USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 885 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: B 72 HIS : no HD1:sc= -2.08 K(o=-3.9,f=-2.3) USER MOD Set 1.2: B 116 ASN : amide:sc= -1.84 K(o=-3.9,f=-6!) USER MOD Set 2.1: B 54 TYR OH : rot 30:sc= -0.0186 USER MOD Set 2.2: B 61 GLN : amide:sc= 0.397 X(o=0.38,f=0.73) USER MOD Single : A 9 ASN : amide:sc= -0.704 X(o=-0.7,f=-0.33) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.062) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -91:sc= 1.23 USER MOD Single : A 31 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.14) USER MOD Single : A 32 GLN : amide:sc= -0.207 K(o=-0.21,f=-0.82) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -135:sc= 0.0119 (180deg=-0.0192) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ -152:sc= 1.3 (180deg=1.09) USER MOD Single : B 47 THR OG1 : rot 117:sc= 1.24 USER MOD Single : B 48 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0707) USER MOD Single : B 55 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.3) USER MOD Single : B 56 ASN : amide:sc= 1.17 K(o=1.2,f=-0.11) USER MOD Single : B 57 SER OG : rot 1:sc= 0.278 USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 1.16 K(o=1.2,f=-1.8!) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ -122:sc= 1.95 (180deg=0.222) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot -49:sc= 0.48 USER MOD Single : B 97 GLN : amide:sc= -2.8! K(o=-2.8!,f=-0.055) USER MOD Single : B 98 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0661) USER MOD Single : B 103 ASN : amide:sc= 0.795 K(o=0.8,f=-0.17) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.086 K(o=-0.086,f=-1.4!) USER MOD Single : B 107 THR OG1 : rot -37:sc= 0.967 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 115 TYR OH : rot 68:sc= 0.0456 USER MOD Single : B 123 CYS SG : rot 72:sc= 1.27 USER MOD Single : B 124 GLN : amide:sc= 0.838 K(o=0.84,f=-1) USER MOD Single : B 129 LYS NZ :NH3+ 165:sc= 1.35 (180deg=1.1) USER MOD Single : B 131 ASN : amide:sc= 1.14 K(o=1.1,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 8 10.477 0.037 -7.372 1.00 0.00 N ATOM 104 CA GLU A 8 9.647 1.081 -6.787 1.00 0.00 C ATOM 105 C GLU A 8 8.499 0.451 -6.012 1.00 0.00 C ATOM 106 O GLU A 8 8.077 0.958 -4.977 1.00 0.00 O ATOM 107 CB GLU A 8 9.095 2.018 -7.860 1.00 0.00 C ATOM 108 CG GLU A 8 8.469 1.288 -9.032 1.00 0.00 C ATOM 109 CD GLU A 8 9.384 1.254 -10.229 1.00 0.00 C ATOM 110 OE1 GLU A 8 10.310 0.425 -10.239 1.00 0.00 O ATOM 111 OE2 GLU A 8 9.190 2.065 -11.156 1.00 0.00 O1- ATOM 0 HA GLU A 8 10.267 1.669 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.350 2.674 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.901 2.654 -8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.223 0.269 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.533 1.775 -9.305 1.00 0.00 H new ATOM 118 N ASN A 9 8.019 -0.678 -6.518 1.00 0.00 N ATOM 119 CA ASN A 9 6.944 -1.420 -5.879 1.00 0.00 C ATOM 120 C ASN A 9 7.396 -2.003 -4.550 1.00 0.00 C ATOM 121 O ASN A 9 6.626 -2.051 -3.601 1.00 0.00 O ATOM 122 CB ASN A 9 6.431 -2.527 -6.799 1.00 0.00 C ATOM 123 CG ASN A 9 7.553 -3.231 -7.530 1.00 0.00 C ATOM 124 OD1 ASN A 9 8.145 -4.182 -7.025 1.00 0.00 O ATOM 125 ND2 ASN A 9 7.852 -2.763 -8.729 1.00 0.00 N ATOM 0 H ASN A 9 8.363 -1.102 -7.379 1.00 0.00 H new ATOM 0 HA ASN A 9 6.128 -0.724 -5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.870 -3.254 -6.212 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.738 -2.101 -7.525 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.600 -3.194 -9.273 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.335 -1.971 -9.111 1.00 0.00 H new ATOM 132 N SER A 10 8.648 -2.431 -4.482 1.00 0.00 N ATOM 133 CA SER A 10 9.223 -2.907 -3.230 1.00 0.00 C ATOM 134 C SER A 10 9.173 -1.796 -2.183 1.00 0.00 C ATOM 135 O SER A 10 8.890 -2.041 -1.007 1.00 0.00 O ATOM 136 CB SER A 10 10.669 -3.374 -3.445 1.00 0.00 C ATOM 137 OG SER A 10 11.249 -3.845 -2.237 1.00 0.00 O ATOM 0 H SER A 10 9.286 -2.459 -5.278 1.00 0.00 H new ATOM 0 HA SER A 10 8.639 -3.756 -2.875 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.689 -4.167 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.264 -2.550 -3.838 1.00 0.00 H new ATOM 0 HG SER A 10 12.169 -4.136 -2.408 1.00 0.00 H new ATOM 143 N GLN A 11 9.425 -0.570 -2.632 1.00 0.00 N ATOM 144 CA GLN A 11 9.369 0.592 -1.760 1.00 0.00 C ATOM 145 C GLN A 11 7.920 0.920 -1.417 1.00 0.00 C ATOM 146 O GLN A 11 7.615 1.325 -0.296 1.00 0.00 O ATOM 147 CB GLN A 11 10.049 1.786 -2.433 1.00 0.00 C ATOM 148 CG GLN A 11 11.489 1.510 -2.830 1.00 0.00 C ATOM 149 CD GLN A 11 12.374 1.164 -1.645 1.00 0.00 C ATOM 150 OE1 GLN A 11 13.317 0.382 -1.768 1.00 0.00 O ATOM 151 NE2 GLN A 11 12.090 1.754 -0.494 1.00 0.00 N ATOM 0 H GLN A 11 9.671 -0.358 -3.599 1.00 0.00 H new ATOM 0 HA GLN A 11 9.900 0.369 -0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.482 2.066 -3.321 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.023 2.640 -1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.512 0.688 -3.546 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.895 2.386 -3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.300 2.396 -0.431 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.661 1.566 0.330 1.00 0.00 H new ATOM 160 N LEU A 12 7.035 0.738 -2.395 1.00 0.00 N ATOM 161 CA LEU A 12 5.598 0.885 -2.177 1.00 0.00 C ATOM 162 C LEU A 12 5.137 -0.046 -1.060 1.00 0.00 C ATOM 163 O LEU A 12 4.514 0.388 -0.093 1.00 0.00 O ATOM 164 CB LEU A 12 4.818 0.563 -3.457 1.00 0.00 C ATOM 165 CG LEU A 12 5.118 1.459 -4.659 1.00 0.00 C ATOM 166 CD1 LEU A 12 4.299 1.025 -5.861 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.842 2.915 -4.328 1.00 0.00 C ATOM 0 H LEU A 12 7.290 0.487 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 12 5.404 1.920 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.025 -0.470 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.752 0.626 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 12 6.175 1.359 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.524 1.673 -6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.546 -0.005 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.238 1.095 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.062 3.534 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.794 3.034 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.472 3.224 -3.494 1.00 0.00 H new ATOM 179 N LEU A 13 5.479 -1.324 -1.203 1.00 0.00 N ATOM 180 CA LEU A 13 5.086 -2.359 -0.247 1.00 0.00 C ATOM 181 C LEU A 13 5.573 -2.027 1.151 1.00 0.00 C ATOM 182 O LEU A 13 4.826 -2.133 2.120 1.00 0.00 O ATOM 183 CB LEU A 13 5.669 -3.713 -0.659 1.00 0.00 C ATOM 184 CG LEU A 13 5.358 -4.159 -2.084 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.010 -5.500 -2.370 1.00 0.00 C ATOM 186 CD2 LEU A 13 3.858 -4.225 -2.312 1.00 0.00 C ATOM 0 H LEU A 13 6.036 -1.672 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 13 3.997 -2.406 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.752 -3.674 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.298 -4.473 0.029 1.00 0.00 H new ATOM 0 HG LEU A 13 5.769 -3.423 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.780 -5.806 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.090 -5.412 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.629 -6.246 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.659 -4.545 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.415 -4.938 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.421 -3.240 -2.149 1.00 0.00 H new ATOM 198 N ASP A 14 6.832 -1.622 1.239 1.00 0.00 N ATOM 199 CA ASP A 14 7.469 -1.341 2.518 1.00 0.00 C ATOM 200 C ASP A 14 6.779 -0.166 3.208 1.00 0.00 C ATOM 201 O ASP A 14 6.612 -0.154 4.427 1.00 0.00 O ATOM 202 CB ASP A 14 8.953 -1.041 2.292 1.00 0.00 C ATOM 203 CG ASP A 14 9.786 -1.196 3.545 1.00 0.00 C ATOM 204 OD1 ASP A 14 9.905 -2.337 4.048 1.00 0.00 O ATOM 205 OD2 ASP A 14 10.363 -0.194 4.012 1.00 0.00 O1- ATOM 0 H ASP A 14 7.438 -1.480 0.431 1.00 0.00 H new ATOM 0 HA ASP A 14 7.378 -2.213 3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.339 -1.708 1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.059 -0.023 1.916 1.00 0.00 H new ATOM 210 N PHE A 15 6.352 0.800 2.404 1.00 0.00 N ATOM 211 CA PHE A 15 5.644 1.977 2.896 1.00 0.00 C ATOM 212 C PHE A 15 4.248 1.598 3.391 1.00 0.00 C ATOM 213 O PHE A 15 3.868 1.916 4.518 1.00 0.00 O ATOM 214 CB PHE A 15 5.549 3.008 1.769 1.00 0.00 C ATOM 215 CG PHE A 15 4.991 4.337 2.182 1.00 0.00 C ATOM 216 CD1 PHE A 15 5.815 5.305 2.727 1.00 0.00 C ATOM 217 CD2 PHE A 15 3.648 4.628 2.004 1.00 0.00 C ATOM 218 CE1 PHE A 15 5.314 6.537 3.090 1.00 0.00 C ATOM 219 CE2 PHE A 15 3.141 5.859 2.364 1.00 0.00 C ATOM 220 CZ PHE A 15 3.975 6.816 2.909 1.00 0.00 C ATOM 0 H PHE A 15 6.486 0.790 1.393 1.00 0.00 H new ATOM 0 HA PHE A 15 6.193 2.404 3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.544 3.161 1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.927 2.600 0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.864 5.093 2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.992 3.883 1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.969 7.283 3.516 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.093 6.075 2.220 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.580 7.780 3.193 1.00 0.00 H new ATOM 230 N ILE A 16 3.496 0.915 2.529 1.00 0.00 N ATOM 231 CA ILE A 16 2.158 0.426 2.863 1.00 0.00 C ATOM 232 C ILE A 16 2.203 -0.425 4.128 1.00 0.00 C ATOM 233 O ILE A 16 1.323 -0.349 4.990 1.00 0.00 O ATOM 234 CB ILE A 16 1.584 -0.427 1.707 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.486 0.404 0.425 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.221 -0.997 2.076 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.196 -0.421 -0.811 1.00 0.00 C ATOM 0 H ILE A 16 3.796 0.685 1.581 1.00 0.00 H new ATOM 0 HA ILE A 16 1.517 1.293 3.026 1.00 0.00 H new ATOM 0 HB ILE A 16 2.265 -1.260 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.702 1.151 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.421 0.944 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.161 -1.593 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.317 -1.626 2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.470 -0.181 2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.140 0.234 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.992 -1.151 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.246 -0.941 -0.687 1.00 0.00 H new ATOM 249 N ARG A 17 3.252 -1.220 4.222 1.00 0.00 N ATOM 250 CA ARG A 17 3.461 -2.114 5.342 1.00 0.00 C ATOM 251 C ARG A 17 3.593 -1.341 6.652 1.00 0.00 C ATOM 252 O ARG A 17 2.976 -1.698 7.657 1.00 0.00 O ATOM 253 CB ARG A 17 4.711 -2.944 5.071 1.00 0.00 C ATOM 254 CG ARG A 17 5.018 -3.995 6.111 1.00 0.00 C ATOM 255 CD ARG A 17 6.119 -4.906 5.614 1.00 0.00 C ATOM 256 NE ARG A 17 6.553 -5.856 6.628 1.00 0.00 N ATOM 257 CZ ARG A 17 7.696 -6.530 6.571 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.535 -6.342 5.557 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 8.005 -7.386 7.532 1.00 0.00 N ATOM 0 H ARG A 17 3.988 -1.263 3.517 1.00 0.00 H new ATOM 0 HA ARG A 17 2.597 -2.771 5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.601 -3.433 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.565 -2.272 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.321 -3.519 7.043 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.122 -4.577 6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.769 -5.450 4.737 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.970 -4.303 5.297 1.00 0.00 H new ATOM 0 HE ARG A 17 5.943 -6.013 7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.302 -5.678 4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.412 -6.862 5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.366 -7.527 8.314 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.882 -7.905 7.490 1.00 0.00 H new ATOM 273 N GLU A 18 4.383 -0.274 6.633 1.00 0.00 N ATOM 274 CA GLU A 18 4.576 0.550 7.820 1.00 0.00 C ATOM 275 C GLU A 18 3.278 1.239 8.244 1.00 0.00 C ATOM 276 O GLU A 18 3.073 1.505 9.428 1.00 0.00 O ATOM 277 CB GLU A 18 5.683 1.582 7.598 1.00 0.00 C ATOM 278 CG GLU A 18 7.071 0.964 7.543 1.00 0.00 C ATOM 279 CD GLU A 18 8.187 1.993 7.637 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.963 3.066 8.232 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 9.303 1.722 7.135 1.00 0.00 O ATOM 0 H GLU A 18 4.899 0.040 5.811 1.00 0.00 H new ATOM 0 HA GLU A 18 4.881 -0.114 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.492 2.116 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.651 2.319 8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.176 0.248 8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.177 0.406 6.613 1.00 0.00 H new ATOM 288 N LEU A 19 2.398 1.511 7.282 1.00 0.00 N ATOM 289 CA LEU A 19 1.105 2.118 7.588 1.00 0.00 C ATOM 290 C LEU A 19 0.286 1.189 8.468 1.00 0.00 C ATOM 291 O LEU A 19 -0.223 1.584 9.519 1.00 0.00 O ATOM 292 CB LEU A 19 0.302 2.397 6.313 1.00 0.00 C ATOM 293 CG LEU A 19 1.008 3.200 5.232 1.00 0.00 C ATOM 294 CD1 LEU A 19 0.156 3.258 3.976 1.00 0.00 C ATOM 295 CD2 LEU A 19 1.321 4.600 5.719 1.00 0.00 C ATOM 0 H LEU A 19 2.555 1.322 6.292 1.00 0.00 H new ATOM 0 HA LEU A 19 1.303 3.058 8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.003 1.442 5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.609 2.926 6.592 1.00 0.00 H new ATOM 0 HG LEU A 19 1.948 2.701 4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.674 3.836 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.021 2.247 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.798 3.733 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.826 5.156 