USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 797 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 GLN :FLIP amide:sc= 0.447 F(o=-3.3,f=-2.8) USER MOD Set 1.2: A 69 GLN :FLIP amide:sc= -3.25! C(o=-3.3!,f=-2.8!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 117:sc= 1.23 USER MOD Single : A 19 CYS SG : rot 7:sc= -2.07 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -51:sc= -3.22! USER MOD Single : A 27 HIS : no HE2:sc= -3.23 K(o=-3.2,f=-4.5) USER MOD Single : A 28 LYS NZ :NH3+ -128:sc= -1.59 (180deg=-2.38!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= -0.225 (180deg=-0.832) USER MOD Single : A 34 CYS SG : rot 60:sc= -8.67! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 163:sc=-0.00344 (180deg=-0.173) USER MOD Single : A 56 SER OG : rot -108:sc= 1.01 USER MOD Single : A 65 LYS NZ :NH3+ -139:sc= -0.64 (180deg=-3.23!) USER MOD Single : A 70 ASN : amide:sc= -18.6! C(o=-19!,f=-24!) USER MOD Single : A 72 LYS NZ :NH3+ -128:sc= -0.649 (180deg=-1.94) USER MOD Single : A 79 SER OG : rot 180:sc= -0.201 USER MOD Single : A 83 THR OG1 : rot 120:sc= -1.47 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -176:sc= -7.9! (180deg=-8.42!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 2 4.419 -3.345 -0.402 1.00 24.01 N ATOM 30 CA ALA A 2 5.455 -3.795 0.513 1.00 42.44 C ATOM 31 C ALA A 2 5.831 -5.240 0.180 1.00 51.01 C ATOM 32 O ALA A 2 7.002 -5.546 -0.038 1.00 60.30 O ATOM 33 CB ALA A 2 4.968 -3.636 1.954 1.00 12.21 C ATOM 0 HA ALA A 2 6.353 -3.187 0.404 1.00 42.44 H new ATOM 0 HB1 ALA A 2 5.745 -3.973 2.640 1.00 12.21 H new ATOM 0 HB2 ALA A 2 4.743 -2.587 2.148 1.00 12.21 H new ATOM 0 HB3 ALA A 2 4.069 -4.234 2.102 1.00 12.21 H new ATOM 39 N PHE A 3 4.815 -6.090 0.151 1.00 21.14 N ATOM 40 CA PHE A 3 5.024 -7.496 -0.151 1.00 10.10 C ATOM 41 C PHE A 3 5.767 -7.667 -1.477 1.00 41.15 C ATOM 42 O PHE A 3 6.331 -8.727 -1.745 1.00 52.11 O ATOM 43 CB PHE A 3 3.640 -8.138 -0.269 1.00 25.45 C ATOM 44 CG PHE A 3 3.125 -8.749 1.036 1.00 23.52 C ATOM 45 CD1 PHE A 3 2.058 -8.196 1.672 1.00 51.55 C ATOM 46 CD2 PHE A 3 3.735 -9.846 1.561 1.00 73.34 C ATOM 47 CE1 PHE A 3 1.580 -8.763 2.882 1.00 12.54 C ATOM 48 CE2 PHE A 3 3.257 -10.413 2.772 1.00 74.34 C ATOM 49 CZ PHE A 3 2.189 -9.859 3.407 1.00 62.41 C ATOM 0 H PHE A 3 3.845 -5.832 0.332 1.00 21.14 H new ATOM 0 HA PHE A 3 5.623 -7.960 0.633 1.00 10.10 H new ATOM 0 HB2 PHE A 3 2.930 -7.386 -0.611 1.00 25.45 H new ATOM 0 HB3 PHE A 3 3.675 -8.915 -1.033 1.00 25.45 H new ATOM 0 HD1 PHE A 3 1.574 -7.325 1.256 1.00 51.55 H new ATOM 0 HD2 PHE A 3 4.583 -10.286 1.057 1.00 73.34 H new ATOM 0 HE1 PHE A 3 0.732 -8.323 3.386 1.00 12.54 H new ATOM 0 HE2 PHE A 3 3.741 -11.284 3.189 1.00 74.34 H new ATOM 0 HZ PHE A 3 1.825 -10.290 4.328 1.00 62.41 H new ATOM 59 N ALA A 4 5.744 -6.608 -2.273 1.00 11.41 N ATOM 60 CA ALA A 4 6.408 -6.627 -3.565 1.00 24.21 C ATOM 61 C ALA A 4 7.863 -7.063 -3.379 1.00 3.42 C ATOM 62 O ALA A 4 8.503 -7.523 -4.323 1.00 73.41 O ATOM 63 CB ALA A 4 6.291 -5.250 -4.220 1.00 43.33 C ATOM 0 H ALA A 4 5.275 -5.730 -2.048 1.00 11.41 H new ATOM 0 HA ALA A 4 5.931 -7.346 -4.231 1.00 24.21 H new ATOM 0 HB1 ALA A 4 6.789 -5.265 -5.189 1.00 43.33 H new ATOM 0 HB2 ALA A 4 5.239 -5.000 -4.357 1.00 43.33 H new ATOM 0 HB3 ALA A 4 6.761 -4.502 -3.582 1.00 43.33 H new ATOM 69 N SER A 5 8.344 -6.901 -2.155 1.00 32.23 N ATOM 70 CA SER A 5 9.711 -7.272 -1.833 1.00 3.24 C ATOM 71 C SER A 5 9.750 -8.696 -1.275 1.00 70.22 C ATOM 72 O SER A 5 10.547 -9.520 -1.722 1.00 0.14 O ATOM 73 CB SER A 5 10.326 -6.293 -0.830 1.00 52.23 C ATOM 74 OG SER A 5 10.884 -5.150 -1.474 1.00 20.34 O ATOM 0 H SER A 5 7.811 -6.518 -1.374 1.00 32.23 H new ATOM 0 HA SER A 5 10.300 -7.231 -2.749 1.00 3.24 H new ATOM 0 HB2 SER A 5 9.563 -5.973 -0.121 1.00 52.23 H new ATOM 0 HB3 SER A 5 11.101 -6.801 -0.256 1.00 52.23 H new ATOM 0 HG SER A 5 11.265 -4.548 -0.801 1.00 20.34 H new ATOM 80 N VAL A 6 8.879 -8.943 -0.308 1.00 10.43 N ATOM 81 CA VAL A 6 8.803 -10.253 0.315 1.00 24.14 C ATOM 82 C VAL A 6 8.369 -11.285 -0.728 1.00 14.44 C ATOM 83 O VAL A 6 9.117 -12.209 -1.041 1.00 32.20 O ATOM 84 CB VAL A 6 7.874 -10.202 1.530 1.00 60.43 C ATOM 85 CG1 VAL A 6 8.091 -11.415 2.437 1.00 74.22 C ATOM 86 CG2 VAL A 6 8.057 -8.897 2.306 1.00 4.13 C ATOM 0 H VAL A 6 8.219 -8.257 0.060 1.00 10.43 H new ATOM 0 HA VAL A 6 9.782 -10.557 0.685 1.00 24.14 H new ATOM 0 HB VAL A 6 6.846 -10.234 1.168 1.00 60.43 H new ATOM 0 HG11 VAL A 6 7.419 -11.354 3.293 1.00 74.22 H new ATOM 0 HG12 VAL A 6 7.886 -12.328 1.878 1.00 74.22 H new ATOM 0 HG13 VAL A 6 9.123 -11.428 2.787 1.00 74.22 H new ATOM 0 HG21 VAL A 6 7.385 -8.887 3.164 1.00 4.13 H new ATOM 0 HG22 VAL A 6 9.088 -8.821 2.651 1.00 4.13 H new ATOM 0 HG23 VAL A 6 7.829 -8.052 1.656 1.00 4.13 H new ATOM 96 N LEU A 7 7.161 -11.091 -1.236 1.00 74.44 N ATOM 97 CA LEU A 7 6.617 -11.993 -2.238 1.00 22.54 C ATOM 98 C LEU A 7 6.521 -11.262 -3.578 1.00 61.31 C ATOM 99 O LEU A 7 6.940 -10.111 -3.693 1.00 34.41 O ATOM 100 CB LEU A 7 5.288 -12.583 -1.762 1.00 71.41 C ATOM 101 CG LEU A 7 5.339 -13.393 -0.465 1.00 63.52 C ATOM 102 CD1 LEU A 7 4.038 -13.246 0.325 1.00 11.34 C ATOM 103 CD2 LEU A 7 5.675 -14.859 -0.747 1.00 63.22 C ATOM 0 H LEU A 7 6.543 -10.323 -0.973 1.00 74.44 H new ATOM 0 HA LEU A 7 7.282 -12.844 -2.386 1.00 22.54 H new ATOM 0 HB2 LEU A 7 4.578 -11.767 -1.629 1.00 71.41 H new ATOM 0 HB3 LEU A 7 4.894 -13.223 -2.551 1.00 71.41 H new ATOM 0 HG LEU A 7 6.140 -12.992 0.156 1.00 63.52 H new ATOM 0 HD11 LEU A 7 4.101 -13.832 1.242 1.00 11.34 H new ATOM 0 HD12 LEU A 7 3.881 -12.197 0.575 1.00 11.34 H new ATOM 0 HD13 LEU A 7 3.204 -13.605 -0.278 1.00 11.34 H new ATOM 0 HD21 LEU A 7 5.705 -15.412 0.192 1.00 63.22 H new ATOM 0 HD22 LEU A 7 4.913 -15.288 -1.397 1.00 63.22 H new ATOM 0 HD23 LEU A 7 6.647 -14.922 -1.236 1.00 63.22 H new ATOM 115 N LYS A 8 5.967 -11.961 -4.558 1.00 44.34 N ATOM 116 CA LYS A 8 5.811 -11.392 -5.887 1.00 21.45 C ATOM 117 C LYS A 8 4.704 -10.336 -5.858 1.00 25.25 C ATOM 118 O LYS A 8 3.745 -10.458 -5.097 1.00 43.32 O ATOM 119 CB LYS A 8 5.579 -12.498 -6.919 1.00 2.15 C ATOM 120 CG LYS A 8 6.905 -12.990 -7.503 1.00 2.44 C ATOM 121 CD LYS A 8 7.922 -13.270 -6.394 1.00 70.13 C ATOM 122 CE LYS A 8 9.266 -13.707 -6.981 1.00 11.31 C ATOM 123 NZ LYS A 8 9.971 -14.610 -6.044 1.00 45.42 N ATOM 0 H LYS A 8 5.621 -12.915 -4.459 1.00 44.34 H new ATOM 0 HA LYS A 8 6.726 -10.887 -6.195 1.00 21.45 H new ATOM 0 HB2 LYS A 8 5.052 -13.330 -6.453 1.00 2.15 H new ATOM 0 HB3 LYS A 8 4.941 -12.125 -7.720 1.00 2.15 H new ATOM 0 HG2 LYS A 8 6.736 -13.897 -8.084 1.00 2.44 H new ATOM 0 HG3 LYS A 8 7.305 -12.242 -8.188 1.00 2.44 H new ATOM 0 HD2 LYS A 8 8.060 -12.375 -5.787 1.00 70.13 H new ATOM 0 HD3 LYS A 8 7.540 -14.048 -5.733 1.00 70.13 H new ATOM 0 HE2 LYS A 8 9.106 -14.213 -7.933 1.00 11.31 H new ATOM 0 HE3 LYS A 8 9.882 -12.832 -7.185 1.00 11.31 H new ATOM 0 HZ1 LYS A 8 10.881 -14.897 -6.457 1.00 45.42 H new ATOM 0 HZ2 LYS A 8 10.140 -14.115 -5.145 1.00 45.42 H new ATOM 0 HZ3 LYS A 8 9.388 -15.454 -5.870 1.00 45.42 H new ATOM 136 N ASP A 9 4.875 -9.324 -6.695 1.00 53.20 N ATOM 137 CA ASP A 9 3.902 -8.247 -6.775 1.00 22.11 C ATOM 138 C ASP A 9 2.741 -8.680 -7.673 1.00 3.33 C ATOM 139 O ASP A 9 1.611 -8.231 -7.491 1.00 35.34 O ATOM 140 CB ASP A 9 4.524 -6.987 -7.381 1.00 21.25 C ATOM 141 CG ASP A 9 3.578 -5.790 -7.496 1.00 31.32 C ATOM 142 OD1 ASP A 9 2.355 -5.953 -7.625 1.00 4.34 O ATOM 143 OD2 ASP A 9 4.151 -4.636 -7.448 1.00 42.30 O ATOM 0 H ASP A 9 5.672 -9.226 -7.324 1.00 53.20 H new ATOM 0 HA ASP A 9 3.557 -8.029 -5.764 1.00 22.11 H new ATOM 0 HB2 ASP A 9 5.382 -6.696 -6.775 1.00 21.25 H new ATOM 0 HB3 ASP A 9 4.903 -7.228 -8.374 1.00 21.25 H new ATOM 149 N ALA A 10 3.061 -9.546 -8.623 1.00 30.24 N ATOM 150 CA ALA A 10 2.059 -10.044 -9.549 1.00 73.52 C ATOM 151 C ALA A 10 1.308 -11.210 -8.903 1.00 33.41 C ATOM 152 O ALA A 10 0.106 -11.371 -9.111 1.00 0.34 O ATOM 153 CB ALA A 10 2.732 -10.442 -10.864 1.00 52.14 C ATOM 0 H ALA A 10 4.000 -9.915 -8.771 1.00 30.24 H new ATOM 0 HA ALA A 10 1.329 -9.268 -9.778 1.00 73.52 H new ATOM 0 HB1 ALA A 10 1.980 -10.816 -11.559 1.00 52.14 H new ATOM 0 HB2 ALA A 10 3.226 -9.573 -11.297 1.00 52.14 H new ATOM 0 HB3 ALA A 10 3.470 -11.222 -10.674 1.00 52.14 H new ATOM 159 N GLU A 11 2.047 -11.994 -8.132 1.00 63.44 N ATOM 160 CA GLU A 11 1.466 -13.141 -7.454 1.00 44.24 C ATOM 161 C GLU A 11 0.482 -12.678 -6.379 1.00 34.43 C ATOM 162 O GLU A 11 -0.691 -13.050 -6.404 1.00 42.14 O ATOM 163 CB GLU A 11 2.555 -14.032 -6.854 1.00 61.42 C ATOM 164 CG GLU A 11 3.536 -14.500 -7.931 1.00 24.11 C ATOM 165 CD GLU A 11 2.881 -15.519 -8.865 1.00 32.53 C ATOM 166 OE1 GLU A 11 2.444 -16.587 -8.409 1.00 4.12 O ATOM 167 OE2 GLU A 11 2.832 -15.170 -10.105 1.00 41.15 O ATOM 0 H GLU A 11 3.043 -11.858 -7.962 1.00 63.44 H new ATOM 0 HA GLU A 11 0.920 -13.735 -8.187 1.00 44.24 H new ATOM 0 HB2 GLU A 11 3.093 -13.484 -6.080 1.00 61.42 H new ATOM 0 HB3 GLU A 11 2.098 -14.897 -6.373 1.00 61.42 H new ATOM 0 HG2 GLU A 11 3.883 -13.643 -8.508 1.00 24.11 H new ATOM 0 HG3 GLU A 11 4.413 -14.944 -7.460 1.00 24.11 H new ATOM 175 N VAL A 12 0.994 -11.875 -5.459 1.00 0.53 N ATOM 176 CA VAL A 12 0.174 -11.357 -4.376 1.00 62.51 C ATOM 177 C VAL A 12 -1.066 -10.679 -4.961 1.00 33.13 C ATOM 178 O VAL A 12 -2.143 -10.730 -4.368 1.00 52.24 O ATOM 179 CB VAL A 12 1.004 -10.426 -3.491 1.00 12.55 C ATOM 180 CG1 VAL A 12 2.250 -11.138 -2.960 1.00 74.15 C ATOM 181 CG2 VAL A 12 1.381 -9.147 -4.242 1.00 62.30 C ATOM 0 H VAL A 12 1.967 -11.570 -5.440 1.00 0.53 H new ATOM 0 HA VAL A 12 -0.171 -12.169 -3.736 1.00 62.51 H new ATOM 0 HB VAL A 12 0.391 -10.144 -2.635 1.00 12.55 H new ATOM 0 HG11 VAL A 12 2.822 -10.453 -2.334 1.00 74.15 H new ATOM 0 HG12 VAL A 12 1.950 -12.004 -2.370 1.00 74.15 H new ATOM 0 HG13 VAL A 12 2.867 -11.465 -3.797 1.00 74.15 H new ATOM 0 HG21 VAL A 12 1.971 -8.503 -3.590 1.00 62.30 H new ATOM 0 HG22 VAL A 12 1.966 -9.403 -5.125 1.00 62.30 H new ATOM 0 HG23 VAL A 12 0.475 -8.623 -4.546 1.00 62.30 H new ATOM 191 N THR A 13 -0.874 -10.060 -6.116 1.00 43.20 N ATOM 192 CA THR A 13 -1.964 -9.372 -6.787 1.00 64.13 C ATOM 193 C THR A 13 -3.125 -10.335 -7.041 1.00 55.51 C ATOM 194 O THR A 13 -4.276 -10.017 -6.742 1.00 63.32 O ATOM 195 CB THR A 13 -1.408 -8.740 -8.065 1.00 70.01 C ATOM 196 OG1 THR A 13 -0.930 -7.466 -7.643 1.00 13.34 O ATOM 197 CG2 THR A 13 -2.505 -8.409 -9.079 1.00 63.34 C ATOM 0 H THR A 13 0.020 -10.020 -6.605 1.00 43.20 H new ATOM 0 HA THR A 13 -2.373 -8.576 -6.165 1.00 64.13 H new ATOM 0 HB THR A 13 -0.685 -9.417 -8.520 1.00 70.01 H new ATOM 0 HG1 THR A 13 0.040 -7.421 -7.773 1.00 13.34 H new ATOM 0 HG21 THR A 13 -2.057 -7.963 -9.967 1.00 63.34 H new ATOM 0 HG22 THR A 13 -3.031 -9.322 -9.357 1.00 63.34 H new ATOM 0 HG23 THR A 13 -3.210 -7.705 -8.636 1.00 63.34 H new ATOM 205 N ALA A 14 -2.785 -11.491 -7.590 1.00 23.31 N ATOM 206 CA ALA A 14 -3.785 -12.502 -7.887 1.00 72.13 C ATOM 207 C ALA A 14 -4.592 -12.802 -6.623 1.00 35.13 C ATOM 208 O ALA A 14 -5.730 -13.262 -6.703 1.00 34.21 O ATOM 209 CB ALA A 14 -3.100 -13.749 -8.451 1.00 1.41 C ATOM 0 H ALA A 14 -1.830 -11.750 -7.837 1.00 23.31 H new ATOM 0 HA ALA A 14 -4.481 -12.142 -8.645 1.00 72.13 H new ATOM 0 HB1 ALA A 14 -3.851 -14.507 -8.674 1.00 1.41 H new ATOM 0 HB2 ALA A 14 -2.565 -13.489 -9.364 1.00 1.41 H new ATOM 0 HB3 ALA A 14 -2.396 -14.140 -7.717 1.00 1.41 H new ATOM 215 N ALA A 15 -3.972 -12.529 -5.484 1.00 62.14 N ATOM 216 CA ALA A 15 -4.618 -12.764 -4.204 1.00 54.05 C ATOM 217 C ALA A 15 -5.433 -11.529 -3.815 1.00 44.40 C ATOM 218 O ALA A 15 -6.396 -11.629 -3.057 1.00 22.34 O ATOM 219 CB ALA A 15 -3.562 -13.120 -3.157 1.00 31.25 C ATOM 0 H ALA A 15 -3.028 -12.147 -5.421 1.00 62.14 H new ATOM 0 HA ALA A 15 -5.307 -13.606 -4.270 1.00 54.05 H new ATOM 0 HB1 ALA A 15 -4.047 -13.296 -2.197 1.00 31.25 H new ATOM 0 HB2 ALA A 15 -3.032 -14.021 -3.467 1.00 31.25 H new ATOM 0 HB3 ALA A 15 -2.854 -12.297 -3.060 1.00 31.25 H new ATOM 225 N LEU A 16 -5.016 -10.391 -4.352 1.00 22.23 N ATOM 226 CA LEU A 16 -5.694 -9.138 -4.070 1.00 14.32 C ATOM 227 C LEU A 16 -6.993 -9.073 -4.876 1.00 61.14 C ATOM 228 O LEU A 16 -7.988 -8.518 -4.414 1.00 12.22 O ATOM 229 CB LEU A 16 -4.757 -7.954 -4.317 1.00 53.31 C ATOM 230 CG LEU A 16 -3.821 -7.587 -3.164 1.00 22.40 C ATOM 231 CD1 LEU A 16 -2.608 -6.804 -3.670 1.00 71.03 C ATOM 232 CD2 LEU A 16 -4.573 -6.833 -2.066 1.00 25.15 C ATOM 0 H LEU A 16 -4.217 -10.311 -4.981 1.00 22.23 H new ATOM 0 HA LEU A 16 -5.969 -9.083 -3.017 1.00 14.32 H new ATOM 0 HB2 LEU A 16 -4.150 -8.174 -5.195 1.00 53.31 H new ATOM 0 HB3 LEU A 16 -5.363 -7.081 -4.559 1.00 53.31 H new ATOM 0 HG LEU A 16 -3.446 -8.510 -2.722 1.00 22.40 H new ATOM 0 HD11 LEU A 16 -1.959 -6.556 -2.830 1.00 71.03 H new ATOM 0 HD12 LEU A 16 -2.056 -7.411 -4.388 1.00 71.03 H new ATOM 0 HD13 LEU A 16 -2.943 -5.886 -4.153 1.00 71.03 H new ATOM 0 HD21 LEU A 16 -3.884 -6.584 -1.258 1.00 25.15 H new ATOM 0 HD22 LEU A 16 -4.996 -5.917 -2.478 1.00 25.15 H new ATOM 0 HD23 LEU A 16 -5.376 -7.460 -1.678 1.00 25.15 H new ATOM 244 N ASP A 17 -6.941 -9.649 -6.069 1.00 2.24 N ATOM 245 CA ASP A 17 -8.101 -9.664 -6.944 1.00 5.42 C ATOM 246 C ASP A 17 -9.126 -10.665 -6.408 1.00 65.42 C ATOM 247 O ASP A 17 -10.320 -10.537 -6.671 1.00 53.00 O ATOM 248 CB ASP A 17 -7.716 -10.093 -8.361 1.00 24.11 C ATOM 249 CG ASP A 17 -8.740 -9.744 -9.443 1.00 25.31 C ATOM 250 OD1 ASP A 17 -8.988 -10.535 -10.366 1.00 10.54 O ATOM 251 OD2 ASP A 17 -9.301 -8.591 -9.310 1.00 52.53 O ATOM 0 H ASP A 17 -6.114 -10.108 -6.450 1.00 2.24 H new ATOM 0 HA ASP A 17 -8.515 -8.656 -6.973 1.00 5.42 H new ATOM 0 HB2 ASP A 17 -6.764 -9.628 -8.619 1.00 24.11 H new ATOM 0 HB3 ASP A 17 -7.556 -11.171 -8.367 1.00 24.11 H new ATOM 257 N GLY A 18 -8.621 -11.641 -5.667 1.00 2.41 N ATOM 258 CA GLY A 18 -9.478 -12.664 -5.092 1.00 4.30 C ATOM 259 C GLY A 18 -10.241 -12.123 -3.881 1.00 51.14 C ATOM 260 O GLY A 18 -11.014 -12.847 -3.256 1.00 73.15 O ATOM 0 H GLY A 18 -7.629 -11.745 -5.452 1.00 2.41 H new ATOM 0 HA2 GLY A 18 -10.184 -13.016 -5.844 1.00 4.30 H new ATOM 0 HA3 GLY A 18 -8.876 -13.522 -4.793 1.00 4.30 H new ATOM 264 N CYS A 19 -9.998 -10.854 -3.587 1.00 25.32 N ATOM 265 CA CYS A 19 -10.653 -10.208 -2.462 1.00 65.03 C ATOM 266 C CYS A 19 -11.144 -8.833 -2.918 1.00 44.41 C ATOM 267 O CYS A 19 -11.358 -7.943 -2.097 1.00 11.44 O ATOM 268 CB CYS A 19 -9.726 -10.110 -1.248 1.00 54.14 C ATOM 269 SG CYS A 19 -8.193 -9.221 -1.702 1.00 4.53 S ATOM 0 H CYS A 19 -9.357 -10.256 -4.108 1.00 25.32 H new ATOM 0 HA CYS A 19 -11.504 -10.808 -2.139 1.00 65.03 H new ATOM 0 HB2 CYS A 19 -10.231 -9.589 -0.435 1.00 54.14 H new ATOM 0 HB3 CYS A 19 -9.483 -11.108 -0.884 1.00 54.14 H new ATOM 0 HG CYS A 19 -8.307 -8.748 -2.908 1.00 4.53 H new ATOM 275 N LYS A 20 -11.307 -8.702 -4.226 1.00 54.33 N ATOM 276 CA LYS A 20 -11.769 -7.450 -4.801 1.00 52.31 C ATOM 277 C LYS A 20 -13.297 -7.395 -4.733 1.00 3.11 C ATOM 278 O LYS A 20 -13.891 -6.330 -4.893 1.00 70.02 O ATOM 279 CB LYS A 20 -11.210 -7.270 -6.214 1.00 21.21 C ATOM 280 CG LYS A 20 -9.876 -6.521 -6.184 1.00 70.25 C ATOM 281 CD LYS A 20 -10.097 -5.007 -6.193 1.00 31.34 C ATOM 282 CE LYS A 20 -10.284 -4.473 -4.771 1.00 51.13 C ATOM 283 NZ LYS A 20 -9.984 -3.025 -4.718 1.00 41.44 N ATOM 0 H LYS A 20 -11.127 -9.442 -4.904 1.00 54.33 H new ATOM 0 HA LYS A 20 -11.393 -6.605 -4.224 1.00 52.31 H new ATOM 0 HB2 LYS A 20 -11.073 -8.245 -6.682 1.00 21.21 H new ATOM 0 HB3 LYS A 20 -11.926 -6.721 -6.825 1.00 21.21 H new ATOM 0 HG2 LYS A 20 -9.315 -6.805 -5.293 1.00 70.25 H new ATOM 0 HG3 LYS A 20 -9.273 -6.809 -7.045 1.00 70.25 H new ATOM 0 HD2 LYS A 20 -9.245 -4.514 -6.662 1.00 31.34 H new ATOM 0 HD3 LYS A 20 -10.974 -4.767 -6.794 1.00 31.34 H new ATOM 0 HE2 LYS A 20 -11.308 -4.651 -4.441 1.00 51.13 H new ATOM 0 HE3 LYS A 20 -9.630 -5.011 -4.085 1.00 51.13 H new ATOM 0 HZ1 LYS A 20 -10.116 -2.679 -3.746 1.00 41.44 H new ATOM 0 HZ2 LYS A 20 -9.000 -2.863 -5.013 1.00 41.44 H new ATOM 0 HZ3 LYS A 20 -10.625 -2.514 -5.358 1.00 41.44 H new ATOM 296 N ALA A 21 -13.889 -8.556 -4.495 1.00 25.22 N ATOM 297 CA ALA A 21 -15.335 -8.654 -4.403 1.00 54.14 C ATOM 298 C ALA A 21 -15.746 -8.717 -2.931 1.00 1.32 C ATOM 299 O ALA A 21 -15.614 -9.758 -2.290 1.00 21.13 O ATOM 300 CB ALA A 21 -15.816 -9.872 -5.195 1.00 40.20 C ATOM 0 H ALA A 21 -13.393 -9.437 -4.363 1.00 25.22 H new ATOM 0 HA ALA A 21 -15.807 -7.774 -4.839 1.00 54.14 H new ATOM 0 HB1 ALA A 21 -16.901 -9.946 -5.126 1.00 40.20 H new ATOM 0 HB2 ALA A 21 -15.525 -9.764 -6.240 1.00 40.20 H new ATOM 0 HB3 ALA A 21 -15.364 -10.775 -4.784 1.00 40.20 H new ATOM 306 N ALA A 22 -16.236 -7.589 -2.438 1.00 4.35 N ATOM 307 CA ALA A 22 -16.666 -7.502 -1.052 1.00 73.35 C ATOM 308 C ALA A 22 -17.425 -8.777 -0.678 1.00 64.43 C ATOM 309 O ALA A 22 -18.297 -9.226 -1.421 1.00 1.33 O ATOM 310 CB ALA A 22 -17.512 -6.243 -0.858 1.00 55.54 C ATOM 0 H ALA A 22 -16.345 -6.728 -2.973 1.00 4.35 H new ATOM 0 HA ALA A 22 -15.806 -7.422 -0.387 1.00 73.35 H new ATOM 0 HB1 ALA A 22 -17.834 -6.178 0.181 1.00 55.54 H new ATOM 0 HB2 ALA A 22 -16.919 -5.364 -1.110 1.00 55.54 H new ATOM 0 HB3 ALA A 22 -18.387 -6.289 -1.507 1.00 55.54 H new ATOM 316 N GLY A 23 -17.064 -9.326 0.473 1.00 55.41 N ATOM 317 CA GLY A 23 -17.700 -10.540 0.955 1.00 70.34 C ATOM 318 C GLY A 23 -17.296 -11.746 0.103 1.00 4.53 C ATOM 319 O GLY A 23 -18.020 -12.738 0.042 1.00 2.11 O ATOM 0 H GLY A 23 -16.339 -8.952 1.086 1.00 55.41 H new ATOM 0 HA2 GLY A 23 -17.420 -10.714 1.994 1.00 70.34 H new ATOM 0 HA3 GLY A 23 -18.783 -10.421 0.933 1.00 70.34 H new ATOM 323 N SER A 24 -16.140 -11.619 -0.532 1.00 70.54 N ATOM 324 CA SER A 24 -15.630 -12.686 -1.378 1.00 35.15 C ATOM 325 C SER A 24 -14.156 -12.945 -1.061 1.00 72.31 C ATOM 326 O SER A 24 -13.489 -13.698 -1.769 1.00 22.44 O ATOM 327 CB SER A 24 -15.803 -12.345 -2.859 1.00 35.21 C ATOM 328 OG SER A 24 -14.666 -11.670 -3.388 1.00 4.43 O ATOM 0 H SER A 24 -15.542 -10.794 -0.478 1.00 70.54 H new ATOM 0 HA SER A 24 -16.204 -13.590 -1.172 1.00 35.15 H new ATOM 0 HB2 SER A 24 -15.976 -13.261 -3.424 1.00 35.21 H new ATOM 0 HB3 SER A 24 -16.687 -11.720 -2.986 1.00 35.21 H new ATOM 0 HG SER A 24 -14.435 -10.914 -2.808 1.00 4.43 H new ATOM 334 N PHE A 25 -13.691 -12.307 0.003 1.00 52.24 N ATOM 335 CA PHE A 25 -12.308 -12.459 0.421 1.00 11.24 C ATOM 336 C PHE A 25 -12.130 -13.713 1.280 1.00 1.52 C ATOM 337 O PHE A 25 -12.949 -13.992 2.155 1.00 44.23 O ATOM 338 CB PHE A 25 -11.956 -11.227 1.258 1.00 34.44 C ATOM 339 CG PHE A 25 -10.730 -11.414 2.154 1.00 12.35 C ATOM 340 CD1 PHE A 25 -9.631 -12.058 1.678 1.00 35.41 C ATOM 341 CD2 PHE A 25 -10.739 -10.935 3.427 1.00 0.42 C ATOM 342 CE1 PHE A 25 -8.494 -12.231 2.510 1.00 64.33 C ATOM 343 CE2 PHE A 25 -9.601 -11.108 4.259 1.00 51.51 C ATOM 344 CZ PHE A 25 -8.502 -11.752 3.783 1.00 74.35 C ATOM 0 H PHE A 25 -14.247 -11.684 0.588 1.00 52.24 H new ATOM 0 HA PHE A 25 -11.663 -12.555 -0.453 1.00 11.24 H new ATOM 0 HB2 PHE A 25 -11.780 -10.384 0.589 1.00 34.44 H new ATOM 0 HB3 PHE A 25 -12.812 -10.966 1.880 1.00 34.44 H new ATOM 0 HD1 PHE A 25 -9.623 -12.438 0.667 1.00 35.41 H new ATOM 0 HD2 PHE A 25 -11.612 -10.423 3.805 1.00 0.42 H new ATOM 0 HE1 PHE A 25 -7.622 -12.743 2.132 1.00 64.33 H new ATOM 0 HE2 PHE A 25 -9.609 -10.728 5.270 1.00 51.51 H new ATOM 0 HZ PHE A 25 -7.636 -11.883 4.415 1.00 74.35 H new ATOM 354 N ASP A 26 -11.055 -14.434 1.001 1.00 63.52 N ATOM 355 CA ASP A 26 -10.759 -15.652 1.737 1.00 44.22 C ATOM 356 C ASP A 26 -9.275 -15.670 2.109 1.00 44.52 C ATOM 357 O ASP A 26 -8.434 -16.064 1.303 1.00 64.33 O ATOM 358 CB ASP A 26 -11.048 -16.892 0.889 1.00 33.12 C ATOM 359 CG ASP A 26 -12.451 -17.478 1.059 1.00 34.11 C ATOM 360 OD1 ASP A 26 -12.681 -18.350 1.910 1.00 24.13 O ATOM 361 OD2 ASP A 26 -13.343 -16.997 0.261 1.00 15.32 O ATOM 0 H ASP A 26 -10.378 -14.199 0.275 1.00 63.52 H new ATOM 0 HA ASP A 26 -11.388 -15.669 2.627 1.00 44.22 H new ATOM 0 HB2 ASP A 26 -10.901 -16.638 -0.161 1.00 33.12 H new ATOM 0 HB3 ASP A 26 -10.317 -17.661 1.136 1.00 33.12 H new ATOM 367 N HIS A 27 -8.998 -15.237 3.330 1.00 14.13 N ATOM 368 CA HIS A 27 -7.631 -15.198 3.819 1.00 65.10 C ATOM 369 C HIS A 27 -6.899 -16.474 3.398 1.00 43.13 C ATOM 370 O HIS A 27 -5.889 -16.413 2.697 1.00 13.55 O ATOM 371 CB HIS A 27 -7.600 -14.969 5.331 1.00 34.14 C ATOM 372 CG HIS A 27 -8.507 -15.892 6.110 1.00 25.35 C ATOM 373 ND1 HIS A 27 -9.858 -15.647 6.283 1.00 63.02 N ATOM 374 CD2 HIS A 27 -8.242 -17.062 6.760 1.00 64.22 C ATOM 375 CE1 HIS A 27 -10.372 -16.631 7.006 1.00 55.24 C ATOM 376 NE2 HIS A 27 -9.369 -17.507 7.301 1.00 53.43 N ATOM 0 H HIS A 27 -9.698 -14.910 3.996 1.00 14.13 H new ATOM 0 HA HIS A 27 -7.106 -14.354 3.372 1.00 65.10 H new ATOM 0 HB2 HIS A 27 -6.577 -15.096 5.687 1.00 34.14 H new ATOM 0 HB3 HIS A 27 -7.884 -13.937 5.538 1.00 34.14 H new ATOM 0 HD1 HIS A 27 -10.371 -14.845 5.916 1.00 63.02 H new ATOM 0 HD2 HIS A 27 -7.278 -17.544 6.823 1.00 64.22 H new ATOM 0 HE1 HIS A 27 -11.405 -16.723 7.309 1.00 55.24 H new ATOM 384 N LYS A 28 -7.436 -17.600 3.842 1.00 32.32 N ATOM 385 CA LYS A 28 -6.847 -18.889 3.520 1.00 10.12 C ATOM 386 C LYS A 28 -6.469 -18.916 2.038 1.00 51.11 C ATOM 387 O LYS A 28 -5.375 -19.350 1.680 1.00 34.42 O ATOM 388 CB LYS A 28 -7.783 -20.025 3.937 1.00 20.20 C ATOM 389 CG LYS A 28 -7.525 -20.445 5.386 1.00 64.05 C ATOM 390 CD LYS A 28 -6.131 -21.057 5.539 1.00 63.04 C ATOM 391 CE LYS A 28 -5.806 -21.983 4.364 1.00 14.33 C ATOM 392 NZ LYS A 28 -6.920 -22.928 4.127 1.00 51.14 N ATOM 0 H LYS A 28 -8.273 -17.647 4.423 1.00 32.32 H new ATOM 0 HA LYS A 28 -5.928 -19.040 4.086 1.00 10.12 H new ATOM 0 HB2 LYS A 28 -8.819 -19.706 3.826 1.00 20.20 H new ATOM 0 HB3 LYS A 28 -7.640 -20.880 3.276 1.00 20.20 H new ATOM 0 HG2 LYS A 28 -7.620 -19.580 6.042 1.00 64.05 H new ATOM 0 HG3 LYS A 28 -8.279 -21.167 5.699 1.00 64.05 H new ATOM 0 HD2 LYS A 28 -5.386 -20.263 5.598 1.00 63.04 H new ATOM 0 HD3 LYS A 28 -6.076 -21.616 6.473 1.00 63.04 H new ATOM 0 HE2 LYS A 28 -5.625 -21.392 3.466 1.00 14.33 H new ATOM 0 HE3 LYS A 28 -4.890 -22.536 4.571 1.00 14.33 H new ATOM 0 HZ1 LYS A 28 -6.551 -23.900 4.100 1.00 51.14 H new ATOM 0 HZ2 LYS A 28 -7.617 -22.843 4.895 1.00 51.14 H new ATOM 0 HZ3 LYS A 28 -7.376 -22.706 3.219 1.00 51.14 H new ATOM 405 N LYS A 29 -7.395 -18.446 1.215 1.00 13.13 N ATOM 406 CA LYS A 29 -7.173 -18.411 -0.220 1.00 51.32 C ATOM 407 C LYS A 29 -6.023 -17.450 -0.530 1.00 70.45 C ATOM 408 O LYS A 29 -5.200 -17.724 -1.402 1.00 44.45 O ATOM 409 CB LYS A 29 -8.472 -18.073 -0.955 1.00 43.33 C ATOM 410 CG LYS A 29 -9.320 -19.327 -1.175 1.00 63.21 C ATOM 411 CD LYS A 29 -8.640 -20.284 -2.157 1.00 3.41 C ATOM 412 CE LYS A 29 -9.626 -21.335 -2.669 1.00 65.44 C ATOM 413 NZ LYS A 29 -10.365 -20.823 -3.845 1.00 32.34 N ATOM 0 H LYS A 29 -8.301 -18.086 1.515 1.00 13.13 H new ATOM 0 HA LYS A 29 -6.875 -19.394 -0.584 1.00 51.32 H new ATOM 0 HB2 LYS A 29 -9.040 -17.342 -0.379 1.00 43.33 H new ATOM 0 HB3 LYS A 29 -8.241 -17.613 -1.916 