USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 802 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 106 LYS NZ :NH3+ 156:sc= 0.453 (180deg=0) USER MOD Set 1.2: A 110 THR OG1 : rot -150:sc= 0.421 USER MOD Set 2.1: A 82 CYS SG : rot 174:sc= -3.52! USER MOD Set 2.2: A 86 ASN : amide:sc= -0.284 X(o=-4.4,f=-4.5) USER MOD Set 2.3: A 90 SER OG : rot -30:sc= -0.565 USER MOD Set 3.1: A 59 LYS NZ :NH3+ 152:sc= 0.227 (180deg=0) USER MOD Set 3.2: A 64 GLN : amide:sc= -0.936 K(o=-0.71,f=-3.1!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -113:sc= -1.87 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -142:sc= -0.734 (180deg=-3.83!) USER MOD Single : A 20 THR OG1 : rot 72:sc= 1.14 USER MOD Single : A 22 MET CE :methyl -176:sc= -1.3 (180deg=-1.34) USER MOD Single : A 24 THR OG1 : rot -8:sc= 1.09 USER MOD Single : A 25 HIS : no HD1:sc= -0.528 K(o=-0.53,f=-2.8) USER MOD Single : A 36 ASN : amide:sc= -5.21! C(o=-5.2!,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0917) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0521) USER MOD Single : A 51 MET CE :methyl 168:sc= -0.0659 (180deg=-0.397) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 70:sc= 0.527 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0795 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -5:sc= 0.00326 USER MOD Single : A 67 ASN : amide:sc= -2.91 K(o=-2.9,f=-4.4!) USER MOD Single : A 70 THR OG1 : rot -40:sc= 0.375 USER MOD Single : A 81 ASN : amide:sc= -3.4 K(o=-3.4,f=-14!) USER MOD Single : A 84 THR OG1 : rot 87:sc= 1.31 USER MOD Single : A 97 HIS : no HD1:sc= -0.0211 X(o=-0.021,f=-0.16) USER MOD Single : A 98 ASN : amide:sc= 0.656 K(o=0.66,f=-2!) USER MOD Single : A 99 MET CE :methyl -166:sc= -0.755 (180deg=-1.23) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -28:sc= 0.0265 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -1.432 18.346 9.931 1.00 0.00 N ATOM 90 CA LYS A 10 -2.839 18.158 9.598 1.00 0.00 C ATOM 91 C LYS A 10 -2.997 17.182 8.436 1.00 0.00 C ATOM 92 O LYS A 10 -3.773 16.230 8.514 1.00 0.00 O ATOM 93 CB LYS A 10 -3.485 19.499 9.243 1.00 0.00 C ATOM 94 CG LYS A 10 -4.882 19.367 8.662 1.00 0.00 C ATOM 95 CD LYS A 10 -5.936 19.308 9.755 1.00 0.00 C ATOM 96 CE LYS A 10 -6.202 17.877 10.197 1.00 0.00 C ATOM 97 NZ LYS A 10 -7.324 17.796 11.172 1.00 0.00 N ATOM 0 HA LYS A 10 -3.340 17.741 10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.530 20.119 10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.850 20.020 8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.085 20.212 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.939 18.466 8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.608 19.899 10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.862 19.756 9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.434 17.265 9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.300 17.462 10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.473 16.804 11.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.093 18.359 12.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.191 18.168 10.735 1.00 0.00 H new ATOM 111 N ASP A 11 -2.256 17.425 7.360 1.00 0.00 N ATOM 112 CA ASP A 11 -2.312 16.566 6.183 1.00 0.00 C ATOM 113 C ASP A 11 -1.951 15.128 6.542 1.00 0.00 C ATOM 114 O ASP A 11 -2.625 14.185 6.124 1.00 0.00 O ATOM 115 CB ASP A 11 -1.367 17.088 5.100 1.00 0.00 C ATOM 116 CG ASP A 11 0.032 17.342 5.626 1.00 0.00 C ATOM 117 OD1 ASP A 11 0.165 17.664 6.825 1.00 0.00 O ATOM 118 OD2 ASP A 11 0.994 17.220 4.838 1.00 0.00 O ATOM 0 H ASP A 11 -1.610 18.210 7.279 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.333 16.580 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.320 16.366 4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.769 18.012 4.685 1.00 0.00 H new ATOM 123 N LEU A 12 -0.885 14.967 7.317 1.00 0.00 N ATOM 124 CA LEU A 12 -0.433 13.643 7.731 1.00 0.00 C ATOM 125 C LEU A 12 -1.502 12.938 8.559 1.00 0.00 C ATOM 126 O LEU A 12 -1.643 11.717 8.497 1.00 0.00 O ATOM 127 CB LEU A 12 0.862 13.754 8.538 1.00 0.00 C ATOM 128 CG LEU A 12 2.130 14.046 7.735 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.458 12.881 6.814 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.972 15.332 6.937 1.00 0.00 C ATOM 0 H LEU A 12 -0.317 15.736 7.672 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.246 13.053 6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.737 14.542 9.281 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.008 12.822 9.083 1.00 0.00 H new ATOM 0 HG LEU A 12 2.958 14.175 8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.363 13.106 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.615 11.981 7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.631 12.720 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.884 15.524 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.133 15.232 6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.786 16.162 7.618 1.00 0.00 H new ATOM 142 N ALA A 13 -2.255 13.715 9.330 1.00 0.00 N ATOM 143 CA ALA A 13 -3.314 13.165 10.167 1.00 0.00 C ATOM 144 C ALA A 13 -4.365 12.452 9.323 1.00 0.00 C ATOM 145 O ALA A 13 -4.780 11.336 9.641 1.00 0.00 O ATOM 146 CB ALA A 13 -3.958 14.266 10.995 1.00 0.00 C ATOM 0 H ALA A 13 -2.151 14.728 9.392 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.868 12.433 10.841 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.747 13.841 11.615 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.205 14.729 11.633 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.384 15.018 10.331 1.00 0.00 H new ATOM 152 N LEU A 14 -4.794 13.102 8.247 1.00 0.00 N ATOM 153 CA LEU A 14 -5.798 12.530 7.356 1.00 0.00 C ATOM 154 C LEU A 14 -5.265 11.278 6.667 1.00 0.00 C ATOM 155 O LEU A 14 -5.937 10.247 6.626 1.00 0.00 O ATOM 156 CB LEU A 14 -6.225 13.560 6.309 1.00 0.00 C ATOM 157 CG LEU A 14 -7.142 14.679 6.803 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.024 15.901 5.906 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.585 14.199 6.866 1.00 0.00 C ATOM 0 H LEU A 14 -4.462 14.026 7.970 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.664 12.251 7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.328 14.013 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.730 13.036 5.497 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.830 14.960 7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.684 16.687 6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.995 16.259 5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.309 15.634 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.223 15.009 7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.909 13.889 5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.658 13.354 7.551 1.00 0.00 H new ATOM 171 N CYS A 15 -4.054 11.375 6.130 1.00 0.00 N ATOM 172 CA CYS A 15 -3.430 10.249 5.444 1.00 0.00 C ATOM 173 C CYS A 15 -3.572 8.969 6.260 1.00 0.00 C ATOM 174 O CYS A 15 -3.796 7.891 5.709 1.00 0.00 O ATOM 175 CB CYS A 15 -1.952 10.541 5.182 1.00 0.00 C ATOM 176 SG CYS A 15 -1.661 11.924 4.055 1.00 0.00 S ATOM 0 H CYS A 15 -3.485 12.221 6.156 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.939 10.108 4.491 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.460 10.751 6.132 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.483 9.647 4.771 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.135 11.481 2.952 1.00 0.00 H new ATOM 182 N SER A 16 -3.437 9.094 7.576 1.00 0.00 N ATOM 183 CA SER A 16 -3.545 7.946 8.469 1.00 0.00 C ATOM 184 C SER A 16 -4.900 7.262 8.314 1.00 0.00 C ATOM 185 O SER A 16 -4.991 6.035 8.307 1.00 0.00 O ATOM 186 CB SER A 16 -3.343 8.382 9.921 1.00 0.00 C ATOM 187 OG SER A 16 -3.635 7.322 10.817 1.00 0.00 O ATOM 0 H SER A 16 -3.253 9.979 8.048 1.00 0.00 H new ATOM 0 HA SER A 16 -2.766 7.233 8.200 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.314 8.711 10.065 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.985 9.235 10.141 1.00 0.00 H new ATOM 0 HG SER A 16 -3.497 7.625 11.739 1.00 0.00 H new ATOM 193 N MET A 17 -5.950 8.067 8.190 1.00 0.00 N ATOM 194 CA MET A 17 -7.301 7.540 8.034 1.00 0.00 C ATOM 195 C MET A 17 -7.402 6.661 6.792 1.00 0.00 C ATOM 196 O MET A 17 -7.598 5.449 6.892 1.00 0.00 O ATOM 197 CB MET A 17 -8.311 8.686 7.945 1.00 0.00 C ATOM 198 CG MET A 17 -8.147 9.727 9.040 1.00 0.00 C ATOM 199 SD MET A 17 -9.677 10.614 9.390 1.00 0.00 S ATOM 200 CE MET A 17 -10.108 11.206 7.755 1.00 0.00 C ATOM 0 H MET A 17 -5.892 9.085 8.194 1.00 0.00 H new ATOM 0 HA MET A 17 -7.529 6.930 8.908 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.211 9.173 6.975 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.319 8.275 7.994 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.798 9.239 9.950 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.377 10.440 8.745 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.527 12.209 7.830 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.215 11.231 7.130 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.844 10.538 7.309 1.00 0.00 H new ATOM 210 N ILE A 18 -7.266 7.278 5.623 1.00 0.00 N ATOM 211 CA ILE A 18 -7.341 6.550 4.362 1.00 0.00 C ATOM 212 C ILE A 18 -6.536 5.257 4.425 1.00 0.00 C ATOM 213 O ILE A 18 -7.045 4.179 4.117 1.00 0.00 O ATOM 214 CB ILE A 18 -6.829 7.404 3.187 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.650 8.689 3.067 1.00 0.00 C ATOM 216 CG2 ILE A 18 -6.886 6.610 1.891 1.00 0.00 C ATOM 217 CD1 ILE A 18 -6.867 9.856 2.506 1.00 0.00 C ATOM 0 H ILE A 18 -7.103 8.280 5.523 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.392 6.313 4.197 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.791 7.675 3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.513 8.501 2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.034 8.959 4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.521 7.227 1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.262 5.721 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.915 6.313 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.512 10.733 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.019 10.071 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.506 9.606 1.508 1.00 0.00 H new ATOM 229 N LEU A 19 -5.275 5.371 4.828 1.00 0.00 N ATOM 230 CA LEU A 19 -4.397 4.210 4.934 1.00 0.00 C ATOM 231 C LEU A 19 -5.054 3.104 5.753 1.00 0.00 C ATOM 232 O LEU A 19 -5.081 1.944 5.342 1.00 0.00 O ATOM 233 CB LEU A 19 -3.065 4.610 5.571 1.00 0.00 C ATOM 234 CG LEU A 19 -2.061 3.479 5.792 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.564 2.938 4.460 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.895 3.960 6.644 1.00 0.00 C ATOM 0 H LEU A 19 -4.837 6.255 5.087 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.213 3.831 3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.597 5.367 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.271 5.079 6.533 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.564 2.671 6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.850 2.134 4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.407 2.555 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.078 3.738 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.190 3.142 6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.393 4.786 6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.266 4.297 7.612 1.00 0.00 H new ATOM 248 N THR A 20 -5.586 3.471 6.915 1.00 0.00 N ATOM 249 CA THR A 20 -6.244 2.511 7.792 1.00 0.00 C ATOM 250 C THR A 20 -7.359 1.773 7.061 1.00 0.00 C ATOM 251 O THR A 20 -7.316 0.552 6.915 1.00 0.00 O ATOM 252 CB THR A 20 -6.830 3.199 9.039 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.784 3.819 9.794 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.567 2.196 9.914 1.00 0.00 C ATOM 0 H THR A 20 -5.574 4.427 7.270 1.00 0.00 H new ATOM 0 HA THR A 20 -5.483 1.796 8.105 1.00 0.00 H new ATOM 0 HB THR A 20 -7.538 3.959 8.708 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.461 4.611 9.316 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.972 2.705 10.789 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.381 1.747 9.346 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.876 1.417 10.235 1.00 0.00 H new ATOM 262 N GLU A 21 -8.357 2.523 6.602 1.00 0.00 N ATOM 263 CA GLU A 21 -9.484 1.938 5.886 1.00 0.00 C ATOM 264 C GLU A 21 -9.003 0.933 4.842 1.00 0.00 C ATOM 265 O GLU A 21 -9.463 -0.207 4.806 1.00 0.00 O ATOM 266 CB GLU A 21 -10.312 3.034 5.211 1.00 0.00 C ATOM 267 CG GLU A 21 -10.847 4.075 6.180 1.00 0.00 C ATOM 268 CD GLU A 