USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=26 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 123 CYS SG : rot -15:sc= 2.07 USER MOD Set 1.2: B 124 GLN : amide:sc= 1.12 K(o=3.2,f=0.89) USER MOD Set 2.1: B 54 TYR OH : rot 30:sc= 0.195 USER MOD Set 2.2: B 61 GLN : amide:sc= 1.1 X(o=1.3,f=1.3) USER MOD Single : A 9 ASN : amide:sc= -0.78 X(o=-0.78,f=-0.38) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0342 F(o=-1.3!,f=-0.034) USER MOD Single : A 27 TYR OH : rot 165:sc= -0.0349 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.281 F(o=-1.4,f=-0.28) USER MOD Single : A 32 GLN : amide:sc= 0.187 K(o=0.19,f=-4.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ 165:sc= 0.847 (180deg=0.346) USER MOD Single : B 47 THR OG1 : rot 122:sc= 1.26 USER MOD Single : B 48 LYS NZ :NH3+ 176:sc= 1.32 (180deg=1.23) USER MOD Single : B 55 GLN : amide:sc= -0.54 X(o=-0.54,f=-0.99) USER MOD Single : B 56 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : B 57 SER OG : rot 80:sc= -1.12 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=-0.64) USER MOD Single : B 68 THR OG1 : rot 180:sc= -0.188 USER MOD Single : B 70 LYS NZ :NH3+ -130:sc= 1.66 (180deg=1.14) USER MOD Single : B 72 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.6!) 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 -87:sc= 1.09 USER MOD Single : B 97 GLN :FLIP amide:sc= -0.0839 F(o=-3!,f=-0.084) USER MOD Single : B 98 LYS NZ :NH3+ -163:sc= -0.0716 (180deg=-0.359) USER MOD Single : B 103 ASN : amide:sc= 1.23 K(o=1.2,f=-0.1) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.36) USER MOD Single : B 107 THR OG1 : rot 2:sc= 1.19 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=-0.014) USER MOD Single : B 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 116 ASN : amide:sc=-0.00652 K(o=-0.0065,f=-1.2) USER MOD Single : B 129 LYS NZ :NH3+ -153:sc= 1.21 (180deg=0.971) USER MOD Single : B 131 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 8 10.692 0.268 -7.393 1.00 0.00 N ATOM 104 CA GLU A 8 9.779 1.247 -6.820 1.00 0.00 C ATOM 105 C GLU A 8 8.721 0.551 -5.969 1.00 0.00 C ATOM 106 O GLU A 8 8.344 1.035 -4.904 1.00 0.00 O ATOM 107 CB GLU A 8 9.119 2.058 -7.939 1.00 0.00 C ATOM 108 CG GLU A 8 8.501 1.189 -9.027 1.00 0.00 C ATOM 109 CD GLU A 8 7.979 1.986 -10.201 1.00 0.00 C ATOM 110 OE1 GLU A 8 8.730 2.829 -10.730 1.00 0.00 O ATOM 111 OE2 GLU A 8 6.829 1.746 -10.626 1.00 0.00 O1- ATOM 0 HA GLU A 8 10.342 1.925 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.346 2.695 -7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.862 2.717 -8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.247 0.477 -9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.684 0.608 -8.599 1.00 0.00 H new ATOM 118 N ASN A 9 8.272 -0.607 -6.439 1.00 0.00 N ATOM 119 CA ASN A 9 7.260 -1.386 -5.738 1.00 0.00 C ATOM 120 C ASN A 9 7.810 -1.976 -4.453 1.00 0.00 C ATOM 121 O ASN A 9 7.103 -2.054 -3.455 1.00 0.00 O ATOM 122 CB ASN A 9 6.705 -2.491 -6.639 1.00 0.00 C ATOM 123 CG ASN A 9 7.780 -3.148 -7.478 1.00 0.00 C ATOM 124 OD1 ASN A 9 8.426 -4.103 -7.055 1.00 0.00 O ATOM 125 ND2 ASN A 9 7.972 -2.635 -8.682 1.00 0.00 N ATOM 0 H ASN A 9 8.596 -1.029 -7.309 1.00 0.00 H new ATOM 0 HA ASN A 9 6.446 -0.710 -5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.216 -3.246 -6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.942 -2.072 -7.295 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.680 -3.033 -9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.412 -1.841 -8.993 1.00 0.00 H new ATOM 132 N SER A 10 9.074 -2.373 -4.477 1.00 0.00 N ATOM 133 CA SER A 10 9.738 -2.886 -3.285 1.00 0.00 C ATOM 134 C SER A 10 9.692 -1.846 -2.162 1.00 0.00 C ATOM 135 O SER A 10 9.567 -2.187 -0.982 1.00 0.00 O ATOM 136 CB SER A 10 11.183 -3.255 -3.621 1.00 0.00 C ATOM 137 OG SER A 10 11.232 -4.101 -4.760 1.00 0.00 O ATOM 0 H SER A 10 9.662 -2.350 -5.310 1.00 0.00 H new ATOM 0 HA SER A 10 9.218 -3.780 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.761 -2.350 -3.809 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.643 -3.756 -2.769 1.00 0.00 H new ATOM 0 HG SER A 10 12.165 -4.325 -4.961 1.00 0.00 H new ATOM 143 N GLN A 11 9.766 -0.576 -2.552 1.00 0.00 N ATOM 144 CA GLN A 11 9.671 0.531 -1.610 1.00 0.00 C ATOM 145 C GLN A 11 8.216 0.761 -1.208 1.00 0.00 C ATOM 146 O GLN A 11 7.917 1.027 -0.043 1.00 0.00 O ATOM 147 CB GLN A 11 10.248 1.803 -2.234 1.00 0.00 C ATOM 148 CG GLN A 11 11.713 1.680 -2.621 1.00 0.00 C ATOM 149 CD GLN A 11 12.641 1.663 -1.419 1.00 0.00 C ATOM 150 OE1 GLN A 11 12.288 2.408 -0.381 1.00 0.00 O flip ATOM 151 NE2 GLN A 11 13.676 1.003 -1.430 1.00 0.00 N flip ATOM 0 H GLN A 11 9.893 -0.289 -3.522 1.00 0.00 H new ATOM 0 HA GLN A 11 10.246 0.281 -0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.667 2.059 -3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.135 2.627 -1.530 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.856 0.766 -3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.983 2.512 -3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.914 0.441 -2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.298 1.016 -0.622 1.00 0.00 H new ATOM 160 N LEU A 12 7.319 0.651 -2.188 1.00 0.00 N ATOM 161 CA LEU A 12 5.881 0.801 -1.957 1.00 0.00 C ATOM 162 C LEU A 12 5.394 -0.171 -0.885 1.00 0.00 C ATOM 163 O LEU A 12 4.679 0.215 0.038 1.00 0.00 O ATOM 164 CB LEU A 12 5.100 0.559 -3.252 1.00 0.00 C ATOM 165 CG LEU A 12 5.337 1.577 -4.371 1.00 0.00 C ATOM 166 CD1 LEU A 12 4.591 1.163 -5.626 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.905 2.967 -3.938 1.00 0.00 C ATOM 0 H LEU A 12 7.566 0.457 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 12 5.707 1.821 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.354 -0.432 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.036 0.547 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 12 6.405 1.603 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.768 1.896 -6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.945 0.185 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.523 1.110 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.083 3.673 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.843 2.958 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.478 3.270 -3.062 1.00 0.00 H new ATOM 179 N LEU A 13 5.808 -1.429 -1.012 1.00 0.00 N ATOM 180 CA LEU A 13 5.363 -2.495 -0.117 1.00 0.00 C ATOM 181 C LEU A 13 5.714 -2.190 1.329 1.00 0.00 C ATOM 182 O LEU A 13 4.873 -2.290 2.221 1.00 0.00 O ATOM 183 CB LEU A 13 6.012 -3.824 -0.500 1.00 0.00 C ATOM 184 CG LEU A 13 5.898 -4.222 -1.967 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.555 -5.570 -2.194 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.443 -4.243 -2.409 1.00 0.00 C ATOM 0 H LEU A 13 6.458 -1.738 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 13 4.280 -2.563 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.069 -3.779 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.566 -4.612 0.106 1.00 0.00 H new ATOM 0 HG LEU A 13 6.418 -3.479 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.468 -5.845 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.608 -5.512 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.061 -6.323 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.386 -4.530 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.890 -4.963 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.009 -3.252 -2.279 1.00 0.00 H new ATOM 198 N ASP A 14 6.965 -1.815 1.549 1.00 0.00 N ATOM 199 CA ASP A 14 7.477 -1.600 2.896 1.00 0.00 C ATOM 200 C ASP A 14 6.802 -0.390 3.534 1.00 0.00 C ATOM 201 O ASP A 14 6.619 -0.331 4.752 1.00 0.00 O ATOM 202 CB ASP A 14 8.995 -1.412 2.851 1.00 0.00 C ATOM 203 CG ASP A 14 9.657 -1.725 4.175 1.00 0.00 C ATOM 204 OD1 ASP A 14 9.421 -2.828 4.716 1.00 0.00 O ATOM 205 OD2 ASP A 14 10.436 -0.890 4.670 1.00 0.00 O1- ATOM 0 H ASP A 14 7.648 -1.652 0.809 1.00 0.00 H new ATOM 0 HA ASP A 14 7.252 -2.475 3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.415 -2.055 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.222 -0.384 2.569 1.00 0.00 H new ATOM 210 N PHE A 15 6.410 0.554 2.686 1.00 0.00 N ATOM 211 CA PHE A 15 5.695 1.751 3.111 1.00 0.00 C ATOM 212 C PHE A 15 4.284 1.387 3.572 1.00 0.00 C ATOM 213 O PHE A 15 3.871 1.730 4.680 1.00 0.00 O ATOM 214 CB PHE A 15 5.641 2.727 1.935 1.00 0.00 C ATOM 215 CG PHE A 15 5.111 4.095 2.257 1.00 0.00 C ATOM 216 CD1 PHE A 15 3.754 4.366 2.182 1.00 0.00 C ATOM 217 CD2 PHE A 15 5.979 5.122 2.590 1.00 0.00 C ATOM 218 CE1 PHE A 15 3.274 5.634 2.438 1.00 0.00 C ATOM 219 CE2 PHE A 15 5.506 6.393 2.839 1.00 0.00 C ATOM 220 CZ PHE A 15 4.151 6.650 2.764 1.00 0.00 C ATOM 0 H PHE A 15 6.580 0.510 1.681 1.00 0.00 H new ATOM 0 HA PHE A 15 6.212 2.216 3.950 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.646 2.832 1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.022 2.291 1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.065 3.576 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.039 4.925 2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.214 5.832 2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.194 7.186 3.092 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.778 7.644 2.960 1.00 0.00 H new ATOM 230 N ILE A 16 3.558 0.681 2.707 1.00 0.00 N ATOM 231 CA ILE A 16 2.218 0.190 3.022 1.00 0.00 C ATOM 232 C ILE A 16 2.246 -0.653 4.293 1.00 0.00 C ATOM 233 O ILE A 16 1.355 -0.568 5.143 1.00 0.00 O ATOM 234 CB ILE A 16 1.657 -0.667 1.864 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.607 0.148 0.571 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.271 -1.199 2.206 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.317 -0.686 -0.659 1.00 0.00 C ATOM 0 H ILE A 16 3.881 0.434 1.771 1.00 0.00 H new ATOM 0 HA ILE A 16 1.574 1.057 3.170 1.00 0.00 H new ATOM 0 HB ILE A 16 2.324 -1.516 1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.842 0.919 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.560 0.660 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.103 -1.799 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.329 -1.816 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.406 -0.363 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.296 -0.042 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.095 -1.440 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.350 -1.177 -0.546 1.00 0.00 H new ATOM 249 N ARG A 17 3.293 -1.452 4.411 1.00 0.00 N ATOM 250 CA ARG A 17 3.481 -2.328 5.553 1.00 0.00 C ATOM 251 C ARG A 17 3.587 -1.522 6.846 1.00 0.00 C ATOM 252 O ARG A 17 2.968 -1.868 7.853 1.00 0.00 O ATOM 253 CB ARG A 17 4.733 -3.171 5.334 1.00 0.00 C ATOM 254 CG ARG A 17 4.954 -4.250 6.373 1.00 0.00 C ATOM 255 CD ARG A 17 6.120 -5.130 5.976 1.00 0.00 C ATOM 256 NE ARG A 17 6.396 -6.170 6.963 1.00 0.00 N ATOM 257 CZ ARG A 17 7.442 -6.993 6.903 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.334 -6.868 5.923 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 7.603 -7.931 7.831 1.00 0.00 N ATOM 0 H ARG A 17 4.037 -1.511 3.716 1.00 0.00 H new ATOM 0 HA ARG A 17 2.617 -2.985 5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.674 -3.638 4.351 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.601 -2.512 5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.147 -3.795 7.344 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.053 -4.854 6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.909 -5.594 5.013 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.009 -4.513 5.845 1.00 0.00 H new ATOM 0 HE ARG A 17 5.749 -6.273 7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.217 -6.141 5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.134 -7.499 5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.926 -8.020 8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.404 -8.561 7.785 1.00 0.00 H new ATOM 273 N GLU A 18 4.361 -0.443 6.808 1.00 0.00 N ATOM 274 CA GLU A 18 4.503 0.430 7.968 1.00 0.00 C ATOM 275 C GLU A 18 3.183 1.108 8.315 1.00 0.00 C ATOM 