USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 808 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 65 LYS NZ :NH3+ 158:sc= 1.19 (180deg=-0.173) USER MOD Set 1.2: A 66 SER OG : rot 16:sc= 1.56 USER MOD Set 2.1: A 49 SER OG : rot -151:sc= 0.941 USER MOD Set 2.2: A 88 LYS NZ :NH3+ -179:sc= 2.25 (180deg=1.04) USER MOD Set 3.1: A 34 ASN : amide:sc= 0.959 K(o=1.8,f=-6.3!) USER MOD Set 3.2: A 37 LYS NZ :NH3+ 175:sc= 0.851 (180deg=-0.314) USER MOD Single : A 13 SER OG : rot -120:sc= 0.511 USER MOD Single : A 16 LYS NZ :NH3+ -128:sc= 1.17 (180deg=0.051) USER MOD Single : A 20 HIS : no HD1:sc= -0.0925 X(o=-0.092,f=-0.037) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00983) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0399 USER MOD Single : A 28 GLN : amide:sc=-0.00676 X(o=-0.0068,f=-0.36) USER MOD Single : A 30 MET CE :methyl -143:sc= -1.76 (180deg=-4.54!) USER MOD Single : A 31 ASN : amide:sc= -2.27! C(o=-2.3!,f=-7.5!) USER MOD Single : A 33 LYS NZ :NH3+ 156:sc= 1.32 (180deg=1.13) USER MOD Single : A 39 CYS SG : rot 71:sc= -0.7 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 82:sc= -4.35! USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= 1.56 (180deg=0.942) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -160:sc= 0.132 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -3:sc= 0.766 USER MOD Single : A 61 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0.896) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.176 K(o=0.18,f=-7.3!) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.0413 USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 0.749 (180deg=0.457) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= -0.371 (180deg=-0.371) USER MOD Single : A 84 THR OG1 : rot -26:sc= 0.506 USER MOD Single : A 85 LYS NZ :NH3+ -148:sc= 1.12 (180deg=-1.76!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 42:sc= 0.272 USER MOD Single : A 92 LYS NZ :NH3+ 134:sc= 1.18 (180deg=0.18) USER MOD Single : A 100 CYS SG : rot 83:sc= -0.516 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -122:sc= 0.633 (180deg=-0.728!) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 13.832 0.643 2.837 1.00 0.00 N ATOM 78 CA ILE A 7 13.378 -0.752 2.798 1.00 0.00 C ATOM 79 C ILE A 7 13.087 -1.199 1.349 1.00 0.00 C ATOM 80 O ILE A 7 12.010 -0.939 0.814 1.00 0.00 O ATOM 81 CB ILE A 7 12.111 -0.980 3.682 1.00 0.00 C ATOM 82 CG1 ILE A 7 12.393 -0.665 5.171 1.00 0.00 C ATOM 83 CG2 ILE A 7 11.605 -2.418 3.541 1.00 0.00 C ATOM 84 CD1 ILE A 7 12.569 0.809 5.487 1.00 0.00 C ATOM 0 HA ILE A 7 14.189 -1.357 3.204 1.00 0.00 H new ATOM 0 HB ILE A 7 11.341 -0.295 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.572 -1.056 5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.294 -1.198 5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.722 -2.556 4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.348 -2.613 2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.385 -3.111 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.762 0.932 6.553 1.00 0.00 H new ATOM 0 HD12 ILE A 7 13.410 1.205 4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.662 1.350 5.218 1.00 0.00 H new ATOM 96 N ALA A 8 14.061 -1.861 0.716 1.00 0.00 N ATOM 97 CA ALA A 8 13.903 -2.360 -0.661 1.00 0.00 C ATOM 98 C ALA A 8 12.884 -3.507 -0.728 1.00 0.00 C ATOM 99 O ALA A 8 12.250 -3.743 -1.764 1.00 0.00 O ATOM 100 CB ALA A 8 15.253 -2.810 -1.213 1.00 0.00 C ATOM 0 H ALA A 8 14.969 -2.066 1.133 1.00 0.00 H new ATOM 0 HA ALA A 8 13.522 -1.544 -1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.126 -3.177 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.944 -1.967 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.654 -3.607 -0.587 1.00 0.00 H new ATOM 106 N GLY A 9 12.732 -4.219 0.388 1.00 0.00 N ATOM 107 CA GLY A 9 11.726 -5.265 0.477 1.00 0.00 C ATOM 108 C GLY A 9 10.327 -4.753 0.158 1.00 0.00 C ATOM 109 O GLY A 9 9.484 -5.497 -0.338 1.00 0.00 O ATOM 0 H GLY A 9 13.289 -4.089 1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.981 -6.070 -0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.735 -5.689 1.481 1.00 0.00 H new ATOM 113 N LEU A 10 10.094 -3.466 0.425 1.00 0.00 N ATOM 114 CA LEU A 10 8.809 -2.828 0.134 1.00 0.00 C ATOM 115 C LEU A 10 8.473 -2.940 -1.362 1.00 0.00 C ATOM 116 O LEU A 10 7.320 -3.157 -1.738 1.00 0.00 O ATOM 117 CB LEU A 10 8.845 -1.355 0.565 1.00 0.00 C ATOM 118 CG LEU A 10 7.501 -0.616 0.503 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.497 -1.242 1.468 1.00 0.00 C ATOM 120 CD2 LEU A 10 7.686 0.874 0.794 1.00 0.00 C ATOM 0 H LEU A 10 10.783 -2.842 0.845 1.00 0.00 H new ATOM 0 HA LEU A 10 8.030 -3.342 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.222 -1.302 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.560 -0.827 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 10 7.104 -0.713 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.551 -0.704 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.337 -2.286 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.885 -1.183 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.720 1.377 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.110 1.000 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.360 1.308 0.055 1.00 0.00 H new ATOM 132 N GLU A 11 9.492 -2.794 -2.213 1.00 0.00 N ATOM 133 CA GLU A 11 9.330 -3.020 -3.652 1.00 0.00 C ATOM 134 C GLU A 11 9.070 -4.506 -3.930 1.00 0.00 C ATOM 135 O GLU A 11 8.196 -4.856 -4.719 1.00 0.00 O ATOM 136 CB GLU A 11 10.573 -2.556 -4.426 1.00 0.00 C ATOM 137 CG GLU A 11 10.437 -2.723 -5.937 1.00 0.00 C ATOM 138 CD GLU A 11 11.695 -2.341 -6.705 1.00 0.00 C ATOM 139 OE1 GLU A 11 12.562 -3.218 -6.907 1.00 0.00 O ATOM 140 OE2 GLU A 11 11.807 -1.175 -7.137 1.00 0.00 O ATOM 0 H GLU A 11 10.434 -2.522 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 11 8.474 -2.436 -3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.764 -1.507 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.440 -3.120 -4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.186 -3.760 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.606 -2.112 -6.289 1.00 0.00 H new ATOM 147 N GLU A 12 9.835 -5.376 -3.269 1.00 0.00 N ATOM 148 CA GLU A 12 9.669 -6.835 -3.413 1.00 0.00 C ATOM 149 C GLU A 12 8.220 -7.284 -3.119 1.00 0.00 C ATOM 150 O GLU A 12 7.634 -8.056 -3.881 1.00 0.00 O ATOM 151 CB GLU A 12 10.649 -7.571 -2.481 1.00 0.00 C ATOM 152 CG GLU A 12 10.525 -9.099 -2.497 1.00 0.00 C ATOM 153 CD GLU A 12 10.727 -9.709 -3.877 1.00 0.00 C ATOM 154 OE1 GLU A 12 11.745 -9.395 -4.532 1.00 0.00 O ATOM 155 OE2 GLU A 12 9.867 -10.506 -4.316 1.00 0.00 O ATOM 0 H GLU A 12 10.578 -5.102 -2.626 1.00 0.00 H new ATOM 0 HA GLU A 12 9.888 -7.091 -4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.667 -7.300 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.493 -7.218 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.258 -9.523 -1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.540 -9.380 -2.125 1.00 0.00 H new ATOM 162 N SER A 13 7.647 -6.796 -2.017 1.00 0.00 N ATOM 163 CA SER A 13 6.270 -7.153 -1.630 1.00 0.00 C ATOM 164 C SER A 13 5.237 -6.585 -2.616 1.00 0.00 C ATOM 165 O SER A 13 4.389 -7.320 -3.127 1.00 0.00 O ATOM 166 CB SER A 13 5.960 -6.660 -0.210 1.00 0.00 C ATOM 167 OG SER A 13 6.198 -5.267 -0.086 1.00 0.00 O ATOM 0 H SER A 13 8.110 -6.153 -1.374 1.00 0.00 H new ATOM 0 HA SER A 13 6.200 -8.240 -1.655 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.920 -6.877 0.034 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.575 -7.202 0.508 1.00 0.00 H new ATOM 0 HG SER A 13 6.883 -5.112 0.598 1.00 0.00 H new ATOM 173 N PHE A 14 5.309 -5.278 -2.879 1.00 0.00 N ATOM 174 CA PHE A 14 4.433 -4.633 -3.872 1.00 0.00 C ATOM 175 C PHE A 14 4.502 -5.356 -5.228 1.00 0.00 C ATOM 176 O PHE A 14 3.480 -5.654 -5.846 1.00 0.00 O ATOM 177 CB PHE A 14 4.831 -3.158 -4.042 1.00 0.00 C ATOM 178 CG PHE A 14 4.050 -2.430 -5.113 1.00 0.00 C ATOM 179 CD1 PHE A 14 2.789 -1.915 -4.846 1.00 0.00 C ATOM 180 CD2 PHE A 14 4.580 -2.260 -6.386 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.077 -1.246 -5.823 1.00 0.00 C ATOM 182 CE2 PHE A 14 3.870 -1.592 -7.364 1.00 0.00 C ATOM 183 CZ PHE A 14 2.616 -1.085 -7.082 1.00 0.00 C ATOM 0 H PHE A 14 5.962 -4.643 -2.421 1.00 0.00 H new ATOM 0 HA PHE A 14 3.407 -4.692 -3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.692 -2.643 -3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.893 -3.104 -4.281 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.359 -2.039 -3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.559 -2.655 -6.613 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.098 -0.849 -5.600 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.295 -1.466 -8.349 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.059 -0.564 -7.846 1.00 0.00 H new ATOM 193 N ARG A 15 5.722 -5.635 -5.668 1.00 0.00 N ATOM 194 CA ARG A 15 5.976 -6.362 -6.916 1.00 0.00 C ATOM 195 C ARG A 15 5.352 -7.771 -6.879 1.00 0.00 C ATOM 196 O ARG A 15 4.846 -8.271 -7.885 1.00 0.00 O ATOM 197 CB ARG A 15 7.495 -6.451 -7.124 1.00 0.00 C ATOM 198 CG ARG A 15 7.945 -7.106 -8.426 1.00 0.00 C ATOM 199 CD ARG A 15 9.470 -7.159 -8.502 1.00 0.00 C ATOM 200 NE ARG A 15 9.959 -7.742 -9.751 1.00 0.00 N ATOM 201 CZ ARG A 15 11.221 -7.997 -9.989 1.00 0.00 C ATOM 202 NH1 ARG A 15 12.121 -7.780 -9.082 1.00 0.00 N ATOM 203 NH2 ARG A 15 11.584 -8.480 -11.133 1.00 0.00 N ATOM 0 H ARG A 15 6.571 -5.364 -5.171 1.00 0.00 H new ATOM 0 HA ARG A 15 5.515 -5.827 -7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.909 -5.443 -7.083 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.926 -7.007 -6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.537 -8.115 -8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.552 -6.547 -9.275 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.869 -6.150 -8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.850 -7.741 -7.662 1.00 0.00 H new ATOM 0 HE ARG A 15 9.278 -7.962 -10.478 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.849 -7.407 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.101 -7.982 -9.278 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.886 -8.664 -11.854 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.568 -8.677 -11.314 1.00 0.00 H new ATOM 217 N LYS A 16 5.382 -8.392 -5.701 1.00 0.00 N ATOM 218 CA LYS A 16 4.857 -9.750 -5.512 1.00 0.00 C ATOM 219 C LYS A 16 3.314 -9.769 -5.531 1.00 0.00 C ATOM 220 O LYS A 16 2.703 -10.700 -6.060 1.00 0.00 O ATOM 221 CB LYS A 16 5.379 -10.321 -4.185 1.00 0.00 C ATOM 222 CG LYS A 16 5.225 -11.834 -4.045 1.00 0.00 C ATOM 223 CD LYS A 16 5.765 -12.338 -2.706 1.00 0.00 C ATOM 224 CE LYS A 16 7.197 -11.867 -2.453 1.00 0.00 C ATOM 225 NZ LYS A 16 8.147 -12.358 -3.488 1.00 0.00 N ATOM 0 H LYS A 16 5.767 -7.974 -4.854 1.00 0.00 H new ATOM 0 HA LYS A 16 5.203 -10.369 -6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.433 -10.064 -4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.852 -9.837 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.173 -12.102 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.753 -12.330 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.120 -11.988 -1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.733 -13.427 -2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.220 -10.777 -2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.522 -12.213 -1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.955 -12.822 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.664 -13.040 -4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.487 -11.556 -4.056 1.00 0.00 H new ATOM 239 N PHE A 17 2.694 -8.744 -4.944 1.00 0.00 N ATOM 240 CA PHE A 17 1.233 -8.609 -4.965 1.00 0.00 C ATOM 241 C PHE A 17 0.731 -8.165 -6.348 1.00 0.00 C ATOM 242 O PHE A 17 -0.303 -8.633 -6.818 1.00 0.00 O ATOM 243 CB PHE A 17 0.764 -7.615 -3.886 1.00 0.00 C ATOM 244 CG PHE A 17 0.528 -8.240 -2.530 1.00 0.00 C ATOM 245 CD1 PHE A 17 1.580 -8.479 -1.657 1.00 0.00 C ATOM 246 CD2 PHE A 17 -0.758 -8.579 -2.129 1.00 0.00 C ATOM 247 CE1 PHE A 17 1.355 -9.045 -0.415 1.00 0.00 C ATOM 248 CE2 PHE A 17 -0.987 -9.142 -0.889 1.00 0.00 C ATOM 249 CZ PHE A 17 0.069 -9.374 -0.030 1.00 0.00 C ATOM 0 H PHE A 17 3.178 -7.995 -4.448 1.00 0.00 H new ATOM 0 HA PHE A 17 0.809 -9.590 -4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.510 -6.826 -3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.159 -7.141 -4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.586 -8.220 -1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.589 -8.400 -2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.183 -9.230 0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.992 -9.401 -0.591 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.110 -9.812 0.941 1.00 0.00 H new ATOM 259 N ALA A 18 1.476 -7.273 -6.998 1.00 0.00 N ATOM 260 CA ALA A 18 1.100 -6.758 -8.319 1.00 0.00 C ATOM 261 C ALA A 18 0.897 -7.882 -9.347 1.00 0.00 C ATOM 262 O ALA A 18 -0.125 -7.931 -10.026 1.00 0.00 O ATOM 263 CB ALA A 18 2.150 -5.774 -8.816 1.00 0.00 C ATOM 0 H ALA A 18 2.347 -6.889 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 18 0.144 -6.246 -8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.861 -5.398 -9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.228 -4.941 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.114 -6.277 -8.890 1.00 0.00 H new ATOM 269 N ILE A 19 1.870 -8.793 -9.441 1.00 0.00 N ATOM 270 CA ILE A 19 1.802 -9.906 -10.405 1.00 0.00 C ATOM 271 C ILE A 19 0.881 -11.046 -9.925 1.00 0.00 C ATOM 272 O ILE A 19 0.796 -12.100 -10.563 1.00 0.00 O ATOM 273 CB ILE A 19 3.210 -10.493 -10.692 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.840 -11.047 -9.401 1.00 0.00 C ATOM 275 CG2 ILE A 19 4.115 -9.438 -11.330 1.00 0.00 C ATOM 276 CD1 ILE A 19 5.203 -11.677 -9.603 1.00 0.00 C ATOM 0 H ILE A 19 2.712 -8.786 -8.866 1.00 0.00 H new ATOM 0 HA ILE A 19 1.385 -9.482 -11.319 1.00 0.00 H new ATOM 0 HB ILE A 19 3.101 -11.317 -11.397 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.929 -10.238 -8.676 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.168 -11.789 -8.970 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.097 -9.870 -11.523 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.676 -9.101 -12.269 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.218 -8.590 -10.653 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.580 -12.043 -8.648 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.119 -12.508 -10.303 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.892 -10.933 -10.004 1.00 0.00 H new ATOM 288 N HIS A 20 0.189 -10.836 -8.806 1.00 0.00 N ATOM 289 CA HIS A 20 -0.672 -11.871 -8.227 1.00 0.00 C ATOM 290 C HIS A 20 -2.114 -11.780 -8.759 1.00 0.00 C ATOM 291 O HIS A 20 -2.625 -10.693 -9.019 1.00 0.00 O ATOM 292 CB HIS A 20 -0.671 -11.760 -6.699 1.00 0.00 C ATOM 293 CG HIS A 20 -1.450 -12.850 -6.030 1.00 0.00 C ATOM 294 ND1 HIS A 20 -1.033 -14.164 -5.999 1.00 0.00 N ATOM 295 CD2 HIS A 20 -2.641 -12.825 -5.383 1.00 0.00 C ATOM 296 CE1 HIS A 20 -1.929 -14.894 -5.370 1.00 0.00 C ATOM 297 NE2 HIS A 20 -2.911 -14.109 -4.987 1.00 0.00 N ATOM 0 H HIS A 20 0.206 -9.961 -8.282 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.269 -12.839 -8.524 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.358 -11.784 -6.340 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.087 -10.795 -6.411 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.260 -11.957 -5.212 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.868 -15.958 -5.198 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.742 -14.408 -4.476 1.00 0.00 H new ATOM 306 N GLY A 21 -2.769 -12.932 -8.906 1.00 0.00 N ATOM 307 CA GLY A 21 -4.141 -12.963 -9.407 1.00 0.00 C ATOM 308 C GLY A 21 -4.213 -12.816 -10.924 1.00 0.00 C ATOM 309 O GLY A 21 -4.702 -13.706 -11.624 1.00 0.00 O ATOM 0 H GLY A 21 -2.375 -13.847 -8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.610 -13.902 -9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.713 -12.161 -8.940 1.00 0.00 H new ATOM 313 N ASP A 22 -3.723 -11.688 -11.427 1.00 0.00 N ATOM 314 CA ASP A 22 -3.672 -11.425 -12.865 1.00 0.00 C ATOM 315 C ASP A 22 -2.285 -11.770 -13.444 1.00 0.00 C ATOM 316 O ASP A 22 -1.316 -11.040 -13.240 1.00 0.00 O ATOM 317 CB ASP A 22 -4.013 -9.955 -13.137 1.00 0.00 C ATOM 318 CG ASP A 22 -5.453 -9.631 -12.783 1.00 0.00 C ATOM 319 OD1 ASP A 22 -5.739 -9.375 -11.593 1.00 0.00 O ATOM 320 OD2 ASP A 22 -6.312 -9.650 -13.694 1.00 0.00 O ATOM 0 H ASP A 22 -3.351 -10.931 -10.854 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.408 -12.061 -13.358 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.345 -9.315 -12.560 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.839 -9.731 -14.189 1.00 0.00 H new ATOM 325 N PRO A 23 -2.170 -12.896 -14.184 1.00 0.00 N ATOM 326 CA PRO A 23 -0.883 -13.343 -14.760 1.00 0.00 C ATOM 327 C PRO A 23 -0.371 -12.433 -15.892 1.00 0.00 C ATOM 328 O PRO A 23 0.746 -12.602 -16.378 1.00 0.00 O ATOM 329 CB PRO A 23 -1.208 -14.746 -15.293 1.00 0.00 C ATOM 330 CG PRO A 23 -2.674 -14.718 -15.564 1.00 0.00 C ATOM 331 CD PRO A 23 -3.271 -13.826 -14.508 1.00 0.00 C ATOM 0 HA PRO A 23 -0.083 -13.321 -14.020 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.642 -14.967 -16.198 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.955 -15.515 -14.563 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.879 -14.333 -16.563 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.100 -15.720 -15.515 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.149 -13.296 -14.878 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.587 -14.395 -13.633 1.00 0.00 H new ATOM 339 N LYS A 24 -1.194 -11.472 -16.310 1.00 0.00 N ATOM 340 CA LYS A 24 -0.813 -10.515 -17.358 1.00 0.00 C ATOM 341 C LYS A 24 -0.320 -9.180 -16.764 1.00 0.00 C ATOM 342 O LYS A 24 -0.154 -8.193 -17.485 1.00 0.00 O ATOM 343 CB LYS A 24 -2.004 -10.258 -18.292 1.00 0.00 C ATOM 344 CG LYS A 24 -2.459 -11.488 -19.078 1.00 0.00 C ATOM 345 CD LYS A 24 -3.628 -11.161 -20.006 1.00 0.00 C ATOM 346 CE LYS A 24 -4.001 -12.338 -20.902 1.00 0.00 C ATOM 347 NZ LYS A 24 -4.479 -13.513 -20.128 1.00 0.00 N ATOM 0 H LYS A 24 -2.134 -11.332 -15.939 1.00 0.00 H new ATOM 0 HA LYS A 24 0.010 -10.954 -17.922 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.842 -9.888 -17.701 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.737 -9.469 -18.995 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.625 -11.875 -19.664 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.753 -12.275 -18.384 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.493 -10.873 -19.409 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.368 -10.303 -20.626 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.778 -12.027 -21.601 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.134 -12.627 -21.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.751 -14.273 -20.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.719 -13.850 -19.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.302 -13.239 -19.554 1.00 0.00 H new ATOM 361 N ALA A 25 -0.078 -9.161 -15.454 1.00 0.00 N ATOM 362 CA ALA A 25 0.363 -7.945 -14.760 1.00 0.00 C ATOM 363 C ALA A 25 1.854 -7.645 -14.995 1.00 0.00 C ATOM 364 O ALA A 25 2.630 -8.521 -15.383 1.00 0.00 O ATOM 365 CB ALA A 25 0.080 -8.074 -13.268 1.00 0.00 C ATOM 0 H ALA A 25 -0.179 -9.975 -14.848 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.200 -7.108 -15.172 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.409 -7.170 -12.756 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.990 -8.211 -13.111 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.619 -8.933 -12.868 1.00 0.00 H new ATOM 371 N SER A 26 2.248 -6.396 -14.747 1.00 0.00 N ATOM 372 CA SER A 26 3.639 -5.958 -14.951 1.00 0.00 C ATOM 373 C SER A 26 4.505 -6.198 -13.707 1.00 0.00 C ATOM 374 O SER A 26 5.633 -6.684 -13.803 1.00 0.00 O ATOM 375 CB SER A 26 3.678 -4.464 -15.298 1.00 0.00 C ATOM 376 OG SER A 26 3.194 -3.669 -14.220 1.00 0.00 O ATOM 0 H SER A 26 1.626 -5.664 -14.404 1.00 0.00 H new ATOM 0 HA SER A 26 4.043 -6.549 -15.773 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.700 -4.171 -15.538 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.076 -4.279 -16.188 1.00 0.00 H new ATOM 0 HG SER A 26 3.232 -2.722 -14.469 1.00 0.00 H new ATOM 382 N GLY A 27 3.971 -5.843 -12.540 1.00 0.00 N ATOM 383 CA GLY A 27 4.736 -5.921 -11.298 1.00 0.00 C ATOM 384 C GLY A 27 5.126 -4.546 -10.766 1.00 0.00 C ATOM 385 O GLY A 27 5.436 -4.389 -9.587 1.00 0.00 O ATOM 0 H GLY A 27 3.017 -5.500 -12.429 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.148 -6.445 -10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.637 -6.511 -11.466 1.00 0.00 H new ATOM 389 N GLN A 28 5.104 -3.549 -11.648 1.00 0.00 N ATOM 390 CA GLN A 28 5.412 -2.164 -11.273 1.00 0.00 C ATOM 391 C GLN A 28 4.122 -1.372 -10.996 1.00 0.00 C ATOM 392 O GLN A 28 4.143 -0.344 -10.317 1.00 0.00 O ATOM 393 CB GLN A 28 6.222 -1.489 -12.393 1.00 0.00 C ATOM 394 CG GLN A 28 6.597 -0.032 -12.122 1.00 0.00 C ATOM 395 CD GLN A 28 7.465 0.154 -10.885 1.00 0.00 C ATOM 396 OE1 GLN A 28 8.230 -0.723 -10.501 1.00 0.00 O ATOM 397 NE2 GLN A 28 7.370 1.312 -10.261 1.00 0.00 N ATOM 0 H GLN A 28 4.875 -3.672 -12.634 1.00 0.00 H new ATOM 0 HA GLN A 28 6.005 -2.175 -10.359 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.136 -2.060 -12.557 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.647 -1.536 -13.318 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.124 0.366 -12.989 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.685 0.554 -12.007 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.725 2.024 -10.603 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.942 1.496 -9.437 1.00 0.00 H new ATOM 406 N GLU A 29 3.005 -1.859 -11.538 1.00 0.00 N ATOM 407 CA GLU A 29 1.692 -1.226 -11.344 1.00 0.00 C ATOM 408 C GLU A 29 0.679 -2.243 -10.785 1.00 0.00 C ATOM 409 O GLU A 29 0.530 -3.340 -11.328 1.00 0.00 O ATOM 410 CB GLU A 29 1.179 -0.663 -12.681 1.00 0.00 C ATOM 411 CG GLU A 29 2.139 0.314 -13.357 1.00 0.00 C ATOM 412 CD GLU A 29 1.633 0.812 -14.705 1.00 0.00 C ATOM 413 OE1 GLU A 29 1.430 -0.022 -15.615 1.00 0.00 O ATOM 414 OE2 GLU A 29 1.438 2.035 -14.869 1.00 0.00 O ATOM 0 H GLU A 29 2.980 -2.696 -12.120 1.00 0.00 H new ATOM 0 HA GLU A 29 1.802 -0.412 -10.628 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.984 -1.492 -13.361 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.227 -0.160 -12.510 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.302 1.167 -12.699 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.105 -0.172 -13.495 1.00 0.00 H new ATOM 421 N MET A 30 -0.021 -1.885 -9.706 1.00 0.00 N ATOM 422 CA MET A 30 -0.978 -2.805 -9.067 1.00 0.00 C ATOM 423 C MET A 30 -2.383 -2.186 -8.938 1.00 0.00 C ATOM 424 O MET A 30 -2.532 -0.976 -8.774 1.00 0.00 O ATOM 425 CB MET A 30 -0.460 -3.227 -7.687 1.00 0.00 C ATOM 426 CG MET A 30 -1.345 -4.247 -6.982 1.00 0.00 C ATOM 427 SD MET A 30 -0.600 -4.905 -5.474 1.00 0.00 S ATOM 428 CE MET A 30 -0.448 -3.422 -4.483 1.00 0.00 C ATOM 0 H MET A 30 0.052 -0.973 -9.256 1.00 0.00 H new ATOM 0 HA MET A 30 -1.066 -3.681 -9.709 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.541 -3.644 -7.797 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.369 -2.342 -7.057 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.300 -3.783 -6.736 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.557 -5.070 -7.665 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.477 -3.462 -3.909 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.433 -2.549 -5.135 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.295 -3.352 -3.801 1.00 0.00 H new ATOM 438 N ASN A 31 -3.410 -3.038 -8.998 1.00 0.00 N ATOM 439 CA ASN A 31 -4.812 -2.596 -8.941 1.00 0.00 C ATOM 440 C ASN A 31 -5.378 -2.614 -7.506 1.00 0.00 C ATOM 441 O ASN A 31 -4.740 -3.113 -6.577 1.00 0.00 O ATOM 442 CB ASN A 31 -5.669 -3.497 -9.842 1.00 0.00 C ATOM 443 CG ASN A 31 -5.414 -4.978 -9.598 1.00 0.00 C ATOM 444 OD1 ASN A 31 -5.016 -5.387 -8.510 1.00 0.00 O ATOM 445 ND2 ASN A 31 -5.658 -5.795 -10.600 1.00 0.00 N ATOM 0 H ASN A 31 -3.298 -4.048 -9.087 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.844 -1.564 -9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.723 -3.280 -9.670 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.462 -3.263 -10.886 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.517 -6.799 -10.485 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.988 -5.425 -11.491 1.00 0.00 H new ATOM 452 N GLY A 32 -6.592 -2.072 -7.342 1.00 0.00 N ATOM 453 CA GLY A 32 -7.270 -2.090 -6.043 1.00 0.00 C ATOM 454 C GLY A 32 -7.530 -3.508 -5.527 1.00 0.00 C ATOM 455 O GLY A 32 -7.626 -3.737 -4.325 1.00 0.00 O ATOM 0 H GLY A 32 -7.120 -1.619 -8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.665 -1.549 -5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.218 -1.559 -6.126 1.00 0.00 H new ATOM 459 N LYS A 33 -7.651 -4.444 -6.461 1.00 0.00 N ATOM 460 CA LYS A 33 -7.805 -5.876 -6.172 1.00 0.00 C ATOM 461 C LYS A 33 -6.725 -6.392 -5.188 1.00 0.00 C ATOM 462 O LYS A 33 -7.029 -6.801 -4.055 1.00 0.00 O ATOM 463 CB LYS A 33 -7.726 -6.615 -7.517 1.00 0.00 C ATOM 464 CG LYS A 33 -7.858 -8.132 -7.470 1.00 0.00 C ATOM 465 CD LYS A 33 -7.713 -8.707 -8.880 1.00 0.00 C ATOM 466 CE LYS A 33 -7.851 -10.222 -8.927 1.00 0.00 C ATOM 467 NZ LYS A 33 -7.718 -10.738 -10.316 1.00 0.00 N ATOM 0 H LYS A 33 -7.645 -4.232 -7.459 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.762 -6.056 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.509 -6.225 -8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.772 -6.370 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.095 -8.553 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.825 -8.410 -7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.467 -8.260 -9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.740 -8.425 -9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.090 -10.678 -8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.820 -10.513 -8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.412 -11.732 -10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.636 -10.671 -10.