1.00 43.33 H new ATOM 0 HG2 LYS A 29 -9.482 -19.832 -0.223 1.00 63.21 H new ATOM 0 HG3 LYS A 29 -10.301 -19.045 -1.557 1.00 63.21 H new ATOM 0 HD2 LYS A 29 -8.234 -19.721 -2.997 1.00 3.41 H new ATOM 0 HD3 LYS A 29 -7.800 -20.776 -1.668 1.00 3.41 H new ATOM 0 HE2 LYS A 29 -9.090 -22.245 -2.937 1.00 65.44 H new ATOM 0 HE3 LYS A 29 -10.328 -21.600 -1.878 1.00 65.44 H new ATOM 0 HZ1 LYS A 29 -11.030 -21.549 -4.180 1.00 32.34 H new ATOM 0 HZ2 LYS A 29 -10.892 -19.967 -3.578 1.00 32.34 H new ATOM 0 HZ3 LYS A 29 -9.693 -20.593 -4.604 1.00 32.34 H new ATOM 426 N PHE A 30 -6.003 -16.346 0.201 1.00 54.44 N ATOM 427 CA PHE A 30 -4.968 -15.343 0.014 1.00 21.44 C ATOM 428 C PHE A 30 -3.580 -15.935 0.268 1.00 61.32 C ATOM 429 O PHE A 30 -2.748 -15.984 -0.637 1.00 24.44 O ATOM 430 CB PHE A 30 -5.230 -14.234 1.035 1.00 34.31 C ATOM 431 CG PHE A 30 -4.586 -12.894 0.677 1.00 43.31 C ATOM 432 CD1 PHE A 30 -3.252 -12.828 0.419 1.00 60.05 C ATOM 433 CD2 PHE A 30 -5.346 -11.768 0.617 1.00 52.11 C ATOM 434 CE1 PHE A 30 -2.654 -11.584 0.086 1.00 3.12 C ATOM 435 CE2 PHE A 30 -4.748 -10.524 0.285 1.00 42.34 C ATOM 436 CZ PHE A 30 -3.414 -10.458 0.026 1.00 32.02 C ATOM 0 H PHE A 30 -6.687 -16.123 0.924 1.00 54.44 H new ATOM 0 HA PHE A 30 -4.993 -14.968 -1.009 1.00 21.44 H new ATOM 0 HB2 PHE A 30 -6.306 -14.093 1.135 1.00 34.31 H new ATOM 0 HB3 PHE A 30 -4.859 -14.555 2.008 1.00 34.31 H new ATOM 0 HD1 PHE A 30 -2.648 -13.722 0.467 1.00 60.05 H new ATOM 0 HD2 PHE A 30 -6.405 -11.820 0.822 1.00 52.11 H new ATOM 0 HE1 PHE A 30 -1.595 -11.532 -0.120 1.00 3.12 H new ATOM 0 HE2 PHE A 30 -5.352 -9.630 0.238 1.00 42.34 H new ATOM 0 HZ PHE A 30 -2.959 -9.512 -0.227 1.00 32.02 H new ATOM 446 N PHE A 31 -3.373 -16.370 1.502 1.00 14.12 N ATOM 447 CA PHE A 31 -2.101 -16.957 1.886 1.00 44.41 C ATOM 448 C PHE A 31 -1.805 -18.212 1.062 1.00 3.42 C ATOM 449 O PHE A 31 -0.655 -18.469 0.708 1.00 32.54 O ATOM 450 CB PHE A 31 -2.214 -17.344 3.362 1.00 63.45 C ATOM 451 CG PHE A 31 -2.246 -16.151 4.318 1.00 55.41 C ATOM 452 CD1 PHE A 31 -3.085 -16.160 5.389 1.00 61.02 C ATOM 453 CD2 PHE A 31 -1.437 -15.080 4.097 1.00 33.02 C ATOM 454 CE1 PHE A 31 -3.115 -15.052 6.276 1.00 34.03 C ATOM 455 CE2 PHE A 31 -1.468 -13.972 4.985 1.00 41.02 C ATOM 456 CZ PHE A 31 -2.306 -13.981 6.056 1.00 73.44 C ATOM 0 H PHE A 31 -4.066 -16.328 2.250 1.00 14.12 H new ATOM 0 HA PHE A 31 -1.295 -16.244 1.713 1.00 44.41 H new ATOM 0 HB2 PHE A 31 -3.119 -17.934 3.504 1.00 63.45 H new ATOM 0 HB3 PHE A 31 -1.372 -17.984 3.625 1.00 63.45 H new ATOM 0 HD1 PHE A 31 -3.728 -17.010 5.564 1.00 61.02 H new ATOM 0 HD2 PHE A 31 -0.771 -15.072 3.247 1.00 33.02 H new ATOM 0 HE1 PHE A 31 -3.781 -15.060 7.126 1.00 34.03 H new ATOM 0 HE2 PHE A 31 -0.826 -13.122 4.810 1.00 41.02 H new ATOM 0 HZ PHE A 31 -2.329 -13.138 6.731 1.00 73.44 H new ATOM 466 N LYS A 32 -2.862 -18.959 0.781 1.00 50.22 N ATOM 467 CA LYS A 32 -2.730 -20.181 0.005 1.00 10.53 C ATOM 468 C LYS A 32 -2.511 -19.824 -1.466 1.00 64.23 C ATOM 469 O LYS A 32 -2.010 -20.641 -2.238 1.00 54.45 O ATOM 470 CB LYS A 32 -3.931 -21.099 0.243 1.00 4.44 C ATOM 471 CG LYS A 32 -3.708 -22.470 -0.398 1.00 52.32 C ATOM 472 CD LYS A 32 -5.040 -23.116 -0.785 1.00 64.43 C ATOM 473 CE LYS A 32 -4.814 -24.451 -1.499 1.00 0.20 C ATOM 474 NZ LYS A 32 -3.669 -24.353 -2.431 1.00 42.45 N ATOM 0 H LYS A 32 -3.814 -18.742 1.077 1.00 50.22 H new ATOM 0 HA LYS A 32 -1.857 -20.746 0.330 1.00 10.53 H new ATOM 0 HB2 LYS A 32 -4.097 -21.217 1.314 1.00 4.44 H new ATOM 0 HB3 LYS A 32 -4.830 -20.642 -0.170 1.00 4.44 H new ATOM 0 HG2 LYS A 32 -3.080 -22.364 -1.283 1.00 52.32 H new ATOM 0 HG3 LYS A 32 -3.173 -23.118 0.297 1.00 52.32 H new ATOM 0 HD2 LYS A 32 -5.645 -23.275 0.108 1.00 64.43 H new ATOM 0 HD3 LYS A 32 -5.600 -22.443 -1.434 1.00 64.43 H new ATOM 0 HE2 LYS A 32 -4.627 -25.235 -0.766 1.00 0.20 H new ATOM 0 HE3 LYS A 32 -5.713 -24.734 -2.047 1.00 0.20 H new ATOM 0 HZ1 LYS A 32 -3.692 -25.153 -3.095 1.00 42.45 H new ATOM 0 HZ2 LYS A 32 -3.729 -23.461 -2.962 1.00 42.45 H new ATOM 0 HZ3 LYS A 32 -2.780 -24.376 -1.892 1.00 42.45 H new ATOM 487 N ALA A 33 -2.896 -18.604 -1.810 1.00 63.04 N ATOM 488 CA ALA A 33 -2.747 -18.130 -3.176 1.00 13.42 C ATOM 489 C ALA A 33 -1.300 -17.689 -3.404 1.00 0.15 C ATOM 490 O ALA A 33 -0.661 -18.116 -4.364 1.00 53.32 O ATOM 491 CB ALA A 33 -3.748 -17.002 -3.436 1.00 50.10 C ATOM 0 H ALA A 33 -3.311 -17.929 -1.167 1.00 63.04 H new ATOM 0 HA ALA A 33 -2.963 -18.929 -3.885 1.00 13.42 H new ATOM 0 HB1 ALA A 33 -3.637 -16.646 -4.460 1.00 50.10 H new ATOM 0 HB2 ALA A 33 -4.762 -17.374 -3.289 1.00 50.10 H new ATOM 0 HB3 ALA A 33 -3.559 -16.181 -2.744 1.00 50.10 H new ATOM 497 N CYS A 34 -0.825 -16.840 -2.504 1.00 21.43 N ATOM 498 CA CYS A 34 0.535 -16.337 -2.594 1.00 63.25 C ATOM 499 C CYS A 34 1.487 -17.438 -2.124 1.00 23.45 C ATOM 500 O CYS A 34 2.651 -17.469 -2.520 1.00 61.34 O ATOM 501 CB CYS A 34 0.715 -15.046 -1.794 1.00 23.14 C ATOM 502 SG CYS A 34 2.259 -14.204 -2.302 1.00 75.22 S ATOM 0 H CYS A 34 -1.358 -16.488 -1.709 1.00 21.43 H new ATOM 0 HA CYS A 34 0.762 -16.080 -3.629 1.00 63.25 H new ATOM 0 HB2 CYS A 34 -0.138 -14.387 -1.955 1.00 23.14 H new ATOM 0 HB3 CYS A 34 0.748 -15.271 -0.728 1.00 23.14 H new ATOM 0 HG CYS A 34 2.201 -13.919 -3.569 1.00 75.22 H new ATOM 508 N GLY A 35 0.957 -18.315 -1.284 1.00 22.53 N ATOM 509 CA GLY A 35 1.745 -19.416 -0.754 1.00 43.45 C ATOM 510 C GLY A 35 2.132 -19.161 0.704 1.00 70.21 C ATOM 511 O GLY A 35 2.614 -20.062 1.388 1.00 31.53 O ATOM 0 H GLY A 35 -0.009 -18.286 -0.957 1.00 22.53 H new ATOM 0 HA2 GLY A 35 1.176 -20.343 -0.826 1.00 43.45 H new ATOM 0 HA3 GLY A 35 2.645 -19.547 -1.355 1.00 43.45 H new ATOM 515 N LEU A 36 1.906 -17.929 1.136 1.00 23.43 N ATOM 516 CA LEU A 36 2.225 -17.545 2.501 1.00 60.11 C ATOM 517 C LEU A 36 1.845 -18.684 3.449 1.00 63.31 C ATOM 518 O LEU A 36 2.471 -18.863 4.493 1.00 42.24 O ATOM 519 CB LEU A 36 1.565 -16.209 2.849 1.00 22.33 C ATOM 520 CG LEU A 36 2.405 -14.958 2.587 1.00 41.44 C ATOM 521 CD1 LEU A 36 1.512 -13.749 2.297 1.00 65.43 C ATOM 522 CD2 LEU A 36 3.371 -14.693 3.743 1.00 13.54 C ATOM 0 H LEU A 36 1.506 -17.184 0.565 1.00 23.43 H new ATOM 0 HA LEU A 36 3.297 -17.383 2.611 1.00 60.11 H new ATOM 0 HB2 LEU A 36 0.638 -16.126 2.282 1.00 22.33 H new ATOM 0 HB3 LEU A 36 1.292 -16.225 3.904 1.00 22.33 H new ATOM 0 HG LEU A 36 3.010 -15.133 1.697 1.00 41.44 H new ATOM 0 HD11 LEU A 36 2.134 -12.873 2.114 1.00 65.43 H new ATOM 0 HD12 LEU A 36 0.901 -13.950 1.417 1.00 65.43 H new ATOM 0 HD13 LEU A 36 0.864 -13.562 3.153 1.00 65.43 H new ATOM 0 HD21 LEU A 36 3.956 -13.798 3.531 1.00 13.54 H new ATOM 0 HD22 LEU A 36 2.806 -14.547 4.663 1.00 13.54 H new ATOM 0 HD23 LEU A 36 4.041 -15.545 3.860 1.00 13.54 H new ATOM 534 N SER A 37 0.822 -19.426 3.052 1.00 53.34 N ATOM 535 CA SER A 37 0.351 -20.543 3.853 1.00 42.12 C ATOM 536 C SER A 37 1.345 -21.703 3.768 1.00 2.12 C ATOM 537 O SER A 37 1.673 -22.166 2.677 1.00 73.12 O ATOM 538 CB SER A 37 -1.037 -20.999 3.400 1.00 71.32 C ATOM 539 OG SER A 37 -1.771 -21.609 4.459 1.00 45.12 O ATOM 0 H SER A 37 0.306 -19.275 2.185 1.00 53.34 H new ATOM 0 HA SER A 37 0.275 -20.213 4.889 1.00 42.12 H new ATOM 0 HB2 SER A 37 -1.594 -20.143 3.020 1.00 71.32 H new ATOM 0 HB3 SER A 37 -0.936 -21.705 2.576 1.00 71.32 H new ATOM 0 HG SER A 37 -2.652 -21.885 4.130 1.00 45.12 H new ATOM 545 N GLY A 38 1.797 -22.139 4.935 1.00 45.13 N ATOM 546 CA GLY A 38 2.748 -23.236 5.006 1.00 14.13 C ATOM 547 C GLY A 38 4.186 -22.721 4.928 1.00 63.41 C ATOM 548 O GLY A 38 5.127 -23.509 4.836 1.00 11.23 O ATOM 0 H GLY A 38 1.523 -21.753 5.838 1.00 45.13 H new ATOM 0 HA2 GLY A 38 2.605 -23.786 5.936 1.00 14.13 H new ATOM 0 HA3 GLY A 38 2.564 -23.935 4.190 1.00 14.13 H new ATOM 552 N LYS A 39 4.312 -21.403 4.967 1.00 64.04 N ATOM 553 CA LYS A 39 5.621 -20.774 4.901 1.00 34.00 C ATOM 554 C LYS A 39 6.318 -20.916 6.255 1.00 3.23 C ATOM 555 O LYS A 39 5.833 -21.623 7.137 1.00 55.21 O ATOM 556 CB LYS A 39 5.496 -19.326 4.422 1.00 34.32 C ATOM 557 CG LYS A 39 5.349 -19.263 2.900 1.00 0.25 C ATOM 558 CD LYS A 39 6.528 -19.949 2.207 1.00 35.20 C ATOM 559 CE LYS A 39 6.810 -19.311 0.846 1.00 43.42 C ATOM 560 NZ LYS A 39 7.503 -20.270 -0.043 1.00 75.32 N ATOM 0 H LYS A 39 3.530 -20.753 5.043 1.00 64.04 H new ATOM 0 HA LYS A 39 6.249 -21.276 4.164 1.00 34.00 H new ATOM 0 HB2 LYS A 39 4.633 -18.856 4.894 1.00 34.32 H new ATOM 0 HB3 LYS A 39 6.375 -18.760 4.730 1.00 34.32 H new ATOM 0 HG2 LYS A 39 4.417 -19.743 2.601 1.00 0.25 H new ATOM 0 HG3 LYS A 39 5.289 -18.223 2.579 1.00 0.25 H new ATOM 0 HD2 LYS A 39 7.415 -19.879 2.836 1.00 35.20 H new ATOM 0 HD3 LYS A 39 6.312 -21.009 2.078 1.00 35.20 H new ATOM 0 HE2 LYS A 39 5.875 -18.991 0.387 1.00 43.42 H new ATOM 0 HE3 LYS A 39 7.422 -18.419 0.976 1.00 43.42 H new ATOM 0 HZ1 LYS A 39 7.687 -19.820 -0.963 1.00 75.32 H new ATOM 0 HZ2 LYS A 39 8.405 -20.555 0.389 1.00 75.32 H new ATOM 0 HZ3 LYS A 39 6.905 -21.110 -0.181 1.00 75.32 H new ATOM 573 N SER A 40 7.447 -20.232 6.378 1.00 34.21 N ATOM 574 CA SER A 40 8.216 -20.273 7.610 1.00 30.11 C ATOM 575 C SER A 40 7.898 -19.046 8.467 1.00 51.14 C ATOM 576 O SER A 40 7.551 -17.990 7.940 1.00 42.30 O ATOM 577 CB SER A 40 9.717 -20.343 7.320 1.00 35.51 C ATOM 578 OG SER A 40 10.097 -21.607 6.781 1.00 5.42 O ATOM 0 H SER A 40 7.847 -19.647 5.645 1.00 34.21 H new ATOM 0 HA SER A 40 7.936 -21.173 8.158 1.00 30.11 H new ATOM 0 HB2 SER A 40 9.988 -19.553 6.619 1.00 35.51 H new ATOM 0 HB3 SER A 40 10.273 -20.158 8.239 1.00 35.51 H new ATOM 0 HG SER A 40 11.062 -21.612 6.608 1.00 5.42 H new ATOM 584 N THR A 41 8.027 -19.226 9.773 1.00 62.02 N ATOM 585 CA THR A 41 7.758 -18.147 10.708 1.00 51.45 C ATOM 586 C THR A 41 8.762 -17.009 10.512 1.00 52.22 C ATOM 587 O THR A 41 8.503 -15.873 10.907 1.00 50.04 O ATOM 588 CB THR A 41 7.770 -18.731 12.121 1.00 22.33 C ATOM 589 OG1 THR A 41 6.755 -19.731 12.092 1.00 11.35 O ATOM 590 CG2 THR A 41 7.280 -17.733 13.172 1.00 4.12 C ATOM 0 H THR A 41 8.314 -20.104 10.206 1.00 62.02 H new ATOM 0 HA THR A 41 6.777 -17.707 10.532 1.00 51.45 H new ATOM 0 HB THR A 41 8.781 -19.054 12.371 1.00 22.33 H new ATOM 0 HG1 THR A 41 6.696 -20.163 12.970 1.00 11.35 H new ATOM 0 HG21 THR A 41 7.309 -18.199 14.157 1.00 4.12 H new ATOM 0 HG22 THR A 41 7.924 -16.854 13.167 1.00 4.12 H new ATOM 0 HG23 THR A 41 6.257 -17.435 12.941 1.00 4.12 H new ATOM 598 N ASP A 42 9.887 -17.353 9.902 1.00 34.33 N ATOM 599 CA ASP A 42 10.931 -16.375 9.649 1.00 13.03 C ATOM 600 C ASP A 42 10.396 -15.298 8.703 1.00 63.33 C ATOM 601 O ASP A 42 10.456 -14.109 9.012 1.00 23.31 O ATOM 602 CB ASP A 42 12.146 -17.026 8.987 1.00 45.23 C ATOM 603 CG ASP A 42 13.265 -16.058 8.596 1.00 62.04 C ATOM 604 OD1 ASP A 42 13.522 -15.064 9.291 1.00 54.21 O ATOM 605 OD2 ASP A 42 13.895 -16.363 7.512 1.00 43.50 O ATOM 0 H ASP A 42 10.098 -18.296 9.576 1.00 34.33 H new ATOM 0 HA ASP A 42 11.229 -15.944 10.605 1.00 13.03 H new ATOM 0 HB2 ASP A 42 12.554 -17.774 9.667 1.00 45.23 H new ATOM 0 HB3 ASP A 42 11.814 -17.555 8.093 1.00 45.23 H new ATOM 611 N GLU A 43 9.886 -15.754 7.568 1.00 15.42 N ATOM 612 CA GLU A 43 9.341 -14.844 6.574 1.00 31.24 C ATOM 613 C GLU A 43 8.010 -14.265 7.058 1.00 73.12 C ATOM 614 O GLU A 43 7.769 -13.065 6.933 1.00 73.42 O ATOM 615 CB GLU A 43 9.176 -15.543 5.223 1.00 24.04 C ATOM 616 CG GLU A 43 7.857 -16.315 5.163 1.00 70.35 C ATOM 617 CD GLU A 43 7.671 -16.975 3.795 1.00 75.22 C ATOM 618 OE1 GLU A 43 8.412 -17.908 3.450 1.00 12.31 O ATOM 619 OE2 GLU A 