 13.03 H new ATOM 0 HB ILE A 6 3.577 -6.764 -5.360 1.00 41.41 H new ATOM 0 HG12 ILE A 6 3.847 -4.864 -3.967 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.248 -4.899 -5.018 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.237 -6.146 -7.070 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.714 -6.703 -7.803 1.00 42.51 H new ATOM 0 HG23 ILE A 6 4.093 -4.965 -7.750 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.386 -2.622 -4.782 1.00 64.21 H new ATOM 0 HD12 ILE A 6 4.223 -3.180 -6.464 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.800 -3.145 -5.396 1.00 64.21 H new ATOM 93 N ILE A 7 1.150 -7.722 -5.754 1.00 51.41 N ATOM 94 CA ILE A 7 0.479 -8.955 -6.150 1.00 0.02 C ATOM 95 C ILE A 7 -0.999 -8.711 -6.432 1.00 53.31 C ATOM 96 O ILE A 7 -1.588 -9.353 -7.300 1.00 54.10 O ATOM 97 CB ILE A 7 0.611 -10.039 -5.063 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.086 -10.331 -4.779 1.00 70.25 C ATOM 99 CG2 ILE A 7 -0.112 -11.308 -5.491 1.00 54.25 C ATOM 100 CD1 ILE A 7 2.858 -10.786 -5.997 1.00 52.51 C ATOM 0 H ILE A 7 1.499 -7.720 -4.795 1.00 51.41 H new ATOM 0 HA ILE A 7 0.967 -9.302 -7.061 1.00 0.02 H new ATOM 0 HB ILE A 7 0.150 -9.672 -4.146 1.00 13.24 H new ATOM 0 HG12 ILE A 7 2.555 -9.433 -4.377 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.154 -11.099 -4.008 1.00 70.25 H new ATOM 0 HG21 ILE A 7 -0.010 -12.065 -4.713 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -1.168 -11.089 -5.648 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.324 -11.680 -6.418 1.00 54.25 H new ATOM 0 HD11 ILE A 7 3.895 -10.974 -5.721 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.414 -11.702 -6.388 1.00 52.51 H new ATOM 0 HD13 ILE A 7 2.821 -10.010 -6.762 1.00 52.51 H new ATOM 112 N GLU A 8 -1.591 -7.777 -5.693 1.00 35.43 N ATOM 113 CA GLU A 8 -3.000 -7.448 -5.866 1.00 71.25 C ATOM 114 C GLU A 8 -3.319 -7.169 -7.331 1.00 71.52 C ATOM 115 O GLU A 8 -4.425 -7.437 -7.800 1.00 32.54 O ATOM 116 CB GLU A 8 -3.372 -6.234 -5.012 1.00 71.25 C ATOM 117 CG GLU A 8 -3.998 -6.598 -3.675 1.00 15.12 C ATOM 118 CD GLU A 8 -5.512 -6.523 -3.701 1.00 1.01 C ATOM 119 OE1 GLU A 8 -6.090 -5.898 -2.786 1.00 75.25 O ATOM 120 OE2 GLU A 8 -6.119 -7.090 -4.633 1.00 14.41 O1- ATOM 0 H GLU A 8 -1.117 -7.236 -4.970 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.588 -8.306 -5.541 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.477 -5.638 -4.834 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -4.067 -5.607 -5.570 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.693 -7.607 -3.398 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.618 -5.927 -2.905 1.00 15.12 H new ATOM 127 N ARG A 9 -2.341 -6.627 -8.050 1.00 14.15 N ATOM 128 CA ARG A 9 -2.516 -6.308 -9.462 1.00 33.34 C ATOM 129 C ARG A 9 -2.471 -7.574 -10.314 1.00 22.34 C ATOM 130 O ARG A 9 -3.234 -7.717 -11.270 1.00 52.23 O ATOM 131 CB ARG A 9 -1.434 -5.331 -9.925 1.00 41.22 C ATOM 132 CG ARG A 9 -1.107 -4.256 -8.902 1.00 63.41 C ATOM 133 CD ARG A 9 -2.354 -3.504 -8.466 1.00 44.44 C ATOM 134 NE ARG A 9 -3.059 -2.910 -9.598 1.00 1.20 N ATOM 135 CZ ARG A 9 -4.230 -2.291 -9.494 1.00 43.43 C ATOM 136 NH1 ARG A 9 -4.823 -2.186 -8.312 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -4.809 -1.776 -10.570 1.00 51.24 N ATOM 0 H ARG A 9 -1.419 -6.400 -7.678 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.493 -5.841 -9.585 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -0.527 -5.889 -10.156 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -1.759 -4.854 -10.850 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -0.633 -4.712 -8.033 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -0.388 -3.555 -9.326 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -3.023 -4.185 -7.940 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -2.077 -2.721 -7.760 1.00 44.44 H new ATOM 0 HE ARG A 9 -2.628 -2.974 -10.520 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -4.380 -2.581 -7.482 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -5.722 -1.711 -8.233 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -4.355 -1.855 -11.480 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -5.708 -1.301 -10.488 1.00 51.24 H new ATOM 151 N ILE A 10 -1.574 -8.487 -9.961 1.00 40.41 N ATOM 152 CA ILE A 10 -1.430 -9.740 -10.693 1.00 14.34 C ATOM 153 C ILE A 10 -2.667 -10.617 -10.528 1.00 62.03 C ATOM 154 O ILE A 10 -3.312 -10.990 -11.507 1.00 74.00 O ATOM 155 CB ILE A 10 -0.191 -10.526 -10.226 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.077 -9.697 -10.444 1.00 24.51 C ATOM 157 CG2 ILE A 10 -0.097 -11.852 -10.963 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.201 -10.053 -9.496 1.00 13.02 C ATOM 0 H ILE A 10 -0.935 -8.383 -9.172 1.00 40.41 H new ATOM 0 HA ILE A 10 -1.309 -9.480 -11.745 1.00 14.34 H new ATOM 0 HB ILE A 10 -0.289 -10.732 -9.160 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.420 -9.835 -11.469 1.00 24.51 H new ATOM 0 HG13 ILE A 10 0.835 -8.640 -10.328 1.00 24.51 H new ATOM 0 HG21 ILE A 10 0.784 -12.396 -10.622 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.990 -12.444 -10.762 1.00 55.12 H new ATOM 0 HG23 ILE A 10 -0.018 -11.668 -12.034 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.068 -9.427 -9.708 1.00 13.02 H new ATOM 0 HD12 ILE A 10 1.876 -9.888 -8.469 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.470 -11.101 -9.628 1.00 13.02 H new ATOM 170 N LYS A 11 -2.993 -10.943 -9.281 1.00 61.13 N ATOM 171 CA LYS A 11 -4.154 -11.773 -8.986 1.00 50.23 C ATOM 172 C LYS A 11 -5.387 -11.266 -9.725 1.00 62.52 C ATOM 173 O LYS A 11 -6.252 -12.050 -10.118 1.00 43.22 O ATOM 174 CB LYS A 11 -4.421 -11.793 -7.479 1.00 4.34 C ATOM 175 CG LYS A 11 -4.251 -10.439 -6.813 1.00 75.22 C ATOM 176 CD LYS A 11 -5.392 -10.142 -5.854 1.00 21.30 C ATOM 177 CE LYS A 11 -4.933 -10.210 -4.405 1.00 45.52 C ATOM 178 NZ LYS A 11 -5.980 -10.791 -3.518 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.469 -10.644 -8.459 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.941 -12.787 -9.325 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -5.436 -12.150 -7.303 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.746 -12.507 -7.008 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.305 -10.415 -6.273 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -4.203 -9.661 -7.575 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.796 -9.151 -6.063 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -6.200 -10.856 -6.015 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -4.026 -10.812 -4.339 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -4.677 -9.209 -4.058 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -5.629 -10.820 -2.539 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -6.837 -10.203 -3.561 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -6.206 -11.756 -3.834 1.00 13.21 H new ATOM 192 N ALA A 12 -5.462 -9.953 -9.913 1.00 55.14 N ATOM 193 CA ALA A 12 -6.588 -9.344 -10.609 1.00 34.34 C ATOM 194 C ALA A 12 -6.536 -9.640 -12.104 1.00 55.24 C ATOM 195 O ALA A 12 -7.502 -10.140 -12.681 1.00 10.40 O ATOM 196 CB ALA A 12 -6.606 -7.842 -10.368 1.00 45.33 C ATOM 0 H ALA A 12 -4.756 -9.290 -9.593 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.506 -9.777 -10.211 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.452 -7.399 -10.894 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.699 -7.646 -9.300 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.679 -7.403 -10.738 1.00 45.33 H new ATOM 202 N ARG A 13 -5.403 -9.331 -12.725 1.00 1.42 N ATOM 203 CA ARG A 13 -5.227 -9.563 -14.153 1.00 42.34 C ATOM 204 C ARG A 13 -5.452 -11.033 -14.497 1.00 75.41 C ATOM 205 O ARG A 13 -6.254 -11.360 -15.371 1.00 71.34 O ATOM 206 CB ARG A 13 -3.825 -9.134 -14.592 1.00 55.21 C ATOM 207 CG ARG A 13 -3.550 -9.371 -16.068 1.00 12.20 C ATOM 208 CD ARG A 13 -2.971 -10.756 -16.312 1.00 25.52 C ATOM 209 NE ARG A 13 -2.317 -10.855 -17.614 1.00 14.11 N ATOM 210 CZ ARG A 13 -2.975 -10.853 -18.768 1.00 35.11 C ATOM 211 NH1 ARG A 13 -4.297 -10.756 -18.782 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -2.310 -10.946 -19.913 1.00 54.31 N ATOM 0 H ARG A 13 -4.593 -8.919 -12.262 1.00 1.42 H new ATOM 0 HA ARG A 13 -5.966 -8.966 -14.687 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.693 -8.075 -14.372 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -3.087 -9.677 -14.002 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -4.474 -9.257 -16.634 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -2.856 -8.615 -16.436 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -2.253 -10.992 -15.527 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -3.767 -11.498 -16.249 1.00 25.52 H new ATOM 0 HE ARG A 13 -1.300 -10.930 -17.639 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -4.812 -10.683 -17.905 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -4.799 -10.755 -19.670 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -1.293 -11.019 -19.907 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -2.816 -10.944 -20.798 1.00 54.31 H new ATOM 226 N VAL A 14 -4.738 -11.913 -13.804 1.00 22.42 N ATOM 227 CA VAL A 14 -4.860 -13.347 -14.035 1.00 65.13 C ATOM 228 C VAL A 14 -6.317 -13.790 -13.982 1.00 11.41 C ATOM 229 O VAL A 14 -6.778 -14.549 -14.833 1.00 11.41 O ATOM 230 CB VAL A 14 -4.052 -14.154 -13.001 1.00 21.10 C ATOM 231 CG1 VAL A 14 -2.568 -14.111 -13.331 1.00 11.02 C ATOM 232 CG2 VAL A 14 -4.309 -13.628 -11.597 1.00 61.14 C ATOM 0 H VAL A 14 -4.069 -11.658 -13.078 1.00 22.42 H new ATOM 0 HA VAL A 14 -4.460 -13.542 -15.030 1.00 65.13 H new ATOM 0 HB VAL A 14 -4.379 -15.193 -13.041 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -2.014 -14.686 -12.590 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -2.403 -14.538 -14.320 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.223 -13.077 -13.320 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -3.730 -14.209 -10.879 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -4.011 -12.581 -11.540 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -5.370 -13.716 -11.364 1.00 61.14 H new ATOM 242 N GLY A 15 -7.040 -13.311 -12.974 1.00 21.44 N ATOM 243 CA GLY A 15 -8.439 -13.668 -12.827 1.00 52.30 C ATOM 244 C GLY A 15 -9.318 -13.002 -13.866 1.00 73.25 C ATOM 245 O GLY A 15 -10.509 -13.298 -13.963 1.00 42.21 O ATOM 0 H GLY A 15 -6.681 -12.682 -12.256 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -8.545 -14.750 -12.905 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.780 -13.385 -11.831 1.00 52.30 H new ATOM 249 N ALA A 16 -8.732 -12.099 -14.647 1.00 11.20 N ATOM 250 CA ALA A 16 -9.470 -11.391 -15.684 1.00 51.25 C ATOM 251 C ALA A 16 -9.222 -12.010 -17.055 1.00 3.23 C ATOM 252 O ALA A 16 -9.961 -11.754 -18.006 1.00 4.14 O ATOM 253 CB ALA A 16 -9.088 -9.918 -15.690 1.00 14.21 C ATOM 0 H ALA A 16 -7.747 -11.841 -14.580 1.00 11.20 H new ATOM 0 HA ALA A 16 -10.534 -11.479 -15.463 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.647 -9.400 -16.470 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.323 -9.477 -14.721 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -8.020 -9.820 -15.883 1.00 14.21 H new ATOM 259 N VAL A 17 -8.176 -12.826 -17.150 1.00 61.40 N ATOM 260 CA VAL A 17 -7.830 -13.481 -18.405 1.00 25.41 C ATOM 261 C VAL A 17 -9.041 -14.181 -19.012 1.00 62.03 C ATOM 262 O VAL A 17 -9.643 -15.055 -18.388 1.00 65.32 O ATOM 263 CB VAL A 17 -6.702 -14.511 -18.208 1.00 5.11 C ATOM 264 CG1 VAL A 17 -6.618 -15.447 -19.405 1.00 42.13 C ATOM 265 CG2 VAL A 17 -5.373 -13.808 -17.977 1.00 53.34 C ATOM 0 H VAL A 17 -7.554 -13.049 -16.373 1.00 61.40 H new ATOM 0 HA VAL A 17 -7.486 -12.701 -19.084 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.930 -15.108 -17.325 