21 -11.938 3.529 7.080 1.00 0.00 C ATOM 269 OE1 GLU A 21 -11.624 2.695 7.955 1.00 0.00 O ATOM 270 OE2 GLU A 21 -13.106 3.936 6.910 1.00 0.00 O ATOM 0 H GLU A 21 -8.407 3.536 6.713 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.109 1.414 6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.698 3.531 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.149 2.574 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.028 4.449 6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.236 4.923 5.617 1.00 0.00 H new ATOM 277 N MET A 22 -8.076 1.368 3.995 1.00 0.00 N ATOM 278 CA MET A 22 -7.532 0.507 2.951 1.00 0.00 C ATOM 279 C MET A 22 -6.836 -0.709 3.556 1.00 0.00 C ATOM 280 O MET A 22 -6.991 -1.828 3.070 1.00 0.00 O ATOM 281 CB MET A 22 -6.550 1.288 2.076 1.00 0.00 C ATOM 282 CG MET A 22 -7.185 2.465 1.353 1.00 0.00 C ATOM 283 SD MET A 22 -6.322 2.890 -0.172 1.00 0.00 S ATOM 284 CE MET A 22 -4.661 3.161 0.442 1.00 0.00 C ATOM 0 H MET A 22 -7.686 2.310 4.011 1.00 0.00 H new ATOM 0 HA MET A 22 -8.360 0.160 2.334 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.732 1.652 2.698 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.114 0.612 1.340 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.224 2.228 1.124 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.194 3.331 2.015 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.023 3.501 -0.373 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.682 3.917 1.227 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.266 2.229 0.847 1.00 0.00 H new ATOM 294 N GLU A 23 -6.070 -0.479 4.618 1.00 0.00 N ATOM 295 CA GLU A 23 -5.351 -1.556 5.287 1.00 0.00 C ATOM 296 C GLU A 23 -6.314 -2.634 5.774 1.00 0.00 C ATOM 297 O GLU A 23 -5.931 -3.790 5.957 1.00 0.00 O ATOM 298 CB GLU A 23 -4.545 -1.006 6.466 1.00 0.00 C ATOM 299 CG GLU A 23 -3.194 -0.437 6.068 1.00 0.00 C ATOM 300 CD GLU A 23 -2.178 -0.507 7.191 1.00 0.00 C ATOM 301 OE1 GLU A 23 -2.494 -0.045 8.307 1.00 0.00 O ATOM 302 OE2 GLU A 23 -1.066 -1.023 6.954 1.00 0.00 O ATOM 0 H GLU A 23 -5.932 0.443 5.033 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.667 -2.004 4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.126 -0.228 6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.394 -1.802 7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.814 -0.983 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.318 0.601 5.759 1.00 0.00 H new ATOM 309 N THR A 24 -7.569 -2.247 5.984 1.00 0.00 N ATOM 310 CA THR A 24 -8.588 -3.178 6.451 1.00 0.00 C ATOM 311 C THR A 24 -9.419 -3.712 5.290 1.00 0.00 C ATOM 312 O THR A 24 -10.582 -4.080 5.463 1.00 0.00 O ATOM 313 CB THR A 24 -9.526 -2.515 7.478 1.00 0.00 C ATOM 314 OG1 THR A 24 -10.194 -1.398 6.881 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.750 -2.054 8.702 1.00 0.00 C ATOM 0 H THR A 24 -7.903 -1.295 5.838 1.00 0.00 H new ATOM 0 HA THR A 24 -8.065 -4.006 6.930 1.00 0.00 H new ATOM 0 HB THR A 24 -10.264 -3.253 7.793 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.816 -1.227 5.993 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.434 -1.589 9.412 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.267 -2.911 9.171 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.992 -1.330 8.401 1.00 0.00 H new ATOM 323 N HIS A 25 -8.816 -3.752 4.106 1.00 0.00 N ATOM 324 CA HIS A 25 -9.502 -4.243 2.916 1.00 0.00 C ATOM 325 C HIS A 25 -9.151 -5.704 2.651 1.00 0.00 C ATOM 326 O HIS A 25 -8.028 -6.138 2.905 1.00 0.00 O ATOM 327 CB HIS A 25 -9.134 -3.390 1.702 1.00 0.00 C ATOM 328 CG HIS A 25 -10.221 -3.310 0.675 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.211 -4.046 -0.491 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.357 -2.575 0.644 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.293 -3.767 -1.195 1.00 0.00 C ATOM 332 NE2 HIS A 25 -12.006 -2.877 -0.528 1.00 0.00 N ATOM 0 H HIS A 25 -7.855 -3.451 3.945 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.576 -4.171 3.089 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.887 -2.383 2.037 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.237 -3.800 1.238 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.691 -1.880 1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.551 -4.194 -2.153 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.894 -2.479 -0.834 1.00 0.00 H new ATOM 340 N GLU A 26 -10.120 -6.457 2.139 1.00 0.00 N ATOM 341 CA GLU A 26 -9.913 -7.869 1.841 1.00 0.00 C ATOM 342 C GLU A 26 -8.884 -8.046 0.728 1.00 0.00 C ATOM 343 O GLU A 26 -8.399 -9.151 0.486 1.00 0.00 O ATOM 344 CB GLU A 26 -11.234 -8.528 1.438 1.00 0.00 C ATOM 345 CG GLU A 26 -11.826 -7.969 0.155 1.00 0.00 C ATOM 346 CD GLU A 26 -12.817 -8.918 -0.491 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.457 -9.698 0.245 1.00 0.00 O ATOM 348 OE2 GLU A 26 -12.953 -8.880 -1.732 1.00 0.00 O ATOM 0 H GLU A 26 -11.055 -6.113 1.922 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.535 -8.351 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.074 -9.599 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.955 -8.402 2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.322 -7.023 0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.022 -7.755 -0.549 1.00 0.00 H new ATOM 355 N ASP A 27 -8.557 -6.949 0.054 1.00 0.00 N ATOM 356 CA ASP A 27 -7.586 -6.981 -1.033 1.00 0.00 C ATOM 357 C ASP A 27 -6.478 -5.957 -0.803 1.00 0.00 C ATOM 358 O ASP A 27 -5.927 -5.400 -1.752 1.00 0.00 O ATOM 359 CB ASP A 27 -8.277 -6.711 -2.371 1.00 0.00 C ATOM 360 CG ASP A 27 -8.897 -7.960 -2.965 1.00 0.00 C ATOM 361 OD1 ASP A 27 -8.266 -9.035 -2.879 1.00 0.00 O ATOM 362 OD2 ASP A 27 -10.013 -7.864 -3.515 1.00 0.00 O ATOM 0 H ASP A 27 -8.950 -6.027 0.241 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.138 -7.975 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.051 -5.956 -2.231 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.553 -6.299 -3.074 1.00 0.00 H new ATOM 367 N ALA A 28 -6.158 -5.714 0.464 1.00 0.00 N ATOM 368 CA ALA A 28 -5.116 -4.759 0.818 1.00 0.00 C ATOM 369 C ALA A 28 -3.975 -5.443 1.565 1.00 0.00 C ATOM 370 O ALA A 28 -2.991 -4.802 1.934 1.00 0.00 O ATOM 371 CB ALA A 28 -5.698 -3.631 1.658 1.00 0.00 C ATOM 0 H ALA A 28 -6.606 -6.165 1.262 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.712 -4.340 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.909 -2.925 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.474 -3.117 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.129 -4.042 2.571 1.00 0.00 H new ATOM 377 N TRP A 29 -4.115 -6.745 1.785 1.00 0.00 N ATOM 378 CA TRP A 29 -3.096 -7.515 2.489 1.00 0.00 C ATOM 379 C TRP A 29 -1.888 -7.765 1.594 1.00 0.00 C ATOM 380 O TRP A 29 -0.752 -7.875 2.054 1.00 0.00 O ATOM 381 CB TRP A 29 -3.675 -8.846 2.970 1.00 0.00 C ATOM 382 CG TRP A 29 -4.015 -9.785 1.852 1.00 0.00 C ATOM 383 CD1 TRP A 29 -5.264 -10.105 1.403 1.00 0.00 C ATOM 384 CD2 TRP A 29 -3.093 -10.524 1.044 1.00 0.00 C ATOM 385 NE1 TRP A 29 -5.174 -11.000 0.364 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.853 -11.273 0.124 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.700 -10.626 1.007 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -3.265 -12.111 -0.820 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -1.118 -11.459 0.070 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.899 -12.191 -0.833 1.00 0.00 C ATOM 0 H TRP A 29 -4.924 -7.290 1.486 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.770 -6.936 3.353 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.957 -9.328 3.634 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.572 -8.652 3.558 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.186 -9.713 1.805 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.963 -11.397 -0.146 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.089 -10.064 1.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.865 -12.677 -1.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.042 -11.547 0.034 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.413 -12.832 -1.554 1.00 0.00 H new ATOM 401 N PRO A 30 -2.134 -7.859 0.279 1.00 0.00 N ATOM 402 CA PRO A 30 -0.997 -8.100 -0.614 1.00 0.00 C ATOM 403 C PRO A 30 0.175 -7.168 -0.324 1.00 0.00 C ATOM 404 O PRO A 30 1.308 -7.436 -0.724 1.00 0.00 O ATOM 405 CB PRO A 30 -1.572 -7.819 -2.005 1.00 0.00 C ATOM 406 CG PRO A 30 -3.033 -8.080 -1.870 1.00 0.00 C ATOM 407 CD PRO A 30 -3.406 -7.758 -0.455 1.00 0.00 C ATOM 0 HA PRO A 30 -0.595 -9.107 -0.500 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.380 -6.791 -2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.122 -8.466 -2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.601 -7.465 -2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.262 -9.120 -2.102 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.836 -6.760 -0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.147 -8.458 -0.068 1.00 0.00 H new ATOM 415 N PHE A 31 -0.105 -6.072 0.373 1.00 0.00 N ATOM 416 CA PHE A 31 0.926 -5.100 0.716 1.00 0.00 C ATOM 417 C PHE A 31 1.144 -5.048 2.226 1.00 0.00 C ATOM 418 O PHE A 31 2.249 -4.774 2.696 1.00 0.00 O ATOM 419 CB PHE A 31 0.542 -3.713 0.197 1.00 0.00 C ATOM 420 CG PHE A 31 -0.295 -3.750 -1.050 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.676 -3.814 -0.971 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.300 -3.720 -2.301 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.449 -3.849 -2.116 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.467 -3.755 -3.450 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.843 -3.818 -3.357 1.00 0.00 C ATOM 0 H PHE A 31 -1.038 -5.835 0.711 1.00 0.00 H new ATOM 0 HA PHE A 31 1.857 -5.413 0.243 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.004 -3.181 0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.450 -3.144 -0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.155 -3.837 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.376 -3.669 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.525 -3.901 -2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.009 -3.733 -4.419 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.445 -3.843 -4.253 1.00 0.00 H new ATOM 435 N LEU A 32 0.083 -5.312 2.980 1.00 0.00 N ATOM 436 CA LEU A 32 0.157 -5.295 4.437 1.00 0.00 C ATOM 437 C LEU A 32 1.482 -5.873 4.922 1.00 0.00 C ATOM 438 O LEU A 32 1.963 -5.530 6.002 1.00 0.00 O ATOM 439 CB LEU A 32 -1.008 -6.086 5.035 1.00 0.00 C ATOM 440 CG LEU A 32 -2.354 -5.362 5.088 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.426 -6.271 5.670 1.00 0.00 C ATOM 442 CD2 LEU A 32 -2.239 -4.081 5.901 1.00 0.00 C ATOM 0 H LEU A 32 -0.839 -5.540 2.607 1.00 0.00 H new ATOM 0 HA LEU A 32 0.092 -4.258 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.133 -7.002 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.737 -6.382 6.048 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.643 -5.098 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.377 -5.739 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.527 -7.160 5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.143 -6.566 6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.206 -3.579 5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.927 -4.322 6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.502 -3.423 5.441 1.00 0.00 H new ATOM 454 N LEU A 33 2.068 -6.752 4.116 1.00 0.00 N ATOM 455 CA LEU A 33 3.340 -7.377 4.462 1.00 0.00 C ATOM 456 C LEU A 33 4.367 -7.171 3.353 1.00 0.00 C ATOM 457 O LEU A 33 4.037 -7.128 2.168 1.00 0.00 O ATOM 458 CB LEU A 33 3.143 -8.872 4.718 1.00 0.00 C ATOM 459 CG LEU A 33 2.460 -9.243 6.035 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.083 -10.716 6.045 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.362 -8.913 7.215 1.00 0.00 C ATOM 0 H LEU A 33 1.683 -7.048 3.219 1.00 0.00 H new ATOM 0 HA LEU A 33 3.713 -6.905 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.556 -9.286 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.119 -9.357 4.689 1.00 0.00 H new ATOM 0 HG LEU A 33 1.547 -8.655 6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.598 -10.961 6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.399 -10.922 5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.981 -11.322 5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.860 -9.184 8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.293 -9.473 7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.580 -7.845 7.219 1.00 0.00 H new ATOM 473 N PRO A 34 5.643 -7.042 3.745 1.00 0.00 N ATOM 474 CA PRO A 34 6.745 -6.841 2.799 1.00 