USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 801 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 Single : A 9 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.025) USER MOD Single : A 13 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 SER OG : rot -67:sc= -3.84! USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : A 33 ASN : amide:sc= -0.083 X(o=-0.083,f=-0.083) USER MOD Single : A 41 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.5) USER MOD Single : A 55 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.633) USER MOD Single : A 63 LYS NZ :NH3+ -124:sc= -0.872 (180deg=-7.24!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 94 SER OG : rot 180:sc= 0.395 USER MOD Single : A 99 HIS : no HD1:sc= -0.573 X(o=-0.57,f=-0.91) USER MOD Single : A 106 HIS : no HD1:sc= -0.0743 X(o=-0.074,f=-0.35) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.105 K(o=-0.11,f=-2!) USER MOD Single : A 124 ASN : amide:sc= -0.0136 K(o=-0.014,f=-1.4!) USER MOD Single : A 125 GLN : amide:sc= -2.69 K(o=-2.7,f=-4.1!) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.193 K(o=-0.19,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 94 N HIS A 9 -14.181 2.139 -3.382 1.00 22.41 N ATOM 95 CA HIS A 9 -15.277 2.711 -4.155 1.00 40.14 C ATOM 96 C HIS A 9 -16.551 2.790 -3.319 1.00 0.44 C ATOM 97 O HIS A 9 -16.693 2.083 -2.320 1.00 31.34 O ATOM 98 CB HIS A 9 -15.529 1.880 -5.414 1.00 13.31 C ATOM 99 CG HIS A 9 -14.770 2.361 -6.612 1.00 14.24 C ATOM 100 ND1 HIS A 9 -14.173 1.509 -7.517 1.00 60.14 N ATOM 101 CD2 HIS A 9 -14.514 3.615 -7.052 1.00 65.44 C ATOM 102 CE1 HIS A 9 -13.581 2.218 -8.461 1.00 42.51 C ATOM 103 NE2 HIS A 9 -13.773 3.499 -8.203 1.00 14.34 N ATOM 0 HA HIS A 9 -14.993 3.722 -4.447 1.00 40.14 H new ATOM 0 HB2 HIS A 9 -15.258 0.843 -5.215 1.00 13.31 H new ATOM 0 HB3 HIS A 9 -16.595 1.893 -5.640 1.00 13.31 H new ATOM 0 HD2 HIS A 9 -14.833 4.535 -6.585 1.00 65.44 H new ATOM 0 HE1 HIS A 9 -13.033 1.818 -9.301 1.00 42.51 H new ATOM 0 HE2 HIS A 9 -13.427 4.276 -8.767 1.00 14.34 H new ATOM 111 N ILE A 10 -17.473 3.652 -3.733 1.00 62.41 N ATOM 112 CA ILE A 10 -18.733 3.822 -3.023 1.00 5.23 C ATOM 113 C ILE A 10 -19.907 3.325 -3.860 1.00 41.15 C ATOM 114 O ILE A 10 -19.925 3.488 -5.080 1.00 13.04 O ATOM 115 CB ILE A 10 -18.973 5.295 -2.645 1.00 51.44 C ATOM 116 CG1 ILE A 10 -17.850 5.801 -1.737 1.00 72.52 C ATOM 117 CG2 ILE A 10 -20.324 5.455 -1.965 1.00 54.40 C ATOM 118 CD1 ILE A 10 -17.991 7.258 -1.357 1.00 33.02 C ATOM 0 H ILE A 10 -17.370 4.244 -4.557 1.00 62.41 H new ATOM 0 HA ILE A 10 -18.663 3.229 -2.111 1.00 5.23 H new ATOM 0 HB ILE A 10 -18.975 5.892 -3.557 1.00 51.44 H new ATOM 0 HG12 ILE A 10 -17.828 5.198 -0.829 1.00 72.52 H new ATOM 0 HG13 ILE A 10 -16.894 5.656 -2.240 1.00 72.52 H new ATOM 0 HG21 ILE A 10 -20.478 6.502 -1.704 1.00 54.40 H new ATOM 0 HG22 ILE A 10 -21.113 5.130 -2.643 1.00 54.40 H new ATOM 0 HG23 ILE A 10 -20.350 4.848 -1.060 1.00 54.40 H new ATOM 0 HD11 ILE A 10 -17.161 7.548 -0.713 1.00 33.02 H new ATOM 0 HD12 ILE A 10 -17.983 7.871 -2.258 1.00 33.02 H new ATOM 0 HD13 ILE A 10 -18.931 7.406 -0.826 1.00 33.02 H new ATOM 130 N GLU A 11 -20.888 2.722 -3.195 1.00 14.33 N ATOM 131 CA GLU A 11 -22.067 2.204 -3.879 1.00 21.25 C ATOM 132 C GLU A 11 -23.132 3.287 -4.026 1.00 42.40 C ATOM 133 O GLU A 11 -23.049 4.340 -3.396 1.00 51.11 O ATOM 134 CB GLU A 11 -22.643 1.009 -3.115 1.00 50.43 C ATOM 135 CG GLU A 11 -22.317 -0.333 -3.750 1.00 44.11 C ATOM 136 CD GLU A 11 -23.064 -0.560 -5.050 1.00 11.42 C ATOM 137 OE1 GLU A 11 -24.245 -0.964 -4.993 1.00 55.02 O ATOM 138 OE2 GLU A 11 -22.469 -0.333 -6.124 1.00 31.51 O1- ATOM 0 H GLU A 11 -20.889 2.580 -2.185 1.00 14.33 H new ATOM 0 HA GLU A 11 -21.764 1.879 -4.874 1.00 21.25 H new ATOM 0 HB2 GLU A 11 -22.260 1.022 -2.095 1.00 50.43 H new ATOM 0 HB3 GLU A 11 -23.726 1.117 -3.050 1.00 50.43 H new ATOM 0 HG2 GLU A 11 -21.245 -0.392 -3.936 1.00 44.11 H new ATOM 0 HG3 GLU A 11 -22.563 -1.131 -3.050 1.00 44.11 H new ATOM 145 N GLU A 12 -24.128 3.020 -4.864 1.00 22.22 N ATOM 146 CA GLU A 12 -25.207 3.972 -5.096 1.00 35.34 C ATOM 147 C GLU A 12 -26.544 3.253 -5.251 1.00 30.44 C ATOM 148 O GLU A 12 -26.770 2.545 -6.233 1.00 41.32 O ATOM 149 CB GLU A 12 -24.918 4.812 -6.342 1.00 64.20 C ATOM 150 CG GLU A 12 -26.010 5.818 -6.665 1.00 75.35 C ATOM 151 CD GLU A 12 -26.066 6.958 -5.666 1.00 25.02 C ATOM 152 OE1 GLU A 12 -25.204 7.858 -5.744 1.00 51.50 O ATOM 153 OE2 GLU A 12 -26.972 6.950 -4.806 1.00 22.11 O1- ATOM 0 H GLU A 12 -24.210 2.152 -5.394 1.00 22.22 H new ATOM 0 HA GLU A 12 -25.268 4.631 -4.230 1.00 35.34 H new ATOM 0 HB2 GLU A 12 -23.977 5.343 -6.201 1.00 64.20 H new ATOM 0 HB3 GLU A 12 -24.784 4.147 -7.195 1.00 64.20 H new ATOM 0 HG2 GLU A 12 -25.843 6.222 -7.663 1.00 75.35 H new ATOM 0 HG3 GLU A 12 -26.974 5.309 -6.685 1.00 75.35 H new ATOM 160 N TYR A 13 -27.426 3.439 -4.277 1.00 22.50 N ATOM 161 CA TYR A 13 -28.740 2.806 -4.303 1.00 61.54 C ATOM 162 C TYR A 13 -29.845 3.850 -4.439 1.00 2.15 C ATOM 163 O TYR A 13 -29.725 4.965 -3.931 1.00 12.31 O ATOM 164 CB TYR A 13 -28.956 1.979 -3.034 1.00 3.33 C ATOM 165 CG TYR A 13 -28.127 0.716 -2.986 1.00 52.40 C ATOM 166 CD1 TYR A 13 -26.816 0.739 -2.527 1.00 2.40 C ATOM 167 CD2 TYR A 13 -28.655 -0.501 -3.399 1.00 44.14 C ATOM 168 CE1 TYR A 13 -26.054 -0.412 -2.482 1.00 40.42 C ATOM 169 CE2 TYR A 13 -27.902 -1.658 -3.356 1.00 2.10 C ATOM 170 CZ TYR A 13 -26.601 -1.609 -2.897 1.00 52.02 C ATOM 171 OH TYR A 13 -25.848 -2.759 -2.854 1.00 41.41 O ATOM 0 H TYR A 13 -27.256 4.023 -3.458 1.00 22.50 H new ATOM 0 HA TYR A 13 -28.781 2.146 -5.170 1.00 61.54 H new ATOM 0 HB2 TYR A 13 -28.718 2.593 -2.165 1.00 3.33 H new ATOM 0 HB3 TYR A 13 -30.011 1.714 -2.958 1.00 3.33 H new ATOM 0 HD1 TYR A 13 -26.385 1.674 -2.200 1.00 2.40 H new ATOM 0 HD2 TYR A 13 -29.672 -0.543 -3.760 1.00 44.14 H new ATOM 0 HE1 TYR A 13 -25.036 -0.375 -2.124 1.00 40.42 H new ATOM 0 HE2 TYR A 13 -28.329 -2.596 -3.680 1.00 2.10 H new ATOM 0 HH TYR A 13 -25.199 -2.698 -2.122 1.00 41.41 H new ATOM 181 N GLU A 14 -30.920 3.477 -5.126 1.00 51.13 N ATOM 182 CA GLU A 14 -32.046 4.380 -5.329 1.00 44.05 C ATOM 183 C GLU A 14 -33.301 3.847 -4.642 1.00 34.43 C ATOM 184 O GLU A 14 -33.606 2.657 -4.720 1.00 43.23 O ATOM 185 CB GLU A 14 -32.311 4.573 -6.822 1.00 41.01 C ATOM 186 CG GLU A 14 -32.730 5.987 -7.189 1.00 63.43 C ATOM 187 CD GLU A 14 -32.621 6.261 -8.677 1.00 53.14 C ATOM 188 OE1 GLU A 14 -32.818 5.315 -9.470 1.00 2.11 O ATOM 189 OE2 GLU A 14 -32.339 7.418 -9.049 1.00 40.11 O1- ATOM 0 H GLU A 14 -31.035 2.557 -5.551 1.00 51.13 H new ATOM 0 HA GLU A 14 -31.791 5.343 -4.886 1.00 44.05 H new ATOM 0 HB2 GLU A 14 -31.410 4.314 -7.379 1.00 41.01 H new ATOM 0 HB3 GLU A 14 -33.090 3.879 -7.137 1.00 41.01 H new ATOM 0 HG2 GLU A 14 -33.758 6.152 -6.867 1.00 63.43 H new ATOM 0 HG3 GLU A 14 -32.108 6.699 -6.646 1.00 63.43 H new ATOM 196 N SER A 15 -34.025 4.737 -3.970 1.00 45.22 N ATOM 197 CA SER A 15 -35.244 4.357 -3.268 1.00 21.12 C ATOM 198 C SER A 15 -36.260 5.494 -3.289 1.00 40.40 C ATOM 199 O SER A 15 -36.071 6.522 -2.639 1.00 61.11 O ATOM 200 CB SER A 15 -34.924 3.970 -1.822 1.00 50.55 C ATOM 201 OG SER A 15 -35.021 2.569 -1.636 1.00 60.35 O ATOM 0 H SER A 15 -33.788 5.726 -3.897 1.00 45.22 H new ATOM 0 HA SER A 15 -35.677 3.498 -3.780 1.00 21.12 H new ATOM 0 HB2 SER A 15 -33.919 4.305 -1.566 1.00 50.55 H new ATOM 0 HB3 SER A 15 -35.611 4.478 -1.146 1.00 50.55 H new ATOM 0 HG SER A 15 -35.955 2.290 -1.734 1.00 60.35 H new ATOM 207 N GLU A 16 -37.340 5.300 -4.040 1.00 11.34 N ATOM 208 CA GLU A 16 -38.387 6.311 -4.147 1.00 40.23 C ATOM 209 C GLU A 16 -39.764 5.692 -3.926 1.00 3.23 C ATOM 210 O GLU A 16 -40.030 4.572 -4.362 1.00 64.35 O ATOM 211 CB GLU A 16 -38.334 6.990 -5.517 1.00 4.30 C ATOM 212 CG GLU A 16 -38.856 6.120 -6.648 1.00 43.20 C ATOM 213 CD GLU A 16 -38.237 6.470 -7.986 1.00 63.23 C ATOM 214 OE1 GLU A 16 -37.775 7.620 -8.144 1.00 62.45 O ATOM 215 OE2 GLU A 16 -38.213 5.596 -8.878 1.00 71.20 O1- ATOM 0 H GLU A 16 -37.513 4.454 -4.583 1.00 11.34 H new ATOM 0 HA GLU A 16 -38.215 7.059 -3.373 1.00 40.23 H new ATOM 0 HB2 GLU A 16 -38.916 7.911 -5.480 1.00 4.30 H new ATOM 0 HB3 GLU A 16 -37.304 7.273 -5.733 1.00 4.30 H new ATOM 0 HG2 GLU A 16 -38.652 5.074 -6.420 1.00 43.20 H new ATOM 0 HG3 GLU A 16 -39.939 6.227 -6.714 1.00 43.20 H new ATOM 222 N ALA A 17 -40.636 6.430 -3.248 1.00 45.31 N ATOM 223 CA ALA A 17 -41.986 5.956 -2.970 1.00 31.31 C ATOM 224 C ALA A 17 -42.877 6.084 -4.202 1.00 53.14 C ATOM 225 O ALA A 17 -43.391 7.164 -4.497 1.00 52.54 O ATOM 226 CB ALA A 17 -42.585 6.722 -1.800 1.00 33.40 C ATOM 0 H ALA A 17 -40.432 7.359 -2.881 1.00 45.31 H new ATOM 0 HA ALA A 17 -41.926 4.900 -2.705 1.00 31.31 H new ATOM 0 HB1 ALA A 17 -43.593 6.357 -1.604 1.00 33.40 H new ATOM 0 HB2 ALA A 17 -41.967 6.575 -0.914 1.00 33.40 H new ATOM 0 HB3 ALA A 17 -42.624 7.784 -2.042 1.00 33.40 H new ATOM 232 N ARG A 18 -43.054 4.978 -4.916 1.00 33.11 N ATOM 233 CA ARG A 18 -43.882 4.969 -6.117 1.00 74.51 C ATOM 234 C ARG A 18 -45.357 4.814 -5.759 1.00 1.22 C ATOM 235 O ARG A 18 -45.728 3.941 -4.975 1.00 0.43 O ATOM 236 CB ARG A 18 -43.451 3.836 -7.050 1.00 24.01 C ATOM 237 CG ARG A 18 -41.954 3.800 -7.313 1.00 71.34 C ATOM 238 CD ARG A 18 -41.638 3.126 -8.639 1.00 21.32 C ATOM 239 NE ARG A 18 -41.692 1.670 -8.541 1.00 34.15 N ATOM 240 CZ ARG A 18 -41.642 0.859 -9.592 1.00 3.12 C ATOM 241 NH1 ARG A 18 -41.535 1.361 -10.814 1.00 25.32 N1+ ATOM 242 NH2 ARG A 18 -41.697 -0.455 -9.420 1.00 33.24 N ATOM 0 H ARG A 18 -42.636 4.077 -4.685 1.00 33.11 H new ATOM 0 HA ARG A 18 -43.748 5.922 -6.628 1.00 74.51 H new ATOM 0 HB2 ARG A 18 -43.758 2.884 -6.618 1.00 24.01 H new ATOM 0 HB3 ARG A 18 -43.976 3.939 -8.000 1.00 24.01 H new ATOM 0 HG2 ARG A 18 -41.560 4.816 -7.317 1.00 71.34 H new ATOM 0 HG3 ARG A 18 -41.454 3.267 -6.504 1.00 71.34 H new ATOM 0 HD2 ARG A 18 -42.346 3.465 -9.395 1.00 21.32 H new ATOM 0 HD3 ARG A 18 -40.646 3.430 -8.973 1.00 21.32 H new ATOM 0 HE ARG A 18 -41.773 1.252 -7.614 1.00 34.15 H new ATOM 0 HH11 ARG A 18 -41.491 2.371 -10.948 1.00 25.32 H new ATOM 0 HH12 ARG A 18 -41.497 0.737 -11.620 1.00 25.32 H new ATOM 0 HH21 ARG A 18 -41.778 -0.843 -8.480 1.00 33.24 H new ATOM 0 HH22 ARG A 18 -41.659 -1.077 -10.227 1.00 33.24 H new ATOM 256 N ASP A 19 -46.194 5.667 -6.340 1.00 32.20 N ATOM 257 CA ASP A 19 -47.628 5.625 -6.084 1.00 41.34 C ATOM 258 C ASP A 19 -48.230 4.312 -6.572 1.00 44.41 C ATOM 259 O ASP A 19 -47.941 3.858 -7.681 1.00 5.35 O ATOM 260 CB ASP A 19 -48.325 6.804 -6.765 1.00 22.55 C ATOM 261 CG ASP A 19 -48.258 6.720 -8.278 1.00 73.34 C ATOM 262 OD1 ASP A 19 -47.179 6.382 -8.806 1.00 3.01 O ATOM 263 OD2 ASP A 19 -49.286 6.992 -8.932 1.00 24.34 O1- ATOM 0 H ASP A 19 -45.903 6.396 -6.992 1.00 32.20 H new ATOM 0 HA ASP A 19 -47.781 5.695 -5.007 1.00 41.34 H new ATOM 0 HB2 ASP A 19 -49.368 6.836 -6.451 1.00 22.55 H new ATOM 0 HB3 ASP A 19 -47.864 7.735 -6.435 1.00 22.55 H new ATOM 268 N THR A 20 -49.067 3.703 -5.738 1.00 61.12 N ATOM 269 CA THR A 20 -49.708 2.440 -6.085 1.00 12.12 C ATOM 270 C THR A 20 -50.940 2.668 -6.952 1.00 54.32 C ATOM 271 O THR A 20 -51.417 3.795 -7.089 1.00 54.42 O ATOM 272 CB THR A 20 -50.120 1.655 -4.825 1.00 40.23 C ATOM 273 OG1 THR A 20 -50.667 0.385 -5.196 1.00 70.42 O ATOM 274 CG2 THR A 20 -51.141 2.435 -4.011 1.00 72.02 C ATOM 0 H THR A 20 -49.317 4.064 -4.817 1.00 61.12 H new ATOM 0 HA THR A 20 -48.976 1.858 -6.645 1.00 12.12 H new ATOM 0 HB THR A 20 -49.231 1.502 -4.212 1.00 40.23 H new ATOM 0 HG1 THR A 20 -50.925 -0.108 -4.389 1.00 70.42 H new ATOM 0 HG21 THR A 20 -51.417 1.861 -3.127 1.00 72.02 H new ATOM 0 HG22 THR A 