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -5.815 -16.168 -19.248 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -7.564 -15.976 -19.520 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -6.414 -14.868 -20.306 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -4.587 -14.551 -17.840 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -5.136 -13.185 -18.839 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -5.442 -13.184 -17.086 1.00 53.34 H new ATOM 275 N ASP A 18 -9.393 -13.790 -20.232 1.00 53.03 N ATOM 276 CA ASP A 18 -10.533 -14.380 -20.925 1.00 53.12 C ATOM 277 C ASP A 18 -10.068 -15.335 -22.020 1.00 33.02 C ATOM 278 O ASP A 18 -9.057 -15.110 -22.686 1.00 11.13 O ATOM 279 CB ASP A 18 -11.414 -13.285 -21.527 1.00 41.05 C ATOM 280 CG ASP A 18 -12.307 -12.626 -20.493 1.00 3.44 C ATOM 281 OD1 ASP A 18 -12.315 -11.380 -20.425 1.00 41.35 O ATOM 282 OD2 ASP A 18 -12.996 -13.357 -19.753 1.00 43.50 O1- ATOM 0 H ASP A 18 -8.906 -13.067 -20.762 1.00 53.03 H new ATOM 0 HA ASP A 18 -11.116 -14.945 -20.198 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -10.782 -12.529 -21.992 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -12.032 -13.713 -22.317 1.00 41.05 H new ATOM 287 N PRO A 19 -10.821 -16.428 -22.212 1.00 61.33 N ATOM 288 CA PRO A 19 -10.505 -17.439 -23.224 1.00 24.45 C ATOM 289 C PRO A 19 -10.717 -16.924 -24.645 1.00 52.45 C ATOM 290 O PRO A 19 -10.202 -17.495 -25.605 1.00 60.01 O ATOM 291 CB PRO A 19 -11.487 -18.572 -22.913 1.00 44.51 C ATOM 292 CG PRO A 19 -12.631 -17.905 -22.232 1.00 61.04 C ATOM 293 CD PRO A 19 -12.040 -16.760 -21.455 1.00 65.12 C ATOM 0 HA PRO A 19 -9.458 -17.741 -23.185 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -11.809 -19.078 -23.823 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -11.031 -19.327 -22.273 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -13.363 -17.548 -22.957 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -13.150 -18.599 -21.571 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -12.724 -15.913 -21.404 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -11.810 -17.047 -20.429 1.00 65.12 H new ATOM 301 N ASN A 20 -11.479 -15.843 -24.768 1.00 14.21 N ATOM 302 CA ASN A 20 -11.760 -15.251 -26.071 1.00 51.20 C ATOM 303 C ASN A 20 -10.496 -14.653 -26.681 1.00 32.21 C ATOM 304 O ASN A 20 -10.287 -14.718 -27.892 1.00 25.02 O ATOM 305 CB ASN A 20 -12.838 -14.173 -25.943 1.00 64.43 C ATOM 306 CG ASN A 20 -14.178 -14.627 -26.488 1.00 2.35 C ATOM 307 OD1 ASN A 20 -14.698 -14.053 -27.446 1.00 4.13 O ATOM 308 ND2 ASN A 20 -14.745 -15.662 -25.879 1.00 52.44 N ATOM 0 H ASN A 20 -11.913 -15.359 -23.982 1.00 14.21 H new ATOM 0 HA ASN A 20 -12.122 -16.040 -26.730 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -12.950 -13.898 -24.894 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -12.517 -13.277 -26.475 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -15.647 -16.012 -26.201 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -14.278 -16.107 -25.089 1.00 52.44 H new ATOM 315 N GLY A 21 -9.654 -14.071 -25.832 1.00 50.52 N ATOM 316 CA GLY A 21 -8.421 -13.470 -26.304 1.00 62.51 C ATOM 317 C GLY A 21 -7.205 -14.319 -25.992 1.00 11.23 C ATOM 318 O GLY A 21 -6.767 -15.136 -26.801 1.00 25.24 O ATOM 0 H GLY A 21 -9.804 -14.005 -24.825 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -8.485 -13.315 -27.381 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -8.301 -12.488 -25.847 1.00 62.51 H new ATOM 322 N PRO A 22 -6.638 -14.127 -24.791 1.00 62.45 N ATOM 323 CA PRO A 22 -5.457 -14.873 -24.346 1.00 23.24 C ATOM 324 C PRO A 22 -5.765 -16.342 -24.076 1.00 51.52 C ATOM 325 O PRO A 22 -6.606 -16.664 -23.235 1.00 44.23 O ATOM 326 CB PRO A 22 -5.057 -14.163 -23.049 1.00 44.15 C ATOM 327 CG PRO A 22 -6.318 -13.546 -22.552 1.00 54.42 C ATOM 328 CD PRO A 22 -7.107 -13.170 -23.776 1.00 52.42 C ATOM 0 HA PRO A 22 -4.673 -14.883 -25.103 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -4.647 -14.865 -22.323 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -4.291 -13.409 -23.230 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -6.875 -14.245 -21.929 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -6.108 -12.670 -21.939 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -8.180 -13.259 -23.605 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -6.916 -12.140 -24.076 1.00 52.42 H new ATOM 336 N ARG A 23 -5.081 -17.227 -24.792 1.00 3.14 N ATOM 337 CA ARG A 23 -5.284 -18.662 -24.629 1.00 53.14 C ATOM 338 C ARG A 23 -4.703 -19.145 -23.304 1.00 53.31 C ATOM 339 O ARG A 23 -3.938 -18.434 -22.652 1.00 11.32 O ATOM 340 CB ARG A 23 -4.639 -19.423 -25.789 1.00 65.52 C ATOM 341 CG ARG A 23 -5.642 -20.137 -26.681 1.00 43.32 C ATOM 342 CD ARG A 23 -6.742 -19.195 -27.147 1.00 4.23 C ATOM 343 NE ARG A 23 -6.885 -19.196 -28.600 1.00 13.13 N ATOM 344 CZ ARG A 23 -7.487 -20.167 -29.278 1.00 63.53 C ATOM 345 NH1 ARG A 23 -8.000 -21.208 -28.638 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -7.578 -20.096 -30.601 1.00 32.33 N ATOM 0 H ARG A 23 -4.381 -16.976 -25.491 1.00 3.14 H new ATOM 0 HA ARG A 23 -6.357 -18.856 -24.628 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -4.060 -18.725 -26.394 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -3.937 -20.154 -25.387 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -5.128 -20.555 -27.547 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -6.083 -20.973 -26.138 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -7.687 -19.487 -26.690 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -6.522 -18.184 -26.805 1.00 4.23 H new ATOM 0 HE ARG A 23 -6.502 -18.408 -29.123 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -7.933 -21.265 -27.622 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -8.462 -21.952 -29.162 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -7.186 -19.296 -31.097 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -8.040 -20.842 -31.121 1.00 32.33 H new ATOM 360 N LYS A 24 -5.073 -20.360 -22.910 1.00 71.13 N ATOM 361 CA LYS A 24 -4.590 -20.941 -21.663 1.00 41.04 C ATOM 362 C LYS A 24 -3.322 -21.756 -21.897 1.00 22.22 C ATOM 363 O LYS A 24 -3.385 -22.932 -22.255 1.00 21.24 O ATOM 364 CB LYS A 24 -5.669 -21.826 -21.037 1.00 44.53 C ATOM 365 CG LYS A 24 -6.495 -21.119 -19.975 1.00 62.53 C ATOM 366 CD LYS A 24 -7.859 -21.767 -19.808 1.00 63.55 C ATOM 367 CE LYS A 24 -7.850 -22.805 -18.697 1.00 34.31 C ATOM 368 NZ LYS A 24 -9.098 -23.620 -18.689 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.706 -20.961 -23.437 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.355 -20.126 -20.979 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -6.334 -22.185 -21.823 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -5.196 -22.703 -20.594 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -5.962 -21.140 -19.024 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.620 -20.071 -20.247 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -8.602 -21.001 -19.586 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -8.157 -22.238 -20.745 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -6.988 -23.461 -18.820 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -7.736 -22.306 -17.735 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -9.053 -24.316 -17.917 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -9.918 -22.997 -18.546 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -9.194 -24.116 -19.598 1.00 63.14 H new ATOM 382 N VAL A 25 -2.170 -21.124 -21.693 1.00 32.25 N ATOM 383 CA VAL A 25 -0.888 -21.790 -21.880 1.00 72.11 C ATOM 384 C VAL A 25 -0.563 -22.698 -20.698 1.00 51.12 C ATOM 385 O VAL A 25 -1.304 -22.745 -19.716 1.00 43.45 O ATOM 386 CB VAL A 25 0.254 -20.773 -22.059 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.093 -20.017 -23.370 1.00 11.11 C ATOM 388 CG2 VAL A 25 0.300 -19.812 -20.882 1.00 3.14 C ATOM 0 H VAL A 25 -2.100 -20.150 -21.398 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.974 -22.391 -22.785 1.00 72.11 H new ATOM 0 HB VAL A 25 1.199 -21.315 -22.093 1.00 34.14 H new ATOM 0 HG11 VAL A 25 0.909 -19.302 -23.480 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.113 -20.722 -24.201 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.858 -19.485 -23.369 1.00 11.11 H new ATOM 0 HG21 VAL A 25 1.113 -19.100 -21.025 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -0.646 -19.274 -20.814 1.00 3.14 H new ATOM 0 HG23 VAL A 25 0.466 -20.372 -19.962 1.00 3.14 H new ATOM 398 N LEU A 26 0.548 -23.419 -20.801 1.00 52.13 N ATOM 399 CA LEU A 26 0.973 -24.325 -19.740 1.00 53.31 C ATOM 400 C LEU A 26 2.333 -23.916 -19.185 1.00 41.52 C ATOM 401 O LEU A 26 3.272 -23.663 -19.940 1.00 23.31 O ATOM 402 CB LEU A 26 1.034 -25.761 -20.264 1.00 34.22 C ATOM 403 CG LEU A 26 -0.288 -26.353 -20.756 1.00 5.53 C ATOM 404 CD1 LEU A 26 -0.567 -25.920 -22.187 1.00 50.53 C ATOM 405 CD2 LEU A 26 -0.264 -27.871 -20.651 1.00 1.25 C ATOM 0 H LEU A 26 1.171 -23.394 -21.608 1.00 52.13 H new ATOM 0 HA LEU A 26 0.242 -24.269 -18.934 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.752 -25.797 -21.083 1.00 34.22 H new ATOM 0 HB3 LEU A 26 1.422 -26.400 -19.471 1.00 34.22 H new ATOM 0 HG LEU A 26 -1.091 -25.977 -20.122 1.00 5.53 H new ATOM 0 HD11 LEU A 26 -1.511 -26.351 -22.520 1.00 50.53 H new ATOM 0 HD12 LEU A 26 -0.628 -24.833 -22.233 1.00 50.53 H new ATOM 0 HD13 LEU A 26 0.238 -26.266 -22.835 1.00 50.53 H new ATOM 0 HD21 LEU A 26 -1.212 -28.275 -21.005 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.549 -28.265 -21.261 1.00 1.25 H new ATOM 0 HD23 LEU A 26 -0.111 -28.161 -19.612 1.00 1.25 H new ATOM 417 N GLY A 27 2.433 -23.855 -17.862 1.00 11.13 N ATOM 418 CA GLY A 27 3.683 -23.478 -17.228 1.00 74.50 C ATOM 419 C GLY A 27 3.473 -22.799 -15.889 1.00 72.22 C ATOM 420 O GLY A 27 2.337 -22.604 -15.455 1.00 33.15 O ATOM 0 H GLY A 27 1.670 -24.060 -17.217 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.298 -24.367 -17.089 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.234 -22.809 -17.889 1.00 74.50 H new ATOM 424 N VAL A 28 4.571 -22.441 -15.230 1.00 0.31 N ATOM 425 CA VAL A 28 4.502 -21.781 -13.932 1.00 11.43 C ATOM 426 C VAL A 28 5.637 -20.777 -13.765 1.00 12.21 C ATOM 427 O VAL A 28 6.701 -20.919 -14.369 1.00 72.43 O ATOM 428 CB VAL A 28 4.561 -22.801 -12.780 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.942 -22.219 -11.519 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.863 -24.094 -13.178 1.00 65.50 C ATOM 0 H VAL A 28 5.518 -22.597 -15.574 1.00 0.31 H new ATOM 0 HA VAL A 28 3.547 -21.256 -13.894 1.00 11.43 H new ATOM 0 HB VAL A 28 5.607 -23.028 -12.571 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.993 -22.954 -10.716 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.489 -21.323 -11.226 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.900 -21.962 -11.710 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.914 -24.804 -12.352 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.819 -23.886 -13.414 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.355 -24.519 -14.053 1.00 65.50 H new ATOM 440 N PHE A 29 5.404 -19.761 -12.940 1.00 21.24 N ATOM 441 CA PHE A 29 6.407 -18.731 -12.693 1.00 24.31 C ATOM 442 C PHE A 29 6.714 -18.617 -11.203 1.00 74.32 C ATOM 443 O PHE A 29 5.830 -18.781 -10.363 1.00 14.41 O ATOM 444 CB PHE A 29 5.927 -17.382 -13.232 1.00 62.43 C ATOM 445 CG PHE A 29 5.642 -17.393 -14.707 1.00 74.23 C ATOM 446 CD1 PHE A 29 4.473 -16.839 -15.204 1.00 73.12 C ATOM 447 CD2 PHE A 29 6.542 -17.956 -15.596 1.00 0.33 C ATOM 448 CE1 PHE A 29 4.207 -16.846 -16.560 1.00 43.11 C ATOM 449 CE2 PHE A 29 6.283 -17.967 -16.953 1.00 64.12 C ATOM 450 CZ PHE A 29 5.113 -17.412 -17.436 1.00 52.54 C ATOM 0 H PHE A 29 4.530 -19.629 -12.431 1.00 21.24 H new ATOM 0 HA PHE A 29 7.321 -19.017 -13.213 1.00 24.31 H new ATOM 0 HB2 PHE A 29 5.024 -17.087 -12.698 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.683 -16.626 -13.022 1.00 62.43 H new ATOM 0 HD1 PHE A 29 3.761 -16.396 -14.523 1.00 73.12 H new ATOM 0 HD2 PHE A 29 7.458 -18.392 -15.224 1.00 0.33 H new ATOM 0 HE1 PHE A 29 3.293 -16.410 -16.934 1.00 43.11 H new ATOM 0 HE2 PHE A 29 6.994 -18.409 -17.636 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.907 -17.421 -18.496 1.00 52.54 H new ATOM 460 N GLN A 30 7.973 -18.336 -10.884 1.00 73.10 N ATOM 461 CA GLN A 30 8.396 -18.200 -9.495 1.00 2.03 C ATOM 462 C GLN A 30 8.952 -16.806 -9.229 1.00 32.14 C ATOM 463 O GLN A 30 10.137 -16.547 -9.444 1.00 10.04 O ATOM 464 CB GLN A 30 9.452 -19.256 -9.157 1.00 11.10 C ATOM 465 CG GLN A 30 9.727 -19.385 -7.667 1.00 21.52 C ATOM 466 CD GLN A 30 8.455 -19.446 -6.843 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.480 -20.090 -7.231 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.461 -18.776 -5.696 1.00 1.20 N ATOM 0 H GLN A 30 8.717 -18.198 -11.568 1.00 73.10 H new ATOM 0 HA GLN A 30 7.524 -18.350 -8.859 1.00 2.03 H new ATOM 0 HB2 GLN A 30 9.125 -20.222 -9.543 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.381 -19.006 -9.669 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.316 -20.284 -7.486 1.00 21.52 H new ATOM 0 HG3 GLN A 30 10.329 -18.538 -7.338 1.00 21.52 H new ATOM 0 HE21 GLN A 30 9.292 -18.256 -5.414 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.635 -18.782 -5.098 1.00 1.20 H new ATOM 477 N LEU A 31 8.090 -15.911 -8.759 1.00 65.02 N ATOM 478 CA LEU A 31 8.494 -14.541 -8.463 1.00 54.50 C ATOM 479 C LEU A 31 9.119 -14.445 -7.075 1.00 53.24 C ATOM 480 O LEU A 31 8.545 -14.912 -6.093 1.00 13.04 O ATOM 481 CB LEU A 31 7.291 -13.600 -8.561 1.00 52.25 C ATOM 482 CG LEU A 31 7.285 -12.416 -7.593 1.00 62.25 C ATOM 483 CD1 LEU A 31 8.486 -11.516 -7.844 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.990 -11.628 -7.724 1.00 64.43 C ATOM 0 H LEU A 31 7.107 -16.110 -8.575 1.00 65.02 H new ATOM 0 HA LEU A 31 9.241 -14.242 -9.198 1.00 54.50 H new ATOM 0 HB2 LEU A 31 7.240 -13.212 -9.578 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.385 -14.183 -8.396 1.00 52.25 H new ATOM 0 HG LEU A 31 7.352 -12.802 -6.576 1.00 62.25 H new ATOM 0 HD11 LEU A 31 8.465 -10.679 -7.146 1.00 62.41 H new ATOM 0 HD12 LEU A 31 9.404 -12.086 -7.700 1.00 62.41 H new ATOM 0 HD13 LEU A 31 8.450 -11.138 -8.866 1.00 62.41 H new ATOM 0 HD21 LEU A 31 6.003 -10.789 -7.028 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.894 -11.253 -8.743 1.00 64.43 H new ATOM 0 HD23 LEU A 31 5.145 -12.277 -7.495 1.00 64.43 H new ATOM 496 N ASN A 32 10.297 -13.834 -7.002 1.00 55.44 N ATOM 497 CA ASN A 32 10.998 -13.676 -5.733 1.00 63.23 C ATOM 498 C ASN A 32 11.349 -12.212 -5.486 1.00 53.21 C ATOM 499 O ASN A 32 12.212 -11.647 -6.159 1.00 30.12 O ATOM 500 CB ASN A 32 12.269 -14.527 -5.720 1.00 15.22 C ATOM 501 CG ASN A 32 11.994 -15.983 -6.036 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.889 -16.817 -5.137 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.874 -16.297 -7.321 1.00 41.33 N ATOM 0 H ASN A 32 10.786 -13.440 -7.806 1.00 55.44 H new ATOM 0 HA ASN A 32 10.336 -14.012 -4.935 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.977 -14.128 -6.446 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.742 -14.454 -4.741 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.687 -17.262 -7.595 1.00 41.33 H new ATOM 0 HD22 ASN A 32 11.968 -15.573 -8.034 1.00 41.33 H new ATOM 510 N ILE A 33 10.676 -11.604 -4.515 1.00 31.21 N ATOM 511 CA ILE A 33 10.919 -10.206 -4.177 1.00 31.14 C ATOM 512 C ILE A 33 11.857 -10.085 -2.981 1.00 52.44 C ATOM 513 O ILE A 33 11.694 -10.779 -1.977 1.00 11.10 O ATOM 514 CB ILE A 33 9.605 -9.467 -3.862 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.598 -9.665 -4.997 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.871 -7.986 -3.636 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.721 -10.885 -4.820 1.00 72.22 C ATOM 0 H ILE A 33 9.959 -12.057 -3.949 1.00 31.21 H new ATOM 0 HA ILE A 33 11.385 -9.746 -5.049 1.00 31.14 H new ATOM 0 HB ILE A 33 9.181 -9.884 -2.948 1.00 13.11 H new ATOM 0 HG12 ILE A 33 7.966 -8.780 -5.069 1.00 12.13 H new ATOM 0 HG13 ILE A 33 9.138 -9.749 -5.940 1.00 12.13 H new ATOM 0 HG21 ILE A 33 8.933 -7.477 -3.414 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.557 -7.863 -2.798 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.314 -7.555 -4.534 1.00 60.34 H new ATOM 0 HD11 ILE A 33 7.032 -10.963 -5.661 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.344 -11.778 -4.778 1.00 72.22 H new ATOM 0 HD13 ILE A 33 7.154 -10.794 -3.893 1.00 72.22 H new ATOM 529 N LYS A 34 12.838 -9.196 -3.094 1.00 22.24 N ATOM 530 CA LYS A 34 13.801 -8.980 -2.021 1.00 23.21 C ATOM 531 C LYS A 34 13.156 -8.244 -0.850 1.00 44.34 C ATOM 532 O LYS A 34 12.195 -7.496 -1.028 1.00 15.11 O ATOM 533 CB LYS A 34 15.001 -8.183 -2.539 1.00 53.34 C ATOM 534 CG LYS A 34 16.060 -9.043 -3.206 1.00 41.43 C ATOM 535 CD LYS A 34 16.359 -8.566 -4.618 1.00 33.21 C ATOM 536 CE LYS A 34 17.741 -9.006 -5.075 1.00 40.23 C ATOM 537 NZ LYS A 34 17.798 -10.471 -5.338 1.00 30.42 N1+ ATOM 0 H LYS A 34 12.987 -8.613 -3.918 1.00 22.24 H new ATOM 0 HA LYS A 34 14.142 -9.954 -1.671 1.00 23.21 H new ATOM 0 HB2 LYS A 34 14.650 -7.436 -3.251 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.454 -7.643 -1.708 1.00 53.34 H new ATOM 0 HG2 LYS A 34 16.974 -9.021 -2.613 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.723 -10.079 -3.235 1.00 41.43 H new ATOM 0 HD2 LYS A 34 15.607 -8.958 -5.302 1.00 33.21 H new ATOM 0 HD3 LYS A 34 16.291 -7.479 -4.658 1.00 33.21 H new ATOM 0 HE2 LYS A 34 18.014 -8.464 -5.980 1.00 40.23 H new ATOM 0 HE3 LYS A 34 18.476 -8.745 -4.313 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 18.756 -10.731 -5.647 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 17.562 -10.989 -4.468 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 17.115 -10.717 -6.083 1.00 30.42 H new ATOM 551 N THR A 35 13.693 -8.461 0.346 1.00 41.14 N ATOM 552 CA THR A 35 13.170 -7.818 1.546 1.00 62.04 C ATOM 553 C THR A 35 14.291 -7.490 2.527 1.00 21.21 C ATOM 554 O THR A 35 15.440 -7.874 2.320 1.00 42.41 O ATOM 555 CB THR A 35 12.130 -8.707 2.252 1.00 73.14 C ATOM 556 OG1 THR A 35 12.791 -9.707 3.036 1.00 74.33 O ATOM 557 CG2 THR A 35 11.213 -9.376 1.238 1.00 21.11 C ATOM 0 H THR A 35 14.489 -9.077 0.510 1.00 41.14 H new ATOM 0 HA THR A 35 12.689 -6.894 1.225 1.00 62.04 H new ATOM 0 HB THR A 35 11.527 -8.075 2.904 1.00 73.14 H new ATOM 0 HG1 THR A 35 12.122 -10.267 3.483 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.487 -9.999 1.760 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.689 -8.613 0.662 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.805 -9.996 0.565 1.00 21.11 H new ATOM 565 N ALA A 36 13.945 -6.778 3.594 1.00 32.44 N ATOM 566 CA ALA A 36 14.922 -6.400 4.609 1.00 70.24 C ATOM 567 C ALA A 36 15.229 -7.571 5.537 1.00 54.21 C ATOM 568 O ALA A 36 16.207 -7.542 6.284 1.00 10.51 O ATOM 569 CB ALA A 36 14.418 -5.208 5.408 1.00 11.33 C ATOM 0 H ALA A 36 12.997 -6.451 3.779 1.00 32.44 H new ATOM 0 HA ALA A 36 15.846 -6.119 4.103 1.00 70.24 H new ATOM 0 HB1 ALA A 36 15.157 -4.937 6.162 1.00 11.33 H new ATOM 0 HB2 ALA A 36 14.256 -4.363 4.738 1.00 11.33 H new ATOM 0 HB3 ALA A 36 13.479 -5.469 5.897 1.00 11.33 H new ATOM 575 N SER A 37 14.387 -8.598 5.485 1.00 12.43 N ATOM 576 CA SER A 37 14.566 -9.777 6.325 1.00 24.12 C ATOM 577 C SER A 37 14.840 -11.013 5.475 1.00 71.45 C ATOM 578 O SER A 37 14.888 -12.132 5.985 1.00 35.33 O ATOM 579 CB SER A 37 13.327 -10.004 7.193 1.00 74.34 C ATOM 580 OG SER A 37 12.236 -9.221 6.739 1.00 31.32 O ATOM 0 H SER A 37 13.574 -8.638 4.870 1.00 12.43 H new ATOM 0 HA SER A 37 15.426 -9.605 6.972 1.00 24.12 H new ATOM 0 HB2 SER A 37 13.054 -11.059 7.174 1.00 74.34 H new ATOM 0 HB3 SER A 37 13.554 -9.752 8.229 1.00 74.34 H new ATOM 0 HG SER A 37 11.456 -9.385 7.309 1.00 31.32 H new ATOM 586 N GLY A 38 15.018 -10.802 4.174 1.00 20.32 N ATOM 587 CA GLY A 38 15.284 -11.908 3.273 1.00 11.02 C ATOM 588 C GLY A 38 14.619 -11.729 1.923 1.00 44.13 C ATOM 589 O GLY A 38 14.762 -10.684 1.286 1.00 2.10 O ATOM 0 H GLY A 38 14.983 -9.885 3.728 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.360 -12.008 3.134 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.934 -12.835 3.727 1.00 11.02 H new ATOM 593 N VAL A 39 13.890 -12.749 1.483 1.00 25.01 N ATOM 594 CA VAL A 39 13.201 -12.700 0.200 1.00 53.13 C ATOM 595 C VAL A 39 11.851 -13.404 0.273 1.00 4.40 C ATOM 596 O VAL A 39 11.718 -14.447 0.912 1.00 12.03 O ATOM 597 CB VAL A 39 14.044 -13.347 -0.915 1.00 31.52 C ATOM 598 CG1 VAL A 39 14.007 -14.863 -0.803 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.556 -12.893 -2.283 1.00 44.20 C ATOM 0 H VAL A 39 13.761 -13.620 1.997 1.00 25.01 H new ATOM 0 HA VAL A 39 13.046 -11.647 -0.035 1.00 53.13 H new ATOM 0 HB VAL A 39 15.078 -13.024 -0.797 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.608 -15.301 -1.599 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.409 -15.166 0.164 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.977 -15.209 -0.893 1.00 45.01 H new ATOM 0 HG21 VAL A 39 14.163 -13.360 -3.059 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.514 -13.185 -2.413 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.641 -11.809 -2.358 1.00 44.20 H new ATOM 609 N GLU A 40 10.852 -12.826 -0.385 1.00 32.42 N ATOM 610 CA GLU A 40 9.511 -13.398 -0.393 1.00 60.10 C ATOM 611 C GLU A 40 9.274 -14.210 -1.664 1.00 42.53 C ATOM 612 O GLU A 40 9.428 -13.702 -2.774 1.00 20.13 O ATOM 613 CB GLU A 40 8.459 -12.292 -0.279 1.00 24.13 C ATOM 614 CG GLU A 40 8.570 -11.477 1.000 1.00 11.04 C ATOM 615 CD GLU A 40 7.388 -11.683 1.927 1.00 24.31 C ATOM 616 OE1 GLU A 40 7.481 -12.549 2.823 1.00 60.43 O ATOM 617 OE2 GLU A 40 6.371 -10.979 1.759 1.00 55.13 O1- ATOM 0 H GLU A 40 10.946 -11.962 -0.919 1.00 32.42 H new ATOM 0 HA GLU A 40 9.423 -14.063 0.466 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.552 -11.624 -1.135 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.466 -12.739 -0.330 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.488 -11.749 1.521 1.00 11.04 H new ATOM 0 HG3 GLU A 40 8.649 -10.420 0.747 1.00 11.04 H new ATOM 624 N GLN A 41 8.899 -15.473 -1.490 1.00 42.11 N ATOM 625 CA GLN A 41 8.642 -16.355 -2.623 1.00 75.52 C ATOM 626 C GLN A 41 7.187 -16.255 -3.072 1.00 53.35 C ATOM 627 O GLN A 41 6.297 -15.979 -2.268 1.00 61.42 O ATOM 628 CB GLN A 41 8.976 -17.802 -2.254 1.00 53.24 C ATOM 629 CG GLN A 41 10.444 -18.024 -1.927 1.00 24.20 C ATOM 630 CD GLN A 41 11.228 -18.570 -3.104 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.652 -19.087 -4.062 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.549 -18.455 -3.039 1.00 4.21 N ATOM 0 H GLN A 41 8.766 -15.908 -0.577 1.00 42.11 H new ATOM 0 HA GLN A 41 9.280 -16.041 -3.449 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.373 -18.098 -1.396 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.694 -18.453 -3.081 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.887 -17.081 -1.606 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.525 -18.716 -1.089 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.984 -18.019 -2.226 1.00 4.21 H new ATOM 0 HE22 GLN A 41 13.129 -18.802 -3.803 1.00 4.21 H new ATOM 641 N TRP A 42 6.955 -16.481 -4.360 1.00 43.02 N ATOM 642 CA TRP A 42 5.608 -16.415 -4.916 1.00 5.44 C ATOM 643 C TRP A 42 5.482 -17.312 -6.142 1.00 60.44 C ATOM 644 O TRP A 42 6.419 -17.436 -6.931 1.00 11.52 O ATOM 645 CB TRP A 42 5.257 -14.974 -5.284 1.00 34.30 C ATOM 646 CG TRP A 