43 6.714 -16.487 3.080 1.00 62.23 O ATOM 0 H GLU A 43 9.839 -16.741 7.315 1.00 15.42 H new ATOM 0 HA GLU A 43 10.044 -14.022 6.437 1.00 31.24 H new ATOM 0 HB2 GLU A 43 9.206 -14.805 4.422 1.00 24.04 H new ATOM 0 HB3 GLU A 43 10.009 -16.226 5.059 1.00 24.04 H new ATOM 0 HG2 GLU A 43 7.841 -17.076 5.943 1.00 70.35 H new ATOM 0 HG3 GLU A 43 7.026 -15.638 5.360 1.00 70.35 H new ATOM 627 N VAL A 44 7.180 -15.145 7.600 1.00 43.31 N ATOM 628 CA VAL A 44 5.880 -14.736 8.103 1.00 52.24 C ATOM 629 C VAL A 44 6.042 -13.484 8.967 1.00 45.44 C ATOM 630 O VAL A 44 5.236 -12.558 8.883 1.00 64.31 O ATOM 631 CB VAL A 44 5.219 -15.896 8.850 1.00 62.01 C ATOM 632 CG1 VAL A 44 3.854 -15.484 9.405 1.00 24.24 C ATOM 633 CG2 VAL A 44 5.096 -17.128 7.951 1.00 63.00 C ATOM 0 H VAL A 44 7.383 -16.139 7.702 1.00 43.31 H new ATOM 0 HA VAL A 44 5.216 -14.478 7.278 1.00 52.24 H new ATOM 0 HB VAL A 44 5.858 -16.159 9.693 1.00 62.01 H new ATOM 0 HG11 VAL A 44 3.406 -16.327 9.931 1.00 24.24 H new ATOM 0 HG12 VAL A 44 3.979 -14.650 10.095 1.00 24.24 H new ATOM 0 HG13 VAL A 44 3.204 -15.181 8.584 1.00 24.24 H new ATOM 0 HG21 VAL A 44 4.623 -17.938 8.506 1.00 63.00 H new ATOM 0 HG22 VAL A 44 4.489 -16.883 7.079 1.00 63.00 H new ATOM 0 HG23 VAL A 44 6.088 -17.442 7.626 1.00 63.00 H new ATOM 643 N LYS A 45 7.091 -13.495 9.777 1.00 15.11 N ATOM 644 CA LYS A 45 7.369 -12.372 10.656 1.00 43.44 C ATOM 645 C LYS A 45 7.587 -11.113 9.814 1.00 52.24 C ATOM 646 O LYS A 45 7.201 -10.017 10.218 1.00 45.11 O ATOM 647 CB LYS A 45 8.538 -12.698 11.588 1.00 40.43 C ATOM 648 CG LYS A 45 8.121 -13.710 12.657 1.00 41.15 C ATOM 649 CD LYS A 45 9.294 -14.614 13.043 1.00 54.32 C ATOM 650 CE LYS A 45 9.840 -14.244 14.423 1.00 15.43 C ATOM 651 NZ LYS A 45 10.691 -13.036 14.337 1.00 13.22 N ATOM 0 H LYS A 45 7.758 -14.264 9.843 1.00 15.11 H new ATOM 0 HA LYS A 45 6.517 -12.177 11.307 1.00 43.44 H new ATOM 0 HB2 LYS A 45 9.370 -13.098 11.008 1.00 40.43 H new ATOM 0 HB3 LYS A 45 8.893 -11.785 12.065 1.00 40.43 H new ATOM 0 HG2 LYS A 45 7.757 -13.183 13.539 1.00 41.15 H new ATOM 0 HG3 LYS A 45 7.296 -14.318 12.286 1.00 41.15 H new ATOM 0 HD2 LYS A 45 8.971 -15.655 13.043 1.00 54.32 H new ATOM 0 HD3 LYS A 45 10.086 -14.526 12.299 1.00 54.32 H new ATOM 0 HE2 LYS A 45 9.014 -14.066 15.112 1.00 15.43 H new ATOM 0 HE3 LYS A 45 10.418 -15.075 14.827 1.00 15.43 H new ATOM 0 HZ1 LYS A 45 11.053 -12.799 15.282 1.00 13.22 H new ATOM 0 HZ2 LYS A 45 11.489 -13.219 13.696 1.00 13.22 H new ATOM 0 HZ3 LYS A 45 10.129 -12.241 13.972 1.00 13.22 H new ATOM 664 N LYS A 46 8.204 -11.312 8.658 1.00 14.10 N ATOM 665 CA LYS A 46 8.477 -10.206 7.755 1.00 21.45 C ATOM 666 C LYS A 46 7.170 -9.749 7.105 1.00 33.15 C ATOM 667 O LYS A 46 6.929 -8.551 6.962 1.00 23.33 O ATOM 668 CB LYS A 46 9.562 -10.593 6.749 1.00 43.35 C ATOM 669 CG LYS A 46 10.667 -11.411 7.420 1.00 2.11 C ATOM 670 CD LYS A 46 11.109 -10.762 8.734 1.00 54.05 C ATOM 671 CE LYS A 46 11.504 -9.300 8.517 1.00 64.11 C ATOM 672 NZ LYS A 46 12.809 -9.214 7.822 1.00 14.35 N ATOM 0 H LYS A 46 8.523 -12.222 8.326 1.00 14.10 H new ATOM 0 HA LYS A 46 8.874 -9.353 8.305 1.00 21.45 H new ATOM 0 HB2 LYS A 46 9.120 -11.170 5.937 1.00 43.35 H new ATOM 0 HB3 LYS A 46 9.989 -9.693 6.306 1.00 43.35 H new ATOM 0 HG2 LYS A 46 10.310 -12.423 7.612 1.00 2.11 H new ATOM 0 HG3 LYS A 46 11.520 -11.497 6.747 1.00 2.11 H new ATOM 0 HD2 LYS A 46 10.300 -10.820 9.462 1.00 54.05 H new ATOM 0 HD3 LYS A 46 11.953 -11.313 9.150 1.00 54.05 H new ATOM 0 HE2 LYS A 46 10.738 -8.793 7.930 1.00 64.11 H new ATOM 0 HE3 LYS A 46 11.562 -8.786 9.477 1.00 64.11 H new ATOM 0 HZ1 LYS A 46 13.063 -8.215 7.682 1.00 14.35 H new ATOM 0 HZ2 LYS A 46 13.540 -9.680 8.397 1.00 14.35 H new ATOM 0 HZ3 LYS A 46 12.742 -9.687 6.898 1.00 14.35 H new ATOM 685 N ALA A 47 6.359 -10.727 6.729 1.00 23.33 N ATOM 686 CA ALA A 47 5.082 -10.440 6.098 1.00 65.32 C ATOM 687 C ALA A 47 4.216 -9.624 7.058 1.00 14.33 C ATOM 688 O ALA A 47 3.435 -8.776 6.628 1.00 71.24 O ATOM 689 CB ALA A 47 4.413 -11.751 5.680 1.00 64.23 C ATOM 0 H ALA A 47 6.562 -11.719 6.849 1.00 23.33 H new ATOM 0 HA ALA A 47 5.225 -9.845 5.196 1.00 65.32 H new ATOM 0 HB1 ALA A 47 3.455 -11.536 5.207 1.00 64.23 H new ATOM 0 HB2 ALA A 47 5.056 -12.279 4.975 1.00 64.23 H new ATOM 0 HB3 ALA A 47 4.251 -12.374 6.560 1.00 64.23 H new ATOM 695 N PHE A 48 4.382 -9.907 8.342 1.00 70.43 N ATOM 696 CA PHE A 48 3.624 -9.210 9.367 1.00 44.22 C ATOM 697 C PHE A 48 3.982 -7.722 9.396 1.00 22.52 C ATOM 698 O PHE A 48 3.202 -6.902 9.878 1.00 63.21 O ATOM 699 CB PHE A 48 4.002 -9.840 10.709 1.00 44.22 C ATOM 700 CG PHE A 48 3.413 -9.119 11.923 1.00 54.13 C ATOM 701 CD1 PHE A 48 4.119 -8.132 12.537 1.00 71.21 C ATOM 702 CD2 PHE A 48 2.182 -9.465 12.387 1.00 2.24 C ATOM 703 CE1 PHE A 48 3.572 -7.463 13.664 1.00 74.25 C ATOM 704 CE2 PHE A 48 1.635 -8.796 13.514 1.00 11.20 C ATOM 705 CZ PHE A 48 2.341 -7.809 14.128 1.00 22.13 C ATOM 0 H PHE A 48 5.031 -10.610 8.696 1.00 70.43 H new ATOM 0 HA PHE A 48 2.557 -9.296 9.164 1.00 44.22 H new ATOM 0 HB2 PHE A 48 3.668 -10.878 10.718 1.00 44.22 H new ATOM 0 HB3 PHE A 48 5.088 -9.854 10.799 1.00 44.22 H new ATOM 0 HD1 PHE A 48 5.096 -7.857 12.167 1.00 71.21 H new ATOM 0 HD2 PHE A 48 1.621 -10.248 11.899 1.00 2.24 H new ATOM 0 HE1 PHE A 48 4.133 -6.680 14.152 1.00 74.25 H new ATOM 0 HE2 PHE A 48 0.658 -9.071 13.884 1.00 11.20 H new ATOM 0 HZ PHE A 48 1.924 -7.300 14.984 1.00 22.13 H new ATOM 715 N ALA A 49 5.162 -7.420 8.875 1.00 40.11 N ATOM 716 CA ALA A 49 5.633 -6.046 8.835 1.00 14.24 C ATOM 717 C ALA A 49 5.020 -5.336 7.627 1.00 53.15 C ATOM 718 O ALA A 49 5.026 -4.108 7.554 1.00 20.02 O ATOM 719 CB ALA A 49 7.162 -6.030 8.807 1.00 63.53 C ATOM 0 H ALA A 49 5.806 -8.103 8.477 1.00 40.11 H new ATOM 0 HA ALA A 49 5.318 -5.507 9.729 1.00 14.24 H new ATOM 0 HB1 ALA A 49 7.515 -4.999 8.777 1.00 63.53 H new ATOM 0 HB2 ALA A 49 7.547 -6.519 9.701 1.00 63.53 H new ATOM 0 HB3 ALA A 49 7.515 -6.560 7.923 1.00 63.53 H new ATOM 725 N ILE A 50 4.505 -6.139 6.707 1.00 31.22 N ATOM 726 CA ILE A 50 3.889 -5.603 5.505 1.00 22.21 C ATOM 727 C ILE A 50 2.576 -4.911 5.875 1.00 34.31 C ATOM 728 O ILE A 50 2.334 -3.775 5.472 1.00 13.42 O ATOM 729 CB ILE A 50 3.731 -6.700 4.450 1.00 52.42 C ATOM 730 CG1 ILE A 50 5.049 -7.445 4.231 1.00 1.14 C ATOM 731 CG2 ILE A 50 3.172 -6.128 3.145 1.00 65.00 C ATOM 732 CD1 ILE A 50 6.066 -6.559 3.509 1.00 63.52 C ATOM 0 H ILE A 50 4.502 -7.157 6.770 1.00 31.22 H new ATOM 0 HA ILE A 50 4.531 -4.847 5.052 1.00 22.21 H new ATOM 0 HB ILE A 50 3.008 -7.428 4.819 1.00 52.42 H new ATOM 0 HG12 ILE A 50 5.455 -7.763 5.191 1.00 1.14 H new ATOM 0 HG13 ILE A 50 4.868 -8.347 3.647 1.00 1.14 H new ATOM 0 HG21 ILE A 50 3.069 -6.928 2.412 1.00 65.00 H new ATOM 0 HG22 ILE A 50 2.196 -5.680 3.333 1.00 65.00 H new ATOM 0 HG23 ILE A 50 3.852 -5.368 2.760 1.00 65.00 H new ATOM 0 HD11 ILE A 50 6.994 -7.113 3.366 1.00 63.52 H new ATOM 0 HD12 ILE A 50 5.667 -6.263 2.539 1.00 63.52 H new ATOM 0 HD13 ILE A 50 6.263 -5.669 4.107 1.00 63.52 H new ATOM 744 N ILE A 51 1.762 -5.626 6.638 1.00 32.20 N ATOM 745 CA ILE A 51 0.479 -5.095 7.067 1.00 60.31 C ATOM 746 C ILE A 51 0.709 -3.856 7.934 1.00 1.01 C ATOM 747 O ILE A 51 0.333 -2.749 7.553 1.00 45.53 O ATOM 748 CB ILE A 51 -0.348 -6.183 7.756 1.00 42.15 C ATOM 749 CG1 ILE A 51 -0.305 -7.490 6.961 1.00 3.12 C ATOM 750 CG2 ILE A 51 -1.782 -5.709 8.001 1.00 4.43 C ATOM 751 CD1 ILE A 51 0.425 -8.583 7.744 1.00 61.40 C ATOM 0 H ILE A 51 1.966 -6.569 6.970 1.00 32.20 H new ATOM 0 HA ILE A 51 -0.109 -4.777 6.206 1.00 60.31 H new ATOM 0 HB ILE A 51 0.096 -6.384 8.731 1.00 42.15 H new ATOM 0 HG12 ILE A 51 -1.320 -7.816 6.735 1.00 3.12 H new ATOM 0 HG13 ILE A 51 0.196 -7.324 6.008 1.00 3.12 H new ATOM 0 HG21 ILE A 51 -2.348 -6.501 8.492 1.00 4.43 H new ATOM 0 HG22 ILE A 51 -1.769 -4.824 8.638 1.00 4.43 H new ATOM 0 HG23 ILE A 51 -2.252 -5.464 7.049 1.00 4.43 H new ATOM 0 HD11 ILE A 51 0.442 -9.501 7.157 1.00 61.40 H new ATOM 0 HD12 ILE A 51 1.447 -8.264 7.948 1.00 61.40 H new ATOM 0 HD13 ILE A 51 -0.093 -8.764 8.686 1.00 61.40 H new ATOM 763 N ASP A 52 1.325 -4.084 9.085 1.00 63.24 N ATOM 764 CA ASP A 52 1.610 -3.000 10.009 1.00 11.01 C ATOM 765 C ASP A 52 2.070 -1.771 9.222 1.00 74.44 C ATOM 766 O ASP A 52 3.209 -1.715 8.762 1.00 3.23 O ATOM 767 CB ASP A 52 2.727 -3.384 10.981 1.00 44.11 C ATOM 768 CG ASP A 52 2.403 -4.556 11.909 1.00 60.42 C ATOM 769 OD1 ASP A 52 1.229 -4.857 12.172 1.00 41.13 O ATOM 770 OD2 ASP A 52 3.430 -5.182 12.376 1.00 12.13 O ATOM 0 H ASP A 52 1.635 -5.004 9.398 1.00 63.24 H new ATOM 0 HA ASP A 52 0.700 -2.788 10.570 1.00 11.01 H new ATOM 0 HB2 ASP A 52 3.619 -3.632 10.406 1.00 44.11 H new ATOM 0 HB3 ASP A 52 2.972 -2.514 11.591 1.00 44.11 H new ATOM 776 N GLN A 53 1.159 -0.818 9.090 1.00 61.04 N ATOM 777 CA GLN A 53 1.457 0.406 8.366 1.00 51.15 C ATOM 778 C GLN A 53 1.971 1.480 9.327 1.00 74.22 C ATOM 779 O GLN A 53 2.529 2.496 8.964 1.00 44.20 O ATOM 780 CB GLN A 53 0.230 0.900 7.596 1.00 1.45 C ATOM 781 CG GLN A 53 -0.382 -0.224 6.759 1.00 63.33 C ATOM 782 CD GLN A 53 -1.244 0.341 5.628 1.00 11.03 C ATOM 783 OE1 GLN A 53 -2.526 0.491 5.949 1.00 14.21 O flip ATOM 784 NE2 GLN A 53 -0.776 0.622 4.537 1.00 11.12 N flip ATOM 0 H GLN A 53 0.215 -0.869 9.472 1.00 61.04 H new ATOM 0 HA GLN A 53 2.240 0.193 7.638 1.00 51.15 H new ATOM 0 HB2 GLN A 53 -0.513 1.283 8.296 1.00 1.45 H new ATOM 0 HB3 GLN A 53 0.513 1.729 6.947 1.00 1.45 H new ATOM 0 HG2 GLN A 53 0.411 -0.844 6.341 1.00 63.33 H new ATOM 0 HG3 GLN A 53 -0.988 -0.868 7.396 1.00 63.33 H new ATOM 0 HE21 GLN A 53 0.218 0.482 4.357 1.00 11.12 H new ATOM 0 HE22 GLN A 53 -1.379 0.997 3.805 1.00 11.12 H new ATOM 793 N ASP A 54 1.767 1.231 10.591 1.00 40.10 N ATOM 794 CA ASP A 54 2.227 2.198 11.628 1.00 73.33 C ATOM 795 C ASP A 54 3.216 1.515 12.578 1.00 11.10 C ATOM 796 O ASP A 54 3.875 2.229 13.333 1.00 70.43 O ATOM 797 CB ASP A 54 0.958 2.608 12.377 1.00 62.43 C ATOM 798 CG ASP A 54 0.206 1.356 12.832 1.00 1.23 C ATOM 799 OD1 ASP A 54 -0.215 0.596 11.975 1.00 12.51 O ATOM 800 OD2 ASP A 54 0.062 1.178 14.031 1.00 74.33 O ATOM 0 H ASP A 54 1.301 0.398 10.951 1.00 40.10 H new ATOM 0 HA ASP A 54 2.740 3.058 11.197 1.00 73.33 H new ATOM 0 HB2 ASP A 54 1.215 3.224 13.239 1.00 62.43 H new ATOM 0 HB3 ASP A 54 0.321 3.213 11.731 1.00 62.43 H new ATOM 805 N LYS A 55 3.298 0.194 12.532 1.00 24.54 N ATOM 806 CA LYS A 55 4.208 -0.530 13.404 1.00 21.14 C ATOM 807 C LYS A 55 3.826 -0.269 14.863 1.00 53.14 C ATOM 808 O LYS A 55 4.695 -0.157 15.726 1.00 61.14 O ATOM 809 CB LYS A 55 5.660 -0.176 13.076 1.00 30.04 C ATOM 810 CG LYS A 55 5.876 -0.094 11.564 1.00 40.31 C ATOM 811 CD LYS A 55 5.329 -1.339 10.863 1.00 12.14 C ATOM 812 CE LYS A 55 6.023 -1.561 9.518 1.00 0.21 C ATOM 813 NZ LYS A 55 7.400 -2.065 9.722 1.00 14.43 N ATOM 0 H LYS A 55 2.750 -0.394 11.905 1.00 24.54 H new ATOM 0 HA LYS A 55 4.121 -1.604 13.238 1.00 21.14 H new ATOM 0 HB2 LYS A 55 5.918 0.778 13.536 1.00 30.04 H new ATOM 0 HB3 LYS A 55 6.326 -0.926 13.502 1.00 30.04 H new ATOM 0 HG2 LYS A 55 5.383 0.795 11.171 1.00 40.31 H new ATOM 0 HG3 LYS A 55 6.940 0.010 11.350 1.00 40.31 H new ATOM 0 HD2 LYS A 55 5.474 -2.212 11.499 1.00 12.14 H new ATOM 0 HD3 LYS A 55 4.255 -1.232 10.709 1.00 12.14 H new ATOM 0 HE2 LYS A 55 5.453 -2.273 8.921 1.00 0.21 H new ATOM 0 HE3 LYS A 55 6.051 -0.626 8.958 1.00 0.21 H new ATOM 0 HZ1 LYS A 55 7.753 -2.478 8.836 1.00 14.43 H new ATOM 0 HZ2 LYS A 55 8.018 -1.279 10.008 1.00 14.43 H new ATOM 0 HZ3 LYS