0.00 C ATOM 475 C PRO A 34 7.026 -8.085 1.963 1.00 0.00 C ATOM 476 O PRO A 34 6.753 -9.207 2.390 1.00 0.00 O ATOM 477 CB PRO A 34 7.938 -6.526 3.706 1.00 0.00 C ATOM 478 CG PRO A 34 7.604 -7.170 5.008 1.00 0.00 C ATOM 479 CD PRO A 34 6.109 -7.082 5.141 1.00 0.00 C ATOM 0 HA PRO A 34 6.523 -6.057 2.075 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.865 -6.924 3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.076 -5.451 3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.937 -8.208 5.027 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.100 -6.661 5.834 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.702 -7.940 5.676 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.806 -6.191 5.691 1.00 0.00 H new ATOM 487 N VAL A 35 7.572 -7.878 0.769 1.00 0.00 N ATOM 488 CA VAL A 35 7.890 -8.984 -0.127 1.00 0.00 C ATOM 489 C VAL A 35 9.330 -9.447 0.062 1.00 0.00 C ATOM 490 O VAL A 35 10.273 -8.713 -0.234 1.00 0.00 O ATOM 491 CB VAL A 35 7.678 -8.590 -1.601 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.139 -9.708 -2.524 1.00 0.00 C ATOM 493 CG2 VAL A 35 6.219 -8.245 -1.856 1.00 0.00 C ATOM 0 H VAL A 35 7.803 -6.956 0.400 1.00 0.00 H new ATOM 0 HA VAL A 35 7.213 -9.800 0.124 1.00 0.00 H new ATOM 0 HB VAL A 35 8.279 -7.705 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.982 -9.412 -3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.199 -9.902 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.567 -10.612 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.088 -7.969 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.595 -9.109 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.926 -7.409 -1.221 1.00 0.00 H new ATOM 503 N ASN A 36 9.493 -10.670 0.555 1.00 0.00 N ATOM 504 CA ASN A 36 10.819 -11.232 0.784 1.00 0.00 C ATOM 505 C ASN A 36 11.613 -11.300 -0.517 1.00 0.00 C ATOM 506 O ASN A 36 11.306 -12.099 -1.403 1.00 0.00 O ATOM 507 CB ASN A 36 10.705 -12.628 1.399 1.00 0.00 C ATOM 508 CG ASN A 36 11.897 -12.975 2.271 1.00 0.00 C ATOM 509 OD1 ASN A 36 11.753 -13.616 3.312 1.00 0.00 O ATOM 510 ND2 ASN A 36 13.082 -12.551 1.848 1.00 0.00 N ATOM 0 H ASN A 36 8.723 -11.291 0.804 1.00 0.00 H new ATOM 0 HA ASN A 36 11.348 -10.579 1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.794 -12.687 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.614 -13.367 0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.920 -12.754 2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.154 -12.023 0.978 1.00 0.00 H new ATOM 517 N LEU A 37 12.635 -10.458 -0.625 1.00 0.00 N ATOM 518 CA LEU A 37 13.474 -10.423 -1.818 1.00 0.00 C ATOM 519 C LEU A 37 14.291 -11.705 -1.947 1.00 0.00 C ATOM 520 O LEU A 37 14.402 -12.277 -3.032 1.00 0.00 O ATOM 521 CB LEU A 37 14.408 -9.212 -1.773 1.00 0.00 C ATOM 522 CG LEU A 37 13.782 -7.899 -1.303 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.814 -6.783 -1.309 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.592 -7.532 -2.178 1.00 0.00 C ATOM 0 H LEU A 37 12.903 -9.791 0.099 1.00 0.00 H new ATOM 0 HA LEU A 37 12.823 -10.340 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.245 -9.448 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.820 -9.058 -2.771 1.00 0.00 H new ATOM 0 HG LEU A 37 13.428 -8.033 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.350 -5.856 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.634 -7.043 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.199 -6.649 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.159 -6.595 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.921 -7.417 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.842 -8.321 -2.122 1.00 0.00 H new ATOM 536 N LYS A 38 14.860 -12.153 -0.833 1.00 0.00 N ATOM 537 CA LYS A 38 15.664 -13.369 -0.819 1.00 0.00 C ATOM 538 C LYS A 38 14.870 -14.552 -1.363 1.00 0.00 C ATOM 539 O LYS A 38 15.386 -15.353 -2.143 1.00 0.00 O ATOM 540 CB LYS A 38 16.142 -13.672 0.603 1.00 0.00 C ATOM 541 CG LYS A 38 17.334 -12.836 1.035 1.00 0.00 C ATOM 542 CD LYS A 38 17.459 -12.784 2.549 1.00 0.00 C ATOM 543 CE LYS A 38 18.092 -14.053 3.099 1.00 0.00 C ATOM 544 NZ LYS A 38 19.554 -14.110 2.820 1.00 0.00 N ATOM 0 H LYS A 38 14.779 -11.691 0.073 1.00 0.00 H new ATOM 0 HA LYS A 38 16.530 -13.210 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.319 -13.503 1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.405 -14.728 0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 38 18.246 -13.253 0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.232 -11.824 0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 38 18.061 -11.922 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.473 -12.646 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.925 -14.105 4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.604 -14.923 2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.984 -14.876 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 19.707 -14.290 1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 19.993 -13.204 3.080 1.00 0.00 H new ATOM 558 N LEU A 39 13.612 -14.656 -0.947 1.00 0.00 N ATOM 559 CA LEU A 39 12.746 -15.742 -1.394 1.00 0.00 C ATOM 560 C LEU A 39 12.356 -15.559 -2.857 1.00 0.00 C ATOM 561 O LEU A 39 12.651 -16.407 -3.700 1.00 0.00 O ATOM 562 CB LEU A 39 11.490 -15.809 -0.523 1.00 0.00 C ATOM 563 CG LEU A 39 11.723 -15.934 0.983 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.399 -15.912 1.731 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.495 -17.207 1.299 1.00 0.00 C ATOM 0 H LEU A 39 13.169 -14.002 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 39 13.297 -16.678 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.897 -14.912 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.891 -16.659 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 39 12.317 -15.081 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.584 -16.002 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.883 -14.973 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.780 -16.745 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.652 -17.280 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.927 -18.072 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.460 -17.183 0.793 1.00 0.00 H new ATOM 577 N VAL A 40 11.691 -14.447 -3.153 1.00 0.00 N ATOM 578 CA VAL A 40 11.263 -14.151 -4.515 1.00 0.00 C ATOM 579 C VAL A 40 12.461 -13.938 -5.433 1.00 0.00 C ATOM 580 O VAL A 40 13.447 -13.296 -5.070 1.00 0.00 O ATOM 581 CB VAL A 40 10.366 -12.900 -4.562 1.00 0.00 C ATOM 582 CG1 VAL A 40 9.959 -12.588 -5.994 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.140 -13.091 -3.680 1.00 0.00 C ATOM 0 H VAL A 40 11.437 -13.736 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 40 10.692 -15.012 -4.861 1.00 0.00 H new ATOM 0 HB VAL A 40 10.934 -12.052 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.326 -11.701 -6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.850 -12.406 -6.594 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.409 -13.433 -6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.517 -12.198 -3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.569 -13.950 -4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.455 -13.262 -2.651 1.00 0.00 H new ATOM 593 N PRO A 41 12.376 -14.489 -6.653 1.00 0.00 N ATOM 594 CA PRO A 41 13.445 -14.372 -7.650 1.00 0.00 C ATOM 595 C PRO A 41 13.578 -12.953 -8.193 1.00 0.00 C ATOM 596 O PRO A 41 12.719 -12.478 -8.934 1.00 0.00 O ATOM 597 CB PRO A 41 13.001 -15.329 -8.759 1.00 0.00 C ATOM 598 CG PRO A 41 11.519 -15.406 -8.623 1.00 0.00 C ATOM 599 CD PRO A 41 11.231 -15.267 -7.153 1.00 0.00 C ATOM 0 HA PRO A 41 14.423 -14.608 -7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.289 -14.957 -9.742 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.461 -16.310 -8.642 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.033 -14.614 -9.193 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.140 -16.353 -9.007 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.287 -14.752 -6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.161 -16.238 -6.664 1.00 0.00 H new ATOM 607 N GLY A 42 14.663 -12.281 -7.819 1.00 0.00 N ATOM 608 CA GLY A 42 14.890 -10.923 -8.278 1.00 0.00 C ATOM 609 C GLY A 42 13.626 -10.087 -8.260 1.00 0.00 C ATOM 610 O GLY A 42 13.055 -9.789 -9.310 1.00 0.00 O ATOM 0 H GLY A 42 15.389 -12.653 -7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.643 -10.451 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.292 -10.947 -9.291 1.00 0.00 H new ATOM 614 N TYR A 43 13.186 -9.708 -7.065 1.00 0.00 N ATOM 615 CA TYR A 43 11.979 -8.905 -6.914 1.00 0.00 C ATOM 616 C TYR A 43 12.279 -7.425 -7.133 1.00 0.00 C ATOM 617 O TYR A 43 11.465 -6.690 -7.693 1.00 0.00 O ATOM 618 CB TYR A 43 11.372 -9.114 -5.526 1.00 0.00 C ATOM 619 CG TYR A 43 10.132 -8.285 -5.276 1.00 0.00 C ATOM 620 CD1 TYR A 43 8.901 -8.667 -5.795 1.00 0.00 C ATOM 621 CD2 TYR A 43 10.192 -7.121 -4.520 1.00 0.00 C ATOM 622 CE1 TYR A 43 7.766 -7.912 -5.569 1.00 0.00 C ATOM 623 CE2 TYR A 43 9.062 -6.361 -4.288 1.00 0.00 C ATOM 624 CZ TYR A 43 7.851 -6.760 -4.815 1.00 0.00 C ATOM 625 OH TYR A 43 6.723 -6.007 -4.587 1.00 0.00 O ATOM 0 H TYR A 43 13.648 -9.944 -6.187 1.00 0.00 H new ATOM 0 HA TYR A 43 11.262 -9.228 -7.669 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.125 -10.168 -5.402 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.120 -8.871 -4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.830 -9.569 -6.385 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.138 -6.805 -4.107 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.817 -8.222 -5.981 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.126 -5.459 -3.697 1.00 0.00 H new ATOM 0 HH TYR A 43 6.954 -5.229 -4.038 1.00 0.00 H new ATOM 635 N LYS A 44 13.453 -6.994 -6.686 1.00 0.00 N ATOM 636 CA LYS A 44 13.865 -5.603 -6.832 1.00 0.00 C ATOM 637 C LYS A 44 14.082 -5.252 -8.301 1.00 0.00 C ATOM 638 O LYS A 44 13.534 -4.270 -8.803 1.00 0.00 O ATOM 639 CB LYS A 44 15.147 -5.342 -6.039 1.00 0.00 C ATOM 640 CG LYS A 44 14.927 -5.248 -4.540 1.00 0.00 C ATOM 641 CD LYS A 44 16.184 -4.793 -3.818 1.00 0.00 C ATOM 642 CE LYS A 44 16.480 -3.325 -4.086 1.00 0.00 C ATOM 643 NZ LYS A 44 17.357 -2.736 -3.036 1.00 0.00 N ATOM 0 H LYS A 44 14.137 -7.589 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 44 13.068 -4.971 -6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.860 -6.141 -6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.599 -4.414 -6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.115 -4.550 -4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.617 -6.220 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.067 -4.952 -2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.030 -5.401 -4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.960 -3.223 -5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.544 -2.768 -4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.536 -1.735 -3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.888 -2.810 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.260 -3.251 -3.009 1.00 0.00 H new ATOM 657 N LYS A 45 14.884 -6.060 -8.985 1.00 0.00 N ATOM 658 CA LYS A 45 15.173 -5.837 -10.397 1.00 0.00 C ATOM 659 C LYS A 45 13.949 -5.285 -11.121 1.00 0.00 C ATOM 660 O LYS A 45 14.027 -4.261 -11.800 1.00 0.00 O ATOM 661 CB LYS A 45 15.625 -7.141 -11.058 1.00 0.00 C ATOM 662 CG LYS A 45 17.127 -7.359 -11.009 1.00 0.00 C ATOM 663 CD LYS A 45 17.816 -6.776 -12.232 1.00 0.00 C ATOM 664 CE LYS A 45 17.922 -5.261 -12.143 1.00 0.00 C ATOM 665 NZ LYS A 45 18.754 -4.698 -13.242 1.00 0.00 N ATOM 0 H LYS A 45 15.346 -6.876 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 45 15.977 -5.104 -10.467 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.129 -7.978 -10.567 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.300 -7.143 -12.098 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.533 -6.899 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.339 -8.426 -10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 45 18.813 -7.206 -12.329 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.261 -7.051 -13.129 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.924 -4.824 -12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.354 -4.983 -11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.802 -3.664 -13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.714 -5.095 -13.