20 -50.711 3.389 -3.705 1.00 72.02 H new ATOM 0 HG23 THR A 20 -52.029 2.616 -4.617 1.00 72.02 H new ATOM 282 N LYS A 21 -51.452 1.592 -7.539 1.00 3.44 N ATOM 283 CA LYS A 21 -52.632 1.673 -8.393 1.00 22.44 C ATOM 284 C LYS A 21 -53.908 1.516 -7.574 1.00 14.33 C ATOM 285 O LYS A 21 -55.007 1.442 -8.127 1.00 74.45 O ATOM 286 CB LYS A 21 -52.574 0.597 -9.481 1.00 24.43 C ATOM 287 CG LYS A 21 -52.622 -0.820 -8.937 1.00 51.34 C ATOM 288 CD LYS A 21 -51.227 -1.401 -8.772 1.00 33.02 C ATOM 289 CE LYS A 21 -50.975 -1.846 -7.340 1.00 63.52 C ATOM 290 NZ LYS A 21 -51.232 -3.301 -7.157 1.00 64.01 N1+ ATOM 0 H LYS A 21 -51.068 0.652 -7.439 1.00 3.44 H new ATOM 0 HA LYS A 21 -52.643 2.656 -8.864 1.00 22.44 H new ATOM 0 HB2 LYS A 21 -53.407 0.742 -10.168 1.00 24.43 H new ATOM 0 HB3 LYS A 21 -51.658 0.725 -10.058 1.00 24.43 H new ATOM 0 HG2 LYS A 21 -53.135 -0.824 -7.975 1.00 51.34 H new ATOM 0 HG3 LYS A 21 -53.202 -1.450 -9.611 1.00 51.34 H new ATOM 0 HD2 LYS A 21 -51.103 -2.249 -9.445 1.00 33.02 H new ATOM 0 HD3 LYS A 21 -50.485 -0.656 -9.059 1.00 33.02 H new ATOM 0 HE2 LYS A 21 -49.944 -1.622 -7.067 1.00 63.52 H new ATOM 0 HE3 LYS A 21 -51.614 -1.277 -6.665 1.00 63.52 H new ATOM 0 HZ1 LYS A 21 -51.049 -3.564 -6.168 1.00 64.01 H new ATOM 0 HZ2 LYS A 21 -52.223 -3.511 -7.393 1.00 64.01 H new ATOM 0 HZ3 LYS A 21 -50.604 -3.846 -7.782 1.00 64.01 H new ATOM 304 N LEU A 22 -53.758 1.466 -6.256 1.00 11.11 N ATOM 305 CA LEU A 22 -54.899 1.319 -5.360 1.00 62.04 C ATOM 306 C LEU A 22 -55.275 2.657 -4.732 1.00 2.31 C ATOM 307 O LEU A 22 -56.218 2.743 -3.946 1.00 51.15 O ATOM 308 CB LEU A 22 -54.586 0.298 -4.264 1.00 32.22 C ATOM 309 CG LEU A 22 -55.651 -0.771 -4.017 1.00 53.13 C ATOM 310 CD1 LEU A 22 -57.006 -0.126 -3.771 1.00 24.41 C ATOM 311 CD2 LEU A 22 -55.721 -1.735 -5.192 1.00 34.53 C ATOM 0 H LEU A 22 -52.856 1.525 -5.783 1.00 11.11 H new ATOM 0 HA LEU A 22 -55.746 0.964 -5.947 1.00 62.04 H new ATOM 0 HB2 LEU A 22 -53.651 -0.201 -4.517 1.00 32.22 H new ATOM 0 HB3 LEU A 22 -54.417 0.836 -3.331 1.00 32.22 H new ATOM 0 HG LEU A 22 -55.374 -1.336 -3.127 1.00 53.13 H new ATOM 0 HD11 LEU A 22 -57.752 -0.902 -3.597 1.00 24.41 H new ATOM 0 HD12 LEU A 22 -56.947 0.523 -2.897 1.00 24.41 H new ATOM 0 HD13 LEU A 22 -57.292 0.464 -4.642 1.00 24.41 H new ATOM 0 HD21 LEU A 22 -56.484 -2.489 -4.999 1.00 34.53 H new ATOM 0 HD22 LEU A 22 -55.975 -1.186 -6.099 1.00 34.53 H new ATOM 0 HD23 LEU A 22 -54.754 -2.222 -5.321 1.00 34.53 H new ATOM 323 N GLY A 23 -54.532 3.700 -5.085 1.00 52.15 N ATOM 324 CA GLY A 23 -54.803 5.021 -4.549 1.00 43.34 C ATOM 325 C GLY A 23 -54.078 5.276 -3.243 1.00 14.33 C ATOM 326 O GLY A 23 -54.660 5.199 -2.160 1.00 42.31 O ATOM 0 H GLY A 23 -53.746 3.654 -5.733 1.00 52.15 H new ATOM 0 HA2 GLY A 23 -54.506 5.774 -5.279 1.00 43.34 H new ATOM 0 HA3 GLY A 23 -55.876 5.134 -4.393 1.00 43.34 H new ATOM 330 N PRO A 24 -52.777 5.588 -3.334 1.00 42.45 N ATOM 331 CA PRO A 24 -51.943 5.861 -2.159 1.00 55.11 C ATOM 332 C PRO A 24 -52.311 7.175 -1.480 1.00 31.25 C ATOM 333 O PRO A 24 -53.118 7.947 -1.998 1.00 23.44 O ATOM 334 CB PRO A 24 -50.528 5.935 -2.738 1.00 4.11 C ATOM 335 CG PRO A 24 -50.721 6.326 -4.162 1.00 61.03 C ATOM 336 CD PRO A 24 -52.019 5.698 -4.592 1.00 45.53 C ATOM 0 HA PRO A 24 -52.063 5.100 -1.388 1.00 55.11 H new ATOM 0 HB2 PRO A 24 -49.920 6.667 -2.206 1.00 4.11 H new ATOM 0 HB3 PRO A 24 -50.016 4.976 -2.657 1.00 4.11 H new ATOM 0 HG2 PRO A 24 -50.758 7.410 -4.267 1.00 61.03 H new ATOM 0 HG3 PRO A 24 -49.894 5.974 -4.779 1.00 61.03 H new ATOM 0 HD2 PRO A 24 -52.541 6.315 -5.323 1.00 45.53 H new ATOM 0 HD3 PRO A 24 -51.861 4.723 -5.053 1.00 45.53 H new ATOM 344 N GLU A 25 -51.714 7.424 -0.319 1.00 30.43 N ATOM 345 CA GLU A 25 -51.980 8.646 0.430 1.00 61.13 C ATOM 346 C GLU A 25 -50.692 9.215 1.019 1.00 2.52 C ATOM 347 O GLU A 25 -50.436 10.415 0.933 1.00 75.32 O ATOM 348 CB GLU A 25 -52.989 8.377 1.548 1.00 32.13 C ATOM 349 CG GLU A 25 -53.299 9.598 2.396 1.00 54.54 C ATOM 350 CD GLU A 25 -54.429 9.356 3.378 1.00 55.02 C ATOM 351 OE1 GLU A 25 -55.425 8.711 2.990 1.00 54.21 O ATOM 352 OE2 GLU A 25 -54.315 9.810 4.536 1.00 12.11 O1- ATOM 0 H GLU A 25 -51.043 6.796 0.123 1.00 30.43 H new ATOM 0 HA GLU A 25 -52.399 9.379 -0.259 1.00 61.13 H new ATOM 0 HB2 GLU A 25 -53.915 8.006 1.108 1.00 32.13 H new ATOM 0 HB3 GLU A 25 -52.603 7.587 2.192 1.00 32.13 H new ATOM 0 HG2 GLU A 25 -52.404 9.892 2.944 1.00 54.54 H new ATOM 0 HG3 GLU A 25 -53.562 10.431 1.744 1.00 54.54 H new ATOM 359 N GLU A 26 -49.887 8.344 1.618 1.00 43.40 N ATOM 360 CA GLU A 26 -48.626 8.758 2.221 1.00 42.11 C ATOM 361 C GLU A 26 -47.685 7.569 2.391 1.00 25.51 C ATOM 362 O GLU A 26 -48.125 6.420 2.444 1.00 40.12 O ATOM 363 CB GLU A 26 -48.879 9.420 3.578 1.00 74.23 C ATOM 364 CG GLU A 26 -49.362 8.453 4.646 1.00 70.14 C ATOM 365 CD GLU A 26 -50.312 9.102 5.634 1.00 31.34 C ATOM 366 OE1 GLU A 26 -51.503 9.261 5.295 1.00 24.24 O ATOM 367 OE2 GLU A 26 -49.864 9.449 6.747 1.00 61.41 O1- ATOM 0 H GLU A 26 -50.086 7.347 1.699 1.00 43.40 H new ATOM 0 HA GLU A 26 -48.154 9.479 1.554 1.00 42.11 H new ATOM 0 HB2 GLU A 26 -47.959 9.894 3.919 1.00 74.23 H new ATOM 0 HB3 GLU A 26 -49.619 10.211 3.455 1.00 74.23 H new ATOM 0 HG2 GLU A 26 -49.861 7.610 4.168 1.00 70.14 H new ATOM 0 HG3 GLU A 26 -48.503 8.052 5.184 1.00 70.14 H new ATOM 374 N ILE A 27 -46.391 7.854 2.475 1.00 34.23 N ATOM 375 CA ILE A 27 -45.388 6.808 2.639 1.00 51.54 C ATOM 376 C ILE A 27 -45.347 6.307 4.078 1.00 3.43 C ATOM 377 O ILE A 27 -45.568 7.069 5.020 1.00 75.14 O ATOM 378 CB ILE A 27 -43.986 7.305 2.240 1.00 31.11 C ATOM 379 CG1 ILE A 27 -43.038 6.120 2.042 1.00 64.55 C ATOM 380 CG2 ILE A 27 -43.441 8.255 3.295 1.00 22.12 C ATOM 381 CD1 ILE A 27 -41.637 6.528 1.643 1.00 33.44 C ATOM 0 H ILE A 27 -46.011 8.800 2.432 1.00 34.23 H new ATOM 0 HA ILE A 27 -45.675 5.989 1.980 1.00 51.54 H new ATOM 0 HB ILE A 27 -44.063 7.846 1.297 1.00 31.11 H new ATOM 0 HG12 ILE A 27 -42.991 5.544 2.966 1.00 64.55 H new ATOM 0 HG13 ILE A 27 -43.448 5.461 1.277 1.00 64.55 H new ATOM 0 HG21 ILE A 27 -42.450 8.598 2.999 1.00 22.12 H new ATOM 0 HG22 ILE A 27 -44.107 9.112 3.392 1.00 22.12 H new ATOM 0 HG23 ILE A 27 -43.375 7.737 4.252 1.00 22.12 H new ATOM 0 HD11 ILE A 27 -41.020 5.638 1.520 1.00 33.44 H new ATOM 0 HD12 ILE A 27 -41.672 7.078 0.703 1.00 33.44 H new ATOM 0 HD13 ILE A 27 -41.208 7.162 2.419 1.00 33.44 H new ATOM 393 N THR A 28 -45.061 5.018 4.242 1.00 23.51 N ATOM 394 CA THR A 28 -44.991 4.415 5.567 1.00 45.35 C ATOM 395 C THR A 28 -44.067 3.202 5.568 1.00 32.33 C ATOM 396 O THR A 28 -43.500 2.839 4.538 1.00 33.43 O ATOM 397 CB THR A 28 -46.384 3.985 6.063 1.00 53.03 C ATOM 398 OG1 THR A 28 -46.327 3.652 7.455 1.00 4.11 O ATOM 399 CG2 THR A 28 -46.897 2.791 5.272 1.00 21.31 C ATOM 0 H THR A 28 -44.874 4.373 3.474 1.00 23.51 H new ATOM 0 HA THR A 28 -44.593 5.174 6.240 1.00 45.35 H new ATOM 0 HB THR A 28 -47.070 4.819 5.916 1.00 53.03 H new ATOM 0 HG1 THR A 28 -47.217 3.381 7.763 1.00 4.11 H new ATOM 0 HG21 THR A 28 -47.882 2.506 5.641 1.00 21.31 H new ATOM 0 HG22 THR A 28 -46.967 3.056 4.217 1.00 21.31 H new ATOM 0 HG23 THR A 28 -46.209 1.954 5.390 1.00 21.31 H new ATOM 407 N ARG A 29 -43.920 2.577 6.733 1.00 14.42 N ATOM 408 CA ARG A 29 -43.064 1.406 6.869 1.00 74.04 C ATOM 409 C ARG A 29 -43.858 0.208 7.383 1.00 61.04 C ATOM 410 O ARG A 29 -44.447 0.260 8.464 1.00 23.41 O ATOM 411 CB ARG A 29 -41.900 1.704 7.815 1.00 13.44 C ATOM 412 CG ARG A 29 -42.317 2.438 9.080 1.00 21.03 C ATOM 413 CD ARG A 29 -41.499 1.989 10.280 1.00 15.43 C ATOM 414 NE ARG A 29 -42.088 2.430 11.541 1.00 11.32 N ATOM 415 CZ ARG A 29 -43.121 1.827 12.120 1.00 74.13 C ATOM 416 NH1 ARG A 29 -43.675 0.763 11.553 1.00 53.55 N1+ ATOM 417 NH2 ARG A 29 -43.602 2.287 13.267 1.00 74.03 N ATOM 0 H ARG A 29 -44.383 2.863 7.596 1.00 14.42 H new ATOM 0 HA ARG A 29 -42.668 1.162 5.883 1.00 74.04 H new ATOM 0 HB2 ARG A 29 -41.418 0.766 8.091 1.00 13.44 H new ATOM 0 HB3 ARG A 29 -41.157 2.301 7.287 1.00 13.44 H new ATOM 0 HG2 ARG A 29 -42.195 3.512 8.936 1.00 21.03 H new ATOM 0 HG3 ARG A 29 -43.375 2.261 9.273 1.00 21.03 H new ATOM 0 HD2 ARG A 29 -41.419 0.902 10.278 1.00 15.43 H new ATOM 0 HD3 ARG A 29 -40.486 2.383 10.196 1.00 15.43 H new ATOM 0 HE ARG A 29 -41.685 3.245 12.003 1.00 11.32 H new ATOM 0 HH11 ARG A 29 -43.308 0.406 10.671 1.00 53.55 H new ATOM 0 HH12 ARG A 29 -44.468 0.302 11.999 1.00 53.55 H new ATOM 0 HH21 ARG A 29 -43.179 3.105 13.706 1.00 74.03 H new ATOM 0 HH22 ARG A 29 -44.395 1.823 13.710 1.00 74.03 H new ATOM 431 N ASP A 30 -43.872 -0.866 6.603 1.00 64.35 N ATOM 432 CA ASP A 30 -44.593 -2.076 6.980 1.00 0.23 C ATOM 433 C ASP A 30 -43.885 -3.318 6.448 1.00 34.02 C ATOM 434 O ASP A 30 -44.047 -3.686 5.284 1.00 14.01 O ATOM 435 CB ASP A 30 -46.028 -2.026 6.452 1.00 31.35 C ATOM 436 CG ASP A 30 -46.769 -3.331 6.662 1.00 31.41 C ATOM 437 OD1 ASP A 30 -46.607 -4.247 5.829 1.00 64.23 O ATOM 438 OD2 ASP A 30 -47.510 -3.437 7.662 1.00 50.33 O1- ATOM 0 H ASP A 30 -43.392 -0.924 5.705 1.00 64.35 H new ATOM 0 HA ASP A 30 -44.617 -2.131 8.068 1.00 0.23 H new ATOM 0 HB2 ASP A 30 -46.568 -1.221 6.951 1.00 31.35 H new ATOM 0 HB3 ASP A 30 -46.012 -1.788 5.388 1.00 31.35 H new ATOM 443 N ILE A 31 -43.101 -3.960 7.308 1.00 63.23 N ATOM 444 CA ILE A 31 -42.369 -5.161 6.924 1.00 25.31 C ATOM 445 C ILE A 31 -42.629 -6.300 7.905 1.00 64.24 C ATOM 446 O ILE A 31 -41.842 -6.560 8.814 1.00 20.01 O ATOM 447 CB ILE A 31 -40.854 -4.897 6.851 1.00 73.13 C ATOM 448 CG1 ILE A 31 -40.576 -3.599 6.089 1.00 24.14 C ATOM 449 CG2 ILE A 31 -40.144 -6.068 6.189 1.00 43.12 C ATOM 450 CD1 ILE A 31 -40.526 -2.376 6.977 1.00 71.21 C ATOM 0 H ILE A 31 -42.956 -3.669 8.275 1.00 63.23 H new ATOM 0 HA ILE A 31 -42.728 -5.447 5.935 1.00 25.31 H new ATOM 0 HB ILE A 31 -40.470 -4.790 7.865 1.00 73.13 H new ATOM 0 HG12 ILE A 31 -39.627 -3.693 5.561 1.00 24.14 H new ATOM 0 HG13 ILE A 31 -41.349 -3.458 5.333 1.00 24.14 H new ATOM 0 HG21 ILE A 31 -39.074 -5.867 6.145 1.00 43.12 H new ATOM 0 HG22 ILE A 31 -40.319 -6.974 6.769 1.00 43.12 H new ATOM 0 HG23 ILE A 31 -40.530 -6.203 5.179 1.00 43.12 H new ATOM 0 HD11 ILE A 31 -40.325 -1.493 6.370 1.00 71.21 H new ATOM 0 HD12 ILE A 31 -41.483 -2.256 7.486 1.00 71.21 H new ATOM 0 HD13 ILE A 31 -39.734 -2.495 7.716 1.00 71.21 H new ATOM 462 N PRO A 32 -43.759 -6.996 7.716 1.00 34.15 N ATOM 463 CA PRO A 32 -44.148 -8.121 8.573 1.00 63.53 C ATOM 464 C PRO A 32 -43.249 -9.337 8.377 1.00 74.13 C ATOM 465 O PRO A 32 -42.507 -9.421 7.399 1.00 52.54 O ATOM 466 CB PRO A 32 -45.577 -8.433 8.122 1.00 61.33 C ATOM 467 CG PRO A 32 -45.646 -7.943 6.717 1.00 72.25 C ATOM 468 CD PRO A 32 -44.744 -6.741 6.653 1.00 11.40 C ATOM 0 HA PRO A 32 -44.065 -7.875 9.632 1.00 63.53 H new ATOM 0 HB2 PRO A 32 -45.786 -9.501 8.179 1.00 61.33 H new ATOM 0 HB3 PRO A 32 -46.310 -7.930 8.753 1.00 61.33 H new ATOM 0 HG2 PRO A 32 -45.320 -8.713 6.018 1.00 72.25 H new ATOM 0 HG3 PRO A 32 -46.668 -7.679 6.446 1.00 72.25 H new ATOM 0 HD2 PRO A 32 -44.267 -6.648 5.677 1.00 11.40 H new ATOM 0 HD3 PRO A 32 -45.294 -5.816 6.828 1.00 11.40 H new ATOM 476 N ASN A 33 -43.322 -10.278 9.313 1.00 71.22 N ATOM 477 CA ASN A 33 -42.514 -11.491 9.242 1.00 2.45 C ATOM 478 C ASN A 33 -41.028 -11.161 9.355 1.00 2.05 C ATOM 479 O ASN A 33 -40.173 -11.993 9.053 1.00 32.14 O ATOM 480 CB ASN A 33 -42.785 -12.233 7.932 1.00 52.30 C ATOM 481 CG ASN A 33 -44.265 -12.319 7.612 1.00 14.10 C ATOM 482 OD1 ASN A 33 -45.025 -12.983 8.317 1.00 31.13 O ATOM 483 ND2 ASN A 33 -44.679 -11.648 6.545 1.00 31.33 N ATOM 0 H ASN A 33 -43.932 -10.224 10.129 1.00 71.22 H new ATOM 0 HA ASN A 33 -42.791 -12.132 10.079 1.00 2.45 H new ATOM 