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.394 5.108 5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.968 4.545 6.594 1.00 0.00 H new ATOM 307 N GLY A 20 0.157 -0.051 8.022 1.00 0.00 N ATOM 308 CA GLY A 20 -0.639 -1.025 8.736 1.00 0.00 C ATOM 309 C GLY A 20 -0.023 -1.426 10.059 1.00 0.00 C ATOM 310 O GLY A 20 -0.721 -1.916 10.948 1.00 0.00 O ATOM 0 H GLY A 20 0.594 -0.402 7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.634 -0.616 8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.764 -1.912 8.115 1.00 0.00 H new ATOM 314 N ASP A 21 1.279 -1.211 10.198 1.00 0.00 N ATOM 315 CA ASP A 21 1.976 -1.590 11.418 1.00 0.00 C ATOM 316 C ASP A 21 1.575 -0.690 12.584 1.00 0.00 C ATOM 317 O ASP A 21 1.413 -1.161 13.707 1.00 0.00 O ATOM 318 CB ASP A 21 3.488 -1.537 11.211 1.00 0.00 C ATOM 319 CG ASP A 21 4.246 -2.104 12.391 1.00 0.00 C ATOM 320 OD1 ASP A 21 4.497 -3.328 12.412 1.00 0.00 O1- ATOM 321 OD2 ASP A 21 4.600 -1.332 13.303 1.00 0.00 O ATOM 0 H ASP A 21 1.869 -0.780 9.487 1.00 0.00 H new ATOM 0 HA ASP A 21 1.689 -2.613 11.661 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.750 -2.094 10.311 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.795 -0.504 11.047 1.00 0.00 H new ATOM 326 N VAL A 22 1.392 0.598 12.314 1.00 0.00 N ATOM 327 CA VAL A 22 1.036 1.550 13.363 1.00 0.00 C ATOM 328 C VAL A 22 -0.460 1.815 13.385 1.00 0.00 C ATOM 329 O VAL A 22 -1.005 2.288 14.384 1.00 0.00 O ATOM 330 CB VAL A 22 1.779 2.892 13.211 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.230 2.747 13.630 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.686 3.405 11.782 1.00 0.00 C ATOM 0 H VAL A 22 1.483 1.006 11.384 1.00 0.00 H new ATOM 0 HA VAL A 22 1.339 1.089 14.303 1.00 0.00 H new ATOM 0 HB VAL A 22 1.300 3.621 13.865 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.739 3.704 13.516 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.278 2.432 14.672 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.717 2.000 13.003 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.218 4.353 11.700 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.134 2.678 11.105 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.639 3.552 11.516 1.00 0.00 H new ATOM 342 N GLY A 23 -1.121 1.515 12.279 1.00 0.00 N ATOM 343 CA GLY A 23 -2.552 1.689 12.216 1.00 0.00 C ATOM 344 C GLY A 23 -2.960 2.921 11.436 1.00 0.00 C ATOM 345 O GLY A 23 -3.899 3.621 11.810 1.00 0.00 O ATOM 0 H GLY A 23 -0.692 1.155 11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.000 0.808 11.756 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.950 1.757 13.228 1.00 0.00 H new ATOM 349 N LEU A 24 -2.241 3.198 10.362 1.00 0.00 N ATOM 350 CA LEU A 24 -2.592 4.292 9.468 1.00 0.00 C ATOM 351 C LEU A 24 -3.372 3.763 8.275 1.00 0.00 C ATOM 352 O LEU A 24 -4.186 4.468 7.679 1.00 0.00 O ATOM 353 CB LEU A 24 -1.332 5.015 8.991 1.00 0.00 C ATOM 354 CG LEU A 24 -0.575 5.782 10.073 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.733 6.326 9.526 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.432 6.911 10.619 1.00 0.00 C ATOM 0 H LEU A 24 -1.407 2.679 10.086 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.216 5.000 10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.658 4.282 8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.609 5.712 8.200 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.347 5.094 10.887 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.258 6.869 10.312 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.354 5.500 9.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.527 7.000 8.694 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.879 7.448 11.389 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.688 7.597 9.811 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.345 6.499 11.049 1.00 0.00 H new ATOM 368 N LEU A 25 -3.124 2.508 7.937 1.00 0.00 N ATOM 369 CA LEU A 25 -3.774 1.884 6.797 1.00 0.00 C ATOM 370 C LEU A 25 -5.113 1.280 7.204 1.00 0.00 C ATOM 371 O LEU A 25 -5.967 1.009 6.361 1.00 0.00 O ATOM 372 CB LEU A 25 -2.859 0.807 6.217 1.00 0.00 C ATOM 373 CG LEU A 25 -3.391 0.081 4.988 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.697 1.069 3.873 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.391 -0.962 4.526 1.00 0.00 C ATOM 0 H LEU A 25 -2.475 1.900 8.438 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.964 2.643 6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.905 1.267 5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.659 0.069 6.994 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.320 -0.424 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.076 0.531 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.448 1.782 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.787 1.603 3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.781 -1.475 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.448 -0.476 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.224 -1.685 5.324 1.00 0.00 H new ATOM 387 N GLU A 26 -5.290 1.103 8.504 1.00 0.00 N ATOM 388 CA GLU A 26 -6.484 0.468 9.041 1.00 0.00 C ATOM 389 C GLU A 26 -7.732 1.284 8.703 1.00 0.00 C ATOM 390 O GLU A 26 -7.706 2.516 8.703 1.00 0.00 O ATOM 391 CB GLU A 26 -6.336 0.280 10.550 1.00 0.00 C ATOM 392 CG GLU A 26 -6.236 1.580 11.326 1.00 0.00 C ATOM 393 CD GLU A 26 -6.338 1.374 12.821 1.00 0.00 C ATOM 394 OE1 GLU A 26 -5.465 0.696 13.400 1.00 0.00 O1- ATOM 395 OE2 GLU A 26 -7.303 1.884 13.424 1.00 0.00 O ATOM 0 H GLU A 26 -4.616 1.393 9.212 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.601 -0.513 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.189 -0.288 10.921 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.446 -0.318 10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.288 2.066 11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.028 2.255 11.001 1.00 0.00 H new ATOM 402 N TYR A 27 -8.818 0.586 8.410 1.00 0.00 N ATOM 403 CA TYR A 27 -10.028 1.216 7.891 1.00 0.00 C ATOM 404 C TYR A 27 -11.279 0.535 8.440 1.00 0.00 C ATOM 405 O TYR A 27 -11.190 -0.422 9.210 1.00 0.00 O ATOM 406 CB TYR A 27 -10.022 1.130 6.361 1.00 0.00 C ATOM 407 CG TYR A 27 -9.907 -0.293 5.856 1.00 0.00 C ATOM 408 CD1 TYR A 27 -11.037 -1.076 5.662 1.00 0.00 C ATOM 409 CD2 TYR A 27 -8.668 -0.859 5.603 1.00 0.00 C ATOM 410 CE1 TYR A 27 -10.933 -2.384 5.228 1.00 0.00 C ATOM 411 CE2 TYR A 27 -8.556 -2.164 5.175 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.688 -2.923 4.988 1.00 0.00 C ATOM 413 OH TYR A 27 -9.571 -4.229 4.569 1.00 0.00 O ATOM 0 H TYR A 27 -8.889 -0.425 8.523 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.043 2.259 8.207 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.938 1.576 5.973 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.191 1.718 5.971 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.013 -0.656 5.853 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.775 -0.268 5.744 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.821 -2.979 5.078 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.582 -2.590 4.987 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.624 -4.449 4.445 1.00 0.00 H new ATOM 423 N GLU A 28 -12.440 1.045 8.053 1.00 0.00 N ATOM 424 CA GLU A 28 -13.704 0.416 8.386 1.00 0.00 C ATOM 425 C GLU A 28 -14.671 0.592 7.225 1.00 0.00 C ATOM 426 O GLU A 28 -14.795 1.686 6.672 1.00 0.00 O ATOM 427 CB GLU A 28 -14.296 1.011 9.664 1.00 0.00 C ATOM 428 CG GLU A 28 -15.454 0.198 10.219 1.00 0.00 C ATOM 429 CD GLU A 28 -15.085 -1.258 10.438 1.00 0.00 C ATOM 430 OE1 GLU A 28 -14.515 -1.579 11.504 1.00 0.00 O ATOM 431 OE2 GLU A 28 -15.351 -2.085 9.542 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.529 1.900 7.504 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.533 -0.646 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.514 1.082 10.420 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.637 2.026 9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.781 0.633 11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.298 0.257 9.532 1.00 0.00 H new ATOM 438 N LEU A 29 -15.342 -0.482 6.854 1.00 0.00 N ATOM 439 CA LEU A 29 -16.231 -0.468 5.701 1.00 0.00 C ATOM 440 C LEU A 29 -17.666 -0.749 6.117 1.00 0.00 C ATOM 441 O LEU A 29 -17.921 -1.609 6.960 1.00 0.00 O ATOM 442 CB LEU A 29 -15.792 -1.520 4.684 1.00 0.00 C ATOM 443 CG LEU A 29 -14.348 -1.408 4.203 1.00 0.00 C ATOM 444 CD1 LEU A 29 -13.996 -2.591 3.323 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.132 -0.103 3.454 1.00 0.00 C ATOM 0 H LEU A 29 -15.290 -1.380 7.335 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.179 0.524 5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.934 -2.507 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.451 -1.459 3.818 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.692 -1.413 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.963 -2.499 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.112 -3.514 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.659 -2.611 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.096 -0.043 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.795 -0.065 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.349 0.736 4.115 1.00 0.00 H new ATOM 457 N SER A 30 -18.598 -0.026 5.520 1.00 0.00 N ATOM 458 CA SER A 30 -20.012 -0.287 5.725 1.00 0.00 C ATOM 459 C SER A 30 -20.522 -1.245 4.650 1.00 0.00 C ATOM 460 O SER A 30 -19.798 -1.535 3.697 1.00 0.00 O ATOM 461 CB SER A 30 -20.800 1.023 5.703 1.00 0.00 C ATOM 462 OG SER A 30 -20.511 1.771 4.533 1.00 0.00 O ATOM 0 H SER A 30 -18.400 0.749 4.887 1.00 0.00 H new ATOM 0 HA SER A 30 -20.153 -0.752 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 30 -21.868 0.810 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.555 1.613 6.586 1.00 0.00 H new ATOM 0 HG SER A 30 -19.763 2.379 4.710 1.00 0.00 H new ATOM 468 N GLN A 31 -21.748 -1.732 4.787 1.00 0.00 N ATOM 469 CA GLN A 31 -22.299 -2.691 3.829 1.00 0.00 C ATOM 470 C GLN A 31 -22.262 -2.137 2.405 1.00 0.00 C ATOM 471 O GLN A 31 -21.975 -2.864 1.450 1.00 0.00 O ATOM 472 CB GLN A 31 -23.729 -3.069 4.213 1.00 0.00 C ATOM 473 CG GLN A 31 -23.825 -3.819 5.531 1.00 0.00 C ATOM 474 CD GLN A 31 -23.097 -5.148 5.500 1.00 0.00 C ATOM 475 OE1 GLN A 31 -23.672 -6.173 5.140 1.00 0.00 O ATOM 476 NE2 GLN A 31 -21.833 -5.143 5.884 1.00 0.00 N ATOM 0 H GLN A 31 -22.380 -1.482 5.547 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.678 -3.586 3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.332 -2.163 4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.159 -3.684 3.422 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.411 -3.201 6.328 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -24.874 -3.989 5.772 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -21.392 -4.271 6.176 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -21.298 -6.011 5.889 1.00 0.00 H new ATOM 485 N GLN A 32 -22.528 -0.844 2.272 1.00 0.00 N ATOM 486 CA GLN A 32 -22.513 -0.185 0.986 1.00 0.00 C ATOM 487 C GLN A 32 -21.104 -0.127 0.410 1.00 0.00 C ATOM 488 O GLN A 32 -20.905 -0.340 -0.786 1.00 0.00 O ATOM 489 CB GLN A 32 -23.083 1.217 1.136 1.00 0.00 C ATOM 490 CG GLN A 32 -24.592 1.242 1.300 1.00 0.00 C ATOM 491 CD GLN A 32 -25.315 0.651 0.108 1.00 0.00 C ATOM 492 OE1 GLN A 32 -24.824 0.706 -1.020 1.00 0.00 O ATOM 493 NE2 GLN A 32 -26.484 0.081 0.346 1.00 0.00 N ATOM 0 H GLN A 32 -22.759 -0.230 3.053 1.00 0.00 H new ATOM 0 HA GLN A 32 -23.127 -0.758 0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -22.623 1.697 2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -22.811 1.807 0.261 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -24.866 0.688 2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -24.921 2.271 1.447 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -26.856 0.057 1.296 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -27.014 -0.334 -0.420 1.00 0.00 H new ATOM 502 N GLU A 33 -20.131 0.144 1.268 1.00 0.00 N ATOM 503 CA GLU A 33 -18.740 0.226 0.846 1.00 0.00 C ATOM 504 C GLU A 33 -18.185 -1.158 0.540 1.00 0.00 C ATOM 505 O GLU A 33 -17.305 -1.315 -0.297 1.00 0.00 O ATOM 506 CB GLU A 33 -17.898 0.900 1.924 1.00 0.00 C ATOM 507 CG GLU A 33 -18.308 2.336 2.196 1.00 0.00 C ATOM 508 CD GLU A 33 -17.594 2.924 3.388 1.00 0.00 C ATOM 509 OE1 GLU A 33 -18.010 2.631 4.529 1.00 0.00 O1- ATOM 510 OE2 GLU A 33 -16.622 3.683 3.194 1.00 0.00 O ATOM 0 H GLU A 33 -20.280 0.311 2.263 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.696 0.825 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.976 0.326 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.851 0.879 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.099 2.943 1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -19.384 2.378 2.364 1.00 0.00 H new ATOM 517 N LYS A 34 -18.722 -2.166 1.207 1.00 0.00 N ATOM 518 CA LYS A 34 -18.260 -3.529 1.010 1.00 0.00 C ATOM 519 C LYS A 34 -18.787 -4.078 -0.304 1.00 0.00 C ATOM 520 O LYS A 34 -18.164 -4.936 -0.928 1.00 0.00 O ATOM 521 CB LYS A 34 -18.691 -4.420 2.176 1.00 0.00 C ATOM 522 CG LYS A 34 -17.954 -4.112 3.466 1.00 0.00 C ATOM 523 CD LYS A 34 -18.307 -5.095 4.564 1.00 0.00 C ATOM 524 CE LYS A 34 -17.501 -4.826 5.823 1.00 0.00 C ATOM 525 NZ LYS A 34 -17.800 -5.808 6.895 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.476 -2.067 1.887 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.171 -3.522 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.762 -4.301 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.523 -5.463 1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.879 -4.139 3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.198 -3.101 3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.371 -5.026 4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.119 -6.112 4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.437 -4.860 5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.716 -3.820 6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.229 -5.588 7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.810 -5.759 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.571 -6.766 6.562 1.00 0.00 H new ATOM 539 N ASP A 35 -19.918 -3.545 -0.738 1.00 0.00 N ATOM 540 CA ASP A 35 -20.556 -4.000 -1.962 1.00 0.00 C ATOM 541 C ASP A 35 -19.735 -3.614 -3.183 1.00 0.00 C ATOM 542 O ASP A 35 -19.661 -4.359 -4.157 1.00 0.00 O ATOM 543 CB ASP A 35 -21.956 -3.404 -2.077 1.00 0.00 C ATOM 544 CG ASP A 35 -22.719 -3.961 -3.265 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.306 -5.054 -3.138 1.00 0.00 O ATOM 546 OD2 ASP A 35 -22.730 -3.312 -4.332 1.00 0.00 O1- ATOM 0 H ASP A 35 -20.414 -2.794 -0.258 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.626 -5.087 -1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.512 -3.608 -1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.882 -2.321 -2.170 1.00 0.00 H new ATOM 551 N VAL A 36 -19.102 -2.456 -3.124 1.00 0.00 N ATOM 552 CA VAL A 36 -18.348 -1.952 -4.259 1.00 0.00 C ATOM 553 C VAL A 36 -16.938 -2.534 -4.289 1.00 0.00 C ATOM 554 O VAL A 36 -16.307 -2.607 -5.342 1.00 0.00 O ATOM 555 CB VAL A 36 -18.276 -0.412 -4.252 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.674 0.187 -4.270 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.495 0.093 -3.050 1.00 0.00 C ATOM 0 H VAL A 36 -19.095 -1.848 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 36 -18.878 -2.269 -5.157 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.750 -0.095 -5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.604 1.275 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.198 -0.139 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.224 -0.145 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.460 1.182 -3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.984 -0.237 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.480 -0.303 -3.083 1.00 0.00 H new ATOM 567 N LEU A 37 -16.450 -2.955 -3.131 1.00 0.00 N ATOM 568 CA LEU A 37 -15.091 -3.467 -3.028 1.00 0.00 C ATOM 569 C LEU A 37 -15.061 -4.980 -3.178 1.00 0.00 C ATOM 570 O LEU A 37 -14.325 -5.513 -4.006 1.00 0.00 O ATOM 571 CB LEU A 37 -14.471 -3.053 -1.694 1.00 0.00 C ATOM 572 CG LEU A 37 -14.495 -1.550 -1.427 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.853 -1.228 -0.090 1.00 0.00 C ATOM 574 CD2 LEU A 37 -13.803 -0.794 -2.549 1.00 0.00 C ATOM 0 H LEU A 37 -16.971 -2.952 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.505 -3.037 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.000 -3.561 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.438 -3.399 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.536 -1.230 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.882 -0.151 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.398 -1.734 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.817 -1.567 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.831 0.275 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.766 -1.122 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.314 -0.992 -3.491 1.00 0.00 H new ATOM 659 N LYS B 43 -1.000 8.392 13.707 1.00 0.00 N ATOM 660 CA LYS B 43 0.286 7.794 14.027 1.00 0.00 C ATOM 661 C LYS B 43 1.342 8.238 13.022 1.00 0.00 C ATOM 662 O LYS B 43 1.032 8.878 12.016 1.00 0.00 O ATOM 663 CB LYS B 43 0.196 6.263 14.027 1.00 0.00 C ATOM 664 CG LYS B 43 -0.877 5.706 14.948 1.00 0.00 C ATOM 665 CD LYS B 43 -2.230 5.654 14.259 1.00 0.00 C ATOM 666 CE LYS B 43 -3.355 5.488 15.255 1.00 0.00 C ATOM 667 NZ LYS B 43 -3.245 4.218 16.020 1.00 0.00 N1+ ATOM 0 HA LYS B 43 0.570 8.129 15.025 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.001 5.921 13.011 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.162 5.853 14.322 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.595 4.705 15.274 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -0.947 6.324 15.843 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -2.383 6.569 13.686 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -2.246 4.827 13.550 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -3.351 6.329 15.948 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -4.310 5.512 14.730 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.176 3.758 16.064 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -2.568 3.585 15.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -2.913 4.421 16.984 1.00 0.00 H new ATOM 681 N THR B 44 2.583 7.897 13.307 1.00 0.00 N ATOM 682 CA THR B 44 3.681 8.155 12.394 1.00 0.00 C ATOM 683 C THR B 44 4.255 6.845 11.887 1.00 0.00 C ATOM 684 O THR B 44 3.950 5.783 12.430 1.00 0.00 O ATOM 685 CB THR B 44 4.791 8.974 13.067 1.00 0.00 C ATOM 686 OG1 THR B 44 4.885 8.628 14.458 1.00 0.00 O ATOM 687 CG2 THR B 44 4.529 10.461 12.910 1.00 0.00 C ATOM 0 H THR B 44 2.859 7.435 14.174 1.00 0.00 H new ATOM 0 HA THR B 44 3.288 8.733 11.558 1.00 0.00 H new ATOM 0 HB THR B 44 5.738 8.740 12.581 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.597 9.154 14.879 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.327 11.024 13.394 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.497 10.715 11.850 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.575 10.713 13.373 1.00 0.00 H new ATOM 695 N LEU B 45 5.087 6.913 10.861 1.00 0.00 N ATOM 696 CA LEU B 45 5.654 5.707 10.283 1.00 0.00 C ATOM 697 C LEU B 45 6.760 5.143 11.152 1.00 0.00 C ATOM 698 O LEU B 45 7.121 5.722 12.181 1.00 0.00 O ATOM 699 CB LEU B 45 6.174 5.959 8.869 1.00 0.00 C ATOM 700 CG LEU B 45 5.102 6.332 7.857 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.673 6.358 6.455 1.00 0.00 C ATOM 702 CD2 LEU B 45 3.949 5.358 7.946 1.00 0.00 C ATOM 0 H LEU B 45 5.382 7.782 10.415 1.00 0.00 H new ATOM 0 HA LEU B 45 4.851 4.971 10.229 1.00 0.00 H new ATOM 0 HB2 LEU B 45 6.914 6.758 8.905 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.688 5.064 8.520 1.00 0.00 H new ATOM 0 HG LEU B 45 4.736 7.332 8.088 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.889 6.627 5.748 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.476 7.093 6.403 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.066 5.373 6.204 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.185 5.631 7.218 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.307 4.350 7.735 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.523 5.389 8.949 1.00 0.00 H new ATOM 714 N LYS B 46 7.307 4.023 10.729 1.00 0.00 N ATOM 715 CA LYS B 46 8.319 3.341 11.504 1.00 0.00 C ATOM 716 C LYS B 46 9.672 3.949 11.188 1.00 0.00 C ATOM 717 O LYS B 46 10.385 4.427 12.075 1.00 0.00 O ATOM 718 CB LYS B 46 8.331 1.844 11.179 1.00 0.00 C ATOM 719 CG LYS B 46 6.961 1.179 11.209 1.00 0.00 C ATOM 720 CD LYS B 46 6.183 1.510 12.470 1.00 0.00 C ATOM 721 CE LYS B 46 6.896 1.041 13.732 1.00 0.00 C ATOM 722 NZ LYS B 46 7.016 -0.439 13.791 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.066 3.565 9.850 1.00 0.00 H new ATOM 0 HA LYS B 46 8.097 3.457 12.565 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.767 1.704 10.190 1.00 0.00 H new ATOM 0 HB3 LYS B 46 8.983 1.336 11.890 1.00 0.00 H new ATOM 0 HG2 LYS B 46 6.387 1.496 10.338 1.00 0.00 H new ATOM 0 HG3 LYS B 46 7.083 0.098 11.134 1.00 0.00 H new ATOM 0 HD2 LYS B 46 6.025 2.587 12.524 1.00 0.00 H new ATOM 0 HD3 LYS B 46 5.198 1.046 12.418 1.00 0.00 H new ATOM 0 HE2 LYS B 46 7.890 1.486 13.773 1.00 0.00 H new ATOM 0 HE3 LYS B 46 6.352 1.395 14.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.049 -0.745 14.784 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 6.195 -0.873 13.322 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 7.888 -0.736 13.308 1.00 0.00 H new ATOM 736 N THR B 47 9.988 3.956 9.907 1.00 0.00 N ATOM 737 CA THR B 47 11.231 4.513 9.421 1.00 0.00 C ATOM 738 C THR B 47 11.088 6.016 9.218 1.00 0.00 C ATOM 739 O THR B 47 10.180 6.475 8.526 1.00 0.00 O ATOM 740 CB THR B 47 11.621 3.852 8.089 1.00 0.00 C ATOM 741 OG1 THR B 47 11.637 2.425 8.240 1.00 0.00 O ATOM 742 CG2 THR B 47 12.980 4.342 7.624 1.00 0.00 C ATOM 0 H THR B 47 9.388 3.575 9.175 1.00 0.00 H new ATOM 0 HA THR B 47 12.010 4.322 10.160 1.00 0.00 H new ATOM 0 HB THR B 47 10.882 4.125 7.336 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.960 2.026 7.654 1.00 0.00 H new ATOM 0 HG21 THR B 47 13.236 3.862 6.680 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.949 5.423 7.485 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.732 4.094 8.373 1.00 0.00 H new ATOM 750 N LYS B 48 11.993 6.777 9.825 1.00 0.00 N ATOM 751 CA LYS B 48 11.935 8.233 9.774 1.00 0.00 C ATOM 752 C LYS B 48 12.088 8.741 8.346 1.00 0.00 C ATOM 753 O LYS B 48 11.477 9.738 7.969 1.00 0.00 O ATOM 754 CB LYS B 48 13.021 8.839 10.665 1.00 0.00 C ATOM 755 CG LYS B 48 12.922 10.355 10.812 1.00 0.00 C ATOM 756 CD LYS B 48 11.602 10.786 11.442 1.00 0.00 C ATOM 757 CE LYS B 48 11.533 10.427 12.919 1.00 0.00 C ATOM 758 NZ LYS B 48 12.430 11.281 13.740 1.00 0.00 N1+ ATOM 0 H LYS B 48 12.779 6.407 10.360 1.00 0.00 H new ATOM 0 HA LYS B 48 10.957 8.543 10.142 1.00 0.00 H new ATOM 0 HB2 LYS B 48 12.963 8.383 11.653 1.00 0.00 H new ATOM 0 HB3 LYS B 48 13.998 8.586 10.254 1.00 0.00 H new ATOM 0 HG2 LYS B 48 13.749 10.714 11.424 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.025 10.821 9.832 1.00 0.00 H new ATOM 0 HD2 LYS B 48 11.478 11.863 11.324 1.00 0.00 H new ATOM 0 HD3 LYS B 48 10.776 10.310 10.914 1.00 0.00 H new ATOM 0 HE2 LYS B 48 10.507 10.535 13.271 1.00 0.00 H new ATOM 0 HE3 LYS B 48 11.807 9.380 13.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 12.220 11.136 14.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 13.420 11.025 13.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 12.278 12.280 13.495 1.00 0.00 H new ATOM 772 N ALA B 49 12.908 8.051 7.560 1.00 0.00 N ATOM 773 CA ALA B 49 13.095 8.401 6.157 1.00 0.00 C ATOM 774 C ALA B 49 11.778 8.298 5.398 1.00 0.00 C ATOM 775 O ALA B 49 11.496 9.101 4.513 1.00 0.00 O ATOM 776 CB ALA B 49 14.144 7.504 5.519 1.00 0.00 C ATOM 0 H ALA B 49 13.453 7.247 7.871 1.00 0.00 H new ATOM 0 HA ALA B 49 13.443 9.433 6.106 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.270 7.780 4.472 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.092 7.624 6.043 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.822 6.465 5.584 1.00 0.00 H new ATOM 782 N PHE B 50 10.972 7.309 5.766 1.00 0.00 N ATOM 783 CA PHE B 50 9.671 7.097 5.145 1.00 0.00 C ATOM 784 C PHE B 50 8.634 8.048 5.723 1.00 0.00 C ATOM 785 O PHE B 50 7.841 8.640 4.986 1.00 0.00 O ATOM 786 CB PHE B 50 9.219 5.649 5.337 1.00 0.00 C ATOM 787 CG PHE B 50 9.599 4.738 4.206 1.00 0.00 C ATOM 788 CD1 PHE B 50 10.816 4.874 3.558 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.727 3.749 3.783 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.155 4.039 2.511 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.061 2.913 2.736 1.00 0.00 C ATOM 792 CZ PHE B 50 10.276 3.058 2.100 1.00 0.00 C ATOM 0 H PHE B 50 11.200 6.636 6.498 1.00 0.00 H new ATOM 0 HA PHE B 50 9.768 7.299 4.078 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.650 5.264 6.261 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.136 5.630 5.458 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.507 5.641 3.875 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.774 3.630 4.278 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.107 4.154 2.015 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.371 2.146 2.415 1.00 0.00 H new ATOM 0 HZ PHE B 50 10.539 2.405 1.281 1.00 0.00 H new ATOM 802 N ASP B 51 8.649 8.194 7.049 1.00 0.00 N ATOM 803 CA ASP B 51 7.722 9.090 7.738 1.00 0.00 C ATOM 804 C ASP B 51 7.854 10.500 7.189 1.00 0.00 C ATOM 805 O ASP B 51 6.875 11.237 7.086 1.00 0.00 O ATOM 806 CB ASP B 51 7.988 9.101 9.244 1.00 0.00 C ATOM 807 CG ASP B 51 6.957 9.915 9.996 1.00 0.00 C ATOM 808 OD1 ASP B 51 5.774 9.513 10.012 1.00 0.00 O ATOM 809 OD2 ASP B 51 7.328 10.950 10.588 1.00 0.00 O1- ATOM 0 H ASP B 51 9.294 7.702 7.667 1.00 0.00 H new ATOM 0 HA ASP B 51 6.709 8.725 7.566 1.00 0.00 H new ATOM 0 HB2 ASP B 51 7.987 8.078 9.620 1.00 0.00 H new ATOM 0 HB3 ASP B 51 8.981 9.509 9.434 1.00 0.00 H new ATOM 814 N ASP B 52 9.083 10.852 6.830 1.00 0.00 N ATOM 815 CA ASP B 52 9.393 12.142 6.227 1.00 0.00 C ATOM 816 C ASP B 52 8.449 12.451 5.066 1.00 0.00 C ATOM 817 O ASP B 52 7.803 13.497 5.045 1.00 0.00 O ATOM 818 CB ASP B 52 10.846 12.139 5.745 1.00 0.00 C ATOM 819 CG ASP B 52 11.265 13.448 5.113 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.715 14.349 5.849 1.00 0.00 O ATOM 821 OD2 ASP B 52 11.162 13.575 3.876 1.00 0.00 O1- ATOM 0 H ASP B 52 9.896 10.248 6.950 1.00 0.00 H new ATOM 0 HA ASP B 52 9.258 12.920 6.978 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.502 11.924 6.589 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.981 11.334 5.023 1.00 0.00 H new ATOM 826 N ILE B 53 8.341 11.521 4.123 1.00 0.00 N ATOM 827 CA ILE B 53 7.483 11.711 2.958 1.00 0.00 C ATOM 828 C ILE B 53 6.013 11.739 3.364 1.00 0.00 C ATOM 829 O ILE B 53 5.243 12.557 2.868 1.00 0.00 O ATOM 830 CB ILE B 53 7.693 10.605 1.901 1.00 0.00 C ATOM 831 CG1 ILE B 53 9.133 10.616 1.390 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.720 10.763 0.740 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.976 9.490 1.934 1.00 0.00 C ATOM 0 H ILE B 53 8.836 10.629 4.142 1.00 0.00 H new ATOM 0 HA ILE B 53 7.760 12.669 2.518 1.00 0.00 H new ATOM 0 HB ILE B 53 7.499 9.645 2.379 1.00 0.00 H new ATOM 0 HG12 ILE B 53 9.124 10.559 0.302 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.596 11.566 1.655 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.891 9.971 0.011 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.697 10.700 1.111 