USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 540 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 27 LYS NZ :NH3+ 147:sc= 0.602 (180deg=-0.405) USER MOD Set 1.2: A 42 GLN : amide:sc= 0.598 K(o=1.2,f=-4.1) USER MOD Single : A 5 LYS NZ :NH3+ -118:sc= -0.0244 (180deg=-2!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= -0.247 (180deg=-0.277) USER MOD Single : A 24 GLN : amide:sc=-0.00545 X(o=-0.0055,f=0.063) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0122 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 38 LYS NZ :NH3+ -130:sc= 0.163 (180deg=-0.407) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 45 LYS NZ :NH3+ -136:sc= -1.03 (180deg=-2.86!) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= 0.336 (180deg=0.179) USER MOD Single : A 50 MET CE :methyl -154:sc= -0.0758 (180deg=-0.479) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= -0.0139 (180deg=-0.168) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0739) USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 0.559 (180deg=0.213) USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= 0.981 (180deg=-2.23!) USER MOD Single : A 60 ASN : amide:sc= -0.0514 K(o=-0.051,f=-2.1!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= 1.44 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 1.327 11.082 -4.682 1.00 60.11 N ATOM 21 CA VAL A 2 2.364 10.175 -5.201 1.00 41.31 C ATOM 22 C VAL A 2 1.708 8.816 -5.456 1.00 13.43 C ATOM 23 O VAL A 2 0.883 8.372 -4.652 1.00 1.41 O ATOM 24 CB VAL A 2 3.578 10.013 -4.201 1.00 11.45 C ATOM 25 CG1 VAL A 2 4.692 9.122 -4.807 1.00 13.21 C ATOM 26 CG2 VAL A 2 4.121 11.398 -3.777 1.00 3.45 C ATOM 0 HA VAL A 2 2.774 10.595 -6.119 1.00 41.31 H new ATOM 0 HB VAL A 2 3.217 9.507 -3.305 1.00 11.45 H new ATOM 0 HG11 VAL A 2 5.512 9.030 -4.095 1.00 13.21 H new ATOM 0 HG12 VAL A 2 4.289 8.133 -5.025 1.00 13.21 H new ATOM 0 HG13 VAL A 2 5.060 9.575 -5.728 1.00 13.21 H new ATOM 0 HG21 VAL A 2 4.956 11.266 -3.089 1.00 3.45 H new ATOM 0 HG22 VAL A 2 4.460 11.942 -4.659 1.00 3.45 H new ATOM 0 HG23 VAL A 2 3.330 11.963 -3.284 1.00 3.45 H new ATOM 36 N ASP A 3 2.074 8.166 -6.564 1.00 41.42 N ATOM 37 CA ASP A 3 1.557 6.834 -6.905 1.00 22.00 C ATOM 38 C ASP A 3 2.522 5.789 -6.344 1.00 15.43 C ATOM 39 O ASP A 3 3.686 5.726 -6.761 1.00 64.31 O ATOM 40 CB ASP A 3 1.392 6.650 -8.437 1.00 52.02 C ATOM 41 CG ASP A 3 0.842 5.248 -8.825 1.00 52.31 C ATOM 42 OD1 ASP A 3 -0.336 4.953 -8.527 1.00 22.53 O ATOM 43 OD2 ASP A 3 1.578 4.442 -9.448 1.00 25.12 O ATOM 0 H ASP A 3 2.732 8.543 -7.246 1.00 41.42 H new ATOM 0 HA ASP A 3 0.566 6.716 -6.466 1.00 22.00 H new ATOM 0 HB2 ASP A 3 0.718 7.417 -8.819 1.00 52.02 H new ATOM 0 HB3 ASP A 3 2.356 6.803 -8.922 1.00 52.02 H new ATOM 48 N LEU A 4 2.057 5.020 -5.357 1.00 50.31 N ATOM 49 CA LEU A 4 2.812 3.892 -4.807 1.00 41.05 C ATOM 50 C LEU A 4 2.193 2.614 -5.371 1.00 2.31 C ATOM 51 O LEU A 4 1.075 2.249 -5.004 1.00 21.21 O ATOM 52 CB LEU A 4 2.759 3.903 -3.251 1.00 61.45 C ATOM 53 CG LEU A 4 3.257 5.210 -2.551 1.00 12.40 C ATOM 54 CD1 LEU A 4 3.169 5.075 -1.016 1.00 71.44 C ATOM 55 CD2 LEU A 4 4.689 5.588 -3.002 1.00 73.50 C ATOM 0 H LEU A 4 1.148 5.161 -4.917 1.00 50.31 H new ATOM 0 HA LEU A 4 3.863 3.957 -5.087 1.00 41.05 H new ATOM 0 HB2 LEU A 4 1.730 3.720 -2.942 1.00 61.45 H new ATOM 0 HB3 LEU A 4 3.355 3.069 -2.882 1.00 61.45 H new ATOM 0 HG LEU A 4 2.599 6.023 -2.857 1.00 12.40 H new ATOM 0 HD11 LEU A 4 3.520 5.995 -0.549 1.00 71.44 H new ATOM 0 HD12 LEU A 4 2.134 4.893 -0.726 1.00 71.44 H new ATOM 0 HD13 LEU A 4 3.790 4.242 -0.688 1.00 71.44 H new ATOM 0 HD21 LEU A 4 5.001 6.501 -2.495 1.00 73.50 H new ATOM 0 HD22 LEU A 4 5.375 4.780 -2.749 1.00 73.50 H new ATOM 0 HD23 LEU A 4 4.700 5.750 -4.080 1.00 73.50 H new ATOM 67 N LYS A 5 2.910 1.958 -6.284 1.00 25.14 N ATOM 68 CA LYS A 5 2.469 0.721 -6.927 1.00 71.32 C ATOM 69 C LYS A 5 3.213 -0.447 -6.276 1.00 52.51 C ATOM 70 O LYS A 5 4.428 -0.592 -6.454 1.00 10.44 O ATOM 71 CB LYS A 5 2.740 0.827 -8.464 1.00 20.12 C ATOM 72 CG LYS A 5 2.188 -0.319 -9.365 1.00 62.05 C ATOM 73 CD LYS A 5 3.038 -1.636 -9.324 1.00 31.51 C ATOM 74 CE LYS A 5 3.308 -2.226 -10.719 1.00 72.53 C ATOM 75 NZ LYS A 5 2.067 -2.553 -11.457 1.00 62.53 N ATOM 0 H LYS A 5 3.826 2.276 -6.602 1.00 25.14 H new ATOM 0 HA LYS A 5 1.400 0.554 -6.796 1.00 71.32 H new ATOM 0 HB2 LYS A 5 2.318 1.768 -8.817 1.00 20.12 H new ATOM 0 HB3 LYS A 5 3.818 0.885 -8.614 1.00 20.12 H new ATOM 0 HG2 LYS A 5 1.168 -0.549 -9.057 1.00 62.05 H new ATOM 0 HG3 LYS A 5 2.138 0.036 -10.394 1.00 62.05 H new ATOM 0 HD2 LYS A 5 3.989 -1.432 -8.833 1.00 31.51 H new ATOM 0 HD3 LYS A 5 2.518 -2.378 -8.717 1.00 31.51 H new ATOM 0 HE2 LYS A 5 3.894 -1.515 -11.301 1.00 72.53 H new ATOM 0 HE3 LYS A 5 3.912 -3.128 -10.616 1.00 72.53 H new ATOM 0 HZ1 LYS A 5 2.035 -3.575 -11.647 1.00 62.53 H new ATOM 0 HZ2 LYS A 5 1.242 -2.282 -10.886 1.00 62.53 H new ATOM 0 HZ3 LYS A 5 2.051 -2.032 -12.357 1.00 62.53 H new ATOM 89 N ILE A 6 2.480 -1.262 -5.512 1.00 24.12 N ATOM 90 CA ILE A 6 3.023 -2.442 -4.825 1.00 73.21 C ATOM 91 C ILE A 6 2.439 -3.696 -5.493 1.00 11.42 C ATOM 92 O ILE A 6 1.259 -3.716 -5.814 1.00 73.20 O ATOM 93 CB ILE A 6 2.674 -2.485 -3.277 1.00 31.22 C ATOM 94 CG1 ILE A 6 3.070 -1.159 -2.523 1.00 4.53 C ATOM 95 CG2 ILE A 6 3.361 -3.712 -2.615 1.00 41.05 C ATOM 96 CD1 ILE A 6 2.093 0.008 -2.654 1.00 42.52 C ATOM 0 H ILE A 6 1.483 -1.121 -5.350 1.00 24.12 H new ATOM 0 HA ILE A 6 4.109 -2.397 -4.907 1.00 73.21 H new ATOM 0 HB ILE A 6 1.591 -2.579 -3.193 1.00 31.22 H new ATOM 0 HG12 ILE A 6 3.189 -1.389 -1.464 1.00 4.53 H new ATOM 0 HG13 ILE A 6 4.044 -0.834 -2.890 1.00 4.53 H new ATOM 0 HG21 ILE A 6 3.118 -3.736 -1.553 1.00 41.05 H new ATOM 0 HG22 ILE A 6 3.007 -4.627 -3.089 1.00 41.05 H new ATOM 0 HG23 ILE A 6 4.441 -3.634 -2.738 1.00 41.05 H new ATOM 0 HD11 ILE A 6 2.471 0.863 -2.094 1.00 42.52 H new ATOM 0 HD12 ILE A 6 1.989 0.279 -3.705 1.00 42.52 H new ATOM 0 HD13 ILE A 6 1.121 -0.285 -2.257 1.00 42.52 H new ATOM 108 N ASP A 7 3.260 -4.734 -5.711 1.00 65.13 N ATOM 109 CA ASP A 7 2.760 -6.059 -6.118 1.00 22.12 C ATOM 110 C ASP A 7 1.943 -6.690 -4.971 1.00 20.25 C ATOM 111 O ASP A 7 2.250 -6.477 -3.799 1.00 65.34 O ATOM 112 CB ASP A 7 3.948 -6.993 -6.489 1.00 31.33 C ATOM 113 CG ASP A 7 3.542 -8.485 -6.589 1.00 24.11 C ATOM 114 OD1 ASP A 7 2.902 -8.875 -7.588 1.00 74.24 O ATOM 115 OD2 ASP A 7 3.837 -9.267 -5.647 1.00 11.32 O ATOM 0 H ASP A 7 4.274 -4.683 -5.613 1.00 65.13 H new ATOM 0 HA ASP A 7 2.119 -5.936 -6.991 1.00 22.12 H new ATOM 0 HB2 ASP A 7 4.370 -6.673 -7.442 1.00 31.33 H new ATOM 0 HB3 ASP A 7 4.733 -6.886 -5.741 1.00 31.33 H new ATOM 120 N VAL A 8 0.895 -7.462 -5.320 1.00 54.02 N ATOM 121 CA VAL A 8 0.245 -8.412 -4.407 1.00 55.34 C ATOM 122 C VAL A 8 -0.065 -9.711 -5.171 1.00 63.14 C ATOM 123 O VAL A 8 -0.731 -9.691 -6.210 1.00 10.13 O ATOM 124 CB VAL A 8 -1.058 -7.856 -3.698 1.00 54.13 C ATOM 125 CG1 VAL A 8 -0.693 -6.945 -2.505 1.00 60.21 C ATOM 126 CG2 VAL A 8 -1.973 -7.126 -4.700 1.00 12.03 C ATOM 0 H VAL A 8 0.476 -7.441 -6.250 1.00 54.02 H new ATOM 0 HA VAL A 8 0.949 -8.598 -3.596 1.00 55.34 H new ATOM 0 HB VAL A 8 -1.614 -8.709 -3.308 1.00 54.13 H new ATOM 0 HG11 VAL A 8 -1.605 -6.577 -2.036 1.00 60.21 H new ATOM 0 HG12 VAL A 8 -0.115 -7.513 -1.777 1.00 60.21 H new ATOM 0 HG13 VAL A 8 -0.101 -6.101 -2.859 1.00 60.21 H new ATOM 0 HG21 VAL A 8 -2.858 -6.757 -4.182 1.00 12.03 H new ATOM 0 HG22 VAL A 8 -1.434 -6.287 -5.141 1.00 12.03 H new ATOM 0 HG23 VAL A 8 -2.275 -7.817 -5.487 1.00 12.03 H new ATOM 136 N SER A 9 0.441 -10.833 -4.633 1.00 71.20 N ATOM 137 CA SER A 9 0.294 -12.169 -5.228 1.00 63.32 C ATOM 138 C SER A 9 -1.129 -12.706 -4.997 1.00 50.45 C ATOM 139 O SER A 9 -1.751 -13.275 -5.903 1.00 65.02 O ATOM 140 CB SER A 9 1.350 -13.133 -4.616 1.00 42.32 C ATOM 141 OG SER A 9 1.355 -14.394 -5.270 1.00 24.15 O ATOM 0 H SER A 9 0.970 -10.836 -3.761 1.00 71.20 H new ATOM 0 HA SER A 9 0.460 -12.101 -6.303 1.00 63.32 H new ATOM 0 HB2 SER A 9 2.340 -12.682 -4.689 1.00 42.32 H new ATOM 0 HB3 SER A 9 1.142 -13.274 -3.555 1.00 42.32 H new ATOM 0 HG SER A 9 2.031 -14.972 -4.860 1.00 24.15 H new ATOM 147 N ASP A 10 -1.641 -12.490 -3.778 1.00 45.14 N ATOM 148 CA ASP A 10 -2.924 -13.055 -3.329 1.00 72.33 C ATOM 149 C ASP A 10 -4.016 -11.961 -3.261 1.00 4.14 C ATOM 150 O ASP A 10 -3.711 -10.764 -3.161 1.00 10.13 O ATOM 151 CB ASP A 10 -2.706 -13.754 -1.960 1.00 2.31 C ATOM 152 CG ASP A 10 -3.971 -14.404 -1.368 1.00 12.43 C ATOM 153 OD1 ASP A 10 -4.266 -15.565 -1.708 1.00 33.31 O ATOM 154 OD2 ASP A 10 -4.674 -13.753 -0.562 1.00 4.34 O ATOM 0 H ASP A 10 -1.177 -11.917 -3.073 1.00 45.14 H new ATOM 0 HA ASP A 10 -3.278 -13.795 -4.046 1.00 72.33 H new ATOM 0 HB2 ASP A 10 -1.939 -14.520 -2.075 1.00 2.31 H new ATOM 0 HB3 ASP A 10 -2.322 -13.022 -1.249 1.00 2.31 H new ATOM 159 N ASP A 11 -5.292 -12.406 -3.312 1.00 60.42 N ATOM 160 CA ASP A 11 -6.487 -11.533 -3.351 1.00 23.34 C ATOM 161 C ASP A 11 -6.724 -10.861 -1.983 1.00 63.11 C ATOM 162 O ASP A 11 -6.817 -9.633 -1.886 1.00 42.43 O ATOM 163 CB ASP A 11 -7.746 -12.362 -3.744 1.00 50.33 C ATOM 164 CG ASP A 11 -7.621 -13.055 -5.117 1.00 1.34 C ATOM 165 OD1 ASP A 11 -7.002 -14.141 -5.187 1.00 12.32 O ATOM 166 OD2 ASP A 11 -8.144 -12.521 -6.121 1.00 62.21 O ATOM 0 H ASP A 11 -5.524 -13.399 -3.327 1.00 60.42 H new ATOM 0 HA ASP A 11 -6.312 -10.758 -4.097 1.00 23.34 H new ATOM 0 HB2 ASP A 11 -7.927 -13.117 -2.979 1.00 50.33 H new ATOM 0 HB3 ASP A 11 -8.615 -11.705 -3.755 1.00 50.33 H new ATOM 171 N GLU A 12 -6.840 -11.694 -0.933 1.00 11.32 N ATOM 172 CA GLU A 12 -7.056 -11.215 0.445 1.00 64.45 C ATOM 173 C GLU A 12 -5.821 -10.434 0.957 1.00 71.43 C ATOM 174 O GLU A 12 -5.947 -9.543 1.802 1.00 1.30 O ATOM 175 CB GLU A 12 -7.395 -12.394 1.389 1.00 24.15 C ATOM 176 CG GLU A 12 -7.839 -11.959 2.797 1.00 61.31 C ATOM 177 CD GLU A 12 -8.109 -13.134 3.738 1.00 41.41 C ATOM 178 OE1 GLU A 12 -9.236 -13.672 3.731 1.00 23.13 O ATOM 179 OE2 GLU A 12 -7.194 -13.527 4.486 1.00 31.40 O ATOM 0 H GLU A 12 -6.787 -12.709 -1.014 1.00 11.32 H new ATOM 0 HA GLU A 12 -7.906 -10.533 0.438 1.00 64.45 H new ATOM 0 HB2 GLU A 12 -8.187 -12.992 0.938 1.00 24.15 H new ATOM 0 HB3 GLU A 12 -6.520 -13.038 1.478 1.00 24.15 H new ATOM 0 HG2 GLU A 12 -7.068 -11.324 3.233 1.00 61.31 H new ATOM 0 HG3 GLU A 12 -8.742 -11.354 2.715 1.00 61.31 H new ATOM 186 N GLU A 13 -4.633 -10.802 0.441 1.00 30.30 N ATOM 187 CA GLU A 13 -3.362 -10.080 0.677 1.00 1.23 C ATOM 188 C GLU A 13 -3.454 -8.610 0.238 1.00 65.23 C ATOM 189 O GLU A 13 -2.927 -7.726 0.914 1.00 54.21 O ATOM 190 CB GLU A 13 -2.238 -10.791 -0.096 1.00 51.33 C ATOM 191 CG GLU A 13 -0.821 -10.236 0.104 1.00 53.14 C ATOM 192 CD GLU A 13 0.194 -10.914 -0.825 1.00 11.31 C ATOM 193 OE1 GLU A 13 0.482 -12.115 -0.643 1.00 3.12 O ATOM 194 OE2 GLU A 13 0.698 -10.258 -1.750 1.00 24.43 O ATOM 0 H GLU A 13 -4.524 -11.619 -0.160 1.00 30.30 H new ATOM 0 HA GLU A 13 -3.150 -10.088 1.746 1.00 1.23 H new ATOM 0 HB2 GLU A 13 -2.237 -11.843 0.191 1.00 51.33 H new ATOM 0 HB3 GLU A 13 -2.475 -10.750 -1.159 1.00 51.33 H new ATOM 0 HG2 GLU A 13 -0.822 -9.162 -0.081 1.00 53.14 H new ATOM 0 HG3 GLU A 13 -0.517 -10.380 1.141 1.00 53.14 H new ATOM 201 N ALA A 14 -4.149 -8.373 -0.888 1.00 43.21 N ATOM 202 CA ALA A 14 -4.423 -7.014 -1.388 1.00 41.51 C ATOM 203 C ALA A 14 -5.259 -6.230 -0.367 1.00 65.40 C ATOM 204 O ALA A 14 -4.933 -5.086 -0.036 1.00 21.02 O ATOM 205 CB ALA A 14 -5.140 -7.069 -2.747 1.00 54.20 C ATOM 0 H ALA A 14 -4.535 -9.113 -1.474 1.00 43.21 H new ATOM 0 HA ALA A 14 -3.472 -6.499 -1.527 1.00 41.51 H new ATOM 0 HB1 ALA A 14 -5.333 -6.055 -3.098 1.00 54.20 H new ATOM 0 HB2 ALA A 14 -4.511 -7.590 -3.469 1.00 54.20 H new ATOM 0 HB3 ALA A 14 -6.085 -7.601 -2.639 1.00 54.20 H new ATOM 211 N GLU A 15 -6.290 -6.906 0.176 1.00 21.23 N ATOM 212 CA GLU A 15 -7.197 -6.338 1.186 1.00 45.22 C ATOM 213 C GLU A 15 -6.444 -5.988 2.477 1.00 21.14 C ATOM 214 O GLU A 15 -6.738 -4.958 3.121 1.00 11.54 O ATOM 215 CB GLU A 15 -8.356 -7.327 1.470 1.00 13.55 C ATOM 216 CG GLU A 15 -9.312 -7.514 0.283 1.00 55.32 C ATOM 217 CD GLU A 15 -9.954 -6.190 -0.187 1.00 32.20 C ATOM 218 OE1 GLU A 15 -10.833 -5.654 0.529 1.00 23.40 O ATOM 219 OE2 GLU A 15 -9.587 -5.688 -1.277 1.00 41.20 O ATOM 0 H GLU A 15 -6.516 -7.868 -0.077 1.00 21.23 H new ATOM 0 HA GLU A 15 -7.615 -5.411 0.793 1.00 45.22 H new ATOM 0 HB2 GLU A 15 -7.937 -8.295 1.744 1.00 13.55 H new ATOM 0 HB3 GLU A 15 -8.924 -6.971 2.330 1.00 13.55 H new ATOM 0 HG2 GLU A 15 -8.768 -7.963 -0.548 1.00 55.32 H new ATOM 0 HG3 GLU A 15 -10.099 -8.214 0.564 1.00 55.32 H new ATOM 226 N LYS A 16 -5.452 -6.839 2.820 1.00 54.45 N ATOM 227 CA LYS A 16 -4.549 -6.604 3.953 1.00 10.53 C ATOM 228 C LYS A 16 -3.876 -5.234 3.803 1.00 71.22 C ATOM 229 O LYS A 16 -4.029 -4.382 4.668 1.00 5.15 O ATOM 230 CB LYS A 16 -3.449 -7.698 4.051 1.00 44.45 C ATOM 231 CG LYS A 16 -3.925 -9.106 4.447 1.00 23.23 C ATOM 232 CD LYS A 16 -4.456 -9.171 5.898 1.00 64.24 C ATOM 233 CE LYS A 16 -4.787 -10.605 6.335 1.00 15.44 C ATOM 234 NZ LYS A 16 -5.767 -11.248 5.426 1.00 62.23 N ATOM 0 H LYS A 16 -5.260 -7.705 2.316 1.00 54.45 H new ATOM 0 HA LYS A 16 -5.148 -6.637 4.863 1.00 10.53 H new ATOM 0 HB2 LYS A 16 -2.946 -7.765 3.086 1.00 44.45 H new ATOM 0 HB3 LYS A 16 -2.704 -7.371 4.777 1.00 44.45 H new ATOM 0 HG2 LYS A 16 -4.711 -9.425 3.762 1.00 23.23 H new ATOM 0 HG3 LYS A 16 -3.100 -9.809 4.335 1.00 23.23 H new ATOM 0 HD2 LYS A 16 -3.711 -8.751 6.574 1.00 64.24 H new ATOM 0 HD3 LYS A 16 -5.349 -8.552 5.983 1.00 64.24 H new ATOM 0 HE2 LYS A 16 -3.872 -11.197 6.360 1.00 15.44 H new ATOM 0 HE3 LYS A 16 -5.186 -10.592 7.349 1.00 15.44 H new ATOM 0 HZ1 LYS A 16 -6.028 -12.182 5.802 1.00 62.23 H new ATOM 0 HZ2 LYS A 16 -6.617 -10.653 5.355 1.00 62.23 H new ATOM 0 HZ3 LYS A 16 -5.344 -11.360 4.483 1.00 62.23 H new ATOM 248 N ILE A 17 -3.214 -5.030 2.640 1.00 52.42 N ATOM 249 CA ILE A 17 -2.387 -3.835 2.360 1.00 34.50 C ATOM 250 C ILE A 17 -3.219 -2.535 2.441 1.00 24.23 C ATOM 251 O ILE A 17 -2.751 -1.530 2.992 1.00 70.55 O ATOM 252 CB ILE A 17 -1.692 -3.934 0.949 1.00 43.51 C ATOM 253 CG1 ILE A 17 -0.902 -5.276 0.802 1.00 24.13 C ATOM 254 CG2 ILE A 17 -0.773 -2.716 0.674 1.00 2.15 C ATOM 255 CD1 ILE A 17 0.107 -5.586 1.900 1.00 72.40 C ATOM 0 H ILE A 17 -3.239 -5.694 1.866 1.00 52.42 H new ATOM 0 HA ILE A 17 -1.615 -3.801 3.129 1.00 34.50 H new ATOM 0 HB ILE A 17 -2.482 -3.923 0.198 1.00 43.51 H new ATOM 0 HG12 ILE A 17 -1.621 -6.094 0.757 1.00 24.13 H new ATOM 0 HG13 ILE A 17 -0.376 -5.261 -0.153 1.00 24.13 H new ATOM 0 HG21 ILE A 17 -0.313 -2.822 -0.308 1.00 2.15 H new ATOM 0 HG22 ILE A 17 -1.364 -1.801 0.701 1.00 2.15 H new ATOM 0 HG23 ILE A 17 0.005 -2.668 1.436 1.00 2.15 H new ATOM 0 HD11 ILE A 17 0.591 -6.540 1.690 1.00 72.40 H new ATOM 0 HD12 ILE A 17 0.859 -4.797 1.937 1.00 72.40 H new ATOM 0 HD13 ILE A 17 -0.406 -5.643 2.860 1.00 72.40 H new ATOM 267 N