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.328 -4.941 -14.159 1.00 0.00 H new ATOM 679 N VAL A 46 12.819 -5.969 -10.972 1.00 0.00 N ATOM 680 CA VAL A 46 11.579 -5.545 -11.610 1.00 0.00 C ATOM 681 C VAL A 46 10.946 -4.379 -10.859 1.00 0.00 C ATOM 682 O VAL A 46 10.453 -3.429 -11.470 1.00 0.00 O ATOM 683 CB VAL A 46 10.565 -6.702 -11.688 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.225 -6.203 -12.209 1.00 0.00 C ATOM 685 CG2 VAL A 46 11.103 -7.823 -12.565 1.00 0.00 C ATOM 0 H VAL A 46 12.737 -6.819 -10.415 1.00 0.00 H new ATOM 0 HA VAL A 46 11.835 -5.227 -12.621 1.00 0.00 H new ATOM 0 HB VAL A 46 10.413 -7.098 -10.684 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.521 -7.034 -12.257 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.836 -5.437 -11.538 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.356 -5.780 -13.205 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.374 -8.632 -12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.285 -7.443 -13.570 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.036 -8.198 -12.145 1.00 0.00 H new ATOM 695 N ILE A 47 10.963 -4.456 -9.533 1.00 0.00 N ATOM 696 CA ILE A 47 10.392 -3.406 -8.699 1.00 0.00 C ATOM 697 C ILE A 47 11.436 -2.350 -8.353 1.00 0.00 C ATOM 698 O ILE A 47 12.303 -2.572 -7.508 1.00 0.00 O ATOM 699 CB ILE A 47 9.805 -3.979 -7.396 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.675 -4.962 -7.708 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.304 -2.854 -6.501 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.496 -4.324 -8.410 1.00 0.00 C ATOM 0 H ILE A 47 11.366 -5.235 -9.013 1.00 0.00 H new ATOM 0 HA ILE A 47 9.591 -2.945 -9.276 1.00 0.00 H new ATOM 0 HB ILE A 47 10.592 -4.516 -6.866 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.066 -5.767 -8.330 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.332 -5.416 -6.778 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.892 -3.275 -5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.132 -2.189 -6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.529 -2.292 -7.022 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.733 -5.079 -8.600 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.079 -3.538 -7.780 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.825 -3.895 -9.356 1.00 0.00 H new ATOM 714 N LYS A 48 11.346 -1.199 -9.010 1.00 0.00 N ATOM 715 CA LYS A 48 12.281 -0.106 -8.771 1.00 0.00 C ATOM 716 C LYS A 48 12.191 0.381 -7.328 1.00 0.00 C ATOM 717 O LYS A 48 13.209 0.604 -6.673 1.00 0.00 O ATOM 718 CB LYS A 48 11.998 1.053 -9.730 1.00 0.00 C ATOM 719 CG LYS A 48 12.178 0.689 -11.193 1.00 0.00 C ATOM 720 CD LYS A 48 13.636 0.421 -11.527 1.00 0.00 C ATOM 721 CE LYS A 48 13.897 0.539 -13.021 1.00 0.00 C ATOM 722 NZ LYS A 48 15.169 -0.127 -13.416 1.00 0.00 N ATOM 0 H LYS A 48 10.634 -0.999 -9.713 1.00 0.00 H new ATOM 0 HA LYS A 48 13.290 -0.478 -8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.977 1.402 -9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.660 1.884 -9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.583 -0.194 -11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.804 1.499 -11.819 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.269 1.127 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.911 -0.577 -11.186 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.068 0.094 -13.571 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.936 1.592 -13.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.311 -0.024 -14.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.964 0.315 -12.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.122 -1.137 -13.172 1.00 0.00 H new ATOM 736 N LYS A 49 10.966 0.541 -6.838 1.00 0.00 N ATOM 737 CA LYS A 49 10.742 0.999 -5.472 1.00 0.00 C ATOM 738 C LYS A 49 9.705 0.128 -4.770 1.00 0.00 C ATOM 739 O LYS A 49 8.503 0.387 -4.824 1.00 0.00 O ATOM 740 CB LYS A 49 10.284 2.459 -5.469 1.00 0.00 C ATOM 741 CG LYS A 49 11.429 3.455 -5.408 1.00 0.00 C ATOM 742 CD LYS A 49 10.929 4.863 -5.127 1.00 0.00 C ATOM 743 CE LYS A 49 10.737 5.099 -3.637 1.00 0.00 C ATOM 744 NZ LYS A 49 12.036 5.278 -2.932 1.00 0.00 N ATOM 0 H LYS A 49 10.113 0.360 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 49 11.684 0.920 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.696 2.649 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.625 2.623 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.132 3.156 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.974 3.443 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.640 5.588 -5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.985 5.026 -5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.117 5.983 -3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.201 4.256 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.863 5.635 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.531 4.365 -2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.623 5.960 -3.454 1.00 0.00 H new ATOM 758 N PRO A 50 10.178 -0.929 -4.093 1.00 0.00 N ATOM 759 CA PRO A 50 9.308 -1.857 -3.365 1.00 0.00 C ATOM 760 C PRO A 50 8.686 -1.219 -2.128 1.00 0.00 C ATOM 761 O PRO A 50 9.312 -1.154 -1.071 1.00 0.00 O ATOM 762 CB PRO A 50 10.256 -2.990 -2.964 1.00 0.00 C ATOM 763 CG PRO A 50 11.604 -2.359 -2.919 1.00 0.00 C ATOM 764 CD PRO A 50 11.600 -1.298 -3.985 1.00 0.00 C ATOM 0 HA PRO A 50 8.463 -2.184 -3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.983 -3.410 -1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.225 -3.806 -3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.800 -1.926 -1.938 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.386 -3.095 -3.104 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.217 -0.444 -3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.990 -1.676 -4.930 1.00 0.00 H new ATOM 772 N MET A 51 7.450 -0.751 -2.268 1.00 0.00 N ATOM 773 CA MET A 51 6.743 -0.120 -1.159 1.00 0.00 C ATOM 774 C MET A 51 5.728 -1.079 -0.546 1.00 0.00 C ATOM 775 O MET A 51 5.426 -2.127 -1.117 1.00 0.00 O ATOM 776 CB MET A 51 6.037 1.152 -1.635 1.00 0.00 C ATOM 777 CG MET A 51 5.510 2.015 -0.500 1.00 0.00 C ATOM 778 SD MET A 51 6.764 2.364 0.748 1.00 0.00 S ATOM 779 CE MET A 51 8.021 3.160 -0.249 1.00 0.00 C ATOM 0 H MET A 51 6.918 -0.797 -3.137 1.00 0.00 H new ATOM 0 HA MET A 51 7.475 0.143 -0.396 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.731 1.740 -2.236 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.207 0.876 -2.286 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.136 2.955 -0.907 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.665 1.513 -0.029 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.762 3.624 0.402 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.508 2.418 -0.882 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.559 3.924 -0.875 1.00 0.00 H new ATOM 789 N ASP A 52 5.204 -0.713 0.619 1.00 0.00 N ATOM 790 CA ASP A 52 4.222 -1.541 1.310 1.00 0.00 C ATOM 791 C ASP A 52 3.572 -0.772 2.455 1.00 0.00 C ATOM 792 O ASP A 52 4.196 0.096 3.067 1.00 0.00 O ATOM 793 CB ASP A 52 4.882 -2.814 1.844 1.00 0.00 C ATOM 794 CG ASP A 52 6.163 -2.527 2.602 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.040 -1.836 2.044 1.00 0.00 O ATOM 796 OD2 ASP A 52 6.289 -2.996 3.753 1.00 0.00 O ATOM 0 H ASP A 52 5.443 0.152 1.105 1.00 0.00 H new ATOM 0 HA ASP A 52 3.447 -1.815 0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.184 -3.334 2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.098 -3.484 1.012 1.00 0.00 H new ATOM 801 N PHE A 53 2.314 -1.094 2.739 1.00 0.00 N ATOM 802 CA PHE A 53 1.578 -0.432 3.809 1.00 0.00 C ATOM 803 C PHE A 53 2.339 -0.521 5.129 1.00 0.00 C ATOM 804 O PHE A 53 2.489 0.473 5.840 1.00 0.00 O ATOM 805 CB PHE A 53 0.190 -1.056 3.965 1.00 0.00 C ATOM 806 CG PHE A 53 -0.759 -0.690 2.860 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.883 0.626 2.443 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.527 -1.661 2.238 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.756 0.966 1.427 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.402 -1.327 1.221 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.516 -0.012 0.815 1.00 0.00 C ATOM 0 H PHE A 53 1.783 -1.810 2.243 1.00 0.00 H new ATOM 0 HA PHE A 53 1.468 0.619 3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.290 -2.141 4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.236 -0.742 4.918 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.291 1.394 2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.441 -2.691 2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.844 1.995 1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.995 -2.093 0.745 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.198 0.251 0.020 1.00 0.00 H new ATOM 821 N SER A 54 2.816 -1.719 5.450 1.00 0.00 N ATOM 822 CA SER A 54 3.558 -1.941 6.686 1.00 0.00 C ATOM 823 C SER A 54 4.640 -0.881 6.868 1.00 0.00 C ATOM 824 O SER A 54 4.888 -0.414 7.980 1.00 0.00 O ATOM 825 CB SER A 54 4.189 -3.335 6.684 1.00 0.00 C ATOM 826 OG SER A 54 5.110 -3.479 7.751 1.00 0.00 O ATOM 0 H SER A 54 2.702 -2.551 4.871 1.00 0.00 H new ATOM 0 HA SER A 54 2.858 -1.868 7.519 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.408 -4.091 6.769 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.697 -3.506 5.735 1.00 0.00 H new ATOM 0 HG SER A 54 5.498 -4.379 7.729 1.00 0.00 H new ATOM 832 N THR A 55 5.282 -0.504 5.766 1.00 0.00 N ATOM 833 CA THR A 55 6.338 0.500 5.802 1.00 0.00 C ATOM 834 C THR A 55 5.758 1.909 5.770 1.00 0.00 C ATOM 835 O THR A 55 6.021 2.719 6.660 1.00 0.00 O ATOM 836 CB THR A 55 7.313 0.332 4.622 1.00 0.00 C ATOM 837 OG1 THR A 55 7.948 -0.950 4.690 1.00 0.00 O ATOM 838 CG2 THR A 55 8.368 1.427 4.631 1.00 0.00 C ATOM 0 H THR A 55 5.089 -0.879 4.837 1.00 0.00 H new ATOM 0 HA THR A 55 6.881 0.354 6.736 1.00 0.00 H new ATOM 0 HB THR A 55 6.743 0.406 3.696 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.292 -1.651 4.493 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.045 1.287 3.788 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.883 2.400 4.549 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.933 1.380 5.562 1.00 0.00 H new ATOM 846 N ILE A 56 4.968 2.196 4.741 1.00 0.00 N ATOM 847 CA ILE A 56 4.350 3.508 4.596 1.00 0.00 C ATOM 848 C ILE A 56 3.880 4.047 5.943 1.00 0.00 C ATOM 849 O ILE A 56 3.996 5.241 6.220 1.00 0.00 O ATOM 850 CB ILE A 56 3.152 3.462 3.628 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.640 3.328 2.184 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.293 4.707 3.789 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.584 2.805 1.236 1.00 0.00 C ATOM 0 H ILE A 56 4.741 1.538 3.996 1.00 0.00 H new ATOM 0 HA ILE A 56 5.112 4.172 4.188 1.00 0.00 H new ATOM 0 HB ILE A 56 2.543 2.591 3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.982 4.301 1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.501 2.660 2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.451 4.660 3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.921 4.762 4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.891 5.592 3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.000 2.736 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.259 1.817 1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.732 3.484 1.230 1.00 0.00 H new ATOM 865 N ARG A 57 3.351 3.158 6.778 1.00 0.00 N ATOM 866 CA ARG A 57 2.864 3.544 8.097 1.00 0.00 C ATOM 867 C ARG A 57 4.007 4.053 8.970 1.00 0.00 C ATOM 868 O ARG A 57 4.017 5.213 9.381 1.00 0.00 O ATOM 869 CB ARG A 57 2.177 2.359 8.777 1.00 0.00 C ATOM 870 CG ARG A 57 1.523 2.713 10.102 1.00 0.00 C ATOM 871 CD ARG A 57 0.216 3.462 9.896 1.00 0.00 C ATOM 872 NE ARG A 57 0.411 4.910 9.888 1.00 0.00 N ATOM 873 CZ ARG A 57 0.510 5.644 10.990 1.00 0.00 C ATOM 874 NH1 ARG A 57 0.433 5.070 12.182 1.00 0.00 N ATOM 875 NH2 ARG A 57 0.687 6.956 10.901 1.00 0.00 N ATOM 0 H ARG A 57 3.249 2.166 6.564 1.00 0.00 H new ATOM 0 HA ARG A 57 2.141 4.349 7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.421 1.954 8.105 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.911 1.571 8.943 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.336 1.802 10.671 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.205 3.324 10.693 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.235 3.152 8.954 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.484 3.195 10.688 1.00 0.00 H new ATOM 0 HE ARG A 57 0.475 5.383 8.986 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.297 4.062 12.255 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.509 5.637 13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.747 7.402 