A 55 7.397 -2.792 10.466 1.00 14.43 H new ATOM 826 N SER A 56 2.524 -0.179 15.093 1.00 60.32 N ATOM 827 CA SER A 56 2.016 0.067 16.432 1.00 71.43 C ATOM 828 C SER A 56 2.518 -1.016 17.389 1.00 74.51 C ATOM 829 O SER A 56 2.906 -0.721 18.518 1.00 15.21 O ATOM 830 CB SER A 56 0.487 0.115 16.440 1.00 12.40 C ATOM 831 OG SER A 56 -0.080 -0.752 15.462 1.00 34.21 O ATOM 0 H SER A 56 1.806 -0.272 14.375 1.00 60.32 H new ATOM 0 HA SER A 56 2.385 1.037 16.765 1.00 71.43 H new ATOM 0 HB2 SER A 56 0.121 -0.164 17.428 1.00 12.40 H new ATOM 0 HB3 SER A 56 0.156 1.137 16.254 1.00 12.40 H new ATOM 0 HG SER A 56 -0.457 -0.219 14.731 1.00 34.21 H new ATOM 837 N GLY A 57 2.494 -2.249 16.902 1.00 13.52 N ATOM 838 CA GLY A 57 2.941 -3.377 17.700 1.00 23.34 C ATOM 839 C GLY A 57 2.058 -4.603 17.461 1.00 74.14 C ATOM 840 O GLY A 57 2.474 -5.732 17.715 1.00 31.22 O ATOM 0 H GLY A 57 2.172 -2.490 15.965 1.00 13.52 H new ATOM 0 HA2 GLY A 57 3.975 -3.615 17.452 1.00 23.34 H new ATOM 0 HA3 GLY A 57 2.920 -3.110 18.757 1.00 23.34 H new ATOM 844 N PHE A 58 0.854 -4.339 16.974 1.00 61.13 N ATOM 845 CA PHE A 58 -0.092 -5.407 16.697 1.00 41.32 C ATOM 846 C PHE A 58 -0.983 -5.054 15.504 1.00 61.21 C ATOM 847 O PHE A 58 -0.789 -4.022 14.864 1.00 55.31 O ATOM 848 CB PHE A 58 -0.966 -5.564 17.942 1.00 13.34 C ATOM 849 CG PHE A 58 -0.279 -6.295 19.097 1.00 23.21 C ATOM 850 CD1 PHE A 58 -0.625 -7.577 19.392 1.00 2.12 C ATOM 851 CD2 PHE A 58 0.678 -5.664 19.828 1.00 4.33 C ATOM 852 CE1 PHE A 58 0.013 -8.256 20.464 1.00 43.31 C ATOM 853 CE2 PHE A 58 1.316 -6.342 20.900 1.00 24.51 C ATOM 854 CZ PHE A 58 0.970 -7.624 21.195 1.00 23.22 C ATOM 0 H PHE A 58 0.512 -3.401 16.764 1.00 61.13 H new ATOM 0 HA PHE A 58 0.443 -6.326 16.457 1.00 41.32 H new ATOM 0 HB2 PHE A 58 -1.275 -4.576 18.283 1.00 13.34 H new ATOM 0 HB3 PHE A 58 -1.872 -6.105 17.671 1.00 13.34 H new ATOM 0 HD1 PHE A 58 -1.385 -8.079 18.811 1.00 2.12 H new ATOM 0 HD2 PHE A 58 0.953 -4.646 19.593 1.00 4.33 H new ATOM 0 HE1 PHE A 58 -0.262 -9.274 20.699 1.00 43.31 H new ATOM 0 HE2 PHE A 58 2.076 -5.840 21.481 1.00 24.51 H new ATOM 0 HZ PHE A 58 1.455 -8.140 22.010 1.00 23.22 H new ATOM 864 N ILE A 59 -1.940 -5.932 15.241 1.00 1.11 N ATOM 865 CA ILE A 59 -2.861 -5.726 14.136 1.00 32.34 C ATOM 866 C ILE A 59 -4.291 -5.654 14.677 1.00 4.40 C ATOM 867 O ILE A 59 -5.048 -6.617 14.572 1.00 62.25 O ATOM 868 CB ILE A 59 -2.662 -6.801 13.066 1.00 75.21 C ATOM 869 CG1 ILE A 59 -1.442 -6.490 12.197 1.00 73.34 C ATOM 870 CG2 ILE A 59 -3.931 -6.983 12.230 1.00 63.14 C ATOM 871 CD1 ILE A 59 -1.096 -7.676 11.293 1.00 12.24 C ATOM 0 H ILE A 59 -2.097 -6.787 15.774 1.00 1.11 H new ATOM 0 HA ILE A 59 -2.658 -4.776 13.642 1.00 32.34 H new ATOM 0 HB ILE A 59 -2.467 -7.750 13.566 1.00 75.21 H new ATOM 0 HG12 ILE A 59 -1.641 -5.609 11.587 1.00 73.34 H new ATOM 0 HG13 ILE A 59 -0.589 -6.252 12.833 1.00 73.34 H new ATOM 0 HG21 ILE A 59 -3.763 -7.753 11.477 1.00 63.14 H new ATOM 0 HG22 ILE A 59 -4.754 -7.283 12.879 1.00 63.14 H new ATOM 0 HG23 ILE A 59 -4.181 -6.043 11.739 1.00 63.14 H new ATOM 0 HD11 ILE A 59 -0.225 -7.429 10.686 1.00 12.24 H new ATOM 0 HD12 ILE A 59 -0.874 -8.549 11.907 1.00 12.24 H new ATOM 0 HD13 ILE A 59 -1.942 -7.896 10.642 1.00 12.24 H new ATOM 883 N GLU A 60 -4.617 -4.502 15.244 1.00 2.53 N ATOM 884 CA GLU A 60 -5.942 -4.290 15.802 1.00 60.53 C ATOM 885 C GLU A 60 -7.014 -4.632 14.765 1.00 33.53 C ATOM 886 O GLU A 60 -6.742 -4.643 13.566 1.00 54.32 O ATOM 887 CB GLU A 60 -6.103 -2.854 16.304 1.00 72.31 C ATOM 888 CG GLU A 60 -5.096 -2.545 17.413 1.00 21.12 C ATOM 889 CD GLU A 60 -3.818 -1.932 16.838 1.00 44.12 C ATOM 890 OE1 GLU A 60 -3.889 -0.984 16.042 1.00 3.51 O ATOM 891 OE2 GLU A 60 -2.721 -2.475 17.246 1.00 41.30 O ATOM 0 H GLU A 60 -3.986 -3.705 15.329 1.00 2.53 H new ATOM 0 HA GLU A 60 -6.066 -4.954 16.657 1.00 60.53 H new ATOM 0 HB2 GLU A 60 -5.963 -2.158 15.477 1.00 72.31 H new ATOM 0 HB3 GLU A 60 -7.117 -2.707 16.677 1.00 72.31 H new ATOM 0 HG2 GLU A 60 -5.541 -1.858 18.132 1.00 21.12 H new ATOM 0 HG3 GLU A 60 -4.853 -3.460 17.954 1.00 21.12 H new ATOM 899 N GLU A 61 -8.211 -4.904 15.266 1.00 65.10 N ATOM 900 CA GLU A 61 -9.325 -5.246 14.398 1.00 10.44 C ATOM 901 C GLU A 61 -9.377 -4.295 13.201 1.00 5.51 C ATOM 902 O GLU A 61 -9.710 -4.706 12.091 1.00 64.02 O ATOM 903 CB GLU A 61 -10.646 -5.228 15.170 1.00 10.30 C ATOM 904 CG GLU A 61 -11.788 -5.782 14.315 1.00 2.34 C ATOM 905 CD GLU A 61 -12.385 -4.691 13.424 1.00 10.45 C ATOM 906 OE1 GLU A 61 -12.744 -4.961 12.269 1.00 71.51 O ATOM 907 OE2 GLU A 61 -12.471 -3.526 13.972 1.00 14.04 O ATOM 0 H GLU A 61 -8.433 -4.894 16.261 1.00 65.10 H new ATOM 0 HA GLU A 61 -9.173 -6.259 14.026 1.00 10.44 H new ATOM 0 HB2 GLU A 61 -10.548 -5.820 16.080 1.00 10.30 H new ATOM 0 HB3 GLU A 61 -10.878 -4.208 15.477 1.00 10.30 H new ATOM 0 HG2 GLU A 61 -11.420 -6.601 13.697 1.00 2.34 H new ATOM 0 HG3 GLU A 61 -12.564 -6.194 14.961 1.00 2.34 H new ATOM 915 N GLU A 62 -9.042 -3.041 13.467 1.00 2.53 N ATOM 916 CA GLU A 62 -9.046 -2.028 12.425 1.00 2.45 C ATOM 917 C GLU A 62 -8.025 -2.378 11.341 1.00 52.22 C ATOM 918 O GLU A 62 -8.286 -2.188 10.154 1.00 62.03 O ATOM 919 CB GLU A 62 -8.772 -0.640 13.009 1.00 64.12 C ATOM 920 CG GLU A 62 -9.568 -0.419 14.296 1.00 32.33 C ATOM 921 CD GLU A 62 -8.668 -0.550 15.527 1.00 54.31 C ATOM 922 OE1 GLU A 62 -9.119 -1.033 16.576 1.00 71.51 O ATOM 923 OE2 GLU A 62 -7.460 -0.128 15.366 1.00 61.11 O ATOM 0 H GLU A 62 -8.766 -2.703 14.389 1.00 2.53 H new ATOM 0 HA GLU A 62 -10.036 -2.006 11.970 1.00 2.45 H new ATOM 0 HB2 GLU A 62 -7.707 -0.531 13.213 1.00 64.12 H new ATOM 0 HB3 GLU A 62 -9.036 0.124 12.278 1.00 64.12 H new ATOM 0 HG2 GLU A 62 -10.026 0.570 14.279 1.00 32.33 H new ATOM 0 HG3 GLU A 62 -10.379 -1.145 14.355 1.00 32.33 H new ATOM 931 N GLU A 63 -6.885 -2.883 11.787 1.00 4.12 N ATOM 932 CA GLU A 63 -5.824 -3.261 10.869 1.00 24.43 C ATOM 933 C GLU A 63 -6.232 -4.498 10.066 1.00 15.21 C ATOM 934 O GLU A 63 -5.943 -4.592 8.874 1.00 3.14 O ATOM 935 CB GLU A 63 -4.511 -3.503 11.618 1.00 74.21 C ATOM 936 CG GLU A 63 -3.855 -2.180 12.015 1.00 44.40 C ATOM 937 CD GLU A 63 -2.470 -2.415 12.621 1.00 3.13 C ATOM 938 OE1 GLU A 63 -1.791 -3.348 12.140 1.00 3.23 O ATOM 939 OE2 GLU A 63 -2.121 -1.657 13.552 1.00 53.51 O ATOM 0 H GLU A 63 -6.672 -3.039 12.772 1.00 4.12 H new ATOM 0 HA GLU A 63 -5.662 -2.437 10.174 1.00 24.43 H new ATOM 0 HB2 GLU A 63 -4.701 -4.101 12.509 1.00 74.21 H new ATOM 0 HB3 GLU A 63 -3.830 -4.077 10.989 1.00 74.21 H new ATOM 0 HG2 GLU A 63 -3.768 -1.536 11.140 1.00 44.40 H new ATOM 0 HG3 GLU A 63 -4.487 -1.658 12.734 1.00 44.40 H new ATOM 946 N LEU A 64 -6.899 -5.415 10.751 1.00 34.10 N ATOM 947 CA LEU A 64 -7.351 -6.642 10.116 1.00 10.32 C ATOM 948 C LEU A 64 -8.088 -6.298 8.820 1.00 34.53 C ATOM 949 O LEU A 64 -7.663 -6.694 7.736 1.00 24.12 O ATOM 950 CB LEU A 64 -8.181 -7.477 11.093 1.00 0.44 C ATOM 951 CG LEU A 64 -7.402 -8.476 11.951 1.00 32.11 C ATOM 952 CD1 LEU A 64 -8.297 -9.084 13.033 1.00 3.44 C ATOM 953 CD2 LEU A 64 -6.745 -9.550 11.081 1.00 11.33 C ATOM 0 H LEU A 64 -7.137 -5.333 11.739 1.00 34.10 H new ATOM 0 HA LEU A 64 -6.500 -7.266 9.843 1.00 10.32 H new ATOM 0 HB2 LEU A 64 -8.716 -6.798 11.757 1.00 0.44 H new ATOM 0 HB3 LEU A 64 -8.932 -8.025 10.524 1.00 0.44 H new ATOM 0 HG LEU A 64 -6.601 -7.939 12.459 1.00 32.11 H new ATOM 0 HD11 LEU A 64 -7.719 -9.791 13.629 1.00 3.44 H new ATOM 0 HD12 LEU A 64 -8.678 -8.292 13.678 1.00 3.44 H new ATOM 0 HD13 LEU A 64 -9.133 -9.603 12.564 1.00 3.44 H new ATOM 0 HD21 LEU A 64 -6.198 -10.247 11.715 1.00 11.33 H new ATOM 0 HD22 LEU A 64 -7.513 -10.090 10.527 1.00 11.33 H new ATOM 0 HD23 LEU A 64 -6.056 -9.079 10.380 1.00 11.33 H new ATOM 965 N LYS A 65 -9.181 -5.566 8.975 1.00 35.02 N ATOM 966 CA LYS A 65 -9.982 -5.165 7.831 1.00 71.12 C ATOM 967 C LYS A 65 -9.083 -4.481 6.799 1.00 3.12 C ATOM 968 O LYS A 65 -9.427 -4.409 5.621 1.00 53.23 O ATOM 969 CB LYS A 65 -11.166 -4.307 8.280 1.00 54.33 C ATOM 970 CG LYS A 65 -10.787 -2.825 8.317 1.00 24.01 C ATOM 971 CD LYS A 65 -11.613 -2.074 9.363 1.00 4.41 C ATOM 972 CE LYS A 65 -12.987 -1.694 8.808 1.00 62.45 C ATOM 973 NZ LYS A 65 -12.849 -1.028 7.493 1.00 24.41 N ATOM 0 H LYS A 65 -9.531 -5.240 9.876 1.00 35.02 H new ATOM 0 HA LYS A 65 -10.417 -6.039 7.346 1.00 71.12 H new ATOM 0 HB2 LYS A 65 -12.005 -4.454 7.600 1.00 54.33 H new ATOM 0 HB3 LYS A 65 -11.497 -4.626 9.268 1.00 54.33 H new ATOM 0 HG2 LYS A 65 -9.726 -2.723 8.544 1.00 24.01 H new ATOM 0 HG3 LYS A 65 -10.947 -2.380 7.335 1.00 24.01 H new ATOM 0 HD2 LYS A 65 -11.735 -2.696 10.250 1.00 4.41 H new ATOM 0 HD3 LYS A 65 -11.081 -1.175 9.674 1.00 4.41 H new ATOM 0 HE2 LYS A 65 -13.605 -2.587 8.707 1.00 62.45 H new ATOM 0 HE3 LYS A 65 -13.497 -1.031 9.506 1.00 62.45 H new ATOM 0 HZ1 LYS A 65 -13.512 -0.229 7.437 1.00 24.41 H new ATOM 0 HZ2 LYS A 65 -11.876 -0.678 7.381 1.00 24.41 H new ATOM 0 HZ3 LYS A 65 -13.062 -1.708 6.735 1.00 24.41 H new ATOM 986 N LEU A 66 -7.947 -3.996 7.280 1.00 34.02 N ATOM 987 CA LEU A 66 -6.996 -3.320 6.415 1.00 70.15 C ATOM 988 C LEU A 66 -5.916 -4.312 5.978 1.00 31.20 C ATOM 989 O LEU A 66 -4.787 -3.919 5.691 1.00 64.15 O ATOM 990 CB LEU A 66 -6.442 -2.070 7.101 1.00 64.04 C ATOM 991 CG LEU A 66 -7.444 -0.941 7.349 1.00 42.22 C ATOM 992 CD1 LEU A 66 -6.729 0.344 7.771 1.00 45.14 C ATOM 993 CD2 LEU A 66 -8.339 -0.724 6.127 1.00 1.11 C ATOM 0 H LEU A 66 -7.664 -4.058 8.258 1.00 34.02 H new ATOM 0 HA LEU A 66 -7.489 -2.966 5.510 1.00 70.15 H new ATOM 0 HB2 LEU A 66 -6.013 -2.365 8.059 1.00 64.04 H new ATOM 0 HB3 LEU A 66 -5.626 -1.678 6.494 1.00 64.04 H new ATOM 0 HG LEU A 66 -8.092 -1.235 8.175 1.00 42.22 H new ATOM 0 HD11 LEU A 66 -7.464 1.131 7.941 1.00 45.14 H new ATOM 0 HD12 LEU A 66 -6.171 0.165 8.690 1.00 45.14 H new ATOM 0 HD13 LEU A 66 -6.042 0.654 6.983 1.00 45.14 H new ATOM 0 HD21 LEU A 66 -9.042 0.084 6.330 1.00 1.11 H new ATOM 0 HD22 LEU A 66 -7.723 -0.462 5.267 1.00 1.11 H new ATOM 0 HD23 LEU A 66 -8.890 -1.639 5.913 1.00 1.11 H new ATOM 1005 N PHE A 67 -6.301 -5.579 5.942 1.00 34.42 N ATOM 1006 CA PHE A 67 -5.380 -6.631 5.546 1.00 52.24 C ATOM 1007 C PHE A 67 -5.088 -6.566 4.045 1.00 21.51 C ATOM 1008 O PHE A 67 -4.277 -7.337 3.533 1.00 32.14 O ATOM 1009 CB PHE A 67 -6.060 -7.964 5.864 1.00 25.11 C ATOM 1010 CG PHE A 67 -5.431 -9.167 5.157 1.00 32.05 C ATOM 1011 CD1 PHE A 67 -4.159 -9.543 5.456 1.00 4.32 C ATOM 1012 CD2 PHE A 67 -6.145 -9.860 4.231 1.00 71.44 C ATOM 1013 CE1 PHE A 67 -3.576 -10.659 4.800 1.00 25.04 C ATOM 1014 CE2 PHE A 67 -5.562 -10.977 3.575 1.00 41.32 C ATOM 1015 CZ PHE A 67 -4.289 -11.352 3.874 1.00 74.55 C ATOM 0 H PHE A 67 -7.239 -5.901 6.181 1.00 34.42 H new ATOM 0 HA PHE A 67 -4.435 -6.519 6.078 1.00 52.24 H new ATOM 0 HB2 PHE A 67 -6.026 -8.130 6.941 1.00 25.11 H new ATOM 0 HB3 PHE A 67 -7.112 -7.900 5.584 1.00 25.11 H new ATOM 0 HD1 PHE A 67 -3.592 -8.993 6.192 1.00 4.32 H new ATOM 0 HD2 PHE A 67 -7.155 -9.561 3.994 1.00 71.44 H new ATOM 0 HE1 PHE A 67 -2.565 -10.957 5.037 1.00 25.04 H new ATOM 0 HE2 PHE A 67 -6.129 -11.528 2.839 1.00 41.32 H new ATOM 0 HZ PHE A 67 -3.845 -12.201 3.375 1.00 74.55 H new ATOM 1025 N LEU A 68 -5.764 -5.640 3.382 1.00 34.11 N ATOM 1026 CA LEU A 68 -5.587 -5.465 1.950 1.00 34.25 C ATOM 1027 C LEU A 68 -4.653 -4.281 1.698 1.00 45.25 C ATOM 1028 O LEU A 68 -4.052 -4.176 0.629 1.00 73.30 O ATOM 1029 CB LEU A 68 -6.944 -5.337 1.255 1.00 70.44 C ATOM 1030 CG LEU A 68 -7.783 -6.615 1.182 1.00 53.45 C ATOM 1031 CD1 LEU A 68 -8.899 -6.479 0.143 1.00 2.03 C ATOM 1032 CD2 LEU A 68 -6.901 -7.836 0.918 1.00 23.33 C ATOM 0 H LEU A 68 -6.436 -5.002 3.810 1.00 34.11 H new ATOM 0 HA LEU A 68 -5.113 -6.344 1.514 1.00 34.25 H new ATOM 0 HB2 LEU A 68 -7.525 -4.574 1.773 1.00 70.44 H new ATOM 0 HB3 LEU A 68 -6.778 -4.977 0.240 1.00 70.44 H new ATOM 0 HG LEU A 68 -8.260 -6.766 2.150 1.00 53.45 H new ATOM 0 HD11 LEU A 68 -9.480 -7.400 0.111 1.00 2.03 H new ATOM 0 HD12 LEU A 68 -9.550 -5.648 0.415 1.00 2.03 H new ATOM 0 HD13 LEU A 68 -8.462 -6.291 -0.838 1.00 2.03 H new ATOM 0 HD21 LEU A 68 -7.522 -8.730 0.871 1.00 23.33 H new ATOM 0 HD22 LEU A 68 -6.377 -7.708 -0.029 1.00 23.33 H new ATOM 0 HD23 LEU A 68 -6.174 -7.941 1.724 1.00 23.33 H new ATOM 1044 N GLN A 69 -4.558 -3.418 2.699 1.00 72.13 N ATOM 1045 CA GLN A 69 -3.706 -2.245 2.598 1.00 35.22 C ATOM 1046 C GLN A 69 -2.246 -2.627 2.847 1.00 1.34 C ATOM 1047 O GLN A 69 -1.365 -1.768 2.833 1.00 32.12 O ATOM 1048 CB GLN A 69 -4.161 -1.153 3.568 1.00 1.13 C ATOM 1049 CG GLN A 69 -5.334 -0.359 2.990 1.00 43.24 C ATOM 1050 CD GLN A 69 -5.839 0.682 3.991 1.00 22.33 C ATOM 1051 OE1 GLN A 69 -7.141 0.936 3.897 1.00 14.04 O flip ATOM 1052 NE2 GLN A 69 -5.095 1.218 4.796 1.00 42.01 N flip ATOM 0 H GLN A 69 -5.057 -3.508 3.584 1.00 72.13 H new ATOM 0 HA GLN A 69 -3.789 -1.845 1.587 1.00 35.22 H new ATOM 0 HB2 GLN A 69 -4.454 -1.603 4.516 1.00 1.13 H new ATOM 0 HB3 GLN A 69 -3.330 -0.480 3.779 1.00 1.13 H new ATOM 0 HG2 GLN A 69 -5.024 0.137 2.070 1.00 43.24 H new ATOM 0 HG3 GLN A 69 -6.144 -1.039 2.728 1.00 43.24 H new ATOM 0 HE21 GLN A 69 -4.104 0.976 4.814 1.00 42.01 H new ATOM 0 HE22 GLN A 69 -5.464 1.908 5.451 1.00 42.01 H new ATOM 1061 N ASN A 70 -2.034 -3.916 3.070 1.00 40.52 N ATOM 1062 CA ASN A 70 -0.695 -4.421 3.322 1.00 73.33 C ATOM 1063 C ASN A 70 0.042 -4.586 1.991 1.00 32.11 C ATOM 1064 O ASN A 70 1.178 -4.138 1.847 1.00 1.22 O ATOM 1065 CB ASN A 70 -0.743 -5.788 4.008 1.00 1.32 C ATOM 1066 CG ASN A 70 -1.945 -5.887 4.949 1.00 32.02 C ATOM 1067 OD1 ASN A 70 -2.539 -6.937 5.131 1.00 60.30 O ATOM 1068 ND2 ASN A 70 -2.270 -4.738 5.535 1.00 22.22 N ATOM 0 H ASN A 70 -2.767 -4.625 3.081 1.00 40.52 H new ATOM 0 HA ASN A 70 -0.182 -3.710 3.969 1.00 73.33 H new ATOM 0 HB2 ASN A 70 -0.800 -6.575 3.256 1.00 1.32 H new ATOM 0 HB3 ASN A 70 0.177 -5.950 4.569 1.00 1.32 H new ATOM 0 HD21 ASN A 70 -3.059 -4.700 6.181 1.00 22.22 H new ATOM 0 HD22 ASN A 70 -1.731 -3.895 5.339 1.00 22.22 H new ATOM 1075 N PHE A 71 -0.635 -5.230 1.052 1.00 33.41 N ATOM 1076 CA PHE A 71 -0.059 -5.460 -0.262 1.00 1.02 C ATOM 1077 C PHE A 71 -0.293 -4.259 -1.181 1.00 3.04 C ATOM 1078 O PHE A 71 -0.122 -4.359 -2.395 1.00 23.05 O ATOM 1079 CB PHE A 71 -0.764 -6.683 -0.852 1.00 23.12 C ATOM 1080 CG PHE A 71 -0.639 -7.946 0.003 1.00 12.34 C ATOM 1081 CD1 PHE A 71 0.320 -8.868 -0.280 1.00 54.54 C ATOM 1082 CD2 PHE A 71 -1.487 -8.146 1.047 1.00 34.14 C ATOM 1083 CE1 PHE A 71 0.435 -10.039 0.513 1.00 20.32 C ATOM 1084 CE2 PHE A 71 -1.372 -9.318 1.841 1.00 0.01 C ATOM 1085 CZ PHE A 71 -0.413 -10.240 1.557 1.00 12.22 C ATOM 0 H PHE A 71 -1.578 -5.600 1.175 1.00 33.41 H new ATOM 0 HA PHE A 71 1.017 -5.613 -0.175 1.00 1.02 H new ATOM 0 HB2 PHE A 71 -1.820 -6.451 -0.987 1.00 23.12 H new ATOM 0 HB3 PHE A 71 -0.353 -6.884 -1.841 1.00 23.12 H new ATOM 0 HD1 PHE A 71 0.994 -8.709 -1.109 1.00 54.54 H new ATOM 0 HD2 PHE A 71 -2.248 -7.414 1.272 1.00 34.14 H new ATOM 0 HE1 PHE A 71 1.196 -10.771 0.287 1.00 20.32 H new ATOM 0 HE2 PHE A 71 -2.046 -9.477 2.670 1.00 0.01 H new ATOM 0 HZ PHE A 71 -0.325 -11.131 2.160 1.00 12.22 H new ATOM 1095 N LYS A 72 -0.680 -3.151 -0.566 1.00 40.00 N ATOM 1096 CA LYS A 72 -0.939 -1.932 -1.313 1.00 61.15 C ATOM 1097 C LYS A 72 -1.319 -0.814 -0.341 1.00 53.21 C ATOM 1098 O LYS A 72 -2.021 -1.052 0.641 1.00 52.04 O ATOM 1099 CB LYS A 72 -1.985 -2.183 -2.402 1.00 4.12 C ATOM 1100 CG LYS A 72 -1.692 -1.344 -3.647 1.00 41.32 C ATOM 1101 CD LYS A 72 -2.246 -2.016 -4.905 1.00 35.55 C ATOM 1102 CE LYS A 72 -3.774 -1.938 -4.940 1.00 31.44 C ATOM 1103 NZ LYS A 72 -4.367 -3.018 -4.119 1.00 11.45 N ATOM 0 H LYS A 72 -0.820 -3.072 0.441 1.00 40.00 H new ATOM 0 HA LYS A 72 -0.040 -1.607 -1.836 1.00 61.15 H new ATOM 0 HB2 LYS A 72 -1.994 -3.241 -2.666 1.00 4.12 H new ATOM 0 HB3 LYS A 72 -2.977 -1.941 -2.021 1.00 4.12 H new ATOM 0 HG2 LYS A 72 -2.134 -0.354 -3.535 1.00 41.32 H new ATOM 0 HG3 LYS A 72 -0.616 -1.203 -3.750 1.00 41.32 H new ATOM 0 HD2 LYS A 72 -1.833 -1.534 -5.791 1.00 35.55 H new ATOM 0 HD3 LYS A 72 -1.931 -3.059 -4.934 1.00 35.55 H new ATOM 0 HE2 LYS A 72 -4.103 -0.968 -4.568 1.00 31.44 H new ATOM 0 HE3 LYS A 72 -4.125 -2.021 -5.969 1.00 31.44 H new ATOM 0 HZ1 LYS A 72 -5.069 -3.538 -4.684 1.00 11.45 H new ATOM 0 HZ2 LYS A 72 -3.618 -3.671 -3.811 1.00 11.45 H new ATOM 0 HZ3 LYS A 72 -4.831 -2.605 -3.285 1.00 11.45 H new ATOM 1116 N ALA A 73 -0.839 0.382 -0.648 1.00 12.42 N ATOM 1117 CA ALA A 73 -1.120 1.538 0.187 1.00 52.22 C ATOM 1118 C ALA A 73 -2.357 2.261 -0.350 1.00 72.12 C ATOM 1119 O ALA A 73 -2.488 3.474 -0.194 1.00 72.04 O ATOM 1120 CB ALA A 73 0.111 2.446 0.234 1.00 72.54 C ATOM 0 H ALA A 73 -0.257 0.576 -1.463 1.00 12.42 H new ATOM 0 HA ALA A 73 -1.336 1.229 1.210 1.00 52.22 H new ATOM 0 HB1 ALA A 73 -0.100 3.313 0.860 1.00 72.54 H new ATOM 0 HB2 ALA A 73 0.954 1.895 0.650 1.00 72.54 H new ATOM 0 HB3 ALA A 73 0.357 2.778 -0.775 1.00 72.54 H new ATOM 1126 N GLY A 74 -3.233 1.485 -0.971 1.00 53.14 N ATOM 1127 CA GLY A 74 -4.455 2.036 -1.532 1.00 52.23 C ATOM 1128 C GLY A 74 -5.485 0.935 -1.791 1.00 71.32 C ATOM 1129 O GLY A 74 -6.333 1.068 -2.672 1.00 73.41 O ATOM 0 H GLY A 74 -3.121 0.479 -1.098 1.00 53.14 H new ATOM 0 HA2 GLY A 74 -4.872 2.775 -0.848 1.00 52.23 H new ATOM 0 HA3 GLY A 74 -4.230 2.555 -2.464 1.00 52.23 H new ATOM 1133 N ALA A 75 -5.377 -0.128 -1.008 1.00 31.33 N ATOM 1134 CA ALA A 75 -6.289 -1.252 -1.141 1.00 65.12 C ATOM 1135 C ALA A 75 -7.582 -0.947 -0.382 1.00 64.42 C ATOM 1136 O ALA A 75 -7.685 0.078 0.289 1.00 43.32 O ATOM 1137 CB ALA A 75 -5.605 -2.526 -0.641 1.00 20.13 C ATOM 0 H ALA A 75 -4.672 -0.235 -0.279 1.00 31.33 H new ATOM 0 HA ALA A 75 -6.551 -1.412 -2.187 1.00 65.12 H new ATOM 0 HB1 ALA A 75 -6.289 -3.369 -0.741 1.00 20.13 H new ATOM 0 HB2 ALA A 75 -4.709 -2.714 -1.232 1.00 20.13 H new ATOM 0 HB3 ALA A 75 -5.330 -2.404 0.407 1.00 20.13 H new ATOM 1143 N ARG A 76 -8.536 -1.857 -0.514 1.00 23.22 N ATOM 1144 CA ARG A 76 -9.818 -1.699 0.151 1.00 2.33 C ATOM 1145 C ARG A 76 -9.771 -2.318 1.550 1.00 64.14 C ATOM 1146 O ARG A 76 -8.710 -2.737 2.011 1.00 12.45 O ATOM 1147 CB ARG A 76 -10.941 -2.357 -0.653 1.00 24.00 C ATOM 1148 CG ARG A 76 -10.767 -3.877 -0.695 1.00 2.43 C ATOM 1149 CD ARG A 76 -11.713 -4.564 0.292 1.00 4.12 C ATOM 1150 NE ARG A 76 -11.996 -5.945 -0.157 1.00 31.31 N ATOM 1151 CZ ARG A 76 -13.040 -6.683 0.277 1.00 71.01 C ATOM 1152 NH1 ARG A 76 -13.198 -7.907 -0.192 1.00 25.04 N ATOM 1153 NH2 ARG A 76 -13.910 -6.177 1.176 1.00 11.44 N ATOM 0 H ARG A 76 -8.447 -2.706 -1.072 1.00 23.22 H new ATOM 0 HA ARG A 76 -10.021 -0.631 0.229 1.00 2.33 H new ATOM 0 HB2 ARG A 76 -11.905 -2.110 -0.208 1.00 24.00 H new ATOM 0 HB3 ARG A 76 -10.947 -1.960 -1.668 1.00 24.00 H new ATOM 0 HG2 ARG A 76 -10.961 -4.241 -1.704 1.00 2.43 H new ATOM 0 HG3 ARG A 76 -9.735 -4.135 -0.456 1.00 2.43 H new ATOM 0 HD2 ARG A 76 -11.266 -4.580 1.286 1.00 4.12 H new ATOM 0 HD3 ARG A 76 -12.643 -4.000 0.370 1.00 4.12 H new ATOM 0 HE ARG A 76 -11.363 -6.366 -0.837 1.00 31.31 H new ATOM 0 HH11 ARG A 76 -12.537 -8.282 -0.872 1.00 25.04 H new ATOM 0 HH12 ARG A 76 -13.981 -8.478 0.126 1.00 25.04 H new ATOM 0 HH21 ARG A 76 -13.782 -5.230 1.533 1.00 11.44 H new ATOM 0 HH22 ARG A 76 -14.696 -6.741 1.499 1.00 11.44 H new ATOM 1166 N ALA A 77 -10.933 -2.357 2.184 1.00 1.13 N ATOM 1167 CA ALA A 77 -11.038 -2.918 3.521 1.00 64.15 C ATOM 1168 C ALA A 77 -12.032 -4.081 3.504 1.00 2.12 C ATOM 1169 O ALA A 77 -13.018 -4.049 2.769 1.00 23.13 O ATOM 1170 CB ALA A 77 -11.441 -1.819 4.506 1.00 75.43 C ATOM 0 H ALA A 77 -11.810 -2.009 1.797 1.00 1.13 H new ATOM 0 HA ALA A 77 -10.076 -3.312 3.849 1.00 64.15 H new ATOM 0 HB1 ALA A 77 -11.520 -2.240 5.508 1.00 75.43 H new ATOM 0 HB2 ALA A 77 -10.687 -1.032 4.501 1.00 75.43 H new ATOM 0 HB3 ALA A 77 -12.404 -1.401 4.211 1.00 75.43 H new ATOM 1176 N LEU A 78 -11.738 -5.080 4.323 1.00 33.13 N ATOM 1177 CA LEU A 78 -12.594 -6.251 4.412 1.00 12.12 C ATOM 1178 C LEU A 78 -13.904 -5.868 5.104 1.00 72.40 C ATOM 1179 O LEU A 78 -13.986 -4.827 5.753 1.00 13.14 O ATOM 1180 CB LEU A 78 -11.854 -7.405 5.091 1.00 33.14 C ATOM 1181 CG LEU A 78 -10.644 -7.962 4.338 1.00 12.45 C ATOM 1182 CD1 LEU A 78 -10.947 -8.107 2.846 1.00 63.21 C ATOM 1183 CD2 LEU A 78 -9.401 -7.106 4.590 1.00 22.45 C ATOM 0 H LEU A 78 -10.919 -5.103 4.931 1.00 33.13 H new ATOM 0 HA LEU A 78 -12.852 -6.611 3.416 1.00 12.12 H new ATOM 0 HB2 LEU A 78 -11.522 -7.069 6.074 1.00 33.14 H new ATOM 0 HB3 LEU A 78 -12.561 -8.218 5.254 1.00 33.14 H new ATOM 0 HG LEU A 78 -10.431 -8.960 4.722 1.00 12.45 H new ATOM 0 HD11 LEU A 78 -10.071 -8.505 2.334 1.00 63.21 H new ATOM 0 HD12 LEU A 78 -11.787 -8.788 2.710 1.00 63.21 H new ATOM 0 HD13 LEU A 78 -11.199 -7.132 2.429 1.00 63.21 H new ATOM 0 HD21 LEU A 78 -8.555 -7.523 4.044 1.00 22.45 H new ATOM 0 HD22 LEU A 78 -9.586 -6.087 4.250 1.00 22.45 H new ATOM 0 HD23 LEU A 78 -9.175 -7.097 5.656 1.00 22.45 H new ATOM 1195 N SER A 79 -14.896 -6.731 4.941 1.00 31.42 N ATOM 1196 CA SER A 79 -16.198 -6.497 5.542 1.00 53.01 C ATOM 1197 C SER A 79 -16.134 -6.756 7.048 1.00 21.44 C ATOM 1198 O SER A 79 -15.169 -7.339 7.541 1.00 41.20 O ATOM 1199 CB SER A 79 -17.269 -7.379 4.897 1.00 52.22 C ATOM 1200 OG SER A 79 -18.550 -7.183 5.490 1.00 52.14 O ATOM 0 H SER A 79 -14.824 -7.594 4.401 1.00 31.42 H new ATOM 0 HA SER A 79 -16.471 -5.456 5.370 1.00 53.01 H new ATOM 0 HB2 SER A 79 -17.326 -7.160 3.831 1.00 52.22 H new ATOM 0 HB3 SER A 79 -16.982 -8.426 4.992 1.00 52.22 H new ATOM 0 HG SER A 79 -19.206 -7.762 5.050 1.00 52.14 H new ATOM 1206 N ASP A 80 -17.174 -6.311 7.738 1.00 22.31 N ATOM 1207 CA ASP A 80 -17.248 -6.488 9.178 1.00 3.15 C ATOM 1208 C ASP A 80 -17.205 -7.981 9.508 1.00 71.54 C ATOM 1209 O ASP A 80 -16.801 -8.368 10.603 1.00 24.11 O ATOM 1210 CB ASP A 80 -18.553 -5.918 9.737 1.00 2.21 C ATOM 1211 CG ASP A 80 -18.802 -4.442 9.420 1.00 51.04 C ATOM 1212 OD1 ASP A 80 -18.970 -4.059 8.252 1.00 31.51 O ATOM 1213 OD2 ASP A 80 -18.820 -3.659 10.445 1.00 74.32 O ATOM 0 H ASP A 80 -17.972 -5.828 7.326 1.00 22.31 H new ATOM 0 HA ASP A 80 -16.404 -5.963 9.625 1.00 3.15 H new ATOM 0 HB2 ASP A 80 -19.385 -6.504 9.345 1.00 2.21 H new ATOM 0 HB3 ASP A 80 -18.554 -6.047 10.819 1.00 2.21 H new ATOM 1219 N ALA A 81 -17.628 -8.781 8.539 1.00 10.51 N ATOM 1220 CA ALA A 81 -17.643 -10.223 8.712 1.00 33.22 C ATOM 1221 C ALA A 81 -16.284 -10.796 8.305 1.00 52.21 C ATOM 1222 O ALA A 81 -15.628 -11.470 9.097 1.00 32.40 O ATOM 1223 CB ALA A 81 -18.795 -10.822 7.903 1.00 62.55 C ATOM 0 H ALA A 81 -17.963 -8.457 7.632 1.00 10.51 H new ATOM 0 HA ALA A 81 -17.809 -10.482 9.758 1.00 33.22 H new ATOM 0 HB1 ALA A 81 -18.806 -11.904 8.033 1.00 62.55 H new ATOM 0 HB2 ALA A 81 -19.740 -10.405 8.251 1.00 62.55 H new ATOM 0 HB3 ALA A 81 -18.661 -10.584 6.848 1.00 62.55 H new ATOM 1229 N GLU A 82 -15.902 -10.506 7.070 1.00 3.40 N ATOM 1230 CA GLU A 82 -14.633 -10.983 6.548 1.00 64.21 C ATOM 1231 C GLU A 82 -13.539 -10.854 7.610 1.00 11.42 C ATOM 1232 O GLU A 82 -12.796 -11.801 7.860 1.00 60.41 O