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.013 -10.172 -10.830 1.00 0.00 H new ATOM 481 N ASN A 34 -5.460 -6.358 -5.611 1.00 0.00 N ATOM 482 CA ASN A 34 -4.356 -6.822 -4.758 1.00 0.00 C ATOM 483 C ASN A 34 -3.996 -5.779 -3.683 1.00 0.00 C ATOM 484 O ASN A 34 -3.473 -6.125 -2.624 1.00 0.00 O ATOM 485 CB ASN A 34 -3.136 -7.180 -5.611 1.00 0.00 C ATOM 486 CG ASN A 34 -3.465 -8.253 -6.635 1.00 0.00 C ATOM 487 OD1 ASN A 34 -4.361 -9.075 -6.430 1.00 0.00 O ATOM 488 ND2 ASN A 34 -2.730 -8.276 -7.724 1.00 0.00 N ATOM 0 H ASN A 34 -5.173 -6.018 -6.529 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.687 -7.721 -4.238 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.774 -6.288 -6.122 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.329 -7.527 -4.966 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.892 -8.990 -8.434 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.997 -7.579 -7.860 1.00 0.00 H new ATOM 495 N TRP A 35 -4.296 -4.510 -3.960 1.00 0.00 N ATOM 496 CA TRP A 35 -4.185 -3.440 -2.955 1.00 0.00 C ATOM 497 C TRP A 35 -5.097 -3.737 -1.749 1.00 0.00 C ATOM 498 O TRP A 35 -4.729 -3.499 -0.595 1.00 0.00 O ATOM 499 CB TRP A 35 -4.547 -2.094 -3.605 1.00 0.00 C ATOM 500 CG TRP A 35 -4.753 -0.949 -2.650 1.00 0.00 C ATOM 501 CD1 TRP A 35 -5.943 -0.355 -2.330 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.744 -0.255 -1.905 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.734 0.668 -1.438 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.396 0.746 -1.156 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.356 -0.383 -1.794 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.708 1.612 -0.315 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.674 0.481 -0.956 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.351 1.466 -0.225 1.00 0.00 C ATOM 0 H TRP A 35 -4.619 -4.192 -4.874 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.160 -3.390 -2.588 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.756 -1.823 -4.304 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.458 -2.226 -4.189 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.906 -0.648 -2.722 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.458 1.272 -1.049 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.827 -1.142 -2.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.227 2.374 0.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.601 0.395 -0.864 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.790 2.123 0.423 1.00 0.00 H new ATOM 519 N ALA A 36 -6.285 -4.274 -2.030 1.00 0.00 N ATOM 520 CA ALA A 36 -7.207 -4.716 -0.980 1.00 0.00 C ATOM 521 C ALA A 36 -6.621 -5.902 -0.207 1.00 0.00 C ATOM 522 O ALA A 36 -6.697 -5.954 1.024 1.00 0.00 O ATOM 523 CB ALA A 36 -8.561 -5.086 -1.577 1.00 0.00 C ATOM 0 H ALA A 36 -6.633 -4.414 -2.978 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.350 -3.890 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.232 -5.412 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.987 -4.217 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.433 -5.894 -2.297 1.00 0.00 H new ATOM 529 N LYS A 37 -6.039 -6.862 -0.937 1.00 0.00 N ATOM 530 CA LYS A 37 -5.331 -7.978 -0.314 1.00 0.00 C ATOM 531 C LYS A 37 -4.259 -7.489 0.674 1.00 0.00 C ATOM 532 O LYS A 37 -4.187 -7.970 1.805 1.00 0.00 O ATOM 533 CB LYS A 37 -4.674 -8.856 -1.385 1.00 0.00 C ATOM 534 CG LYS A 37 -5.647 -9.596 -2.298 1.00 0.00 C ATOM 535 CD LYS A 37 -4.904 -10.549 -3.235 1.00 0.00 C ATOM 536 CE LYS A 37 -5.847 -11.300 -4.166 1.00 0.00 C ATOM 537 NZ LYS A 37 -6.524 -10.388 -5.127 1.00 0.00 N ATOM 0 H LYS A 37 -6.047 -6.885 -1.957 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.066 -8.562 0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.027 -8.230 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.034 -9.588 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.362 -10.157 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.219 -8.877 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.185 -9.984 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.335 -11.266 -2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.287 -12.056 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.597 -11.826 -3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.091 -10.947 -5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.146 -9.736 -4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.810 -9.843 -5.650 1.00 0.00 H new ATOM 551 N LEU A 38 -3.428 -6.539 0.238 1.00 0.00 N ATOM 552 CA LEU A 38 -2.400 -5.940 1.103 1.00 0.00 C ATOM 553 C LEU A 38 -2.998 -5.421 2.416 1.00 0.00 C ATOM 554 O LEU A 38 -2.499 -5.719 3.503 1.00 0.00 O ATOM 555 CB LEU A 38 -1.678 -4.792 0.372 1.00 0.00 C ATOM 556 CG LEU A 38 -0.343 -5.165 -0.288 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.257 -3.960 -1.005 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.624 -5.704 0.760 1.00 0.00 C ATOM 0 H LEU A 38 -3.445 -6.165 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.681 -6.724 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.344 -4.397 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.499 -3.987 1.084 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.524 -5.943 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.203 -4.245 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.433 -3.614 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.430 -3.159 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.568 -5.966 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.800 -4.942 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.196 -6.590 1.228 1.00 0.00 H new ATOM 570 N CYS A 39 -4.071 -4.649 2.308 1.00 0.00 N ATOM 571 CA CYS A 39 -4.734 -4.090 3.486 1.00 0.00 C ATOM 572 C CYS A 39 -5.148 -5.188 4.479 1.00 0.00 C ATOM 573 O CYS A 39 -4.960 -5.045 5.688 1.00 0.00 O ATOM 574 CB CYS A 39 -5.955 -3.262 3.076 1.00 0.00 C ATOM 575 SG CYS A 39 -5.552 -1.814 2.068 1.00 0.00 S ATOM 0 H CYS A 39 -4.503 -4.394 1.420 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.016 -3.440 3.986 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.644 -3.899 2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.478 -2.933 3.974 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.169 -2.200 0.887 1.00 0.00 H new ATOM 581 N LYS A 40 -5.689 -6.295 3.965 1.00 0.00 N ATOM 582 CA LYS A 40 -6.143 -7.397 4.823 1.00 0.00 C ATOM 583 C LYS A 40 -4.962 -8.221 5.375 1.00 0.00 C ATOM 584 O LYS A 40 -4.961 -8.633 6.541 1.00 0.00 O ATOM 585 CB LYS A 40 -7.103 -8.315 4.053 1.00 0.00 C ATOM 586 CG LYS A 40 -7.668 -9.455 4.900 1.00 0.00 C ATOM 587 CD LYS A 40 -8.613 -10.351 4.103 1.00 0.00 C ATOM 588 CE LYS A 40 -9.182 -11.471 4.965 1.00 0.00 C ATOM 589 NZ LYS A 40 -10.123 -12.334 4.207 1.00 0.00 N ATOM 0 H LYS A 40 -5.824 -6.454 2.966 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.666 -6.953 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.928 -7.719 3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.580 -8.736 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.847 -10.054 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.199 -9.040 5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.429 -9.752 3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.080 -10.779 3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.366 -12.079 5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.697 -11.041 5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.487 -13.083 4.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.916 -11.759 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.626 -12.765 3.401 1.00 0.00 H new ATOM 603 N ASP A 41 -3.953 -8.458 4.539 1.00 0.00 N ATOM 604 CA ASP A 41 -2.806 -9.273 4.932 1.00 0.00 C ATOM 605 C ASP A 41 -1.926 -8.540 5.957 1.00 0.00 C ATOM 606 O ASP A 41 -1.487 -9.133 6.944 1.00 0.00 O ATOM 607 CB ASP A 41 -1.994 -9.678 3.698 1.00 0.00 C ATOM 608 CG ASP A 41 -0.977 -10.756 4.015 1.00 0.00 C ATOM 609 OD1 ASP A 41 -1.320 -11.703 4.757 1.00 0.00 O ATOM 610 OD2 ASP A 41 0.169 -10.665 3.540 1.00 0.00 O ATOM 0 H ASP A 41 -3.907 -8.097 3.586 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.179 -10.178 5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.670 -10.035 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.482 -8.803 3.298 1.00 0.00 H new ATOM 615 N CYS A 42 -1.698 -7.251 5.729 1.00 0.00 N ATOM 616 CA CYS A 42 -0.944 -6.413 6.674 1.00 0.00 C ATOM 617 C CYS A 42 -1.847 -5.889 7.806 1.00 0.00 C ATOM 618 O CYS A 42 -1.358 -5.360 8.806 1.00 0.00 O ATOM 619 CB CYS A 42 -0.298 -5.234 5.938 1.00 0.00 C ATOM 620 SG CYS A 42 0.792 -5.716 4.579 1.00 0.00 S ATOM 0 H CYS A 42 -2.023 -6.757 4.898 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.166 -7.033 7.119 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.085 -4.589 5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.272 -4.642 6.654 1.00 0.00 H new ATOM 0 HG CYS A 42 0.082 -5.953 3.516 1.00 0.00 H new ATOM 626 N LYS A 43 -3.165 -6.039 7.632 1.00 0.00 N ATOM 627 CA LYS A 43 -4.165 -5.611 8.629 1.00 0.00 C ATOM 628 C LYS A 43 -4.166 -4.087 8.824 1.00 0.00 C ATOM 629 O LYS A 43 -4.354 -3.588 9.936 1.00 0.00 O ATOM 630 CB LYS A 43 -3.971 -6.328 9.980 1.00 0.00 C ATOM 631 CG LYS A 43 -4.190 -7.843 9.918 1.00 0.00 C ATOM 632 CD LYS A 43 -2.881 -8.611 9.764 1.00 0.00 C ATOM 633 CE LYS A 43 -3.120 -10.102 9.570 1.00 0.00 C ATOM 634 NZ LYS A 43 -3.624 -10.409 8.203 1.00 0.00 N ATOM 0 H LYS A 43 -3.573 -6.460 6.797 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.139 -5.898 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.962 -6.132 10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.660 -5.901 10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.697 -8.172 10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.848 -8.079 9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.327 -8.218 8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.261 -8.454 10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.191 -10.645 9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.839 -10.454 10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.042 -11.361 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.346 -9.711 7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.836 -10.370 7.526 1.00 0.00 H new ATOM 648 N VAL A 44 -3.980 -3.354 7.729 1.00 0.00 N ATOM 649 CA VAL A 44 -4.088 -1.894 7.756 1.00 0.00 C ATOM 650 C VAL A 44 -5.563 -1.476 7.828 1.00 0.00 C ATOM 651 O VAL A 44 -5.915 -0.490 8.477 1.00 0.00 O ATOM 652 CB VAL A 44 -3.426 -1.254 6.510 1.00 0.00 C ATOM 653 CG1 VAL A 44 -3.494 0.273 6.576 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.981 -1.731 6.360 1.00 0.00 C ATOM 0 H VAL A 44 -3.754 -3.744 6.814 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.563 -1.538 8.642 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.982 -1.575 5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.022 0.697 5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.536 0.589 6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.972 0.622 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.535 -1.269 5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.411 -1.449 7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.965 -2.815 6.249 1.00 0.00 H new ATOM 664 N ALA A 45 -6.428 -2.250 7.168 1.00 0.00 N ATOM 665 CA ALA A 45 -7.870 -1.998 7.203 1.00 0.00 C ATOM 666 C ALA A 45 -8.473 -2.423 8.554 1.00 0.00 C ATOM 667 O ALA A 45 -9.008 -3.526 8.703 1.00 0.00 O ATOM 668 CB ALA A 45 -8.568 -2.708 6.050 1.00 0.00 C ATOM 0 H ALA A 45 -6.155 -3.055 6.604 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.028 -0.926 7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.639 -2.508 6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.169 -2.343 5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.396 -3.782 6.126 1.00 0.00 H new ATOM 674 N ASP A 46 -8.346 -1.540 9.537 1.00 0.00 N ATOM 675 CA ASP A 46 -8.830 -1.785 10.899 1.00 0.00 C ATOM 676 C ASP A 46 -10.369 -1.902 10.967 1.00 0.00 C ATOM 677 O ASP A 46 -10.910 -2.745 11.688 1.00 0.00 O ATOM 678 CB ASP A 46 -8.331 -0.650 11.800 1.00 0.00 C ATOM 679 CG ASP A 46 -8.951 -0.674 13.181 1.00 0.00 C ATOM 680 OD1 ASP A 46 -8.529 -1.496 14.018 1.00 0.00 O ATOM 681 OD2 ASP A 46 -9.864 0.133 13.431 1.00 0.00 O ATOM 0 H ASP A 46 -7.903 -0.629 9.416 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.438 -2.743 11.241 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.247 -0.718 11.893 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.551 0.306 11.326 1.00 0.00 H new ATOM 686 N GLY A 47 -11.064 -1.055 10.216 1.00 0.00 N ATOM 687 CA GLY A 47 -12.524 -1.026 10.254 1.00 0.00 C ATOM 688 C GLY A 47 -13.072 0.174 11.021 1.00 0.00 C ATOM 689 O GLY A 47 -14.082 0.761 10.631 1.00 0.00 O ATOM 0 H GLY A 47 -10.644 -0.381 9.576 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.909 -1.006 9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.889 -1.944 10.715 1.00 0.00 H new ATOM 693 N LYS A 48 -12.408 0.535 12.120 1.00 0.00 N ATOM 694 CA LYS A 48 -12.809 1.692 12.935 1.00 0.00 C ATOM 695 C LYS A 48 -11.997 2.943 12.560 1.00 0.00 C ATOM 696 O LYS A 48 -12.549 4.030 12.372 1.00 0.00 O ATOM 697 CB LYS A 48 -12.609 1.370 14.422 1.00 0.00 C ATOM 698 CG LYS A 48 -13.354 0.120 14.879 1.00 0.00 C ATOM 699 CD LYS A 48 -12.913 -0.331 16.268 1.00 0.00 C ATOM 700 CE LYS A 48 -13.638 -1.596 16.705 1.00 0.00 C ATOM 701 NZ LYS A 48 -13.131 -2.106 18.006 1.00 0.00 N ATOM 0 H LYS A 48 -11.586 0.043 12.471 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.862 1.899 12.742 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.545 1.241 14.618 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.942 2.220 15.018 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.426 0.318 14.885 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.183 -0.686 14.165 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.838 -0.509 16.269 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.105 0.465 16.987 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.706 -1.392 16.786 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.517 -2.365 15.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.651 -2.968 18.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.118 -2.325 17.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.269 -1.382 18.740 1.00 0.00 H new ATOM 715 N SER A 49 -10.675 2.784 12.474 1.00 0.00 N ATOM 716 CA SER A 49 -9.779 3.888 12.088 1.00 0.00 C ATOM 717 C SER A 49 -9.570 3.932 10.565 1.00 0.00 C ATOM 718 O SER A 49 -9.601 4.998 9.956 1.00 0.00 O ATOM 719 CB SER A 49 -8.419 3.756 12.796 1.00 0.00 C ATOM 720 OG SER A 49 -7.580 4.875 12.526 1.00 0.00 O ATOM 0 H SER A 49 -10.196 1.904 12.665 1.00 0.00 H new ATOM 0 HA SER A 49 -10.254 4.819 12.398 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.574 3.667 13.871 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.924 2.841 12.469 1.00 0.00 H new ATOM 0 HG SER A 49 -6.641 4.597 12.568 1.00 0.00 H new ATOM 726 N VAL A 50 -9.339 2.765 9.961 1.00 0.00 N ATOM 727 CA VAL A 50 -9.178 2.653 8.501 1.00 0.00 C ATOM 728 C VAL A 50 -10.224 1.694 7.917 1.00 0.00 C ATOM 729 O VAL A 50 -10.150 0.483 8.122 1.00 0.00 O ATOM 730 CB VAL A 50 -7.762 2.143 8.120 1.00 0.00 C ATOM 731 CG1 VAL A 50 -7.590 2.081 6.601 1.00 0.00 C ATOM 732 CG2 VAL A 50 -6.675 3.011 8.751 1.00 0.00 C ATOM 0 H VAL A 50 -9.258 1.878 10.458 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.316 3.651 8.086 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.658 1.132 8.515 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.589 1.721 6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.331 1.402 6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.727 3.076 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.694 2.630 8.467 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.781 4.038 8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.773 2.986 9.836 1.00 0.00 H new ATOM 742 N THR A 51 -11.195 2.237 7.195 1.00 0.00 N ATOM 743 CA THR A 51 -12.311 1.438 6.661 1.00 0.00 C ATOM 744 C THR A 51 -12.046 0.961 5.226 1.00 0.00 C ATOM 745 O THR A 51 -11.169 1.485 4.541 1.00 0.00 O ATOM 746 CB THR A 51 -13.628 2.249 6.663 1.00 0.00 C ATOM 747 OG1 THR A 51 -13.516 3.366 5.768 1.00 0.00 O ATOM 748 CG2 THR A 51 -13.964 2.748 8.066 1.00 0.00 C ATOM 0 H THR A 51 -11.240 3.229 6.960 1.00 0.00 H new ATOM 0 HA THR A 51 -12.401 0.571 7.315 1.00 0.00 H new ATOM 0 HB THR A 51 -14.431 1.592 6.330 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.192 4.037 5.997 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.895 3.315 8.037 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.078 1.897 8.737 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.160 3.389 8.426 1.00 0.00 H new ATOM 756 N GLY A 52 -12.813 -0.037 4.774 1.00 0.00 N ATOM 757 CA GLY A 52 -12.700 -0.515 3.396 1.00 0.00 C ATOM 758 C GLY A 52 -12.902 0.596 2.367 1.00 0.00 C ATOM 759 O GLY A 52 -12.147 0.712 1.389 1.00 0.00 O ATOM 0 H GLY A 52 -13.511 -0.524 5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.717 -0.964 3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.437 -1.300 3.227 1.00 0.00 H new ATOM 763 N THR A 53 -13.918 1.426 2.589 1.00 0.00 N ATOM 764 CA THR A 53 -14.150 2.581 1.722 1.00 0.00 C ATOM 765 C THR A 53 -12.958 3.544 1.772 1.00 0.00 C ATOM 766 O THR A 53 -12.531 4.055 0.740 1.00 0.00 O ATOM 767 CB THR A 53 -15.451 3.348 2.074 1.00 0.00 C ATOM 768 OG1 THR A 53 -15.601 4.475 1.198 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.460 3.823 3.524 1.00 0.00 C ATOM 0 H THR A 53 -14.587 1.324 3.352 1.00 0.00 H new ATOM 0 HA THR A 53 -14.265 2.186 0.712 1.00 0.00 H new ATOM 0 HB THR A 53 -16.285 2.659 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.425 4.956 1.422 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.389 4.355 3.727 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.382 2.963 4.189 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.615 4.491 3.693 1.00 0.00 H new ATOM 777 N ASP A 54 -12.400 3.763 2.969 1.00 0.00 N ATOM 778 CA ASP A 54 -11.207 4.607 3.124 1.00 0.00 C ATOM 779 C ASP A 54 -10.030 4.036 2.310 1.00 0.00 C ATOM 780 O ASP A 54 -9.251 4.780 1.714 1.00 0.00 O ATOM 781 CB ASP A 54 -10.825 4.725 4.604 1.00 0.00 C ATOM 782 CG ASP A 54 -9.720 5.742 4.837 1.00 0.00 C ATOM 783 OD1 ASP A 54 -10.031 6.949 4.952 1.00 0.00 O ATOM 784 OD2 ASP A 54 -8.537 5.348 4.893 1.00 0.00 O ATOM 0 H ASP A 54 -12.753 3.370 3.841 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.438 5.602 2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.704 5.009 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.502 3.751 4.972 1.00 0.00 H new ATOM 789 N VAL A 55 -9.922 2.706 2.282 1.00 0.00 N ATOM 790 CA VAL A 55 -8.930 2.020 1.444 1.00 0.00 C ATOM 791 C VAL A 55 -9.130 2.360 -0.045 1.00 0.00 C ATOM 792 O VAL A 55 -8.163 2.485 -0.803 1.00 0.00 O ATOM 793 CB VAL A 55 -9.000 0.481 1.644 1.00 0.00 C ATOM 794 CG1 VAL A 55 -8.074 -0.254 0.675 1.00 0.00 C ATOM 795 CG2 VAL A 55 -8.668 0.110 3.090 1.00 0.00 C ATOM 0 H VAL A 55 -10.510 2.079 2.831 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.945 2.371 1.754 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.021 0.167 1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.149 -1.328 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.366 -0.027 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.046 0.068 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.722 -0.972 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.661 0.452 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.383 0.586 3.761 1.00 0.00 H new ATOM 805 N ASP A 56 -10.391 2.528 -0.454 1.00 0.00 N ATOM 806 CA ASP A 56 -10.709 2.883 -1.845 1.00 0.00 C ATOM 807 C ASP A 56 -10.412 4.373 -2.082 1.00 0.00 C ATOM 808 O ASP A 56 -9.974 4.786 -3.160 1.00 0.00 O ATOM 809 CB ASP A 56 -12.181 2.564 -2.145 1.00 0.00 C ATOM 810 CG ASP A 56 -12.513 2.639 -3.629 1.00 0.00 C ATOM 811 OD1 ASP A 56 -12.358 1.616 -4.328 1.00 0.00 O ATOM 812 OD2 ASP A 56 -12.941 3.711 -4.101 1.00 0.00 O ATOM 0 H ASP A 56 -11.205 2.425 0.152 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.088 2.295 -2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.414 1.565 -1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.817 3.261 -1.600 1.00 0.00 H new ATOM 817 N ILE A 57 -10.642 5.165 -1.039 1.00 0.00 N ATOM 818 CA ILE A 57 -10.330 6.596 -1.044 1.00 0.00 C ATOM 819 C ILE A 57 -8.831 6.831 -1.264 1.00 0.00 C ATOM 820 O ILE A 57 -8.439 7.547 -2.178 1.00 0.00 O ATOM 821 CB ILE A 57 -10.756 7.242 0.294 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.257 7.006 0.534 1.00 0.00 C ATOM 823 CG2 ILE A 57 -10.419 8.736 0.317 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.169 7.932 -0.246 1.00 0.00 C ATOM 0 H ILE A 57 -11.050 4.835 -0.164 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.883 7.055 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.197 6.772 1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.497 5.975 0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.465 7.122 1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.730 9.164 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.344 8.869 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.943 9.240 -0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.208 7.696 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.962 8.966 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.994 7.801 -1.314 1.00 0.00 H new ATOM 836 N VAL A 58 -7.999 6.209 -0.424 1.00 0.00 N ATOM 837 CA VAL A 58 -6.538 6.324 -0.544 1.00 0.00 C ATOM 838 C VAL A 58 -6.046 5.856 -1.923 1.00 0.00 C ATOM 839 O VAL A 58 -5.169 6.480 -2.524 1.00 0.00 O ATOM 840 CB VAL A 58 -5.809 5.526 0.572 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.298 5.508 0.341 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.127 6.115 1.944 1.00 0.00 C ATOM 0 H VAL A 58 -8.310 5.619 0.348 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.297 7.381 -0.429 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.169 4.498 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.815 4.942 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.082 5.039 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.918 6.530 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.608 5.544 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.798 7.154 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.202 6.068 2.120 1.00 0.00 H new ATOM 852 N PHE A 59 -6.631 4.770 -2.433 1.00 0.00 N ATOM 853 CA PHE A 59 -6.265 4.255 -3.758 1.00 0.00 C ATOM 854 C PHE A 59 -6.568 5.299 -4.844 1.00 0.00 C ATOM 855 O PHE A 59 -5.753 5.548 -5.728 1.00 0.00 O ATOM 856 CB PHE A 59 -7.014 2.945 -4.054 1.00 0.00 C ATOM 857 CG PHE A 59 -6.641 2.316 -5.375 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.486 1.556 -5.495 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.447 2.481 -6.493 1.00 0.00 C ATOM 860 CE1 PHE A 59 -5.143 0.977 -6.702 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.107 