42 5.138 -14.068 -4.096 1.00 73.05 C ATOM 647 CD1 TRP A 42 6.133 -13.321 -3.532 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.958 -13.817 -3.325 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.642 -12.620 -2.457 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.311 -12.906 -2.310 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.638 -14.270 -3.395 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.390 -12.444 -1.373 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.726 -13.810 -2.464 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.104 -12.905 -1.464 1.00 22.13 C ATOM 0 H TRP A 42 7.681 -16.711 -5.038 1.00 43.02 H new ATOM 0 HA TRP A 42 4.910 -16.768 -4.157 1.00 5.44 H new ATOM 0 HB2 TRP A 42 6.021 -14.582 -5.955 1.00 34.30 H new ATOM 0 HB3 TRP A 42 4.316 -14.966 -5.833 1.00 34.30 H new ATOM 0 HD1 TRP A 42 7.155 -13.286 -3.880 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.182 -11.989 -1.865 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.336 -14.967 -4.163 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.680 -11.746 -0.601 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.703 -14.155 -2.508 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.367 -12.564 -0.751 1.00 22.13 H new ATOM 665 N ILE A 43 4.319 -17.935 -6.297 1.00 22.22 N ATOM 666 CA ILE A 43 4.071 -18.819 -7.429 1.00 14.53 C ATOM 667 C ILE A 43 2.962 -18.273 -8.321 1.00 73.12 C ATOM 668 O ILE A 43 1.834 -18.068 -7.874 1.00 34.33 O ATOM 669 CB ILE A 43 3.686 -20.237 -6.962 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.739 -20.782 -5.994 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.528 -21.163 -8.159 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.221 -20.973 -4.586 1.00 2.14 C ATOM 0 H ILE A 43 3.533 -17.844 -5.653 1.00 22.22 H new ATOM 0 HA ILE A 43 4.999 -18.871 -7.998 1.00 14.53 H new ATOM 0 HB ILE A 43 2.731 -20.186 -6.439 1.00 20.41 H new ATOM 0 HG12 ILE A 43 5.108 -21.736 -6.370 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.588 -20.099 -5.971 1.00 31.22 H new ATOM 0 HG21 ILE A 43 3.256 -22.161 -7.814 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.746 -20.780 -8.814 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.469 -21.213 -8.707 1.00 31.11 H new ATOM 0 HD11 ILE A 43 5.020 -21.361 -3.954 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.879 -20.016 -4.191 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.391 -21.679 -4.596 1.00 2.14 H new ATOM 684 N VAL A 44 3.291 -18.038 -9.588 1.00 32.54 N ATOM 685 CA VAL A 44 2.323 -17.517 -10.545 1.00 1.41 C ATOM 686 C VAL A 44 2.118 -18.488 -11.702 1.00 62.00 C ATOM 687 O VAL A 44 2.964 -18.599 -12.590 1.00 64.24 O ATOM 688 CB VAL A 44 2.767 -16.153 -11.106 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.560 -15.331 -11.530 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.600 -15.400 -10.080 1.00 14.24 C ATOM 0 H VAL A 44 4.221 -18.200 -9.975 1.00 32.54 H new ATOM 0 HA VAL A 44 1.383 -17.392 -10.008 1.00 1.41 H new ATOM 0 HB VAL A 44 3.386 -16.327 -11.986 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.894 -14.371 -11.924 1.00 0.24 H new ATOM 0 HG12 VAL A 44 1.007 -15.867 -12.302 1.00 0.24 H new ATOM 0 HG13 VAL A 44 0.912 -15.165 -10.669 1.00 0.24 H new ATOM 0 HG21 VAL A 44 3.905 -14.439 -10.494 1.00 14.24 H new ATOM 0 HG22 VAL A 44 3.008 -15.236 -9.180 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.485 -15.985 -9.830 1.00 14.24 H new ATOM 700 N ASP A 45 0.989 -19.187 -11.687 1.00 45.32 N ATOM 701 CA ASP A 45 0.671 -20.149 -12.736 1.00 21.31 C ATOM 702 C ASP A 45 0.009 -19.457 -13.924 1.00 43.53 C ATOM 703 O ASP A 45 -0.644 -18.424 -13.770 1.00 12.42 O ATOM 704 CB ASP A 45 -0.248 -21.245 -12.193 1.00 64.12 C ATOM 705 CG ASP A 45 -1.333 -21.631 -13.177 1.00 63.33 C ATOM 706 OD1 ASP A 45 -2.351 -20.910 -13.251 1.00 21.05 O ATOM 707 OD2 ASP A 45 -1.166 -22.654 -13.873 1.00 51.12 O1- ATOM 0 H ASP A 45 0.278 -19.106 -10.960 1.00 45.32 H new ATOM 0 HA ASP A 45 1.603 -20.602 -13.074 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.346 -22.125 -11.949 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.708 -20.903 -11.266 1.00 64.12 H new ATOM 712 N LEU A 46 0.185 -20.032 -15.109 1.00 52.01 N ATOM 713 CA LEU A 46 -0.394 -19.470 -16.325 1.00 33.22 C ATOM 714 C LEU A 46 -1.470 -20.391 -16.892 1.00 13.22 C ATOM 715 O LEU A 46 -2.238 -19.999 -17.770 1.00 72.41 O ATOM 716 CB LEU A 46 0.697 -19.236 -17.372 1.00 61.21 C ATOM 717 CG LEU A 46 1.872 -20.214 -17.347 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.473 -20.362 -18.736 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.928 -19.752 -16.353 1.00 32.43 C ATOM 0 H LEU A 46 0.723 -20.886 -15.254 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.856 -18.516 -16.071 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.239 -19.275 -18.360 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.087 -18.227 -17.241 1.00 61.21 H new ATOM 0 HG LEU A 46 1.503 -21.189 -17.028 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.308 -21.062 -18.699 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.715 -20.738 -19.422 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.828 -19.392 -19.084 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.757 -20.460 -16.348 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.294 -18.767 -16.642 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.491 -19.699 -15.356 1.00 32.43 H new ATOM 731 N LYS A 47 -1.521 -21.617 -16.381 1.00 32.14 N ATOM 732 CA LYS A 47 -2.505 -22.594 -16.833 1.00 73.41 C ATOM 733 C LYS A 47 -3.910 -22.188 -16.404 1.00 25.15 C ATOM 734 O LYS A 47 -4.832 -22.156 -17.220 1.00 30.54 O ATOM 735 CB LYS A 47 -2.170 -23.979 -16.276 1.00 12.14 C ATOM 736 CG LYS A 47 -0.708 -24.360 -16.429 1.00 71.22 C ATOM 737 CD LYS A 47 -0.553 -25.767 -16.983 1.00 44.04 C ATOM 738 CE LYS A 47 -0.426 -26.793 -15.867 1.00 52.41 C ATOM 739 NZ LYS A 47 -1.655 -27.623 -15.734 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.892 -21.958 -15.654 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.473 -22.629 -17.922 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.436 -24.010 -15.219 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.785 -24.723 -16.782 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.214 -23.650 -17.092 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.210 -24.292 -15.462 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.413 -26.011 -17.607 1.00 44.04 H new ATOM 0 HD3 LYS A 47 0.328 -25.813 -17.623 1.00 44.04 H new ATOM 0 HE2 LYS A 47 0.429 -27.439 -16.064 1.00 52.41 H new ATOM 0 HE3 LYS A 47 -0.229 -26.282 -14.925 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 -1.528 -28.310 -14.963 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 -2.467 -27.009 -15.521 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 -1.829 -28.131 -16.625 1.00 64.34 H new ATOM 753 N GLN A 48 -4.067 -21.878 -15.121 1.00 45.21 N ATOM 754 CA GLN A 48 -5.362 -21.473 -14.586 1.00 10.22 C ATOM 755 C GLN A 48 -5.364 -19.990 -14.229 1.00 4.23 C ATOM 756 O GLN A 48 -6.372 -19.454 -13.768 1.00 2.01 O ATOM 757 CB GLN A 48 -5.711 -22.307 -13.352 1.00 63.24 C ATOM 758 CG GLN A 48 -5.788 -23.800 -13.629 1.00 72.31 C ATOM 759 CD GLN A 48 -6.263 -24.592 -12.427 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.445 -24.915 -12.310 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.341 -24.911 -11.526 1.00 43.10 N ATOM 0 H GLN A 48 -3.314 -21.899 -14.433 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.114 -21.644 -15.356 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -4.964 -22.127 -12.579 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.668 -21.970 -12.955 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.464 -23.976 -14.466 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.805 -24.161 -13.932 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.372 -24.622 -11.663 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -5.601 -25.445 -10.697 1.00 43.10 H new ATOM 770 N LEU A 49 -4.230 -19.333 -14.446 1.00 40.44 N ATOM 771 CA LEU A 49 -4.101 -17.911 -14.148 1.00 12.54 C ATOM 772 C LEU A 49 -4.389 -17.636 -12.676 1.00 71.02 C ATOM 773 O LEU A 49 -5.429 -17.073 -12.330 1.00 2.15 O ATOM 774 CB LEU A 49 -5.052 -17.096 -15.027 1.00 75.10 C ATOM 775 CG LEU A 49 -4.687 -17.009 -16.509 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.248 -16.546 -16.678 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.899 -18.352 -17.191 1.00 22.10 C ATOM 0 H LEU A 49 -3.387 -19.762 -14.827 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.075 -17.612 -14.361 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.050 -17.526 -14.944 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.107 -16.084 -14.627 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.342 -16.277 -16.981 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.006 -16.490 -17.739 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.127 -15.562 -16.226 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.578 -17.254 -16.190 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -4.634 -18.271 -18.245 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -4.270 -19.105 -16.716 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -5.945 -18.644 -17.101 1.00 22.10 H new ATOM 789 N LYS A 50 -3.462 -18.033 -11.812 1.00 54.03 N ATOM 790 CA LYS A 50 -3.613 -17.826 -10.377 1.00 73.12 C ATOM 791 C LYS A 50 -2.291 -17.397 -9.746 1.00 13.13 C ATOM 792 O LYS A 50 -1.275 -17.279 -10.431 1.00 33.05 O ATOM 793 CB LYS A 50 -4.118 -19.107 -9.707 1.00 23.41 C ATOM 794 CG LYS A 50 -3.348 -20.351 -10.114 1.00 12.24 C ATOM 795 CD LYS A 50 -3.949 -21.604 -9.500 1.00 71.24 C ATOM 796 CE LYS A 50 -3.040 -22.192 -8.432 1.00 14.43 C ATOM 797 NZ LYS A 50 -3.468 -23.561 -8.031 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.596 -18.501 -12.081 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.343 -17.031 -10.225 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.056 -18.990 -8.625 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.171 -19.245 -9.953 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.348 -20.441 -11.200 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.308 -20.255 -9.802 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -4.919 -21.367 -9.063 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -4.123 -22.345 -10.280 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -2.016 -22.226 -8.805 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.039 -21.541 -7.558 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -2.823 -23.927 -7.302 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -4.435 -23.525 -7.651 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -3.445 -24.189 -8.860 1.00 41.23 H new ATOM 811 N VAL A 51 -2.313 -17.167 -8.437 1.00 11.01 N ATOM 812 CA VAL A 51 -1.116 -16.755 -7.714 1.00 51.13 C ATOM 813 C VAL A 51 -1.117 -17.302 -6.292 1.00 24.24 C ATOM 814 O VAL A 51 -2.157 -17.348 -5.633 1.00 11.33 O ATOM 815 CB VAL A 51 -0.993 -15.221 -7.662 1.00 74.54 C ATOM 816 CG1 VAL A 51 -2.301 -14.595 -7.202 1.00 60.22 C ATOM 817 CG2 VAL A 51 0.154 -14.809 -6.751 1.00 51.31 C ATOM 0 H VAL A 51 -3.146 -17.259 -7.856 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.263 -17.163 -8.256 1.00 51.13 H new ATOM 0 HB VAL A 51 -0.778 -14.857 -8.667 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -2.194 -13.511 -7.172 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -3.097 -14.862 -7.898 1.00 60.22 H new ATOM 0 HG13 VAL A 51 -2.550 -14.963 -6.207 1.00 60.22 H new ATOM 0 HG21 VAL A 51 0.226 -13.722 -6.726 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.029 -15.184 -5.744 1.00 51.31 H new ATOM 0 HG23 