ILE A 18 -4.466 -2.598 1.925 1.00 14.51 N ATOM 268 CA ILE A 18 -5.421 -1.466 1.967 1.00 73.13 C ATOM 269 C ILE A 18 -5.678 -1.068 3.442 1.00 51.12 C ATOM 270 O ILE A 18 -5.595 0.109 3.807 1.00 43.41 O ATOM 271 CB ILE A 18 -6.788 -1.822 1.248 1.00 12.40 C ATOM 272 CG1 ILE A 18 -6.533 -2.301 -0.222 1.00 35.22 C ATOM 273 CG2 ILE A 18 -7.768 -0.616 1.273 1.00 20.34 C ATOM 274 CD1 ILE A 18 -7.779 -2.735 -0.979 1.00 24.03 C ATOM 0 H ILE A 18 -4.839 -3.431 1.469 1.00 14.51 H new ATOM 0 HA ILE A 18 -4.981 -0.627 1.428 1.00 73.13 H new ATOM 0 HB ILE A 18 -7.252 -2.640 1.799 1.00 12.40 H new ATOM 0 HG12 ILE A 18 -6.053 -1.493 -0.774 1.00 35.22 H new ATOM 0 HG13 ILE A 18 -5.830 -3.134 -0.201 1.00 35.22 H new ATOM 0 HG21 ILE A 18 -8.696 -0.891 0.772 1.00 20.34 H new ATOM 0 HG22 ILE A 18 -7.981 -0.341 2.306 1.00 20.34 H new ATOM 0 HG23 ILE A 18 -7.315 0.231 0.758 1.00 20.34 H new ATOM 0 HD11 ILE A 18 -7.502 -3.049 -1.985 1.00 24.03 H new ATOM 0 HD12 ILE A 18 -8.251 -3.567 -0.456 1.00 24.03 H new ATOM 0 HD13 ILE A 18 -8.478 -1.901 -1.039 1.00 24.03 H new ATOM 286 N ARG A 19 -5.913 -2.091 4.279 1.00 63.04 N ATOM 287 CA ARG A 19 -6.159 -1.925 5.726 1.00 52.21 C ATOM 288 C ARG A 19 -4.870 -1.544 6.500 1.00 70.32 C ATOM 289 O ARG A 19 -4.962 -0.893 7.541 1.00 51.21 O ATOM 290 CB ARG A 19 -6.790 -3.229 6.291 1.00 13.03 C ATOM 291 CG ARG A 19 -8.206 -3.528 5.733 1.00 71.11 C ATOM 292 CD ARG A 19 -8.677 -4.971 6.000 1.00 62.13 C ATOM 293 NE ARG A 19 -10.053 -5.231 5.513 1.00 52.30 N ATOM 294 CZ ARG A 19 -10.459 -5.224 4.227 1.00 62.15 C ATOM 295 NH1 ARG A 19 -9.625 -4.971 3.230 1.00 32.23 N ATOM 296 NH2 ARG A 19 -11.724 -5.486 3.946 1.00 15.10 N ATOM 0 H ARG A 19 -5.938 -3.063 3.972 1.00 63.04 H new ATOM 0 HA ARG A 19 -6.854 -1.097 5.864 1.00 52.21 H new ATOM 0 HB2 ARG A 19 -6.134 -4.069 6.062 1.00 13.03 H new ATOM 0 HB3 ARG A 19 -6.845 -3.155 7.377 1.00 13.03 H new ATOM 0 HG2 ARG A 19 -8.918 -2.833 6.178 1.00 71.11 H new ATOM 0 HG3 ARG A 19 -8.211 -3.345 4.658 1.00 71.11 H new ATOM 0 HD2 ARG A 19 -7.990 -5.667 5.518 1.00 62.13 H new ATOM 0 HD3 ARG A 19 -8.633 -5.169 7.071 1.00 62.13 H new ATOM 0 HE ARG A 19 -10.761 -5.435 6.219 1.00 52.30 H new ATOM 0 HH11 ARG A 19 -8.643 -4.774 3.424 1.00 32.23 H new ATOM 0 HH12 ARG A 19 -9.964 -4.973 2.268 1.00 32.23 H new ATOM 0 HH21 ARG A 19 -12.382 -5.691 4.698 1.00 15.10 H new ATOM 0 HH22 ARG A 19 -12.042 -5.483 2.977 1.00 15.10 H new ATOM 310 N GLU A 20 -3.678 -1.936 5.982 1.00 11.32 N ATOM 311 CA GLU A 20 -2.370 -1.587 6.608 1.00 52.20 C ATOM 312 C GLU A 20 -2.096 -0.093 6.481 1.00 64.11 C ATOM 313 O GLU A 20 -1.456 0.513 7.351 1.00 24.43 O ATOM 314 CB GLU A 20 -1.185 -2.361 5.961 1.00 22.02 C ATOM 315 CG GLU A 20 -1.266 -3.889 6.047 1.00 42.21 C ATOM 316 CD GLU A 20 -1.337 -4.443 7.483 1.00 21.21 C ATOM 317 OE1 GLU A 20 -2.448 -4.593 8.028 1.00 2.24 O ATOM 318 OE2 GLU A 20 -0.276 -4.745 8.066 1.00 53.55 O ATOM 0 H GLU A 20 -3.593 -2.494 5.132 1.00 11.32 H new ATOM 0 HA GLU A 20 -2.443 -1.871 7.658 1.00 52.20 H new ATOM 0 HB2 GLU A 20 -1.119 -2.077 4.911 1.00 22.02 H new ATOM 0 HB3 GLU A 20 -0.260 -2.037 6.437 1.00 22.02 H new ATOM 0 HG2 GLU A 20 -2.145 -4.226 5.497 1.00 42.21 H new ATOM 0 HG3 GLU A 20 -0.395 -4.315 5.549 1.00 42.21 H new ATOM 325 N ILE A 21 -2.546 0.473 5.364 1.00 44.34 N ATOM 326 CA ILE A 21 -2.459 1.910 5.115 1.00 62.23 C ATOM 327 C ILE A 21 -3.534 2.632 5.940 1.00 24.41 C ATOM 328 O ILE A 21 -3.257 3.608 6.616 1.00 43.44 O ATOM 329 CB ILE A 21 -2.633 2.252 3.587 1.00 32.24 C ATOM 330 CG1 ILE A 21 -1.635 1.431 2.703 1.00 3.15 C ATOM 331 CG2 ILE A 21 -2.472 3.767 3.337 1.00 44.30 C ATOM 332 CD1 ILE A 21 -0.167 1.557 3.082 1.00 53.03 C ATOM 0 H ILE A 21 -2.982 -0.052 4.605 1.00 44.34 H new ATOM 0 HA ILE A 21 -1.467 2.248 5.414 1.00 62.23 H new ATOM 0 HB ILE A 21 -3.645 1.967 3.298 1.00 32.24 H new ATOM 0 HG12 ILE A 21 -1.915 0.379 2.751 1.00 3.15 H new ATOM 0 HG13 ILE A 21 -1.753 1.745 1.666 1.00 3.15 H new ATOM 0 HG21 ILE A 21 -2.597 3.976 2.274 1.00 44.30 H new ATOM 0 HG22 ILE A 21 -3.226 4.312 3.905 1.00 44.30 H new ATOM 0 HG23 ILE A 21 -1.479 4.085 3.655 1.00 44.30 H new ATOM 0 HD11 ILE A 21 0.436 0.949 2.408 1.00 53.03 H new ATOM 0 HD12 ILE A 21 0.141 2.600 3.004 1.00 53.03 H new ATOM 0 HD13 ILE A 21 -0.025 1.212 4.106 1.00 53.03 H new ATOM 344 N ARG A 22 -4.753 2.078 5.930 1.00 35.14 N ATOM 345 CA ARG A 22 -5.950 2.759 6.460 1.00 21.04 C ATOM 346 C ARG A 22 -6.110 2.638 7.985 1.00 23.20 C ATOM 347 O ARG A 22 -6.944 3.344 8.568 1.00 24.11 O ATOM 348 CB ARG A 22 -7.213 2.335 5.674 1.00 53.50 C ATOM 349 CG ARG A 22 -7.242 2.938 4.250 1.00 55.52 C ATOM 350 CD ARG A 22 -8.509 2.608 3.450 1.00 41.42 C ATOM 351 NE ARG A 22 -8.609 3.477 2.268 1.00 34.21 N ATOM 352 CZ ARG A 22 -9.578 3.445 1.346 1.00 21.34 C ATOM 353 NH1 ARG A 22 -10.574 2.564 1.413 1.00 72.04 N ATOM 354 NH2 ARG A 22 -9.573 4.355 0.383 1.00 51.13 N ATOM 0 H ARG A 22 -4.941 1.148 5.556 1.00 35.14 H new ATOM 0 HA ARG A 22 -5.807 3.827 6.297 1.00 21.04 H new ATOM 0 HB2 ARG A 22 -7.250 1.248 5.608 1.00 53.50 H new ATOM 0 HB3 ARG A 22 -8.102 2.651 6.219 1.00 53.50 H new ATOM 0 HG2 ARG A 22 -7.146 4.021 4.325 1.00 55.52 H new ATOM 0 HG3 ARG A 22 -6.374 2.578 3.698 1.00 55.52 H new ATOM 0 HD2 ARG A 22 -8.490 1.563 3.141 1.00 41.42 H new ATOM 0 HD3 ARG A 22 -9.389 2.738 4.080 1.00 41.42 H new ATOM 0 HE ARG A 22 -7.871 4.169 2.139 1.00 34.21 H new ATOM 0 HH11 ARG A 22 -10.610 1.893 2.180 1.00 72.04 H new ATOM 0 HH12 ARG A 22 -11.301 2.560 0.697 1.00 72.04 H new ATOM 0 HH21 ARG A 22 -8.839 5.063 0.354 1.00 51.13 H new ATOM 0 HH22 ARG A 22 -10.303 4.348 -0.329 1.00 51.13 H new ATOM 368 N GLU A 23 -5.325 1.761 8.629 1.00 12.32 N ATOM 369 CA GLU A 23 -5.270 1.689 10.107 1.00 53.01 C ATOM 370 C GLU A 23 -4.612 2.974 10.676 1.00 73.43 C ATOM 371 O GLU A 23 -4.979 3.456 11.749 1.00 52.22 O ATOM 372 CB GLU A 23 -4.488 0.422 10.568 1.00 52.31 C ATOM 373 CG GLU A 23 -3.028 0.369 10.079 1.00 4.13 C ATOM 374 CD GLU A 23 -2.237 -0.835 10.604 1.00 1.31 C ATOM 375 OE1 GLU A 23 -2.365 -1.936 10.039 1.00 31.51 O ATOM 376 OE2 GLU A 23 -1.481 -0.685 11.585 1.00 1.51 O ATOM 0 H GLU A 23 -4.719 1.091 8.156 1.00 12.32 H new ATOM 0 HA GLU A 23 -6.287 1.616 10.491 1.00 53.01 H new ATOM 0 HB2 GLU A 23 -4.496 0.380 11.657 1.00 52.31 H new ATOM 0 HB3 GLU A 23 -5.012 -0.465 10.211 1.00 52.31 H new ATOM 0 HG2 GLU A 23 -3.021 0.348 8.989 1.00 4.13 H new ATOM 0 HG3 GLU A 23 -2.520 1.284 10.383 1.00 4.13 H new ATOM 383 N GLN A 24 -3.636 3.515 9.919 1.00 40.24 N ATOM 384 CA GLN A 24 -2.865 4.714 10.290 1.00 73.55 C ATOM 385 C GLN A 24 -3.450 5.964 9.593 1.00 1.25 C ATOM 386 O GLN A 24 -3.562 7.038 10.203 1.00 75.13 O ATOM 387 CB GLN A 24 -1.366 4.496 9.926 1.00 0.13 C ATOM 388 CG GLN A 24 -0.734 3.251 10.604 1.00 0.13 C ATOM 389 CD GLN A 24 0.703 2.934 10.166 1.00 61.12 C ATOM 390 OE1 GLN A 24 1.108 3.222 9.044 1.00 40.11 O ATOM 391 NE2 GLN A 24 1.471 2.301 11.041 1.00 1.35 N ATOM 0 H GLN A 24 -3.359 3.123 9.019 1.00 40.24 H new ATOM 0 HA GLN A 24 -2.934 4.881 11.365 1.00 73.55 H new ATOM 0 HB2 GLN A 24 -1.275 4.395 8.844 1.00 0.13 H new ATOM 0 HB3 GLN A 24 -0.799 5.382 10.213 1.00 0.13 H new ATOM 0 HG2 GLN A 24 -0.745 3.399 11.684 1.00 0.13 H new ATOM 0 HG3 GLN A 24 -1.361 2.384 10.395 1.00 0.13 H new ATOM 0 HE21 GLN A 24 1.109 2.074 11.967 1.00 1.35 H new ATOM 0 HE22 GLN A 24 2.424 2.041 10.788 1.00 1.35 H new ATOM 400 N TRP A 25 -3.830 5.814 8.307 1.00 12.12 N ATOM 401 CA TRP A 25 -4.409 6.901 