ATOM 1233 CB GLU A 82 -14.248 -10.233 5.271 1.00 71.41 C ATOM 1234 CG GLU A 82 -15.143 -10.647 4.101 1.00 33.43 C ATOM 1235 CD GLU A 82 -15.311 -9.498 3.106 1.00 51.24 C ATOM 1236 OE1 GLU A 82 -16.426 -8.981 2.937 1.00 63.50 O ATOM 1237 OE2 GLU A 82 -14.231 -9.143 2.496 1.00 11.50 O ATOM 0 H GLU A 82 -16.449 -9.947 6.416 1.00 3.40 H new ATOM 0 HA GLU A 82 -14.742 -12.037 6.292 1.00 64.21 H new ATOM 0 HB2 GLU A 82 -14.333 -9.159 5.436 1.00 71.41 H new ATOM 0 HB3 GLU A 82 -13.206 -10.436 5.026 1.00 71.41 H new ATOM 0 HG2 GLU A 82 -14.710 -11.510 3.595 1.00 33.43 H new ATOM 0 HG3 GLU A 82 -16.119 -10.954 4.476 1.00 33.43 H new ATOM 1245 N THR A 83 -13.475 -9.672 8.207 1.00 34.50 N ATOM 1246 CA THR A 83 -12.485 -9.407 9.237 1.00 51.33 C ATOM 1247 C THR A 83 -12.742 -10.284 10.463 1.00 35.22 C ATOM 1248 O THR A 83 -11.803 -10.746 11.109 1.00 2.30 O ATOM 1249 CB THR A 83 -12.514 -7.908 9.545 1.00 63.44 C ATOM 1250 OG1 THR A 83 -11.922 -7.307 8.396 1.00 13.44 O ATOM 1251 CG2 THR A 83 -11.574 -7.528 10.690 1.00 22.05 C ATOM 0 H THR A 83 -14.093 -8.888 7.997 1.00 34.50 H new ATOM 0 HA THR A 83 -11.482 -9.665 8.897 1.00 51.33 H new ATOM 0 HB THR A 83 -13.531 -7.608 9.796 1.00 63.44 H new ATOM 0 HG1 THR A 83 -12.565 -6.696 7.978 1.00 13.44 H new ATOM 0 HG21 THR A 83 -11.633 -6.454 10.868 1.00 22.05 H new ATOM 0 HG22 THR A 83 -11.867 -8.062 11.594 1.00 22.05 H new ATOM 0 HG23 THR A 83 -10.551 -7.797 10.425 1.00 22.05 H new ATOM 1259 N LYS A 84 -14.020 -10.488 10.747 1.00 33.25 N ATOM 1260 CA LYS A 84 -14.413 -11.302 11.885 1.00 33.22 C ATOM 1261 C LYS A 84 -13.896 -12.729 11.689 1.00 2.41 C ATOM 1262 O LYS A 84 -13.401 -13.348 12.630 1.00 40.04 O ATOM 1263 CB LYS A 84 -15.925 -11.221 12.105 1.00 32.32 C ATOM 1264 CG LYS A 84 -16.273 -10.140 13.130 1.00 10.03 C ATOM 1265 CD LYS A 84 -15.902 -10.587 14.546 1.00 53.02 C ATOM 1266 CE LYS A 84 -16.148 -9.465 15.557 1.00 61.31 C ATOM 1267 NZ LYS A 84 -16.051 -9.984 16.940 1.00 41.32 N ATOM 0 H LYS A 84 -14.797 -10.104 10.209 1.00 33.25 H new ATOM 0 HA LYS A 84 -13.960 -10.921 12.800 1.00 33.22 H new ATOM 0 HB2 LYS A 84 -16.422 -11.004 11.160 1.00 32.32 H new ATOM 0 HB3 LYS A 84 -16.298 -12.186 12.448 1.00 32.32 H new ATOM 0 HG2 LYS A 84 -15.745 -9.218 12.886 1.00 10.03 H new ATOM 0 HG3 LYS A 84 -17.339 -9.918 13.082 1.00 10.03 H new ATOM 0 HD2 LYS A 84 -16.489 -11.464 14.820 1.00 53.02 H new ATOM 0 HD3 LYS A 84 -14.854 -10.884 14.575 1.00 53.02 H new ATOM 0 HE2 LYS A 84 -15.419 -8.668 15.409 1.00 61.31 H new ATOM 0 HE3 LYS A 84 -17.134 -9.030 15.394 1.00 61.31 H new ATOM 0 HZ1 LYS A 84 -16.220 -9.210 17.614 1.00 41.32 H new ATOM 0 HZ2 LYS A 84 -16.763 -10.729 17.082 1.00 41.32 H new ATOM 0 HZ3 LYS A 84 -15.101 -10.378 17.097 1.00 41.32 H new ATOM 1280 N ALA A 85 -14.028 -13.208 10.461 1.00 21.42 N ATOM 1281 CA ALA A 85 -13.580 -14.550 10.130 1.00 62.32 C ATOM 1282 C ALA A 85 -12.050 -14.587 10.128 1.00 12.31 C ATOM 1283 O ALA A 85 -11.448 -15.529 10.640 1.00 64.02 O ATOM 1284 CB ALA A 85 -14.174 -14.969 8.784 1.00 75.32 C ATOM 0 H ALA A 85 -14.439 -12.691 9.683 1.00 21.42 H new ATOM 0 HA ALA A 85 -13.926 -15.265 10.877 1.00 62.32 H new ATOM 0 HB1 ALA A 85 -13.838 -15.976 8.536 1.00 75.32 H new ATOM 0 HB2 ALA A 85 -15.262 -14.955 8.846 1.00 75.32 H new ATOM 0 HB3 ALA A 85 -13.846 -14.276 8.010 1.00 75.32 H new ATOM 1290 N PHE A 86 -11.466 -13.549 9.547 1.00 31.20 N ATOM 1291 CA PHE A 86 -10.018 -13.451 9.472 1.00 13.40 C ATOM 1292 C PHE A 86 -9.421 -13.105 10.837 1.00 2.44 C ATOM 1293 O PHE A 86 -8.208 -13.186 11.027 1.00 32.30 O ATOM 1294 CB PHE A 86 -9.697 -12.324 8.488 1.00 72.12 C ATOM 1295 CG PHE A 86 -8.230 -12.273 8.057 1.00 23.45 C ATOM 1296 CD1 PHE A 86 -7.611 -11.074 7.892 1.00 41.34 C ATOM 1297 CD2 PHE A 86 -7.544 -13.428 7.841 1.00 53.22 C ATOM 1298 CE1 PHE A 86 -6.249 -11.027 7.492 1.00 11.41 C ATOM 1299 CE2 PHE A 86 -6.182 -13.381 7.441 1.00 15.33 C ATOM 1300 CZ PHE A 86 -5.564 -12.181 7.275 1.00 24.04 C ATOM 0 H PHE A 86 -11.969 -12.769 9.124 1.00 31.20 H new ATOM 0 HA PHE A 86 -9.596 -14.404 9.152 1.00 13.40 H new ATOM 0 HB2 PHE A 86 -10.321 -12.440 7.602 1.00 72.12 H new ATOM 0 HB3 PHE A 86 -9.964 -11.371 8.944 1.00 72.12 H new ATOM 0 HD1 PHE A 86 -8.155 -10.157 8.065 1.00 41.34 H new ATOM 0 HD2 PHE A 86 -8.035 -14.381 7.974 1.00 53.22 H new ATOM 0 HE1 PHE A 86 -5.757 -10.074 7.360 1.00 11.41 H new ATOM 0 HE2 PHE A 86 -5.637 -14.298 7.269 1.00 15.33 H new ATOM 0 HZ PHE A 86 -4.528 -12.145 6.971 1.00 24.04 H new ATOM 1310 N LEU A 87 -10.300 -12.726 11.753 1.00 3.54 N ATOM 1311 CA LEU A 87 -9.874 -12.367 13.096 1.00 52.23 C ATOM 1312 C LEU A 87 -9.741 -13.636 13.940 1.00 14.21 C ATOM 1313 O LEU A 87 -8.695 -13.881 14.538 1.00 63.34 O ATOM 1314 CB LEU A 87 -10.819 -11.324 13.697 1.00 72.33 C ATOM 1315 CG LEU A 87 -10.623 -11.019 15.183 1.00 44.51 C ATOM 1316 CD1 LEU A 87 -9.192 -10.554 15.462 1.00 30.05 C ATOM 1317 CD2 LEU A 87 -11.660 -10.008 15.677 1.00 71.33 C ATOM 0 H LEU A 87 -11.305 -12.660 11.592 1.00 3.54 H new ATOM 0 HA LEU A 87 -8.891 -11.896 13.071 1.00 52.23 H new ATOM 0 HB2 LEU A 87 -10.706 -10.395 13.138 1.00 72.33 H new ATOM 0 HB3 LEU A 87 -11.844 -11.663 13.548 1.00 72.33 H new ATOM 0 HG LEU A 87 -10.779 -11.940 15.744 1.00 44.51 H new ATOM 0 HD11 LEU A 87 -9.079 -10.344 16.525 1.00 30.05 H new ATOM 0 HD12 LEU A 87 -8.492 -11.337 15.170 1.00 30.05 H new ATOM 0 HD13 LEU A 87 -8.985 -9.650 14.889 1.00 30.05 H new ATOM 0 HD21 LEU A 87 -11.498 -9.809 16.736 1.00 71.33 H new ATOM 0 HD22 LEU A 87 -11.560 -9.080 15.114 1.00 71.33 H new ATOM 0 HD23 LEU A 87 -12.661 -10.414 15.533 1.00 71.33 H new ATOM 1329 N LYS A 88 -10.817 -14.409 13.962 1.00 13.45 N ATOM 1330 CA LYS A 88 -10.834 -15.646 14.724 1.00 72.22 C ATOM 1331 C LYS A 88 -10.014 -16.705 13.985 1.00 24.41 C ATOM 1332 O LYS A 88 -9.377 -17.551 14.612 1.00 71.12 O ATOM 1333 CB LYS A 88 -12.273 -16.076 15.016 1.00 72.14 C ATOM 1334 CG LYS A 88 -12.780 -15.447 16.315 1.00 34.51 C ATOM 1335 CD LYS A 88 -13.841 -16.332 16.974 1.00 2.45 C ATOM 1336 CE LYS A 88 -13.889 -16.096 18.485 1.00 11.34 C ATOM 1337 NZ LYS A 88 -15.187 -16.542 19.038 1.00 14.34 N ATOM 0 H LYS A 88 -11.683 -14.203 13.464 1.00 13.45 H new ATOM 0 HA LYS A 88 -10.366 -15.501 15.698 1.00 72.22 H new ATOM 0 HB2 LYS A 88 -12.919 -15.782 14.189 1.00 72.14 H new ATOM 0 HB3 LYS A 88 -12.324 -17.162 15.090 1.00 72.14 H new ATOM 0 HG2 LYS A 88 -11.946 -15.300 17.002 1.00 34.51 H new ATOM 0 HG3 LYS A 88 -13.200 -14.463 16.107 1.00 34.51 H new ATOM 0 HD2 LYS A 88 -14.818 -16.121 16.538 1.00 2.45 H new ATOM 0 HD3 LYS A 88 -13.622 -17.381 16.773 1.00 2.45 H new ATOM 0 HE2 LYS A 88 -13.076 -16.636 18.969 1.00 11.34 H new ATOM 0 HE3 LYS A 88 -13.740 -15.038 18.699 1.00 11.34 H new ATOM 0 HZ1 LYS A 88 -15.203 -16.375 20.064 1.00 14.34 H new ATOM 0 HZ2 LYS A 88 -15.958 -16.008 18.588 1.00 14.34 H new ATOM 0 HZ3 LYS A 88 -15.314 -17.557 18.851 1.00 14.34 H new ATOM 1350 N ALA A 89 -10.055 -16.625 12.663 1.00 11.44 N ATOM 1351 CA ALA A 89 -9.323 -17.566 11.833 1.00 53.23 C ATOM 1352 C ALA A 89 -7.873 -17.644 12.315 1.00 74.54 C ATOM 1353 O ALA A 89 -7.234 -18.689 12.203 1.00 72.50 O ATOM 1354 CB ALA A 89 -9.428 -17.142 10.366 1.00 12.44 C ATOM 0 H ALA A 89 -10.584 -15.923 12.146 1.00 11.44 H new ATOM 0 HA ALA A 89 -9.752 -18.565 11.915 1.00 53.23 H new ATOM 0 HB1 ALA A 89 -8.879 -17.848 9.743 1.00 12.44 H new ATOM 0 HB2 ALA A 89 -10.475 -17.131 10.065 1.00 12.44 H new ATOM 0 HB3 ALA A 89 -9.005 -16.145 10.244 1.00 12.44 H new ATOM 1360 N GLY A 90 -7.397 -16.526 12.840 1.00 5.33 N ATOM 1361 CA GLY A 90 -6.034 -16.455 13.340 1.00 42.13 C ATOM 1362 C GLY A 90 -6.015 -16.212 14.850 1.00 34.33 C ATOM 1363 O GLY A 90 -5.511 -17.039 15.609 1.00 12.32 O ATOM 0 H GLY A 90 -7.930 -15.661 12.930 1.00 5.33 H new ATOM 0 HA2 GLY A 90 -5.510 -17.383 13.111 1.00 42.13 H new ATOM 0 HA3 GLY A 90 -5.498 -15.653 12.832 1.00 42.13 H new ATOM 1367 N ASP A 91 -6.571 -15.075 15.242 1.00 73.14 N ATOM 1368 CA ASP A 91 -6.625 -14.713 16.648 1.00 60.41 C ATOM 1369 C ASP A 91 -7.306 -15.836 17.433 1.00 14.11 C ATOM 1370 O ASP A 91 -8.524 -15.828 17.604 1.00 54.01 O ATOM 1371 CB ASP A 91 -7.434 -13.432 16.856 1.00 13.14 C ATOM 1372 CG ASP A 91 -7.003 -12.582 18.053 1.00 4.11 C ATOM 1373 OD1 ASP A 91 -6.031 -12.908 18.751 1.00 63.13 O ATOM 1374 OD2 ASP A 91 -7.720 -11.530 18.262 1.00 44.04 O ATOM 0 H ASP A 91 -6.988 -14.392 14.610 1.00 73.14 H new ATOM 0 HA ASP A 91 -5.604 -14.554 16.995 1.00 60.41 H new ATOM 0 HB2 ASP A 91 -7.363 -12.825 15.954 1.00 13.14 H new ATOM 0 HB3 ASP A 91 -8.484 -13.699 16.978 1.00 13.14 H new ATOM 1380 N SER A 92 -6.491 -16.775 17.890 1.00 44.40 N ATOM 1381 CA SER A 92 -6.999 -17.902 18.653 1.00 14.30 C ATOM 1382 C SER A 92 -7.594 -17.413 19.975 1.00 14.41 C ATOM 1383 O SER A 92 -8.727 -17.663 20.337 1.00 53.23 O ATOM 1384 CB SER A 92 -5.898 -18.931 18.915 1.00 35.31 C ATOM 1385 OG SER A 92 -6.147 -20.162 18.242 1.00 74.25 O ATOM 0 H SER A 92 -5.481 -16.778 17.746 1.00 44.40 H new ATOM 0 HA SER A 92 -7.780 -18.387 18.068 1.00 14.30 H new ATOM 0 HB2 SER A 92 -4.939 -18.527 18.589 1.00 35.31 H new ATOM 0 HB3 SER A 92 -5.820 -19.113 19.987 1.00 35.31 H new ATOM 0 HG SER A 92 -5.421 -20.792 18.433 1.00 74.25 H new ATOM 1391 N ASP A 93 -6.791 -16.693 20.708 1.00 1.33 N ATOM 1392 CA ASP A 93 -7.255 -16.152 22.017 1.00 44.41 C ATOM 1393 C ASP A 93 -8.279 -15.035 21.789 1.00 62.14 C ATOM 1394 O ASP A 93 -8.956 -14.670 22.748 1.00 34.42 O ATOM 1395 CB ASP A 93 -5.996 -15.597 22.684 1.00 5.03 C ATOM 1396 CG ASP A 93 -5.228 -14.728 21.687 1.00 60.35 C ATOM 1397 OD1 ASP A 93 -5.843 -14.262 20.741 1.00 45.31 O ATOM 1398 OD2 ASP A 93 -4.038 -14.544 21.882 1.00 23.34 O ATOM 0 H ASP A 93 -5.831 -16.455 20.457 1.00 1.33 H new ATOM 0 HA ASP A 93 -7.740 -16.910 22.632 1.00 44.41 H new ATOM 0 HB2 ASP A 93 -6.266 -15.009 23.561 1.00 5.03 H new ATOM 0 HB3 ASP A 93 -5.365 -16.415 23.030 1.00 5.03 H new ATOM 1403 N GLY A 94 -8.370 -14.526 20.569 1.00 43.41 N ATOM 1404 CA GLY A 94 -9.312 -13.461 20.271 1.00 11.51 C ATOM 1405 C GLY A 94 -9.412 -12.475 21.437 1.00 43.52 C ATOM 1406 O GLY A 94 -10.431 -12.421 22.124 1.00 43.34 O ATOM 0 H GLY A 94 -7.807 -14.832 19.775 1.00 43.41 H new ATOM 0 HA2 GLY A 94 -8.997 -12.934 19.370 1.00 11.51 H new ATOM 0 HA3 GLY A 94 -10.294 -13.886 20.065 1.00 11.51 H new ATOM 1410 N ASP A 95 -8.340 -11.719 21.624 1.00 4.12 N ATOM 1411 CA ASP A 95 -8.293 -10.738 22.695 1.00 54.31 C ATOM 1412 C ASP A 95 -8.760 -9.382 22.159 1.00 24.53 C ATOM 1413 O ASP A 95 -9.063 -8.476 22.934 1.00 45.15 O ATOM 1414 CB ASP A 95 -6.869 -10.571 23.228 1.00 51.11 C ATOM 1415 CG ASP A 95 -6.121 -11.879 23.494 1.00 1.40 C ATOM 1416 OD1 ASP A 95 -4.882 -11.922 23.469 1.00 61.01 O ATOM 1417 OD2 ASP A 95 -6.874 -12.897 23.739 1.00 64.34 O ATOM 0 H ASP A 95 -7.497 -11.766 21.052 1.00 4.12 H new ATOM 0 HA ASP A 95 -8.940 -11.086 23.500 1.00 54.31 H new ATOM 0 HB2 ASP A 95 -6.296 -9.981 22.512 1.00 51.11 H new ATOM 0 HB3 ASP A 95 -6.909 -9.998 24.154 1.00 51.11 H new ATOM 1423 N GLY A 96 -8.803 -9.287 20.839 1.00 64.14 N ATOM 1424 CA GLY A 96 -9.227 -8.058 20.190 1.00 2.24 C ATOM 1425 C GLY A 96 -8.158 -7.553 19.219 1.00 71.34 C ATOM 1426 O GLY A 96 -8.326 -6.507 18.594 1.00 74.34 O ATOM 0 H GLY A 96 -8.551 -10.041 20.200 1.00 64.14 H new ATOM 0 HA2 GLY A 96 -10.160 -8.230 19.652 1.00 2.24 H new ATOM 0 HA3 GLY A 96 -9.429 -7.296 20.943 1.00 2.24 H new ATOM 1430 N LYS A 97 -7.082 -8.320 19.122 1.00 73.51 N ATOM 1431 CA LYS A 97 -5.986 -7.964 18.237 