0 HB2 ASN A 33 -42.269 -11.726 7.117 1.00 52.30 H new ATOM 0 HB3 ASN A 33 -42.371 -13.239 7.995 1.00 52.30 H new ATOM 0 HD21 ASN A 33 -45.664 -11.669 6.280 1.00 31.33 H new ATOM 0 HD22 ASN A 33 -44.013 -11.111 5.990 1.00 31.33 H new ATOM 490 N VAL A 34 -40.729 -9.942 9.793 1.00 34.42 N ATOM 491 CA VAL A 34 -39.347 -9.504 9.948 1.00 3.55 C ATOM 492 C VAL A 34 -39.071 -9.055 11.379 1.00 63.25 C ATOM 493 O VAL A 34 -39.822 -8.265 11.949 1.00 72.34 O ATOM 494 CB VAL A 34 -39.015 -8.348 8.985 1.00 61.54 C ATOM 495 CG1 VAL A 34 -37.600 -7.843 9.227 1.00 74.44 C ATOM 496 CG2 VAL A 34 -39.192 -8.792 7.540 1.00 63.24 C ATOM 0 H VAL A 34 -41.425 -9.241 10.047 1.00 34.42 H new ATOM 0 HA VAL A 34 -38.714 -10.359 9.710 1.00 3.55 H new ATOM 0 HB VAL A 34 -39.706 -7.527 9.176 1.00 61.54 H new ATOM 0 HG11 VAL A 34 -37.382 -7.027 8.538 1.00 74.44 H new ATOM 0 HG12 VAL A 34 -37.512 -7.485 10.253 1.00 74.44 H new ATOM 0 HG13 VAL A 34 -36.891 -8.655 9.063 1.00 74.44 H new ATOM 0 HG21 VAL A 34 -38.953 -7.964 6.873 1.00 63.24 H new ATOM 0 HG22 VAL A 34 -38.525 -9.629 7.332 1.00 63.24 H new ATOM 0 HG23 VAL A 34 -40.224 -9.102 7.379 1.00 63.24 H new ATOM 506 N GLY A 35 -37.986 -9.563 11.954 1.00 71.54 N ATOM 507 CA GLY A 35 -37.628 -9.203 13.314 1.00 61.21 C ATOM 508 C GLY A 35 -37.353 -7.721 13.466 1.00 63.23 C ATOM 509 O GLY A 35 -36.853 -7.078 12.544 1.00 50.52 O ATOM 0 H GLY A 35 -37.348 -10.218 11.502 1.00 71.54 H new ATOM 0 HA2 GLY A 35 -38.435 -9.491 13.988 1.00 61.21 H new ATOM 0 HA3 GLY A 35 -36.745 -9.766 13.616 1.00 61.21 H new ATOM 513 N GLU A 36 -37.681 -7.177 14.635 1.00 25.34 N ATOM 514 CA GLU A 36 -37.468 -5.760 14.903 1.00 23.30 C ATOM 515 C GLU A 36 -35.991 -5.396 14.769 1.00 75.14 C ATOM 516 O GLU A 36 -35.647 -4.257 14.453 1.00 34.31 O ATOM 517 CB GLU A 36 -37.966 -5.403 16.305 1.00 11.14 C ATOM 518 CG GLU A 36 -39.431 -5.738 16.533 1.00 41.24 C ATOM 519 CD GLU A 36 -40.351 -5.013 15.570 1.00 1.32 C ATOM 520 OE1 GLU A 36 -40.358 -5.370 14.374 1.00 11.12 O ATOM 521 OE2 GLU A 36 -41.065 -4.090 16.015 1.00 24.50 O1- ATOM 0 H GLU A 36 -38.094 -7.696 15.410 1.00 25.34 H new ATOM 0 HA GLU A 36 -38.034 -5.189 14.167 1.00 23.30 H new ATOM 0 HB2 GLU A 36 -37.362 -5.932 17.042 1.00 11.14 H new ATOM 0 HB3 GLU A 36 -37.815 -4.337 16.475 1.00 11.14 H new ATOM 0 HG2 GLU A 36 -39.575 -6.813 16.427 1.00 41.24 H new ATOM 0 HG3 GLU A 36 -39.704 -5.479 17.556 1.00 41.24 H new ATOM 528 N ASP A 37 -35.124 -6.374 15.011 1.00 22.02 N ATOM 529 CA ASP A 37 -33.685 -6.158 14.918 1.00 32.15 C ATOM 530 C ASP A 37 -33.306 -5.601 13.549 1.00 14.55 C ATOM 531 O ASP A 37 -32.374 -4.807 13.427 1.00 61.42 O ATOM 532 CB ASP A 37 -32.934 -7.466 15.175 1.00 75.52 C ATOM 533 CG ASP A 37 -32.755 -7.749 16.653 1.00 61.23 C ATOM 534 OD1 ASP A 37 -33.427 -7.086 17.471 1.00 2.44 O ATOM 535 OD2 ASP A 37 -31.944 -8.636 16.993 1.00 44.23 O1- ATOM 0 H ASP A 37 -35.393 -7.323 15.273 1.00 22.02 H new ATOM 0 HA ASP A 37 -33.402 -5.430 15.678 1.00 32.15 H new ATOM 0 HB2 ASP A 37 -33.477 -8.290 14.713 1.00 75.52 H new ATOM 0 HB3 ASP A 37 -31.956 -7.421 14.696 1.00 75.52 H new ATOM 540 N ALA A 38 -34.035 -6.025 12.522 1.00 41.12 N ATOM 541 CA ALA A 38 -33.777 -5.568 11.162 1.00 33.22 C ATOM 542 C ALA A 38 -34.015 -4.068 11.032 1.00 61.11 C ATOM 543 O ALA A 38 -33.481 -3.419 10.131 1.00 73.30 O ATOM 544 CB ALA A 38 -34.648 -6.330 10.175 1.00 54.45 C ATOM 0 H ALA A 38 -34.809 -6.684 12.606 1.00 41.12 H new ATOM 0 HA ALA A 38 -32.730 -5.764 10.932 1.00 33.22 H new ATOM 0 HB1 ALA A 38 -34.445 -5.978 9.163 1.00 54.45 H new ATOM 0 HB2 ALA A 38 -34.426 -7.395 10.240 1.00 54.45 H new ATOM 0 HB3 ALA A 38 -35.699 -6.163 10.413 1.00 54.45 H new ATOM 550 N LEU A 39 -34.821 -3.521 11.936 1.00 44.35 N ATOM 551 CA LEU A 39 -35.131 -2.096 11.922 1.00 51.12 C ATOM 552 C LEU A 39 -34.745 -1.442 13.245 1.00 25.44 C ATOM 553 O LEU A 39 -35.169 -0.326 13.544 1.00 75.32 O ATOM 554 CB LEU A 39 -36.621 -1.880 11.649 1.00 75.42 C ATOM 555 CG LEU A 39 -37.586 -2.671 12.533 1.00 63.45 C ATOM 556 CD1 LEU A 39 -37.846 -1.929 13.835 1.00 3.12 C ATOM 557 CD2 LEU A 39 -38.891 -2.932 11.796 1.00 33.13 C ATOM 0 H LEU A 39 -35.271 -4.043 12.688 1.00 44.35 H new ATOM 0 HA LEU A 39 -34.551 -1.631 11.125 1.00 51.12 H new ATOM 0 HB2 LEU A 39 -36.841 -0.819 11.764 1.00 75.42 H new ATOM 0 HB3 LEU A 39 -36.820 -2.136 10.608 1.00 75.42 H new ATOM 0 HG LEU A 39 -37.128 -3.631 12.771 1.00 63.45 H new ATOM 0 HD11 LEU A 39 -38.535 -2.506 14.452 1.00 3.12 H new ATOM 0 HD12 LEU A 39 -36.906 -1.793 14.370 1.00 3.12 H new ATOM 0 HD13 LEU A 39 -38.284 -0.955 13.617 1.00 3.12 H new ATOM 0 HD21 LEU A 39 -39.566 -3.496 12.440 1.00 33.13 H new ATOM 0 HD22 LEU A 39 -39.354 -1.982 11.528 1.00 33.13 H new ATOM 0 HD23 LEU A 39 -38.689 -3.505 10.891 1.00 33.13 H new ATOM 569 N ARG A 40 -33.938 -2.144 14.034 1.00 20.52 N ATOM 570 CA ARG A 40 -33.494 -1.632 15.325 1.00 43.52 C ATOM 571 C ARG A 40 -32.901 -0.234 15.180 1.00 33.33 C ATOM 572 O ARG A 40 -33.115 0.633 16.025 1.00 61.33 O ATOM 573 CB ARG A 40 -32.461 -2.575 15.943 1.00 31.43 C ATOM 574 CG ARG A 40 -31.205 -2.739 15.102 1.00 41.24 C ATOM 575 CD ARG A 40 -30.462 -4.017 15.458 1.00 43.45 C ATOM 576 NE ARG A 40 -29.624 -3.852 16.643 1.00 63.04 N ATOM 577 CZ ARG A 40 -28.882 -4.825 17.160 1.00 32.22 C ATOM 578 NH1 ARG A 40 -28.872 -6.025 16.598 1.00 22.50 N1+ ATOM 579 NH2 ARG A 40 -28.147 -4.596 18.241 1.00 20.05 N ATOM 0 H ARG A 40 -33.578 -3.070 13.801 1.00 20.52 H new ATOM 0 HA ARG A 40 -34.361 -1.573 15.983 1.00 43.52 H new ATOM 0 HB2 ARG A 40 -32.182 -2.200 16.928 1.00 31.43 H new ATOM 0 HB3 ARG A 40 -32.918 -3.553 16.092 1.00 31.43 H new ATOM 0 HG2 ARG A 40 -31.472 -2.754 14.045 1.00 41.24 H new ATOM 0 HG3 ARG A 40 -30.550 -1.881 15.253 1.00 41.24 H new ATOM 0 HD2 ARG A 40 -31.181 -4.818 15.631 1.00 43.45 H new ATOM 0 HD3 ARG A 40 -29.842 -4.322 14.615 1.00 43.45 H new ATOM 0 HE ARG A 40 -29.608 -2.940 17.099 1.00 63.04 H new ATOM 0 HH11 ARG A 40 -29.435 -6.203 15.766 1.00 22.50 H new ATOM 0 HH12 ARG A 40 -28.301 -6.770 16.997 1.00 22.50 H new ATOM 0 HH21 ARG A 40 -28.152 -3.673 18.675 1.00 20.05 H new ATOM 0 HH22 ARG A 40 -27.577 -5.343 18.638 1.00 20.05 H new ATOM 593 N ASN A 41 -32.152 -0.024 14.101 1.00 55.32 N ATOM 594 CA ASN A 41 -31.526 1.268 13.846 1.00 71.13 C ATOM 595 C ASN A 41 -32.497 2.215 13.145 1.00 35.30 C ATOM 596 O ASN A 41 -32.308 3.432 13.151 1.00 31.23 O ATOM 597 CB ASN A 41 -30.268 1.090 12.994 1.00 34.41 C ATOM 598 CG ASN A 41 -29.423 -0.084 13.451 1.00 10.32 C ATOM 599 OD1 ASN A 41 -28.925 -0.104 14.577 1.00 32.53 O ATOM 600 ND2 ASN A 41 -29.257 -1.069 12.576 1.00 61.32 N ATOM 0 H ASN A 41 -31.964 -0.731 13.391 1.00 55.32 H new ATOM 0 HA ASN A 41 -31.249 1.704 14.806 1.00 71.13 H new ATOM 0 HB2 ASN A 41 -30.555 0.944 11.953 1.00 34.41 H new ATOM 0 HB3 ASN A 41 -29.672 2.002 13.036 1.00 34.41 H new ATOM 0 HD21 ASN A 41 -28.698 -1.885 12.826 1.00 61.32 H new ATOM 0 HD22 ASN A 41 -29.689 -1.010 11.654 1.00 61.32 H new ATOM 607 N LEU A 42 -33.536 1.648 12.544 1.00 5.31 N ATOM 608 CA LEU A 42 -34.538 2.440 11.839 1.00 1.45 C ATOM 609 C LEU A 42 -35.068 3.561 12.726 1.00 41.30 C ATOM 610 O LEU A 42 -35.212 3.394 13.937 1.00 64.12 O ATOM 611 CB LEU A 42 -35.694 1.547 11.381 1.00 35.41 C ATOM 612 CG LEU A 42 -36.361 1.935 10.061 1.00 32.44 C ATOM 613 CD1 LEU A 42 -35.602 1.340 8.885 1.00 21.05 C ATOM 614 CD2 LEU A 42 -37.813 1.484 10.045 1.00 43.22 C ATOM 0 H LEU A 42 -33.707 0.643 12.530 1.00 5.31 H new ATOM 0 HA LEU A 42 -34.063 2.886 10.965 1.00 1.45 H new ATOM 0 HB2 LEU A 42 -35.324 0.526 11.291 1.00 35.41 H new ATOM 0 HB3 LEU A 42 -36.455 1.543 12.162 1.00 35.41 H new ATOM 0 HG LEU A 42 -36.338 3.021 9.969 1.00 32.44 H new ATOM 0 HD11 LEU A 42 -36.091 1.627 7.954 1.00 21.05 H new ATOM 0 HD12 LEU A 42 -34.578 1.713 8.887 1.00 21.05 H new ATOM 0 HD13 LEU A 42 -35.592 0.253 8.970 1.00 21.05 H new ATOM 0 HD21 LEU A 42 -38.272 1.769 9.098 1.00 43.22 H new ATOM 0 HD22 LEU A 42 -37.859 0.401 10.160 1.00 43.22 H new ATOM 0 HD23 LEU A 42 -38.351 1.959 10.866 1.00 43.22 H new ATOM 626 N ASP A 43 -35.358 4.705 12.115 1.00 10.14 N ATOM 627 CA ASP A 43 -35.876 5.854 12.849 1.00 31.33 C ATOM 628 C ASP A 43 -37.380 5.999 12.640 1.00 31.33 C ATOM 629 O ASP A 43 -38.029 5.112 12.086 1.00 2.34 O ATOM 630 CB ASP A 43 -35.160 7.132 12.408 1.00 44.20 C ATOM 631 CG ASP A 43 -33.651 7.004 12.477 1.00 54.04 C ATOM 632 OD1 ASP A 43 -33.158 6.274 13.363 1.00 1.31 O ATOM 633 OD2 ASP A 43 -32.964 7.634 11.647 1.00 30.34 O1- ATOM 0 H ASP A 43 -35.243 4.861 11.114 1.00 10.14 H new ATOM 0 HA ASP A 43 -35.690 5.691 13.911 1.00 31.33 H new ATOM 0 HB2 ASP A 43 -35.455 7.376 11.387 1.00 44.20 H new ATOM 0 HB3 ASP A 43 -35.481 7.961 13.039 1.00 44.20 H new ATOM 638 N ASP A 44 -37.927 7.124 13.087 1.00 73.33 N ATOM 639 CA ASP A 44 -39.355 7.386 12.950 1.00 11.43 C ATOM 640 C ASP A 44 -39.731 7.595 11.486 1.00 44.41 C ATOM 641 O ASP A 44 -40.891 7.441 11.104 1.00 0.12 O ATOM 642 CB ASP A 44 -39.752 8.614 13.771 1.00 63.23 C ATOM 643 CG ASP A 44 -39.237 8.549 15.196 1.00 31.34 C ATOM 644 OD1 ASP A 44 -39.895 7.899 16.035 1.00 40.13 O ATOM 645 OD2 ASP A 44 -38.176 9.147 15.472 1.00 13.32 O1- ATOM 0 H ASP A 44 -37.404 7.869 13.547 1.00 73.33 H new ATOM 0 HA ASP A 44 -39.896 6.517 13.326 1.00 11.43 H new ATOM 0 HB2 ASP A 44 -39.364 9.511 13.288 1.00 63.23 H new ATOM 0 HB3 ASP A 44 -40.838 8.703 13.784 1.00 63.23 H new ATOM 650 N ARG A 45 -38.742 7.949 10.672 1.00 71.11 N ATOM 651 CA ARG A 45 -38.968 8.182 9.251 1.00 52.13 C ATOM 652 C ARG A 45 -39.105 6.861 8.498 1.00 35.45 C ATOM 653 O ARG A 45 -39.682 6.809 7.413 1.00 3.22 O ATOM 654 CB ARG A 45 -37.823 9.004 8.657 1.00 65.04 C ATOM 655 CG ARG A 45 -37.951 10.497 8.908 1.00 43.34 C ATOM 656 CD ARG A 45 -38.889 11.152 7.907 1.00 43.42 C ATOM 657 NE ARG A 45 -38.768 12.607 7.913 1.00 64.23 N ATOM 658 CZ ARG A 45 -39.694 13.424 7.423 1.00 23.12 C ATOM 659 NH1 ARG A 45 -40.804 12.931 6.891 1.00 63.01 N1+ ATOM 660 NH2 ARG A 45 -39.511 14.738 7.466 1.00 3.01 N ATOM 0 H ARG A 45 -37.776 8.081 10.973 1.00 71.11 H new ATOM 0 HA ARG A 45 -39.898 8.740 9.144 1.00 52.13 H new ATOM 0 HB2 ARG A 45 -36.880 8.653 9.076 1.00 65.04 H new ATOM 0 HB3 ARG A 45 -37.780 8.827 7.582 1.00 65.04 H new ATOM 0 HG2 ARG A 45 -38.321 10.667 9.919 1.00 43.34 H new ATOM 0 HG3 ARG A 45 -36.968 10.963 8.846 1.00 43.34 H new ATOM 0 HD2 ARG A 45 -38.673 10.775 6.907 1.00 43.42 H new ATOM 0 HD3 ARG A 45 -39.917 10.873 8.138 1.00 43.42 H new ATOM 0 HE ARG A 45 -37.926 13.019 8.316 1.00 64.23 H new ATOM 0 HH11 ARG A 45 -40.949 11.922 6.857 1.00 63.01 H new ATOM 0 HH12 ARG A 45 -41.513 13.561 6.516 1.00 63.01 H new ATOM 0 HH21 ARG A 45 -38.659 15.121 7.875 1.00 3.01 H new ATOM 0 HH22 ARG A 45 -40.222 15.365 7.090 1.00 3.01 H new ATOM 674 N GLY A 46 -38.567 5.795 9.083 1.00 63.25 N ATOM 675 CA GLY A 46 -38.638 4.490 8.453 1.00 13.20 C ATOM 676 C GLY A 46 -37.377 4.147 7.684 1.00 41.41 C ATOM 677 O GLY A 46 -37.395 3.294 6.796 1.00 11.40 O ATOM 0 H GLY A 46 -38.084 5.812 9.981 1.00 63.25 H new ATOM 0 HA2 GLY A 46 -38.812 3.731 9.216 1.00 13.20 H new ATOM 0 HA3 GLY A 46 -39.491 4.463 7.776 1.00 13.20 H new ATOM 681 N VAL A 47 -36.279 4.814 8.024 1.00 30.53 N ATOM 682 CA VAL A 47 -35.003 4.576 7.359 1.00 42.32 C ATOM 683 C VAL A 47 -33.889 4.344 8.374 1.00 35.22 C ATOM 684 O VAL A 47 -33.866 4.964 9.438 1.00 74.45 O ATOM 685 CB VAL A 47 -34.617 5.757 6.449 1.00 33.24 C ATOM 686 CG1 VAL A 47 -33.267 5.505 5.793 1.00 62.32 C ATOM 687 CG2 VAL A 47 -35.692 5.995 5.400 1.00 11.24 C ATOM 0 H VAL A 47 -36.247 5.524 8.756 1.00 30.53 H new ATOM 0 HA VAL A 47 -35.125 3.681 6.749 1.00 42.32 H new ATOM 0 HB VAL A 47 -34.535 6.655 7.062 1.00 33.24 H new ATOM 0 HG11 VAL A 47 -33.010 6.349 5.154 1.00 62.32 H new ATOM 0 HG12 VAL A 47 -32.505 5.388 6.563 1.00 62.32 H new ATOM 0 HG13 VAL A 47 -33.318 4.597 5.192 1.00 62.32 H new ATOM 0 HG21 VAL A 47 -35.403 6.833 4.766 1.00 11.24 H new ATOM 0 HG22 VAL A 47 -35.808 5.100 4.788 1.00 11.24 H new ATOM 0 HG23 VAL A 47 -36.637 6.222 5.893 1.00 11.24 H new ATOM 697 N ILE A 48 -32.967 3.450 8.038 1.00 4.11 N ATOM 698 CA ILE A 48 -31.848 3.137 8.919 1.00 23.31 C ATOM 699 C ILE A 48 -30.896 4.321 9.039 1.00 42.35 C ATOM 700 O ILE A 48 -30.412 4.846 8.036 1.00 21.41 O ATOM 701 CB ILE A 48 -31.063 1.910 8.419 1.00 74.51 C ATOM 702 CG1 ILE A 48 -31.958 0.669 8.424 1.00 2.21 C ATOM 703 CG2 ILE A 48 -29.830 1.684 9.281 1.00 61.43 C ATOM 704 CD1 ILE A 48 -32.401 0.247 9.807 1.00 11.41 C ATOM 0 H ILE A 48 -32.972 2.929 7.161 1.00 4.11 H new ATOM 0 HA ILE A 48 -32.271 2.913 9.898 1.00 23.31 H new ATOM 0 HB ILE A 48 -30.738 2.096 7.395 1.00 74.51 H new ATOM 0 HG12 ILE A 48 -32.839 0.865 7.813 1.00 2.21 H new ATOM 0 HG13 ILE A 48 -31.422 -0.157 7.955 1.00 2.21 H new ATOM 0 HG21 ILE A 48 -29.285 0.813 8.916 1.00 61.43 H new ATOM 0 HG22 ILE A 48 -29.186 2.562 9.232 1.00 61.43 H new ATOM 0 HG23 ILE A 48 -30.134 1.514 10.314 1.00 61.43 H new ATOM 0 HD11 ILE A 48 -33.032 -0.639 9.732 1.00 11.41 H new ATOM 0 HD12 ILE A 48 -31.526 0.019 10.416 1.00 11.41 H new ATOM 0 HD13 ILE A 48 -32.965 1.056 10.271 1.00 11.41 H new ATOM 716 N ARG A 49 -30.631 4.738 10.273 1.00 61.21 N ATOM 717 CA ARG A 49 -29.735 5.860 10.525 1.00 55.21 C ATOM 718 C ARG A 49 -28.318 5.541 10.056 1.00 4.43 C ATOM 719 O ARG A 49 -27.912 4.379 10.022 1.00 74.42 O ATOM 720 CB ARG A 49 -29.724 6.208 12.014 1.00 75.12 C ATOM 721 CG ARG A 49 -29.006 7.510 12.331 1.00 63.14 C ATOM 722 CD ARG A 49 -29.306 7.982 13.745 1.00 21.00 C ATOM 723 NE ARG A 49 -28.455 7.326 14.733 1.00 40.53 N ATOM 724 CZ ARG A 49 -28.289 7.771 15.974 1.00 35.01 C ATOM 725 NH1 ARG A 49 -28.915 8.870 16.375 1.00 2.42 N1+ ATOM 726 NH2 ARG A 49 -27.498 7.119 16.815 1.00 44.41 N ATOM 0 H ARG A 49 -31.024 4.315 11.114 1.00 61.21 H new ATOM 0 HA ARG A 49 -30.102 6.718 9.961 1.00 55.21 H new ATOM 0 HB2 ARG A 49 -30.752 6.274 12.370 1.00 75.12 H new ATOM 0 HB3 ARG A 49 -29.247 5.397 12.564 1.00 75.12 H new ATOM 0 HG2 ARG A 49 -27.931 7.372 12.213 1.00 63.14 H new ATOM 0 HG3 ARG A 49 -29.309 8.277 11.618 1.00 63.14 H new ATOM 0 HD2 ARG A 49 -29.165 9.061 13.804 1.00 21.00 H new ATOM 0 HD3 ARG A 49 -30.352 7.784 13.979 1.00 21.00 H new ATOM 0 HE ARG A 49 -27.960 6.479 14.455 1.00 40.53 H new ATOM 0 HH11 ARG A 49 -29.524 9.374 15.730 1.00 2.42 H new ATOM 0 HH12 ARG A 49 -28.787 9.211 17.328 1.00 2.42 H new ATOM 0 HH21 ARG A 49 -27.015 6.274 16.510 1.00 44.41 H new ATOM 0 HH22 ARG A 49 -27.372 7.463 17.767 1.00 44.41 H new ATOM 740 N ILE A 50 -27.572 6.580 9.696 1.00 42.34 N ATOM 741 CA ILE A 50 -26.202 6.410 9.230 1.00 64.41 C ATOM 742 C ILE A 50 -25.332 5.762 10.303 1.00 25.51 C ATOM 743 O ILE A 50 -25.528 5.989 11.495 1.00 50.31 O ATOM 744 CB ILE A 50 -25.574 7.756 8.821 1.00 4.21 C ATOM 745 CG1 ILE A 50 -26.451 8.457 7.782 1.00 31.11 C ATOM 746 CG2 ILE A 50 -24.168 7.544 8.280 1.00 54.25 C ATOM 747 CD1 ILE A 50 -26.054 9.894 7.526 1.00 54.33 C ATOM 0 H ILE A 50 -27.893 7.548 9.718 1.00 42.34 H new ATOM 0 HA ILE A 50 -26.245 5.758 8.357 1.00 64.41 H new ATOM 0 HB ILE A 50 -25.509 8.392 9.704 1.00 4.21 H new ATOM 0 HG12 ILE A 50 -26.403 7.903 6.845 1.00 31.11 H new ATOM 0 HG13 ILE A 50 -27.488 8.429 8.116 1.00 31.11 H new ATOM 0 HG21 ILE A 50 -23.739 8.505 7.996 1.00 54.25 H new ATOM 0 HG22 ILE A 50 -23.548 7.083 9.049 1.00 54.25 H new ATOM 0 HG23 ILE A 50 -24.208 6.892 7.407 1.00 54.25 H new ATOM 0 HD11 ILE A 50 -26.719 10.328 6.779 1.00 54.33 H new ATOM 0 HD12 ILE A 50 -26.129 10.463 8.453 1.00 54.33 H new ATOM 0 HD13 ILE A 50 -25.027 9.928 7.162 1.00 54.33 H new ATOM 759 N GLY A 51 -24.370 4.954 9.868 1.00 2.14 N ATOM 760 CA GLY A 51 -23.483 4.287 10.804 1.00 43.44 C ATOM 761 C GLY A 51 -23.916 2.864 11.098 1.00 53.24 C ATOM 762 O GLY A 51 -23.429 2.243 12.042 1.00 63.33 O ATOM 0 H GLY A 51 -24.189 4.749 8.885 1.00 2.14 H new ATOM 0 HA2 GLY A 51 -22.471 4.279 10.399 1.00 43.44 H new ATOM 0 HA3 GLY A 51 -23.449 4.853 11.735 1.00 43.44 H new ATOM 766 N ALA A 52 -24.835 2.347 10.289 1.00 53.13 N ATOM 767 CA ALA A 52 -25.334 0.989 10.467 1.00 25.41 C ATOM 768 C ALA A 52 -24.729 0.043 9.436 1.00 3.24 C ATOM 769 O ALA A 52 -24.712 0.342 8.242 1.00 33.21 O ATOM 770 CB ALA A 52 -26.852 0.969 10.380 1.00 4.44 C ATOM 0 H ALA A 52 -25.249 2.849 9.503 1.00 53.13 H new ATOM 0 HA ALA A 52 -25.034 0.644 11.457 1.00 25.41 H new ATOM 0 HB1 ALA A 52 -27.211 -0.051 10.515 1.00 4.44 H new ATOM 0 HB2 ALA A 52 -27.270 1.606 11.159 1.00 4.44 H new ATOM 0 HB3 ALA A 52 -27.165 1.338 9.403 1.00 4.44 H new ATOM 776 N GLU A 53 -24.235 -1.099 9.903 1.00 24.44 N ATOM 777 CA GLU A 53 -23.630 -2.088 9.019 1.00 12.23 C ATOM 778 C GLU A 53 -24.673 -2.699 8.089 1.00 61.23 C ATOM 779 O GLU A 53 -25.873 -2.630 8.355 1.00 62.55 O ATOM 780 CB GLU A 53 -22.953 -3.189 9.838 1.00 5.05 C ATOM 781 CG GLU A 53 -22.061 -4.101 9.012 1.00 63.31 C ATOM 782 CD GLU A 53 -20.852 -4.590 9.784 1.00 65.35 C ATOM 783 OE1 GLU A 53 -20.147 -3.747 10.378 1.00 22.21 O ATOM 784 OE2 GLU A 53 -20.609 -5.815 9.794 1.00 42.20 O1- ATOM 0 H GLU A 53 -24.242 -1.362 10.888 1.00 24.44 H new ATOM 0 HA GLU A 53 -22.880 -1.583 8.411 1.00 12.23 H new ATOM 0 HB2 GLU A 53 -22.357 -2.729 10.627 1.00 5.05 H new ATOM 0 HB3 GLU A 53 -23.720 -3.790 10.327 1.00 5.05 H new ATOM 0 HG2 GLU A 53 -22.641 -4.959 8.671 1.00 63.31 H new ATOM 0 HG3 GLU A 53 -21.728 -3.568 8.122 1.00 63.31 H new ATOM 791 N VAL A 54 -24.207 -3.295 6.997 1.00 22.21 N ATOM 792 CA VAL A 54 -25.100 -3.919 6.027 1.00 62.55 C ATOM 793 C VAL A 54 -25.312 -5.394 6.345 1.00 25.30 C ATOM 794 O VAL A 54 -24.400 -6.079 6.809 1.00 72.42 O ATOM 795 CB VAL A 54 -24.550 -3.787 4.593 1.00 34.21 C ATOM 796 CG1 VAL A 54 -25.464 -4.494 3.605 1.00 11.11 C ATOM 797 CG2 VAL A 54 -24.380 -2.322 4.221 1.00 22.21 C ATOM 0 H VAL A 54 -23.217 -3.359 6.761 1.00 22.21 H new ATOM 0 HA VAL A 54 -26.054 -3.396 6.092 1.00 62.55 H new ATOM 0 HB VAL A 54 -23.571 -4.264 4.552 1.00 34.21 H new ATOM 0 HG11 VAL A 54 -25.060 -4.391 2.598 1.00 11.11 H new ATOM 0 HG12 VAL A 54 -25.530 -5.551 3.863 1.00 11.11 H new ATOM 0 HG13 VAL A 54 -26.458 -4.048 3.645 1.00 11.11 H new ATOM 0 HG21 VAL A 54 -23.991 -2.247 3.206 1.00 22.21 H new ATOM 0 HG22 VAL A 54 -25.345 -1.818 4.278 1.00 22.21 H new ATOM 0 HG23 VAL A 54 -23.682 -1.850 4.913 1.00 22.21 H new ATOM 807 N LYS A 55 -26.522 -5.881 6.090 1.00 32.13 N ATOM 808 CA LYS A 55 -26.855 -7.276 6.347 1.00 11.44 C ATOM 809 C LYS A 55 -28.096 -7.693 5.562 1.00 24.20 C ATOM 810 O LYS A 55 -29.056 -6.931 5.449 1.00 53.12 O ATOM 811 CB LYS A 55 -27.088 -7.500 7.843 1.00 13.34 C ATOM 812 CG LYS A 55 -28.119 -6.562 8.446 1.00 34.42 C ATOM 813 CD LYS A 55 -27.982 -6.479 9.956 1.00 72.33 C ATOM 814 CE LYS A 55 -28.687 -7.638 10.644 1.00 54.12 C ATOM 815 NZ LYS A 55 -27.815 -8.841 10.737 1.00 75.44 N1+ ATOM 0 H LYS A 55 -27.288 -5.329 5.705 1.00 32.13 H new ATOM 0 HA LYS A 55 -26.015 -7.889 6.020 1.00 11.44 H new ATOM 0 HB2 LYS A 55 -27.409 -8.529 8.002 1.00 13.34 H new ATOM 0 HB3 LYS A 55 -26.143 -7.376 8.372 1.00 13.34 H new ATOM 0 HG2 LYS A 55 -28.004 -5.568 8.014 1.00 34.42 H new ATOM 0 HG3 LYS A 55 -29.120 -6.907 8.189 1.00 34.42 H new ATOM 0 HD2 LYS A 55 -26.926 -6.481 10.227 1.00 72.33 H new ATOM 0 HD3 LYS A 55 -28.400 -5.536 10.309 1.00 72.33 H new ATOM 0 HE2 LYS A 55 -28.994 -7.334 11.645 1.00 54.12 H new ATOM 0 HE3 LYS A 55 -29.594 -7.889 10.095 1.00 54.12 H new ATOM 0 HZ1 LYS A 55 -28.278 -9.643 10.263 1.00 75.44 H new ATOM 0 HZ2 LYS A 55 -26.904 -8.646 10.276 1.00 75.44 H new ATOM 0 HZ3 LYS A 55 -27.653 -9.076 11.737 1.00 75.44 H new ATOM 829 N ASP A 56 -28.068 -8.907 5.022 1.00 1.11 N ATOM 830 CA ASP A 56 -29.191 -9.425 4.251 1.00 50.12 C ATOM 831 C ASP A 56 -30.497 -9.279 5.025 1.00 51.21 C ATOM 832 O ASP A 56 -30.572 -9.623 6.205 1.00 22.43 O ATOM 833 CB ASP A 56 -28.957 -10.893 3.892 1.00 24.03 C ATOM 834 CG ASP A 56 -28.322 -11.672 5.027 1.00 74.11 C ATOM 835 OD1 ASP A 56 -27.076 -11.720 5.090 1.00 70.55 O ATOM 836 OD2 ASP A 56 -29.072 -12.234 5.854 1.00 42.54 O1- ATOM 0 H ASP A 56 -27.280 -9.550 5.104 1.00 1.11 H new ATOM 0 HA ASP A 56 -29.268 -8.842 3.333 1.00 50.12 H new ATOM 0 HB2 ASP A 56 -29.908 -11.355 3.625 1.00 24.03 H new ATOM 0 HB3 ASP A 56 -28.316 -10.951 3.012 1.00 24.03 H new ATOM 841 N GLY A 57 -31.524 -8.768 4.354 1.00 23.23 N ATOM 842 CA GLY A 57 -32.813 -8.585 4.997 1.00 2.42 C ATOM 843 C GLY A 57 -33.019 -7.167 5.491 1.00 30.44 C ATOM 844 O GLY A 57 -34.036 -6.860 6.111 1.00 50.43 O ATOM 0 H GLY A 57 -31.487 -8.477 3.377 1.00 23.23 H new ATOM 0 HA2 GLY A 57 -33.606 -8.840 4.294 1.00 2.42 H new ATOM 0 HA3 GLY A 57 -32.898 -9.275 5.837 1.00 2.42 H new ATOM 848 N ASP A 58 -32.050 -6.300 5.216 1.00 1.23 N ATOM 849 CA ASP A 58 -32.129 -4.906 5.638 1.00 24.33 C ATOM 850 C ASP A 58 -32.443 -3.997 4.453 1.00 44.22 C ATOM 851 O ASP A 58 -31.555 -3.642 3.677 1.00 4.32 O ATOM 852 CB ASP A 58 -30.816 -4.474 6.293 1.00 74.23 C ATOM 853 CG ASP A 58 -30.682 -4.989 7.713 1.00 42.34 C ATOM 854 OD1 ASP A 58 -31.233 -6.070 8.007 1.00 52.45 O ATOM 855 OD2 ASP A 58 -30.025 -4.311 8.531 1.00 60.24 O1- ATOM 0 H ASP A 58 -31.201 -6.538 4.703 1.00 1.23 H new ATOM 0 HA ASP A 58 -32.936 -4.817 6.366 1.00 24.33 H new ATOM 0 HB2 ASP A 58 -29.979 -4.837 5.697 1.00 74.23 H new ATOM 0 HB3 ASP A 58 -30.756 -3.386 6.297 1.00 74.23 H new ATOM 860 N LEU A 59 -33.711 -3.626 4.320 1.00 1.10 N ATOM 861 CA LEU A 59 -34.144 -2.760 3.229 1.00 32.31 C ATOM 862 C LEU A 59 -33.514 -1.376 3.351 1.00 22.24 C ATOM 863 O LEU A 59 -33.265 -0.704 2.348 1.00 63.34 O ATOM 864 CB LEU A 59 -35.670 -2.639 3.221 1.00 63.13 C ATOM 865 CG LEU A 59 -36.445 -3.915 3.551 1.00 21.11 C ATOM 866 CD1 LEU A 59 -37.935 -3.707 3.331 1.00 3.32 C ATOM 867 CD2 LEU A 59 -35.937 -5.080 2.713 1.00 13.30 C ATOM 0 H LEU A 59 -34.458 -3.911 4.954 1.00 1.10 H new ATOM 0 HA LEU A 59 -33.817 -3.208 2.291 1.00 32.31 H new ATOM 0 HB2 LEU A 59 -35.957 -1.868 3.936 1.00 63.13 H new ATOM 0 HB3 LEU A 59 -35.982 -2.293 2.236 1.00 63.13 H new ATOM 0 HG LEU A 59 -36.284 -4.153 4.602 1.00 21.11 H new ATOM 0 HD11 LEU A 59 -38.470 -4.626 3.571 1.00 3.32 H new ATOM 0 HD12 LEU A 59 -38.289 -2.902 3.975 1.00 3.32 H new ATOM 0 HD13 LEU A 59 -38.116 -3.444 2.289 1.00 3.32 H new ATOM 0 HD21 LEU A 59 -36.500 -5.980 2.961 1.00 13.30 H new ATOM 0 HD22 LEU A 59 -36.067 -4.851 1.655 1.00 13.30 H new ATOM 0 HD23 LEU A 59 -34.880 -5.245 2.922 1.00 13.30 H new ATOM 879 N LEU A 60 -33.257 -0.955 4.584 1.00 4.23 N ATOM 880 CA LEU A 60 -32.654 0.349 4.838 1.00 33.23 C ATOM 881 C LEU A 60 -33.544 1.472 4.315 1.00 4.21 C ATOM 882 O LEU A 60 -33.087 2.596 4.110 1.00 64.02 O ATOM 883 CB LEU A 60 -31.273 0.430 4.183 1.00 0.12 C ATOM 884 CG LEU A 60 -30.289 -0.680 4.553 1.00 74.51 C ATOM 885 CD1 LEU A 60 -29.123 -0.706 3.577 1.00 63.21 C ATOM 886 CD2 LEU A 60 -29.789 -0.496 5.978 1.00 1.41 C ATOM 0 H LEU A 60 -33.457 -1.498 5.424 1.00 4.23 H new ATOM 0 HA LEU A 60 -32.546 0.468 5.916 1.00 33.23 H new ATOM 0 HB2 LEU A 60 -31.405 0.425 3.101 1.00 0.12 H new ATOM 0 HB3 LEU A 60 -30.824 1.388 4.445 1.00 0.12 H new ATOM 0 HG LEU A 60 -30.809 -1.636 4.492 1.00 74.51 H new ATOM 0 HD11 LEU A 60 -28.433 -1.502 3.856 1.00 63.21 H new ATOM 0 HD12 LEU A 60 -29.496 -0.886 2.569 1.00 63.21 H new ATOM 0 HD13 LEU A 60 -28.603 0.252 3.606 1.00 63.21 H new ATOM 0 HD21 LEU A 60 -29.090 -1.295 6.224 1.00 1.41 H new ATOM 0 