9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.763 7.519 11.748 1.00 0.00 H new ATOM 889 N GLU A 58 4.967 3.177 9.250 1.00 0.00 N ATOM 890 CA GLU A 58 6.113 3.538 10.076 1.00 0.00 C ATOM 891 C GLU A 58 6.572 4.963 9.777 1.00 0.00 C ATOM 892 O GLU A 58 6.872 5.735 10.688 1.00 0.00 O ATOM 893 CB GLU A 58 7.267 2.560 9.843 1.00 0.00 C ATOM 894 CG GLU A 58 7.030 1.186 10.446 1.00 0.00 C ATOM 895 CD GLU A 58 6.617 1.251 11.903 1.00 0.00 C ATOM 896 OE1 GLU A 58 5.436 1.560 12.171 1.00 0.00 O ATOM 897 OE2 GLU A 58 7.472 0.994 12.775 1.00 0.00 O ATOM 0 H GLU A 58 4.974 2.213 8.917 1.00 0.00 H new ATOM 0 HA GLU A 58 5.806 3.485 11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.431 2.454 8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.180 2.981 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.256 0.672 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.940 0.592 10.356 1.00 0.00 H new ATOM 904 N LYS A 59 6.624 5.304 8.494 1.00 0.00 N ATOM 905 CA LYS A 59 7.044 6.635 8.073 1.00 0.00 C ATOM 906 C LYS A 59 5.938 7.658 8.315 1.00 0.00 C ATOM 907 O LYS A 59 6.146 8.662 8.997 1.00 0.00 O ATOM 908 CB LYS A 59 7.429 6.626 6.592 1.00 0.00 C ATOM 909 CG LYS A 59 8.524 5.628 6.254 1.00 0.00 C ATOM 910 CD LYS A 59 8.428 5.162 4.811 1.00 0.00 C ATOM 911 CE LYS A 59 8.828 6.263 3.841 1.00 0.00 C ATOM 912 NZ LYS A 59 10.289 6.245 3.553 1.00 0.00 N ATOM 0 H LYS A 59 6.380 4.677 7.728 1.00 0.00 H new ATOM 0 HA LYS A 59 7.913 6.919 8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.545 6.398 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.758 7.625 6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.499 6.084 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.452 4.768 6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.072 4.295 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.408 4.841 4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.273 6.146 2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.552 7.232 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.461 6.635 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.789 6.821 4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.639 5.266 3.593 1.00 0.00 H new ATOM 926 N LEU A 60 4.764 7.395 7.753 1.00 0.00 N ATOM 927 CA LEU A 60 3.624 8.292 7.910 1.00 0.00 C ATOM 928 C LEU A 60 3.596 8.899 9.309 1.00 0.00 C ATOM 929 O LEU A 60 3.666 10.117 9.469 1.00 0.00 O ATOM 930 CB LEU A 60 2.318 7.541 7.641 1.00 0.00 C ATOM 931 CG LEU A 60 1.182 8.366 7.035 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.124 7.588 7.078 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.038 9.693 7.766 1.00 0.00 C ATOM 0 H LEU A 60 4.576 6.569 7.185 1.00 0.00 H new ATOM 0 HA LEU A 60 3.727 9.100 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.532 6.708 6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.968 7.113 8.580 1.00 0.00 H new ATOM 0 HG LEU A 60 1.425 8.572 5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.921 8.191 6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.016 6.664 6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.372 7.351 8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.225 10.267 7.321 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.818 9.507 8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.967 10.257 7.684 1.00 0.00 H new ATOM 945 N SER A 61 3.496 8.041 10.319 1.00 0.00 N ATOM 946 CA SER A 61 3.458 8.492 11.705 1.00 0.00 C ATOM 947 C SER A 61 4.718 9.277 12.055 1.00 0.00 C ATOM 948 O SER A 61 4.651 10.327 12.695 1.00 0.00 O ATOM 949 CB SER A 61 3.308 7.297 12.648 1.00 0.00 C ATOM 950 OG SER A 61 4.473 6.489 12.637 1.00 0.00 O ATOM 0 H SER A 61 3.440 7.029 10.203 1.00 0.00 H new ATOM 0 HA SER A 61 2.597 9.150 11.824 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.117 7.651 13.661 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.445 6.701 12.350 1.00 0.00 H new ATOM 0 HG SER A 61 4.353 5.733 13.249 1.00 0.00 H new ATOM 956 N SER A 62 5.867 8.760 11.632 1.00 0.00 N ATOM 957 CA SER A 62 7.144 9.409 11.903 1.00 0.00 C ATOM 958 C SER A 62 7.173 10.817 11.317 1.00 0.00 C ATOM 959 O SER A 62 7.981 11.653 11.719 1.00 0.00 O ATOM 960 CB SER A 62 8.294 8.580 11.327 1.00 0.00 C ATOM 961 OG SER A 62 9.547 9.168 11.630 1.00 0.00 O ATOM 0 H SER A 62 5.940 7.893 11.100 1.00 0.00 H new ATOM 0 HA SER A 62 7.264 9.482 12.984 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.256 7.569 11.732 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.180 8.495 10.246 1.00 0.00 H new ATOM 0 HG SER A 62 10.266 8.619 11.253 1.00 0.00 H new ATOM 967 N GLY A 63 6.284 11.072 10.361 1.00 0.00 N ATOM 968 CA GLY A 63 6.224 12.379 9.734 1.00 0.00 C ATOM 969 C GLY A 63 7.270 12.551 8.651 1.00 0.00 C ATOM 970 O GLY A 63 7.898 13.604 8.547 1.00 0.00 O ATOM 0 H GLY A 63 5.605 10.397 10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.233 12.527 9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.361 13.149 10.493 1.00 0.00 H new ATOM 974 N GLN A 64 7.459 11.512 7.843 1.00 0.00 N ATOM 975 CA GLN A 64 8.439 11.553 6.764 1.00 0.00 C ATOM 976 C GLN A 64 7.858 12.229 5.526 1.00 0.00 C ATOM 977 O GLN A 64 8.593 12.648 4.632 1.00 0.00 O ATOM 978 CB GLN A 64 8.905 10.138 6.416 1.00 0.00 C ATOM 979 CG GLN A 64 9.485 9.380 7.599 1.00 0.00 C ATOM 980 CD GLN A 64 10.502 8.337 7.182 1.00 0.00 C ATOM 981 OE1 GLN A 64 10.682 8.069 5.994 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.175 7.741 8.160 1.00 0.00 N ATOM 0 H GLN A 64 6.947 10.633 7.915 1.00 0.00 H new ATOM 0 HA GLN A 64 9.294 12.136 7.106 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.063 9.576 6.013 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.656 10.195 5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.955 10.087 8.283 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.677 8.895 8.147 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.994 7.994 9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.873 7.031 7.940 1.00 0.00 H new ATOM 991 N TYR A 65 6.534 12.331 5.481 1.00 0.00 N ATOM 992 CA TYR A 65 5.854 12.953 4.351 1.00 0.00 C ATOM 993 C TYR A 65 5.604 14.435 4.614 1.00 0.00 C ATOM 994 O TYR A 65 4.824 14.813 5.488 1.00 0.00 O ATOM 995 CB TYR A 65 4.528 12.242 4.073 1.00 0.00 C ATOM 996 CG TYR A 65 4.681 10.765 3.789 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.387 10.320 2.678 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.118 9.814 4.631 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.529 8.972 2.415 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.256 8.463 4.376 1.00 0.00 C ATOM 1001 CZ TYR A 65 4.962 8.047 3.267 1.00 0.00 C ATOM 1002 OH TYR A 65 5.100 6.703 3.009 1.00 0.00 O ATOM 0 H TYR A 65 5.911 11.991 6.214 1.00 0.00 H new ATOM 0 HA TYR A 65 6.498 12.862 3.477 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.869 12.372 4.931 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.041 12.719 3.222 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.832 11.041 2.009 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.563 10.136 5.500 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.081 8.644 1.547 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.813 7.737 5.042 1.00 0.00 H new ATOM 0 HH TYR A 65 5.551 6.580 2.147 1.00 0.00 H new ATOM 1012 N PRO A 66 6.282 15.295 3.840 1.00 0.00 N ATOM 1013 CA PRO A 66 6.150 16.749 3.969 1.00 0.00 C ATOM 1014 C PRO A 66 4.788 17.251 3.503 1.00 0.00 C ATOM 1015 O PRO A 66 4.335 18.317 3.917 1.00 0.00 O ATOM 1016 CB PRO A 66 7.258 17.287 3.060 1.00 0.00 C ATOM 1017 CG PRO A 66 7.483 16.208 2.058 1.00 0.00 C ATOM 1018 CD PRO A 66 7.229 14.913 2.779 1.00 0.00 C ATOM 0 HA PRO A 66 6.233 17.076 5.006 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.958 18.218 2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.166 17.498 3.625 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.811 16.319 1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.500 16.244 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.806 14.159 2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.148 14.495 3.191 1.00 0.00 H new ATOM 1026 N ASN A 67 4.140 16.476 2.640 1.00 0.00 N ATOM 1027 CA ASN A 67 2.829 16.843 2.117 1.00 0.00 C ATOM 1028 C ASN A 67 2.051 15.605 1.681 1.00 0.00 C ATOM 1029 O ASN A 67 2.588 14.496 1.659 1.00 0.00 O ATOM 1030 CB ASN A 67 2.978 17.807 0.939 1.00 0.00 C ATOM 1031 CG ASN A 67 4.126 17.428 0.024 1.00 0.00 C ATOM 1032 OD1 ASN A 67 3.936 16.730 -0.973 1.00 0.00 O ATOM 1033 ND2 ASN A 67 5.326 17.888 0.358 1.00 0.00 N ATOM 0 H ASN A 67 4.501 15.590 2.288 1.00 0.00 H new ATOM 0 HA ASN A 67 2.273 17.337 2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.051 17.823 0.366 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.137 18.817 1.317 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.136 17.666 -0.220 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.437 18.463 1.193 1.00 0.00 H new ATOM 1040 N LEU A 68 0.784 15.801 1.334 1.00 0.00 N ATOM 1041 CA LEU A 68 -0.069 14.701 0.897 1.00 0.00 C ATOM 1042 C LEU A 68 0.485 14.052 -0.368 1.00 0.00 C ATOM 1043 O LEU A 68 0.494 12.828 -0.496 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.492 15.202 0.646 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.204 15.830 1.844 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.495 16.504 1.406 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.484 14.779 2.909 1.00 0.00 C ATOM 0 H LEU A 68 0.324 16.711 1.347 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.089 13.952 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.460 15.937 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.093 14.365 0.290 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.550 16.589 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.987 16.945 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.269 17.285 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.155 15.765 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.991 15.244 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.118 13.997 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.544 14.342 3.245 1.00 0.00 H new ATOM 1059 N GLU A 69 0.946 14.881 -1.299 1.00 0.00 N ATOM 1060 CA GLU A 69 1.503 14.387 -2.553 1.00 0.00 C ATOM 1061 C GLU A 69 2.438 13.208 -2.306 1.00 0.00 C ATOM 1062 O GLU A 69 2.154 12.079 -2.708 1.00 0.00 O ATOM 1063 CB GLU A 69 2.255 15.505 -3.279 1.00 0.00 C ATOM 1064 CG GLU A 69 2.584 15.178 -4.726 1.00 0.00 C ATOM 1065 CD GLU A 69 1.344 14.973 -5.574 1.00 0.00 C ATOM 1066 OE1 GLU A 69 0.835 15.968 -6.131 1.00 0.00 O ATOM 1067 OE2 GLU A 69 0.883 13.818 -5.681 1.00 0.00 O ATOM 0 H GLU A 69 0.945 15.897 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 69 0.677 14.049 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.655 16.414 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.181 15.716 -2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.180 15.986 -5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.196 14.277 -4.761 1.00 0.00 H new ATOM 1074 N THR A 70 3.557 13.477 -1.640 1.00 0.00 N ATOM 1075 CA THR A 70 4.536 12.439 -1.340 1.00 0.00 C ATOM 1076 C THR A 70 3.856 11.167 -0.847 1.00 0.00 C ATOM 1077 O THR A 70 4.088 10.081 -1.379 1.00 0.00 O ATOM 1078 CB THR A 70 5.547 12.911 -0.278 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.856 13.340 0.900 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.402 14.050 -0.814 1.00 0.00 C ATOM 0 H THR A 70 3.808 14.405 -1.298 1.00 0.00 H new ATOM 0 HA THR A 70 5.067 12.228 -2.268 1.00 0.00 H new ATOM 0 HB THR A 70 6.199 12.073 -0.031 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.050 13.835 0.644 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.108 14.367 -0.047 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.949 13.711 -1.694 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.761 14.889 -1.086 1.00 0.00 H new ATOM 1088 N PHE A 71 3.014 11.308 0.171 1.00 0.00 N ATOM 1089 CA PHE A 71 2.300 10.170 0.736 1.00 0.00 C ATOM 1090 C PHE A 71 1.560 9.397 -0.353 1.00 0.00 C ATOM 1091 O PHE A 71 1.648 8.172 -0.428 1.00 0.00 O ATOM 1092 CB PHE A 71 1.311 10.640 1.805 1.00 0.00 C ATOM 1093 CG PHE A 71 0.381 9.559 2.279 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.758 8.701 3.299 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -0.869 9.401 1.703 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.095 7.706 3.738 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.726 8.408 2.138 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.338 7.559 3.156 1.00 0.00 C ATOM 0 H PHE