7.485 1.00 63.31 C ATOM 402 C TRP A 25 -5.729 6.411 6.848 1.00 61.10 C ATOM 403 O TRP A 25 -5.708 5.863 5.741 1.00 32.12 O ATOM 404 CB TRP A 25 -3.439 7.356 6.351 1.00 44.24 C ATOM 405 CG TRP A 25 -2.021 7.605 6.784 1.00 25.24 C ATOM 406 CD1 TRP A 25 -1.505 8.737 7.337 1.00 35.32 C ATOM 407 CD2 TRP A 25 -0.935 6.676 6.699 1.00 50.34 C ATOM 408 NE1 TRP A 25 -0.170 8.567 7.595 1.00 14.12 N ATOM 409 CE2 TRP A 25 0.200 7.308 7.212 1.00 35.12 C ATOM 410 CE3 TRP A 25 -0.826 5.367 6.238 1.00 63.10 C ATOM 411 CZ2 TRP A 25 1.434 6.675 7.275 1.00 65.35 C ATOM 412 CZ3 TRP A 25 0.388 4.734 6.302 1.00 51.21 C ATOM 413 CH2 TRP A 25 1.504 5.391 6.819 1.00 60.14 C ATOM 0 H TRP A 25 -3.744 4.930 7.805 1.00 12.12 H new ATOM 0 HA TRP A 25 -4.587 7.754 8.140 1.00 63.31 H new ATOM 0 HB2 TRP A 25 -3.435 6.595 5.571 1.00 44.24 H new ATOM 0 HB3 TRP A 25 -3.831 8.269 5.904 1.00 44.24 H new ATOM 0 HD1 TRP A 25 -2.066 9.637 7.542 1.00 35.32 H new ATOM 0 HE1 TRP A 25 0.448 9.267 8.006 1.00 14.12 H new ATOM 0 HE3 TRP A 25 -1.688 4.856 5.835 1.00 63.10 H new ATOM 0 HZ2 TRP A 25 2.304 7.179 7.669 1.00 65.35 H new ATOM 0 HZ3 TRP A 25 0.481 3.718 5.949 1.00 51.21 H new ATOM 0 HH2 TRP A 25 2.449 4.870 6.860 1.00 60.14 H new ATOM 424 N PRO A 26 -6.904 6.568 7.535 1.00 42.12 N ATOM 425 CA PRO A 26 -8.230 6.256 6.924 1.00 55.52 C ATOM 426 C PRO A 26 -8.549 7.189 5.730 1.00 42.14 C ATOM 427 O PRO A 26 -9.347 6.855 4.844 1.00 73.31 O ATOM 428 CB PRO A 26 -9.216 6.463 8.102 1.00 71.02 C ATOM 429 CG PRO A 26 -8.505 7.382 9.054 1.00 11.30 C ATOM 430 CD PRO A 26 -7.041 7.030 8.945 1.00 54.13 C ATOM 0 HA PRO A 26 -8.279 5.253 6.501 1.00 55.52 H new ATOM 0 HB2 PRO A 26 -10.153 6.900 7.759 1.00 71.02 H new ATOM 0 HB3 PRO A 26 -9.463 5.515 8.580 1.00 71.02 H new ATOM 0 HG2 PRO A 26 -8.677 8.426 8.792 1.00 11.30 H new ATOM 0 HG3 PRO A 26 -8.866 7.245 10.073 1.00 11.30 H new ATOM 0 HD2 PRO A 26 -6.404 7.890 9.150 1.00 54.13 H new ATOM 0 HD3 PRO A 26 -6.761 6.250 9.653 1.00 54.13 H new ATOM 438 N LYS A 27 -7.865 8.341 5.720 1.00 34.31 N ATOM 439 CA LYS A 27 -7.995 9.398 4.706 1.00 3.53 C ATOM 440 C LYS A 27 -7.045 9.164 3.500 1.00 74.42 C ATOM 441 O LYS A 27 -6.722 10.108 2.760 1.00 44.34 O ATOM 442 CB LYS A 27 -7.680 10.756 5.391 1.00 55.31 C ATOM 443 CG LYS A 27 -6.226 10.876 5.907 1.00 41.35 C ATOM 444 CD LYS A 27 -5.964 12.200 6.656 1.00 2.53 C ATOM 445 CE LYS A 27 -4.464 12.458 6.867 1.00 71.25 C ATOM 446 NZ LYS A 27 -3.749 12.638 5.570 1.00 52.14 N ATOM 0 H LYS A 27 -7.182 8.571 6.442 1.00 34.31 H new ATOM 0 HA LYS A 27 -9.010 9.393 4.308 1.00 3.53 H new ATOM 0 HB2 LYS A 27 -7.871 11.562 4.683 1.00 55.31 H new ATOM 0 HB3 LYS A 27 -8.365 10.897 6.227 1.00 55.31 H new ATOM 0 HG2 LYS A 27 -6.011 10.039 6.572 1.00 41.35 H new ATOM 0 HG3 LYS A 27 -5.539 10.798 5.064 1.00 41.35 H new ATOM 0 HD2 LYS A 27 -6.398 13.026 6.093 1.00 2.53 H new ATOM 0 HD3 LYS A 27 -6.467 12.175 7.623 1.00 2.53 H new ATOM 0 HE2 LYS A 27 -4.330 13.347 7.483 1.00 71.25 H new ATOM 0 HE3 LYS A 27 -4.024 11.623 7.413 1.00 71.25 H new ATOM 0 HZ1 LYS A 27 -2.969 13.314 5.695 1.00 52.14 H new ATOM 0 HZ2 LYS A 27 -3.367 11.724 5.254 1.00 52.14 H new ATOM 0 HZ3 LYS A 27 -4.412 13.002 4.856 1.00 52.14 H new ATOM 460 N ALA A 28 -6.638 7.901 3.273 1.00 24.03 N ATOM 461 CA ALA A 28 -5.626 7.565 2.256 1.00 43.42 C ATOM 462 C ALA A 28 -6.342 6.841 1.119 1.00 4.52 C ATOM 463 O ALA A 28 -6.912 5.763 1.353 1.00 34.24 O ATOM 464 CB ALA A 28 -4.498 6.711 2.850 1.00 12.21 C ATOM 0 H ALA A 28 -6.997 7.094 3.783 1.00 24.03 H new ATOM 0 HA ALA A 28 -5.151 8.471 1.881 1.00 43.42 H new ATOM 0 HB1 ALA A 28 -3.768 6.481 2.074 1.00 12.21 H new ATOM 0 HB2 ALA A 28 -4.010 7.261 3.655 1.00 12.21 H new ATOM 0 HB3 ALA A 28 -4.913 5.783 3.244 1.00 12.21 H new ATOM 470 N THR A 29 -6.367 7.420 -0.091 1.00 64.40 N ATOM 471 CA THR A 29 -7.051 6.823 -1.238 1.00 54.22 C ATOM 472 C THR A 29 -6.250 5.614 -1.757 1.00 2.23 C ATOM 473 O THR A 29 -5.167 5.781 -2.307 1.00 23.14 O ATOM 474 CB THR A 29 -7.227 7.896 -2.367 1.00 31.12 C ATOM 475 OG1 THR A 29 -7.888 9.058 -1.827 1.00 35.34 O ATOM 476 CG2 THR A 29 -8.024 7.366 -3.583 1.00 15.32 C ATOM 0 H THR A 29 -5.915 8.311 -0.297 1.00 64.40 H new ATOM 0 HA THR A 29 -8.037 6.476 -0.930 1.00 54.22 H new ATOM 0 HB THR A 29 -6.230 8.152 -2.725 1.00 31.12 H new ATOM 0 HG1 THR A 29 -7.997 9.730 -2.532 1.00 35.34 H new ATOM 0 HG21 THR A 29 -8.113 8.154 -4.331 1.00 15.32 H new ATOM 0 HG22 THR A 29 -7.503 6.512 -4.016 1.00 15.32 H new ATOM 0 HG23 THR A 29 -9.019 7.058 -3.260 1.00 15.32 H new ATOM 484 N VAL A 30 -6.767 4.398 -1.528 1.00 75.20 N ATOM 485 CA VAL A 30 -6.159 3.159 -2.039 1.00 24.13 C ATOM 486 C VAL A 30 -7.091 2.615 -3.127 1.00 50.40 C ATOM 487 O VAL A 30 -8.244 2.279 -2.835 1.00 10.51 O ATOM 488 CB VAL A 30 -5.954 2.045 -0.928 1.00 33.41 C ATOM 489 CG1 VAL A 30 -5.068 0.894 -1.470 1.00 34.14 C ATOM 490 CG2 VAL A 30 -5.373 2.629 0.386 1.00 62.43 C ATOM 0 H VAL A 30 -7.617 4.245 -0.985 1.00 75.20 H new ATOM 0 HA VAL A 30 -5.165 3.399 -2.415 1.00 24.13 H new ATOM 0 HB VAL A 30 -6.936 1.641 -0.684 1.00 33.41 H new ATOM 0 HG11 VAL A 30 -4.938 0.139 -0.695 1.00 34.14 H new ATOM 0 HG12 VAL A 30 -5.548 0.443 -2.339 1.00 34.14 H new ATOM 0 HG13 VAL A 30 -4.094 1.289 -1.758 1.00 34.14 H new ATOM 0 HG21 VAL A 30 -5.250 1.829 1.117 1.00 62.43 H new ATOM 0 HG22 VAL A 30 -4.405 3.087 0.184 1.00 62.43 H new ATOM 0 HG23 VAL A 30 -6.055 3.381 0.783 1.00 62.43 H new ATOM 500 N THR A 31 -6.619 2.559 -4.369 1.00 42.22 N ATOM 501 CA THR A 31 -7.372 2.021 -5.492 1.00 51.32 C ATOM 502 C THR A 31 -7.000 0.539 -5.652 1.00 11.21 C ATOM 503 O THR A 31 -5.808 0.193 -5.735 1.00 0.24 O ATOM 504 CB THR A 31 -7.012 2.813 -6.792 1.00 33.22 C ATOM 505 OG1 THR A 31 -7.169 4.229 -6.555 1.00 33.44 O ATOM 506 CG2 THR A 31 -7.875 2.386 -7.994 1.00 52.22 C ATOM 0 H THR A 31 -5.689 2.891 -4.625 1.00 42.22 H new ATOM 0 HA THR A 31 -8.443 2.117 -5.315 1.00 51.32 H new ATOM 0 HB THR A 31 -5.975 2.586 -7.040 1.00 33.22 H new ATOM 0 HG1 THR A 31 -6.942 4.724 -7.370 1.00 33.44 H new ATOM 0 HG21 THR A 31 -7.587 2.964 -8.872 1.00 52.22 H new ATOM 0 HG22 THR A 31 -7.723 1.325 -8.192 1.00 52.22 H new ATOM 0 HG23 THR A 31 -8.926 2.566 -7.769 1.00 52.22 H new ATOM 514 N ARG A 32 -8.022 -0.325 -5.679 1.00 31.42 N ATOM 515 CA ARG A 32 -7.853 -1.780 -5.755 1.00 12.34 C ATOM 516 C ARG A 32 -7.642 -2.187 -7.224 1.00 34.32 C ATOM 517 O ARG A 32 -8.418 -1.787 -8.100 1.00 3.43 O ATOM 518 CB ARG A 32 -9.105 -2.474 -5.154 1.00 52.33 C ATOM 519 CG ARG A 32 -9.138 -4.015 -5.262 1.00 63.33 C ATOM 520 CD ARG A 32 -10.454 -4.603 -4.720 1.00 64.02 C ATOM 521 NE ARG A 32 -11.639 -4.013 -5.372 1.00 72.14 N ATOM 522 CZ ARG A 32 -12.919 -4.256 -5.033 1.00 10.13 C ATOM 523 NH1 ARG A 32 -13.225 -5.094 -4.045 1.00 31.12 N ATOM 524 NH2 ARG A 32 -13.890 -3.624 -5.675 1.00 10.54 N ATOM 0 H ARG A 32 -8.998 -0.030 -5.648 1.00 31.42 H new ATOM 0 HA ARG A 32 -6.980 -2.092 -5.181 1.00 12.34 H new ATOM 0 HB2 ARG A 32 -9.178 -2.201 -4.101 1.00 52.33 H new ATOM 0 HB3 ARG A 32 -9.991 -2.075 -5.649 1.00 52.33 H new ATOM 0 HG2 ARG A 32 -9.012 -4.308 -6.304 1.00 63.33 H new ATOM 0 HG3 ARG A 32 -8.298 -4.435 -4.709 1.00 63.33 H new ATOM 0 HD2 ARG A 32 -10.457 -5.682 -4.872 1.00 64.02 H new ATOM 0 HD3 ARG A 32 -10.510 -4.433 -3.645 1.00 64.02 H new ATOM 0 HE ARG A 32 -11.475 -3.367 -6.144 1.00 72.14 H new ATOM 0 HH11 ARG A 32 -12.483 -5.566 -3.529 1.00 31.12 H new ATOM 0 HH12 ARG A 32 -14.202 -5.264 -3.804 1.00 31.12 