1.905 -7.701 1.00 0.00 C ATOM 862 CZ PHE A 59 -5.955 1.151 -7.807 1.00 0.00 C ATOM 0 H PHE A 59 -7.354 4.233 -1.955 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.194 4.050 -3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.813 2.233 -3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.086 3.140 -4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.848 1.415 -4.635 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.351 3.067 -6.417 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.241 0.389 -6.782 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.742 2.044 -8.563 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.689 0.698 -8.751 1.00 0.00 H new ATOM 872 N SER A 60 -7.739 5.923 -4.750 1.00 0.00 N ATOM 873 CA SER A 60 -8.153 6.966 -5.704 1.00 0.00 C ATOM 874 C SER A 60 -7.512 8.325 -5.366 1.00 0.00 C ATOM 875 O SER A 60 -7.504 9.247 -6.185 1.00 0.00 O ATOM 876 CB SER A 60 -9.685 7.088 -5.716 1.00 0.00 C ATOM 877 OG SER A 60 -10.198 7.414 -4.432 1.00 0.00 O ATOM 0 H SER A 60 -8.426 5.728 -4.022 1.00 0.00 H new ATOM 0 HA SER A 60 -7.807 6.673 -6.695 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.983 7.854 -6.432 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.122 6.148 -6.054 1.00 0.00 H new ATOM 0 HG SER A 60 -9.463 7.446 -3.785 1.00 0.00 H new ATOM 883 N LYS A 61 -6.976 8.429 -4.156 1.00 0.00 N ATOM 884 CA LYS A 61 -6.287 9.638 -3.683 1.00 0.00 C ATOM 885 C LYS A 61 -4.891 9.783 -4.317 1.00 0.00 C ATOM 886 O LYS A 61 -4.541 10.844 -4.840 1.00 0.00 O ATOM 887 CB LYS A 61 -6.185 9.576 -2.149 1.00 0.00 C ATOM 888 CG LYS A 61 -5.232 10.581 -1.506 1.00 0.00 C ATOM 889 CD LYS A 61 -5.666 12.029 -1.708 1.00 0.00 C ATOM 890 CE LYS A 61 -4.832 12.978 -0.850 1.00 0.00 C ATOM 891 NZ LYS A 61 -3.373 12.724 -0.991 1.00 0.00 N ATOM 0 H LYS A 61 -7.004 7.677 -3.467 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.861 10.514 -3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.180 9.728 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.870 8.572 -1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.162 10.374 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.234 10.445 -1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.564 12.299 -2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.720 12.135 -1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.049 14.008 -1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.119 12.868 0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.842 13.545 -0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.113 11.880 -0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.143 12.569 -1.993 1.00 0.00 H new ATOM 905 N VAL A 62 -4.099 8.716 -4.265 1.00 0.00 N ATOM 906 CA VAL A 62 -2.737 8.734 -4.817 1.00 0.00 C ATOM 907 C VAL A 62 -2.710 8.425 -6.325 1.00 0.00 C ATOM 908 O VAL A 62 -1.779 8.820 -7.028 1.00 0.00 O ATOM 909 CB VAL A 62 -1.819 7.735 -4.072 1.00 0.00 C ATOM 910 CG1 VAL A 62 -1.706 8.111 -2.596 1.00 0.00 C ATOM 911 CG2 VAL A 62 -2.326 6.299 -4.234 1.00 0.00 C ATOM 0 H VAL A 62 -4.371 7.826 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.364 9.748 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.825 7.789 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.057 7.398 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.285 9.113 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.695 8.091 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.663 5.617 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.333 6.220 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.343 6.036 -5.292 1.00 0.00 H new ATOM 921 N LYS A 63 -3.734 7.717 -6.806 1.00 0.00 N ATOM 922 CA LYS A 63 -3.850 7.352 -8.228 1.00 0.00 C ATOM 923 C LYS A 63 -3.845 8.589 -9.146 1.00 0.00 C ATOM 924 O LYS A 63 -4.579 9.551 -8.913 1.00 0.00 O ATOM 925 CB LYS A 63 -5.147 6.555 -8.442 1.00 0.00 C ATOM 926 CG LYS A 63 -5.389 6.107 -9.881 1.00 0.00 C ATOM 927 CD LYS A 63 -6.751 5.427 -10.036 1.00 0.00 C ATOM 928 CE LYS A 63 -7.900 6.370 -9.683 1.00 0.00 C ATOM 929 NZ LYS A 63 -9.229 5.732 -9.885 1.00 0.00 N ATOM 0 H LYS A 63 -4.504 7.380 -6.228 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.983 6.746 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.127 5.674 -7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.990 7.165 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.334 6.969 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.601 5.419 -10.186 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.869 5.079 -11.062 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.793 4.547 -9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.804 6.685 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.833 7.269 -10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.980 6.407 -9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.333 5.454 -10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.305 4.889 -9.281 1.00 0.00 H new ATOM 943 N GLY A 64 -3.021 8.548 -10.194 1.00 0.00 N ATOM 944 CA GLY A 64 -2.937 9.654 -11.144 1.00 0.00 C ATOM 945 C GLY A 64 -4.092 9.703 -12.145 1.00 0.00 C ATOM 946 O GLY A 64 -5.139 9.082 -11.946 1.00 0.00 O ATOM 0 H GLY A 64 -2.405 7.763 -10.405 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.909 10.593 -10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.998 9.578 -11.692 1.00 0.00 H new ATOM 950 N LYS A 65 -3.896 10.448 -13.230 1.00 0.00 N ATOM 951 CA LYS A 65 -4.931 10.629 -14.260 1.00 0.00 C ATOM 952 C LYS A 65 -4.973 9.454 -15.251 1.00 0.00 C ATOM 953 O LYS A 65 -3.947 8.834 -15.532 1.00 0.00 O ATOM 954 CB LYS A 65 -4.671 11.929 -15.034 1.00 0.00 C ATOM 955 CG LYS A 65 -5.709 12.232 -16.115 1.00 0.00 C ATOM 956 CD LYS A 65 -5.246 13.346 -17.050 1.00 0.00 C ATOM 957 CE LYS A 65 -4.017 12.932 -17.860 1.00 0.00 C ATOM 958 NZ LYS A 65 -4.298 11.780 -18.762 1.00 0.00 N ATOM 0 H LYS A 65 -3.025 10.942 -13.425 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.893 10.675 -13.750 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.644 12.760 -14.329 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.686 11.872 -15.497 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.905 11.329 -16.694 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.650 12.519 -15.645 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.056 13.611 -17.729 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.014 14.237 -16.467 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.673 13.779 -18.453 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.207 12.669 -17.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.602 11.766 -19.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.235 10.893 -18.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.254 11.876 -19.160 1.00 0.00 H new ATOM 972 N SER A 66 -6.176 9.157 -15.767 1.00 0.00 N ATOM 973 CA SER A 66 -6.381 8.148 -16.834 1.00 0.00 C ATOM 974 C SER A 66 -5.730 6.790 -16.521 1.00 0.00 C ATOM 975 O SER A 66 -5.548 5.955 -17.415 1.00 0.00 O ATOM 976 CB SER A 66 -5.891 8.683 -18.196 1.00 0.00 C ATOM 977 OG SER A 66 -4.541 9.129 -18.148 1.00 0.00 O ATOM 0 H SER A 66 -7.039 9.607 -15.460 1.00 0.00 H new ATOM 0 HA SER A 66 -7.455 7.972 -16.883 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.985 7.899 -18.947 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.532 9.506 -18.512 1.00 0.00 H new ATOM 0 HG SER A 66 -4.111 8.783 -17.338 1.00 0.00 H new ATOM 983 N ALA A 67 -5.410 6.564 -15.249 1.00 0.00 N ATOM 984 CA ALA A 67 -4.829 5.301 -14.799 1.00 0.00 C ATOM 985 C ALA A 67 -5.826 4.520 -13.935 1.00 0.00 C ATOM 986 O ALA A 67 -6.628 5.107 -13.209 1.00 0.00 O ATOM 987 CB ALA A 67 -3.537 5.561 -14.025 1.00 0.00 C ATOM 0 H ALA A 67 -5.545 7.248 -14.504 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.596 4.697 -15.676 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.113 4.612 -13.695 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.823 6.072 -14.670 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.752 6.184 -13.157 1.00 0.00 H new ATOM 993 N ARG A 68 -5.775 3.196 -14.025 1.00 0.00 N ATOM 994 CA ARG A 68 -6.653 2.324 -13.232 1.00 0.00 C ATOM 995 C ARG A 68 -5.836 1.481 -12.240 1.00 0.00 C ATOM 996 O ARG A 68 -6.331 0.508 -11.668 1.00 0.00 O ATOM 997 CB ARG A 68 -7.488 1.431 -14.167 1.00 0.00 C ATOM 998 CG ARG A 68 -6.675 0.729 -15.251 1.00 0.00 C ATOM 999 CD ARG A 68 -7.574 0.025 -16.268 1.00 0.00 C ATOM 1000 NE ARG A 68 -8.590 0.926 -16.820 1.00 0.00 N ATOM 1001 CZ ARG A 68 -8.459 1.608 -17.930 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -7.393 1.505 -18.655 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -9.413 2.387 -18.320 1.00 0.00 N ATOM 0 H ARG A 68 -5.134 2.695 -14.640 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.334 2.945 -12.650 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.002 0.678 -13.569 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.257 2.040 -14.642 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.047 1.458 -15.764 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.007 0.001 -14.791 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.963 -0.372 -17.079 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.063 -0.825 -15.792 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.462 1.029 -16.302 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.637 0.885 -18.365 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.308 2.044 -19.517 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.264 2.469 -17.764 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.315 2.920 -19.184 1.00 0.00 H new ATOM 1017 N VAL A 69 -4.585 1.887 -12.033 1.00 0.00 N ATOM 1018 CA VAL A 69 -3.660 1.204 -11.121 1.00 0.00 C ATOM 1019 C VAL A 69 -2.726 2.217 -10.436 1.00 0.00 C ATOM 1020 O VAL A 69 -2.692 3.388 -10.811 1.00 0.00 O ATOM 1021 CB VAL A 69 -2.791 0.156 -11.873 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -3.639 -1.008 -12.389 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.034 0.819 -13.021 1.00 0.00 C ATOM 0 H VAL A 69 -4.179 2.702 -12.493 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.267 0.694 -10.373 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.069 -0.250 -11.164 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.000 -1.721 -12.909 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.127 -1.503 -11.549 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.396 -0.630 -13.077 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.430 0.073 -13.538 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.745 1.258 -13.721 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.385 1.600 -12.626 1.00 0.00 H new ATOM 1033 N ILE A 70 -1.978 1.759 -9.430 1.00 0.00 N ATOM 1034 CA ILE A 70 -0.974 2.599 -8.758 1.00 0.00 C ATOM 1035 C ILE A 70 0.422 1.955 -8.837 1.00 0.00 C ATOM 1036 O ILE A 70 0.555 0.733 -8.767 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.334 2.857 -7.268 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.443 1.530 -6.493 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -2.630 3.661 -7.157 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.711 1.703 -5.012 1.00 0.00 C ATOM 0 H ILE A 70 -2.046 0.811 -9.060 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.966 3.555 -9.281 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.531 3.443 -6.820 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.242 0.931 -6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.517 0.969 -6.621 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.864 3.831 -6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.508 4.620 -7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.443 3.106 -7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.774 0.724 -4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.900 2.274 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.652 2.235 -4.872 1.00 0.00 H new ATOM 1052 N ASN A 71 1.457 2.774 -8.998 1.00 0.00 N ATOM 1053 CA ASN A 71 2.835 2.270 -9.070 1.00 0.00 C ATOM 1054 C ASN A 71 3.573 2.451 -7.728 1.00 0.00 C ATOM 1055 O ASN A 71 3.029 3.014 -6.779 1.00 0.00 O ATOM 1056 CB ASN A 71 3.603 2.959 -10.207 1.00 0.00 C ATOM 1057 CG ASN A 71 3.957 4.403 -9.897 1.00 0.00 C ATOM 1058 OD1 ASN A 71 5.023 4.686 -9.364 1.00 0.00 O ATOM 1059 ND2 ASN A 71 3.071 5.324 -10.207 1.00 0.00 N