A 71 2.809 12.200 0.622 1.00 0.00 H new ATOM 0 HA PHE A 71 3.032 9.506 1.195 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.868 11.029 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.722 11.466 1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.730 8.811 3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.177 10.061 0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.211 7.045 4.535 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.699 8.296 1.682 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.006 6.781 3.496 1.00 0.00 H new ATOM 1108 N ALA A 72 0.830 10.124 -1.193 1.00 0.00 N ATOM 1109 CA ALA A 72 0.076 9.508 -2.278 1.00 0.00 C ATOM 1110 C ALA A 72 1.005 8.800 -3.259 1.00 0.00 C ATOM 1111 O ALA A 72 0.829 7.617 -3.553 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.758 10.555 -3.001 1.00 0.00 C ATOM 0 H ALA A 72 0.745 11.139 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.591 8.762 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.316 10.081 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.455 11.014 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.102 11.321 -3.414 1.00 0.00 H new ATOM 1118 N LEU A 73 1.993 9.531 -3.764 1.00 0.00 N ATOM 1119 CA LEU A 73 2.949 8.972 -4.714 1.00 0.00 C ATOM 1120 C LEU A 73 3.359 7.561 -4.307 1.00 0.00 C ATOM 1121 O LEU A 73 3.388 6.649 -5.134 1.00 0.00 O ATOM 1122 CB LEU A 73 4.186 9.868 -4.808 1.00 0.00 C ATOM 1123 CG LEU A 73 4.003 11.188 -5.557 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.168 12.125 -5.279 1.00 0.00 C ATOM 1125 CD2 LEU A 73 3.863 10.938 -7.052 1.00 0.00 C ATOM 0 H LEU A 73 2.153 10.511 -3.532 1.00 0.00 H new ATOM 0 HA LEU A 73 2.468 8.923 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.526 10.091 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.982 9.304 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 73 3.088 11.662 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.021 13.059 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.223 12.330 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.097 11.658 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.734 11.889 -7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.760 10.442 -7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.995 10.304 -7.235 1.00 0.00 H new ATOM 1137 N ASP A 74 3.673 7.387 -3.028 1.00 0.00 N ATOM 1138 CA ASP A 74 4.078 6.085 -2.510 1.00 0.00 C ATOM 1139 C ASP A 74 2.916 5.097 -2.553 1.00 0.00 C ATOM 1140 O ASP A 74 3.042 3.997 -3.091 1.00 0.00 O ATOM 1141 CB ASP A 74 4.595 6.221 -1.077 1.00 0.00 C ATOM 1142 CG ASP A 74 6.082 6.510 -1.023 1.00 0.00 C ATOM 1143 OD1 ASP A 74 6.750 6.376 -2.069 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.578 6.870 0.065 1.00 0.00 O ATOM 0 H ASP A 74 3.655 8.131 -2.331 1.00 0.00 H new ATOM 0 HA ASP A 74 4.879 5.703 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.054 7.022 -0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.386 5.302 -0.530 1.00 0.00 H new ATOM 1149 N VAL A 75 1.784 5.498 -1.982 1.00 0.00 N ATOM 1150 CA VAL A 75 0.599 4.648 -1.955 1.00 0.00 C ATOM 1151 C VAL A 75 0.250 4.148 -3.353 1.00 0.00 C ATOM 1152 O VAL A 75 0.254 2.945 -3.611 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.614 5.396 -1.371 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -1.827 4.479 -1.309 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.284 5.952 0.006 1.00 0.00 C ATOM 0 H VAL A 75 1.663 6.405 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 75 0.833 3.797 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.854 6.233 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.675 5.024 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.074 4.134 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.602 3.621 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.152 6.477 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.017 5.133 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.554 6.644 -0.072 1.00 0.00 H new ATOM 1165 N ARG A 76 -0.052 5.081 -4.250 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.405 4.735 -5.622 1.00 0.00 C ATOM 1167 C ARG A 76 0.560 3.695 -6.186 1.00 0.00 C ATOM 1168 O ARG A 76 0.152 2.776 -6.897 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.396 5.985 -6.504 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.317 7.087 -6.007 1.00 0.00 C ATOM 1171 CD ARG A 76 -0.992 8.421 -6.661 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.875 9.488 -6.195 1.00 0.00 N ATOM 1173 CZ ARG A 76 -1.939 10.688 -6.762 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -1.178 10.972 -7.809 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -2.767 11.606 -6.281 1.00 0.00 N ATOM 0 H ARG A 76 -0.059 6.082 -4.052 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.409 4.310 -5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.621 6.372 -6.561 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.689 5.707 -7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.353 6.820 -6.218 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.225 7.179 -4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.043 8.687 -6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.079 8.325 -7.743 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.475 9.302 -5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.541 10.268 -8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.230 11.894 -8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.355 11.391 -5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.816 12.527 -6.716 1.00 0.00 H new ATOM 1189 N LEU A 77 1.840 3.847 -5.864 1.00 0.00 N ATOM 1190 CA LEU A 77 2.863 2.922 -6.338 1.00 0.00 C ATOM 1191 C LEU A 77 2.652 1.530 -5.752 1.00 0.00 C ATOM 1192 O LEU A 77 2.788 0.524 -6.449 1.00 0.00 O ATOM 1193 CB LEU A 77 4.255 3.438 -5.970 1.00 0.00 C ATOM 1194 CG LEU A 77 5.397 2.427 -6.084 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.010 2.470 -7.475 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.456 2.697 -5.025 1.00 0.00 C ATOM 0 H LEU A 77 2.194 4.602 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 77 2.783 2.855 -7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.486 4.290 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.224 3.808 -4.945 1.00 0.00 H new ATOM 0 HG LEU A 77 4.991 1.429 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.821 1.744 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.248 2.228 -8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.401 3.469 -7.670 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.261 1.968 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.858 3.701 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.009 2.615 -4.034 1.00 0.00 H new ATOM 1208 N VAL A 78 2.317 1.479 -4.467 1.00 0.00 N ATOM 1209 CA VAL A 78 2.084 0.210 -3.787 1.00 0.00 C ATOM 1210 C VAL A 78 1.176 -0.696 -4.611 1.00 0.00 C ATOM 1211 O VAL A 78 1.269 -1.921 -4.533 1.00 0.00 O ATOM 1212 CB VAL A 78 1.452 0.425 -2.398 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.111 -0.910 -1.754 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.385 1.233 -1.509 1.00 0.00 C ATOM 0 H VAL A 78 2.201 2.302 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 78 3.056 -0.267 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 78 0.527 0.988 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.666 -0.738 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.403 -1.448 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.019 -1.502 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.923 1.376 -0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.328 0.699 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.573 2.204 -1.967 1.00 0.00 H new ATOM 1224 N PHE A 79 0.299 -0.086 -5.401 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.627 -0.837 -6.240 1.00 0.00 C ATOM 1226 C PHE A 79 -0.030 -1.084 -7.622 1.00 0.00 C ATOM 1227 O PHE A 79 -0.352 -2.072 -8.282 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.954 -0.087 -6.371 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.450 0.484 -5.074 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.578 -0.319 -3.952 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -2.789 1.824 -4.977 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -3.035 0.204 -2.757 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.247 2.353 -3.784 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.369 1.542 -2.673 1.00 0.00 C ATOM 0 H PHE A 79 0.210 0.927 -5.478 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.809 -1.801 -5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.836 0.721 -7.093 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.707 -0.765 -6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.318 -1.365 -4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.695 2.463 -5.843 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.131 -0.433 -1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.509 3.399 -3.721 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.725 1.953 -1.740 1.00 0.00 H new ATOM 1244 N ASP A 80 0.841 -0.178 -8.054 1.00 0.00 N ATOM 1245 CA ASP A 80 1.484 -0.297 -9.358 1.00 0.00 C ATOM 1246 C ASP A 80 2.590 -1.347 -9.325 1.00 0.00 C ATOM 1247 O ASP A 80 2.578 -2.300 -10.102 1.00 0.00 O ATOM 1248 CB ASP A 80 2.058 1.053 -9.792 1.00 0.00 C ATOM 1249 CG ASP A 80 3.197 0.907 -10.781 1.00 0.00 C ATOM 1250 OD1 ASP A 80 3.102 0.037 -11.671 1.00 0.00 O ATOM 1251 OD2 ASP A 80 4.185 1.662 -10.664 1.00 0.00 O ATOM 0 H ASP A 80 1.118 0.646 -7.521 1.00 0.00 H new ATOM 0 HA ASP A 80 0.731 -0.612 -10.080 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.267 1.654 -10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.410 1.594 -8.914 1.00 0.00 H new ATOM 1256 N ASN A 81 3.546 -1.163 -8.420 1.00 0.00 N ATOM 1257 CA ASN A 81 4.661 -2.094 -8.286 1.00 0.00 C ATOM 1258 C ASN A 81 4.159 -3.526 -8.131 1.00 0.00 C ATOM 1259 O ASN A 81 4.645 -4.441 -8.797 1.00 0.00 O ATOM 1260 CB ASN A 81 5.530 -1.713 -7.086 1.00 0.00 C ATOM 1261 CG ASN A 81 4.772 -1.795 -5.775 1.00 0.00 C ATOM 1262 OD1 ASN A 81 3.551 -1.636 -5.740 1.00 0.00 O ATOM 1263 ND2 ASN A 81 5.494 -2.043 -4.688 1.00 0.00 N ATOM 0 H ASN A 81 3.571 -0.378 -7.769 1.00 0.00 H new ATOM 0 HA ASN A 81 5.262 -2.035 -9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.396 -2.373 -7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.908 -0.700 -7.221 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.039 -2.109 -3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.503 -2.168 -4.764 1.00 0.00 H new ATOM 1270 N CYS A 82 3.183 -3.712 -7.249 1.00 0.00 N ATOM 1271 CA CYS A 82 2.615 -5.033 -7.005 1.00 0.00 C ATOM 1272 C CYS A 82 1.934 -5.572 -8.260 1.00 0.00 C ATOM 1273 O CYS A 82 2.339 -6.598 -8.804 1.00 0.00 O ATOM 1274 CB CYS A 82 1.612 -4.975 -5.852 1.00 0.00 C ATOM 1275 SG CYS A 82 1.483 -6.512 -4.907 1.00 0.00 S ATOM 0 H CYS A 82 2.769 -2.965 -6.691 1.00 0.00 H new ATOM 0 HA CYS A 82 3.428 -5.707 -6.736 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.898 -4.169 -5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.630 -4.723 -6.252 1.00 0.00 H new ATOM 0 HG CYS A 82 0.710 -6.325 -3.878 1.00 0.00 H new ATOM 1281 N GLU A 83 0.897 -4.873 -8.711 1.00 0.00 N ATOM 1282 CA GLU A 83 0.159 -5.283 -9.900 1.00 0.00 C ATOM 1283 C GLU A 83 1.099 -5.458 -11.089 1.00 0.00 C ATOM 1284 O GLU A 83 0.753 -6.105 -12.079 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.922 -4.254 -10.236 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.447 -3.158 -11.176 1.00 0.00 C ATOM 1287 CD GLU A 83 -1.508 -2.103 -11.425 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -2.507 -2.080 -10.676 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -1.339 -1.302 -12.368 1.00 0.00 O ATOM 0 H GLU A 83 0.549 -4.021 -8.271 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.316 -6.242 -9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.771 -4.766 -10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.279 -3.799 -9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.440 -2.684 -10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.152 -3.602 -12.126 1.00 0.00 H new ATOM 1296 N THR A 84 2.290 -4.877 -10.986 1.00 0.00 N ATOM 1297 CA THR A 84 3.279 -4.967 -12.053 1.00 0.00 C ATOM 1298 C THR A 84 4.033 -6.290 -11.994 1.00 0.00 C ATOM 1299 O THR A 84 4.040 -7.056 -12.958 1.00 0.00 O ATOM 1300 CB THR A 84 4.291 -3.808 -11.979 1.00 0.00 C ATOM 1301 OG1 THR A 84 3.702 -2.609 -12.494 1.00 0.00 O ATOM 1302 CG2 THR A 84 5.551 -4.139 -12.766 