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.874 11.732 0.265 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.985 9.562 1.528 1.00 0.00 H new ATOM 0 HD12 ILE B 53 10.016 9.558 3.021 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.537 8.535 1.647 1.00 0.00 H new ATOM 845 N TYR B 54 5.639 10.857 4.284 1.00 0.00 N ATOM 846 CA TYR B 54 4.255 10.761 4.743 1.00 0.00 C ATOM 847 C TYR B 54 3.772 12.094 5.313 1.00 0.00 C ATOM 848 O TYR B 54 2.623 12.484 5.116 1.00 0.00 O ATOM 849 CB TYR B 54 4.121 9.652 5.793 1.00 0.00 C ATOM 850 CG TYR B 54 2.710 9.456 6.308 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.729 8.884 5.507 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.360 9.843 7.594 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.440 8.707 5.975 1.00 0.00 C ATOM 854 CE2 TYR B 54 1.075 9.669 8.068 1.00 0.00 C ATOM 855 CZ TYR B 54 0.118 9.100 7.257 1.00 0.00 C ATOM 856 OH TYR B 54 -1.166 8.926 7.728 1.00 0.00 O ATOM 0 H TYR B 54 6.276 10.196 4.729 1.00 0.00 H new ATOM 0 HA TYR B 54 3.629 10.514 3.886 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.473 8.714 5.363 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.775 9.882 6.634 1.00 0.00 H new ATOM 0 HD1 TYR B 54 1.977 8.573 4.503 1.00 0.00 H new ATOM 0 HD2 TYR B 54 3.106 10.288 8.235 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.312 8.263 5.339 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.821 9.978 9.071 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.570 8.145 7.296 1.00 0.00 H new ATOM 866 N GLN B 55 4.662 12.801 5.999 1.00 0.00 N ATOM 867 CA GLN B 55 4.313 14.082 6.596 1.00 0.00 C ATOM 868 C GLN B 55 4.422 15.201 5.561 1.00 0.00 C ATOM 869 O GLN B 55 3.833 16.270 5.719 1.00 0.00 O ATOM 870 CB GLN B 55 5.234 14.389 7.780 1.00 0.00 C ATOM 871 CG GLN B 55 5.334 13.266 8.804 1.00 0.00 C ATOM 872 CD GLN B 55 4.003 12.903 9.429 1.00 0.00 C ATOM 873 OE1 GLN B 55 3.116 13.746 9.569 1.00 0.00 O ATOM 874 NE2 GLN B 55 3.860 11.648 9.824 1.00 0.00 N ATOM 0 H GLN B 55 5.627 12.509 6.155 1.00 0.00 H new ATOM 0 HA GLN B 55 3.284 14.022 6.950 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.232 14.609 7.401 1.00 0.00 H new ATOM 0 HB3 GLN B 55 4.876 15.289 8.279 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.755 12.383 8.324 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.028 13.562 9.591 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.620 10.981 9.689 1.00 0.00 H new ATOM 0 HE22 GLN B 55 2.990 11.348 10.263 1.00 0.00 H new ATOM 883 N ASN B 56 5.169 14.938 4.494 1.00 0.00 N ATOM 884 CA ASN B 56 5.450 15.947 3.476 1.00 0.00 C ATOM 885 C ASN B 56 4.755 15.643 2.156 1.00 0.00 C ATOM 886 O ASN B 56 5.268 15.981 1.088 1.00 0.00 O ATOM 887 CB ASN B 56 6.956 16.053 3.237 1.00 0.00 C ATOM 888 CG ASN B 56 7.660 16.843 4.319 1.00 0.00 C ATOM 889 OD1 ASN B 56 7.819 18.058 4.210 1.00 0.00 O ATOM 890 ND2 ASN B 56 8.090 16.160 5.365 1.00 0.00 N ATOM 0 H ASN B 56 5.594 14.029 4.310 1.00 0.00 H new ATOM 0 HA ASN B 56 5.062 16.894 3.852 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.384 15.052 3.186 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.135 16.526 2.271 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.575 16.640 6.123 1.00 0.00 H new ATOM 0 HD22 ASN B 56 7.937 15.153 5.415 1.00 0.00 H new ATOM 897 N SER B 57 3.604 14.998 2.215 1.00 0.00 N ATOM 898 CA SER B 57 2.841 14.710 1.012 1.00 0.00 C ATOM 899 C SER B 57 1.346 14.758 1.285 1.00 0.00 C ATOM 900 O SER B 57 0.713 13.736 1.555 1.00 0.00 O ATOM 901 CB SER B 57 3.242 13.353 0.428 1.00 0.00 C ATOM 902 OG SER B 57 4.573 13.390 -0.059 1.00 0.00 O ATOM 0 H SER B 57 3.177 14.664 3.079 1.00 0.00 H new ATOM 0 HA SER B 57 3.072 15.481 0.277 1.00 0.00 H new ATOM 0 HB2 SER B 57 3.151 12.581 1.192 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.561 13.084 -0.380 1.00 0.00 H new ATOM 0 HG SER B 57 4.956 14.277 0.103 1.00 0.00 H new ATOM 908 N ALA B 58 0.787 15.957 1.203 1.00 0.00 N ATOM 909 CA ALA B 58 -0.637 16.161 1.416 1.00 0.00 C ATOM 910 C ALA B 58 -1.453 15.507 0.308 1.00 0.00 C ATOM 911 O ALA B 58 -2.590 15.091 0.524 1.00 0.00 O ATOM 912 CB ALA B 58 -0.950 17.647 1.498 1.00 0.00 C ATOM 0 H ALA B 58 1.304 16.810 0.988 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.911 15.691 2.361 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.019 17.785 1.658 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.399 18.090 2.328 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.656 18.133 0.567 1.00 0.00 H new ATOM 918 N GLU B 59 -0.857 15.390 -0.875 1.00 0.00 N ATOM 919 CA GLU B 59 -1.539 14.780 -2.006 1.00 0.00 C ATOM 920 C GLU B 59 -1.534 13.263 -1.867 1.00 0.00 C ATOM 921 O GLU B 59 -2.332 12.568 -2.488 1.00 0.00 O ATOM 922 CB GLU B 59 -0.911 15.198 -3.343 1.00 0.00 C ATOM 923 CG GLU B 59 0.597 15.032 -3.418 1.00 0.00 C ATOM 924 CD GLU B 59 1.347 16.160 -2.748 1.00 0.00 C ATOM 925 OE1 GLU B 59 1.495 17.230 -3.370 1.00 0.00 O1- ATOM 926 OE2 GLU B 59 1.789 15.981 -1.597 1.00 0.00 O ATOM 0 H GLU B 59 0.092 15.708 -1.072 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.569 15.136 -2.003 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -1.367 14.612 -4.141 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.157 16.243 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.877 14.088 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.899 14.972 -4.464 1.00 0.00 H new ATOM 933 N LEU B 60 -0.616 12.758 -1.059 1.00 0.00 N ATOM 934 CA LEU B 60 -0.592 11.345 -0.730 1.00 0.00 C ATOM 935 C LEU B 60 -1.520 11.060 0.442 1.00 0.00 C ATOM 936 O LEU B 60 -2.299 10.107 0.421 1.00 0.00 O ATOM 937 CB LEU B 60 0.812 10.894 -0.367 1.00 0.00 C ATOM 938 CG LEU B 60 0.926 9.408 -0.058 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.029 8.608 -1.342 1.00 0.00 C ATOM 940 CD2 LEU B 60 2.099 9.144 0.859 1.00 0.00 C ATOM 0 H LEU B 60 0.122 13.307 -0.619 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.927 10.795 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.484 11.136 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.152 11.462 0.499 1.00 0.00 H new ATOM 0 HG LEU B 60 0.024 9.086 0.462 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.110 7.547 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU B 60 0.139 8.777 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU B 60 1.912 8.924 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU B 60 2.164 8.076 1.068 1.00 0.00 H new ATOM 0 HD22 LEU B 60 3.019 9.476 0.378 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.961 9.689 1.793 1.00 0.00 H new ATOM 952 N GLN B 61 -1.418 11.905 1.467 1.00 0.00 N ATOM 953 CA GLN B 61 -2.192 11.760 2.687 1.00 0.00 C ATOM 954 C GLN B 61 -3.683 11.722 2.384 1.00 0.00 C ATOM 955 O GLN B 61 -4.457 11.078 3.096 1.00 0.00 O ATOM 956 CB GLN B 61 -1.878 12.920 3.643 1.00 0.00 C ATOM 957 CG GLN B 61 -2.699 12.896 4.920 1.00 0.00 C ATOM 958 CD GLN B 61 -2.372 11.712 5.805 1.00 0.00 C ATOM 959 OE1 GLN B 61 -1.579 11.818 6.739 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.948 10.568 5.485 1.00 0.00 N ATOM 0 H GLN B 61 -0.792 12.711 1.469 1.00 0.00 H new ATOM 0 HA GLN B 61 -1.917 10.817 3.160 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -0.819 12.890 3.901 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -2.054 13.863 3.126 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.526 13.818 5.475 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.758 12.872 4.665 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -3.600 10.527 4.702 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.741 9.725 6.021 1.00 0.00 H new ATOM 969 N GLU B 62 -4.073 12.382 1.304 1.00 0.00 N ATOM 970 CA GLU B 62 -5.477 12.477 0.939 1.00 0.00 C ATOM 971 C GLU B 62 -5.975 11.156 0.367 1.00 0.00 C ATOM 972 O GLU B 62 -7.167 10.855 0.426 1.00 0.00 O ATOM 973 CB GLU B 62 -5.696 13.599 -0.076 1.00 0.00 C ATOM 974 CG GLU B 62 -5.099 13.313 -1.441 1.00 0.00 C ATOM 975 CD GLU B 62 -5.489 14.343 -2.477 1.00 0.00 C ATOM 976 OE1 GLU B 62 -4.804 15.381 -2.581 1.00 0.00 O ATOM 977 OE2 GLU B 62 -6.491 14.124 -3.188 1.00 0.00 O1- ATOM 0 H GLU B 62 -3.437 12.859 0.666 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.044 12.704 1.842 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.766 13.773 -0.187 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.262 14.520 0.315 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.013 13.281 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.423 12.327 -1.775 1.00 0.00 H new ATOM 984 N LEU B 63 -5.055 10.359 -0.162 1.00 0.00 N ATOM 985 CA LEU B 63 -5.414 9.111 -0.814 1.00 0.00 C ATOM 986 C LEU B 63 -5.697 8.039 0.226 1.00 0.00 C ATOM 987 O LEU B 63 -6.573 7.196 0.045 1.00 0.00 O ATOM 988 CB LEU B 63 -4.298 8.672 -1.758 1.00 0.00 C ATOM 989 CG LEU B 63 -3.970 9.679 -2.862 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.697 9.285 -3.585 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.123 9.793 -3.846 1.00 0.00 C ATOM 0 H LEU B 63 -4.054 10.557 -0.151 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.319 9.264 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.397 8.486 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.580 7.725 -2.219 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.816 10.653 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.482 10.014 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -1.870 9.258 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.823 8.300 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.869 10.514 -4.623 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.310 8.820 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.018 10.126 -3.321 1.00 0.00 H new ATOM 1003 N LEU B 64 -4.981 8.103 1.338 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.196 7.175 2.440 1.00 0.00 C ATOM 1005 C LEU B 64 -6.428 7.555 3.253 1.00 0.00 C ATOM 1006 O LEU B 64 -6.650 7.024 4.339 1.00 0.00 O ATOM 1007 CB LEU B 64 -3.967 7.121 3.345 1.00 0.00 C ATOM 1008 CG LEU B 64 -2.795 6.304 2.799 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -1.560 6.505 3.659 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.165 4.828 2.732 1.00 0.00 C ATOM 0 H LEU B 64 -4.244 8.789 1.502 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.363 6.187 2.011 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.625 8.140 3.529 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.262 6.705 4.308 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.570 6.651 1.790 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -0.736 5.916 3.256 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.286 7.560 3.661 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -1.771 6.183 4.679 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.321 4.259 2.342 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.413 4.469 3.731 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.025 4.698 2.075 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.220 8.483 2.731 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.480 8.847 3.358 1.00 0.00 C ATOM 1024 C LYS B 65 -9.634 8.144 2.650 1.00 0.00 C ATOM 1025 O LYS B 65 -10.774 8.170 3.114 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.686 10.365 3.330 1.00 0.00 C ATOM 1027 CG LYS B 65 -7.575 11.156 4.009 1.00 0.00 C ATOM 1028 CD LYS B 65 -7.381 10.741 5.461 1.00 0.00 C ATOM 1029 CE LYS B 65 -6.348 11.617 6.158 1.00 0.00 C ATOM 1030 NZ LYS B 65 -6.123 11.210 7.571 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.010 8.996 1.875 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.452 8.528 4.400 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -8.768 10.691 2.293 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.634 10.601 3.814 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -6.642 11.012 3.464 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -7.809 12.220 3.965 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -8.332 10.807 5.990 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -7.064 9.699 5.504 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -5.405 11.566 5.613 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -6.677 12.656 6.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -5.413 11.835 8.