VAL A 51 1.087 -15.226 -7.130 1.00 51.31 H new ATOM 827 N ASP A 52 0.054 -17.717 -5.822 1.00 34.02 N ATOM 828 CA ASP A 52 0.190 -18.260 -4.475 1.00 10.05 C ATOM 829 C ASP A 52 1.498 -17.807 -3.835 1.00 41.12 C ATOM 830 O ASP A 52 2.373 -17.262 -4.508 1.00 32.23 O ATOM 831 CB ASP A 52 0.127 -19.788 -4.510 1.00 62.44 C ATOM 832 CG ASP A 52 -0.980 -20.302 -5.409 1.00 53.22 C ATOM 833 OD1 ASP A 52 -2.162 -20.024 -5.113 1.00 40.15 O ATOM 834 OD2 ASP A 52 -0.666 -20.980 -6.410 1.00 41.01 O1- ATOM 0 H ASP A 52 0.924 -17.688 -6.354 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.637 -17.883 -3.873 1.00 10.05 H new ATOM 0 HB2 ASP A 52 1.083 -20.180 -4.856 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.025 -20.166 -3.499 1.00 62.44 H new ATOM 839 N GLN A 53 1.624 -18.035 -2.532 1.00 45.12 N ATOM 840 CA GLN A 53 2.824 -17.648 -1.801 1.00 63.05 C ATOM 841 C GLN A 53 3.788 -18.824 -1.676 1.00 31.52 C ATOM 842 O GLN A 53 3.377 -19.983 -1.717 1.00 43.42 O ATOM 843 CB GLN A 53 2.456 -17.125 -0.412 1.00 21.35 C ATOM 844 CG GLN A 53 3.140 -15.816 -0.053 1.00 51.34 C ATOM 845 CD GLN A 53 3.968 -15.918 1.212 1.00 13.11 C ATOM 846 OE1 GLN A 53 3.715 -15.216 2.192 1.00 31.44 O ATOM 847 NE2 GLN A 53 4.965 -16.795 1.199 1.00 1.42 N ATOM 0 H GLN A 53 0.909 -18.486 -1.961 1.00 45.12 H new ATOM 0 HA GLN A 53 3.318 -16.854 -2.360 1.00 63.05 H new ATOM 0 HB2 GLN A 53 1.376 -16.987 -0.359 1.00 21.35 H new ATOM 0 HB3 GLN A 53 2.718 -17.878 0.332 1.00 21.35 H new ATOM 0 HG2 GLN A 53 3.781 -15.507 -0.879 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.386 -15.039 0.073 1.00 51.34 H new ATOM 0 HE21 GLN A 53 5.139 -17.357 0.366 1.00 1.42 H new ATOM 0 HE22 GLN A 53 5.556 -16.907 2.022 1.00 1.42 H new ATOM 856 N GLY A 54 5.072 -18.517 -1.522 1.00 60.23 N ATOM 857 CA GLY A 54 6.073 -19.559 -1.393 1.00 32.11 C ATOM 858 C GLY A 54 6.666 -19.964 -2.730 1.00 61.12 C ATOM 859 O GLY A 54 6.638 -19.191 -3.688 1.00 34.53 O ATOM 0 H GLY A 54 5.437 -17.565 -1.484 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.870 -19.213 -0.735 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.625 -20.432 -0.918 1.00 32.11 H new ATOM 863 N VAL A 55 7.202 -21.177 -2.794 1.00 63.32 N ATOM 864 CA VAL A 55 7.803 -21.683 -4.023 1.00 0.23 C ATOM 865 C VAL A 55 7.074 -22.927 -4.520 1.00 31.05 C ATOM 866 O VAL A 55 6.572 -23.723 -3.727 1.00 13.53 O ATOM 867 CB VAL A 55 9.292 -22.021 -3.821 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.459 -23.079 -2.741 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.916 -22.481 -5.130 1.00 61.54 C ATOM 0 H VAL A 55 7.233 -21.829 -2.010 1.00 63.32 H new ATOM 0 HA VAL A 55 7.715 -20.892 -4.768 1.00 0.23 H new ATOM 0 HB VAL A 55 9.810 -21.119 -3.495 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.518 -23.304 -2.613 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.051 -22.707 -1.801 1.00 35.12 H new ATOM 0 HG13 VAL A 55 8.928 -23.985 -3.034 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.968 -22.716 -4.969 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.397 -23.370 -5.488 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.831 -21.687 -5.872 1.00 61.54 H new ATOM 879 N PHE A 56 7.021 -23.087 -5.838 1.00 21.01 N ATOM 880 CA PHE A 56 6.353 -24.234 -6.442 1.00 21.13 C ATOM 881 C PHE A 56 7.258 -25.462 -6.424 1.00 72.32 C ATOM 882 O PHE A 56 8.477 -25.346 -6.294 1.00 54.15 O ATOM 883 CB PHE A 56 5.940 -23.911 -7.880 1.00 15.22 C ATOM 884 CG PHE A 56 5.023 -24.936 -8.485 1.00 13.30 C ATOM 885 CD1 PHE A 56 5.327 -25.525 -9.701 1.00 53.50 C ATOM 886 CD2 PHE A 56 3.858 -25.311 -7.836 1.00 11.02 C ATOM 887 CE1 PHE A 56 4.486 -26.468 -10.261 1.00 22.55 C ATOM 888 CE2 PHE A 56 3.014 -26.253 -8.390 1.00 40.34 C ATOM 889 CZ PHE A 56 3.327 -26.832 -9.604 1.00 32.22 C ATOM 0 H PHE A 56 7.432 -22.437 -6.508 1.00 21.01 H new ATOM 0 HA PHE A 56 5.461 -24.454 -5.856 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.448 -22.939 -7.898 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.835 -23.827 -8.496 1.00 15.22 H new ATOM 0 HD1 PHE A 56 6.233 -25.244 -10.218 1.00 53.50 H new ATOM 0 HD2 PHE A 56 3.607 -24.862 -6.886 1.00 11.02 H new ATOM 0 HE1 PHE A 56 4.735 -26.919 -11.210 1.00 22.55 H new ATOM 0 HE2 PHE A 56 2.109 -26.537 -7.874 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.667 -27.568 -10.039 1.00 32.22 H new ATOM 899 N ALA A 57 6.652 -26.637 -6.555 1.00 32.10 N ATOM 900 CA ALA A 57 7.403 -27.887 -6.556 1.00 4.40 C ATOM 901 C ALA A 57 8.517 -27.859 -7.597 1.00 45.14 C ATOM 902 O ALA A 57 9.577 -28.454 -7.404 1.00 5.11 O ATOM 903 CB ALA A 57 6.470 -29.063 -6.811 1.00 15.14 C ATOM 0 H ALA A 57 5.644 -26.750 -6.662 1.00 32.10 H new ATOM 0 HA ALA A 57 7.862 -28.006 -5.575 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.044 -29.990 -6.809 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.713 -29.103 -6.028 1.00 15.14 H new ATOM 0 HB3 ALA A 57 5.984 -28.939 -7.779 1.00 15.14 H new ATOM 909 N SER A 58 8.269 -27.164 -8.703 1.00 54.32 N ATOM 910 CA SER A 58 9.249 -27.062 -9.778 1.00 12.25 C ATOM 911 C SER A 58 8.727 -26.179 -10.907 1.00 23.03 C ATOM 912 O SER A 58 8.178 -26.657 -11.901 1.00 74.33 O ATOM 913 CB SER A 58 9.592 -28.451 -10.318 1.00 24.15 C ATOM 914 OG SER A 58 10.805 -28.929 -9.763 1.00 63.33 O ATOM 0 H SER A 58 7.398 -26.663 -8.878 1.00 54.32 H new ATOM 0 HA SER A 58 10.151 -26.606 -9.371 1.00 12.25 H new ATOM 0 HB2 SER A 58 8.784 -29.145 -10.086 1.00 24.15 H new ATOM 0 HB3 SER A 58 9.676 -28.412 -11.404 1.00 24.15 H new ATOM 0 HG SER A 58 10.748 -28.908 -8.785 1.00 63.33 H new ATOM 920 N PRO A 59 8.902 -24.858 -10.753 1.00 64.12 N ATOM 921 CA PRO A 59 8.456 -23.879 -11.750 1.00 73.32 C ATOM 922 C PRO A 59 9.282 -23.939 -13.030 1.00 23.22 C ATOM 923 O PRO A 59 10.498 -24.126 -12.988 1.00 4.44 O ATOM 924 CB PRO A 59 8.660 -22.537 -11.044 1.00 61.42 C ATOM 925 CG PRO A 59 9.731 -22.794 -10.043 1.00 4.13 C ATOM 926 CD PRO A 59 9.548 -24.218 -9.595 1.00 10.03 C ATOM 0 HA PRO A 59 7.428 -24.058 -12.066 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.955 -21.760 -11.749 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.742 -22.199 -10.563 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.718 -22.647 -10.481 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.651 -22.107 -9.201 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.501 -24.690 -9.355 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.927 -24.282 -8.702 1.00 10.03 H new ATOM 934 N ASP A 60 8.614 -23.778 -14.168 1.00 20.31 N ATOM 935 CA ASP A 60 9.287 -23.812 -15.461 1.00 71.05 C ATOM 936 C ASP A 60 10.216 -22.613 -15.622 1.00 72.31 C ATOM 937 O ASP A 60 11.079 -22.597 -16.501 1.00 5.43 O ATOM 938 CB ASP A 60 8.260 -23.833 -16.594 1.00 60.31 C ATOM 939 CG ASP A 60 8.281 -25.135 -17.371 1.00 74.41 C ATOM 940 OD1 ASP A 60 7.977 -25.109 -18.582 1.00 62.40 O ATOM 941 OD2 ASP A 60 8.603 -26.180 -16.768 1.00 72.43 O1- ATOM 0 H ASP A 60 7.607 -23.623 -14.221 1.00 20.31 H new ATOM 0 HA ASP A 60 9.886 -24.721 -15.507 1.00 71.05 H new ATOM 0 HB2 ASP A 60 7.264 -23.676 -16.180 1.00 60.31 H new ATOM 0 HB3 ASP A 60 8.457 -23.004 -17.274 1.00 60.31 H new ATOM 946 N VAL A 61 10.032 -21.610 -14.770 1.00 23.13 N ATOM 947 CA VAL A 61 10.854 -20.407 -14.816 1.00 4.42 C ATOM 948 C VAL A 61 11.005 -19.790 -13.430 1.00 2.01 C ATOM 949 O VAL A 61 10.117 -19.909 -12.585 1.00 3.25 O ATOM 950 CB VAL A 61 10.256 -19.357 -15.772 1.00 33.32 C ATOM 951 CG1 VAL A 61 11.108 -18.097 -15.781 1.00 0.55 C ATOM 952 CG2 VAL A 61 10.120 -19.929 -17.174 1.00 33.43 C ATOM 0 H VAL A 61 9.321 -21.607 -14.039 1.00 23.13 H new ATOM 0 HA VAL A 61 11.835 -20.707 -15.184 1.00 4.42 H new ATOM 0 HB VAL A 61 9.261 -19.091 -15.415 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.670 -17.367 -16.462 1.00 0.55 H new ATOM 0 HG12 VAL A 61 11.148 -17.678 -14.776 1.00 0.55 H new ATOM 0 HG13 VAL A 61 12.117 -18.342 -16.112 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.696 -19.174 -17.836 1.00 33.43 H new ATOM 0 HG22 VAL A 61 11.102 -20.225 -17.543 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.464 -20.799 -17.150 1.00 33.43 H new ATOM 962 N THR A 62 12.135 -19.127 -13.203 1.00 50.24 N ATOM 963 CA THR A 62 12.403 -18.491 -11.920 1.00 14.23 C ATOM 964 C THR A 62 12.684 -17.003 -12.092 1.00 31.34 C ATOM 965 O THR A 62 13.690 -16.615 -12.688 1.00 52.43 O ATOM 966 CB THR A 62 13.599 -19.149 -11.207 1.00 64.24 C ATOM 967 OG1 THR A 62 14.098 -20.238 -11.990 1.00 4.13 O ATOM 968 CG2 THR A 62 13.198 -19.651 -9.827 1.00 53.40 C ATOM 0 H THR A 62 12.879 -19.017 -13.892 1.00 50.24 H new ATOM 0 HA THR A 62 11.509 -18.620 -11.310 1.00 14.23 H new ATOM 0 HB THR A 62 14.381 -18.399 -11.090 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.624 -20.837 -11.420 1.00 4.13 H new ATOM 0 HG21 THR A 62 14.059 -20.112 -9.343 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.847 -18.814 -9.223 1.00 53.40 H new ATOM 0 HG23 THR A 62 12.400 -20.387 -9.925 1.00 53.40 H new ATOM 976 N VAL A 63 11.790 -16.171 -11.566 1.00 71.42 N ATOM 977 CA VAL A 63 11.944 -14.725 -11.660 1.00 52.44 C ATOM 978 C VAL A 63 12.537 -14.150 -10.379 1.00 12.25 C ATOM 979 O VAL A 63 12.031 -14.394 -9.283 1.00 15.12 O ATOM 980 CB VAL A 63 10.596 -14.035 -11.943 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.773 -12.525 -12.012 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.984 -14.568 -13.229 1.00 54.53 C ATOM 0 H VAL A 63 10.952 -16.474 -11.070 1.00 71.42 H new ATOM 0 HA VAL A 63 12.624 -14.533 -12.490 1.00 52.44 H new ATOM 0 HB VAL A 63 9.914 -14.260 -11.123 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.810 -12.055 -12.213 1.00 23.22 H new ATOM 0 HG12 VAL A 63 11.164 -12.161 -11.062 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.472 -12.277 -12.811 1.00 23.22 H new ATOM 0 HG21 VAL A 63 9.032 -14.069 -13.413 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.661 -14.376 -14.061 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.819 -15.641 -13.136 1.00 54.53 H new ATOM 992 N THR A 64 13.616 -13.386 -10.523 1.00 21.22 N ATOM 993 CA THR A 64 14.280 -12.777 -9.377 1.00 44.01 C ATOM 994 C THR A 64 14.313 -11.259 -9.505 1.00 25.10 C ATOM 995 O THR A 64 15.050 -10.710 -10.326 1.00 72.04 O ATOM 996 CB THR A 64 15.720 -13.301 -9.220 1.00 34.33 C ATOM 997 OG1 THR A 64 15.988 -14.301 -10.207 1.00 1.35 O ATOM 998 CG2 THR A 64 15.935 -13.881 -7.830 1.00 73.53 C ATOM 0 H THR A 64 14.048 -13.174 -11.422 1.00 21.22 H new ATOM 0 HA THR A 64 13.704 -13.051 -8.493 1.00 44.01 H new ATOM 0 HB THR A 64 16.405 -12.464 -9.358 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.945 -14.512 -10.207 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.959 -14.245 -7.742 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.759 -13.108 -7.082 1.00 73.53 H new ATOM 0 HG23 THR A 64 15.241 -14.706 -7.669 1.00 73.53 H new ATOM 1006 N VAL A 65 13.513 -10.583 -8.687 1.00 24.10 N ATOM 1007 CA VAL A 65 13.454 -9.126 -8.707 1.00 44.40 C ATOM 1008 C VAL A 65 13.481 -8.554 -7.294 1.00 72.43 C ATOM 1009 O VAL A 65 13.141 -9.239 -6.330 1.00 51.43 O ATOM 1010 CB VAL A 65 12.187 -8.626 -9.427 1.00 33.51 C ATOM 1011 CG1 VAL A 65 12.247 -7.119 -9.628 1.00 53.11 C ATOM 1012 CG2 VAL A 65 12.012 -9.343 -10.757 1.00 61.51 C ATOM 0 H VAL A 65 12.897 -11.021 -8.002 1.00 24.10 H new ATOM 0 HA VAL A 65 14.333 -8.782 -9.251 1.00 44.40 H new ATOM 0 HB VAL A 65 11.322 -8.851 -8.803 1.00 33.51 H new ATOM 0 HG11 VAL A 65 11.344 -6.784 -10.138 1.00 53.11 H new ATOM 0 HG12 VAL A 65 12.321 -6.625 -8.659 1.00 53.11 H new ATOM 0 HG13 VAL A 65 13.119 -6.867 -10.231 1.00 53.11 H new ATOM 0 HG21 VAL A 65 11.112 -8.977 -11.252 1.00 61.51 H new ATOM 0 HG22 VAL A 65 12.878 -9.151 -11.391 1.00 61.51 H new ATOM 0 HG23 VAL A 65 11.920 -10.415 -10.583 