1.00 0.00 C ATOM 0 H THR A 84 2.593 -4.339 -10.174 1.00 0.00 H new ATOM 0 HA THR A 84 2.734 -4.905 -12.995 1.00 0.00 H new ATOM 0 HB THR A 84 4.563 -3.658 -10.934 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.221 -2.146 -11.776 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.251 -3.306 -12.699 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.013 -5.035 -12.353 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.292 -4.313 -13.811 1.00 0.00 H new ATOM 1310 N PHE A 85 4.667 -6.554 -10.856 1.00 0.00 N ATOM 1311 CA PHE A 85 5.426 -7.786 -10.671 1.00 0.00 C ATOM 1312 C PHE A 85 4.514 -9.005 -10.772 1.00 0.00 C ATOM 1313 O PHE A 85 4.727 -9.886 -11.603 1.00 0.00 O ATOM 1314 CB PHE A 85 6.135 -7.775 -9.316 1.00 0.00 C ATOM 1315 CG PHE A 85 7.091 -8.918 -9.130 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.361 -8.873 -9.683 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.720 -10.038 -8.404 1.00 0.00 C ATOM 1318 CE1 PHE A 85 9.243 -9.923 -9.513 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.598 -11.091 -8.231 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.861 -11.034 -8.787 1.00 0.00 C ATOM 0 H PHE A 85 4.670 -5.931 -10.048 1.00 0.00 H new ATOM 0 HA PHE A 85 6.173 -7.846 -11.462 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.678 -6.836 -9.207 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.387 -7.805 -8.523 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.665 -8.008 -10.253 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.733 -10.089 -7.968 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.231 -9.875 -9.948 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.297 -11.958 -7.661 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.548 -11.856 -8.654 1.00 0.00 H new ATOM 1330 N ASN A 86 3.497 -9.049 -9.917 1.00 0.00 N ATOM 1331 CA ASN A 86 2.553 -10.160 -9.907 1.00 0.00 C ATOM 1332 C ASN A 86 2.037 -10.448 -11.314 1.00 0.00 C ATOM 1333 O ASN A 86 2.155 -9.613 -12.211 1.00 0.00 O ATOM 1334 CB ASN A 86 1.380 -9.852 -8.975 1.00 0.00 C ATOM 1335 CG ASN A 86 1.701 -10.152 -7.523 1.00 0.00 C ATOM 1336 OD1 ASN A 86 1.525 -11.278 -7.057 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.174 -9.143 -6.802 1.00 0.00 N ATOM 0 H ASN A 86 3.306 -8.327 -9.222 1.00 0.00 H new ATOM 0 HA ASN A 86 3.075 -11.044 -9.542 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.107 -8.802 -9.074 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.513 -10.437 -9.281 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.408 -9.284 -5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.304 -8.227 -7.231 1.00 0.00 H new ATOM 1383 N SER A 90 -3.129 -13.399 -10.943 1.00 0.00 N ATOM 1384 CA SER A 90 -2.735 -13.780 -9.592 1.00 0.00 C ATOM 1385 C SER A 90 -3.677 -13.170 -8.558 1.00 0.00 C ATOM 1386 O SER A 90 -4.306 -12.142 -8.807 1.00 0.00 O ATOM 1387 CB SER A 90 -1.297 -13.337 -9.313 1.00 0.00 C ATOM 1388 OG SER A 90 -1.183 -11.925 -9.351 1.00 0.00 O ATOM 0 HA SER A 90 -2.795 -14.866 -9.516 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.983 -13.704 -8.336 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.627 -13.779 -10.050 1.00 0.00 H new ATOM 0 HG SER A 90 -1.842 -11.560 -9.978 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.767 -13.812 -7.398 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.631 -13.333 -6.325 1.00 0.00 C ATOM 1396 C ASP A 91 -4.303 -11.887 -5.968 1.00 0.00 C ATOM 1397 O ASP A 91 -5.197 -11.047 -5.857 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.485 -14.222 -5.089 1.00 0.00 C ATOM 1399 CG ASP A 91 -4.964 -15.639 -5.336 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -6.097 -15.804 -5.835 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -4.207 -16.584 -5.029 1.00 0.00 O ATOM 0 H ASP A 91 -3.253 -14.665 -7.177 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.662 -13.377 -6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.439 -14.243 -4.782 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.051 -13.789 -4.264 1.00 0.00 H new ATOM 1406 N ILE A 92 -3.017 -11.604 -5.789 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.572 -10.259 -5.445 1.00 0.00 C ATOM 1408 C ILE A 92 -2.848 -9.281 -6.581 1.00 0.00 C ATOM 1409 O ILE A 92 -3.320 -8.167 -6.355 1.00 0.00 O ATOM 1410 CB ILE A 92 -1.068 -10.232 -5.112 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.801 -10.963 -3.795 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.568 -8.797 -5.039 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.665 -11.036 -3.431 1.00 0.00 C ATOM 0 H ILE A 92 -2.265 -12.288 -5.876 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.136 -9.955 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.526 -10.745 -5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.341 -10.460 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.201 -11.975 -3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.496 -8.794 -4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.728 -8.307 -5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.113 -8.261 -4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.779 -11.568 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.208 -11.566 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.066 -10.027 -3.331 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.552 -9.706 -7.806 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.777 -8.856 -8.960 1.00 0.00 C ATOM 1427 C GLY A 93 -4.130 -8.173 -8.923 1.00 0.00 C ATOM 1428 O GLY A 93 -4.217 -6.948 -9.006 1.00 0.00 O ATOM 0 H GLY A 93 -2.161 -10.623 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.993 -8.100 -9.009 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.700 -9.454 -9.868 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.189 -8.968 -8.801 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.544 -8.433 -8.756 1.00 0.00 C ATOM 1434 C ARG A 94 -6.705 -7.457 -7.595 1.00 0.00 C ATOM 1435 O ARG A 94 -7.344 -6.414 -7.732 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.560 -9.569 -8.626 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.482 -10.587 -9.752 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.661 -11.547 -9.718 1.00 0.00 C ATOM 1439 NE ARG A 94 -8.923 -12.139 -11.027 1.00 0.00 N ATOM 1440 CZ ARG A 94 -10.009 -12.850 -11.308 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -10.930 -13.057 -10.376 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -10.177 -13.356 -12.523 1.00 0.00 N ATOM 0 H ARG A 94 -5.134 -9.984 -8.732 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.727 -7.896 -9.687 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.403 -10.079 -7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.564 -9.146 -8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.460 -10.069 -10.711 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.551 -11.149 -9.672 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.463 -12.339 -8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.550 -11.017 -9.375 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.234 -11.999 -11.766 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.805 -12.670 -9.441 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.763 -13.603 -10.595 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.472 -13.199 -13.243 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.012 -13.902 -12.737 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.123 -7.803 -6.452 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.200 -6.957 -5.267 1.00 0.00 C ATOM 1458 C ALA A 95 -5.731 -5.539 -5.573 1.00 0.00 C ATOM 1459 O ALA A 95 -6.355 -4.565 -5.157 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.377 -7.556 -4.137 1.00 0.00 C ATOM 0 H ALA A 95 -5.592 -8.664 -6.321 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.243 -6.906 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.443 -6.914 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.761 -8.546 -3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.336 -7.637 -4.449 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.625 -5.432 -6.304 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.090 -4.128 -6.653 1.00 0.00 C ATOM 1468 C GLY A 96 -5.113 -3.248 -7.344 1.00 0.00 C ATOM 1469 O GLY A 96 -5.389 -2.135 -6.895 1.00 0.00 O ATOM 0 H GLY A 96 -4.090 -6.224 -6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.737 -3.630 -5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.226 -4.256 -7.305 1.00 0.00 H new ATOM 1473 N HIS A 97 -5.675 -3.746 -8.441 1.00 0.00 N ATOM 1474 CA HIS A 97 -6.673 -2.996 -9.196 1.00 0.00 C ATOM 1475 C HIS A 97 -7.852 -2.612 -8.307 1.00 0.00 C ATOM 1476 O HIS A 97 -8.420 -1.530 -8.447 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.164 -3.817 -10.388 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.194 -3.856 -11.529 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -5.647 -2.721 -12.090 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -5.674 -4.901 -12.214 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -4.832 -3.066 -13.071 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -4.831 -4.384 -13.167 1.00 0.00 N ATOM 0 H HIS A 97 -5.457 -4.665 -8.827 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.205 -2.082 -9.562 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.366 -4.836 -10.058 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.109 -3.403 -10.739 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.883 -5.947 -12.043 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.264 -2.387 -13.689 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.292 -4.929 -13.840 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.215 -3.507 -7.394 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.327 -3.263 -6.484 1.00 0.00 C ATOM 1492 C ASN A 98 -8.991 -2.144 -5.502 1.00 0.00 C ATOM 1493 O ASN A 98 -9.819 -1.277 -5.227 1.00 0.00 O ATOM 1494 CB ASN A 98 -9.678 -4.540 -5.718 1.00 0.00 C ATOM 1495 CG ASN A 98 -10.674 -5.407 -6.464 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.123 -5.056 -7.555 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.024 -6.545 -5.877 1.00 0.00 N ATOM 0 H ASN A 98 -7.755 -4.408 -7.265 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.188 -2.956 -7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.768 -5.112 -5.535 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.089 -4.275 -4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.691 -7.169 -6.331 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.626 -6.795 -4.972 1.00 0.00 H new ATOM 1504 N MET A 99 -7.770 -2.171 -4.978 1.00 0.00 N ATOM 1505 CA MET A 99 -7.323 -1.159 -4.029 1.00 0.00 C ATOM 1506 C MET A 99 -7.117 0.184 -4.723 1.00 0.00 C ATOM 1507 O MET A 99 -7.120 1.233 -4.078 1.00 0.00 O ATOM 1508 CB MET A 99 -6.024 -1.601 -3.352 1.00 0.00 C ATOM 1509 CG MET A 99 -6.199 -2.788 -2.419 1.00 0.00 C ATOM 1510 SD MET A 99 -7.529 -2.544 -1.227 1.00 0.00 S ATOM 1511 CE MET A 99 -7.090 -0.944 -0.552 1.00 0.00 C ATOM 0 H MET A 99 -7.073 -2.883 -5.195 1.00 0.00 H new ATOM 0 HA MET A 99 -8.097 -1.041 -3.271 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.293 -1.857 -4.119 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.614 -0.763 -2.788 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.404 -3.681 -3.009 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.266 -2.966 -1.885 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.660 -0.765 0.359 1.00 0.00 H new ATOM 0 HE2 MET A 99 -6.025 -0.926 -0.323 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.318 -0.167 -1.281 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.939 0.144 -6.039 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.730 1.357 -6.819 1.00 0.00 C ATOM 1523 C ARG A 100 -8.050 2.088 -7.052 1.00 0.00 C ATOM 1524 O ARG A 100 -8.115 3.315 -6.970 1.00 0.00 O ATOM 1525 CB ARG A 100 -6.079 1.020 -8.162 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.845 2.234 -9.047 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.918 1.869 -10.522 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.752 1.103 -10.954 1.00 0.00 N ATOM 1529 CZ ARG A 100 -4.506 0.792 -12.222 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -5.339 1.181 -13.177 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -3.424 0.091 -12.536 1.00 0.00 N ATOM 0 H ARG A 100 -6.935 -0.716 -6.588 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.066 2.011 -6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.125 0.524 -7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.711 0.309 -8.694 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.589 2.998 -8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.869 2.665 -8.825 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.822 1.289 -10.708 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.995 2.779 -11.117 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.091 0.790 -10.244 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.171 1.721 -12.939 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.148 0.941 -14.150 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.781 -0.209 -11.804 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.236 -0.148 -13.510 1.00 0.00 H new ATOM 1545 N LYS A 101 -9.099 1.326 -7.342 1.00 0.00 N ATOM 1546 CA LYS A 101 -10.417 1.900 -7.585 1.00 0.00 C ATOM 1547 C LYS A 101 -11.001 2.485 -6.303 1.00 0.00 C ATOM 1548 O LYS A 101 -11.735 3.473 -6.338 1.00 0.00 O ATOM 1549 CB LYS A 101 -11.362 0.836 -8.150 1.00 0.00 C ATOM 1550 CG LYS A 101 -11.632 -0.309 -7.190 1.00 0.00 C ATOM 1551 CD LYS A 101 -12.862 -1.101 -7.599 1.00 0.00 C ATOM 1552 CE LYS A 101 -13.540 -1.740 -6.396 1.00 0.00 C ATOM 1553 NZ LYS A 101 -14.599 -2.704 -6.804 1.00 0.00 N ATOM 0 H LYS A 101 -9.062 0.309 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.307 2.704 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.308 1.307 -8.416 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.936 0.435 -9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.766 -0.970 -7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.770 0.084 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.567 -0.443 -8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.577 -1.875 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.794 -2.255 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.978 -0.962 -5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.037 -3.118 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -15.324 -2.208 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.177 -3.460 -7.380 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.670 1.870 -5.173 1.00 0.00 N ATOM 1568 CA TYR A 102 -11.163 2.329 -3.880 1.00 0.00 C ATOM 1569 C TYR A 102 -10.360 3.528 -3.386 1.00 0.00 C ATOM 1570 O TYR A 102 -10.924 4.555 -3.007 1.00 0.00 O ATOM 1571 CB TYR A 102 -11.095 1.197 -2.854 1.00 0.00 C ATOM 1572 CG TYR A 102 -11.635 1.580 -1.494 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -12.986 1.447 -1.199 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -10.794 2.075 -0.505 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -13.484 1.796 0.042 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -11.283 2.425 0.739 1.00 0.00 C ATOM 1577 CZ TYR A 102 -12.628 2.284 1.007 1.00 0.00 C ATOM 1578 OH TYR A 102 -13.119 2.633 2.245 1.00 0.00 O ATOM 0 H TYR A 102 -10.062 1.052 -5.126 1.00 0.00 H new ATOM 0 HA TYR A 102 -12.202 2.636 -4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.656 0.342 -3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -10.059 0.876 -2.747 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -13.659 1.064 -1.952 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.740 2.188 -0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -14.537 1.687 0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.615 2.807 1.497 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.386 2.958 2.808 1.00 0.00 H new ATOM 1588 N PHE A 103 -9.038 3.390 -3.393 1.00 0.00 N ATOM 1589 CA PHE A 103 -8.155 4.460 -2.945 1.00 0.00 C ATOM 1590 C PHE A 103 -8.661 5.818 -3.423 1.00 0.00 C ATOM 1591 O PHE A 103 -8.653 6.794 -2.673 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.732 4.225 -3.457 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.801 5.371 -3.188 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.701 5.917 -1.918 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -5.025 5.904 -4.204 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.844 6.972 -1.666 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -4.166 6.959 -3.959 1.00 0.00 C ATOM 1598 CZ PHE A 103 -4.076 7.494 -2.689 1.00 0.00 C ATOM 0 H PHE A 103 -8.555 2.547 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.146 4.457 -1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.331 3.325 -2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.767 4.040 -4.531 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -6.300 5.513 -1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -5.092 5.490 -5.199 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.775 7.387 -0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.566 7.365 -4.760 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.406 8.319 -2.496 1.00 0.00 H new ATOM 1608 N GLU A 104 -9.099 5.872 -4.677 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.607 7.110 -5.255 1.00 0.00 C ATOM 1610 C GLU A 104 -10.907 7.534 -4.578 1.00 0.00 C ATOM 1611 O GLU A 104 -10.947 8.526 -3.850 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.834 6.941 -6.759 1.00 0.00 C ATOM 1613 CG GLU A 104 -8.604 6.461 -7.510 1.00 0.00 C ATOM 1614 CD GLU A 104 -8.952 5.720 -8.787 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -9.954 6.092 -9.433 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -8.223 4.770 -9.139 1.00 0.00 O ATOM 0 H GLU A 104 -9.112 5.073 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.862 7.889 -5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.646 6.232 -6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.157 7.894 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.973 7.317 -7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.020 5.807 -6.863 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.970 6.775 -4.823 1.00 0.00 N ATOM 1624 CA LYS A 105 -13.273 7.069 -4.238 1.00 0.00 C ATOM 1625 C LYS A 105 -13.131 7.485 -2.777 1.00 0.00 C ATOM 1626 O LYS A 105 -13.905 8.301 -2.275 1.00 0.00 O ATOM 1627 CB LYS A 105 -14.190 5.849 -4.345 1.00 0.00 C ATOM 1628 CG LYS A 105 -14.989 5.801 -5.636 1.00 0.00 C ATOM 1629 CD LYS A 105 -14.168 5.227 -6.779 1.00 0.00 C ATOM 1630 CE LYS A 105 -14.999 5.080 -8.044 1.00 0.00 C ATOM 1631 NZ LYS A 105 -14.306 4.253 -9.070 1.00 0.00 N ATOM 0 H LYS A 105 -11.954 5.951 -5.424 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.714 7.897 -4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.588 4.944 -4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.879 5.848 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.883 5.195 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.323 6.805 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.314 5.875 -6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.769 4.255 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.958 4.624 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.211 6.067 -8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.905 4.177 -9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.402 4.701 -9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.126 3.303 -8.687 1.00 0.00 H new ATOM 1645 N LYS A 106 -12.137 6.921 -2.100 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.892 7.235 -0.697 1.00 0.00 C ATOM 1647 C LYS A 106 -11.103 8.533 -0.560 1.00 0.00 C ATOM 1648 O LYS A 106 -11.409 9.369 0.290 1.00 0.00 O ATOM 1649 CB LYS A 106 -11.132 6.091 -0.023 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.612 6.438 1.362 1.00 0.00 C ATOM 1651 CD LYS A 106 -11.743 6.540 2.372 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.280 7.202 3.661 1.00 0.00 C ATOM 1653 NZ LYS A 106 -11.458 8.680 3.620 1.00 0.00 N ATOM 0 H LYS A 106 -11.488 6.244 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.856 7.363 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.789 5.224 0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.292 5.802 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.901 5.678 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.072 7.384 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.565 7.112 1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.128 5.544 2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.840 6.792 4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.230 6.967 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.529 9.048 4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.642 9.115 3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.327 8.911 3.097 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.089 8.696 -1.402 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.258 9.894 -1.375 1.00 0.00 C ATOM 1669 C TRP A 107 -10.065 11.125 -1.772 1.00 0.00 C ATOM 1670 O TRP A 107 -10.122 12.108 -1.032 1.00 0.00 O ATOM 1671 CB TRP A 107 -8.060 9.730 -2.312 1.00 0.00 C ATOM 1672 CG TRP A 107 -7.095 10.874 -2.249 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -7.148 12.033 -2.970 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.931 10.969 -1.419 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -6.088 12.842 -2.639 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.327 12.212 -1.689 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.343 10.125 -0.474 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -4.164 12.629 -1.048 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -4.188 10.540 0.162 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.608 11.783 -0.127 1.00 0.00 C ATOM 0 H TRP A 107 -9.822 8.014 -2.112 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.897 10.033 -0.356 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.536 8.808 -2.061 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.420 9.624 -3.335 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.911 12.278 -3.694 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.898 13.762 -3.036 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.783 9.166 -0.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.716 13.586 -1.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.724 9.895 0.894 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.705 12.079 0.387 1.00 0.00 H new ATOM 1691 N THR A 108 -10.688 11.067 -2.945 1.00 0.00 N ATOM 1692 CA THR A 108 -11.491 12.178 -3.441 1.00 0.00 C ATOM 1693 C THR A 108 -12.592 12.544 -2.452 1.00 0.00 C ATOM 1694 O THR A 108 -13.179 13.623 -2.535 1.00 0.00 O ATOM 1695 CB THR A 108 -12.129 11.846 -4.803 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.545 13.051 -5.455 1.00 0.00 O ATOM 1697 CG2 THR A 108 -13.322 10.919 -4.630 1.00 0.00 C ATOM 0 H THR A 108 -10.652 10.262 -3.570 1.00 0.00 H new ATOM 0 HA THR A 108 -10.817 13.026 -3.561 1.00 0.00 H new ATOM 0 HB THR A 108 -11.383 11.341 -5.416 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.763 13.729 -4.782 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.756 10.699 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.997 9.991 -4.160 1.00 0.00 H new ATOM 0 HG23 THR A 108 -14.070 11.402 -4.001 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.866 11.640 -1.518 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.896 11.870 -0.511 1.00 0.00 C ATOM 1707 C ASP A 109 -13.316 12.581 0.708 1.00 0.00 C ATOM 1708 O ASP A 109 -14.028 13.281 1.429 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.531 10.544 -0.090 1.00 0.00 C ATOM 1710 CG ASP A 109 -15.853 10.737 0.627 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -15.999 11.753 1.340 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.742 9.874 0.475 1.00 0.00 O ATOM 0 H ASP A 109 -12.390 10.742 -1.437 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.663 12.508 -0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.687 9.923 -0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.843 10.006 0.562 1.00 0.00 H new ATOM 1717 N THR A 110 -12.019 12.395 0.933 1.00 0.00 N ATOM 1718 CA THR A 110 -11.344 13.017 2.066 1.00 0.00 C ATOM 1719 C THR A 110 -11.119 14.504 1.823 1.00 0.00 C ATOM 1720 O THR A 110 -11.475 15.340 2.653 1.00 0.00 O ATOM 1721 CB THR A 110 -9.988 12.343 2.350 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.195 11.035 2.893 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.163 13.176 3.319 1.00 0.00 C ATOM 0 H THR A 110 -11.415 11.819 0.346 1.00 0.00 H new ATOM 0 HA THR A 110 -11.994 12.888 2.931 1.00 0.00 H new ATOM 0 HB THR A 110 -9.443 12.262 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 110 -9.451 10.807 3.489 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.210 12.681 3.505 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.982 14.161 2.889 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.705 13.284 4.259 1.00 0.00 H new