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -7.016 11.283 8.100 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -5.783 10.228 7.599 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.328 7.516 1.519 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.312 6.730 0.784 1.00 0.00 C ATOM 1046 C TYR B 66 -10.308 5.298 1.299 1.00 0.00 C ATOM 1047 O TYR B 66 -9.274 4.628 1.263 1.00 0.00 O ATOM 1048 CB TYR B 66 -9.996 6.705 -0.716 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.043 8.045 -1.418 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -8.947 8.896 -1.398 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -11.168 8.444 -2.129 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -8.970 10.108 -2.058 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -11.196 9.654 -2.798 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.095 10.481 -2.759 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.114 11.685 -3.430 1.00 0.00 O ATOM 0 H TYR B 66 -8.403 7.537 1.091 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.288 7.192 0.934 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.002 6.279 -0.852 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -10.701 6.034 -1.206 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -8.060 8.605 -0.856 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -12.034 7.799 -2.160 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -8.110 10.760 -2.025 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -12.077 9.949 -3.349 1.00 0.00 H new ATOM 0 HH TYR B 66 -10.980 11.798 -3.875 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.460 4.824 1.759 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.580 3.456 2.265 1.00 0.00 C ATOM 1067 C ASN B 67 -11.353 2.441 1.150 1.00 0.00 C ATOM 1068 O ASN B 67 -10.981 1.300 1.409 1.00 0.00 O ATOM 1069 CB ASN B 67 -12.948 3.217 2.910 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.102 3.920 4.244 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -12.122 4.165 4.950 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.336 4.230 4.610 1.00 0.00 N ATOM 0 H ASN B 67 -12.325 5.364 1.793 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.811 3.325 3.026 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.729 3.561 2.232 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -13.096 2.146 3.050 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.502 4.689 5.506 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.120 4.010 3.996 1.00 0.00 H new ATOM 1079 N THR B 68 -11.571 2.869 -0.086 1.00 0.00 N ATOM 1080 CA THR B 68 -11.321 2.031 -1.250 1.00 0.00 C ATOM 1081 C THR B 68 -9.824 1.786 -1.379 1.00 0.00 C ATOM 1082 O THR B 68 -9.369 0.648 -1.517 1.00 0.00 O ATOM 1083 CB THR B 68 -11.857 2.715 -2.528 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.275 2.894 -2.424 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.530 1.911 -3.778 1.00 0.00 C ATOM 0 H THR B 68 -11.923 3.800 -0.309 1.00 0.00 H new ATOM 0 HA THR B 68 -11.837 1.079 -1.125 1.00 0.00 H new ATOM 0 HB THR B 68 -11.367 3.684 -2.618 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.610 3.329 -3.235 1.00 0.00 H new ATOM 0 HG21 THR B 68 -11.924 2.425 -4.655 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.449 1.809 -3.872 1.00 0.00 H new ATOM 0 HG23 THR B 68 -11.983 0.922 -3.703 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.073 2.869 -1.284 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.625 2.828 -1.348 1.00 0.00 C ATOM 1095 C VAL B 69 -7.061 1.969 -0.231 1.00 0.00 C ATOM 1096 O VAL B 69 -6.363 0.982 -0.474 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.056 4.252 -1.231 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -5.552 4.237 -1.039 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.430 5.057 -2.454 1.00 0.00 C ATOM 0 H VAL B 69 -9.454 3.807 -1.160 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.338 2.394 -2.306 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.491 4.721 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.185 5.260 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.307 3.693 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.081 3.747 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.024 6.065 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.021 4.578 -3.344 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -8.516 5.109 -2.537 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.399 2.356 0.988 1.00 0.00 N ATOM 1110 CA LYS B 70 -6.942 1.660 2.191 1.00 0.00 C ATOM 1111 C LYS B 70 -7.256 0.164 2.123 1.00 0.00 C ATOM 1112 O LYS B 70 -6.461 -0.665 2.560 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.600 2.264 3.434 1.00 0.00 C ATOM 1114 CG LYS B 70 -7.430 3.771 3.555 1.00 0.00 C ATOM 1115 CD LYS B 70 -8.290 4.341 4.675 1.00 0.00 C ATOM 1116 CE LYS B 70 -7.670 4.119 6.046 1.00 0.00 C ATOM 1117 NZ LYS B 70 -6.534 5.045 6.297 1.00 0.00 N1+ ATOM 0 H LYS B 70 -7.997 3.160 1.177 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.861 1.783 2.253 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.664 2.029 3.419 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -7.181 1.789 4.321 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -6.382 4.006 3.743 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -7.698 4.246 2.611 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -8.434 5.409 4.512 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -9.276 3.878 4.645 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -8.430 4.259 6.815 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -7.323 3.089 6.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -5.675 4.494 6.498 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -6.377 5.638 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -6.754 5.652 7.112 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.411 -0.172 1.552 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.853 -1.559 1.459 1.00 0.00 C ATOM 1133 C PHE B 71 -7.899 -2.386 0.606 1.00 0.00 C ATOM 1134 O PHE B 71 -7.415 -3.435 1.030 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.266 -1.625 0.872 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.686 -3.005 0.448 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.004 -3.968 1.389 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.749 -3.337 -0.895 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.380 -5.237 0.998 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.124 -4.603 -1.293 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.440 -5.555 -0.345 1.00 0.00 C ATOM 0 H PHE B 71 -9.059 0.502 1.145 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.860 -1.977 2.466 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -10.974 -1.252 1.612 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.323 -0.958 0.012 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -10.958 -3.724 2.440 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.501 -2.595 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.627 -5.981 1.741 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.170 -4.849 -2.344 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.734 -6.548 -0.653 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.638 -1.906 -0.600 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.806 -2.636 -1.546 1.00 0.00 C ATOM 1153 C HIS B 72 -5.373 -2.748 -1.039 1.00 0.00 C ATOM 1154 O HIS B 72 -4.717 -3.770 -1.232 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.820 -1.954 -2.915 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.178 -1.878 -3.544 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -8.977 -2.976 -3.765 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.881 -0.816 -3.988 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.114 -2.586 -4.311 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -10.082 -1.280 -4.462 1.00 0.00 N ATOM 0 H HIS B 72 -7.990 -1.014 -0.948 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.219 -3.640 -1.646 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.422 -0.945 -2.811 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -6.150 -2.493 -3.585 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -8.557 0.214 -3.973 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -10.934 -3.232 -4.588 1.00 0.00 H new ATOM 0 HE2 HIS B 72 -10.825 -0.708 -4.864 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.902 -1.702 -0.373 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.537 -1.674 0.132 1.00 0.00 C ATOM 1171 C LEU B 73 -3.380 -2.596 1.342 1.00 0.00 C ATOM 1172 O LEU B 73 -2.327 -3.196 1.542 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.134 -0.247 0.504 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.168 0.769 -0.640 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.752 2.142 -0.139 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.268 0.326 -1.783 1.00 0.00 C ATOM 0 H LEU B 73 -5.445 -0.863 -0.170 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.879 -2.032 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.795 0.103 1.297 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.125 -0.269 0.917 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.190 0.828 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.781 2.854 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.437 2.466 0.645 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.740 2.092 0.262 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.308 1.063 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.243 0.235 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.607 -0.639 -2.160 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.429 -2.717 2.144 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.390 -3.592 3.309 1.00 0.00 C ATOM 1190 C ALA B 74 -4.285 -5.049 2.886 1.00 0.00 C ATOM 1191 O ALA B 74 -3.655 -5.862 3.565 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.615 -3.382 4.177 1.00 0.00 C ATOM 0 H ALA B 74 -5.312 -2.224 2.011 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.505 -3.339 3.893 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.567 -4.045 5.041 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.648 -2.346 4.515 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.512 -3.604 3.600 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.886 -5.365 1.747 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.846 -6.718 1.211 1.00 0.00 C ATOM 1200 C LYS B 75 -3.417 -7.134 0.882 1.00 0.00 C ATOM 1201 O LYS B 75 -3.066 -8.306 1.006 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.728 -6.832 -0.031 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.213 -6.682 0.264 1.00 0.00 C ATOM 1204 CD LYS B 75 -8.059 -6.833 -0.991 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.868 -8.194 -1.640 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.780 -8.394 -2.797 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.408 -4.701 1.175 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.231 -7.392 1.976 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.430 -6.069 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.555 -7.800 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.515 -7.430 0.997 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.397 -5.705 0.711 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -9.110 -6.695 -0.739 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.796 -6.051 -1.703 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -6.835 -8.295 -1.972 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -8.044 -8.976 -0.901 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.616 -9.335 -3.210 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.767 -8.323 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.596 -7.664 -3.515 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.587 -6.175 0.485 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.206 -6.484 0.152 1.00 0.00 C ATOM 1222 C VAL B 76 -0.359 -6.524 1.419 1.00 0.00 C ATOM 1223 O VAL B 76 0.596 -7.291 1.513 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.606 -5.488 -0.873 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.603 -5.206 -1.984 1.00 0.00 C ATOM 1226 CG2 VAL B 76 -0.150 -4.191 -0.220 1.00 0.00 C ATOM 0 H VAL B 76 -2.843 -5.193 0.388 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.197 -7.466 -0.321 1.00 0.00 H new ATOM 0 HB VAL B 76 0.279 -5.959 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.166 -4.505 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.850 -6.136 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.509 -4.774 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.263 -3.527 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.000 -3.708 0.262 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.614 -4.408 0.526 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.744 -5.719 2.409 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.054 -5.688 3.694 1.00 0.00 C ATOM 1238 C TYR B 77 -0.107 -7.058 4.364 1.00 0.00 C ATOM 1239 O TYR B 77 0.853 -7.485 5.006 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.673 -4.619 4.606 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.150 -4.639 6.028 1.00 0.00 C ATOM 1242 CD1 TYR B 77 1.214 -4.634 6.290 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.024 -4.673 7.106 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.692 -4.660 7.586 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.553 -4.698 8.404 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.805 -4.692 8.638 1.00 0.00 C ATOM 1247 OH TYR B 77 1.279 -4.721 9.930 1.00 0.00 O ATOM 0 H TYR B 77 -1.534 -5.077 2.343 1.00 0.00 H new ATOM 0 HA TYR B 77 0.991 -5.432 3.519 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.484 -3.636 4.175 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.754 -4.756 4.626 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.913 -4.609 5.467 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.089 -4.680 6.927 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.756 -4.655 7.773 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.246 -4.722 9.232 1.00 0.00 H new ATOM 0 HH TYR B 77 0.524 -4.740 10.555 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.229 -7.748 4.195 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.393 -9.099 4.724 1.00 0.00 C ATOM 1259 C ARG B 78 -0.324 -10.027 4.162 1.00 0.00 C ATOM 1260 O ARG B 78 0.160 -10.930 4.842 1.00 0.00 O ATOM 1261 CB ARG B 78 -2.775 -9.637 4.376 1.00 0.00 C ATOM 1262 CG ARG B 78 -3.895 -8.776 4.916 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.246 -9.418 4.682 1.00 0.00 C ATOM 1264 NE ARG B 78 -6.342 -8.578 5.164 1.00 0.00 N ATOM 1265 CZ ARG B 78 -7.630 -8.814 4.915 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -7.985 -9.861 4.179 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -8.562 -8.004 5.402 1.00 0.00 N ATOM 0 H ARG B 78 -2.043 -7.393 3.693 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.288 -9.057 5.808 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -2.869 -9.709 3.292 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -2.877 -10.647 4.773 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.748 -8.612 5.984 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -3.867 -7.797 4.437 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -5.377 -9.609 3.617 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.281 -10.384 5.186 1.00 0.00 H new ATOM 0 HE ARG B 78 -6.106 -7.760 5.726 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.272 -10.486 3.803 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -8.971 -10.040 3.989 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -8.293 -7.199 5.968 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -9.547 -8.186 5.210 1.00 0.00 H new ATOM 1281 N ILE B 79 0.044 -9.771 2.918 1.00 0.00 N ATOM 1282 CA ILE B 79 1.035 -10.577 2.220 1.00 0.00 C ATOM 1283 C ILE B 79 2.435 -10.329 2.779 1.00 0.00 C ATOM 1284 O ILE B 79 3.173 -11.273 3.056 1.00 0.00 O ATOM 1285 CB ILE B 79 1.022 -10.288 0.706 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.400 -10.427 0.154 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.969 -11.231 -0.023 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.533 -10.010 -1.294 1.00 0.00 C ATOM 0 H ILE B 79 -0.333 -9.002 2.364 1.00 0.00 H new ATOM 0 HA ILE B 79 0.772 -11.623 2.378 1.00 0.00 H new ATOM 0 HB ILE B 79 1.361 -9.265 0.543 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -0.720 -11.464 0.255 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.076 -9.824 0.760 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.948 -11.014 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.982 -11.094 0.355 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.656 -12.262 0.144 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.567 -10.136 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.245 -8.964 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE B 79 0.117 -10.629 -1.912 1.00 0.00 H new ATOM 1300 N LEU B 80 2.796 -9.059 2.967 1.00 0.00 N ATOM 1301 CA LEU B 80 4.112 -8.717 3.513 1.00 0.00 C ATOM 1302 C LEU B 80 4.197 -9.077 4.990 1.00 0.00 C ATOM 1303 O LEU B 80 5.285 -9.143 5.560 1.00 0.00 O ATOM 1304 CB LEU B 80 4.447 -7.230 3.342 1.00 0.00 C ATOM 1305 CG LEU B 80 4.704 -6.744 1.911 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.464 -7.786 1.107 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.406 -6.363 1.225 1.00 0.00 C ATOM 0 H LEU B 80 2.203 -8.257 2.752 1.00 0.00 H new ATOM 0 HA LEU B 80 4.839 -9.299 2.947 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.626 -6.646 3.758 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.331 -7.009 3.941 1.00 0.00 H new ATOM 0 HG LEU B 80 5.326 -5.851 1.968 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.632 -7.414 0.096 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.423 -7.985 1.585 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.882 -8.707 1.063 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.617 -6.022 0.211 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.747 -7.230 1.186 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.920 -5.563 1.784 1.00 0.00 H new ATOM 1319 N SER B 81 3.047 -9.310 5.602 1.00 0.00 N ATOM 1320 CA SER B 81 2.989 -9.715 6.992 1.00 0.00 C ATOM 1321 C SER B 81 3.011 -11.239 7.077 1.00 0.00 C ATOM 1322 O SER B 81 2.635 -11.825 8.095 1.00 0.00 O ATOM 1323 CB SER B 81 1.727 -9.148 7.653 1.00 0.00 C ATOM 1324 OG SER B 81 1.720 -9.375 9.054 1.00 0.00 O ATOM 0 H SER B 81 2.136 -9.224 5.151 1.00 0.00 H new ATOM 0 HA SER B 81 3.855 -9.322 7.524 1.00 0.00 H new ATOM 0 HB2 SER B 81 1.664 -8.078 7.458 1.00 0.00 H new ATOM 0 HB3 SER B 81 0.845 -9.606 7.206 1.00 0.00 H new ATOM 0 HG SER B 81 1.933 -10.314 9.234 1.00 0.00 H new ATOM 1509 N LEU B 96 9.687 -13.852 -0.568 1.00 0.00 N ATOM 1510 CA LEU B 96 8.806 -14.404 -1.588 1.00 0.00 C ATOM 1511 C LEU B 96 7.471 -13.670 -1.555 1.00 0.00 C ATOM 1512 O LEU B 96 6.790 -13.542 -2.571 1.00 0.00 O ATOM 1513 CB LEU B 96 8.630 -15.926 -1.390 1.00 0.00 C ATOM 1514 CG LEU B 96 7.513 -16.391 -0.444 1.00 0.00 C ATOM 1515 CD1 LEU B 96 6.172 -16.449 -1.164 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.855 -17.750 0.136 1.00 0.00 C ATOM 0 HA LEU B 96 9.252 -14.260 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU B 96 8.452 -16.374 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.573 -16.329 -1.021 1.00 0.00 H new ATOM 0 HG LEU B 96 7.430 -15.667 0.366 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.400 -16.781 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU B 96 5.918 -15.458 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU B 96 6.236 -17.149 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU B 96 7.057 -18.071 0.805 1.00 0.00 H new ATOM 0 HD22 LEU B 96 7.964 -18.473 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU B 96 8.790 -17.683 0.692 1.00 0.00 H new ATOM 1528 N GLN B 97 7.122 -13.166 -0.376 1.00 0.00 N ATOM 1529 CA GLN B 97 5.864 -12.460 -0.178 1.00 0.00 C ATOM 1530 C GLN B 97 5.836 -11.168 -0.988 1.00 0.00 C ATOM 1531 O GLN B 97 4.775 -10.732 -1.433 1.00 0.00 O ATOM 1532 CB GLN B 97 5.655 -12.156 1.310 1.00 0.00 C ATOM 1533 CG GLN B 97 5.786 -13.380 2.210 1.00 0.00 C ATOM 1534 CD GLN B 97 4.539 -14.253 2.269 1.00 0.00 C ATOM 1535 OE1 GLN B 97 4.322 -14.957 3.254 1.00 0.00 O ATOM 1536 NE2 GLN B 97 3.692 -14.194 1.253 1.00 0.00 N ATOM 0 H GLN B 97 7.699 -13.235 0.462 1.00 0.00 H new ATOM 0 HA GLN B 97 5.053 -13.101 -0.525 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.381 -11.406 1.624 1.00 0.00 H new ATOM 0 HB3 GLN B 97 4.666 -11.719 1.447 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.622 -13.985 1.860 1.00 0.00 H new ATOM 0 HG3 GLN B 97 6.032 -13.049 3.219 1.00 0.00 H new ATOM 0 HE21 GLN B 97 3.900 -13.601 0.450 1.00 0.00 H new ATOM 0 HE22 GLN B 97 2.832 -14.742 1.274 1.00 0.00 H new ATOM 1545 N LYS B 98 7.009 -10.569 -1.192 1.00 0.00 N ATOM 1546 CA LYS B 98 7.117 -9.342 -1.980 1.00 0.00 C ATOM 1547 C LYS B 98 6.574 -9.551 -3.389 1.00 0.00 C ATOM 1548 O LYS B 98 5.904 -8.677 -3.934 1.00 0.00 O ATOM 1549 CB LYS B 98 8.568 -8.841 -2.044 1.00 0.00 C ATOM 1550 CG LYS B 98 8.972 -7.941 -0.881 1.00 0.00 C ATOM 1551 CD LYS B 98 9.035 -8.704 0.430 1.00 0.00 C ATOM 1552 CE LYS B 98 9.351 -7.792 1.606 1.00 0.00 C ATOM 1553 NZ LYS B 98 10.684 -7.143 1.478 1.00 0.00 N1+ ATOM 0 H LYS B 98 7.896 -10.913 -0.823 1.00 0.00 H new ATOM 0 HA LYS B 98 6.516 -8.582 -1.481 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.236 -9.702 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS B 98 8.711 -8.296 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS B 98 9.945 -7.495 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.258 -7.122 -0.791 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.082 -9.204 0.605 1.00 0.00 H new ATOM 0 HD3 LYS B 98 9.795 -9.482 0.360 1.00 0.00 H new ATOM 0 HE2 LYS B 98 8.582 -7.024 1.683 1.00 0.00 H new ATOM 0 HE3 LYS B 98 9.318 -8.370 2.530 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 10.905 -6.627 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 11.409 -7.870 1.312 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.671 -6.478 0.679 1.00 0.00 H new ATOM 1567 N GLU B 99 6.844 -10.720 -3.963 1.00 0.00 N ATOM 1568 CA GLU B 99 6.357 -11.044 -5.300 1.00 0.00 C ATOM 1569 C GLU B 99 4.838 -11.003 -5.325 1.00 0.00 C ATOM 1570 O GLU B 99 4.237 -10.273 -6.112 1.00 0.00 O ATOM 1571 CB GLU B 99 6.828 -12.436 -5.722 1.00 0.00 C ATOM 1572 CG GLU B 99 6.525 -12.775 -7.173 1.00 0.00 C ATOM 1573 CD GLU B 99 7.227 -11.856 -8.148 1.00 0.00 C ATOM 1574 OE1 GLU B 99 8.429 -12.069 -8.407 1.00 0.00 O ATOM 1575 OE2 GLU B 99 6.579 -10.925 -8.674 1.00 0.00 O1- ATOM 0 H GLU B 99 7.396 -11.457 -3.524 1.00 0.00 H new ATOM 0 HA GLU B 99 6.756 -10.306 -5.996 1.00 0.00 H new ATOM 0 HB2 GLU B 99 7.903 -12.510 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.356 -13.179 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU B 99 6.824 -13.804 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU B 99 5.449 -12.718 -7.338 1.00 0.00 H new ATOM 1582 N LEU B 100 4.223 -11.781 -4.440 1.00 0.00 N ATOM 1583 CA LEU B 100 2.769 -11.868 -4.374 1.00 0.00 C ATOM 1584 C LEU B 100 2.160 -10.497 -4.108 1.00 0.00 C ATOM 1585 O LEU B 100 1.102 -10.162 -4.641 1.00 0.00 O ATOM 1586 CB LEU B 100 2.321 -12.856 -3.287 1.00 0.00 C ATOM 1587 CG LEU B 100 2.489 -14.350 -3.611 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.776 -14.703 -4.907 1.00 0.00 C ATOM 1589 CD2 LEU B 100 3.957 -14.738 -3.688 1.00 0.00 C ATOM 0 H LEU B 100 4.710 -12.361 -3.757 1.00 0.00 H new ATOM 0 HA LEU B 100 2.417 -12.232 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU B 100 2.879 -12.639 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.270 -12.670 -3.068 1.00 0.00 H new ATOM 0 HG LEU B 100 2.035 -14.918 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.908 -15.764 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.713 -14.481 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU B 100 2.195 -14.116 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU B 100 4.041 -15.800 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.446 -14.157 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.438 -14.535 -2.731 1.00 0.00 H new ATOM 1601 N ALA B 101 2.846 -9.706 -3.295 1.00 0.00 N ATOM 1602 CA ALA B 101 2.399 -8.360 -2.981 1.00 0.00 C ATOM 1603 C ALA B 101 2.355 -7.498 -4.240 1.00 0.00 C ATOM 1604 O ALA B 101 1.344 -6.859 -4.525 1.00 0.00 O ATOM 1605 CB ALA B 101 3.304 -7.737 -1.929 1.00 0.00 C ATOM 0 H ALA B 101 3.718 -9.977 -2.840 1.00 0.00 H new ATOM 0 HA ALA B 101 1.388 -8.415 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA B 101 2.958 -6.728 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.278 -8.342 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.325 -7.694 -2.307 1.00 0.00 H new ATOM 1611 N VAL B 102 3.442 -7.509 -5.012 1.00 0.00 N ATOM 1612 CA VAL B 102 3.510 -6.739 -6.253 1.00 0.00 C ATOM 1613 C VAL B 102 2.448 -7.217 -7.238 1.00 0.00 C ATOM 1614 O VAL B 102 1.847 -6.418 -7.960 1.00 0.00 O ATOM 1615 CB VAL B 102 4.904 -6.833 -6.917 1.00 0.00 C ATOM 1616 CG1 VAL B 102 4.957 -5.991 -8.185 1.00 0.00 C ATOM 1617 CG2 VAL B 102 5.991 -6.399 -5.949 1.00 0.00 C ATOM 0 H VAL B 102 4.286 -8.042 -4.800 1.00 0.00 H new ATOM 0 HA VAL B 102 3.327 -5.697 -5.991 1.00 0.00 H new ATOM 0 HB VAL B 102 5.078 -7.874 -7.188 1.00 0.00 H new ATOM 0 HG11 VAL B 102 5.947 -6.072 -8.635 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.207 -6.348 -8.891 1.00 0.00 H new ATOM 0 HG13 VAL B 102 4.755 -4.949 -7.938 1.00 0.00 H new ATOM 0 HG21 VAL B 102 6.963 -6.473 -6.437 1.00 0.00 H new ATOM 0 HG22 VAL B 102 5.816 -5.367 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL B 102 5.975 -7.045 -5.071 1.00 0.00 H new ATOM 1627 N ASN B 103 2.200 -8.524 -7.238 1.00 0.00 N ATOM 1628 CA ASN B 103 1.185 -9.121 -8.104 1.00 0.00 C ATOM 1629 C ASN B 103 -0.186 -8.510 -7.844 1.00 0.00 C ATOM 1630 O ASN B 103 -1.020 -8.430 -8.747 1.00 0.00 O ATOM 1631 CB ASN B 103 1.122 -10.639 -7.902 1.00 0.00 C ATOM 1632 CG ASN B 103 2.119 -11.396 -8.758 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.814 -11.790 -9.885 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.317 -11.599 -8.240 1.00 0.00 N ATOM 0 H ASN B 103 2.690 -9.194 -6.645 1.00 0.00 H new ATOM 0 HA ASN B 103 1.469 -8.913 -9.135 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.306 -10.868 -6.852 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.116 -10.989 -8.132 1.00 0.00 H new ATOM 0 HD21 ASN B 103 4.027 -12.097 -8.777 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.532 -11.258 -7.303 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.413 -8.071 -6.613 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.665 -7.426 -6.257 1.00 0.00 C ATOM 1643 C TYR B 104 -1.707 -5.996 -6.779 1.00 0.00 C ATOM 1644 O TYR B 104 -2.675 -5.601 -7.421 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.881 -7.451 -4.744 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.630 -8.673 -4.257 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.159 -9.955 -4.514 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.814 -8.541 -3.540 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.846 -11.070 -4.072 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.505 -9.650 -3.093 1.00 0.00 C ATOM 1651 CZ TYR B 104 -4.019 -10.912 -3.361 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.710 -12.021 -2.920 1.00 0.00 O ATOM 0 H TYR B 104 0.255 -8.151 -5.846 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.474 -7.985 -6.727 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.912 -7.407 -4.247 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.431 -6.557 -4.449 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.241 -10.082 -5.068 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -4.200 -7.555 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.467 -12.059 -4.282 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.422 -9.529 -2.536 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.512 -11.735 -2.436 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.647 -5.228 -6.541 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.607 -3.837 -6.995 1.00 0.00 C ATOM 1664 C LEU B 105 -0.684 -3.756 -8.515 1.00 0.00 C ATOM 1665 O LEU B 105 -1.134 -2.755 -9.067 1.00 0.00 O ATOM 1666 CB LEU B 105 0.647 -3.100 -6.507 1.00 0.00 C ATOM 1667 CG LEU B 105 0.658 -2.686 -5.030 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.638 -1.985 -4.652 1.00 0.00 C ATOM 1669 CD2 LEU B 105 0.899 -3.884 -4.131 1.00 0.00 C ATOM 0 H LEU B 105 0.187 -5.538 -6.043 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.478 -3.346 -6.560 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.512 -3.737 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU B 105 0.776 -2.204 -7.115 1.00 0.00 H new ATOM 0 HG LEU B 105 1.479 -1.984 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.605 -1.702 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.761 -1.092 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.478 -2.658 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU B 105 0.902 -3.563 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.107 -4.617 -4.282 1.00 0.00 H new ATOM 0 HD23 LEU B 105 1.861 -4.334 -4.375 1.00 0.00 H new ATOM 1681 N ASN B 106 -0.260 -4.819 -9.187 1.00 0.00 N ATOM 1682 CA ASN B 106 -0.333 -4.881 -10.643 1.00 0.00 C ATOM 1683 C ASN B 106 -1.782 -4.919 -11.131 1.00 0.00 C ATOM 1684 O ASN B 106 -2.048 -4.704 -12.312 1.00 0.00 O ATOM 1685 CB ASN B 106 0.440 -6.089 -11.181 1.00 0.00 C ATOM 1686 CG ASN B 106 1.938 -5.839 -11.238 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.383 -4.707 -11.436 1.00 0.00 O ATOM 1688 ND2 ASN B 106 2.726 -6.890 -11.073 1.00 0.00 N ATOM 0 H ASN B 106 0.138 -5.650 -8.748 1.00 0.00 H new ATOM 0 HA ASN B 106 0.130 -3.973 -11.029 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.243 -6.954 -10.548 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.077 -6.334 -12.179 1.00 0.00 H new ATOM 0 HD21 ASN B 106 3.739 -6.778 -11.108 1.00 0.00 H new ATOM 0 HD22 ASN B 106 2.320 -7.812 -10.911 1.00 0.00 H new ATOM 1695 N THR B 107 -2.720 -5.184 -10.225 1.00 0.00 N ATOM 1696 CA THR B 107 -4.131 -5.175 -10.584 1.00 0.00 C ATOM 1697 C THR B 107 -4.750 -3.837 -10.197 1.00 0.00 C ATOM 1698 O THR B 107 -5.872 -3.515 -10.591 1.00 0.00 O ATOM 1699 CB THR B 107 -4.917 -6.327 -9.913 1.00 0.00 C ATOM 1700 OG1 THR B 107 -5.001 -6.137 -8.494 1.00 0.00 O ATOM 1701 CG2 THR B 107 -4.259 -7.665 -10.193 1.00 0.00 C ATOM 0 H THR B 107 -2.529 -5.405 -9.248 1.00 0.00 H new ATOM 0 HA THR B 107 -4.195 -5.322 -11.662 1.00 0.00 H new ATOM 0 HB THR B 107 -5.922 -6.321 -10.336 1.00 0.00 H new ATOM 0 HG1 THR B 107 -4.160 -5.756 -8.165 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.830 -8.459 -9.711 1.00 0.00 H new ATOM 0 HG22 THR B 107 -4.232 -7.839 -11.269 1.00 0.00 H new ATOM 0 HG23 THR B 107 -3.242 -7.660 -9.801 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.986 -3.061 -9.432 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.429 -1.764 -8.941 1.00 0.00 C ATOM 1711 C LEU B 108 -3.854 -0.634 -9.783 1.00 0.00 C ATOM 1712 O LEU B 108 -4.392 0.475 -9.805 1.00 0.00 O ATOM 1713 CB LEU B 108 -4.000 -1.560 -7.489 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.910 -2.163 -6.418 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -6.323 -1.620 -6.548 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -4.918 -3.678 -6.486 1.00 0.00 C ATOM 0 H LEU B 108 -3.044 -3.316 -9.137 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.517 -1.747 -9.009 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -3.002 -1.981 -7.366 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -3.919 -0.489 -7.304 1.00 0.00 H new ATOM 0 HG LEU B 108 -4.512 -1.874 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -6.955 -2.061 -5.777 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -6.309 -0.537 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -6.721 -1.872 -7.531 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -5.575 -4.074 -5.711 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -5.278 -3.996 -7.464 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -3.907 -4.054 -6.332 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.747 -0.918 -10.449 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.082 0.062 -11.291 1.00 0.00 C ATOM 1730 C ARG B 109 -2.890 0.294 -12.563 1.00 0.00 C ATOM 1731 O ARG B 109 -3.586 -0.608 -13.034 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.667 -0.421 -11.631 1.00 0.00 C ATOM 1733 CG ARG B 109 0.161 0.602 -12.389 1.00 0.00 C ATOM 1734 CD ARG B 109 1.589 0.132 -12.596 1.00 0.00 C ATOM 1735 NE ARG B 109 2.402 1.147 -13.264 1.00 0.00 N ATOM 1736 CZ ARG B 109 3.719 1.053 -13.437 1.00 0.00 C ATOM 1737 NH1 ARG B 109 4.376 -0.007 -12.986 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 4.378 2.027 -14.049 1.00 0.00 N ATOM 0 H ARG B 109 -2.287 -1.828 -10.422 1.00 0.00 H new ATOM 0 HA ARG B 109 -2.009 1.007 -10.753 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.150 -0.682 -10.708 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.736 -1.332 -12.226 1.00 0.00 H new ATOM 0 HG2 ARG B 109 -0.301 0.798 -13.357 1.00 0.00 H new ATOM 0 HG3 ARG B 109 0.165 1.544 -11.841 1.00 0.00 H new ATOM 0 HD2 ARG B 109 2.034 -0.114 -11.632 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.589 -0.782 -13.190 1.00 0.00 H new ATOM 0 HE ARG B 109 1.931 1.979 -13.620 1.00 0.00 H new ATOM 0 HH11 ARG B 109 3.873 -0.753 -12.505 1.00 0.00 H new ATOM 0 HH12 ARG B 109 5.385 -0.077 -13.120 1.00 0.00 H new ATOM 0 HH21 ARG B 109 3.876 2.848 -14.387 1.00 0.00 H new ATOM 0 HH22 ARG B 109 5.387 1.955 -14.182 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.798 1.512 -13.095 1.00 0.00 N ATOM 1753 CA TYR B 110 -3.524 1.918 -14.295 1.00 0.00 C ATOM 1754 C TYR B 110 -3.416 0.866 -15.395 1.00 0.00 C ATOM 1755 O TYR B 110 -2.341 0.644 -15.959 1.00 0.00 O ATOM 1756 CB TYR B 110 -2.979 3.265 -14.785 1.00 0.00 C ATOM 1757 CG TYR B 110 -3.617 3.781 -16.054 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -4.919 4.262 -16.057 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -2.908 3.799 -17.248 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -5.500 4.743 -17.214 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -3.479 4.277 -18.408 1.00 0.00 C ATOM 1762 CZ TYR B 110 -4.776 4.747 -18.388 1.00 0.00 C ATOM 1763 OH TYR B 110 -5.349 5.224 -19.544 1.00 0.00 O ATOM 0 H TYR B 110 -2.213 2.249 -12.702 1.00 0.00 H new ATOM 0 HA TYR B 110 -4.580 2.020 -14.045 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -3.118 4.006 -13.998 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -1.905 3.170 -14.947 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -5.488 4.260 -15.139 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -1.892 3.432 -17.268 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -6.514 5.113 -17.200 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -2.914 4.284 -19.328 1.00 0.00 H new ATOM 0 HH TYR B 110 -4.705 5.158 -20.280 1.00 0.00 H new ATOM 1773 N GLY B 111 -4.535 0.213 -15.680 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.562 -0.817 -16.695 1.00 0.00 C ATOM 1775 C GLY B 111 -4.973 -2.166 -16.141 1.00 0.00 C ATOM 1776 O GLY B 111 -5.236 -3.098 -16.898 1.00 0.00 O ATOM 0 H GLY B 111 -5.430 0.382 -15.221 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -5.254 -0.526 -17.485 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -3.575 -0.900 -17.150 1.00 0.00 H new ATOM 1780 N GLY B 112 -5.029 -2.276 -14.819 1.00 0.00 N ATOM 1781 CA GLY B 112 -5.433 -3.503 -14.196 1.00 0.00 C ATOM 1782 C GLY B 112 -6.932 -3.660 -14.190 1.00 0.00 C ATOM 1783 O GLY B 112 -7.663 -2.840 -14.748 1.00 0.00 O ATOM 0 H GLY B 112 -4.798 -1.524 -14.170 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -4.981 -4.344 -14.722 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -5.060 -3.531 -13.172 1.00 0.00 H new ATOM 1787 N ILE B 113 -7.386 -4.695 -13.526 1.00 0.00 N ATOM 1788 CA ILE B 113 -8.793 -5.063 -13.549 1.00 0.00 C ATOM 1789 C ILE B 113 -9.611 -4.245 -12.561 1.00 0.00 C ATOM 1790 O ILE B 113 -10.717 -3.809 -12.870 1.00 0.00 O ATOM 1791 CB ILE B 113 -8.978 -6.567 -13.274 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -8.281 -6.979 -11.971 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -8.433 -7.358 -14.448 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -8.451 -8.443 -11.625 1.00 0.00 C ATOM 0 H ILE B 113 -6.801 -5.306 -12.956 1.00 0.00 H new ATOM 0 HA ILE B 113 -9.161 -4.842 -14.551 1.00 0.00 H new ATOM 0 HB ILE B 113 -10.041 -6.779 -13.157 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -7.217 -6.755 -12.052 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -8.672 -6.374 -11.153 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -8.561 -8.424 -14.259 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -8.972 -7.082 -15.354 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -7.373 -7.137 -14.575 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -7.931 -8.659 -10.692 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -9.511 -8.669 -11.510 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -8.033 -9.056 -12.423 1.00 0.00 H new ATOM 1806 N HIS B 114 -9.067 -4.034 -11.375 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.744 -3.240 -10.363 1.00 0.00 C ATOM 1808 C HIS B 114 -8.862 -2.073 -9.970 1.00 0.00 C ATOM 1809 O HIS B 114 -8.691 -1.777 -8.790 1.00 0.00 O ATOM 1810 CB HIS B 114 -10.073 -4.089 -9.130 1.00 0.00 C ATOM 1811 CG HIS B 114 -10.888 -5.305 -9.439 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -10.571 -6.560 -8.971 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -12.015 -5.456 -10.176 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -11.464 -7.426 -9.405 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -12.350 -6.782 -10.135 1.00 0.00 N ATOM 0 H HIS B 114 -8.159 -4.401 -11.089 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.682 -2.869 -10.777 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -9.143 -4.397 -8.653 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.612 -3.474 -8.409 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.549 -4.676 -10.698 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -11.468 -8.486 -9.197 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -13.156 -7.204 -10.596 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.300 -1.417 -10.974 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.341 -0.358 -10.736 1.00 0.00 C ATOM 1826 C TYR B 115 -8.044 0.902 -10.255 1.00 0.00 C ATOM 1827 O TYR B 115 -9.190 1.174 -10.625 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.508 -0.081 -12.000 1.00 0.00 C ATOM 1829 CG TYR B 115 -7.018 1.045 -12.868 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.663 2.362 -12.597 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.844 0.798 -13.952 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -7.120 3.400 -13.376 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -8.307 1.832 -14.742 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.943 3.132 -14.450 1.00 0.00 C ATOM 1835 OH TYR B 115 -8.411 4.167 -15.231 1.00 0.00 O ATOM 0 H TYR B 115 -8.493 -1.602 -11.958 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.658 -0.683 -9.951 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.485 0.147 -11.700 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.470 -0.992 -12.598 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -6.016 2.574 -11.759 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -8.130 -0.218 -14.183 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -6.836 4.417 -13.148 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -8.951 1.625 -15.584 1.00 0.00 H new ATOM 0 HH TYR B 115 -7.666 4.565 -15.727 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.352 1.659 -9.425 1.00 0.00 N ATOM 1846 CA ASN B 116 -7.874 2.909 -8.903 1.00 0.00 C ATOM 1847 C ASN B 116 -6.880 4.019 -9.176 1.00 0.00 C ATOM 1848 O ASN B 116 -5.673 3.828 -9.023 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.102 2.818 -7.394 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.189 1.843 -6.991 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -9.126 1.255 -5.919 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -10.194 1.672 -7.831 1.00 0.00 N ATOM 0 H ASN B 116 -6.416 1.427 -9.094 1.00 0.00 H new ATOM 0 HA ASN B 116 -8.825 3.115 -9.394 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.169 2.524 -6.913 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.358 3.808 -7.016 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.953 1.032 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -10.212 2.180 -8.715 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.381 5.179 -9.569 1.00 0.00 N ATOM 1860 CA GLU B 117 -6.516 6.312 -9.848 1.00 0.00 C ATOM 1861 C GLU B 117 -5.898 6.837 -8.559 1.00 0.00 C ATOM 1862 O GLU B 117 -4.835 7.451 -8.583 1.00 0.00 O ATOM 1863 CB GLU B 117 -7.275 7.423 -10.577 1.00 0.00 C ATOM 1864 CG GLU B 117 -8.447 7.992 -9.796 1.00 0.00 C ATOM 1865 CD GLU B 117 -9.155 9.092 -10.552 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -8.753 10.267 -10.422 1.00 0.00 O1- ATOM 1867 OE2 GLU B 117 -10.113 8.788 -11.290 1.00 0.00 O ATOM 0 H GLU B 117 -8.376 5.360 -9.701 1.00 0.00 H new ATOM 0 HA GLU B 117 -5.715 5.972 -10.505 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -6.581 8.231 -10.808 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -7.641 7.035 -11.528 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.154 7.194 -9.572 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.092 8.380 -8.841 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.551 6.574 -7.428 1.00 0.00 N ATOM 1875 CA ALA B 118 -6.002 6.961 -6.138 1.00 0.00 C ATOM 1876 C ALA B 118 -4.827 6.063 -5.783 1.00 0.00 C ATOM 1877 O ALA B 118 -3.879 6.494 -5.134 1.00 0.00 O ATOM 1878 CB ALA B 118 -7.062 6.912 -5.046 1.00 0.00 C ATOM 0 H ALA B 118 -7.452 6.099 -7.382 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.653 7.991 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.619 7.207 -4.095 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.873 7.596 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.454 5.898 -4.965 1.00 0.00 H new ATOM 1884 N ILE B 119 -4.887 4.811 -6.229 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.785 3.884 -6.018 1.00 0.00 C ATOM 1886 C ILE B 119 -2.647 4.220 -6.968 1.00 0.00 C ATOM 1887 O ILE B 119 -1.474 4.161 -6.596 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.205 2.410 -6.225 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.378 2.047 -5.310 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -3.021 1.487 -5.959 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -5.010 1.961 -3.849 1.00 0.00 C ATOM 0 H ILE B 119 -5.682 4.420 -6.735 