1.00 61.51 H new ATOM 1022 N GLY A 66 13.888 -7.294 -7.178 1.00 71.14 N ATOM 1023 CA GLY A 66 13.951 -6.652 -5.878 1.00 41.23 C ATOM 1024 C GLY A 66 12.679 -5.900 -5.540 1.00 23.54 C ATOM 1025 O GLY A 66 11.845 -5.650 -6.413 1.00 73.14 O ATOM 0 H GLY A 66 14.175 -6.706 -7.961 1.00 71.14 H new ATOM 0 HA2 GLY A 66 14.138 -7.405 -5.113 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.794 -5.961 -5.858 1.00 41.23 H new ATOM 1029 N LEU A 67 12.526 -5.540 -4.271 1.00 13.24 N ATOM 1030 CA LEU A 67 11.345 -4.813 -3.819 1.00 45.22 C ATOM 1031 C LEU A 67 11.186 -3.502 -4.581 1.00 21.23 C ATOM 1032 O LEU A 67 10.196 -3.296 -5.281 1.00 45.23 O ATOM 1033 CB LEU A 67 11.436 -4.536 -2.317 1.00 52.23 C ATOM 1034 CG LEU A 67 10.104 -4.418 -1.574 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.485 -5.791 -1.367 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.299 -3.712 -0.240 1.00 21.12 C ATOM 0 H LEU A 67 13.205 -5.740 -3.536 1.00 13.24 H new ATOM 0 HA LEU A 67 10.471 -5.433 -4.016 1.00 45.22 H new ATOM 0 HB2 LEU A 67 12.017 -5.334 -1.855 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.993 -3.611 -2.172 1.00 52.23 H new ATOM 0 HG LEU A 67 9.422 -3.823 -2.181 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.538 -5.687 -0.837 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.309 -6.261 -2.335 1.00 15.22 H new ATOM 0 HD13 LEU A 67 10.163 -6.411 -0.781 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.341 -3.637 0.275 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.998 -4.281 0.374 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.698 -2.712 -0.412 1.00 21.12 H new ATOM 1048 N GLU A 68 12.170 -2.619 -4.440 1.00 23.10 N ATOM 1049 CA GLU A 68 12.140 -1.329 -5.118 1.00 24.34 C ATOM 1050 C GLU A 68 11.865 -1.502 -6.607 1.00 61.31 C ATOM 1051 O GLU A 68 11.225 -0.656 -7.234 1.00 21.23 O ATOM 1052 CB GLU A 68 13.465 -0.591 -4.915 1.00 2.03 C ATOM 1053 CG GLU A 68 13.818 -0.361 -3.455 1.00 62.33 C ATOM 1054 CD GLU A 68 14.370 1.028 -3.200 1.00 54.24 C ATOM 1055 OE1 GLU A 68 14.937 1.623 -4.140 1.00 72.13 O ATOM 1056 OE2 GLU A 68 14.234 1.522 -2.061 1.00 60.41 O1- ATOM 0 H GLU A 68 12.997 -2.774 -3.863 1.00 23.10 H new ATOM 0 HA GLU A 68 11.333 -0.739 -4.684 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.265 -1.161 -5.388 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.416 0.372 -5.424 1.00 2.03 H new ATOM 0 HG2 GLU A 68 12.930 -0.513 -2.842 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.552 -1.103 -3.141 1.00 62.33 H new ATOM 1063 N ASP A 69 12.351 -2.603 -7.169 1.00 20.45 N ATOM 1064 CA ASP A 69 12.157 -2.889 -8.586 1.00 42.22 C ATOM 1065 C ASP A 69 10.688 -3.169 -8.887 1.00 43.43 C ATOM 1066 O ASP A 69 10.133 -2.648 -9.855 1.00 14.14 O ATOM 1067 CB ASP A 69 13.013 -4.083 -9.009 1.00 71.20 C ATOM 1068 CG ASP A 69 14.499 -3.794 -8.912 1.00 61.35 C ATOM 1069 OD1 ASP A 69 14.860 -2.627 -8.656 1.00 51.33 O ATOM 1070 OD2 ASP A 69 15.299 -4.735 -9.093 1.00 23.21 O1- ATOM 0 H ASP A 69 12.883 -3.313 -6.665 1.00 20.45 H new ATOM 0 HA ASP A 69 12.465 -2.011 -9.154 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.771 -4.940 -8.381 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.766 -4.359 -10.034 1.00 71.20 H new ATOM 1075 N MET A 70 10.064 -3.993 -8.053 1.00 54.02 N ATOM 1076 CA MET A 70 8.660 -4.342 -8.231 1.00 40.11 C ATOM 1077 C MET A 70 7.769 -3.117 -8.051 1.00 33.44 C ATOM 1078 O MET A 70 6.911 -2.833 -8.888 1.00 2.01 O ATOM 1079 CB MET A 70 8.253 -5.433 -7.238 1.00 64.44 C ATOM 1080 CG MET A 70 8.559 -6.841 -7.723 1.00 53.12 C ATOM 1081 SD MET A 70 7.101 -7.901 -7.747 1.00 44.35 S ATOM 1082 CE MET A 70 7.237 -8.627 -9.379 1.00 74.02 C ATOM 0 H MET A 70 10.509 -4.432 -7.247 1.00 54.02 H new ATOM 0 HA MET A 70 8.531 -4.718 -9.246 1.00 40.11 H new ATOM 0 HB2 MET A 70 8.768 -5.263 -6.293 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.185 -5.351 -7.038 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.983 -6.791 -8.726 1.00 53.12 H new ATOM 0 HG3 MET A 70 9.316 -7.286 -7.078 1.00 53.12 H new ATOM 0 HE1 MET A 70 6.477 -9.400 -9.498 1.00 74.02 H new ATOM 0 HE2 MET A 70 7.090 -7.855 -10.134 1.00 74.02 H new ATOM 0 HE3 MET A 70 8.226 -9.069 -9.499 1.00 74.02 H new ATOM 1092 N LEU A 71 7.976 -2.396 -6.955 1.00 4.41 N ATOM 1093 CA LEU A 71 7.191 -1.201 -6.666 1.00 52.32 C ATOM 1094 C LEU A 71 7.179 -0.255 -7.861 1.00 50.24 C ATOM 1095 O LEU A 71 6.185 0.424 -8.118 1.00 51.41 O ATOM 1096 CB LEU A 71 7.753 -0.482 -5.437 1.00 73.33 C ATOM 1097 CG LEU A 71 7.933 -1.338 -4.183 1.00 72.22 C ATOM 1098 CD1 LEU A 71 8.982 -0.729 -3.266 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.609 -1.494 -3.450 1.00 30.51 C ATOM 0 H LEU A 71 8.681 -2.618 -6.252 1.00 4.41 H new ATOM 0 HA LEU A 71 6.166 -1.511 -6.461 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.720 -0.053 -5.702 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.092 0.349 -5.193 1.00 73.33 H new ATOM 0 HG LEU A 71 8.277 -2.326 -4.488 1.00 72.22 H new ATOM 0 HD11 LEU A 71 9.096 -1.352 -2.379 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.935 -0.669 -3.792 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.668 0.272 -2.968 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.756 -2.106 -2.560 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.237 -0.512 -3.158 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.884 -1.976 -4.106 1.00 30.51 H new ATOM 1111 N ALA A 72 8.290 -0.216 -8.590 1.00 72.12 N ATOM 1112 CA ALA A 72 8.405 0.644 -9.762 1.00 10.33 C ATOM 1113 C ALA A 72 7.429 0.218 -10.854 1.00 3.31 C ATOM 1114 O ALA A 72 6.773 1.055 -11.473 1.00 20.22 O ATOM 1115 CB ALA A 72 9.831 0.627 -10.289 1.00 1.25 C ATOM 0 H ALA A 72 9.123 -0.770 -8.390 1.00 72.12 H new ATOM 0 HA ALA A 72 8.152 1.661 -9.463 1.00 10.33 H new ATOM 0 HB1 ALA A 72 9.903 1.273 -11.164 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.509 0.987 -9.515 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.104 -0.391 -10.566 1.00 1.25 H new ATOM 1121 N ILE A 73 7.342 -1.088 -11.085 1.00 10.35 N ATOM 1122 CA ILE A 73 6.446 -1.623 -12.102 1.00 70.44 C ATOM 1123 C ILE A 73 4.990 -1.532 -11.657 1.00 3.41 C ATOM 1124 O ILE A 73 4.185 -0.833 -12.273 1.00 51.33 O ATOM 1125 CB ILE A 73 6.779 -3.092 -12.429 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.292 -3.276 -12.563 1.00 5.34 C ATOM 1127 CG2 ILE A 73 6.073 -3.523 -13.705 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.695 -4.667 -13.001 1.00 20.44 C ATOM 0 H ILE A 73 7.880 -1.794 -10.582 1.00 10.35 H new ATOM 0 HA ILE A 73 6.588 -1.017 -12.997 1.00 70.44 H new ATOM 0 HB ILE A 73 6.426 -3.721 -11.611 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.676 -2.552 -13.282 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.763 -3.055 -11.605 1.00 5.34 H new ATOM 0 HG21 ILE A 73 6.318 -4.563 -13.923 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.995 -3.423 -13.576 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.399 -2.892 -14.532 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.781 -4.725 -13.075 1.00 20.44 H new ATOM 0 HD12 ILE A 73 8.342 -5.395 -12.271 1.00 20.44 H new ATOM 0 HD13 ILE A 73 8.253 -4.885 -13.973 1.00 20.44 H new ATOM 1140 N SER A 74 4.659 -2.241 -10.582 1.00 34.22 N ATOM 1141 CA SER A 74 3.300 -2.240 -10.055 1.00 34.44 C ATOM 1142 C SER A 74 2.873 -0.832 -9.654 1.00 12.00 C ATOM 1143 O SER A 74 1.684 -0.548 -9.514 1.00 4.54 O ATOM 1144 CB SER A 74 3.198 -3.180 -8.851 1.00 32.15 C ATOM 1145 OG SER A 74 2.396 -2.613 -7.830 1.00 43.53 O ATOM 0 H SER A 74 5.314 -2.823 -10.060 1.00 34.22 H new ATOM 0 HA SER A 74 2.631 -2.592 -10.840 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.773 -4.133 -9.165 1.00 32.15 H new ATOM 0 HB3 SER A 74 4.195 -3.388 -8.462 1.00 32.15 H new ATOM 0 HG SER A 74 1.461 -2.874 -7.966 1.00 43.53 H new ATOM 1151 N GLY A 75 3.853 0.047 -9.471 1.00 30.23 N ATOM 1152 CA GLY A 75 3.560 1.415 -9.088 1.00 71.54 C ATOM 1153 C GLY A 75 3.281 2.305 -10.283 1.00 52.41 C ATOM 1154 O GLY A 75 3.263 3.531 -10.164 1.00 72.55 O ATOM 0 H GLY A 75 4.845 -0.164 -9.581 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.697 1.426 -8.422 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.402 1.820 -8.526 1.00 71.54 H new ATOM 1158 N LYS A 76 3.064 1.689 -11.439 1.00 72.22 N ATOM 1159 CA LYS A 76 2.786 2.432 -12.663 1.00 63.32 C ATOM 1160 C LYS A 76 3.782 3.572 -12.846 1.00 4.25 C ATOM 1161 O LYS A 76 3.457 4.609 -13.425 1.00 51.51 O ATOM 1162 CB LYS A 76 1.360 2.987 -12.634 1.00 43.21 C ATOM 1163 CG LYS A 76 1.172 4.129 -11.650 1.00 10.13 C ATOM 1164 CD LYS A 76 -0.045 4.969 -11.998 1.00 41.34 C ATOM 1165 CE LYS A 76 0.345 6.228 -12.757 1.00 40.22 C ATOM 1166 NZ LYS A 76 0.390 5.998 -14.227 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.075 0.676 -11.555 1.00 72.22 H new ATOM 0 HA LYS A 76 2.886 1.747 -13.505 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.093 3.331 -13.633 1.00 43.21 H new ATOM 0 HB3 LYS A 76 0.671 2.182 -12.379 1.00 43.21 H new ATOM 0 HG2 LYS A 76 1.063 3.728 -10.642 1.00 10.13 H new ATOM 0 HG3 LYS A 76 2.062 4.759 -11.648 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -0.735 4.379 -12.601 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -0.573 5.243 -11.084 1.00 41.34 H new ATOM 0 HE2 LYS A 76 -0.369 7.021 -12.535 1.00 40.22 H new ATOM 0 HE3 LYS A 76 1.321 6.572 -12.413 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 0.559 6.901 -14.715 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 1.158 5.334 -14.451 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -0.516 5.598 -14.544 1.00 53.25 H new ATOM 1180 N THR A 77 4.999 3.374 -12.349 1.00 13.43 N ATOM 1181 CA THR A 77 6.043 4.384 -12.458 1.00 43.43 C ATOM 1182 C THR A 77 7.086 3.989 -13.497 1.00 63.21 C ATOM 1183 O THR A 77 7.628 4.840 -14.204 1.00 21.54 O ATOM 1184 CB THR A 77 6.745 4.616 -11.106 1.00 71.41 C ATOM 1185 OG1 THR A 77 7.472 3.444 -10.725 1.00 24.34 O ATOM 1186 CG2 THR A 77 5.734 4.966 -10.025 1.00 61.23 C ATOM 0 H THR A 77 5.285 2.522 -11.867 1.00 13.43 H new ATOM 0 HA THR A 77 5.556 5.308 -12.770 1.00 43.43 H new ATOM 0 HB THR A 77 7.436 5.451 -11.219 1.00 71.41 H new ATOM 0 HG1 THR A 77 6.883 2.662 -10.778 1.00 24.34 H new ATOM 0 HG21 THR A 77 6.253 5.125 -9.080 1.00 61.23 H new ATOM 0 HG22 THR A 77 5.202 5.875 -10.305 1.00 61.23 H new ATOM 0 HG23 THR A 77 5.022 4.148 -9.915 1.00 61.23 H new ATOM 1194 N LEU A 78 7.362 2.693 -13.586 1.00 61.23 N ATOM 1195 CA LEU A 78 8.340 2.183 -14.542 1.00 64.41 C ATOM 1196 C LEU A 78 7.733 1.088 -15.413 1.00 4.21 C ATOM 1197 O LEU A 78 6.634 0.601 -15.140 1.00 64.35 O ATOM 1198 CB LEU A 78 9.567 1.642 -13.805 1.00 40.00 C ATOM 1199 CG LEU A 78 10.889 1.696 -14.573 1.00 14.14 C ATOM 1200 CD1 LEU A 78 11.997 2.247 -13.690 1.00 21.42 C ATOM 1201 CD2 LEU A 78 11.258 0.316 -15.097 1.00 52.03 C ATOM 0 H LEU A 78 6.923 1.976 -13.008 1.00 61.23 H new ATOM 0 HA LEU A 78 8.644 3.007 -15.187 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.685 2.202 -12.878 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.372 0.606 -13.529 1.00 40.00 H new ATOM 0 HG LEU A 78 10.765 2.365 -15.425 1.00 14.14 H new ATOM 0 HD11 LEU A 78 12.930 2.278 -14.253 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.736 3.254 -13.365 1.00 21.42 H new ATOM 0 HD13 LEU A 78 12.121 1.605 -12.818 1.00 21.42 H new ATOM 0 HD21 LEU A 78 12.201 0.373 -15.641 1.00 52.03 H new ATOM 0 HD22 LEU A 78 11.363 -0.375 -14.260 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.475 -0.041 -15.766 1.00 52.03 H new ATOM 1213 N THR A 79 8.453 0.704 -16.462 1.00 53.44 N ATOM 1214 CA THR A 79 7.986 -0.334 -17.371 1.00 2.24 C ATOM 1215 C THR A 79 8.921 -1.538 -17.360 1.00 31.21 C ATOM 1216 O THR A 79 10.127 -1.398 -17.157 1.00 53.42 O ATOM 1217 CB