H new ATOM 0 HH21 ARG A 32 -13.664 -2.962 -6.417 1.00 10.54 H new ATOM 0 HH22 ARG A 32 -14.864 -3.800 -5.427 1.00 10.54 H new ATOM 538 N THR A 33 -6.581 -2.959 -7.470 1.00 32.23 N ATOM 539 CA THR A 33 -6.205 -3.465 -8.799 1.00 50.25 C ATOM 540 C THR A 33 -5.816 -4.944 -8.630 1.00 74.03 C ATOM 541 O THR A 33 -5.035 -5.265 -7.733 1.00 32.02 O ATOM 542 CB THR A 33 -5.026 -2.619 -9.416 1.00 43.24 C ATOM 543 OG1 THR A 33 -4.002 -2.417 -8.434 1.00 60.34 O ATOM 544 CG2 THR A 33 -5.494 -1.243 -9.932 1.00 2.05 C ATOM 0 H THR A 33 -5.941 -3.259 -6.734 1.00 32.23 H new ATOM 0 HA THR A 33 -7.039 -3.375 -9.495 1.00 50.25 H new ATOM 0 HB THR A 33 -4.641 -3.186 -10.264 1.00 43.24 H new ATOM 0 HG1 THR A 33 -3.273 -1.892 -8.825 1.00 60.34 H new ATOM 0 HG21 THR A 33 -4.644 -0.701 -10.346 1.00 2.05 H new ATOM 0 HG22 THR A 33 -6.248 -1.382 -10.707 1.00 2.05 H new ATOM 0 HG23 THR A 33 -5.921 -0.672 -9.108 1.00 2.05 H new ATOM 552 N ASN A 34 -6.374 -5.861 -9.445 1.00 24.14 N ATOM 553 CA ASN A 34 -6.144 -7.306 -9.271 1.00 11.45 C ATOM 554 C ASN A 34 -4.683 -7.664 -9.651 1.00 51.11 C ATOM 555 O ASN A 34 -4.337 -7.678 -10.837 1.00 61.33 O ATOM 556 CB ASN A 34 -7.154 -8.112 -10.138 1.00 1.14 C ATOM 557 CG ASN A 34 -7.116 -9.631 -9.900 1.00 65.41 C ATOM 558 OD1 ASN A 34 -6.856 -10.098 -8.790 1.00 73.13 O ATOM 559 ND2 ASN A 34 -7.376 -10.407 -10.941 1.00 2.12 N ATOM 0 H ASN A 34 -6.985 -5.626 -10.227 1.00 24.14 H new ATOM 0 HA ASN A 34 -6.299 -7.570 -8.225 1.00 11.45 H new ATOM 0 HB2 ASN A 34 -8.161 -7.749 -9.935 1.00 1.14 H new ATOM 0 HB3 ASN A 34 -6.950 -7.915 -11.191 1.00 1.14 H new ATOM 0 HD21 ASN A 34 -7.364 -11.422 -10.836 1.00 2.12 H new ATOM 0 HD22 ASN A 34 -7.588 -9.990 -11.848 1.00 2.12 H new ATOM 566 N GLY A 35 -3.843 -7.937 -8.630 1.00 64.43 N ATOM 567 CA GLY A 35 -2.408 -8.205 -8.825 1.00 32.22 C ATOM 568 C GLY A 35 -1.501 -7.092 -8.298 1.00 42.02 C ATOM 569 O GLY A 35 -0.289 -7.306 -8.167 1.00 50.44 O ATOM 0 H GLY A 35 -4.141 -7.977 -7.655 1.00 64.43 H new ATOM 0 HA2 GLY A 35 -2.150 -9.139 -8.326 1.00 32.22 H new ATOM 0 HA3 GLY A 35 -2.215 -8.347 -9.888 1.00 32.22 H new ATOM 573 N ASP A 36 -2.076 -5.903 -7.993 1.00 64.32 N ATOM 574 CA ASP A 36 -1.305 -4.724 -7.515 1.00 74.44 C ATOM 575 C ASP A 36 -2.078 -3.929 -6.441 1.00 51.32 C ATOM 576 O ASP A 36 -3.242 -4.208 -6.149 1.00 52.21 O ATOM 577 CB ASP A 36 -0.940 -3.774 -8.691 1.00 14.23 C ATOM 578 CG ASP A 36 0.062 -4.366 -9.688 1.00 42.20 C ATOM 579 OD1 ASP A 36 1.222 -4.614 -9.302 1.00 72.42 O ATOM 580 OD2 ASP A 36 -0.286 -4.545 -10.877 1.00 11.53 O ATOM 0 H ASP A 36 -3.079 -5.733 -8.070 1.00 64.32 H new ATOM 0 HA ASP A 36 -0.389 -5.113 -7.069 1.00 74.44 H new ATOM 0 HB2 ASP A 36 -1.852 -3.507 -9.225 1.00 14.23 H new ATOM 0 HB3 ASP A 36 -0.528 -2.851 -8.283 1.00 14.23 H new ATOM 585 N ILE A 37 -1.396 -2.939 -5.853 1.00 54.22 N ATOM 586 CA ILE A 37 -1.968 -1.964 -4.924 1.00 53.43 C ATOM 587 C ILE A 37 -1.519 -0.576 -5.383 1.00 41.34 C ATOM 588 O ILE A 37 -0.330 -0.259 -5.320 1.00 61.03 O ATOM 589 CB ILE A 37 -1.494 -2.213 -3.432 1.00 42.22 C ATOM 590 CG1 ILE A 37 -2.079 -3.548 -2.872 1.00 63.14 C ATOM 591 CG2 ILE A 37 -1.862 -1.021 -2.504 1.00 34.45 C ATOM 592 CD1 ILE A 37 -3.594 -3.545 -2.694 1.00 20.54 C ATOM 0 H ILE A 37 -0.400 -2.792 -6.017 1.00 54.22 H new ATOM 0 HA ILE A 37 -3.054 -2.057 -4.931 1.00 53.43 H new ATOM 0 HB ILE A 37 -0.407 -2.295 -3.449 1.00 42.22 H new ATOM 0 HG12 ILE A 37 -1.806 -4.361 -3.545 1.00 63.14 H new ATOM 0 HG13 ILE A 37 -1.613 -3.760 -1.910 1.00 63.14 H new ATOM 0 HG21 ILE A 37 -1.520 -1.230 -1.490 1.00 34.45 H new ATOM 0 HG22 ILE A 37 -1.381 -0.114 -2.869 1.00 34.45 H new ATOM 0 HG23 ILE A 37 -2.943 -0.882 -2.501 1.00 34.45 H new ATOM 0 HD11 ILE A 37 -3.916 -4.509 -2.301 1.00 20.54 H new ATOM 0 HD12 ILE A 37 -3.877 -2.756 -1.997 1.00 20.54 H new ATOM 0 HD13 ILE A 37 -4.073 -3.367 -3.657 1.00 20.54 H new ATOM 604 N LYS A 38 -2.454 0.230 -5.894 1.00 75.12 N ATOM 605 CA LYS A 38 -2.194 1.642 -6.204 1.00 61.14 C ATOM 606 C LYS A 38 -2.654 2.502 -5.033 1.00 4.33 C ATOM 607 O LYS A 38 -3.844 2.597 -4.758 1.00 22.41 O ATOM 608 CB LYS A 38 -2.890 2.075 -7.528 1.00 53.05 C ATOM 609 CG LYS A 38 -2.074 1.730 -8.791 1.00 32.25 C ATOM 610 CD LYS A 38 -2.736 2.263 -10.081 1.00 43.34 C ATOM 611 CE LYS A 38 -1.769 2.281 -11.274 1.00 22.44 C ATOM 612 NZ LYS A 38 -0.610 3.188 -11.035 1.00 42.35 N ATOM 0 H LYS A 38 -3.405 -0.073 -6.104 1.00 75.12 H new ATOM 0 HA LYS A 38 -1.123 1.780 -6.353 1.00 61.14 H new ATOM 0 HB2 LYS A 38 -3.865 1.592 -7.592 1.00 53.05 H new ATOM 0 HB3 LYS A 38 -3.067 3.150 -7.502 1.00 53.05 H new ATOM 0 HG2 LYS A 38 -1.072 2.150 -8.699 1.00 32.25 H new ATOM 0 HG3 LYS A 38 -1.961 0.648 -8.864 1.00 32.25 H new ATOM 0 HD2 LYS A 38 -3.598 1.643 -10.326 1.00 43.34 H new ATOM 0 HD3 LYS A 38 -3.109 3.272 -9.904 1.00 43.34 H new ATOM 0 HE2 LYS A 38 -1.407 1.271 -11.463 1.00 22.44 H new ATOM 0 HE3 LYS A 38 -2.302 2.601 -12.169 1.00 22.44 H new ATOM 0 HZ1 LYS A 38 -0.493 3.824 -11.850 1.00 42.35 H new ATOM 0 HZ2 LYS A 38 -0.781 3.752 -10.178 1.00 42.35 H new ATOM 0 HZ3 LYS A 38 0.254 2.622 -10.911 1.00 42.35 H new ATOM 626 N LEU A 39 -1.693 3.098 -4.336 1.00 51.10 N ATOM 627 CA LEU A 39 -1.940 3.993 -3.205 1.00 41.22 C ATOM 628 C LEU A 39 -1.632 5.436 -3.624 1.00 60.52 C ATOM 629 O LEU A 39 -0.689 5.687 -4.381 1.00 21.15 O ATOM 630 CB LEU A 39 -1.074 3.572 -1.987 1.00 75.32 C ATOM 631 CG LEU A 39 -1.078 4.538 -0.752 1.00 11.44 C ATOM 632 CD1 LEU A 39 -2.502 4.791 -0.209 1.00 12.43 C ATOM 633 CD2 LEU A 39 -0.152 3.997 0.341 1.00 40.03 C ATOM 0 H LEU A 39 -0.702 2.972 -4.543 1.00 51.10 H new ATOM 0 HA LEU A 39 -2.987 3.928 -2.910 1.00 41.22 H new ATOM 0 HB2 LEU A 39 -1.411 2.591 -1.653 1.00 75.32 H new ATOM 0 HB3 LEU A 39 -0.044 3.457 -2.325 1.00 75.32 H new ATOM 0 HG LEU A 39 -0.701 5.505 -1.085 1.00 11.44 H new ATOM 0 HD11 LEU A 39 -2.451 5.466 0.645 1.00 12.43 H new ATOM 0 HD12 LEU A 39 -3.115 5.241 -0.990 1.00 12.43 H new ATOM 0 HD13 LEU A 39 -2.946 3.845 0.102 1.00 12.43 H new ATOM 0 HD21 LEU A 39 -0.162 4.675 1.194 1.00 40.03 H new ATOM 0 HD22 LEU A 39 -0.497 3.012 0.656 1.00 40.03 H new ATOM 0 HD23 LEU A 39 0.863 3.918 -0.048 1.00 40.03 H new ATOM 645 N ASP A 40 -2.451 6.358 -3.126 1.00 23.22 N ATOM 646 CA ASP A 40 -2.233 7.791 -3.241 1.00 55.42 C ATOM 647 C ASP A 40 -1.626 8.272 -1.922 1.00 32.21 C ATOM 648 O ASP A 40 -2.310 8.322 -0.889 1.00 53.52 O ATOM 649 CB ASP A 40 -3.562 8.523 -3.532 1.00 63.42 C ATOM 650 CG ASP A 40 -3.409 10.056 -3.513 1.00 21.24 C ATOM 651 OD1 ASP A 40 -2.693 10.596 -4.377 1.00 64.14 O ATOM 652 OD2 ASP A 40 -4.012 10.726 -2.643 1.00 4.44 O ATOM 0 H ASP A 40 -3.304 6.121 -2.620 1.00 23.22 H new ATOM 0 HA ASP A 40 -1.558 8.008 -4.069 1.00 55.42 H new ATOM 0 HB2 ASP A 40 -3.939 8.211 -4.506 1.00 63.42 H new ATOM 0 HB3 ASP A 40 -4.306 8.226 -2.792 1.00 63.42 H new ATOM 657 N ALA A 41 -0.328 8.563 -1.955 1.00 32.30 N ATOM 658 CA ALA A 41 0.389 9.138 -0.822 1.00 34.40 C ATOM 659 C ALA A 41 0.169 10.647 -0.821 1.00 34.25 C ATOM 660 O ALA A 41 0.260 11.283 -1.881 1.00 43.44 O ATOM 661 CB ALA A 41 1.885 8.801 -0.920 1.00 4.11 C ATOM 0 H ALA A 41 0.259 8.405 -2.774 1.00 32.30 H new ATOM 0 HA ALA A 41 0.013 8.720 0.112 1.00 34.40 H new ATOM 0 HB1 ALA A 41 2.412 9.234 -0.070 1.00 4.11 H new ATOM 0 HB2 ALA A 41 2.015 7.719 -0.914 1.00 4.11 H new ATOM 0 HB3 ALA A 41 2.290 9.210 -1.845 1.00 4.11 H new ATOM 667 N GLN A 42 -0.172 11.205 0.361 1.00 13.44 N ATOM 668 CA GLN A 42 -0.345 12.663 0.546 1.00 22.21 C ATOM 669 C GLN A 42 0.926 13.403 0.106 1.00 62.43 C ATOM 670 O GLN A 42 0.876 14.334 -0.703 1.00 5.43 O ATOM 671 CB GLN A 42 -0.677 13.001 2.026 1.00 40.33 C ATOM 672 CG GLN A 42 -0.928 14.505 2.300 1.00 33.53 C ATOM 673 CD GLN A 42 -1.098 14.849 3.780 1.00 1.21 C ATOM 674 OE1 GLN A 42 -1.560 14.038 4.579 1.00 41.13 O ATOM 675 NE2 GLN A 42 -0.742 16.063 4.147 1.00 75.41 N ATOM 0 H GLN A 42 -0.334 10.662 1.209 1.00 13.44 H new ATOM 0 HA GLN A 42 -1.181 12.990 -0.072 1.00 22.21 H new ATOM 0 HB2 GLN A 42 -1.561 12.438 2.325 1.00 40.33 H new ATOM 0 HB3 GLN A 42 0.145 12.662 2.656 1.00 40.33 H new ATOM 0 HG2 GLN A 42 -0.095 15.081 1.897 1.00 33.53 H new ATOM 0 HG3 GLN A 42 -1.822 14.818 1.760 1.00 33.53 H new ATOM 0 HE21 GLN A 42 -0.362 16.713 3.459 1.00 75.41 H new ATOM 0 HE22 GLN A 42 -0.847 16.353 5.119 1.00 75.41 H new ATOM 684 N THR A 43 2.055 12.938 0.642 1.00 73.23 N ATOM 685 CA THR A 43 3.397 13.389 0.260 1.00 4.54 C ATOM 686 C THR A 43 4.362 12.191 0.303 1.00 44.42 C ATOM 687 O THR A 43 4.020 11.132 0.841 1.00 12.32 O ATOM 688 CB THR A 43 3.900 14.571 1.174 1.00 64.34 C ATOM 689 OG1 THR A 43 5.247 14.945 0.824 1.00 14.33 O ATOM 690 CG2 THR A 43 3.828 14.231 2.677 1.00 33.41 C ATOM 0 H THR A 43 2.064 12.223 1.369 1.00 73.23 H new ATOM 0 HA THR A 43 3.361 13.782 -0.756 1.00 4.54 H new ATOM 0 HB THR A 43 3.228 15.410 0.995 1.00 64.34 H new ATOM 0 HG1 THR A 43 5.542 15.681 1.400 1.00 14.33 H new ATOM 0 HG21 THR A 43 4.186 15.080 3.260 1.00 33.41 H new ATOM 0 HG22 THR A 43 2.796 14.012 2.951 1.00 33.41 H new ATOM 0 HG23 THR A 43 4.451 13.361 2.883 1.00 33.41 H new ATOM 698 N GLU A 44 5.557 12.380 -0.271 1.00 20.41 N ATOM 699 CA GLU A 44 6.614 11.360 -0.344 1.00 14.02 C ATOM 700 C GLU A 44 7.191 11.079 1.050 1.00 32.11 C ATOM 701 O GLU A 44 7.646 9.967 1.320 1.00 70.32 O ATOM 702 CB GLU A 44 7.728 11.805 -1.356 1.00 4.44 C ATOM 703 CG GLU A 44 7.740 11.002 -2.672 1.00 5.52 C ATOM 704 CD GLU A 44 8.114 9.521 -2.479 1.00 12.04 C ATOM 705 OE1 GLU A 44 9.294 9.246 -2.180 1.00 11.04 O ATOM 706 OE2 GLU A 44 7.261 8.626 -2.666 1.00 44.10 O ATOM 0 H GLU A 44 5.823 13.263 -0.707 1.00 20.41 H new ATOM 0 HA GLU A 44 6.183 10.429 -0.711 1.00 14.02 H new ATOM 0 HB2 GLU A 44 7.592 12.861 -1.589 1.00 4.44 H new ATOM 0 HB3 GLU A 44 8.701 11.708 -0.875 1.00 4.44 H new ATOM 0 HG2 GLU A 44 6.756 11.063 -3.136 1.00 5.52 H new ATOM 0 HG3 GLU A 44 8.447 11.461 -3.363 1.00 5.52 H new ATOM 713 N LYS A 45 7.140 12.097 1.927 1.00 34.52 N ATOM 714 CA LYS A 45 7.554 11.960 3.330 1.00 50.22 C ATOM 715 C LYS A 45 6.600 11.018 4.080 1.00 51.31 C ATOM 716 O LYS A 45 7.028 10.246 4.940 1.00 32.11 O ATOM 717 CB LYS A 45 7.622 13.352 4.023 1.00 10.24 C ATOM 718 CG LYS A 45 8.179 13.358 5.484 1.00 71.12 C ATOM 719 CD LYS A 45 9.745 13.394 5.628 1.00 24.40 C ATOM 720 CE LYS A 45 10.503 12.112 5.172 1.00 24.44 C ATOM 721 NZ LYS A 45 10.828 12.112 3.710 1.00 3.52 N ATOM 0 H LYS A 45 6.812 13.032 1.683 1.00 34.52 H new ATOM 0 HA LYS A 45 8.553 11.525 3.355 1.00 50.22 H new ATOM 0 HB2 LYS A 45 8.243 14.010 3.415 1.00 10.24 H new ATOM 0 HB3 LYS A 45 6.620 13.781 4.035 1.00 10.24 H new ATOM 0 HG2 LYS A 45 7.767 14.222 6.005 1.00 71.12 H new ATOM 0 HG3 LYS A 45 7.808 12.470 5.996 1.00 71.12 H new ATOM 0 HD2 LYS A 45 10.123 14.239 5.053 1.00 24.40 H new ATOM 0 HD3 LYS A 45 9.989 13.584 6.673 1.00 24.40 H new ATOM 0 HE2 LYS A 45 11.427 12.020 5.744 1.00 24.44 H new ATOM 0 HE3 LYS A 45 9.896 11.236 5.404 1.00 24.44 H new ATOM 0 HZ1 LYS A 45 10.617 11.177 3.307 1.00 3.52 H new ATOM 0 HZ2 LYS A 45 10.256 12.834 3.227 1.00 3.52 H new ATOM 0 HZ3 LYS A 45 11.837 12.325 3.579 1.00 3.52 H new ATOM 735 N GLU A 46 5.309 11.081 3.707 1.00 71.24 N ATOM 736 CA GLU A 46 4.269 10.211 4.267 1.00 32.01 C ATOM 737 C GLU A 46 4.358 8.804 3.634 1.00 63.43 C ATOM 738 O GLU A 46 4.055 7.798 4.285 1.00 14.11 O ATOM 739 CB GLU A 46 2.857 10.823 4.034 1.00 41.24 C ATOM 740 CG GLU A 46 1.785 10.291 5.000 1.00 41.22 C ATOM 741 CD GLU A 46 2.076 10.667 6.467 1.00 32.13 C ATOM 742 OE1 GLU A 46 1.762 11.810 6.864 1.00 52.14 O ATOM 743 OE2 GLU A 46 2.629 9.836 7.228 1.00 71.42 O ATOM 0 H GLU A 46 4.961 11.738 3.008 1.00 71.24 H new ATOM 0 HA GLU A 46 4.430 10.124 5.342 1.00 32.01 H new ATOM 0 HB2 GLU A 46 2.919 11.906 4.135 1.00 41.24 H new ATOM 0 HB3 GLU A 46 2.546 10.616 3.010 1.00 41.24 H new ATOM 0 HG2 GLU A 46 0.812 10.688 4.712 1.00 41.22 H new ATOM 0 HG3 GLU A 46 1.726 9.206 4.911 1.00 41.22 H new ATOM 750 N ALA A 47 4.817 8.774 2.361 1.00 71.44 N ATOM 751 CA ALA A 47 4.993 7.536 1.574 1.00 50.32 C ATOM 752 C ALA A 47 6.037 6.603 2.206 1.00 73.11 C ATOM 753 O ALA A 47 5.988 5.394 1.999 1.00 33.22 O ATOM 754 CB ALA A 47 5.395 7.880 0.138 1.00 63.34 C ATOM 0 H ALA A 47 5.077 9.617 1.849 1.00 71.44 H new ATOM 0 HA ALA A 47 4.039 7.008 1.567 1.00 50.32 H new ATOM 0 HB1 ALA A 47 5.522 6.961 -0.434 1.00 63.34 H new ATOM 0 HB2 ALA A 47 4.617 8.489 -0.322 1.00 63.34 H new ATOM 0 HB3 ALA A 47 6.333 8.435 0.146 1.00 63.34 H new ATOM 760 N GLU A 48 6.963 7.198 2.980 1.00 13.24 N ATOM 761 CA GLU A 48 8.024 6.471 3.703 1.00 54.12 C ATOM 762 C GLU A 48 7.440 5.484 4.733 1.00 72.42 C ATOM 763 O GLU A 48 7.963 4.379 4.908 1.00 72.23 O ATOM 764 CB GLU A 48 8.964 7.483 4.410 1.00 22.50 C ATOM 765 CG GLU A 48 9.592 8.540 3.478 1.00 72.25 C ATOM 766 CD GLU A 48 10.423 7.940 2.328 1.00 74.21 C ATOM 767 OE1 GLU A 48 11.632 7.692 2.531 1.00 73.01 O ATOM 768 OE2 GLU A 48 9.883 7.729 1.212 1.00 12.12 O ATOM 0 H GLU A 48 6.996 8.207 3.123 1.00 13.24 H new ATOM 0 HA GLU A 48 8.590 5.891 2.974 1.00 54.12 H new ATOM 0 HB2 GLU A 48 8.402 7.995 5.191 1.00 22.50 H new ATOM 0 HB3 GLU A 48 9.765 6.931 4.903 1.00 22.50 H new ATOM 0 HG2 GLU A 48 8.798 9.157 3.057 1.00 72.25 H new ATOM 0 HG3 GLU A 48 10.229 9.199 4.068 1.00 72.25 H new ATOM 775 N LYS A 49 6.356 5.903 5.410 1.00 14.32 N ATOM 776 CA LYS A 49 5.671 5.067 6.419 1.00 73.23 C ATOM 777 C LYS A 49 4.626 4.169 5.717 1.00 54.12 C ATOM 778 O LYS A 49 4.316 3.081 6.192 1.00 44.12 O ATOM 779 CB LYS A 49 4.951 5.910 7.522 1.00 10.52 C ATOM 780 CG LYS A 49 5.751 7.060 8.191 1.00 42.41 C ATOM 781 CD LYS A 49 5.821 8.335 7.311 1.00 11.54 C ATOM 782 CE LYS A 49 6.233 9.603 8.082 1.00 52.24 C ATOM 783 NZ LYS A 49 5.165 10.040 9.016 1.00 62.44 N ATOM 0 H LYS A 49 5.932 6.821 5.277 1.00 14.32 H new ATOM 0 HA LYS A 49 6.439 4.470 6.911 1.00 73.23 H new ATOM 0 HB2 LYS A 49 4.052 6.340 7.081 1.00 10.52 H new ATOM 0 HB3 LYS A 49 4.626 5.227 8.307 1.00 10.52 H new ATOM 0 HG2 LYS A 49 5.290 7.309 9.147 1.00 42.41 H new ATOM 0 HG3 LYS A 49 6.763 6.716 8.405 1.00 42.41 H new ATOM 0 HD2 LYS A 49 6.531 8.167 6.501 1.00 11.54 H new ATOM 0 HD3 LYS A 49 4.847 8.501 6.851 1.00 11.54 H new ATOM 0 HE2 LYS A 49 7.149 9.410 8.640 1.00 52.24 H new ATOM 0 HE3 LYS A 49 6.452 10.405 7.377 1.00 52.24 H new ATOM 0 HZ1 LYS A 49 5.362 11.008 9.340 1.00 62.44 H new ATOM 0 HZ2 LYS A 49 4.247 10.019 8.528 1.00 62.44 H new ATOM 0 HZ3 LYS A 49 5.137 9.400 9.835 1.00 62.44 H new ATOM 797 N MET A 50 4.043 4.710 4.627 1.00 55.34 N ATOM 798 CA MET A 50 3.026 4.009 3.799 1.00 13.14 C ATOM 799 C MET A 50 3.560 2.678 3.231 1.00 1.42 C ATOM 800 O MET A 50 2.997 1.609 3.506 1.00 24.41 O ATOM 801 CB MET A 50 2.481 4.939 2.682 1.00 35.23 C ATOM 802 CG MET A 50 1.550 6.047 3.192 1.00 25.12 C ATOM 803 SD MET A 50 0.841 7.045 1.872 1.00 23.23 S ATOM 804 CE MET A 50 -0.389 8.008 2.756 1.00 30.32 C ATOM 0 H MET A 50 4.262 5.648 4.291 