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.464 3.993 -4.982 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.527 2.284 -7.259 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.166 2.790 -5.433 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.791 1.090 -5.628 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.327 0.451 -6.107 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.210 1.728 -6.646 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.679 1.621 -4.933 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.893 1.700 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -4.245 1.197 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.626 2.924 -3.513 1.00 0.00 H new ATOM 1903 N GLU B 120 -3.002 4.583 -8.198 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.017 5.011 -9.177 1.00 0.00 C ATOM 1905 C GLU B 120 -1.270 6.242 -8.670 1.00 0.00 C ATOM 1906 O GLU B 120 -0.038 6.261 -8.637 1.00 0.00 O ATOM 1907 CB GLU B 120 -2.695 5.307 -10.516 1.00 0.00 C ATOM 1908 CG GLU B 120 -1.719 5.635 -11.632 1.00 0.00 C ATOM 1909 CD GLU B 120 -0.693 4.542 -11.846 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -1.071 3.445 -12.300 1.00 0.00 O ATOM 1911 OE2 GLU B 120 0.504 4.783 -11.584 1.00 0.00 O1- ATOM 0 H GLU B 120 -3.964 4.588 -8.536 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.297 4.207 -9.326 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -3.293 4.444 -10.810 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.383 6.143 -10.389 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -2.272 5.796 -12.558 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -1.207 6.569 -11.400 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.021 7.258 -8.247 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.424 8.462 -7.683 1.00 0.00 C ATOM 1920 C GLU B 121 -0.612 8.122 -6.440 1.00 0.00 C ATOM 1921 O GLU B 121 0.476 8.658 -6.238 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.494 9.503 -7.340 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.197 10.091 -8.553 1.00 0.00 C ATOM 1924 CD GLU B 121 -4.163 11.200 -8.183 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -3.708 12.345 -7.982 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -5.383 10.937 -8.094 1.00 0.00 O ATOM 0 H GLU B 121 -3.040 7.269 -8.285 1.00 0.00 H new ATOM 0 HA GLU B 121 -0.761 8.888 -8.436 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.238 9.043 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.031 10.311 -6.774 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -2.452 10.479 -9.248 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -3.738 9.301 -9.074 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.145 7.218 -5.620 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.468 6.769 -4.408 1.00 0.00 C ATOM 1935 C PHE B 122 0.932 6.279 -4.733 1.00 0.00 C ATOM 1936 O PHE B 122 1.915 6.769 -4.181 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.263 5.643 -3.745 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.655 5.128 -2.468 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -0.943 5.730 -1.254 1.00 0.00 C ATOM 1940 CD2 PHE B 122 0.204 4.039 -2.484 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.386 5.257 -0.082 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.763 3.562 -1.315 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.468 4.173 -0.112 1.00 0.00 C ATOM 0 H PHE B 122 -2.052 6.779 -5.777 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.399 7.613 -3.721 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.272 6.000 -3.536 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.357 4.816 -4.449 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.610 6.579 -1.224 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.438 3.558 -3.422 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -0.619 5.735 0.858 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.430 2.713 -1.341 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.905 3.803 0.804 1.00 0.00 H new ATOM 1953 N CYS B 123 1.003 5.316 -5.643 1.00 0.00 N ATOM 1954 CA CYS B 123 2.272 4.742 -6.057 1.00 0.00 C ATOM 1955 C CYS B 123 3.218 5.831 -6.540 1.00 0.00 C ATOM 1956 O CYS B 123 4.350 5.927 -6.073 1.00 0.00 O ATOM 1957 CB CYS B 123 2.045 3.718 -7.170 1.00 0.00 C ATOM 1958 SG CYS B 123 0.900 2.391 -6.730 1.00 0.00 S ATOM 0 H CYS B 123 0.189 4.915 -6.110 1.00 0.00 H new ATOM 0 HA CYS B 123 2.723 4.244 -5.199 1.00 0.00 H new ATOM 0 HB2 CYS B 123 1.665 4.234 -8.052 1.00 0.00 H new ATOM 0 HB3 CYS B 123 3.004 3.279 -7.446 1.00 0.00 H new ATOM 0 HG CYS B 123 -0.310 2.863 -6.673 1.00 0.00 H new ATOM 1964 N GLN B 124 2.724 6.677 -7.436 1.00 0.00 N ATOM 1965 CA GLN B 124 3.562 7.678 -8.090 1.00 0.00 C ATOM 1966 C GLN B 124 4.103 8.697 -7.096 1.00 0.00 C ATOM 1967 O GLN B 124 5.312 8.856 -6.973 1.00 0.00 O ATOM 1968 CB GLN B 124 2.792 8.390 -9.203 1.00 0.00 C ATOM 1969 CG GLN B 124 2.338 7.461 -10.315 1.00 0.00 C ATOM 1970 CD GLN B 124 3.471 6.635 -10.897 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.625 7.067 -10.932 1.00 0.00 O ATOM 1972 NE2 GLN B 124 3.150 5.439 -11.358 1.00 0.00 N ATOM 0 H GLN B 124 1.747 6.691 -7.727 1.00 0.00 H new ATOM 0 HA GLN B 124 4.410 7.151 -8.528 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.920 8.883 -8.773 1.00 0.00 H new ATOM 0 HB3 GLN B 124 3.422 9.171 -9.628 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.568 6.792 -9.930 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.880 8.051 -11.109 1.00 0.00 H new ATOM 0 HE21 GLN B 124 2.183 5.117 -11.311 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.869 4.838 -11.761 1.00 0.00 H new ATOM 1981 N ILE B 125 3.204 9.366 -6.377 1.00 0.00 N ATOM 1982 CA ILE B 125 3.588 10.409 -5.424 1.00 0.00 C ATOM 1983 C ILE B 125 4.551 9.861 -4.375 1.00 0.00 C ATOM 1984 O ILE B 125 5.535 10.508 -4.011 1.00 0.00 O ATOM 1985 CB ILE B 125 2.342 10.992 -4.714 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.368 11.566 -5.745 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.742 12.065 -3.707 1.00 0.00 C ATOM 1988 CD1 ILE B 125 0.005 11.886 -5.173 1.00 0.00 C ATOM 0 H ILE B 125 2.199 9.204 -6.436 1.00 0.00 H new ATOM 0 HA ILE B 125 4.084 11.199 -5.987 1.00 0.00 H new ATOM 0 HB ILE B 125 1.848 10.186 -4.172 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.796 12.473 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE B 125 1.253 10.853 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.849 12.459 -3.221 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.402 11.631 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE B 125 3.261 12.873 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.634 12.289 -5.959 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.443 10.977 -4.771 1.00 0.00 H new ATOM 0 HD13 ILE B 125 0.109 12.623 -4.376 1.00 0.00 H new ATOM 2000 N LEU B 126 4.268 8.654 -3.919 1.00 0.00 N ATOM 2001 CA LEU B 126 5.051 8.014 -2.876 1.00 0.00 C ATOM 2002 C LEU B 126 6.437 7.628 -3.387 1.00 0.00 C ATOM 2003 O LEU B 126 7.455 8.112 -2.885 1.00 0.00 O ATOM 2004 CB LEU B 126 4.298 6.779 -2.386 1.00 0.00 C ATOM 2005 CG LEU B 126 4.829 6.099 -1.129 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.594 4.840 -1.473 1.00 0.00 C ATOM 2007 CD2 LEU B 126 5.682 7.050 -0.299 1.00 0.00 C ATOM 0 H LEU B 126 3.490 8.090 -4.261 1.00 0.00 H new ATOM 0 HA LEU B 126 5.191 8.713 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.261 7.064 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.291 6.045 -3.191 1.00 0.00 H new ATOM 0 HG LEU B 126 3.970 5.814 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.961 4.376 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU B 126 4.935 4.145 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU B 126 6.438 5.091 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU B 126 6.044 6.533 0.589 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.531 7.389 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU B 126 5.082 7.909 0.001 1.00 0.00 H new ATOM 2019 N LEU B 127 6.467 6.765 -4.396 1.00 0.00 N ATOM 2020 CA LEU B 127 7.731 6.257 -4.930 1.00 0.00 C ATOM 2021 C LEU B 127 8.586 7.399 -5.463 1.00 0.00 C ATOM 2022 O LEU B 127 9.815 7.315 -5.470 1.00 0.00 O ATOM 2023 CB LEU B 127 7.498 5.194 -6.028 1.00 0.00 C ATOM 2024 CG LEU B 127 7.073 5.709 -7.417 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.283 6.097 -8.261 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.247 4.659 -8.144 1.00 0.00 C ATOM 0 H LEU B 127 5.635 6.402 -4.861 1.00 0.00 H new ATOM 0 HA LEU B 127 8.265 5.775 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.417 4.620 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.734 4.502 -5.674 1.00 0.00 H new ATOM 0 HG LEU B 127 6.464 6.601 -7.267 1.00 0.00 H new ATOM 0 HD11 LEU B 127 7.948 6.456 -9.234 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.841 6.885 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.926 5.227 -8.397 1.00 0.00 H new ATOM 0 HD21 LEU B 127 5.955 5.039 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.839 3.752 -8.269 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.354 4.432 -7.562 1.00 0.00 H new ATOM 2038 N ASP B 128 7.928 8.462 -5.904 1.00 0.00 N ATOM 2039 CA ASP B 128 8.610 9.622 -6.463 1.00 0.00 C ATOM 2040 C ASP B 128 9.592 10.195 -5.462 1.00 0.00 C ATOM 2041 O ASP B 128 10.752 10.458 -5.782 1.00 0.00 O ATOM 2042 CB ASP B 128 7.591 10.694 -6.833 1.00 0.00 C ATOM 2043 CG ASP B 128 8.207 11.848 -7.599 1.00 0.00 C ATOM 2044 OD1 ASP B 128 8.328 11.748 -8.838 1.00 0.00 O1- ATOM 2045 OD2 ASP B 128 8.577 12.860 -6.969 1.00 0.00 O ATOM 0 H ASP B 128 6.912 8.545 -5.885 1.00 0.00 H new ATOM 0 HA ASP B 128 9.152 9.305 -7.354 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.800 10.245 -7.434 1.00 0.00 H new ATOM 0 HB3 ASP B 128 7.124 11.074 -5.925 1.00 0.00 H new ATOM 2050 N LYS B 129 9.121 10.357 -4.239 1.00 0.00 N ATOM 2051 CA LYS B 129 9.921 10.956 -3.186 1.00 0.00 C ATOM 2052 C LYS B 129 10.922 9.945 -2.644 1.00 0.00 C ATOM 2053 O LYS B 129 12.002 10.310 -2.183 1.00 0.00 O ATOM 2054 CB LYS B 129 9.020 11.469 -2.064 1.00 0.00 C ATOM 2055 CG LYS B 129 7.807 12.242 -2.561 1.00 0.00 C ATOM 2056 CD LYS B 129 8.185 13.286 -3.596 1.00 0.00 C ATOM 2057 CE LYS B 129 6.955 13.856 -4.278 1.00 0.00 C ATOM 2058 NZ LYS B 129 7.307 14.688 -5.456 1.00 0.00 N1+ ATOM 0 H LYS B 129 8.183 10.080 -3.949 1.00 0.00 H new ATOM 0 HA LYS B 129 10.472 11.800 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.681 10.623 -1.466 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.604 12.111 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS B 129 7.086 11.548 -2.993 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.316 12.728 -1.718 1.00 0.00 H new ATOM 0 HD2 LYS B 129 8.744 14.090 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS B 129 8.843 12.840 -4.342 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.304 13.040 -4.592 1.00 0.00 H new ATOM 0 HE3 LYS B 129 6.391 14.457 -3.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 6.458 14.846 -6.035 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 7.683 15.603 -5.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 8.027 14.198 -6.024 1.00 0.00 H new ATOM 2072 N LEU B 130 10.560 8.670 -2.719 1.00 0.00 N ATOM 2073 CA LEU B 130 11.450 7.594 -2.299 1.00 0.00 C ATOM 2074 C LEU B 130 12.627 7.466 -3.257 1.00 0.00 C ATOM 2075 O LEU B 130 13.739 7.131 -2.853 1.00 0.00 O ATOM 2076 CB LEU B 130 10.686 6.272 -2.212 1.00 0.00 C ATOM 2077 CG LEU B 130 9.561 6.250 -1.178 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.873 4.904 -1.165 1.00 0.00 C ATOM 2079 CD2 LEU B 130 10.100 6.572 0.204 1.00 0.00 C ATOM 0 H LEU B 130 9.655 8.355 -3.067 1.00 0.00 H new ATOM 0 HA LEU B 130 11.838 7.836 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU B 130 10.265 6.047 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.392 5.475 -1.978 1.00 0.00 H new ATOM 0 HG LEU B 130 8.832 7.011 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU B 130 8.076 4.910 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU B 130 8.450 4.702 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.596 4.128 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.284 6.552 0.927 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.851 5.833 0.483 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.553 7.563 0.196 1.00 0.00 H new ATOM 2091 N ASN B 131 12.388 7.752 -4.528 1.00 0.00 N ATOM 2092 CA ASN B 131 13.456 7.736 -5.515 1.00 0.00 C ATOM 2093 C ASN B 131 14.174 9.076 -5.542 1.00 0.00 C ATOM 2094 O ASN B 131 15.233 9.215 -6.149 1.00 0.00 O ATOM 2095 CB ASN B 131 12.925 7.381 -6.907 1.00 0.00 C ATOM 2096 CG ASN B 131 12.623 5.900 -7.052 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.501 5.105 -7.384 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.380 5.516 -6.809 1.00 0.00 N ATOM 0 H ASN B 131 11.470 7.997 -4.898 1.00 0.00 H new ATOM 0 HA ASN B 131 14.168 6.963 -5.225 1.00 0.00 H new ATOM 0 HB2 ASN B 131 12.019 7.955 -7.104 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.658 7.675 -7.658 1.00 0.00 H new ATOM 0 HD21 ASN B 131 11.124 4.532 -6.895 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.678 6.204 -6.536 1.00 0.00 H new ATOM 2105 N ALA B 132 13.598 10.058 -4.862 1.00 0.00 N ATOM 2106 CA ALA B 132 14.199 11.382 -4.777 1.00 0.00 C ATOM 2107 C ALA B 132 15.107 11.498 -3.562 1.00 0.00 C ATOM 2108 O ALA B 132 15.820 12.486 -3.395 1.00 0.00 O ATOM 2109 CB ALA B 132 13.125 12.457 -4.742 1.00 0.00 C ATOM 0 H ALA B 132 12.715 9.963 -4.361 1.00 0.00 H new ATOM 0 HA ALA B 132 14.809 11.529 -5.668 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.595 13.439 -4.678 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.524 12.400 -5.649 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.485 12.304 -3.873 1.00 0.00 H new