HD22 LEU A 60 -29.285 0.467 6.065 1.00 1.41 H new ATOM 0 HD23 LEU A 60 -30.633 -0.528 6.667 1.00 1.41 H new ATOM 898 N VAL A 61 -34.819 1.160 4.102 1.00 0.20 N ATOM 899 CA VAL A 61 -35.774 2.144 3.607 1.00 71.21 C ATOM 900 C VAL A 61 -37.207 1.659 3.793 1.00 70.32 C ATOM 901 O VAL A 61 -37.518 0.494 3.545 1.00 31.11 O ATOM 902 CB VAL A 61 -35.538 2.454 2.118 1.00 31.34 C ATOM 903 CG1 VAL A 61 -35.916 1.258 1.256 1.00 4.22 C ATOM 904 CG2 VAL A 61 -36.320 3.691 1.701 1.00 2.31 C ATOM 0 H VAL A 61 -35.214 0.234 4.265 1.00 0.20 H new ATOM 0 HA VAL A 61 -35.623 3.054 4.188 1.00 71.21 H new ATOM 0 HB VAL A 61 -34.477 2.656 1.971 1.00 31.34 H new ATOM 0 HG11 VAL A 61 -35.742 1.496 0.207 1.00 4.22 H new ATOM 0 HG12 VAL A 61 -35.307 0.399 1.539 1.00 4.22 H new ATOM 0 HG13 VAL A 61 -36.969 1.021 1.405 1.00 4.22 H new ATOM 0 HG21 VAL A 61 -36.141 3.896 0.645 1.00 2.31 H new ATOM 0 HG22 VAL A 61 -37.384 3.520 1.863 1.00 2.31 H new ATOM 0 HG23 VAL A 61 -35.995 4.545 2.296 1.00 2.31 H new ATOM 914 N GLY A 62 -38.080 2.561 4.231 1.00 71.04 N ATOM 915 CA GLY A 62 -39.471 2.208 4.442 1.00 31.12 C ATOM 916 C GLY A 62 -40.360 2.639 3.293 1.00 34.53 C ATOM 917 O GLY A 62 -40.727 3.809 3.186 1.00 41.31 O ATOM 0 H GLY A 62 -37.848 3.531 4.444 1.00 71.04 H new ATOM 0 HA2 GLY A 62 -39.552 1.129 4.575 1.00 31.12 H new ATOM 0 HA3 GLY A 62 -39.824 2.671 5.364 1.00 31.12 H new ATOM 921 N LYS A 63 -40.708 1.691 2.428 1.00 64.14 N ATOM 922 CA LYS A 63 -41.559 1.979 1.279 1.00 33.22 C ATOM 923 C LYS A 63 -42.641 0.914 1.125 1.00 20.52 C ATOM 924 O LYS A 63 -42.397 -0.158 0.570 1.00 13.53 O ATOM 925 CB LYS A 63 -40.719 2.057 0.003 1.00 74.02 C ATOM 926 CG LYS A 63 -40.440 3.478 -0.455 1.00 20.40 C ATOM 927 CD LYS A 63 -38.987 3.657 -0.864 1.00 71.32 C ATOM 928 CE LYS A 63 -38.545 5.106 -0.729 1.00 42.40 C ATOM 929 NZ LYS A 63 -38.583 5.567 0.687 1.00 61.51 N1+ ATOM 0 H LYS A 63 -40.414 0.717 2.501 1.00 64.14 H new ATOM 0 HA LYS A 63 -42.042 2.942 1.447 1.00 33.22 H new ATOM 0 HB2 LYS A 63 -39.771 1.545 0.170 1.00 74.02 H new ATOM 0 HB3 LYS A 63 -41.234 1.522 -0.795 1.00 74.02 H new ATOM 0 HG2 LYS A 63 -41.089 3.724 -1.296 1.00 20.40 H new ATOM 0 HG3 LYS A 63 -40.681 4.174 0.348 1.00 20.40 H new ATOM 0 HD2 LYS A 63 -38.353 3.023 -0.245 1.00 71.32 H new ATOM 0 HD3 LYS A 63 -38.855 3.330 -1.895 1.00 71.32 H new ATOM 0 HE2 LYS A 63 -37.533 5.215 -1.120 1.00 42.40 H new ATOM 0 HE3 LYS A 63 -39.191 5.741 -1.335 1.00 42.40 H new ATOM 0 HZ1 LYS A 63 -39.184 6.413 0.761 1.00 61.51 H new ATOM 0 HZ2 LYS A 63 -38.973 4.812 1.287 1.00 61.51 H new ATOM 0 HZ3 LYS A 63 -37.619 5.798 1.003 1.00 61.51 H new ATOM 943 N VAL A 64 -43.838 1.217 1.617 1.00 71.05 N ATOM 944 CA VAL A 64 -44.957 0.286 1.531 1.00 72.21 C ATOM 945 C VAL A 64 -46.255 1.018 1.209 1.00 72.14 C ATOM 946 O VAL A 64 -46.623 1.981 1.882 1.00 61.31 O ATOM 947 CB VAL A 64 -45.136 -0.500 2.843 1.00 41.14 C ATOM 948 CG1 VAL A 64 -44.124 -1.634 2.928 1.00 41.34 C ATOM 949 CG2 VAL A 64 -45.011 0.428 4.042 1.00 71.41 C ATOM 0 H VAL A 64 -44.058 2.099 2.079 1.00 71.05 H new ATOM 0 HA VAL A 64 -44.727 -0.413 0.727 1.00 72.21 H new ATOM 0 HB VAL A 64 -46.135 -0.935 2.852 1.00 41.14 H new ATOM 0 HG11 VAL A 64 -44.265 -2.179 3.862 1.00 41.34 H new ATOM 0 HG12 VAL A 64 -44.266 -2.313 2.087 1.00 41.34 H new ATOM 0 HG13 VAL A 64 -43.115 -1.224 2.896 1.00 41.34 H new ATOM 0 HG21 VAL A 64 -45.140 -0.145 4.960 1.00 71.41 H new ATOM 0 HG22 VAL A 64 -44.026 0.894 4.040 1.00 71.41 H new ATOM 0 HG23 VAL A 64 -45.778 1.201 3.985 1.00 71.41 H new ATOM 959 N THR A 65 -46.949 0.553 0.174 1.00 75.31 N ATOM 960 CA THR A 65 -48.207 1.163 -0.238 1.00 21.11 C ATOM 961 C THR A 65 -49.396 0.300 0.169 1.00 50.33 C ATOM 962 O THR A 65 -49.269 -0.900 0.409 1.00 22.30 O ATOM 963 CB THR A 65 -48.249 1.388 -1.762 1.00 51.22 C ATOM 964 OG1 THR A 65 -47.330 0.505 -2.413 1.00 52.43 O ATOM 965 CG2 THR A 65 -47.905 2.830 -2.105 1.00 65.41 C ATOM 0 H THR A 65 -46.661 -0.244 -0.394 1.00 75.31 H new ATOM 0 HA THR A 65 -48.271 2.127 0.267 1.00 21.11 H new ATOM 0 HB THR A 65 -49.260 1.179 -2.111 1.00 51.22 H new ATOM 0 HG1 THR A 65 -47.364 0.653 -3.381 1.00 52.43 H new ATOM 0 HG21 THR A 65 -47.941 2.965 -3.186 1.00 65.41 H new ATOM 0 HG22 THR A 65 -48.624 3.498 -1.632 1.00 65.41 H new ATOM 0 HG23 THR A 65 -46.903 3.061 -1.744 1.00 65.41 H new ATOM 973 N PRO A 66 -50.581 0.925 0.250 1.00 71.34 N ATOM 974 CA PRO A 66 -51.815 0.232 0.628 1.00 72.00 C ATOM 975 C PRO A 66 -52.290 -0.737 -0.450 1.00 31.14 C ATOM 976 O PRO A 66 -51.906 -0.623 -1.615 1.00 4.01 O ATOM 977 CB PRO A 66 -52.823 1.372 0.802 1.00 54.11 C ATOM 978 CG PRO A 66 -52.304 2.471 -0.060 1.00 72.32 C ATOM 979 CD PRO A 66 -50.805 2.355 -0.021 1.00 51.54 C ATOM 0 HA PRO A 66 -51.682 -0.379 1.521 1.00 72.00 H new ATOM 0 HB2 PRO A 66 -53.823 1.066 0.495 1.00 54.11 H new ATOM 0 HB3 PRO A 66 -52.891 1.685 1.844 1.00 54.11 H new ATOM 0 HG2 PRO A 66 -52.676 2.376 -1.080 1.00 72.32 H new ATOM 0 HG3 PRO A 66 -52.630 3.443 0.309 1.00 72.32 H new ATOM 0 HD2 PRO A 66 -50.354 2.661 -0.965 1.00 51.54 H new ATOM 0 HD3 PRO A 66 -50.373 2.984 0.757 1.00 51.54 H new ATOM 987 N LYS A 67 -53.124 -1.692 -0.054 1.00 13.34 N ATOM 988 CA LYS A 67 -53.653 -2.681 -0.987 1.00 22.03 C ATOM 989 C LYS A 67 -55.178 -2.642 -1.015 1.00 61.40 C ATOM 990 O LYS A 67 -55.805 -1.918 -0.243 1.00 45.12 O ATOM 991 CB LYS A 67 -53.175 -4.083 -0.600 1.00 13.12 C ATOM 992 CG LYS A 67 -51.744 -4.374 -1.017 1.00 24.12 C ATOM 993 CD LYS A 67 -51.327 -5.783 -0.632 1.00 43.33 C ATOM 994 CE LYS A 67 -51.876 -6.813 -1.607 1.00 51.24 C ATOM 995 NZ LYS A 67 -51.070 -8.065 -1.602 1.00 22.33 N1+ ATOM 0 H LYS A 67 -53.449 -1.803 0.907 1.00 13.34 H new ATOM 0 HA LYS A 67 -53.283 -2.439 -1.983 1.00 22.03 H new ATOM 0 HB2 LYS A 67 -53.261 -4.202 0.480 1.00 13.12 H new ATOM 0 HB3 LYS A 67 -53.835 -4.821 -1.056 1.00 13.12 H new ATOM 0 HG2 LYS A 67 -51.645 -4.246 -2.095 1.00 24.12 H new ATOM 0 HG3 LYS A 67 -51.074 -3.654 -0.548 1.00 24.12 H new ATOM 0 HD2 LYS A 67 -50.239 -5.848 -0.607 1.00 43.33 H new ATOM 0 HD3 LYS A 67 -51.683 -6.007 0.374 1.00 43.33 H new ATOM 0 HE2 LYS A 67 -52.909 -7.045 -1.347 1.00 51.24 H new ATOM 0 HE3 LYS A 67 -51.887 -6.392 -2.612 1.00 51.24 H new ATOM 0 HZ1 LYS A 67 -51.476 -8.742 -2.279 1.00 22.33 H new ATOM 0 HZ2 LYS A 67 -50.090 -7.848 -1.874 1.00 22.33 H new ATOM 0 HZ3 LYS A 67 -51.080 -8.481 -0.649 1.00 22.33 H new ATOM 1009 N GLY A 68 -55.769 -3.428 -1.910 1.00 41.33 N ATOM 1010 CA GLY A 68 -57.215 -3.469 -2.021 1.00 62.55 C ATOM 1011 C GLY A 68 -57.813 -4.698 -1.366 1.00 22.32 C ATOM 1012 O GLY A 68 -57.157 -5.735 -1.261 1.00 24.52 O ATOM 0 H GLY A 68 -55.272 -4.037 -2.560 1.00 41.33 H new ATOM 0 HA2 GLY A 68 -57.637 -2.575 -1.562 1.00 62.55 H new ATOM 0 HA3 GLY A 68 -57.496 -3.449 -3.074 1.00 62.55 H new ATOM 1355 N VAL A 90 -50.705 -4.943 2.992 1.00 14.00 N ATOM 1356 CA VAL A 90 -50.112 -3.940 2.116 1.00 43.15 C ATOM 1357 C VAL A 90 -49.006 -4.545 1.258 1.00 34.22 C ATOM 1358 O VAL A 90 -48.652 -5.713 1.418 1.00 14.45 O ATOM 1359 CB VAL A 90 -49.535 -2.762 2.922 1.00 61.31 C ATOM 1360 CG1 VAL A 90 -50.650 -1.844 3.399 1.00 61.42 C ATOM 1361 CG2 VAL A 90 -48.713 -3.271 4.096 1.00 63.51 C ATOM 0 HA VAL A 90 -50.909 -3.572 1.470 1.00 43.15 H new ATOM 0 HB VAL A 90 -48.877 -2.187 2.270 1.00 61.31 H new ATOM 0 HG11 VAL A 90 -50.223 -1.017 3.967 1.00 61.42 H new ATOM 0 HG12 VAL A 90 -51.191 -1.452 2.538 1.00 61.42 H new ATOM 0 HG13 VAL A 90 -51.336 -2.404 4.034 1.00 61.42 H new ATOM 0 HG21 VAL A 90 -48.313 -2.425 4.654 1.00 63.51 H new ATOM 0 HG22 VAL A 90 -49.346 -3.871 4.750 1.00 63.51 H new ATOM 0 HG23 VAL A 90 -47.890 -3.883 3.726 1.00 63.51 H new ATOM 1371 N ARG A 91 -48.464 -3.742 0.349 1.00 25.45 N ATOM 1372 CA ARG A 91 -47.398 -4.198 -0.535 1.00 3.45 C ATOM 1373 C ARG A 91 -46.072 -3.530 -0.179 1.00 15.52 C ATOM 1374 O ARG A 91 -46.029 -2.339 0.129 1.00 10.53 O ATOM 1375 CB ARG A 91 -47.753 -3.904 -1.993 1.00 35.24 C ATOM 1376 CG ARG A 91 -48.527 -5.024 -2.669 1.00 1.41 C ATOM 1377 CD ARG A 91 -48.390 -4.961 -4.182 1.00 62.05 C ATOM 1378 NE ARG A 91 -47.177 -5.623 -4.651 1.00 32.31 N ATOM 1379 CZ ARG A 91 -46.712 -5.513 -5.891 1.00 62.40 C ATOM 1380 NH1 ARG A 91 -47.355 -4.771 -6.781 1.00 60.23 N1+ ATOM 1381 NH2 ARG A 91 -45.599 -6.147 -6.241 1.00 63.42 N ATOM 0 H ARG A 91 -48.745 -2.772 0.205 1.00 25.45 H new ATOM 0 HA ARG A 91 -47.290 -5.275 -0.405 1.00 3.45 H new ATOM 0 HB2 ARG A 91 -48.343 -2.988 -2.037 1.00 35.24 H new ATOM 0 HB3 ARG A 91 -46.835 -3.719 -2.551 1.00 35.24 H new ATOM 0 HG2 ARG A 91 -48.164 -5.987 -2.309 1.00 1.41 H new ATOM 0 HG3 ARG A 91 -49.580 -4.957 -2.395 1.00 1.41 H new ATOM 0 HD2 ARG A 91 -49.259 -5.428 -4.644 1.00 62.05 H new ATOM 0 HD3 ARG A 91 -48.381 -3.919 -4.502 1.00 62.05 H new ATOM 0 HE ARG A 91 -46.658 -6.202 -3.991 1.00 32.31 H new ATOM 0 HH11 ARG A 91 -48.210 -4.282 -6.515 1.00 60.23 H new ATOM 0 HH12 ARG A 91 -46.995 -4.689 -7.732 1.00 60.23 H new ATOM 0 HH21 ARG A 91 -45.101 -6.718 -5.558 1.00 63.42 H new ATOM 0 HH22 ARG A 91 -45.242 -6.063 -7.193 1.00 63.42 H new ATOM 1395 N ASP A 92 -44.994 -4.306 -0.221 1.00 43.34 N ATOM 1396 CA ASP A 92 -43.668 -3.789 0.095 1.00 22.20 C ATOM 1397 C ASP A 92 -42.915 -3.408 -1.175 1.00 4.24 C ATOM 1398 O ASP A 92 -42.546 -4.268 -1.974 1.00 43.15 O ATOM 1399 CB ASP A 92 -42.869 -4.828 0.885 1.00 42.30 C ATOM 1400 CG ASP A 92 -42.976 -6.216 0.287 1.00 10.14 C ATOM 1401 OD1 ASP A 92 -44.038 -6.853 0.454 1.00 24.00 O ATOM 1402 OD2 ASP A 92 -41.998 -6.668 -0.346 1.00 53.42 O1- ATOM 0 H ASP A 92 -45.013 -5.295 -0.471 1.00 43.34 H new ATOM 0 HA ASP A 92 -43.790 -2.894 0.705 1.00 22.20 H new ATOM 0 HB2 ASP A 92 -41.821 -4.529 0.917 1.00 42.30 H new ATOM 0 HB3 ASP A 92 -43.226 -4.851 1.915 1.00 42.30 H new ATOM 1407 N THR A 93 -42.693 -2.109 -1.357 1.00 3.24 N ATOM 1408 CA THR A 93 -41.986 -1.613 -2.531 1.00 15.11 C ATOM 1409 C THR A 93 -40.588 -1.125 -2.167 1.00 15.23 C ATOM 1410 O THR A 93 -39.940 -0.429 -2.948 1.00 31.43 O ATOM 1411 CB THR A 93 -42.758 -0.465 -3.207 1.00 51.14 C ATOM 1412 OG1 THR A 93 -42.631 0.734 -2.433 1.00 20.55 O ATOM 1413 CG2 THR A 93 -44.228 -0.820 -3.364 1.00 32.22 C ATOM 0 H THR A 93 -42.993 -1.383 -0.707 1.00 3.24 H new ATOM 0 HA THR A 93 -41.906 -2.448 -3.227 1.00 15.11 H new ATOM 0 HB THR A 93 -42.332 -0.304 -4.197 1.00 51.14 H new ATOM 0 HG1 THR A 93 -43.124 1.460 -2.871 1.00 20.55 H new ATOM 0 HG21 THR A 93 -44.753 0.006 -3.844 1.00 32.22 H new ATOM 0 HG22 THR A 93 -44.322 -1.715 -3.978 1.00 32.22 H new ATOM 0 HG23 THR A 93 -44.664 -1.006 -2.383 1.00 32.22 H new ATOM 1421 N SER A 94 -40.129 -1.496 -0.976 1.00 41.23 N ATOM 1422 CA SER A 94 -38.809 -1.093 -0.506 1.00 71.52 C ATOM 1423 C SER A 94 -37.715 -1.680 -1.393 1.00 43.33 C ATOM 1424 O SER A 94 -37.976 -2.543 -2.232 1.00 3.02 O ATOM 1425 CB SER A 94 -38.601 -1.539 0.942 1.00 20.52 C ATOM 1426 OG SER A 94 -39.613 -1.017 1.787 1.00 2.23 O ATOM 0 H SER A 94 -40.652 -2.075 -0.319 1.00 41.23 H new ATOM 0 HA SER A 94 -38.749 -0.006 -0.555 1.00 71.52 H new ATOM 0 HB2 SER A 94 -38.605 -2.628 0.995 1.00 20.52 H new ATOM 0 HB3 SER A 94 -37.624 -1.206 1.291 1.00 20.52 H new ATOM 0 HG SER A 94 -39.458 -1.318 2.707 1.00 2.23 H new ATOM 1432 N LEU A 95 -36.489 -1.207 -1.201 1.00 11.13 N ATOM 1433 CA LEU A 95 -35.353 -1.683 -1.982 1.00 34.44 C ATOM 1434 C LEU A 95 -34.805 -2.985 -1.407 1.00 62.22 C ATOM 1435 O LEU A 95 -34.883 -3.225 -0.202 1.00 61.44 O ATOM 1436 CB LEU A 95 -34.250 -0.624 -2.015 1.00 53.31 C ATOM 1437 CG LEU A 95 -33.361 -0.542 -0.775 1.00 14.14 C ATOM 1438 CD1 LEU A 95 -32.158 -1.462 -0.919 1.00 71.33 C ATOM 1439 CD2 LEU A 95 -32.910 0.892 -0.534 1.00 61.44 C ATOM 0 H LEU