1.00 55.34 H new ATOM 0 HA MET A 50 2.191 3.754 4.452 1.00 13.14 H new ATOM 0 HB2 MET A 50 3.322 5.396 2.162 1.00 35.23 H new ATOM 0 HB3 MET A 50 1.944 4.335 1.951 1.00 35.23 H new ATOM 0 HG2 MET A 50 0.744 5.597 3.771 1.00 25.12 H new ATOM 0 HG3 MET A 50 2.105 6.695 3.870 1.00 25.12 H new ATOM 0 HE1 MET A 50 -1.183 8.301 2.070 1.00 30.32 H new ATOM 0 HE2 MET A 50 -0.810 7.408 3.563 1.00 30.32 H new ATOM 0 HE3 MET A 50 0.078 8.900 3.173 1.00 30.32 H new ATOM 814 N GLU A 51 4.663 2.748 2.474 1.00 70.43 N ATOM 815 CA GLU A 51 5.375 1.548 1.955 1.00 2.30 C ATOM 816 C GLU A 51 5.838 0.599 3.106 1.00 54.33 C ATOM 817 O GLU A 51 5.929 -0.617 2.923 1.00 25.43 O ATOM 818 CB GLU A 51 6.593 2.004 1.109 1.00 54.53 C ATOM 819 CG GLU A 51 7.703 2.682 1.925 1.00 2.01 C ATOM 820 CD GLU A 51 8.828 3.258 1.062 1.00 41.33 C ATOM 821 OE1 GLU A 51 9.788 2.523 0.751 1.00 33.43 O ATOM 822 OE2 GLU A 51 8.759 4.449 0.709 1.00 60.10 O ATOM 0 H GLU A 51 5.095 3.630 2.199 1.00 70.43 H new ATOM 0 HA GLU A 51 4.681 0.982 1.334 1.00 2.30 H new ATOM 0 HB2 GLU A 51 7.011 1.138 0.597 1.00 54.53 H new ATOM 0 HB3 GLU A 51 6.249 2.695 0.339 1.00 54.53 H new ATOM 0 HG2 GLU A 51 7.267 3.483 2.522 1.00 2.01 H new ATOM 0 HG3 GLU A 51 8.125 1.958 2.622 1.00 2.01 H new ATOM 829 N LYS A 52 6.089 1.193 4.291 1.00 34.24 N ATOM 830 CA LYS A 52 6.527 0.474 5.503 1.00 45.51 C ATOM 831 C LYS A 52 5.331 -0.266 6.155 1.00 31.33 C ATOM 832 O LYS A 52 5.500 -1.329 6.769 1.00 70.22 O ATOM 833 CB LYS A 52 7.192 1.489 6.480 1.00 10.31 C ATOM 834 CG LYS A 52 7.739 0.890 7.788 1.00 10.13 C ATOM 835 CD LYS A 52 8.440 1.943 8.679 1.00 35.42 C ATOM 836 CE LYS A 52 8.916 1.365 10.022 1.00 22.32 C ATOM 837 NZ LYS A 52 7.785 0.846 10.834 1.00 70.11 N ATOM 0 H LYS A 52 5.992 2.198 4.434 1.00 34.24 H new ATOM 0 HA LYS A 52 7.264 -0.286 5.243 1.00 45.51 H new ATOM 0 HB2 LYS A 52 8.010 1.986 5.958 1.00 10.31 H new ATOM 0 HB3 LYS A 52 6.461 2.257 6.731 1.00 10.31 H new ATOM 0 HG2 LYS A 52 6.920 0.436 8.345 1.00 10.13 H new ATOM 0 HG3 LYS A 52 8.444 0.093 7.551 1.00 10.13 H new ATOM 0 HD2 LYS A 52 9.295 2.355 8.143 1.00 35.42 H new ATOM 0 HD3 LYS A 52 7.753 2.768 8.867 1.00 35.42 H new ATOM 0 HE2 LYS A 52 9.630 0.562 9.839 1.00 22.32 H new ATOM 0 HE3 LYS A 52 9.442 2.137 10.584 1.00 22.32 H new ATOM 0 HZ1 LYS A 52 8.116 0.638 11.798 1.00 70.11 H new ATOM 0 HZ2 LYS A 52 7.030 1.560 10.874 1.00 70.11 H new ATOM 0 HZ3 LYS A 52 7.416 -0.024 10.400 1.00 70.11 H new ATOM 851 N ALA A 53 4.124 0.316 6.003 1.00 35.12 N ATOM 852 CA ALA A 53 2.860 -0.297 6.451 1.00 34.12 C ATOM 853 C ALA A 53 2.517 -1.550 5.624 1.00 44.12 C ATOM 854 O ALA A 53 2.031 -2.544 6.171 1.00 35.00 O ATOM 855 CB ALA A 53 1.717 0.732 6.395 1.00 31.44 C ATOM 0 H ALA A 53 4.000 1.228 5.564 1.00 35.12 H new ATOM 0 HA ALA A 53 2.988 -0.616 7.485 1.00 34.12 H new ATOM 0 HB1 ALA A 53 0.790 0.265 6.729 1.00 31.44 H new ATOM 0 HB2 ALA A 53 1.953 1.574 7.045 1.00 31.44 H new ATOM 0 HB3 ALA A 53 1.597 1.087 5.371 1.00 31.44 H new ATOM 861 N VAL A 54 2.795 -1.480 4.311 1.00 21.10 N ATOM 862 CA VAL A 54 2.668 -2.622 3.377 1.00 54.31 C ATOM 863 C VAL A 54 3.541 -3.816 3.844 1.00 32.43 C ATOM 864 O VAL A 54 3.087 -4.973 3.880 1.00 24.52 O ATOM 865 CB VAL A 54 3.119 -2.195 1.932 1.00 61.33 C ATOM 866 CG1 VAL A 54 2.999 -3.360 0.931 1.00 10.40 C ATOM 867 CG2 VAL A 54 2.343 -0.943 1.456 1.00 14.20 C ATOM 0 H VAL A 54 3.117 -0.624 3.860 1.00 21.10 H new ATOM 0 HA VAL A 54 1.622 -2.927 3.362 1.00 54.31 H new ATOM 0 HB VAL A 54 4.175 -1.928 1.979 1.00 61.33 H new ATOM 0 HG11 VAL A 54 3.319 -3.026 -0.056 1.00 10.40 H new ATOM 0 HG12 VAL A 54 3.630 -4.187 1.257 1.00 10.40 H new ATOM 0 HG13 VAL A 54 1.962 -3.693 0.882 1.00 10.40 H new ATOM 0 HG21 VAL A 54 2.674 -0.669 0.454 1.00 14.20 H new ATOM 0 HG22 VAL A 54 1.275 -1.162 1.438 1.00 14.20 H new ATOM 0 HG23 VAL A 54 2.533 -0.116 2.140 1.00 14.20 H new ATOM 877 N LYS A 55 4.795 -3.479 4.217 1.00 52.44 N ATOM 878 CA LYS A 55 5.806 -4.435 4.720 1.00 13.30 C ATOM 879 C LYS A 55 5.338 -5.248 5.946 1.00 1.20 C ATOM 880 O LYS A 55 5.845 -6.355 6.168 1.00 74.44 O ATOM 881 CB LYS A 55 7.133 -3.692 5.038 1.00 15.34 C ATOM 882 CG LYS A 55 7.849 -3.121 3.794 1.00 11.13 C ATOM 883 CD LYS A 55 9.003 -2.163 4.161 1.00 61.12 C ATOM 884 CE LYS A 55 9.818 -1.721 2.939 1.00 24.13 C ATOM 885 NZ LYS A 55 10.591 -2.848 2.360 1.00 1.44 N ATOM 0 H LYS A 55 5.139 -2.520 4.176 1.00 52.44 H new ATOM 0 HA LYS A 55 5.966 -5.159 3.921 1.00 13.30 H new ATOM 0 HB2 LYS A 55 6.923 -2.876 5.730 1.00 15.34 H new ATOM 0 HB3 LYS A 55 7.808 -4.378 5.549 1.00 15.34 H new ATOM 0 HG2 LYS A 55 8.241 -3.943 3.195 1.00 11.13 H new ATOM 0 HG3 LYS A 55 7.126 -2.592 3.174 1.00 11.13 H new ATOM 0 HD2 LYS A 55 8.595 -1.283 4.658 1.00 61.12 H new ATOM 0 HD3 LYS A 55 9.664 -2.654 4.875 1.00 61.12 H new ATOM 0 HE2 LYS A 55 9.148 -1.312 2.183 1.00 24.13 H new ATOM 0 HE3 LYS A 55 10.500 -0.921 3.226 1.00 24.13 H new ATOM 0 HZ1 LYS A 55 11.244 -2.486 1.636 1.00 1.44 H new ATOM 0 HZ2 LYS A 55 11.134 -3.319 3.112 1.00 1.44 H new ATOM 0 HZ3 LYS A 55 9.937 -3.531 1.926 1.00 1.44 H new ATOM 899 N LYS A 56 4.357 -4.723 6.712 1.00 55.02 N ATOM 900 CA LYS A 56 3.830 -5.409 7.924 1.00 40.10 C ATOM 901 C LYS A 56 3.100 -6.735 7.568 1.00 21.22 C ATOM 902 O LYS A 56 2.863 -7.566 8.446 1.00 44.02 O ATOM 903 CB LYS A 56 2.914 -4.450 8.750 1.00 70.31 C ATOM 904 CG LYS A 56 3.624 -3.140 9.188 1.00 44.20 C ATOM 905 CD LYS A 56 2.852 -2.272 10.227 1.00 25.02 C ATOM 906 CE LYS A 56 1.544 -1.636 9.702 1.00 3.53 C ATOM 907 NZ LYS A 56 0.401 -2.584 9.698 1.00 64.32 N ATOM 0 H LYS A 56 3.911 -3.827 6.517 1.00 55.02 H new ATOM 0 HA LYS A 56 4.682 -5.678 8.548 1.00 40.10 H new ATOM 0 HB2 LYS A 56 2.036 -4.197 8.155 1.00 70.31 H new ATOM 0 HB3 LYS A 56 2.558 -4.975 9.636 1.00 70.31 H new ATOM 0 HG2 LYS A 56 4.597 -3.397 9.607 1.00 44.20 H new ATOM 0 HG3 LYS A 56 3.809 -2.534 8.301 1.00 44.20 H new ATOM 0 HD2 LYS A 56 2.616 -2.892 11.092 1.00 25.02 H new ATOM 0 HD3 LYS A 56 3.511 -1.477 10.575 1.00 25.02 H new ATOM 0 HE2 LYS A 56 1.292 -0.774 10.319 1.00 3.53 H new ATOM 0 HE3 LYS A 56 1.707 -1.267 8.689 1.00 3.53 H new ATOM 0 HZ1 LYS A 56 -0.479 -2.066 9.501 1.00 64.32 H new ATOM 0 HZ2 LYS A 56 0.551 -3.305 8.964 1.00 64.32 H new ATOM 0 HZ3 LYS A 56 0.330 -3.046 10.627 1.00 64.32 H new ATOM 921 N VAL A 57 2.754 -6.907 6.277 1.00 64.34 N ATOM 922 CA VAL A 57 2.193 -8.164 5.709 1.00 11.32 C ATOM 923 C VAL A 57 3.252 -8.893 4.858 1.00 15.44 C ATOM 924 O VAL A 57 3.297 -10.131 4.815 1.00 11.01 O ATOM 925 CB VAL A 57 0.927 -7.846 4.821 1.00 65.32 C ATOM 926 CG1 VAL A 57 0.376 -9.086 4.063 1.00 2.12 C ATOM 927 CG2 VAL A 57 -0.169 -7.211 5.686 1.00 25.40 C ATOM 0 H VAL A 57 2.856 -6.168 5.582 1.00 64.34 H new ATOM 0 HA VAL A 57 1.898 -8.810 6.536 1.00 11.32 H new ATOM 0 HB VAL A 57 1.248 -7.142 4.053 1.00 65.32 H new ATOM 0 HG11 VAL A 57 -0.493 -8.795 3.473 1.00 2.12 H new ATOM 0 HG12 VAL A 57 1.148 -9.481 3.402 1.00 2.12 H new ATOM 0 HG13 VAL A 57 0.087 -9.853 4.782 1.00 2.12 H new ATOM 0 HG21 VAL A 57 -1.040 -6.994 5.068 1.00 25.40 H new ATOM 0 HG22 VAL A 57 -0.451 -7.902 6.481 1.00 25.40 H new ATOM 0 HG23 VAL A 57 0.204 -6.286 6.125 1.00 25.40 H new ATOM 937 N LYS A 58 4.137 -8.111 4.226 1.00 72.43 N ATOM 938 CA LYS A 58 5.063 -8.624 3.206 1.00 20.41 C ATOM 939 C LYS A 58 6.322 -7.725 3.154 1.00 13.24 C ATOM 940 O LYS A 58 6.304 -6.678 2.506 1.00 3.01 O ATOM 941 CB LYS A 58 4.349 -8.773 1.815 1.00 3.12 C ATOM 942 CG LYS