ATOM 0 H ASN A 71 1.374 3.787 -9.081 1.00 0.00 H new ATOM 0 HA ASN A 71 2.787 1.201 -9.280 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.518 2.402 -10.409 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.002 2.925 -11.116 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.263 6.305 -10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.192 5.057 -10.650 1.00 0.00 H new ATOM 1066 N TYR A 72 4.825 1.985 -7.662 1.00 0.00 N ATOM 1067 CA TYR A 72 5.615 2.005 -6.416 1.00 0.00 C ATOM 1068 C TYR A 72 5.737 3.418 -5.795 1.00 0.00 C ATOM 1069 O TYR A 72 5.909 3.561 -4.577 1.00 0.00 O ATOM 1070 CB TYR A 72 7.010 1.413 -6.671 1.00 0.00 C ATOM 1071 CG TYR A 72 7.842 1.227 -5.415 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.349 0.502 -4.334 1.00 0.00 C ATOM 1073 CD2 TYR A 72 9.121 1.765 -5.313 1.00 0.00 C ATOM 1074 CE1 TYR A 72 8.103 0.326 -3.190 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.879 1.591 -4.171 1.00 0.00 C ATOM 1076 CZ TYR A 72 9.365 0.872 -3.113 1.00 0.00 C ATOM 1077 OH TYR A 72 10.121 0.696 -1.976 1.00 0.00 O ATOM 0 H TYR A 72 5.320 1.586 -8.460 1.00 0.00 H new ATOM 0 HA TYR A 72 5.078 1.393 -5.691 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.899 0.449 -7.167 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.550 2.064 -7.358 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.361 0.070 -4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.528 2.328 -6.140 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.704 -0.238 -2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.870 2.016 -4.107 1.00 0.00 H new ATOM 0 HH TYR A 72 10.986 1.144 -2.086 1.00 0.00 H new ATOM 1087 N GLU A 73 5.661 4.461 -6.620 1.00 0.00 N ATOM 1088 CA GLU A 73 5.655 5.840 -6.109 1.00 0.00 C ATOM 1089 C GLU A 73 4.335 6.158 -5.395 1.00 0.00 C ATOM 1090 O GLU A 73 4.321 6.467 -4.202 1.00 0.00 O ATOM 1091 CB GLU A 73 5.902 6.851 -7.243 1.00 0.00 C ATOM 1092 CG GLU A 73 7.347 6.889 -7.728 1.00 0.00 C ATOM 1093 CD GLU A 73 8.325 7.096 -6.584 1.00 0.00 C ATOM 1094 OE1 GLU A 73 8.203 8.109 -5.865 1.00 0.00 O ATOM 1095 OE2 GLU A 73 9.183 6.218 -6.362 1.00 0.00 O ATOM 0 H GLU A 73 5.603 4.385 -7.635 1.00 0.00 H new ATOM 0 HA GLU A 73 6.467 5.926 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.253 6.606 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.617 7.845 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.582 5.957 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.464 7.692 -8.455 1.00 0.00 H new ATOM 1102 N GLU A 74 3.230 6.052 -6.131 1.00 0.00 N ATOM 1103 CA GLU A 74 1.891 6.307 -5.586 1.00 0.00 C ATOM 1104 C GLU A 74 1.618 5.400 -4.369 1.00 0.00 C ATOM 1105 O GLU A 74 0.933 5.786 -3.421 1.00 0.00 O ATOM 1106 CB GLU A 74 0.846 6.082 -6.694 1.00 0.00 C ATOM 1107 CG GLU A 74 1.117 6.918 -7.949 1.00 0.00 C ATOM 1108 CD GLU A 74 0.265 6.524 -9.151 1.00 0.00 C ATOM 1109 OE1 GLU A 74 0.421 5.389 -9.641 1.00 0.00 O ATOM 1110 OE2 GLU A 74 -0.536 7.359 -9.627 1.00 0.00 O ATOM 0 H GLU A 74 3.233 5.789 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 74 1.827 7.340 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.831 5.026 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.144 6.326 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.939 7.969 -7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.170 6.824 -8.216 1.00 0.00 H new ATOM 1117 N PHE A 75 2.193 4.202 -4.410 1.00 0.00 N ATOM 1118 CA PHE A 75 2.110 3.238 -3.311 1.00 0.00 C ATOM 1119 C PHE A 75 2.726 3.797 -2.014 1.00 0.00 C ATOM 1120 O PHE A 75 2.090 3.776 -0.960 1.00 0.00 O ATOM 1121 CB PHE A 75 2.822 1.945 -3.730 1.00 0.00 C ATOM 1122 CG PHE A 75 2.845 0.864 -2.677 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.667 0.299 -2.214 1.00 0.00 C ATOM 1124 CD2 PHE A 75 4.049 0.405 -2.163 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.689 -0.698 -1.257 1.00 0.00 C ATOM 1126 CE2 PHE A 75 4.076 -0.593 -1.208 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.896 -1.145 -0.753 1.00 0.00 C ATOM 0 H PHE A 75 2.733 3.868 -5.209 1.00 0.00 H new ATOM 0 HA PHE A 75 1.060 3.034 -3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.336 1.552 -4.623 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.849 2.185 -4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.721 0.642 -2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.976 0.833 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.763 -1.128 -0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.021 -0.941 -0.818 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.915 -1.924 -0.005 1.00 0.00 H new ATOM 1137 N LYS A 76 3.962 4.301 -2.094 1.00 0.00 N ATOM 1138 CA LYS A 76 4.643 4.858 -0.912 1.00 0.00 C ATOM 1139 C LYS A 76 3.879 6.057 -0.315 1.00 0.00 C ATOM 1140 O LYS A 76 3.743 6.168 0.907 1.00 0.00 O ATOM 1141 CB LYS A 76 6.086 5.262 -1.243 1.00 0.00 C ATOM 1142 CG LYS A 76 6.994 4.078 -1.571 1.00 0.00 C ATOM 1143 CD LYS A 76 8.465 4.489 -1.641 1.00 0.00 C ATOM 1144 CE LYS A 76 8.724 5.527 -2.726 1.00 0.00 C ATOM 1145 NZ LYS A 76 8.490 4.981 -4.088 1.00 0.00 N ATOM 0 H LYS A 76 4.510 4.337 -2.954 1.00 0.00 H new ATOM 0 HA LYS A 76 4.664 4.069 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.077 5.948 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.505 5.807 -0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.869 3.304 -0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.693 3.643 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.774 4.890 -0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.078 3.608 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.076 6.389 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.752 5.882 -2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.774 5.686 -4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.051 4.115 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.480 4.760 -4.205 1.00 0.00 H new ATOM 1159 N LYS A 77 3.380 6.954 -1.173 1.00 0.00 N ATOM 1160 CA LYS A 77 2.557 8.087 -0.709 1.00 0.00 C ATOM 1161 C LYS A 77 1.300 7.586 0.027 1.00 0.00 C ATOM 1162 O LYS A 77 0.903 8.140 1.060 1.00 0.00 O ATOM 1163 CB LYS A 77 2.147 9.005 -1.881 1.00 0.00 C ATOM 1164 CG LYS A 77 3.233 9.986 -2.334 1.00 0.00 C ATOM 1165 CD LYS A 77 4.385 9.298 -3.064 1.00 0.00 C ATOM 1166 CE LYS A 77 5.445 10.302 -3.512 1.00 0.00 C ATOM 1167 NZ LYS A 77 6.492 9.674 -4.366 1.00 0.00 N ATOM 0 H LYS A 77 3.527 6.923 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 77 3.166 8.667 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.861 8.383 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.263 9.572 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.789 10.735 -2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.624 10.515 -1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.840 8.555 -2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.999 8.763 -3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.966 11.111 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.914 10.748 -2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.189 10.393 -4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.968 8.919 -3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.050 9.271 -5.217 1.00 0.00 H new ATOM 1181 N ALA A 78 0.688 6.531 -0.512 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.485 5.901 0.103 1.00 0.00 C ATOM 1183 C ALA A 78 -0.154 5.334 1.490 1.00 0.00 C ATOM 1184 O ALA A 78 -0.921 5.496 2.443 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.020 4.799 -0.807 1.00 0.00 C ATOM 0 H ALA A 78 0.988 6.090 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.252 6.665 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.891 4.336 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.305 5.227 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.247 4.046 -0.960 1.00 0.00 H new ATOM 1191 N LEU A 79 1.002 4.673 1.595 1.00 0.00 N ATOM 1192 CA LEU A 79 1.461 4.098 2.866 1.00 0.00 C ATOM 1193 C LEU A 79 1.575 5.162 3.961 1.00 0.00 C ATOM 1194 O LEU A 79 1.164 4.933 5.096 1.00 0.00 O ATOM 1195 CB LEU A 79 2.809 3.389 2.683 1.00 0.00 C ATOM 1196 CG LEU A 79 2.772 2.151 1.779 1.00 0.00 C ATOM 1197 CD1 LEU A 79 4.162 1.540 1.662 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.767 1.127 2.309 1.00 0.00 C ATOM 0 H LEU A 79 1.640 4.522 0.814 1.00 0.00 H new ATOM 0 HA LEU A 79 0.714 3.370 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.524 4.101 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.183 3.094 3.663 1.00 0.00 H new ATOM 0 HG LEU A 79 2.448 2.456 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.120 0.662 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.847 2.272 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.515 1.248 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.755 0.256 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.055 0.821 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.773 1.573 2.337 1.00 0.00 H new ATOM 1210 N GLU A 80 2.125 6.328 3.617 1.00 0.00 N ATOM 1211 CA GLU A 80 2.237 7.432 4.579 1.00 0.00 C ATOM 1212 C GLU A 80 0.854 7.868 5.090 1.00 0.00 C ATOM 1213 O GLU A 80 0.654 8.044 6.294 1.00 0.00 O ATOM 1214 CB GLU A 80 2.972 8.630 3.958 1.00 0.00 C ATOM 1215 CG GLU A 80 3.061 9.841 4.889 1.00 0.00 C ATOM 1216 CD GLU A 80 3.838 11.004 4.288 1.00 0.00 C ATOM 1217 OE1 GLU A 80 3.494 11.447 3.173 1.00 0.00 O ATOM 1218 OE2 GLU A 80 4.788 11.493 4.931 1.00 0.00 O ATOM 0 H GLU A 80 2.497 6.534 2.690 1.00 0.00 H new ATOM 0 HA GLU A 80 2.817 7.069 5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.979 8.322 3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.462 8.924 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.054 10.175 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.536 9.539 5.823 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.101 8.036 4.175 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.470 8.400 4.558 1.00 0.00 C ATOM 1227 C GLU A 81 -2.086 7.347 5.497 1.00 0.00 C ATOM 1228 O GLU A 81 -2.588 7.683 6.572 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.342 8.607 3.310 1.00 0.00 C ATOM 1230 CG GLU A 81 -1.900 9.804 2.474 1.00 0.00 C ATOM 1231 CD GLU A 81 -2.811 10.103 1.293 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -4.046 10.031 1.455 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -2.289 10.456 0.209 1.00 0.00 O ATOM 0 H GLU A 81 0.044 7.928 3.171 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.429 9.342 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.308 7.708 2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.379 8.746 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.852 10.684 3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.890 9.623 2.105 1.00 0.00 H new ATOM 1240 N LEU A 82 -2.014 6.073 5.106 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.507 4.973 5.948 1.00 0.00 C ATOM 1242 C LEU A 82 -1.790 4.944 7.310 1.00 0.00 C ATOM 1243 O LEU A 82 -2.411 4.711 8.351 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.317 3.629 5.231 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.133 3.448 3.938 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -2.803 2.111 3.280 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -4.631 3.556 4.224 1.00 0.00 C ATOM 0 H LEU A 82 -1.620 5.774 4.214 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.569 5.141 6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.260 3.510 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.580 2.828 5.922 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.862 4.246 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.389 2.000 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.741 2.078 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.043 1.299 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.189 3.425 3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.922 2.783 4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.851 4.537 4.645 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.481 5.191 7.287 1.00 0.00 N ATOM 1260 CA ALA A 83 0.333 5.231 8.507 1.00 0.00 C ATOM 1261 C ALA A 83 -0.172 6.292 9.495 1.00 0.00 C ATOM 1262 O ALA A 83 -0.400 5.996 10.662 1.00 0.00 O ATOM 1263 CB ALA A 83 1.793 5.495 8.156 1.00 0.00 C ATOM 0 H ALA A 83 0.044 5.368 6.431 1.00 0.00 H new ATOM 0 HA ALA A 83 0.247 4.259 