THR A 79 7.868 0.196 -18.813 1.00 73.11 C ATOM 1218 OG1 THR A 79 8.674 1.368 -18.973 1.00 25.35 O ATOM 1219 CG2 THR A 79 6.421 0.520 -19.154 1.00 71.32 C ATOM 0 H THR A 79 9.363 1.097 -16.703 1.00 53.44 H new ATOM 0 HA THR A 79 7.000 -0.641 -17.021 1.00 2.24 H new ATOM 0 HB THR A 79 8.220 -0.581 -19.491 1.00 73.11 H new ATOM 0 HG1 THR A 79 8.594 1.697 -19.893 1.00 25.35 H new ATOM 0 HG21 THR A 79 6.363 0.892 -20.177 1.00 71.32 H new ATOM 0 HG22 THR A 79 5.815 -0.381 -19.061 1.00 71.32 H new ATOM 0 HG23 THR A 79 6.047 1.281 -18.469 1.00 71.32 H new ATOM 1227 N VAL A 80 8.357 -2.721 -17.579 1.00 5.33 N ATOM 1228 CA VAL A 80 9.141 -3.950 -17.594 1.00 10.20 C ATOM 1229 C VAL A 80 10.279 -3.863 -18.607 1.00 63.11 C ATOM 1230 O VAL A 80 11.411 -4.246 -18.317 1.00 72.02 O ATOM 1231 CB VAL A 80 8.264 -5.171 -17.929 1.00 1.42 C ATOM 1232 CG1 VAL A 80 9.109 -6.434 -17.998 1.00 32.31 C ATOM 1233 CG2 VAL A 80 7.149 -5.322 -16.904 1.00 54.23 C ATOM 0 H VAL A 80 7.360 -2.854 -17.748 1.00 5.33 H new ATOM 0 HA VAL A 80 9.556 -4.073 -16.594 1.00 10.20 H new ATOM 0 HB VAL A 80 7.810 -5.013 -18.907 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.472 -7.286 -18.236 1.00 32.31 H new ATOM 0 HG12 VAL A 80 9.868 -6.322 -18.772 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.593 -6.601 -17.036 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.539 -6.189 -17.155 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.582 -5.458 -15.913 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.527 -4.427 -16.909 1.00 54.23 H new ATOM 1243 N GLY A 81 9.968 -3.358 -19.796 1.00 1.42 N ATOM 1244 CA GLY A 81 10.974 -3.229 -20.834 1.00 4.53 C ATOM 1245 C GLY A 81 12.137 -2.356 -20.409 1.00 72.43 C ATOM 1246 O GLY A 81 13.275 -2.581 -20.822 1.00 54.32 O ATOM 0 H GLY A 81 9.037 -3.036 -20.060 1.00 1.42 H new ATOM 0 HA2 GLY A 81 11.345 -4.219 -21.101 1.00 4.53 H new ATOM 0 HA3 GLY A 81 10.516 -2.808 -21.729 1.00 4.53 H new ATOM 1250 N ASP A 82 11.853 -1.357 -19.581 1.00 14.13 N ATOM 1251 CA ASP A 82 12.885 -0.446 -19.100 1.00 21.43 C ATOM 1252 C ASP A 82 13.722 -1.101 -18.006 1.00 23.42 C ATOM 1253 O ASP A 82 14.948 -0.997 -18.004 1.00 72.21 O ATOM 1254 CB ASP A 82 12.251 0.842 -18.571 1.00 22.14 C ATOM 1255 CG ASP A 82 12.396 2.000 -19.539 1.00 13.02 C ATOM 1256 OD1 ASP A 82 11.372 2.642 -19.853 1.00 14.15 O ATOM 1257 OD2 ASP A 82 13.533 2.263 -19.982 1.00 41.32 O1- ATOM 0 H ASP A 82 10.917 -1.157 -19.229 1.00 14.13 H new ATOM 0 HA ASP A 82 13.540 -0.204 -19.937 1.00 21.43 H new ATOM 0 HB2 ASP A 82 11.193 0.668 -18.373 1.00 22.14 H new ATOM 0 HB3 ASP A 82 12.714 1.107 -17.620 1.00 22.14 H new ATOM 1262 N ALA A 83 13.051 -1.777 -17.079 1.00 45.42 N ATOM 1263 CA ALA A 83 13.734 -2.452 -15.982 1.00 21.54 C ATOM 1264 C ALA A 83 14.545 -3.639 -16.487 1.00 74.42 C ATOM 1265 O ALA A 83 15.613 -3.945 -15.956 1.00 71.11 O ATOM 1266 CB ALA A 83 12.728 -2.904 -14.933 1.00 12.34 C ATOM 0 H ALA A 83 12.035 -1.872 -17.066 1.00 45.42 H new ATOM 0 HA ALA A 83 14.425 -1.743 -15.526 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.251 -3.407 -14.120 1.00 12.34 H new ATOM 0 HB2 ALA A 83 12.196 -2.037 -14.541 1.00 12.34 H new ATOM 0 HB3 ALA A 83 12.015 -3.593 -15.386 1.00 12.34 H new ATOM 1272 N LEU A 84 14.031 -4.308 -17.514 1.00 41.30 N ATOM 1273 CA LEU A 84 14.707 -5.463 -18.091 1.00 72.41 C ATOM 1274 C LEU A 84 16.151 -5.127 -18.447 1.00 23.24 C ATOM 1275 O LEU A 84 17.080 -5.832 -18.054 1.00 61.34 O ATOM 1276 CB LEU A 84 13.962 -5.947 -19.335 1.00 54.12 C ATOM 1277 CG LEU A 84 13.524 -7.412 -19.329 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.733 -8.332 -19.406 1.00 35.23 C ATOM 1279 CD2 LEU A 84 12.698 -7.716 -18.087 1.00 24.15 C ATOM 0 H LEU A 84 13.147 -4.069 -17.964 1.00 41.30 H new ATOM 0 HA LEU A 84 14.712 -6.259 -17.346 1.00 72.41 H new ATOM 0 HB2 LEU A 84 13.077 -5.325 -19.469 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.601 -5.783 -20.203 1.00 54.12 H new ATOM 0 HG LEU A 84 12.903 -7.589 -20.207 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.401 -9.370 -19.401 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.284 -8.132 -20.325 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.381 -8.154 -18.548 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.395 -8.763 -18.099 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.295 -7.521 -17.196 1.00 24.15 H new ATOM 0 HD23 LEU A 84 11.812 -7.082 -18.075 1.00 24.15 H new ATOM 1291 N LYS A 85 16.333 -4.043 -19.194 1.00 13.23 N ATOM 1292 CA LYS A 85 17.665 -3.610 -19.602 1.00 53.44 C ATOM 1293 C LYS A 85 18.530 -3.292 -18.387 1.00 73.11 C ATOM 1294 O LYS A 85 19.680 -3.722 -18.304 1.00 1.12 O ATOM 1295 CB LYS A 85 17.568 -2.380 -20.508 1.00 25.42 C ATOM 1296 CG LYS A 85 18.011 -2.641 -21.937 1.00 52.24 C ATOM 1297 CD LYS A 85 17.332 -1.693 -22.912 1.00 12.13 C ATOM 1298 CE LYS A 85 16.852 -2.425 -24.157 1.00 30.01 C ATOM 1299 NZ LYS A 85 16.111 -1.521 -25.080 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.575 -3.448 -19.529 1.00 13.23 H new ATOM 0 HA LYS A 85 18.132 -4.426 -20.154 1.00 53.44 H new ATOM 0 HB2 LYS A 85 16.538 -2.025 -20.515 1.00 25.42 H new ATOM 0 HB3 LYS A 85 18.178 -1.580 -20.088 1.00 25.42 H new ATOM 0 HG2 LYS A 85 19.093 -2.527 -22.010 1.00 52.24 H new ATOM 0 HG3 LYS A 85 17.780 -3.671 -22.208 1.00 52.24 H new ATOM 0 HD2 LYS A 85 16.486 -1.211 -22.423 1.00 12.13 H new ATOM 0 HD3 LYS A 85 18.027 -0.904 -23.198 1.00 12.13 H new ATOM 0 HE2 LYS A 85 17.707 -2.855 -24.678 1.00 30.01 H new ATOM 0 HE3 LYS A 85 16.207 -3.254 -23.865 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 15.801 -2.057 -25.916 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 15.280 -1.131 -24.591 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 16.734 -0.744 -25.379 1.00 0.02 H new ATOM 1313 N GLN A 86 17.969 -2.539 -17.447 1.00 11.43 N ATOM 1314 CA GLN A 86 18.689 -2.164 -16.236 1.00 53.23 C ATOM 1315 C GLN A 86 19.172 -3.402 -15.486 1.00 21.22 C ATOM 1316 O GLN A 86 20.273 -3.417 -14.936 1.00 41.42 O ATOM 1317 CB GLN A 86 17.796 -1.318 -15.326 1.00 12.42 C ATOM 1318 CG GLN A 86 17.358 -0.006 -15.954 1.00 73.05 C ATOM 1319 CD GLN A 86 17.204 1.106 -14.935 1.00 42.21 C ATOM 1320 OE1 GLN A 86 18.191 1.683 -14.476 1.00 72.11 O ATOM 1321 NE2 GLN A 86 15.963 1.413 -14.576 1.00 61.43 N ATOM 0 H GLN A 86 17.017 -2.176 -17.501 1.00 11.43 H new ATOM 0 HA GLN A 86 19.558 -1.575 -16.528 1.00 53.23 H new ATOM 0 HB2 GLN A 86 16.912 -1.897 -15.059 1.00 12.42 H new ATOM 0 HB3 GLN A 86 18.331 -1.107 -14.400 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.088 0.294 -16.706 1.00 73.05 H new ATOM 0 HG3 GLN A 86 16.410 -0.154 -16.471 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.175 0.909 -14.982 1.00 61.43 H new ATOM 0 HE22 GLN A 86 15.798 2.153 -13.894 1.00 61.43 H new ATOM 1330 N GLY A 87 18.341 -4.440 -15.468 1.00 0.43 N ATOM 1331 CA GLY A 87 18.701 -5.667 -14.783 1.00 2.32 C ATOM 1332 C GLY A 87 17.930 -5.858 -13.492 1.00 44.42 C ATOM 1333 O GLY A 87 18.423 -6.482 -12.551 1.00 32.22 O ATOM 0 H GLY A 87 17.425 -4.453 -15.916 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.516 -6.515 -15.442 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.769 -5.659 -14.567 1.00 2.32 H new ATOM 1337 N LYS A 88 16.717 -5.317 -13.443 1.00 21.33 N ATOM 1338 CA LYS A 88 15.876 -5.429 -12.257 1.00 11.34 C ATOM 1339 C LYS A 88 15.254 -6.819 -12.162 1.00 1.12 C ATOM 1340 O LYS A 88 15.060 -7.348 -11.067 1.00 61.44 O ATOM 1341 CB LYS A 88 14.775 -4.368 -12.286 1.00 75.34 C ATOM 1342 CG LYS A 88 15.286 -2.968 -12.583 1.00 24.51 C ATOM 1343 CD LYS A 88 15.976 -2.359 -11.374 1.00 73.13 C ATOM 1344 CE LYS A 88 17.287 -1.689 -11.759 1.00 11.13 C ATOM 1345 NZ LYS A 88 17.965 -1.078 -10.582 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.294 -4.796 -14.212 1.00 21.33 H new ATOM 0 HA LYS A 88 16.503 -5.269 -11.380 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.037 -4.643 -13.039 1.00 75.34 H new ATOM 0 HB3 LYS A 88 14.262 -4.362 -11.324 1.00 75.34 H new ATOM 0 HG2 LYS A 88 15.982 -3.004 -13.421 1.00 24.51 H new ATOM 0 HG3 LYS A 88 14.454 -2.333 -12.887 1.00 24.51 H new ATOM 0 HD2 LYS A 88 15.316 -1.628 -10.907 1.00 73.13 H new ATOM 0 HD3 LYS A 88 16.167 -3.135 -10.633 1.00 73.13 H new ATOM 0 HE2 LYS A 88 17.949 -2.423 -12.218 1.00 11.13 H new ATOM 0 HE3 LYS A 88 17.096 -0.920 -12.507 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 18.854 -0.632 -10.886 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 17.344 -0.359 -10.158 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 18.171 -1.816 -9.878 1.00 30.44 H new ATOM 1359 N ILE A 89 14.946 -7.405 -13.313 1.00 4.34 N ATOM 1360 CA ILE A 89 14.349 -8.735 -13.357 1.00 61.10 C ATOM 1361 C ILE A 89 15.356 -9.774 -13.837 1.00 40.34 C ATOM 1362 O ILE A 89 15.960 -9.623 -14.898 1.00 73.31 O ATOM 1363 CB ILE A 89 13.116 -8.767 -14.280 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.303 -7.480 -14.128 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.255 -9.983 -13.971 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.263 -7.290 -15.209 1.00 63.11 C ATOM 0 H ILE A 89 15.100 -6.981 -14.228 1.00 4.34 H new ATOM 0 HA ILE A 89 14.039 -8.976 -12.340 1.00 61.10 H new ATOM 0 HB ILE A 89 13.456 -8.839 -15.313 1.00 34.53 H new ATOM 0 HG12 ILE A 89 11.809 -7.485 -13.157 1.00 63.53 H new ATOM 0 HG13 ILE A 89 12.983 -6.628 -14.135 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.388 -9.992 -14.631 1.00 22.12 H new ATOM 0 HG22 ILE A 89 12.838 -10.891 -14.126 1.00 22.12 H new ATOM 0 HG23 ILE A 89 11.921 -9.939 -12.934 1.00 22.12 H new ATOM 0 HD11 ILE A 89 10.726 -6.357 -15.037 1.00 63.11 H new ATOM 0 HD12 ILE A 89 11.752 -7.252 -16.182 1.00 63.11 H new ATOM 0 HD13 ILE A 89 10.560 -8.123 -15.188 1.00 63.11 H new ATOM 1378 N GLU A 90 15.531 -10.829 -13.047 1.00 44.31 N ATOM 1379 CA GLU A 90 16.465 -11.894 -13.392 1.00 3.44 C ATOM 1380 C GLU A 90 15.758 -13.011 -14.155 1.00 63.21 C ATOM 1381 O GLU A 90 14.585 -13.299 -13.911 1.00 12.42 O ATOM 1382 CB GLU A 90 17.119 -12.458 -12.130 1.00 21.54 C ATOM 1383 CG GLU A 90 18.606 -12.164 -12.031 1.00 21.32 C ATOM 1384 CD GLU A 90 19.432 -13.410 -11.778 1.00 53.14 C ATOM 1385 OE1 GLU A 90 19.339 -13.966 -10.664 1.00 2.24 O ATOM 1386 OE2 GLU A 90 20.171 -13.829 -12.694 1.00 73.11 O1- ATOM 0 H GLU A 90 15.039 -10.969 -12.165 1.00 44.31 H new ATOM 0 HA GLU A 90 17.238 -11.471 -14.034 1.00 3.44 H new ATOM 0 HB2 GLU A 90 16.617 -12.045 -11.255 1.00 21.54 H new ATOM 0 HB3 GLU A 90 16.968 -13.537 -12.104 1.00 21.54 H new ATOM 0 HG2 GLU A 90 18.941 -11.692 -12.954 1.00 21.32 H new ATOM 0 HG3 GLU A 90 18.778 -11.449 -11.227 1.00 21.32 H new ATOM 1393 N LEU A 91 16.480 -13.638 -15.078 1.00 41.35 N ATOM 1394 CA LEU A 91 15.923 -14.724 -15.877 1.00 12.31 C ATOM 1395 C LEU A 91 16.581 -16.054 -15.523 1.00 71.23 C ATOM 1396 O LEU A 91 17.800 -16.197 -15.612 1.00 24.34 O ATOM 1397 CB LEU A 91 16.106 -14.432 -17.368 1.00 34.35 C ATOM 1398 CG LEU A 91 15.808 -13.000 -17.813 1.00 43.14 C ATOM 1399 CD1 LEU A 91 15.929 -12.874 -19.324 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.422 -12.575 -17.350 1.00 15.23 C ATOM 0 H LEU A 91 17.452 -13.413 -15.291 1.00 41.35 H new ATOM 0 HA LEU A 91 14.858 -14.796 -15.655 1.00 12.31 H new ATOM 0 HB2 LEU A 91 17.134 -14.669 -17.641 1.00 34.35 H new ATOM 0 HB3 LEU A 91 15.463 -15.108 -17.932 1.00 34.35 H new ATOM 0 HG LEU A 91 16.542 -12.337 -17.354 1.00 43.14 H new ATOM 0 HD11 LEU A 91 15.713 -11.848 -19.622 1.00 21.14 H new ATOM 0 HD12 LEU A 91 16.942 -13.136 -19.631 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.219 -13.548 -19.803 1.00 21.14 H new ATOM 0 HD21 LEU A 91 14.227 -11.553 -17.676 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.674 -13.242 -17.780 1.00 15.23 H