A 95 -36.256 -0.493 -0.510 1.00 11.13 H new ATOM 0 HA LEU A 95 -35.697 -1.871 -2.999 1.00 34.44 H new ATOM 0 HB2 LEU A 95 -33.615 -0.816 -2.880 1.00 53.31 H new ATOM 0 HB3 LEU A 95 -34.714 0.350 -2.170 1.00 53.31 H new ATOM 0 HG LEU A 95 -33.943 -0.869 0.087 1.00 14.14 H new ATOM 0 HD11 LEU A 95 -31.536 -1.390 -0.027 1.00 71.33 H new ATOM 0 HD12 LEU A 95 -32.499 -2.490 -1.042 1.00 71.33 H new ATOM 0 HD13 LEU A 95 -31.576 -1.166 -1.792 1.00 71.33 H new ATOM 0 HD21 LEU A 95 -32.278 0.930 0.353 1.00 61.44 H new ATOM 0 HD22 LEU A 95 -32.346 1.246 -1.397 1.00 61.44 H new ATOM 0 HD23 LEU A 95 -33.783 1.528 -0.385 1.00 61.44 H new ATOM 1451 N ARG A 96 -34.249 -3.823 -2.277 1.00 22.20 N ATOM 1452 CA ARG A 96 -33.687 -5.100 -1.856 1.00 2.41 C ATOM 1453 C ARG A 96 -32.174 -4.997 -1.682 1.00 14.45 C ATOM 1454 O ARG A 96 -31.446 -4.721 -2.635 1.00 63.30 O ATOM 1455 CB ARG A 96 -34.021 -6.189 -2.876 1.00 44.25 C ATOM 1456 CG ARG A 96 -35.404 -6.792 -2.694 1.00 63.41 C ATOM 1457 CD ARG A 96 -35.473 -7.661 -1.448 1.00 52.41 C ATOM 1458 NE ARG A 96 -36.843 -7.819 -0.966 1.00 50.34 N ATOM 1459 CZ ARG A 96 -37.202 -8.715 -0.053 1.00 2.41 C ATOM 1460 NH1 ARG A 96 -36.298 -9.529 0.473 1.00 13.23 N1+ ATOM 1461 NH2 ARG A 96 -38.469 -8.798 0.335 1.00 2.33 N ATOM 0 H ARG A 96 -34.176 -3.640 -3.278 1.00 22.20 H new ATOM 0 HA ARG A 96 -34.129 -5.364 -0.895 1.00 2.41 H new ATOM 0 HB2 ARG A 96 -33.946 -5.770 -3.879 1.00 44.25 H new ATOM 0 HB3 ARG A 96 -33.276 -6.982 -2.805 1.00 44.25 H new ATOM 0 HG2 ARG A 96 -36.144 -5.994 -2.624 1.00 63.41 H new ATOM 0 HG3 ARG A 96 -35.660 -7.388 -3.570 1.00 63.41 H new ATOM 0 HD2 ARG A 96 -35.050 -8.642 -1.666 1.00 52.41 H new ATOM 0 HD3 ARG A 96 -34.861 -7.218 -0.662 1.00 52.41 H new ATOM 0 HE ARG A 96 -37.563 -7.208 -1.351 1.00 50.34 H new ATOM 0 HH11 ARG A 96 -35.324 -9.469 0.177 1.00 13.23 H new ATOM 0 HH12 ARG A 96 -36.577 -10.216 1.174 1.00 13.23 H new ATOM 0 HH21 ARG A 96 -39.168 -8.174 -0.068 1.00 2.33 H new ATOM 0 HH22 ARG A 96 -38.744 -9.486 1.036 1.00 2.33 H new ATOM 1475 N VAL A 97 -31.709 -5.223 -0.457 1.00 32.32 N ATOM 1476 CA VAL A 97 -30.284 -5.156 -0.157 1.00 32.11 C ATOM 1477 C VAL A 97 -29.635 -6.531 -0.264 1.00 2.42 C ATOM 1478 O VAL A 97 -30.138 -7.526 0.259 1.00 4.01 O ATOM 1479 CB VAL A 97 -30.033 -4.590 1.254 1.00 24.41 C ATOM 1480 CG1 VAL A 97 -28.680 -5.047 1.779 1.00 40.42 C ATOM 1481 CG2 VAL A 97 -30.123 -3.072 1.243 1.00 52.15 C ATOM 0 H VAL A 97 -32.298 -5.454 0.343 1.00 32.32 H new ATOM 0 HA VAL A 97 -29.837 -4.488 -0.893 1.00 32.11 H new ATOM 0 HB VAL A 97 -30.805 -4.972 1.922 1.00 24.41 H new ATOM 0 HG11 VAL A 97 -28.520 -4.638 2.776 1.00 40.42 H new ATOM 0 HG12 VAL A 97 -28.657 -6.136 1.825 1.00 40.42 H new ATOM 0 HG13 VAL A 97 -27.893 -4.695 1.112 1.00 40.42 H new ATOM 0 HG21 VAL A 97 -29.943 -2.690 2.248 1.00 52.15 H new ATOM 0 HG22 VAL A 97 -29.374 -2.668 0.562 1.00 52.15 H new ATOM 0 HG23 VAL A 97 -31.116 -2.769 0.912 1.00 52.15 H new ATOM 1491 N PRO A 98 -28.489 -6.593 -0.959 1.00 12.13 N ATOM 1492 CA PRO A 98 -27.745 -7.841 -1.150 1.00 3.14 C ATOM 1493 C PRO A 98 -27.103 -8.338 0.140 1.00 31.21 C ATOM 1494 O PRO A 98 -26.931 -7.576 1.093 1.00 54.31 O ATOM 1495 CB PRO A 98 -26.669 -7.460 -2.171 1.00 5.32 C ATOM 1496 CG PRO A 98 -26.483 -5.992 -1.994 1.00 31.15 C ATOM 1497 CD PRO A 98 -27.831 -5.448 -1.610 1.00 23.22 C ATOM 0 HA PRO A 98 -28.393 -8.655 -1.476 1.00 3.14 H new ATOM 0 HB2 PRO A 98 -25.741 -8.002 -1.989 1.00 5.32 H new ATOM 0 HB3 PRO A 98 -26.984 -7.700 -3.187 1.00 5.32 H new ATOM 0 HG2 PRO A 98 -25.743 -5.783 -1.222 1.00 31.15 H new ATOM 0 HG3 PRO A 98 -26.123 -5.530 -2.914 1.00 31.15 H new ATOM 0 HD2 PRO A 98 -27.743 -4.598 -0.934 1.00 23.22 H new ATOM 0 HD3 PRO A 98 -28.389 -5.106 -2.481 1.00 23.22 H new ATOM 1505 N HIS A 99 -26.751 -9.619 0.166 1.00 2.03 N ATOM 1506 CA HIS A 99 -26.127 -10.217 1.342 1.00 40.20 C ATOM 1507 C HIS A 99 -24.755 -9.601 1.600 1.00 23.32 C ATOM 1508 O HIS A 99 -23.881 -9.623 0.736 1.00 3.54 O ATOM 1509 CB HIS A 99 -25.994 -11.730 1.160 1.00 10.22 C ATOM 1510 CG HIS A 99 -25.245 -12.121 -0.076 1.00 63.35 C ATOM 1511 ND1 HIS A 99 -23.880 -12.321 -0.098 1.00 22.30 N ATOM 1512 CD2 HIS A 99 -25.678 -12.351 -1.338 1.00 12.11 C ATOM 1513 CE1 HIS A 99 -23.507 -12.655 -1.320 1.00 51.45 C ATOM 1514 NE2 HIS A 99 -24.578 -12.681 -2.092 1.00 54.33 N ATOM 0 H HIS A 99 -26.887 -10.263 -0.613 1.00 2.03 H new ATOM 0 HA HIS A 99 -26.764 -10.017 2.204 1.00 40.20 H new ATOM 0 HB2 HIS A 99 -25.488 -12.149 2.030 1.00 10.22 H new ATOM 0 HB3 HIS A 99 -26.990 -12.173 1.127 1.00 10.22 H new ATOM 0 HD2 HIS A 99 -26.698 -12.287 -1.687 1.00 12.11 H new ATOM 0 HE1 HIS A 99 -22.497 -12.870 -1.635 1.00 51.45 H new ATOM 0 HE2 HIS A 99 -24.587 -12.909 -3.086 1.00 54.33 H new ATOM 1522 N GLY A 100 -24.576 -9.050 2.798 1.00 52.11 N ATOM 1523 CA GLY A 100 -23.309 -8.435 3.148 1.00 34.40 C ATOM 1524 C GLY A 100 -23.227 -6.987 2.710 1.00 32.53 C ATOM 1525 O GLY A 100 -22.879 -6.110 3.500 1.00 13.43 O ATOM 0 H GLY A 100 -25.285 -9.019 3.531 1.00 52.11 H new ATOM 0 HA2 GLY A 100 -23.166 -8.494 4.227 1.00 34.40 H new ATOM 0 HA3 GLY A 100 -22.496 -8.997 2.688 1.00 34.40 H new ATOM 1529 N GLY A 101 -23.545 -6.735 1.443 1.00 3.44 N ATOM 1530 CA GLY A 101 -23.497 -5.382 0.922 1.00 63.32 C ATOM 1531 C GLY A 101 -22.106 -4.983 0.471 1.00 13.11 C ATOM 1532 O GLY A 101 -21.947 -4.275 -0.522 1.00 41.12 O ATOM 0 H GLY A 101 -23.835 -7.444 0.769 1.00 3.44 H new ATOM 0 HA2 GLY A 101 -24.187 -5.295 0.082 1.00 63.32 H new ATOM 0 HA3 GLY A 101 -23.840 -4.688 1.690 1.00 63.32 H new ATOM 1536 N GLY A 102 -21.095 -5.437 1.205 1.00 35.30 N ATOM 1537 CA GLY A 102 -19.723 -5.112 0.861 1.00 42.33 C ATOM 1538 C GLY A 102 -19.145 -4.026 1.746 1.00 11.11 C ATOM 1539 O GLY A 102 -17.977 -4.084 2.129 1.00 65.03 O ATOM 0 H GLY A 102 -21.202 -6.024 2.032 1.00 35.30 H new ATOM 0 HA2 GLY A 102 -19.109 -6.009 0.943 1.00 42.33 H new ATOM 0 HA3 GLY A 102 -19.679 -4.790 -0.179 1.00 42.33 H new ATOM 1543 N GLY A 103 -19.964 -3.032 2.074 1.00 42.51 N ATOM 1544 CA GLY A 103 -19.509 -1.942 2.916 1.00 70.24 C ATOM 1545 C GLY A 103 -20.488 -1.620 4.028 1.00 14.31 C ATOM 1546 O GLY A 103 -21.327 -2.448 4.383 1.00 75.45 O ATOM 0 H GLY A 103 -20.936 -2.962 1.771 1.00 42.51 H new ATOM 0 HA2 GLY A 103 -18.543 -2.201 3.350 1.00 70.24 H new ATOM 0 HA3 GLY A 103 -19.355 -1.054 2.303 1.00 70.24 H new ATOM 1550 N ILE A 104 -20.380 -0.416 4.578 1.00 10.42 N ATOM 1551 CA ILE A 104 -21.263 0.013 5.656 1.00 73.30 C ATOM 1552 C ILE A 104 -21.889 1.369 5.349 1.00 61.32 C ATOM 1553 O ILE A 104 -21.277 2.210 4.688 1.00 74.25 O ATOM 1554 CB ILE A 104 -20.512 0.099 6.999 1.00 31.42 C ATOM 1555 CG1 ILE A 104 -19.883 -1.252 7.344 1.00 73.31 C ATOM 1556 CG2 ILE A 104 -21.455 0.549 8.105 1.00 75.13 C ATOM 1557 CD1 ILE A 104 -18.958 -1.201 8.539 1.00 42.35 C ATOM 0 H ILE A 104 -19.690 0.280 4.295 1.00 10.42 H new ATOM 0 HA ILE A 104 -22.050 -0.737 5.736 1.00 73.30 H new ATOM 0 HB ILE A 104 -19.714 0.836 6.906 1.00 31.42 H new ATOM 0 HG12 ILE A 104 -20.676 -1.973 7.540 1.00 73.31 H new ATOM 0 HG13 ILE A 104 -19.327 -1.616 6.480 1.00 73.31 H new ATOM 0 HG21 ILE A 104 -20.910 0.605 9.047 1.00 75.13 H new ATOM 0 HG22 ILE A 104 -21.860 1.531 7.861 1.00 75.13 H new ATOM 0 HG23 ILE A 104 -22.272 -0.166 8.200 1.00 75.13 H new ATOM 0 HD11 ILE A 104 -18.549 -2.194 8.725 1.00 42.35 H new ATOM 0 HD12 ILE A 104 -18.144 -0.504 8.339 1.00 42.35 H new ATOM 0 HD13 ILE A 104 -19.514 -0.868 9.415 1.00 42.35 H new ATOM 1569 N ILE A 105 -23.108 1.575 5.832 1.00 72.41 N ATOM 1570 CA ILE A 105 -23.815 2.831 5.611 1.00 11.13 C ATOM 1571 C ILE A 105 -23.101 3.992 6.295 1.00 43.31 C ATOM 1572 O ILE A 105 -23.205 4.171 7.509 1.00 71.54 O ATOM 1573 CB ILE A 105 -25.265 2.759 6.128 1.00 21.24 C ATOM 1574 CG1 ILE A 105 -25.970 1.525 5.562 1.00 33.43 C ATOM 1575 CG2 ILE A 105 -26.022 4.025 5.757 1.00 13.51 C ATOM 1576 CD1 ILE A 105 -26.142 1.562 4.060 1.00 11.11 C ATOM 0 H ILE A 105 -23.628 0.889 6.379 1.00 72.41 H new ATOM 0 HA ILE A 105 -23.829 3.000 4.534 1.00 11.13 H new ATOM 0 HB ILE A 105 -25.245 2.676 7.215 1.00 21.24 H new ATOM 0 HG12 ILE A 105 -25.401 0.636 5.832 1.00 33.43 H new ATOM 0 HG13 ILE A 105 -26.950 1.430 6.029 1.00 33.43 H new ATOM 0 HG21 ILE A 105 -27.045 3.960 6.129 1.00 13.51 H new ATOM 0 HG22 ILE A 105 -25.528 4.888 6.203 1.00 13.51 H new ATOM 0 HG23 ILE A 105 -26.037 4.136 4.673 1.00 13.51 H new ATOM 0 HD11 ILE A 105 -26.649 0.656 3.729 1.00 11.11 H new ATOM 0 HD12 ILE A 105 -26.737 2.432 3.783 1.00 11.11 H new ATOM 0 HD13 ILE A 105 -25.164 1.625 3.583 1.00 11.11 H new ATOM 1588 N HIS A 106 -22.376 4.779 5.508 1.00 44.11 N ATOM 1589 CA HIS A 106 -21.645 5.926 6.036 1.00 34.34 C ATOM 1590 C HIS A 106 -22.350 7.231 5.680 1.00 52.02 C ATOM 1591 O HIS A 106 -22.116 8.265 6.307 1.00 2.51 O ATOM 1592 CB HIS A 106 -20.215 5.940 5.492 1.00 22.33 C ATOM 1593 CG HIS A 106 -19.286 6.816 6.277 1.00 1.11 C ATOM 1594 ND1 HIS A 106 -19.514 7.170 7.590 1.00 2.12 N ATOM 1595 CD2 HIS A 106 -18.121 7.408 5.925 1.00 44.21 C ATOM 1596 CE1 HIS A 106 -18.529 7.944 8.011 1.00 70.15 C ATOM 1597 NE2 HIS A 106 -17.671 8.103 7.020 1.00 4.01 N ATOM 0 H HIS A 106 -22.278 4.644 4.502 1.00 44.11 H new ATOM 0 HA HIS A 106 -21.612 5.836 7.122 1.00 34.34 H new ATOM 0 HB2 HIS A 106 -19.826 4.922 5.489 1.00 22.33 H new ATOM 0 HB3 HIS A 106 -20.232 6.278 4.456 1.00 22.33 H new ATOM 0 HD2 HIS A 106 -17.636 7.345 4.962 1.00 44.21 H new ATOM 0 HE1 HIS A 106 -18.441 8.374 8.998 1.00 70.15 H new ATOM 0 HE2 HIS A 106 -16.813 8.653 7.061 1.00 4.01 H new ATOM 1605 N ASP A 107 -23.213 7.175 4.671 1.00 2.53 N ATOM 1606 CA ASP A 107 -23.954 8.352 4.233 1.00 2.33 C ATOM 1607 C ASP A 107 -25.322 7.960 3.684 1.00 53.53 C ATOM 1608 O ASP A 107 -25.488 6.881 3.115 1.00 42.21 O ATOM 1609 CB ASP A 107 -23.161 9.112 3.169 1.00 13.01 C ATOM 1610 CG ASP A 107 -22.981 10.577 3.516 1.00 51.05 C ATOM 1611 OD1 ASP A 107 -22.832 10.887 4.717 1.00 40.31 O ATOM 1612 OD2 ASP A 107 -22.988 11.412 2.588 1.00 71.12 O1- ATOM 0 H ASP A 107 -23.416 6.327 4.141 1.00 2.53 H new ATOM 0 HA ASP A 107 -24.102 9.000 5.096 1.00 2.33 H new ATOM 0 HB2 ASP A 107 -22.182 8.647 3.049 1.00 13.01 H new ATOM 0 HB3 ASP A 107 -23.673 9.029 2.210 1.00 13.01 H new ATOM 1617 N VAL A 108 -26.299 8.845 3.857 1.00 40.23 N ATOM 1618 CA VAL A 108 -27.653 8.591 3.378 1.00 11.03 C ATOM 1619 C VAL A 108 -28.362 9.893 3.023 1.00 62.13 C ATOM 1620 O VAL A 108 -28.510 10.782 3.862 1.00 23.34 O ATOM 1621 CB VAL A 108 -28.487 7.835 4.429 1.00 20.20 C ATOM 1622 CG1 VAL A 108 -29.908 7.619 3.929 1.00 12.41 C ATOM 1623 CG2 VAL A 108 -27.829 6.509 4.777 1.00 33.40 C ATOM 0 H VAL A 108 -26.178 9.743 4.325 1.00 40.23 H new ATOM 0 HA VAL A 108 -27.563 7.974 2.484 1.00 11.03 H new ATOM 0 HB VAL A 108 -28.534 8.440 5.334 1.00 20.20 H new ATOM 0 HG11 VAL A 108 -30.482 7.083 4.685 1.00 12.41 H new ATOM 0 HG12 VAL A 108 -30.376 8.584 3.734 1.00 12.41 H new ATOM 0 HG13 VAL A 108 -29.885 7.035 3.009 1.00 12.41 H new ATOM 0 HG21 VAL A 108 -28.432 5.988 5.521 1.00 33.40 H new ATOM 0 HG22 VAL A 108 -27.750 5.895 3.880 1.00 33.40 H new ATOM 0 HG23 VAL A 108 -26.833 6.692 5.180 1.00 33.40 H new ATOM 1633 N LYS A 109 -28.800 10.000 1.773 1.00 73.05 N ATOM 1634 CA LYS A 109 -29.497 11.192 1.305 1.00 64.22 C ATOM 1635 C LYS A 109 -31.004 10.962 1.267 1.00 55.52 C ATOM 1636 O LYS A 109 -31.468 9.879 0.912 1.00 53.24 O ATOM 1637 CB LYS A 109 -28.995 11.587 -0.086 1.00 5.12 C ATOM 1638 CG LYS A 109 -27.838 12.571 -0.058 1.00 4.01 C ATOM 1639 CD LYS A 109 -28.329 14.009 -0.055 1.00 43.23 C ATOM 1640 CE LYS A 109 -27.342 14.933 0.642 1.00 25.43 C ATOM 1641 NZ LYS A 109 -27.692 16.367 0.448 