8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.388 5.523 9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.161 4.700 7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.876 6.452 7.640 1.00 0.00 H new ATOM 1269 N THR A 84 -0.353 7.523 9.015 1.00 0.00 N ATOM 1270 CA THR A 84 -0.808 8.627 9.876 1.00 0.00 C ATOM 1271 C THR A 84 -2.242 8.408 10.387 1.00 0.00 C ATOM 1272 O THR A 84 -2.644 8.991 11.396 1.00 0.00 O ATOM 1273 CB THR A 84 -0.732 9.998 9.157 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.650 10.045 8.050 1.00 0.00 O ATOM 1275 CG2 THR A 84 0.681 10.279 8.655 1.00 0.00 C ATOM 0 H THR A 84 -0.194 7.785 8.042 1.00 0.00 H new ATOM 0 HA THR A 84 -0.126 8.636 10.726 1.00 0.00 H new ATOM 0 HB THR A 84 -1.006 10.763 9.884 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.812 9.136 7.720 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.704 11.247 8.155 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.371 10.290 9.498 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.979 9.501 7.952 1.00 0.00 H new ATOM 1283 N LYS A 85 -3.016 7.582 9.682 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.358 7.203 10.141 1.00 0.00 C ATOM 1285 C LYS A 85 -4.288 6.129 11.240 1.00 0.00 C ATOM 1286 O LYS A 85 -5.007 6.198 12.239 1.00 0.00 O ATOM 1287 CB LYS A 85 -5.207 6.687 8.971 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.431 7.714 7.861 1.00 0.00 C ATOM 1289 CD LYS A 85 -6.317 7.161 6.746 1.00 0.00 C ATOM 1290 CE LYS A 85 -6.458 8.150 5.595 1.00 0.00 C ATOM 1291 NZ LYS A 85 -7.387 7.655 4.546 1.00 0.00 N ATOM 0 H LYS A 85 -2.740 7.163 8.794 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.826 8.096 10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.723 5.808 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.175 6.364 9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.891 8.608 8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.469 8.015 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.894 6.228 6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.303 6.927 7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.820 9.104 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.479 8.335 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.079 8.005 3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.384 6.615 4.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.349 7.998 4.744 1.00 0.00 H new ATOM 1305 N ARG A 86 -3.425 5.136 11.045 1.00 0.00 N ATOM 1306 CA ARG A 86 -3.267 4.043 12.011 1.00 0.00 C ATOM 1307 C ARG A 86 -2.355 4.460 13.175 1.00 0.00 C ATOM 1308 O ARG A 86 -2.786 4.525 14.328 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.695 2.803 11.307 1.00 0.00 C ATOM 1310 CG ARG A 86 -2.698 1.532 12.160 1.00 0.00 C ATOM 1311 CD ARG A 86 -4.103 1.164 12.637 1.00 0.00 C ATOM 1312 NE ARG A 86 -4.149 -0.167 13.243 1.00 0.00 N ATOM 1313 CZ ARG A 86 -5.104 -0.584 14.036 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -6.022 0.228 14.451 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -5.111 -1.813 14.440 1.00 0.00 N ATOM 0 H ARG A 86 -2.821 5.062 10.226 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.248 3.804 12.421 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.270 2.618 10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.672 3.016 10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.284 0.706 11.581 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.048 1.674 13.023 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.444 1.903 13.361 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.793 1.202 11.794 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.387 -0.812 13.034 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.007 1.206 14.161 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.760 -0.110 15.068 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.375 -2.452 14.141 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.853 -2.143 15.058 1.00 0.00 H new ATOM 1329 N PHE A 87 -1.094 4.737 12.858 1.00 0.00 N ATOM 1330 CA PHE A 87 -0.114 5.183 13.856 1.00 0.00 C ATOM 1331 C PHE A 87 -0.302 6.678 14.166 1.00 0.00 C ATOM 1332 O PHE A 87 0.309 7.546 13.537 1.00 0.00 O ATOM 1333 CB PHE A 87 1.317 4.917 13.359 1.00 0.00 C ATOM 1334 CG PHE A 87 1.547 3.491 12.919 1.00 0.00 C ATOM 1335 CD1 PHE A 87 1.740 2.485 13.855 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.557 3.156 11.571 1.00 0.00 C ATOM 1337 CE1 PHE A 87 1.939 1.178 13.457 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.753 1.850 11.168 1.00 0.00 C ATOM 1339 CZ PHE A 87 1.945 0.861 12.111 1.00 0.00 C ATOM 0 H PHE A 87 -0.720 4.661 11.912 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.275 4.616 14.773 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.534 5.585 12.526 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.021 5.161 14.155 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.734 2.727 14.907 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.410 3.927 10.829 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.090 0.405 14.196 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.756 1.603 10.117 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.100 -0.161 11.798 1.00 0.00 H new ATOM 1349 N LYS A 88 -1.165 6.969 15.132 1.00 0.00 N ATOM 1350 CA LYS A 88 -1.548 8.349 15.449 1.00 0.00 C ATOM 1351 C LYS A 88 -0.481 9.044 16.316 1.00 0.00 C ATOM 1352 O LYS A 88 -0.536 8.993 17.547 1.00 0.00 O ATOM 1353 CB LYS A 88 -2.911 8.355 16.161 1.00 0.00 C ATOM 1354 CG LYS A 88 -3.969 7.512 15.448 1.00 0.00 C ATOM 1355 CD LYS A 88 -5.293 7.475 16.213 1.00 0.00 C ATOM 1356 CE LYS A 88 -6.268 6.464 15.610 1.00 0.00 C ATOM 1357 NZ LYS A 88 -6.612 6.780 14.200 1.00 0.00 N ATOM 0 H LYS A 88 -1.618 6.266 15.716 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.626 8.908 14.517 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.784 7.982 17.177 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.267 9.382 16.240 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.140 7.915 14.450 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.596 6.496 15.322 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.103 7.220 17.256 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.746 8.466 16.204 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.830 5.467 15.660 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.180 6.442 16.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.288 6.076 13.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.039 7.727 14.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.750 6.759 13.619 1.00 0.00 H new ATOM 1371 N GLY A 89 0.512 9.657 15.664 1.00 0.00 N ATOM 1372 CA GLY A 89 1.561 10.376 16.395 1.00 0.00 C ATOM 1373 C GLY A 89 2.272 11.463 15.580 1.00 0.00 C ATOM 1374 O GLY A 89 3.228 12.068 16.067 1.00 0.00 O ATOM 0 H GLY A 89 0.612 9.671 14.649 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.121 10.833 17.281 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.302 9.657 16.743 1.00 0.00 H new ATOM 1378 N LYS A 90 1.809 11.704 14.344 1.00 0.00 N ATOM 1379 CA LYS A 90 2.391 12.730 13.445 1.00 0.00 C ATOM 1380 C LYS A 90 3.769 12.329 12.866 1.00 0.00 C ATOM 1381 O LYS A 90 4.021 12.528 11.676 1.00 0.00 O ATOM 1382 CB LYS A 90 2.506 14.097 14.148 1.00 0.00 C ATOM 1383 CG LYS A 90 3.174 15.167 13.286 1.00 0.00 C ATOM 1384 CD LYS A 90 3.450 16.454 14.060 1.00 0.00 C ATOM 1385 CE LYS A 90 4.264 17.439 13.224 1.00 0.00 C ATOM 1386 NZ LYS A 90 4.614 18.667 13.984 1.00 0.00 N ATOM 0 H LYS A 90 1.023 11.199 13.934 1.00 0.00 H new ATOM 0 HA LYS A 90 1.696 12.808 12.609 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.510 14.438 14.430 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.074 13.977 15.070 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.112 14.777 12.890 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.536 15.391 12.431 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.506 16.915 14.353 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.989 16.220 14.978 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.178 16.953 12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.696 17.714 12.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.166 19.306 13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.743 19.146 14.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.178 18.410 14.819 1.00 0.00 H new ATOM 1400 N SER A 91 4.650 11.778 13.708 1.00 0.00 N ATOM 1401 CA SER A 91 6.026 11.431 13.319 1.00 0.00 C ATOM 1402 C SER A 91 6.102 10.690 11.974 1.00 0.00 C ATOM 1403 O SER A 91 5.792 9.501 11.888 1.00 0.00 O ATOM 1404 CB SER A 91 6.665 10.582 14.421 1.00 0.00 C ATOM 1405 OG SER A 91 5.853 9.463 14.754 1.00 0.00 O ATOM 0 H SER A 91 4.431 11.559 14.680 1.00 0.00 H new ATOM 0 HA SER A 91 6.572 12.365 13.191 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.645 10.237 14.093 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.823 11.195 15.308 1.00 0.00 H new ATOM 0 HG SER A 91 5.493 9.065 13.934 1.00 0.00 H new ATOM 1411 N LYS A 92 6.541 11.412 10.940 1.00 0.00 N ATOM 1412 CA LYS A 92 6.616 10.885 9.574 1.00 0.00 C ATOM 1413 C LYS A 92 7.543 9.664 9.453 1.00 0.00 C ATOM 1414 O LYS A 92 7.088 8.573 9.121 1.00 0.00 O ATOM 1415 CB LYS A 92 7.075 11.994 8.613 1.00 0.00 C ATOM 1416 CG LYS A 92 5.951 12.916 8.147 1.00 0.00 C ATOM 1417 CD LYS A 92 6.485 14.103 7.342 1.00 0.00 C ATOM 1418 CE LYS A 92 5.370 14.856 6.623 1.00 0.00 C ATOM 1419 NZ LYS A 92 4.827 14.084 5.471 1.00 0.00 N ATOM 0 H LYS A 92 6.855 12.379 11.026 1.00 0.00 H new ATOM 0 HA LYS A 92 5.615 10.547 9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.842 12.593 9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.540 11.535 7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.247 12.351 7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.400 13.283 9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.011 14.786 8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.212 13.748 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.566 15.071 7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.749 15.815 6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.788 14.110 5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.164 14.505 4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.150 13.097 5.531 1.00 0.00 H new ATOM 1433 N GLU A 93 8.835 9.850 9.727 1.00 0.00 N ATOM 1434 CA GLU A 93 9.827 8.777 9.539 1.00 0.00 C ATOM 1435 C GLU A 93 9.440 7.490 10.284 1.00 0.00 C ATOM 1436 O GLU A 93 9.468 6.400 9.710 1.00 0.00 O ATOM 1437 CB GLU A 93 11.217 9.246 9.991 1.00 0.00 C ATOM 1438 CG GLU A 93 11.763 10.420 9.185 1.00 0.00 C ATOM 1439 CD GLU A 93 13.150 10.855 9.633 1.00 0.00 C ATOM 1440 OE1 GLU A 93 13.264 11.488 10.707 1.00 0.00 O ATOM 1441 OE2 GLU A 93 14.132 10.572 8.912 1.00 0.00 O ATOM 0 H GLU A 93 9.223 10.726 10.078 1.00 0.00 H new ATOM 0 HA GLU A 93 9.850 8.547 8.474 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.170 9.530 11.042 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.914 8.411 9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.797 10.145 8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.078 11.263 9.272 1.00 0.00 H new ATOM 1448 N GLU A 94 9.068 7.620 11.557 1.00 0.00 N ATOM 1449 CA GLU A 94 8.707 6.455 12.377 1.00 0.00 C ATOM 1450 C GLU A 94 7.415 5.783 11.878 1.00 0.00 C ATOM 1451 O GLU A 94 7.345 4.558 11.771 1.00 0.00 O ATOM 1452 CB GLU A 94 8.559 6.860 13.851 1.00 0.00 C ATOM 1453 CG GLU A 94 8.402 5.672 14.797 1.00 0.00 C ATOM 1454 CD GLU A 94 8.323 6.079 16.261 1.00 0.00 C ATOM 1455 OE1 GLU A 94 9.337 6.574 16.800 1.00 0.00 O ATOM 1456 OE2 GLU A 94 7.252 5.901 16.883 1.00 0.00 O ATOM 0 H GLU A 94 9.008 8.514 12.045 1.00 0.00 H new ATOM 0 HA GLU A 94 9.515 5.729 12.286 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.433 7.439 14.150 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.693 7.514 13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.501 5.120 14.531 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.244 4.993 14.660 1.00 0.00 H new ATOM 1463 N ALA A 95 6.396 6.586 11.560 1.00 0.00 N ATOM 1464 CA ALA A 95 5.124 6.046 11.062 1.00 0.00 C ATOM 1465 C ALA A 95 5.298 5.373 9.693 1.00 0.00 C ATOM 1466 O ALA A 95 4.733 4.308 9.432 1.00 0.00 O ATOM 1467 CB ALA A 95 4.066 7.143 10.983 1.00 0.00 C ATOM 0 H ALA A 95 