276 O GLU A 18 2.882 1.310 9.491 1.00 0.00 O ATOM 277 CB GLU A 18 5.591 1.481 7.741 1.00 0.00 C ATOM 278 CG GLU A 18 6.987 0.888 7.719 1.00 0.00 C ATOM 279 CD GLU A 18 8.084 1.935 7.816 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.818 3.038 8.335 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 9.225 1.646 7.391 1.00 0.00 O ATOM 0 H GLU A 18 4.898 -0.153 5.991 1.00 0.00 H new ATOM 0 HA GLU A 18 4.799 -0.197 8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.404 1.993 6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.533 2.233 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.090 0.186 8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.118 0.318 6.799 1.00 0.00 H new ATOM 288 N LEU A 19 2.393 1.442 7.296 1.00 0.00 N ATOM 289 CA LEU A 19 1.096 2.073 7.521 1.00 0.00 C ATOM 290 C LEU A 19 0.227 1.191 8.400 1.00 0.00 C ATOM 291 O LEU A 19 -0.300 1.631 9.422 1.00 0.00 O ATOM 292 CB LEU A 19 0.348 2.317 6.202 1.00 0.00 C ATOM 293 CG LEU A 19 1.080 3.140 5.151 1.00 0.00 C ATOM 294 CD1 LEU A 19 0.258 3.219 3.872 1.00 0.00 C ATOM 295 CD2 LEU A 19 1.379 4.533 5.668 1.00 0.00 C ATOM 0 H LEU A 19 2.626 1.288 6.315 1.00 0.00 H new ATOM 0 HA LEU A 19 1.287 3.030 8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.100 1.349 5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.594 2.815 6.431 1.00 0.00 H new ATOM 0 HG LEU A 19 2.026 2.645 4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.795 3.811 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.092 2.214 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.702 3.689 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.902 5.102 4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.445 5.036 5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.005 4.464 6.558 1.00 0.00 H new ATOM 307 N GLY A 20 0.083 -0.058 7.992 1.00 0.00 N ATOM 308 CA GLY A 20 -0.772 -0.974 8.710 1.00 0.00 C ATOM 309 C GLY A 20 -0.201 -1.383 10.046 1.00 0.00 C ATOM 310 O GLY A 20 -0.943 -1.764 10.949 1.00 0.00 O ATOM 0 H GLY A 20 0.545 -0.454 7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.746 -0.510 8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.935 -1.864 8.102 1.00 0.00 H new ATOM 314 N ASP A 21 1.113 -1.291 10.188 1.00 0.00 N ATOM 315 CA ASP A 21 1.766 -1.724 11.414 1.00 0.00 C ATOM 316 C ASP A 21 1.543 -0.725 12.546 1.00 0.00 C ATOM 317 O ASP A 21 1.491 -1.103 13.717 1.00 0.00 O ATOM 318 CB ASP A 21 3.258 -1.931 11.176 1.00 0.00 C ATOM 319 CG ASP A 21 3.946 -2.551 12.371 1.00 0.00 C ATOM 320 OD1 ASP A 21 3.638 -3.713 12.704 1.00 0.00 O ATOM 321 OD2 ASP A 21 4.818 -1.896 12.964 1.00 0.00 O1- ATOM 0 H ASP A 21 1.744 -0.923 9.476 1.00 0.00 H new ATOM 0 HA ASP A 21 1.320 -2.673 11.713 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.400 -2.571 10.305 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.724 -0.973 10.947 1.00 0.00 H new ATOM 326 N VAL A 22 1.398 0.549 12.201 1.00 0.00 N ATOM 327 CA VAL A 22 1.163 1.578 13.206 1.00 0.00 C ATOM 328 C VAL A 22 -0.320 1.917 13.302 1.00 0.00 C ATOM 329 O VAL A 22 -0.777 2.462 14.306 1.00 0.00 O ATOM 330 CB VAL A 22 1.970 2.867 12.934 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.460 2.606 13.069 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.653 3.432 11.558 1.00 0.00 C ATOM 0 H VAL A 22 1.439 0.892 11.241 1.00 0.00 H new ATOM 0 HA VAL A 22 1.505 1.164 14.154 1.00 0.00 H new ATOM 0 HB VAL A 22 1.678 3.607 13.680 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.010 3.527 12.873 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.679 2.260 14.079 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.762 1.843 12.351 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.235 4.339 11.394 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.906 2.696 10.795 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.590 3.667 11.497 1.00 0.00 H new ATOM 342 N GLY A 23 -1.068 1.591 12.256 1.00 0.00 N ATOM 343 CA GLY A 23 -2.503 1.790 12.289 1.00 0.00 C ATOM 344 C GLY A 23 -2.971 2.945 