1.00 11.23 N1+ ATOM 0 H LYS A 109 -28.684 9.275 1.065 1.00 73.05 H new ATOM 0 HA LYS A 109 -29.289 12.002 2.004 1.00 64.22 H new ATOM 0 HB2 LYS A 109 -28.684 10.689 -0.620 1.00 5.12 H new ATOM 0 HB3 LYS A 109 -29.819 12.024 -0.650 1.00 5.12 H new ATOM 0 HG2 LYS A 109 -27.228 12.392 0.828 1.00 4.01 H new ATOM 0 HG3 LYS A 109 -27.198 12.406 -0.925 1.00 4.01 H new ATOM 0 HD2 LYS A 109 -28.481 14.345 -1.081 1.00 43.23 H new ATOM 0 HD3 LYS A 109 -29.296 14.064 0.445 1.00 43.23 H new ATOM 0 HE2 LYS A 109 -27.322 14.705 1.708 1.00 25.43 H new ATOM 0 HE3 LYS A 109 -26.339 14.749 0.258 1.00 25.43 H new ATOM 0 HZ1 LYS A 109 -26.995 16.964 0.938 1.00 11.23 H new ATOM 0 HZ2 LYS A 109 -27.686 16.591 -0.567 1.00 11.23 H new ATOM 0 HZ3 LYS A 109 -28.639 16.549 0.838 1.00 11.23 H new ATOM 1655 N VAL A 110 -31.765 11.988 1.634 1.00 33.40 N ATOM 1656 CA VAL A 110 -33.219 11.898 1.639 1.00 62.24 C ATOM 1657 C VAL A 110 -33.854 13.238 1.280 1.00 62.33 C ATOM 1658 O VAL A 110 -33.558 14.262 1.895 1.00 72.31 O ATOM 1659 CB VAL A 110 -33.749 11.444 3.011 1.00 4.52 C ATOM 1660 CG1 VAL A 110 -33.301 12.404 4.102 1.00 44.34 C ATOM 1661 CG2 VAL A 110 -35.265 11.323 2.985 1.00 54.34 C ATOM 0 H VAL A 110 -31.398 12.892 1.932 1.00 33.40 H new ATOM 0 HA VAL A 110 -33.492 11.156 0.889 1.00 62.24 H new ATOM 0 HB VAL A 110 -33.334 10.461 3.233 1.00 4.52 H new ATOM 0 HG11 VAL A 110 -33.686 12.066 5.064 1.00 44.34 H new ATOM 0 HG12 VAL A 110 -32.212 12.433 4.136 1.00 44.34 H new ATOM 0 HG13 VAL A 110 -33.684 13.402 3.888 1.00 44.34 H new ATOM 0 HG21 VAL A 110 -35.621 11.001 3.964 1.00 54.34 H new ATOM 0 HG22 VAL A 110 -35.703 12.290 2.740 1.00 54.34 H new ATOM 0 HG23 VAL A 110 -35.559 10.591 2.233 1.00 54.34 H new ATOM 1671 N PHE A 111 -34.731 13.223 0.282 1.00 31.14 N ATOM 1672 CA PHE A 111 -35.407 14.437 -0.160 1.00 61.30 C ATOM 1673 C PHE A 111 -36.920 14.305 -0.001 1.00 14.04 C ATOM 1674 O PHE A 111 -37.478 13.218 -0.153 1.00 54.20 O ATOM 1675 CB PHE A 111 -35.061 14.737 -1.620 1.00 25.34 C ATOM 1676 CG PHE A 111 -33.596 14.611 -1.926 1.00 21.54 C ATOM 1677 CD1 PHE A 111 -32.659 15.331 -1.203 1.00 61.01 C ATOM 1678 CD2 PHE A 111 -33.157 13.773 -2.938 1.00 34.24 C ATOM 1679 CE1 PHE A 111 -31.311 15.217 -1.483 1.00 62.23 C ATOM 1680 CE2 PHE A 111 -31.809 13.655 -3.223 1.00 44.30 C ATOM 1681 CZ PHE A 111 -30.884 14.377 -2.494 1.00 45.00 C ATOM 0 H PHE A 111 -34.990 12.383 -0.236 1.00 31.14 H new ATOM 0 HA PHE A 111 -35.063 15.262 0.464 1.00 61.30 H new ATOM 0 HB2 PHE A 111 -35.619 14.057 -2.264 1.00 25.34 H new ATOM 0 HB3 PHE A 111 -35.389 15.748 -1.863 1.00 25.34 H new ATOM 0 HD1 PHE A 111 -32.986 15.989 -0.411 1.00 61.01 H new ATOM 0 HD2 PHE A 111 -33.876 13.206 -3.511 1.00 34.24 H new ATOM 0 HE1 PHE A 111 -30.591 15.784 -0.912 1.00 62.23 H new ATOM 0 HE2 PHE A 111 -31.480 12.999 -4.015 1.00 44.30 H new ATOM 0 HZ PHE A 111 -29.831 14.285 -2.713 1.00 45.00 H new ATOM 1691 N ASN A 112 -37.576 15.418 0.307 1.00 50.25 N ATOM 1692 CA ASN A 112 -39.023 15.428 0.488 1.00 72.43 C ATOM 1693 C ASN A 112 -39.668 16.532 -0.345 1.00 13.34 C ATOM 1694 O ASN A 112 -39.115 17.623 -0.482 1.00 60.11 O ATOM 1695 CB ASN A 112 -39.372 15.617 1.965 1.00 64.11 C ATOM 1696 CG ASN A 112 -40.731 15.042 2.317 1.00 42.02 C ATOM 1697 OD1 ASN A 112 -41.279 14.223 1.580 1.00 74.51 O ATOM 1698 ND2 ASN A 112 -41.280 15.471 3.447 1.00 45.40 N ATOM 0 H ASN A 112 -37.129 16.325 0.437 1.00 50.25 H new ATOM 0 HA ASN A 112 -39.413 14.468 0.150 1.00 72.43 H new ATOM 0 HB2 ASN A 112 -38.609 15.140 2.580 1.00 64.11 H new ATOM 0 HB3 ASN A 112 -39.357 16.680 2.206 1.00 64.11 H new ATOM 0 HD21 ASN A 112 -42.193 15.120 3.736 1.00 45.40 H new ATOM 0 HD22 ASN A 112 -40.788 16.151 4.027 1.00 45.40 H new ATOM 1705 N ARG A 113 -40.841 16.241 -0.896 1.00 20.34 N ATOM 1706 CA ARG A 113 -41.562 17.208 -1.715 1.00 53.42 C ATOM 1707 C ARG A 113 -41.963 18.427 -0.889 1.00 54.43 C ATOM 1708 O ARG A 113 -41.995 19.548 -1.396 1.00 33.44 O ATOM 1709 CB ARG A 113 -42.805 16.563 -2.330 1.00 52.52 C ATOM 1710 CG ARG A 113 -43.740 15.942 -1.304 1.00 1.01 C ATOM 1711 CD ARG A 113 -45.030 15.458 -1.946 1.00 10.22 C ATOM 1712 NE ARG A 113 -46.092 15.267 -0.963 1.00 43.12 N ATOM 1713 CZ ARG A 113 -47.378 15.156 -1.282 1.00 21.52 C ATOM 1714 NH1 ARG A 113 -47.757 15.217 -2.550 1.00 31.21 N1+ ATOM 1715 NH2 ARG A 113 -48.285 14.983 -0.330 1.00 54.41 N ATOM 0 H ARG A 113 -41.313 15.343 -0.790 1.00 20.34 H new ATOM 0 HA ARG A 113 -40.898 17.535 -2.516 1.00 53.42 H new ATOM 0 HB2 ARG A 113 -43.351 17.316 -2.898 1.00 52.52 H new ATOM 0 HB3 ARG A 113 -42.493 15.794 -3.037 1.00 52.52 H new ATOM 0 HG2 ARG A 113 -43.240 15.106 -0.814 1.00 1.01 H new ATOM 0 HG3 ARG A 113 -43.970 16.674 -0.530 1.00 1.01 H new ATOM 0 HD2 ARG A 113 -45.355 16.180 -2.695 1.00 10.22 H new ATOM 0 HD3 ARG A 113 -44.845 14.519 -2.467 1.00 10.22 H new ATOM 0 HE ARG A 113 -45.833 15.216 0.022 1.00 43.12 H new ATOM 0 HH11 ARG A 113 -47.062 15.349 -3.284 1.00 31.21 H new ATOM 0 HH12 ARG A 113 -48.744 15.132 -2.792 1.00 31.21 H new ATOM 0 HH21 ARG A 113 -47.996 14.935 0.647 1.00 54.41 H new ATOM 0 HH22 ARG A 113 -49.272 14.898 -0.575 1.00 54.41 H new ATOM 1729 N GLU A 114 -42.270 18.197 0.384 1.00 1.14 N ATOM 1730 CA GLU A 114 -42.671 19.277 1.278 1.00 4.11 C ATOM 1731 C GLU A 114 -41.574 20.334 1.382 1.00 41.23 C ATOM 1732 O GLU A 114 -41.850 21.506 1.637 1.00 33.03 O ATOM 1733 CB GLU A 114 -42.995 18.724 2.668 1.00 54.33 C ATOM 1734 CG GLU A 114 -44.216 17.823 2.695 1.00 44.41 C ATOM 1735 CD GLU A 114 -44.658 17.479 4.105 1.00 52.21 C ATOM 1736 OE1 GLU A 114 -44.804 18.411 4.923 1.00 71.42 O ATOM 1737 OE2 GLU A 114 -44.856 16.280 4.389 1.00 73.01 O1- ATOM 0 H GLU A 114 -42.249 17.274 0.819 1.00 1.14 H new ATOM 0 HA GLU A 114 -43.564 19.745 0.863 1.00 4.11 H new ATOM 0 HB2 GLU A 114 -42.134 18.166 3.038 1.00 54.33 H new ATOM 0 HB3 GLU A 114 -43.153 19.557 3.353 1.00 54.33 H new ATOM 0 HG2 GLU A 114 -45.036 18.314 2.171 1.00 44.41 H new ATOM 0 HG3 GLU A 114 -43.996 16.903 2.153 1.00 44.41 H new ATOM 1744 N ASP A 115 -40.332 19.909 1.182 1.00 61.31 N ATOM 1745 CA ASP A 115 -39.193 20.817 1.252 1.00 32.24 C ATOM 1746 C ASP A 115 -39.138 21.716 0.020 1.00 43.43 C ATOM 1747 O ASP A 115 -38.513 22.775 0.039 1.00 43.12 O ATOM 1748 CB ASP A 115 -37.890 20.028 1.381 1.00 53.53 C ATOM 1749 CG ASP A 115 -36.713 20.909 1.752 1.00 13.43 C ATOM 1750 OD1 ASP A 115 -36.849 21.715 2.695 1.00 74.43 O ATOM 1751 OD2 ASP A 115 -35.655 20.791 1.099 1.00 32.32 O1- ATOM 0 H ASP A 115 -40.088 18.942 0.970 1.00 61.31 H new ATOM 0 HA ASP A 115 -39.316 21.446 2.134 1.00 32.24 H new ATOM 0 HB2 ASP A 115 -38.012 19.252 2.137 1.00 53.53 H new ATOM 0 HB3 ASP A 115 -37.679 19.524 0.438 1.00 53.53 H new ATOM 1756 N GLY A 116 -39.795 21.283 -1.051 1.00 54.51 N ATOM 1757 CA GLY A 116 -39.807 22.058 -2.278 1.00 23.20 C ATOM 1758 C GLY A 116 -38.967 21.428 -3.371 1.00 2.22 C ATOM 1759 O GLY A 116 -38.575 22.097 -4.327 1.00 55.14 O ATOM 0 H GLY A 116 -40.319 20.409 -1.091 1.00 54.51 H new ATOM 0 HA2 GLY A 116 -40.834 22.162 -2.628 1.00 23.20 H new ATOM 0 HA3 GLY A 116 -39.437 23.062 -2.073 1.00 23.20 H new ATOM 1763 N ASP A 117 -38.688 20.136 -3.230 1.00 71.14 N ATOM 1764 CA ASP A 117 -37.889 19.415 -4.214 1.00 22.33 C ATOM 1765 C ASP A 117 -38.779 18.774 -5.274 1.00 23.13 C ATOM 1766 O ASP A 117 -39.479 17.800 -5.002 1.00 55.15 O ATOM 1767 CB ASP A 117 -37.042 18.344 -3.526 1.00 15.40 C ATOM 1768 CG ASP A 117 -36.041 18.933 -2.551 1.00 11.35 C ATOM 1769 OD1 ASP A 117 -35.188 19.734 -2.988 1.00 73.13 O ATOM 1770 OD2 ASP A 117 -36.113 18.595 -1.352 1.00 42.23 O1- ATOM 0 H ASP A 117 -39.003 19.567 -2.444 1.00 71.14 H new ATOM 0 HA ASP A 117 -37.229 20.130 -4.705 1.00 22.33 H new ATOM 0 HB2 ASP A 117 -37.697 17.652 -2.996 1.00 15.40 H new ATOM 0 HB3 ASP A 117 -36.511 17.765 -4.281 1.00 15.40 H new ATOM 1775 N GLU A 118 -38.746 19.330 -6.481 1.00 12.24 N ATOM 1776 CA GLU A 118 -39.553 18.813 -7.581 1.00 23.12 C ATOM 1777 C GLU A 118 -39.217 17.352 -7.862 1.00 62.43 C ATOM 1778 O GLU A 118 -38.049 16.961 -7.866 1.00 43.24 O ATOM 1779 CB GLU A 118 -39.330 19.650 -8.843 1.00 34.24 C ATOM 1780 CG GLU A 118 -40.279 19.303 -9.978 1.00 62.21 C ATOM 1781 CD GLU A 118 -40.090 20.196 -11.189 1.00 42.54 C ATOM 1782 OE1 GLU A 118 -39.116 19.980 -11.940 1.00 52.30 O ATOM 1783 OE2 GLU A 118 -40.917 21.112 -11.385 1.00 0.43 O1- ATOM 0 H GLU A 118 -38.170 20.137 -6.722 1.00 12.24 H new ATOM 0 HA GLU A 118 -40.602 18.878 -7.290 1.00 23.12 H new ATOM 0 HB2 GLU A 118 -39.445 20.705 -8.594 1.00 34.24 H new ATOM 0 HB3 GLU A 118 -38.304 19.513 -9.184 1.00 34.24 H new ATOM 0 HG2 GLU A 118 -40.126 18.264 -10.270 1.00 62.21 H new ATOM 0 HG3 GLU A 118 -41.307 19.387 -9.626 1.00 62.21 H new ATOM 1790 N LEU A 119 -40.249 16.548 -8.094 1.00 53.45 N ATOM 1791 CA LEU A 119 -40.065 15.128 -8.375 1.00 44.14 C ATOM 1792 C LEU A 119 -40.844 14.714 -9.619 1.00 13.41 C ATOM 1793 O LEU A 119 -41.799 15.373 -10.032 1.00 3.34 O ATOM 1794 CB LEU A 119 -40.512 14.289 -7.176 1.00 54.15 C ATOM 1795 CG LEU A 119 -39.498 14.148 -6.040 1.00 4.14 C ATOM 1796 CD1 LEU A 119 -40.188 13.702 -4.761 1.00 75.22 C ATOM 1797 CD2 LEU A 119 -38.400 13.167 -6.426 1.00 64.10 C ATOM 0 H LEU A 119 -41.222 16.855 -8.093 1.00 53.45 H new ATOM 0 HA LEU A 119 -39.005 14.953 -8.558 1.00 44.14 H new ATOM 0 HB2 LEU A 119 -41.423 14.728 -6.770 1.00 54.15 H new ATOM 0 HB3 LEU A 119 -40.770 13.292 -7.532 1.00 54.15 H new ATOM 0 HG LEU A 119 -39.042 15.122 -5.861 1.00 4.14 H new ATOM 0 HD11 LEU A 119 -39.451 13.607 -3.964 1.00 75.22 H new ATOM 0 HD12 LEU A 119 -40.938 14.440 -4.476 1.00 75.22 H new ATOM 0 HD13 LEU A 119 -40.671 12.739 -4.925 1.00 75.22 H new ATOM 0 HD21 LEU A 119 -37.687 13.078 -5.607 1.00 64.10 H new ATOM 0 HD22 LEU A 119 -38.840 12.191 -6.632 1.00 64.10 H new ATOM 0 HD23 LEU A 119 -37.886 13.528 -7.317 1.00 64.10 H new ATOM 1809 N PRO A 120 -40.431 13.594 -10.231 1.00 20.10 N ATOM 1810 CA PRO A 120 -41.078 13.065 -11.435 1.00 0.40 C ATOM 1811 C PRO A 120 -42.470 12.512 -11.150 1.00 11.03 C ATOM 1812 O PRO A 120 -42.864 12.319 -9.999 1.00 42.43 O ATOM 1813 CB PRO A 120 -40.138 11.942 -11.879 1.00 45.01 C ATOM 1814 CG PRO A 120 -39.440 11.517 -10.633 1.00 75.10 C ATOM 1815 CD PRO A 120 -39.300 12.758 -9.793 1.00 64.30 C ATOM 0 HA PRO A 120 -41.228 13.837 -12.189 1.00 0.40 H new ATOM 0 HB2 PRO A 120 -40.692 11.115 -12.324 1.00 45.01 H new ATOM 0 HB3 PRO A 120 -39.430 12.292 -12.630 1.00 45.01 H new ATOM 0 HG2 PRO A 120 -40.011 10.752 -10.107 1.00 75.10 H new ATOM 0 HG3 PRO A 120 -38.464 11.087 -10.859 1.00 75.10 H new ATOM 0 HD2 PRO A 120 -39.356 12.531 -8.728 1.00 64.30 H new ATOM 0 HD3 PRO A 120 -38.344 13.253 -9.964 1.00 64.30 H new ATOM 1823 N PRO A 121 -43.235 12.251 -12.220 1.00 13.45 N ATOM 1824 CA PRO A 121 -44.595 11.716 -12.110 1.00 63.41 C ATOM 1825 C PRO A 121 -44.612 10.271 -11.623 1.00 74.12 C ATOM 1826 O PRO A 121 -44.015 9.390 -12.241 1.00 70.11 O ATOM 1827 CB PRO A 121 -45.128 11.803 -13.543 1.00 51.31 C ATOM 1828 CG PRO A 121 -43.912 11.764 -14.402 1.00 10.41 C ATOM 1829 CD PRO A 121 -42.831 12.457 -13.621 1.00 53.13 C ATOM 0 HA PRO A 121 -45.192 12.268 -11.384 1.00 63.41 H new ATOM 0 HB2 PRO A 121 -45.798 10.973 -13.767 1.00 51.31 H new ATOM 0 HB3 PRO A 121 -45.694 12.721 -13.700 1.00 51.31 H new ATOM 0 HG2 PRO A 121 -43.630 10.737 -14.632 1.00 10.41 H new ATOM 0 HG3 PRO A 121 -44.090 12.266 -15.353 1.00 10.41 H new ATOM 0 HD2 PRO A 121 -41.850 12.027 -13.824 1.00 53.13 H new ATOM 0 HD3 PRO A 121 -42.772 13.516 -13.870 1.00 53.13 H new ATOM 1837 N GLY A 122 -45.301 10.034 -10.510 1.00 43.21 N ATOM 1838 CA GLY A 122 -45.383 8.694 -9.960 1.00 45.50 C ATOM 1839 C