new ATOM 0 HD23 LEU A 91 14.370 -12.625 -16.262 1.00 15.23 H new ATOM 1412 N SER A 92 15.765 -17.024 -15.123 1.00 62.30 N ATOM 1413 CA SER A 92 16.269 -18.341 -14.754 1.00 12.01 C ATOM 1414 C SER A 92 15.399 -19.442 -15.352 1.00 53.43 C ATOM 1415 O SER A 92 14.216 -19.237 -15.621 1.00 42.11 O ATOM 1416 CB SER A 92 16.316 -18.485 -13.231 1.00 32.04 C ATOM 1417 OG SER A 92 16.554 -19.829 -12.852 1.00 24.24 O ATOM 0 H SER A 92 14.753 -16.923 -15.046 1.00 62.30 H new ATOM 0 HA SER A 92 17.278 -18.441 -15.153 1.00 12.01 H new ATOM 0 HB2 SER A 92 17.101 -17.846 -12.826 1.00 32.04 H new ATOM 0 HB3 SER A 92 15.374 -18.144 -12.801 1.00 32.04 H new ATOM 0 HG SER A 92 15.701 -20.306 -12.785 1.00 24.24 H new ATOM 1423 N GLY A 93 15.995 -20.612 -15.559 1.00 72.14 N ATOM 1424 CA GLY A 93 15.261 -21.729 -16.125 1.00 41.14 C ATOM 1425 C GLY A 93 14.934 -21.525 -17.592 1.00 52.41 C ATOM 1426 O GLY A 93 15.636 -22.031 -18.467 1.00 72.03 O ATOM 0 H GLY A 93 16.973 -20.807 -15.345 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.847 -22.641 -16.010 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.336 -21.872 -15.566 1.00 41.14 H new ATOM 1430 N ASP A 94 13.865 -20.784 -17.860 1.00 50.01 N ATOM 1431 CA ASP A 94 13.447 -20.514 -19.231 1.00 42.00 C ATOM 1432 C ASP A 94 13.173 -19.027 -19.433 1.00 61.22 C ATOM 1433 O ASP A 94 12.074 -18.545 -19.161 1.00 24.31 O ATOM 1434 CB ASP A 94 12.196 -21.325 -19.573 1.00 44.20 C ATOM 1435 CG ASP A 94 12.394 -22.207 -20.791 1.00 62.13 C ATOM 1436 OD1 ASP A 94 11.662 -22.018 -21.786 1.00 22.23 O ATOM 1437 OD2 ASP A 94 13.281 -23.084 -20.750 1.00 42.01 O1- ATOM 0 H ASP A 94 13.272 -20.360 -17.147 1.00 50.01 H new ATOM 0 HA ASP A 94 14.258 -20.810 -19.897 1.00 42.00 H new ATOM 0 HB2 ASP A 94 11.924 -21.945 -18.719 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.363 -20.645 -19.752 1.00 44.20 H new ATOM 1442 N ALA A 95 14.182 -18.304 -19.911 1.00 52.22 N ATOM 1443 CA ALA A 95 14.050 -16.873 -20.150 1.00 61.03 C ATOM 1444 C ALA A 95 12.995 -16.589 -21.215 1.00 63.24 C ATOM 1445 O ALA A 95 12.338 -15.549 -21.189 1.00 24.01 O ATOM 1446 CB ALA A 95 15.390 -16.281 -20.561 1.00 22.22 C ATOM 0 H ALA A 95 15.099 -18.687 -20.140 1.00 52.22 H new ATOM 0 HA ALA A 95 13.727 -16.403 -19.221 1.00 61.03 H new ATOM 0 HB1 ALA A 95 15.277 -15.211 -20.736 1.00 22.22 H new ATOM 0 HB2 ALA A 95 16.118 -16.443 -19.767 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.736 -16.764 -21.475 1.00 22.22 H new ATOM 1452 N ASP A 96 12.841 -17.520 -22.151 1.00 31.21 N ATOM 1453 CA ASP A 96 11.866 -17.369 -23.224 1.00 63.04 C ATOM 1454 C ASP A 96 10.453 -17.245 -22.663 1.00 71.11 C ATOM 1455 O ASP A 96 9.677 -16.388 -23.087 1.00 42.54 O ATOM 1456 CB ASP A 96 11.944 -18.559 -24.184 1.00 13.52 C ATOM 1457 CG ASP A 96 11.560 -18.185 -25.602 1.00 14.13 C ATOM 1458 OD1 ASP A 96 11.911 -17.068 -26.036 1.00 42.02 O ATOM 1459 OD2 ASP A 96 10.911 -19.010 -26.277 1.00 51.14 O1- ATOM 0 H ASP A 96 13.379 -18.386 -22.188 1.00 31.21 H new ATOM 0 HA ASP A 96 12.102 -16.455 -23.769 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.957 -18.960 -24.179 1.00 13.52 H new ATOM 0 HB3 ASP A 96 11.285 -19.352 -23.829 1.00 13.52 H new ATOM 1464 N LEU A 97 10.124 -18.107 -21.707 1.00 21.24 N ATOM 1465 CA LEU A 97 8.804 -18.096 -21.087 1.00 53.03 C ATOM 1466 C LEU A 97 8.550 -16.772 -20.372 1.00 34.03 C ATOM 1467 O LEU A 97 7.492 -16.162 -20.532 1.00 22.40 O ATOM 1468 CB LEU A 97 8.673 -19.255 -20.097 1.00 23.04 C ATOM 1469 CG LEU A 97 7.592 -20.290 -20.416 1.00 32.22 C ATOM 1470 CD1 LEU A 97 7.498 -21.322 -19.303 1.00 33.50 C ATOM 1471 CD2 LEU A 97 6.248 -19.609 -20.628 1.00 13.34 C ATOM 0 H LEU A 97 10.754 -18.823 -21.344 1.00 21.24 H new ATOM 0 HA LEU A 97 8.059 -18.213 -21.874 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.633 -19.768 -20.039 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.472 -18.842 -19.109 1.00 23.04 H new ATOM 0 HG LEU A 97 7.867 -20.803 -21.338 1.00 32.22 H new ATOM 0 HD11 LEU A 97 6.724 -22.050 -19.546 1.00 33.50 H new ATOM 0 HD12 LEU A 97 8.456 -21.832 -19.198 1.00 33.50 H new ATOM 0 HD13 LEU A 97 7.246 -20.825 -18.366 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.491 -20.360 -20.854 1.00 13.34 H new ATOM 0 HD22 LEU A 97 5.966 -19.071 -19.723 1.00 13.34 H new ATOM 0 HD23 LEU A 97 6.323 -18.908 -21.459 1.00 13.34 H new ATOM 1483 N ALA A 98 9.527 -16.332 -19.587 1.00 51.02 N ATOM 1484 CA ALA A 98 9.411 -15.078 -18.852 1.00 72.21 C ATOM 1485 C ALA A 98 9.323 -13.890 -19.804 1.00 74.34 C ATOM 1486 O ALA A 98 8.441 -13.042 -19.674 1.00 70.15 O ATOM 1487 CB ALA A 98 10.590 -14.911 -17.904 1.00 43.44 C ATOM 0 H ALA A 98 10.408 -16.825 -19.443 1.00 51.02 H new ATOM 0 HA ALA A 98 8.491 -15.111 -18.268 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.491 -13.971 -17.362 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.607 -15.739 -17.195 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.518 -14.904 -18.475 1.00 43.44 H new ATOM 1493 N ALA A 99 10.244 -13.834 -20.760 1.00 41.25 N ATOM 1494 CA ALA A 99 10.269 -12.751 -21.735 1.00 41.24 C ATOM 1495 C ALA A 99 8.892 -12.537 -22.354 1.00 64.45 C ATOM 1496 O ALA A 99 8.469 -11.403 -22.577 1.00 63.22 O ATOM 1497 CB ALA A 99 11.299 -13.038 -22.817 1.00 14.33 C ATOM 0 H ALA A 99 10.983 -14.527 -20.880 1.00 41.25 H new ATOM 0 HA ALA A 99 10.550 -11.835 -21.216 1.00 41.24 H new ATOM 0 HB1 ALA A 99 11.307 -12.221 -23.538 1.00 14.33 H new ATOM 0 HB2 ALA A 99 12.286 -13.131 -22.364 1.00 14.33 H new ATOM 0 HB3 ALA A 99 11.043 -13.968 -23.325 1.00 14.33 H new ATOM 1503 N LYS A 100 8.197 -13.636 -22.632 1.00 1.23 N ATOM 1504 CA LYS A 100 6.867 -13.570 -23.227 1.00 72.44 C ATOM 1505 C LYS A 100 5.917 -12.767 -22.344 1.00 13.34 C ATOM 1506 O LYS A 100 5.134 -11.954 -22.837 1.00 61.21 O ATOM 1507 CB LYS A 100 6.312 -14.980 -23.442 1.00 31.43 C ATOM 1508 CG LYS A 100 4.876 -14.999 -23.938 1.00 4.53 C ATOM 1509 CD LYS A 100 4.758 -14.396 -25.327 1.00 22.41 C ATOM 1510 CE LYS A 100 3.718 -13.287 -25.365 1.00 35.11 C ATOM 1511 NZ LYS A 100 2.890 -13.346 -26.602 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.533 -14.583 -22.455 1.00 1.23 H new ATOM 0 HA LYS A 100 6.951 -13.069 -24.191 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.943 -15.504 -24.160 1.00 31.43 H new ATOM 0 HB3 LYS A 100 6.371 -15.532 -22.504 1.00 31.43 H new ATOM 0 HG2 LYS A 100 4.509 -16.025 -23.954 1.00 4.53 H new ATOM 0 HG3 LYS A 100 4.243 -14.445 -23.245 1.00 4.53 H new ATOM 0 HD2 LYS A 100 5.725 -14.000 -25.637 1.00 22.41 H new ATOM 0 HD3 LYS A 100 4.488 -15.174 -26.041 1.00 22.41 H new ATOM 0 HE2 LYS A 100 3.071 -13.365 -24.491 1.00 35.11 H new ATOM 0 HE3 LYS A 100 4.216 -12.319 -25.307 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 2.193 -12.574 -26.590 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 3.504 -13.246 -27.436 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 2.394 -14.259 -26.645 1.00 40.13 H new ATOM 1525 N LEU A 101 5.990 -13.000 -21.038 1.00 12.30 N ATOM 1526 CA LEU A 101 5.136 -12.297 -20.087 1.00 3.23 C ATOM 1527 C LEU A 101 5.271 -10.787 -20.247 1.00 62.45 C ATOM 1528 O LEU A 101 4.277 -10.079 -20.416 1.00 14.21 O ATOM 1529 CB LEU A 101 5.492 -12.703 -18.655 1.00 62.20 C ATOM 1530 CG LEU A 101 4.423 -13.487 -17.894 1.00 45.40 C ATOM 1531 CD1 LEU A 101 4.863 -13.737 -16.460 1.00 50.44 C ATOM 1532 CD2 LEU A 101 3.095 -12.744 -17.924 1.00 34.24 C ATOM 0 H LEU A 101 6.631 -13.670 -20.614 1.00 12.30 H new ATOM 0 HA LEU A 101 4.102 -12.575 -20.291 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.402 -13.303 -18.684 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.723 -11.800 -18.090 1.00 62.20 H new ATOM 0 HG LEU A 101 4.289 -14.451 -18.384 1.00 45.40 H new ATOM 0 HD11 LEU A 101 4.089 -14.296 -15.934 1.00 50.44 H new ATOM 0 HD12 LEU A 101 5.790 -14.311 -16.459 1.00 50.44 H new ATOM 0 HD13 LEU A 101 5.026 -12.783 -15.958 1.00 50.44 H new ATOM 0 HD21 LEU A 101 2.345 -13.316 -17.378 1.00 34.24 H new ATOM 0 HD22 LEU A 101 3.215 -11.766 -17.459 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.772 -12.617 -18.957 1.00 34.24 H new ATOM 1544 N ALA A 102 6.506 -10.298 -20.196 1.00 31.42 N ATOM 1545 CA ALA A 102 6.770 -8.873 -20.340 1.00 1.32 C ATOM 1546 C ALA A 102 6.068 -8.305 -21.568 1.00 62.44 C ATOM 1547 O ALA A 102 5.523 -7.202 -21.528 1.00 20.35 O ATOM 1548 CB ALA A 102 8.268 -8.619 -20.422 1.00 64.24 C ATOM 0 H ALA A 102 7.339 -10.869 -20.056 1.00 31.42 H new ATOM 0 HA ALA A 102 6.374 -8.366 -19.460 1.00 1.32 H new ATOM 0 HB1 ALA A 102 8.450 -7.550 -20.529 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.748 -8.979 -19.512 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.680 -9.146 -21.283 1.00 64.24 H new ATOM 1554 N GLU A 103 6.084 -9.066 -22.658 1.00 45.13 N ATOM 1555 CA GLU A 103 5.449 -8.636 -23.898 1.00 0.13 C ATOM 1556 C GLU A 103 3.964 -8.357 -23.681 1.00 54.13 C ATOM 1557 O GLU A 103 3.395 -7.456 -24.297 1.00 43.44 O ATOM 1558 CB GLU A 103 5.626 -9.701 -24.983 1.00 65.34 C ATOM 1559 CG GLU A 103 6.280 -9.176 -26.250 1.00 71.40 C ATOM 1560 CD GLU A 103 7.787 -9.340 -26.240 1.00 43.23 C ATOM 1561 OE1 GLU A 103 8.257 -10.493 -26.153 1.00 35.33 O ATOM 1562 OE2 GLU A 103 8.496 -8.316 -26.319 1.00 44.42 O1- ATOM 0 H GLU A 103 6.529 -9.982 -22.707 1.00 45.13 H new ATOM 0 HA GLU A 103 5.930 -7.713 -24.222 1.00 0.13 H new ATOM 0 HB2 GLU A 103 6.229 -10.517 -24.584 1.00 65.34 H new ATOM 0 HB3 GLU A 103 4.651 -10.118 -25.234 1.00 65.34 H new ATOM 0 HG2 GLU A 103 5.867 -9.701 -27.112 1.00 71.40 H new ATOM 0 HG3 GLU A 103 6.034 -8.121 -26.371 1.00 71.40 H new ATOM 1569 N VAL A 104 3.345 -9.137 -22.802 1.00 33.41 N ATOM 1570 CA VAL A 104 1.927 -8.975 -22.502 1.00 23.33 C ATOM 1571 C VAL A 104 1.695 -7.798 -21.560 1.00 20.50 C ATOM 1572 O VAL A 104 0.744 -7.034 -21.728 1.00 4.15 O ATOM 1573 CB VAL A 104 1.338 -10.248 -21.867 1.00 33.51 C ATOM 1574 CG1 VAL A 104 -0.171 -10.290 -22.057 1.00 74.10 C ATOM 1575 CG2 VAL A 104 1.992 -11.489 -22.458 1.00 43.11 C ATOM 0 H VAL A 104 3.803 -9.888 -22.285 1.00 33.41 H new ATOM 0 HA VAL A 104 1.424 -8.784 -23.450 1.00 23.33 H new ATOM 0 HB VAL A 104 1.546 -10.229 -20.797 1.00 33.51 H new ATOM 0 HG11 VAL A 104 -0.570 -11.197 -21.602 1.00 74.10 H new ATOM 0 HG12 VAL A 104 -0.622 -9.418 -21.584 1.00 74.10 H new ATOM 0 HG13 VAL A 104 -0.404 -10.286 -23.122 1.00 74.10 H new ATOM 0 HG21 VAL A 104 1.564 -12.380 -21.998 1.00 43.11 H new ATOM 0 HG22 VAL A 104 1.816 -11.516 -23.533 1.00 43.11 H new ATOM 0 HG23 VAL A 104 3.065 -11.461 -22.266 1.00 43.11 H new ATOM 1585 N ILE A 105 2.572 -7.657 -20.572 1.00 64.50 N ATOM 1586 CA ILE A 105 2.463 -6.572 -19.605 1.00 64.45 C ATOM 1587 C ILE A 105 2.359 -5.221 -20.304 1.00 25.40 C ATOM 1588 O ILE A 105 1.719 -4.297 -19.800 1.00 74.01 O ATOM 1589 CB ILE A 105 3.669 -6.550 -18.646 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.744 -7.858 -17.856 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.575 -5.360 -17.704 1.00 10.31 C ATOM 1592 CD1 ILE A 105 5.096 -8.106 -17.225 1.00 20.20 C ATOM 0 H ILE A 105 3.365 -8.280 -20.420 1.00 64.50 H new ATOM 0 HA ILE A 105 1.555 -6.751 -19.030 1.00 64.45 H new ATOM 0 HB ILE A 105 4.581 -6.451 -19.235 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.984 -7.845 -17.075 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.504 -8.688 -18.520 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.434 -5.358 -17.033 1.00 10.31 H new ATOM 0 HG22 ILE A 105 3.566 -4.437 -18.284 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.658 -5.430 -17.119 1.00 10.31 H new ATOM 0 HD11 ILE A 105 5.076 -9.050 -16.681 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.858 -8.151 -18.003 1.00 20.20 H new ATOM 0 HD13 ILE A 105 5.330 -7.295 -16.535 1.00 20.20 H new