1.00 73.42 C ATOM 1432 C LYS A 97 -5.359 -9.240 17.670 1.00 55.32 C ATOM 1433 O LYS A 97 -5.642 -10.339 18.145 1.00 51.35 O ATOM 1434 CB LYS A 97 -4.988 -7.057 18.958 1.00 10.25 C ATOM 1435 CG LYS A 97 -5.703 -5.889 19.641 1.00 41.21 C ATOM 1436 CD LYS A 97 -4.711 -5.010 20.406 1.00 61.41 C ATOM 1437 CE LYS A 97 -4.055 -5.790 21.547 1.00 21.22 C ATOM 1438 NZ LYS A 97 -3.173 -4.905 22.340 1.00 40.30 N ATOM 0 H LYS A 97 -6.946 -9.187 19.642 1.00 73.51 H new ATOM 0 HA LYS A 97 -6.353 -7.385 17.390 1.00 73.42 H new ATOM 0 HB2 LYS A 97 -4.437 -7.634 19.700 1.00 10.25 H new ATOM 0 HB3 LYS A 97 -4.258 -6.674 18.245 1.00 10.25 H new ATOM 0 HG2 LYS A 97 -6.224 -5.290 18.894 1.00 41.21 H new ATOM 0 HG3 LYS A 97 -6.459 -6.272 20.327 1.00 41.21 H new ATOM 0 HD2 LYS A 97 -3.944 -4.642 19.724 1.00 61.41 H new ATOM 0 HD3 LYS A 97 -5.227 -4.137 20.807 1.00 61.41 H new ATOM 0 HE2 LYS A 97 -4.823 -6.219 22.191 1.00 21.22 H new ATOM 0 HE3 LYS A 97 -3.477 -6.621 21.142 1.00 21.22 H new ATOM 0 HZ1 LYS A 97 -2.736 -5.450 23.110 1.00 40.30 H new ATOM 0 HZ2 LYS A 97 -2.429 -4.516 21.726 1.00 40.30 H new ATOM 0 HZ3 LYS A 97 -3.733 -4.126 22.742 1.00 40.30 H new ATOM 1451 N ILE A 98 -4.520 -9.051 16.662 1.00 11.12 N ATOM 1452 CA ILE A 98 -3.851 -10.173 16.025 1.00 1.54 C ATOM 1453 C ILE A 98 -2.344 -9.909 15.991 1.00 72.03 C ATOM 1454 O ILE A 98 -1.874 -9.072 15.221 1.00 33.24 O ATOM 1455 CB ILE A 98 -4.459 -10.448 14.649 1.00 41.34 C ATOM 1456 CG1 ILE A 98 -5.711 -11.319 14.766 1.00 13.24 C ATOM 1457 CG2 ILE A 98 -3.422 -11.059 13.704 1.00 53.13 C ATOM 1458 CD1 ILE A 98 -6.034 -11.998 13.434 1.00 21.30 C ATOM 0 H ILE A 98 -4.288 -8.138 16.271 1.00 11.12 H new ATOM 0 HA ILE A 98 -4.002 -11.085 16.602 1.00 1.54 H new ATOM 0 HB ILE A 98 -4.769 -9.497 14.216 1.00 41.34 H new ATOM 0 HG12 ILE A 98 -5.561 -12.075 15.537 1.00 13.24 H new ATOM 0 HG13 ILE A 98 -6.556 -10.707 15.080 1.00 13.24 H new ATOM 0 HG21 ILE A 98 -3.880 -11.245 12.732 1.00 53.13 H new ATOM 0 HG22 ILE A 98 -2.587 -10.369 13.585 1.00 53.13 H new ATOM 0 HG23 ILE A 98 -3.060 -11.999 14.120 1.00 53.13 H new ATOM 0 HD11 ILE A 98 -6.928 -12.611 13.546 1.00 21.30 H new ATOM 0 HD12 ILE A 98 -6.207 -11.239 12.671 1.00 21.30 H new ATOM 0 HD13 ILE A 98 -5.197 -12.629 13.135 1.00 21.30 H new ATOM 1470 N GLY A 99 -1.629 -10.639 16.834 1.00 44.13 N ATOM 1471 CA GLY A 99 -0.185 -10.495 16.909 1.00 3.53 C ATOM 1472 C GLY A 99 0.507 -11.333 15.833 1.00 42.04 C ATOM 1473 O GLY A 99 -0.124 -11.745 14.860 1.00 2.53 O ATOM 0 H GLY A 99 -2.022 -11.332 17.471 1.00 44.13 H new ATOM 0 HA2 GLY A 99 0.086 -9.446 16.788 1.00 3.53 H new ATOM 0 HA3 GLY A 99 0.164 -10.803 17.895 1.00 3.53 H new ATOM 1477 N ILE A 100 1.795 -11.561 16.042 1.00 24.15 N ATOM 1478 CA ILE A 100 2.580 -12.343 15.102 1.00 71.00 C ATOM 1479 C ILE A 100 2.330 -13.832 15.350 1.00 0.12 C ATOM 1480 O ILE A 100 2.246 -14.617 14.407 1.00 52.43 O ATOM 1481 CB ILE A 100 4.056 -11.946 15.176 1.00 72.54 C ATOM 1482 CG1 ILE A 100 4.695 -11.952 13.786 1.00 61.55 C ATOM 1483 CG2 ILE A 100 4.815 -12.839 16.160 1.00 51.05 C ATOM 1484 CD1 ILE A 100 4.512 -13.310 13.104 1.00 40.13 C ATOM 0 H ILE A 100 2.315 -11.218 16.849 1.00 24.15 H new ATOM 0 HA ILE A 100 2.269 -12.133 14.079 1.00 71.00 H new ATOM 0 HB ILE A 100 4.117 -10.926 15.554 1.00 72.54 H new ATOM 0 HG12 ILE A 100 4.247 -11.170 13.173 1.00 61.55 H new ATOM 0 HG13 ILE A 100 5.757 -11.723 13.869 1.00 61.55 H new ATOM 0 HG21 ILE A 100 5.861 -12.536 16.194 1.00 51.05 H new ATOM 0 HG22 ILE A 100 4.377 -12.741 17.153 1.00 51.05 H new ATOM 0 HG23 ILE A 100 4.748 -13.877 15.835 1.00 51.05 H new ATOM 0 HD11 ILE A 100 4.975 -13.287 12.118 1.00 40.13 H new ATOM 0 HD12 ILE A 100 4.982 -14.087 13.708 1.00 40.13 H new ATOM 0 HD13 ILE A 100 3.448 -13.525 13.000 1.00 40.13 H new ATOM 1496 N ASP A 101 2.219 -14.176 16.625 1.00 75.13 N ATOM 1497 CA ASP A 101 1.980 -15.557 17.009 1.00 40.00 C ATOM 1498 C ASP A 101 0.557 -15.954 16.611 1.00 12.15 C ATOM 1499 O ASP A 101 0.233 -17.139 16.550 1.00 65.05 O ATOM 1500 CB ASP A 101 2.116 -15.739 18.522 1.00 65.22 C ATOM 1501 CG ASP A 101 3.092 -14.777 19.204 1.00 72.54 C ATOM 1502 OD1 ASP A 101 2.686 -13.755 19.776 1.00 33.30 O ATOM 1503 OD2 ASP A 101 4.334 -15.118 19.130 1.00 40.32 O ATOM 0 H ASP A 101 2.290 -13.522 17.405 1.00 75.13 H new ATOM 0 HA ASP A 101 2.717 -16.180 16.503 1.00 40.00 H new ATOM 0 HB2 ASP A 101 1.133 -15.619 18.977 1.00 65.22 H new ATOM 0 HB3 ASP A 101 2.437 -16.761 18.722 1.00 65.22 H new ATOM 1509 N GLU A 102 -0.256 -14.940 16.352 1.00 5.24 N ATOM 1510 CA GLU A 102 -1.637 -15.168 15.963 1.00 44.04 C ATOM 1511 C GLU A 102 -1.787 -15.043 14.445 1.00 15.32 C ATOM 1512 O GLU A 102 -2.512 -15.818 13.824 1.00 73.32 O ATOM 1513 CB GLU A 102 -2.578 -14.204 16.688 1.00 25.45 C ATOM 1514 CG GLU A 102 -2.630 -14.513 18.186 1.00 22.11 C ATOM 1515 CD GLU A 102 -3.117 -13.299 18.979 1.00 1.25 C ATOM 1516 OE1 GLU A 102 -3.722 -12.410 18.342 1.00 44.21 O ATOM 1517 OE2 GLU A 102 -2.874 -13.287 20.206 1.00 64.25 O ATOM 0 H GLU A 102 0.016 -13.958 16.404 1.00 5.24 H new ATOM 0 HA GLU A 102 -1.914 -16.181 16.255 1.00 44.04 H new ATOM 0 HB2 GLU A 102 -2.242 -13.178 16.536 1.00 25.45 H new ATOM 0 HB3 GLU A 102 -3.579 -14.278 16.263 1.00 25.45 H new ATOM 0 HG2 GLU A 102 -3.295 -15.359 18.364 1.00 22.11 H new ATOM 0 HG3 GLU A 102 -1.640 -14.807 18.535 1.00 22.11 H new ATOM 1524 N PHE A 103 -1.091 -14.060 13.892 1.00 32.44 N ATOM 1525 CA PHE A 103 -1.139 -13.824 12.460 1.00 43.35 C ATOM 1526 C PHE A 103 -0.304 -14.860 11.705 1.00 62.04 C ATOM 1527 O PHE A 103 -0.570 -15.147 10.539 1.00 53.04 O ATOM 1528 CB PHE A 103 -0.547 -12.434 12.216 1.00 1.00 C ATOM 1529 CG PHE A 103 -0.244 -12.136 10.746 1.00 3.43 C ATOM 1530 CD1 PHE A 103 1.033 -12.216 10.285 1.00 24.25 C ATOM 1531 CD2 PHE A 103 -1.251 -11.790 9.901 1.00 51.23 C ATOM 1532 CE1 PHE A 103 1.315 -11.939 8.922 1.00 72.35 C ATOM 1533 CE2 PHE A 103 -0.970 -11.513 8.537 1.00 43.23 C ATOM 1534 CZ PHE A 103 0.307 -11.593 8.076 1.00 64.41 C ATOM 0 H PHE A 103 -0.491 -13.418 14.410 1.00 32.44 H new ATOM 0 HA PHE A 103 -2.167 -13.897 12.105 1.00 43.35 H new ATOM 0 HB2 PHE A 103 -1.242 -11.683 12.593 1.00 1.00 H new ATOM 0 HB3 PHE A 103 0.372 -12.335 12.793 1.00 1.00 H new ATOM 0 HD1 PHE A 103 1.833 -12.491 10.957 1.00 24.25 H new ATOM 0 HD2 PHE A 103 -2.265 -11.726 10.267 1.00 51.23 H new ATOM 0 HE1 PHE A 103 2.329 -12.003 8.556 1.00 72.35 H new ATOM 0 HE2 PHE A 103 -1.770 -11.239 7.866 1.00 43.23 H new ATOM 0 HZ PHE A 103 0.521 -11.382 7.039 1.00 64.41 H new ATOM 1544 N ALA A 104 0.690 -15.393 12.400 1.00 34.24 N ATOM 1545 CA ALA A 104 1.565 -16.391 11.810 1.00 22.54 C ATOM 1546 C ALA A 104 0.963 -17.782 12.023 1.00 54.31 C ATOM 1547 O ALA A 104 1.422 -18.758 11.433 1.00 25.32 O ATOM 1548 CB ALA A 104 2.965 -16.264 12.415 1.00 60.23 C ATOM 0 H ALA A 104 0.909 -15.152 13.367 1.00 34.24 H new ATOM 0 HA ALA A 104 1.657 -16.233 10.736 1.00 22.54 H new ATOM 0 HB1 ALA A 104 3.622 -17.013 11.972 1.00 60.23 H new ATOM 0 HB2 ALA A 104 3.360 -15.269 12.212 1.00 60.23 H new ATOM 0 HB3 ALA A 104 2.911 -16.420 13.492 1.00 60.23 H new ATOM 1554 N ALA A 105 -0.058 -17.827 12.867 1.00 5.41 N ATOM 1555 CA ALA A 105 -0.728 -19.081 13.165 1.00 41.02 C ATOM 1556 C ALA A 105 -1.692 -19.421 12.027 1.00 72.52 C ATOM 1557 O ALA A 105 -1.632 -20.513 11.463 1.00 34.34 O ATOM 1558 CB ALA A 105 -1.436 -18.973 14.517 1.00 72.13 C ATOM 0 H ALA A 105 -0.437 -17.015 13.354 1.00 5.41 H new ATOM 0 HA ALA A 105 -0.006 -19.894 13.240 1.00 41.02 H new ATOM 0 HB1 ALA A 105 -1.939 -19.914 14.741 1.00 72.13 H new ATOM 0 HB2 ALA A 105 -0.703 -18.759 15.295 1.00 72.13 H new ATOM 0 HB3 ALA A 105 -2.171 -18.169 14.480 1.00 72.13 H new ATOM 1564 N MET A 106 -2.559 -18.467 11.723 1.00 43.55 N ATOM 1565 CA MET A 106 -3.535 -18.652 10.662 1.00 45.51 C ATOM 1566 C MET A 106 -2.863 -19.143 9.378 1.00 25.02 C ATOM 1567 O MET A 106 -3.524 -19.693 8.498 1.00 4.45 O ATOM 1568 CB MET A 106 -4.250 -17.327 10.389 1.00 5.31 C ATOM 1569 CG MET A 106 -3.244 -16.213 10.089 1.00 13.23 C ATOM 1570 SD MET A 106 -4.012 -14.618 10.323 1.00 20.54 S ATOM 1571 CE MET A 106 -5.677 -14.996 9.802 1.00 63.43 C ATOM 0 H MET A 106 -2.606 -17.563 12.193 1.00 43.55 H new ATOM 0 HA MET A 106 -4.255 -19.404 10.984 1.00 45.51 H new ATOM 0 HB2 MET A 106 -4.931 -17.444 9.546 1.00 5.31 H new ATOM 0 HB3 MET A 106 -4.856 -17.052 11.252 1.00 5.31 H new ATOM 0 HG2 MET A 106 -2.378 -16.308 10.743 1.00 13.23 H new ATOM 0 HG3 MET A 106 -2.882 -16.305 9.065 1.00 13.23 H new ATOM 0 HE1 MET A 106 -6.278 -14.087 9.818 1.00 63.43 H new ATOM 0 HE2 MET A 106 -5.658 -15.402 8.790 1.00 63.43 H new ATOM 0 HE3 MET A 106 -6.112 -15.731 10.479 1.00 63.43 H new ATOM 1581 N ILE A 107 -1.557 -18.927 9.312 1.00 60.43 N ATOM 1582 CA ILE A 107 -0.788 -19.342 8.150 1.00 13.43 C ATOM 1583 C ILE A 107 0.052 -20.568 8.511 1.00 4.14 C ATOM 1584 O ILE A 107 0.222 -21.471 7.694 1.00 34.51 O ATOM 1585 CB ILE A 107 0.033 -18.171 7.606 1.00 25.25 C ATOM 1586 CG1 ILE A 107 0.459 -17.229 8.734 1.00 14.24 C ATOM 1587 CG2 ILE A 107 -0.726 -17.435 6.500 1.00 24.44 C ATOM 1588 CD1 ILE A 107 1.285 -16.061 8.191 1.00 22.44 C ATOM 0 H ILE A 107 -1.012 -18.470 10.044 1.00 60.43 H new ATOM 0 HA ILE A 107 -1.453 -19.639 7.339 1.00 13.43 H new ATOM 0 HB ILE A 107 0.943 -18.571 7.160 1.00 25.25 H new ATOM 0 HG12 ILE A 107 -0.424 -16.847 9.247 1.00 14.24 H new ATOM 0 HG13 ILE A 107 1.043 -17.780 9.472 1.00 14.24 H new ATOM 0 HG21 ILE A 107 -0.120 -16.608 6.131 1.00 24.44 H new ATOM 0 HG22 ILE A 107 -0.936 -18.124 5.682 1.00 24.44 H new ATOM 0 HG23 ILE A 107 -1.664 -17.048 6.898 1.00 24.44 H new ATOM 0 HD11 ILE A 107 1.575 -15.407 9.013 1.00 22.44 H new ATOM 0 HD12 ILE A 107 2.179 -16.445 7.700 1.00 22.44 H new ATOM 0 HD13 ILE A 107 0.690 -15.498 7.472 1.00 22.44 H new ATOM 1600 N LYS A 108 0.557 -20.560 9.736 1.00 11.14 N ATOM 1601 CA LYS A 108 1.376 -21.660 10.216 1.00 72.43 C ATOM 1602 C LYS A 108 0.500 -22.902 10.396 1.00 54.24 C ATOM 1603 O LYS A 108 1.011 -24.010 10.546 1.00 71.42 O ATOM 1604 CB LYS A 108 2.133 -21.253 11.482 1.00 73.34 C ATOM 1605 CG LYS A 108 2.837 -22.457 12.110 1.00 24.21 C ATOM 1606 CD LYS A 108 4.065 -22.017 12.911 1.00 34.51 C ATOM 1607 CE LYS A 108 4.465 -23.086 13.931 1.00 44.55 C ATOM 1608 NZ LYS A 108 3.691 -22.924 15.182 1.00 61.55 N ATOM 0 H LYS A 108 0.415 -19.809 10.411 1.00 11.14 H new ATOM 0 HA LYS A 108 2.142 -21.913 9.482 1.00 72.43 H new ATOM 0 HB2 LYS A 108 2.866 -20.484 11.240 1.00 73.34 H new ATOM 0 HB3 LYS A 108 1.439 -20.817 12.201 1.00 73.34 H new ATOM 0 HG2 LYS A 108 2.144 -22.989 12.762 1.00 24.21 H new ATOM 0 HG3 LYS A 108 3.139 -23.155 11.329 1.00 24.21 H new ATOM 0 HD2 LYS A 108 4.897 -21.826 12.233 1.00 34.51 H new ATOM 0 HD3 LYS A 108 3.852 -21.080 13.425 1.00 34.51 H new ATOM 0 HE2 LYS A 108 4.291 -24.078 13.514 1.00 44.55 H new ATOM 0 HE3 LYS A 108 5.531 -23.013 14.144 1.00 44.55 H new ATOM 0 HZ1 LYS A 108 3.975 -23.657 15.863 1.00 61.55 H new ATOM 0 HZ2 LYS A 108 3.878 -21.984 15.587 1.00 61.55 H new ATOM 0 HZ3 LYS A 108 2.676 -23.017 14.977 1.00 61.55 H new ATOM 1621 N GLY A 109 -0.805 -22.674 10.374 1.00 14.13 N ATOM 1622 CA GLY A 109 -1.757 -23.760 10.533 1.00 15.01 C ATOM 1623 C GLY A 109 -3.135 -23.365 9.996 1.00 45.01 C ATOM 1624 O GLY A 109 -3.755 -24.123 9.252 1.00 51.43 O ATOM 0 H GLY A 109 -1.225 -21.753 10.248 1.00 14.13 H new ATOM 0 HA2 GLY A 109 -1.397 -24.644 10.006 1.00 15.01 H new ATOM 0 HA3 GLY A 109 -1.836 -24.027 11.587 1.00 15.01 H new