GLY A 122 -44.546 8.530 -8.706 1.00 61.31 C ATOM 1840 O GLY A 122 -44.695 7.551 -7.975 1.00 64.21 O ATOM 0 H GLY A 122 -45.803 10.746 -9.980 1.00 43.21 H new ATOM 0 HA2 GLY A 122 -46.423 8.461 -9.732 1.00 45.50 H new ATOM 0 HA3 GLY A 122 -45.053 7.976 -10.710 1.00 45.50 H new ATOM 1844 N VAL A 123 -43.662 9.491 -8.456 1.00 20.12 N ATOM 1845 CA VAL A 123 -42.799 9.448 -7.283 1.00 30.11 C ATOM 1846 C VAL A 123 -43.268 10.435 -6.219 1.00 42.43 C ATOM 1847 O VAL A 123 -43.671 11.555 -6.532 1.00 35.02 O ATOM 1848 CB VAL A 123 -41.337 9.765 -7.650 1.00 72.33 C ATOM 1849 CG1 VAL A 123 -40.462 9.771 -6.405 1.00 14.23 C ATOM 1850 CG2 VAL A 123 -40.817 8.764 -8.671 1.00 34.10 C ATOM 0 H VAL A 123 -43.525 10.308 -9.051 1.00 20.12 H new ATOM 0 HA VAL A 123 -42.856 8.435 -6.886 1.00 30.11 H new ATOM 0 HB VAL A 123 -41.300 10.759 -8.096 1.00 72.33 H new ATOM 0 HG11 VAL A 123 -39.433 9.997 -6.685 1.00 14.23 H new ATOM 0 HG12 VAL A 123 -40.824 10.529 -5.710 1.00 14.23 H new ATOM 0 HG13 VAL A 123 -40.502 8.792 -5.928 1.00 14.23 H new ATOM 0 HG21 VAL A 123 -39.783 9.002 -8.920 1.00 34.10 H new ATOM 0 HG22 VAL A 123 -40.868 7.759 -8.253 1.00 34.10 H new ATOM 0 HG23 VAL A 123 -41.428 8.813 -9.573 1.00 34.10 H new ATOM 1860 N ASN A 124 -43.212 10.011 -4.961 1.00 33.12 N ATOM 1861 CA ASN A 124 -43.632 10.857 -3.850 1.00 53.53 C ATOM 1862 C ASN A 124 -42.426 11.353 -3.057 1.00 53.12 C ATOM 1863 O ASN A 124 -42.418 12.478 -2.560 1.00 73.13 O ATOM 1864 CB ASN A 124 -44.583 10.091 -2.929 1.00 43.21 C ATOM 1865 CG ASN A 124 -45.941 9.859 -3.563 1.00 42.43 C ATOM 1866 OD1 ASN A 124 -46.297 10.504 -4.549 1.00 73.31 O ATOM 1867 ND2 ASN A 124 -46.708 8.933 -2.997 1.00 3.04 N ATOM 0 H ASN A 124 -42.880 9.087 -4.685 1.00 33.12 H new ATOM 0 HA ASN A 124 -44.154 11.721 -4.261 1.00 53.53 H new ATOM 0 HB2 ASN A 124 -44.138 9.131 -2.669 1.00 43.21 H new ATOM 0 HB3 ASN A 124 -44.709 10.646 -1.999 1.00 43.21 H new ATOM 0 HD21 ASN A 124 -47.632 8.733 -3.379 1.00 3.04 H new ATOM 0 HD22 ASN A 124 -46.372 8.422 -2.180 1.00 3.04 H new ATOM 1874 N GLN A 125 -41.410 10.503 -2.944 1.00 42.31 N ATOM 1875 CA GLN A 125 -40.200 10.854 -2.211 1.00 61.22 C ATOM 1876 C GLN A 125 -38.965 10.269 -2.888 1.00 32.52 C ATOM 1877 O GLN A 125 -39.072 9.399 -3.755 1.00 3.53 O ATOM 1878 CB GLN A 125 -40.289 10.355 -0.768 1.00 74.32 C ATOM 1879 CG GLN A 125 -41.114 11.256 0.137 1.00 12.52 C ATOM 1880 CD GLN A 125 -42.346 10.563 0.683 1.00 12.21 C ATOM 1881 OE1 GLN A 125 -42.651 10.659 1.873 1.00 35.21 O ATOM 1882 NE2 GLN A 125 -43.065 9.860 -0.186 1.00 13.11 N ATOM 0 H GLN A 125 -41.401 9.567 -3.350 1.00 42.31 H new ATOM 0 HA GLN A 125 -40.110 11.940 -2.207 1.00 61.22 H new ATOM 0 HB2 GLN A 125 -40.723 9.355 -0.764 1.00 74.32 H new ATOM 0 HB3 GLN A 125 -39.282 10.268 -0.360 1.00 74.32 H new ATOM 0 HG2 GLN A 125 -40.495 11.596 0.967 1.00 12.52 H new ATOM 0 HG3 GLN A 125 -41.417 12.143 -0.419 1.00 12.52 H new ATOM 0 HE21 GLN A 125 -42.776 9.807 -1.163 1.00 13.11 H new ATOM 0 HE22 GLN A 125 -43.906 9.373 0.124 1.00 13.11 H new ATOM 1891 N LEU A 126 -37.793 10.751 -2.490 1.00 13.13 N ATOM 1892 CA LEU A 126 -36.537 10.275 -3.058 1.00 42.24 C ATOM 1893 C LEU A 126 -35.498 10.042 -1.965 1.00 22.01 C ATOM 1894 O LEU A 126 -35.302 10.885 -1.090 1.00 4.43 O ATOM 1895 CB LEU A 126 -36.002 11.283 -4.078 1.00 14.10 C ATOM 1896 CG LEU A 126 -34.980 10.746 -5.079 1.00 62.41 C ATOM 1897 CD1 LEU A 126 -33.664 10.432 -4.383 1.00 34.22 C ATOM 1898 CD2 LEU A 126 -35.521 9.510 -5.784 1.00 54.24 C ATOM 0 H LEU A 126 -37.686 11.471 -1.776 1.00 13.13 H new ATOM 0 HA LEU A 126 -36.730 9.326 -3.559 1.00 42.24 H new ATOM 0 HB2 LEU A 126 -36.847 11.690 -4.634 1.00 14.10 H new ATOM 0 HB3 LEU A 126 -35.548 12.113 -3.536 1.00 14.10 H new ATOM 0 HG LEU A 126 -34.796 11.516 -5.829 1.00 62.41 H new ATOM 0 HD11 LEU A 126 -32.949 10.051 -5.112 1.00 34.22 H new ATOM 0 HD12 LEU A 126 -33.268 11.339 -3.927 1.00 34.22 H new ATOM 0 HD13 LEU A 126 -33.831 9.681 -3.611 1.00 34.22 H new ATOM 0 HD21 LEU A 126 -34.780 9.142 -6.493 1.00 54.24 H new ATOM 0 HD22 LEU A 126 -35.735 8.735 -5.048 1.00 54.24 H new ATOM 0 HD23 LEU A 126 -36.436 9.767 -6.317 1.00 54.24 H new ATOM 1910 N VAL A 127 -34.834 8.892 -2.024 1.00 20.53 N ATOM 1911 CA VAL A 127 -33.813 8.549 -1.042 1.00 45.13 C ATOM 1912 C VAL A 127 -32.703 7.712 -1.671 1.00 1.10 C ATOM 1913 O VAL A 127 -32.970 6.778 -2.427 1.00 14.25 O ATOM 1914 CB VAL A 127 -34.413 7.774 0.146 1.00 20.41 C ATOM 1915 CG1 VAL A 127 -33.356 7.521 1.209 1.00 10.03 C ATOM 1916 CG2 VAL A 127 -35.599 8.529 0.730 1.00 54.52 C ATOM 0 H VAL A 127 -34.985 8.183 -2.741 1.00 20.53 H new ATOM 0 HA VAL A 127 -33.396 9.489 -0.680 1.00 45.13 H new ATOM 0 HB VAL A 127 -34.768 6.809 -0.215 1.00 20.41 H new ATOM 0 HG11 VAL A 127 -33.800 6.972 2.040 1.00 10.03 H new ATOM 0 HG12 VAL A 127 -32.542 6.936 0.781 1.00 10.03 H new ATOM 0 HG13 VAL A 127 -32.967 8.473 1.569 1.00 10.03 H new ATOM 0 HG21 VAL A 127 -36.011 7.967 1.568 1.00 54.52 H new ATOM 0 HG22 VAL A 127 -35.272 9.509 1.076 1.00 54.52 H new ATOM 0 HG23 VAL A 127 -36.365 8.652 -0.036 1.00 54.52 H new ATOM 1926 N ARG A 128 -31.460 8.055 -1.353 1.00 4.20 N ATOM 1927 CA ARG A 128 -30.309 7.336 -1.888 1.00 61.44 C ATOM 1928 C ARG A 128 -29.366 6.909 -0.767 1.00 20.05 C ATOM 1929 O ARG A 128 -29.108 7.670 0.165 1.00 44.24 O ATOM 1930 CB ARG A 128 -29.559 8.209 -2.895 1.00 53.24 C ATOM 1931 CG ARG A 128 -30.433 8.717 -4.030 1.00 2.30 C ATOM 1932 CD ARG A 128 -29.826 9.943 -4.695 1.00 44.25 C ATOM 1933 NE ARG A 128 -28.622 9.616 -5.452 1.00 42.20 N ATOM 1934 CZ ARG A 128 -27.944 10.502 -6.175 1.00 12.20 C ATOM 1935 NH1 ARG A 128 -28.351 11.762 -6.236 1.00 23.30 N1+ ATOM 1936 NH2 ARG A 128 -26.858 10.128 -6.838 1.00 64.11 N ATOM 0 H ARG A 128 -31.223 8.826 -0.728 1.00 4.20 H new ATOM 0 HA ARG A 128 -30.673 6.442 -2.393 1.00 61.44 H new ATOM 0 HB2 ARG A 128 -29.125 9.061 -2.372 1.00 53.24 H new ATOM 0 HB3 ARG A 128 -28.731 7.637 -3.313 1.00 53.24 H new ATOM 0 HG2 ARG A 128 -30.565 7.928 -4.770 1.00 2.30 H new ATOM 0 HG3 ARG A 128 -31.423 8.963 -3.646 1.00 2.30 H new ATOM 0 HD2 ARG A 128 -30.561 10.395 -5.361 1.00 44.25 H new ATOM 0 HD3 ARG A 128 -29.585 10.686 -3.935 1.00 44.25 H new ATOM 0 HE ARG A 128 -28.282 8.655 -5.425 1.00 42.20 H new ATOM 0 HH11 ARG A 128 -29.186 12.053 -5.728 1.00 23.30 H new ATOM 0 HH12 ARG A 128 -27.829 12.440 -6.791 1.00 23.30 H new ATOM 0 HH21 ARG A 128 -26.542 9.159 -6.794 1.00 64.11 H new ATOM 0 HH22 ARG A 128 -26.339 10.809 -7.392 1.00 64.11 H new ATOM 1950 N VAL A 129 -28.854 5.685 -0.866 1.00 61.44 N ATOM 1951 CA VAL A 129 -27.940 5.157 0.139 1.00 71.52 C ATOM 1952 C VAL A 129 -26.496 5.221 -0.344 1.00 13.23 C ATOM 1953 O VAL A 129 -26.226 5.128 -1.543 1.00 34.03 O ATOM 1954 CB VAL A 129 -28.284 3.700 0.501 1.00 44.32 C ATOM 1955 CG1 VAL A 129 -27.428 3.221 1.663 1.00 3.32 C ATOM 1956 CG2 VAL A 129 -29.763 3.568 0.829 1.00 62.34 C ATOM 0 H VAL A 129 -29.057 5.042 -1.631 1.00 61.44 H new ATOM 0 HA VAL A 129 -28.052 5.780 1.026 1.00 71.52 H new ATOM 0 HB VAL A 129 -28.068 3.070 -0.362 1.00 44.32 H new ATOM 0 HG11 VAL A 129 -27.686 2.190 1.904 1.00 3.32 H new ATOM 0 HG12 VAL A 129 -26.375 3.277 1.387 1.00 3.32 H new ATOM 0 HG13 VAL A 129 -27.609 3.853 2.533 1.00 3.32 H new ATOM 0 HG21 VAL A 129 -29.988 2.532 1.082 1.00 62.34 H new ATOM 0 HG22 VAL A 129 -30.007 4.210 1.676 1.00 62.34 H new ATOM 0 HG23 VAL A 129 -30.356 3.867 -0.036 1.00 62.34 H new ATOM 1966 N TYR A 130 -25.570 5.381 0.595 1.00 2.33 N ATOM 1967 CA TYR A 130 -24.152 5.459 0.264 1.00 2.11 C ATOM 1968 C TYR A 130 -23.342 4.472 1.098 1.00 50.21 C ATOM 1969 O TYR A 130 -23.307 4.562 2.326 1.00 35.14 O ATOM 1970 CB TYR A 130 -23.632 6.880 0.488 1.00 54.22 C ATOM 1971 CG TYR A 130 -24.177 7.888 -0.498 1.00 50.10 C ATOM 1972 CD1 TYR A 130 -25.530 8.201 -0.524 1.00 41.25 C ATOM 1973 CD2 TYR A 130 -23.340 8.525 -1.405 1.00 64.34 C ATOM 1974 CE1 TYR A 130 -26.034 9.121 -1.424 1.00 42.45 C ATOM 1975 CE2 TYR A 130 -23.834 9.447 -2.307 1.00 13.34 C ATOM 1976 CZ TYR A 130 -25.181 9.742 -2.314 1.00 23.14 C ATOM 1977 OH TYR A 130 -25.677 10.658 -3.212 1.00 43.15 O ATOM 0 H TYR A 130 -25.776 5.459 1.591 1.00 2.33 H new ATOM 0 HA TYR A 130 -24.036 5.198 -0.788 1.00 2.11 H new ATOM 0 HB2 TYR A 130 -23.890 7.197 1.498 1.00 54.22 H new ATOM 0 HB3 TYR A 130 -22.544 6.874 0.424 1.00 54.22 H new ATOM 0 HD1 TYR A 130 -26.200 7.717 0.171 1.00 41.25 H new ATOM 0 HD2 TYR A 130 -22.285 8.295 -1.405 1.00 64.34 H new ATOM 0 HE1 TYR A 130 -27.089 9.353 -1.431 1.00 42.45 H new ATOM 0 HE2 TYR A 130 -23.168 9.935 -3.004 1.00 13.34 H new ATOM 0 HH TYR A 130 -24.945 11.003 -3.765 1.00 43.15 H new ATOM 1987 N ILE A 131 -22.692 3.530 0.422 1.00 62.14 N ATOM 1988 CA ILE A 131 -21.881 2.526 1.101 1.00 14.52 C ATOM 1989 C ILE A 131 -20.434 2.574 0.622 1.00 32.22 C ATOM 1990 O ILE A 131 -20.155 2.401 -0.564 1.00 50.11 O ATOM 1991 CB ILE A 131 -22.437 1.107 0.876 1.00 53.44 C ATOM 1992 CG1 ILE A 131 -23.688 0.887 1.730 1.00 75.34 C ATOM 1993 CG2 ILE A 131 -21.377 0.066 1.200 1.00 74.22 C ATOM 1994 CD1 ILE A 131 -24.978 0.967 0.944 1.00 41.20 C ATOM 0 H ILE A 131 -22.711 3.441 -0.594 1.00 62.14 H new ATOM 0 HA ILE A 131 -21.918 2.757 2.166 1.00 14.52 H new ATOM 0 HB ILE A 131 -22.712 1.001 -0.173 1.00 53.44 H new ATOM 0 HG12 ILE A 131 -23.624 -0.090 2.209 1.00 75.34 H new ATOM 0 HG13 ILE A 131 -23.710 1.631 2.526 1.00 75.34 H new ATOM 0 HG21 ILE A 131 -21.785 -0.932 1.036 1.00 74.22 H new ATOM 0 HG22 ILE A 131 -20.512 0.215 0.554 1.00 74.22 H new ATOM 0 HG23 ILE A 131 -21.074 0.167 2.242 1.00 74.22 H new ATOM 0 HD11 ILE A 131 -25.823 0.801 1.613 1.00 41.20 H new ATOM 0 HD12 ILE A 131 -25.065 1.953 0.487 1.00 41.20 H new ATOM 0 HD13 ILE A 131 -24.977 0.205 0.165 1.00 41.20 H new ATOM 2006 N VAL A 132 -19.515 2.807 1.554 1.00 41.23 N ATOM 2007 CA VAL A 132 -18.095 2.874 1.228 1.00 34.34 C ATOM 2008 C VAL A 132 -17.428 1.515 1.399 1.00 0.01 C ATOM 2009 O VAL A 132 -17.634 0.834 2.403 1.00 51.31 O ATOM 2010 CB VAL A 132 -17.367 3.907 2.109 1.00 61.21 C ATOM 2011 CG1 VAL A 132 -17.974 5.289 1.926 1.00 1.22 C ATOM 2012 CG2 VAL A 132 -17.410 3.486 3.570 1.00 73.24 C ATOM 0 H VAL A 132 -19.728 2.953 2.541 1.00 41.23 H new ATOM 0 HA VAL A 132 -18.022 3.181 0.185 1.00 34.34 H new ATOM 0 HB VAL A 132 -16.323 3.952 1.798 1.00 61.21 H new ATOM 0 HG11 VAL A 132 -17.446 6.005 2.557 1.00 1.22 H new ATOM 0 HG12 VAL A 132 -17.885 5.590 0.882 1.00 1.22 H new ATOM 0 HG13 VAL A 132 -19.027 5.264 2.208 1.00 1.22 H new ATOM 0 HG21 VAL A 132 -16.891 4.227 4.178 1.00 73.24 H new ATOM 0 HG22 VAL A 132 -18.447 3.411 3.897 1.00 73.24 H new ATOM 0 HG23 VAL A 132 -16.923 2.518 3.684 1.00 73.24 H new ATOM 2022 N GLN A 133 -16.626 1.128 0.413 1.00 42.41 N ATOM 2023 CA GLN A 133 -15.928 -0.152 0.454 1.00 12.41 C ATOM 2024 C GLN A 133 -14.566 -0.008 1.127 1.00 54.20 C ATOM 2025 O GLN A 133 -13.754 0.831 0.734 1.00 2.20 O ATOM 2026 CB GLN A 133 -15.755 -0.709 -0.960 1.00 71.20 C ATOM 2027 CG GLN A 133 -16.922 -1.566 -1.423 1.00 14.21 C ATOM 2028 CD GLN A 133 -18.266 -0.937 -1.113 1.00 65.31 C ATOM 2029 OE1 GLN A 133 -19.004 -1.414 -0.251 1.00 73.53 O ATOM 2030 NE2 GLN A 133 -18.592 0.141 -1.817 1.00 12.32 N ATOM 0 H GLN A 133 -16.443 1.682 -0.424 1.00 42.41 H new ATOM 0 HA GLN A 133 -16.531 -0.847 1.039 1.00 12.41 H new ATOM 0 HB2 GLN A 133 -15.626 0.121 -1.655 1.00 71.20 H new ATOM 0 HB3 GLN A 133 -14.841 -1.302 -0.999 1.00 71.20 H new ATOM 0 HG2 GLN A 133 -16.842 -1.733 -2.497 1.00 14.21 H new ATOM 0 HG3 GLN A 133 -16.863 -2.543 -0.944 1.00 14.21 H new ATOM 0 HE21 GLN A 133 -17.950 0.503 -2.522 1.00 12.32 H new ATOM 0 HE22 GLN A 133 -19.484 0.607 -1.652 1.00 12.32 H new