6.424 7.603 11.637 1.00 0.00 H new ATOM 0 HA ALA A 95 4.789 5.287 11.769 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.132 6.721 10.612 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.905 7.565 11.975 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.405 7.927 10.306 1.00 0.00 H new ATOM 1473 N PHE A 96 6.092 5.997 8.825 1.00 0.00 N ATOM 1474 CA PHE A 96 6.364 5.454 7.491 1.00 0.00 C ATOM 1475 C PHE A 96 7.215 4.176 7.578 1.00 0.00 C ATOM 1476 O PHE A 96 7.025 3.238 6.804 1.00 0.00 O ATOM 1477 CB PHE A 96 7.068 6.503 6.618 1.00 0.00 C ATOM 1478 CG PHE A 96 7.222 6.089 5.171 1.00 0.00 C ATOM 1479 CD1 PHE A 96 6.152 6.187 4.291 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.431 5.600 4.693 1.00 0.00 C ATOM 1481 CE1 PHE A 96 6.286 5.809 2.969 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.568 5.220 3.370 1.00 0.00 C ATOM 1483 CZ PHE A 96 7.495 5.325 2.508 1.00 0.00 C ATOM 0 H PHE A 96 6.561 6.882 9.020 1.00 0.00 H new ATOM 0 HA PHE A 96 5.410 5.197 7.031 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.505 7.435 6.662 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.054 6.706 7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.203 6.563 4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.274 5.515 5.362 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.446 5.892 2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.514 4.841 3.012 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.600 5.029 1.475 1.00 0.00 H new ATOM 1493 N ASP A 97 8.158 4.147 8.517 1.00 0.00 N ATOM 1494 CA ASP A 97 8.950 2.945 8.777 1.00 0.00 C ATOM 1495 C ASP A 97 8.036 1.805 9.241 1.00 0.00 C ATOM 1496 O ASP A 97 8.081 0.695 8.716 1.00 0.00 O ATOM 1497 CB ASP A 97 10.003 3.231 9.853 1.00 0.00 C ATOM 1498 CG ASP A 97 11.057 2.139 9.941 1.00 0.00 C ATOM 1499 OD1 ASP A 97 12.017 2.169 9.141 1.00 0.00 O ATOM 1500 OD2 ASP A 97 10.939 1.253 10.813 1.00 0.00 O ATOM 0 H ASP A 97 8.393 4.942 9.111 1.00 0.00 H new ATOM 0 HA ASP A 97 9.452 2.650 7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.488 4.183 9.638 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.511 3.335 10.820 1.00 0.00 H new ATOM 1505 N ALA A 98 7.190 2.117 10.217 1.00 0.00 N ATOM 1506 CA ALA A 98 6.257 1.153 10.801 1.00 0.00 C ATOM 1507 C ALA A 98 5.293 0.552 9.758 1.00 0.00 C ATOM 1508 O ALA A 98 5.145 -0.669 9.676 1.00 0.00 O ATOM 1509 CB ALA A 98 5.487 1.825 11.929 1.00 0.00 C ATOM 0 H ALA A 98 7.130 3.048 10.629 1.00 0.00 H new ATOM 0 HA ALA A 98 6.837 0.318 11.194 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.790 1.112 12.369 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.185 2.168 12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.934 2.677 11.535 1.00 0.00 H new ATOM 1515 N ILE A 99 4.646 1.403 8.956 1.00 0.00 N ATOM 1516 CA ILE A 99 3.722 0.923 7.914 1.00 0.00 C ATOM 1517 C ILE A 99 4.459 0.031 6.893 1.00 0.00 C ATOM 1518 O ILE A 99 3.932 -0.988 6.438 1.00 0.00 O ATOM 1519 CB ILE A 99 3.016 2.102 7.181 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.901 1.590 6.250 1.00 0.00 C ATOM 1521 CG2 ILE A 99 4.018 2.944 6.397 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.719 0.976 6.978 1.00 0.00 C ATOM 0 H ILE A 99 4.740 2.417 9.004 1.00 0.00 H new ATOM 0 HA ILE A 99 2.956 0.330 8.413 1.00 0.00 H new ATOM 0 HB ILE A 99 2.562 2.735 7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.546 2.418 5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.321 0.848 5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.495 3.759 5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.761 3.355 7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.514 2.320 5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.021 0.641 6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.058 0.126 7.570 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.270 1.720 7.636 1.00 0.00 H new ATOM 1534 N CYS A 100 5.697 0.411 6.556 1.00 0.00 N ATOM 1535 CA CYS A 100 6.542 -0.391 5.659 1.00 0.00 C ATOM 1536 C CYS A 100 7.068 -1.645 6.370 1.00 0.00 C ATOM 1537 O CYS A 100 7.385 -2.644 5.730 1.00 0.00 O ATOM 1538 CB CYS A 100 7.721 0.442 5.137 1.00 0.00 C ATOM 1539 SG CYS A 100 7.237 1.858 4.117 1.00 0.00 S ATOM 0 H CYS A 100 6.137 1.268 6.890 1.00 0.00 H new ATOM 0 HA CYS A 100 5.926 -0.702 4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 100 8.301 0.802 5.987 1.00 0.00 H new ATOM 0 HB3 CYS A 100 8.377 -0.204 4.554 1.00 0.00 H new ATOM 0 HG CYS A 100 6.930 2.861 4.885 1.00 0.00 H new ATOM 1545 N GLN A 101 7.160 -1.576 7.694 1.00 0.00 N ATOM 1546 CA GLN A 101 7.597 -2.711 8.514 1.00 0.00 C ATOM 1547 C GLN A 101 6.500 -3.788 8.577 1.00 0.00 C ATOM 1548 O GLN A 101 6.788 -4.985 8.665 1.00 0.00 O ATOM 1549 CB GLN A 101 7.957 -2.219 9.925 1.00 0.00 C ATOM 1550 CG GLN A 101 8.625 -3.265 10.814 1.00 0.00 C ATOM 1551 CD GLN A 101 9.052 -2.695 12.160 1.00 0.00 C ATOM 1552 OE1 GLN A 101 8.304 -2.730 13.132 1.00 0.00 O ATOM 1553 NE2 GLN A 101 10.251 -2.149 12.224 1.00 0.00 N ATOM 0 H GLN A 101 6.936 -0.738 8.231 1.00 0.00 H new ATOM 0 HA GLN A 101 8.480 -3.159 8.059 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.621 -1.359 9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.049 -1.871 10.416 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.936 -4.094 10.976 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.497 -3.671 10.301 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.850 -2.135 11.398 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.579 -1.741 13.099 1.00 0.00 H new ATOM 1562 N LEU A 102 5.239 -3.350 8.534 1.00 0.00 N ATOM 1563 CA LEU A 102 4.092 -4.266 8.454 1.00 0.00 C ATOM 1564 C LEU A 102 4.112 -5.057 7.136 1.00 0.00 C ATOM 1565 O LEU A 102 4.083 -6.291 7.133 1.00 0.00 O ATOM 1566 CB LEU A 102 2.773 -3.485 8.561 1.00 0.00 C ATOM 1567 CG LEU A 102 2.568 -2.698 9.866 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.238 -1.950 9.838 1.00 0.00 C ATOM 1569 CD2 LEU A 102 2.645 -3.626 11.077 1.00 0.00 C ATOM 0 H LEU A 102 4.983 -2.363 8.553 1.00 0.00 H new ATOM 0 HA LEU A 102 4.166 -4.966 9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.716 -2.788 7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.946 -4.187 8.448 1.00 0.00 H new ATOM 0 HG LEU A 102 3.370 -1.965 9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.111 -1.399 10.770 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.230 -1.253 9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.422 -2.663 9.724 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.497 -3.047 11.989 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.870 -4.388 11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.623 -4.106 11.106 1.00 0.00 H new ATOM 1581 N VAL A 103 4.161 -4.330 6.020 1.00 0.00 N ATOM 1582 CA VAL A 103 4.221 -4.946 4.689 1.00 0.00 C ATOM 1583 C VAL A 103 5.579 -5.637 4.461 1.00 0.00 C ATOM 1584 O VAL A 103 5.656 -6.861 4.332 1.00 0.00 O ATOM 1585 CB VAL A 103 3.995 -3.883 3.579 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.944 -4.534 2.198 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.726 -3.071 3.846 1.00 0.00 C ATOM 0 H VAL A 103 4.160 -3.310 6.009 1.00 0.00 H new ATOM 0 HA VAL A 103 3.429 -5.693 4.639 1.00 0.00 H new ATOM 0 HB VAL A 103 4.843 -3.198 3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.785 -3.767 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.885 -5.047 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.125 -5.253 2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.592 -2.334 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.865 -3.739 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.816 -2.560 4.805 1.00 0.00 H new ATOM 1597 N ALA A 104 6.640 -4.826 4.427 1.00 0.00 N ATOM 1598 CA ALA A 104 8.015 -5.305 4.234 1.00 0.00 C ATOM 1599 C ALA A 104 8.140 -6.272 3.043 1.00 0.00 C ATOM 1600 O ALA A 104 8.170 -5.841 1.895 1.00 0.00 O ATOM 1601 CB ALA A 104 8.551 -5.927 5.520 1.00 0.00 C ATOM 0 H ALA A 104 6.571 -3.814 4.533 1.00 0.00 H new ATOM 0 HA ALA A 104 8.630 -4.439 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.571 -6.276 5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.545 -5.181 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.921 -6.769 5.807 1.00 0.00 H new ATOM 1607 N GLY A 105 8.186 -7.574 3.318 1.00 0.00 N ATOM 1608 CA GLY A 105 8.318 -8.568 2.255 1.00 0.00 C ATOM 1609 C GLY A 105 7.676 -9.899 2.622 1.00 0.00 C ATOM 1610 O GLY A 105 8.252 -10.965 2.397 1.00 0.00 O ATOM 0 H GLY A 105 8.134 -7.963 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.858 -8.185 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.374 -8.725 2.037 1.00 0.00 H new ATOM 1614 N LYS A 106 6.478 -9.831 3.192 1.00 0.00 N ATOM 1615 CA LYS A 106 5.759 -11.024 3.645 1.00 0.00 C ATOM 1616 C LYS A 106 5.168 -11.834 2.471 1.00 0.00 C ATOM 1617 O LYS A 106 4.924 -11.300 1.387 1.00 0.00 O ATOM 1618 CB LYS A 106 4.639 -10.611 4.615 1.00 0.00 C ATOM 1619 CG LYS A 106 3.770 -11.773 5.085 1.00 0.00 C ATOM 1620 CD LYS A 106 2.601 -11.310 5.948 1.00 0.00 C ATOM 1621 CE LYS A 106 1.614 -12.445 6.191 1.00 0.00 C ATOM 1622 NZ LYS A 106 1.044 -12.959 4.916 1.00 0.00 N ATOM 0 H LYS A 106 5.978 -8.957 3.354 1.00 0.00 H new ATOM 0 HA LYS A 106 6.476 -11.669 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.085 -10.128 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.005 -9.870 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.388 -12.312 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.382 -12.475 5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.974 -10.938 6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.091 -10.479 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.115 -13.256 6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.808 -12.095 6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.008 -12.873 4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.420 -12.405 4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.306 -13.958 4.797 1.00 0.00 H new ATOM 1636 N GLU A 107 4.959 -13.131 2.698 1.00 0.00 N ATOM 1637 CA GLU A 107 4.281 -13.998 1.727 1.00 0.00 C ATOM 1638 C GLU A 107 2.800 -13.589 1.568 1.00 0.00 C ATOM 1639 O GLU A 107 2.122 -13.305 2.558 1.00 0.00 O ATOM 1640 CB GLU A 107 4.395 -15.463 2.179 1.00 0.00 C ATOM 1641 CG GLU A 107 3.764 -15.744 3.543 1.00 0.00 C ATOM 1642 CD GLU A 107 4.267 -17.035 4.173 1.00 0.00 C ATOM 1643 OE1 GLU A 107 3.736 -18.116 3.849 1.00 0.00 O ATOM 1644 OE2 GLU A 107 5.206 -16.965 4.997 1.00 0.00 O ATOM 0 H GLU A 107 5.251 -13.609 3.551 1.00 0.00 H new ATOM 0 HA GLU A 107 4.763 -13.887 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.921 -16.101 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.448 -15.741 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.976 -14.912 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.681 -15.797 3.433 1.00 0.00 H new ATOM 1651 N PRO A 108 2.277 -13.559 0.324 1.00 0.00 N ATOM 1652 CA PRO A 108 0.917 -13.053 0.045 1.00 0.00 C ATOM 1653 C PRO A 108 -0.207 -13.920 0.645 1.00 0.00 C ATOM 1654 O PRO A 108 -0.083 -15.146 0.749 1.00 0.00 O ATOM 1655 CB PRO A 108 0.846 -13.057 -1.492 1.00 0.00 C ATOM 1656 CG PRO A 108 1.845 -14.080 -1.915 1.00 0.00 C ATOM 1657 CD PRO A 108 2.959 -14.017 -0.902 1.00 0.00 C ATOM 0 HA PRO A 108 0.761 -12.074 0.499 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -0.154 -13.312 -1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.086 -12.076 -1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.398 -15.074 -1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.217 -13.870 -2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.430 -14.990 -0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.743 -13.325 -1.209 1.00 0.00 H new ATOM 1665 N ALA A 109 -1.302 -13.254 1.035 1.00 0.00 N ATOM 1666 CA ALA A 109 -2.504 -13.913 1.575 1.00 0.00 C ATOM 1667 C ALA A 109 -2.318 -14.390 3.026 1.00 0.00 C ATOM 1668 O ALA A 109 -1.195 -14.527 3.519 1.00 0.00 O ATOM 1669 CB ALA A 109 -2.949 -15.070 0.686 1.00 0.00 C ATOM 0 H ALA A 109 -1.382 -12.238 0.986 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.289 -13.157 1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.838 -15.535 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.178 -14.695 -0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.149 -15.808 0.621 1.00 0.00 H new