A 58 3.429 -7.592 1.394 1.00 55.44 C ATOM 943 CD LYS A 58 2.653 -7.894 0.083 1.00 13.44 C ATOM 944 CE LYS A 58 3.578 -7.971 -1.145 1.00 30.02 C ATOM 945 NZ LYS A 58 2.917 -8.614 -2.308 1.00 21.22 N ATOM 0 H LYS A 58 4.232 -7.111 4.405 1.00 72.43 H new ATOM 0 HA LYS A 58 5.389 -9.628 3.477 1.00 20.41 H new ATOM 0 HB2 LYS A 58 5.113 -8.904 1.049 1.00 3.12 H new ATOM 0 HB3 LYS A 58 3.753 -9.685 1.830 1.00 3.12 H new ATOM 0 HG2 LYS A 58 2.720 -7.383 2.195 1.00 55.44 H new ATOM 0 HG3 LYS A 58 4.032 -6.694 1.259 1.00 55.44 H new ATOM 0 HD2 LYS A 58 2.118 -8.837 0.190 1.00 13.44 H new ATOM 0 HD3 LYS A 58 1.904 -7.119 -0.079 1.00 13.44 H new ATOM 0 HE2 LYS A 58 3.897 -6.966 -1.421 1.00 30.02 H new ATOM 0 HE3 LYS A 58 4.477 -8.530 -0.886 1.00 30.02 H new ATOM 0 HZ1 LYS A 58 3.591 -9.247 -2.784 1.00 21.22 H new ATOM 0 HZ2 LYS A 58 2.097 -9.164 -1.981 1.00 21.22 H new ATOM 0 HZ3 LYS A 58 2.599 -7.882 -2.975 1.00 21.22 H new ATOM 959 N PRO A 59 7.448 -8.116 3.852 1.00 11.42 N ATOM 960 CA PRO A 59 8.727 -7.336 3.846 1.00 51.11 C ATOM 961 C PRO A 59 9.435 -7.359 2.474 1.00 62.11 C ATOM 962 O PRO A 59 10.279 -6.499 2.179 1.00 3.13 O ATOM 963 CB PRO A 59 9.577 -8.048 4.931 1.00 44.01 C ATOM 964 CG PRO A 59 9.041 -9.448 4.978 1.00 15.23 C ATOM 965 CD PRO A 59 7.555 -9.320 4.731 1.00 32.44 C ATOM 0 HA PRO A 59 8.564 -6.276 4.043 1.00 51.11 H new ATOM 0 HB2 PRO A 59 10.636 -8.038 4.674 1.00 44.01 H new ATOM 0 HB3 PRO A 59 9.479 -7.554 5.898 1.00 44.01 H new ATOM 0 HG2 PRO A 59 9.512 -10.074 4.220 1.00 15.23 H new ATOM 0 HG3 PRO A 59 9.240 -9.912 5.944 1.00 15.23 H new ATOM 0 HD2 PRO A 59 7.151 -10.208 4.245 1.00 32.44 H new ATOM 0 HD3 PRO A 59 7.004 -9.187 5.662 1.00 32.44 H new ATOM 973 N ASN A 60 9.044 -8.334 1.634 1.00 73.23 N ATOM 974 CA ASN A 60 9.610 -8.558 0.294 1.00 31.41 C ATOM 975 C ASN A 60 8.729 -7.895 -0.790 1.00 53.54 C ATOM 976 O ASN A 60 8.868 -8.204 -1.981 1.00 3.02 O ATOM 977 CB ASN A 60 9.733 -10.077 0.029 1.00 4.00 C ATOM 978 CG ASN A 60 10.778 -10.765 0.911 1.00 11.51 C ATOM 979 OD1 ASN A 60 10.956 -10.436 2.086 1.00 11.24 O ATOM 980 ND2 ASN A 60 11.501 -11.698 0.338 1.00 24.22 N ATOM 0 H ASN A 60 8.311 -9.001 1.874 1.00 73.23 H new ATOM 0 HA ASN A 60 10.600 -8.104 0.251 1.00 31.41 H new ATOM 0 HB2 ASN A 60 8.763 -10.547 0.194 1.00 4.00 H new ATOM 0 HB3 ASN A 60 9.991 -10.236 -1.018 1.00 4.00 H new ATOM 0 HD21 ASN A 60 12.233 -12.172 0.866 1.00 24.22 H new ATOM 0 HD22 ASN A 60 11.331 -11.949 -0.636 1.00 24.22 H new ATOM 987 N ALA A 61 7.814 -7.005 -0.354 1.00 63.34 N ATOM 988 CA ALA A 61 6.898 -6.262 -1.232 1.00 31.14 C ATOM 989 C ALA A 61 7.647 -5.489 -2.329 1.00 12.11 C ATOM 990 O ALA A 61 8.510 -4.662 -2.020 1.00 41.30 O ATOM 991 CB ALA A 61 6.049 -5.293 -0.385 1.00 31.43 C ATOM 0 H ALA A 61 7.692 -6.782 0.634 1.00 63.34 H new ATOM 0 HA ALA A 61 6.252 -6.984 -1.731 1.00 31.14 H new ATOM 0 HB1 ALA A 61 5.369 -4.742 -1.035 1.00 31.43 H new ATOM 0 HB2 ALA A 61 5.472 -5.859 0.347 1.00 31.43 H new ATOM 0 HB3 ALA A 61 6.704 -4.593 0.133 1.00 31.43 H new ATOM 997 N THR A 62 7.328 -5.769 -3.610 1.00 25.20 N ATOM 998 CA THR A 62 7.872 -4.993 -4.728 1.00 34.33 C ATOM 999 C THR A 62 7.115 -3.662 -4.793 1.00 14.35 C ATOM 1000 O THR A 62 6.010 -3.593 -5.335 1.00 42.21 O ATOM 1001 CB THR A 62 7.734 -5.775 -6.080 1.00 43.25 C ATOM 1002 OG1 THR A 62 8.278 -7.095 -5.925 1.00 61.34 O ATOM 1003 CG2 THR A 62 8.450 -5.065 -7.252 1.00 10.22 C ATOM 0 H THR A 62 6.700 -6.523 -3.888 1.00 25.20 H new ATOM 0 HA THR A 62 8.936 -4.815 -4.570 1.00 34.33 H new ATOM 0 HB THR A 62 6.672 -5.819 -6.322 1.00 43.25 H new ATOM 0 HG1 THR A 62 8.191 -7.586 -6.769 1.00 61.34 H new ATOM 0 HG21 THR A 62 8.323 -5.649 -8.163 1.00 10.22 H new ATOM 0 HG22 THR A 62 8.020 -4.073 -7.394 1.00 10.22 H new ATOM 0 HG23 THR A 62 9.512 -4.971 -7.026 1.00 10.22 H new ATOM 1011 N ILE A 63 7.717 -2.620 -4.203 1.00 63.42 N ATOM 1012 CA ILE A 63 7.124 -1.285 -4.099 1.00 2.22 C ATOM 1013 C ILE A 63 7.855 -0.360 -5.070 1.00 62.22 C ATOM 1014 O ILE A 63 9.089 -0.322 -5.083 1.00 2.14 O ATOM 1015 CB ILE A 63 7.256 -0.727 -2.622 1.00 63.44 C ATOM 1016 CG1 ILE A 63 6.676 -1.761 -1.603 1.00 10.43 C ATOM 1017 CG2 ILE A 63 6.577 0.665 -2.474 1.00 72.45 C ATOM 1018 CD1 ILE A 63 6.989 -1.481 -0.148 1.00 23.33 C ATOM 0 H ILE A 63 8.643 -2.685 -3.779 1.00 63.42 H new ATOM 0 HA ILE A 63 6.064 -1.336 -4.346 1.00 2.22 H new ATOM 0 HB ILE A 63 8.314 -0.586 -2.402 1.00 63.44 H new ATOM 0 HG12 ILE A 63 5.593 -1.798 -1.724 1.00 10.43 H new ATOM 0 HG13 ILE A 63 7.059 -2.750 -1.856 1.00 10.43 H new ATOM 0 HG21 ILE A 63 6.687 1.016 -1.448 1.00 72.45 H new ATOM 0 HG22 ILE A 63 7.050 1.374 -3.153 1.00 72.45 H new ATOM 0 HG23 ILE A 63 5.518 0.581 -2.717 1.00 72.45 H new ATOM 0 HD11 ILE A 63 6.542 -2.255 0.476 1.00 23.33 H new ATOM 0 HD12 ILE A 63 8.069 -1.476 -0.003 1.00 23.33 H new ATOM 0 HD13 ILE A 63 6.581 -0.510 0.131 1.00 23.33 H new ATOM 1030 N ARG A 64 7.090 0.370 -5.883 1.00 34.40 N ATOM 1031 CA ARG A 64 7.623 1.353 -6.831 1.00 34.41 C ATOM 1032 C ARG A 64 6.959 2.699 -6.541 1.00 4.43 C ATOM 1033 O ARG A 64 5.756 2.765 -6.282 1.00 21.40 O ATOM 1034 CB ARG A 64 7.427 0.893 -8.307 1.00 54.35 C ATOM 1035 CG ARG A 64 8.154 -0.438 -8.644 1.00 10.34 C ATOM 1036 CD ARG A 64 8.550 -0.571 -10.125 1.00 4.30 C ATOM 1037 NE ARG A 64 7.394 -0.605 -11.044 1.00 11.04 N ATOM 1038 CZ ARG A 64 6.948 -1.700 -11.685 1.00 52.14 C ATOM 1039 NH1 ARG A 64 7.532 -2.881 -11.520 1.00 31.12 N ATOM 1040 NH2 ARG A 64 5.941 -1.592 -12.533 1.00 22.51 N ATOM 0 H ARG A 64 6.073 0.296 -5.903 1.00 34.40 H new ATOM 0 HA ARG A 64 8.701 1.452 -6.702 1.00 34.41 H new ATOM 0 HB2 ARG A 64 6.361 0.775 -8.504 1.00 54.35 H new ATOM 0 HB3 ARG A 64 7.790 1.675 -8.974 1.00 54.35 H new ATOM 0 HG2 ARG A 64 9.051 -0.517 -8.029 1.00 10.34 H new ATOM 0 HG3 ARG A 64 7.507 -1.273 -8.374 1.00 10.34 H new ATOM 0 HD2 ARG A 64 9.195 0.264 -10.397 1.00 4.30 H new ATOM 0 HD3 ARG A 64 9.135 -1.481 -10.256 1.00 4.30 H new ATOM 0 HE ARG A 64 6.895 0.270 -11.205 1.00 11.04 H new ATOM 0 HH11 ARG A 64 8.335 -2.970 -10.897 1.00 31.12 H new ATOM 0 HH12 ARG A 64 7.178 -3.699 -12.016 1.00 31.12 H new ATOM 0 HH21 ARG A 64 5.508 -0.683 -12.697 1.00 22.51 H new ATOM 0 HH22 ARG A 64 5.596 -2.417 -13.023 1.00 22.51 H new ATOM 1054 N LYS A 65 7.775 3.753 -6.547 1.00 21.32 N ATOM 1055 CA LYS A 65 7.392 5.095 -6.103 1.00 22.15 C ATOM 1056 C LYS A 65 7.558 6.076 -7.274 1.00 73.55 C ATOM 1057 O LYS A 65 8.687 6.390 -7.665 1.00 41.41 O ATOM 1058 CB LYS A 65 8.302 5.493 -4.901 1.00 12.21 C ATOM 1059 CG LYS A 65 8.194 4.552 -3.665 1.00 21.23 C ATOM 1060 CD LYS A 65 9.449 4.570 -2.757 1.00 53.44 C ATOM 1061 CE LYS A 65 9.788 5.958 -2.187 1.00 20.23 C ATOM 1062 NZ LYS A 65 8.707 6.499 -1.316 1.00 60.34 N ATOM 0 H LYS A 65 8.742 3.697 -6.867 1.00 21.32 H new ATOM 0 HA LYS A 65 6.351 5.120 -5.781 1.00 22.15 H new ATOM 0 HB2 LYS A 65 9.339 5.511 -5.238 1.00 12.21 H new ATOM 0 HB3 LYS A 65 8.050 6.507 -4.592 1.00 12.21 H new ATOM 0 HG2 LYS A 65 7.325 4.841 -3.074 1.00 21.23 H new ATOM 0 HG3 LYS A 65 8.020 3.533 -4.010 1.00 21.23 H new ATOM 0 HD2 LYS A 65 9.297 3.876 -1.930 1.00 53.44 H new ATOM 0 HD3 LYS A 65 10.303 4.204 -3.327 1.00 53.44 H new ATOM 0 HE2 LYS A 65 10.714 5.896 -1.615 1.00 20.23 H new ATOM 0 HE3 LYS A 65 9.968 6.650 -3.009 1.00 20.23 H new ATOM 0 HZ1 LYS A 65 9.115 7.168 -0.632 1.00 60.34 H new ATOM 0 HZ2 LYS A 65 8.002 6.990 -1.902 1.00 60.34 H new ATOM 0 HZ3 LYS A 65 8.249 5.717 -0.805 1.00 60.34 H new