11.424 1.00 0.00 C ATOM 345 O GLY A 23 -3.994 3.567 11.706 1.00 0.00 O ATOM 0 H GLY A 23 -0.708 1.194 11.388 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.997 0.876 11.960 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.814 1.967 13.318 1.00 0.00 H new ATOM 349 N LEU A 24 -2.225 3.237 10.370 1.00 0.00 N ATOM 350 CA LEU A 24 -2.591 4.297 9.439 1.00 0.00 C ATOM 351 C LEU A 24 -3.328 3.727 8.237 1.00 0.00 C ATOM 352 O LEU A 24 -4.152 4.400 7.620 1.00 0.00 O ATOM 353 CB LEU A 24 -1.339 5.055 8.998 1.00 0.00 C ATOM 354 CG LEU A 24 -0.729 5.933 10.087 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.688 6.343 9.738 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.591 7.162 10.305 1.00 0.00 C ATOM 0 H LEU A 24 -1.358 2.753 10.136 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.262 4.992 9.944 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.591 4.336 8.663 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.588 5.679 8.140 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.691 5.351 11.008 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.093 6.967 10.534 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.307 5.453 9.625 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.685 6.904 8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.149 7.783 11.084 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.653 7.732 9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.591 6.855 10.610 1.00 0.00 H new ATOM 368 N LEU A 25 -3.040 2.475 7.915 1.00 0.00 N ATOM 369 CA LEU A 25 -3.705 1.806 6.809 1.00 0.00 C ATOM 370 C LEU A 25 -5.015 1.181 7.278 1.00 0.00 C ATOM 371 O LEU A 25 -5.921 0.942 6.480 1.00 0.00 O ATOM 372 CB LEU A 25 -2.791 0.735 6.219 1.00 0.00 C ATOM 373 CG LEU A 25 -3.358 -0.030 5.026 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.655 0.917 3.876 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.387 -1.114 4.591 1.00 0.00 C ATOM 0 H LEU A 25 -2.351 1.903 8.404 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.928 2.543 6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.857 1.207 5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.546 0.019 7.004 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.294 -0.502 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.058 0.353 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.384 1.661 4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.736 1.417 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.802 -1.653 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.438 -0.659 4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.223 -1.808 5.415 1.00 0.00 H new ATOM 387 N GLU A 26 -5.100 0.944 8.581 1.00 0.00 N ATOM 388 CA GLU A 26 -6.269 0.325 9.192 1.00 0.00 C ATOM 389 C GLU A 26 -7.547 1.098 8.871 1.00 0.00 C ATOM 390 O GLU A 26 -7.568 2.332 8.897 1.00 0.00 O ATOM 391 CB GLU A 26 -6.068 0.222 10.700 1.00 0.00 C ATOM 392 CG GLU A 26 -5.071 -0.852 11.100 1.00 0.00 C ATOM 393 CD GLU A 26 -5.076 -1.132 12.587 1.00 0.00 C ATOM 394 OE1 GLU A 26 -4.315 -0.476 13.327 1.00 0.00 O1- ATOM 395 OE2 GLU A 26 -5.839 -2.025 13.019 1.00 0.00 O ATOM 0 H GLU A 26 -4.360 1.176 9.244 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.382 -0.676 8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.727 1.185 11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.027 0.013 11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.299 -1.772 10.561 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.071 -0.544 10.796 1.00 0.00 H new ATOM 402 N TYR A 27 -8.609 0.360 8.574 1.00 0.00 N ATOM 403 CA TYR A 27 -9.853 0.948 8.098 1.00 0.00 C ATOM 404 C TYR A 27 -11.054 0.145 8.592 1.00 0.00 C ATOM 405 O TYR A 27 -10.898 -0.874 9.267 1.00 0.00 O ATOM 406 CB TYR A 27 -9.857 0.984 6.564 1.00 0.00 C ATOM 407 CG TYR A 27 -9.807 -0.391 5.932 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.598 -1.041 5.732 1.00 0.00 C ATOM 409 CD2 TYR A 27 -10.971 -1.044 5.550 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.552 -2.300 5.170 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.930 -2.303 4.986 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.718 -2.927 4.798 1.00 0.00 C ATOM 413 OH TYR A 27 -9.674 -4.184 4.239 1.00 0.00 O ATOM 0 H TYR A 27 -8.632 -0.656 8.656 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.926 1.963 8.489 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.754 1.501 6.222 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.002 1.566 6.219 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.678 -0.554 6.021 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.925 -0.559 5.697 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.602 -2.792 5.022 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.845 -2.796 4.693 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.570 -4.581 4.255 1.00 0.00 H new ATOM 423 N GLU A 28 -12.244 0.614 8.245 1.00 0.00 N ATOM 424 CA GLU A 28 -13.477 -0.081 8.562 1.00 0.00 C ATOM 425 C GLU A 28 -14.469 0.142 7.431 1.00 0.00 C ATOM 426 O GLU A 28 -14.570 1.247 6.897 1.00 0.00 O ATOM 427 CB GLU A 28 -14.063 0.416 9.885 1.00 0.00 C ATOM 428 CG GLU A 28 -15.291 -0.360 10.335 1.00 0.00 C ATOM 429 CD GLU A 28 -15.004 -1.832 10.550 1.00 0.00 C ATOM 430 OE1 GLU A 28 -14.563 -2.199 11.662 1.00 0.00 O ATOM 431 OE2 GLU A 28 -15.215 -2.630 9.611 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.379 1.487 7.736 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.270 -1.146 8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.298 0.351 10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.325 1.469 9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.669 0.072 11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.078 -0.252 9.588 1.00 0.00 H new ATOM 438 N LEU A 29 -15.186 -0.900 7.056 1.00 0.00 N ATOM 439 CA LEU A 29 -16.115 -0.815 5.940 1.00 0.00 C ATOM 440 C LEU A 29 -17.536 -1.103 6.382 1.00 0.00 C ATOM 441 O LEU A 29 -17.790 -2.059 7.115 1.00 0.00 O ATOM 442 CB LEU A 29 -15.731 -1.805 4.843 1.00 0.00 C ATOM 443 CG LEU A 29 -14.303 -1.684 4.326 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.006 -2.816 3.366 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.085 -0.337 3.652 1.00 0.00 C ATOM 0 H LEU A 29 -15.145 -1.815 7.505 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.061 0.203 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.878 -2.816 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.415 -1.676 4.005 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.618 -1.750 5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.983 -2.724 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.122 -3.770 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.698 -2.771 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.059 -0.273 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.772 -0.235 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.268 0.463 4.370 1.00 0.00 H new ATOM 457 N SER A 30 -18.455 -0.268 5.933 1.00 0.00 N ATOM 458 CA SER A 30 -19.870 -0.528 6.118 1.00 0.00 C ATOM 459 C SER A 30 -20.364 -1.403 4.979 1.00 0.00 C ATOM 460 O SER A 30 -19.623 -1.635 4.025 1.00 0.00 O ATOM 461 CB SER A 30 -20.660 0.777 6.150 1.00 0.00 C ATOM 462 OG SER A 30 -20.156 1.663 7.136 1.00 0.00 O ATOM 0 H SER A 30 -18.246 0.598 5.436 1.00 0.00 H new ATOM 0 HA SER A 30 -20.017 -1.038 7.070 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.615 1.255 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.710 0.564 6.353 1.00 0.00 H new ATOM 0 HG SER A 30 -20.681 2.490 7.131 1.00 0.00 H new ATOM 468 N GLN A 31 -21.592 -1.879 5.058 1.00 0.00 N ATOM 469 CA GLN A 31 -22.134 -2.734 4.024 1.00 0.00 C ATOM 470 C GLN A 31 -22.098 -2.029 2.670 1.00 0.00 C ATOM 471 O GLN A 31 -21.744 -2.629 1.656 1.00 0.00 O ATOM 472 CB GLN A 31 -23.559 -3.130 4.390 1.00 0.00 C ATOM 473 CG GLN A 31 -24.082 -4.288 3.573 1.00 0.00 C ATOM 474 CD GLN A 31 -23.213 -5.524 3.682 1.00 0.00 C ATOM 475 OE1 GLN A 31 -22.574 -5.700 4.826 1.00 0.00 O flip ATOM 476 NE2 GLN A 31 -23.119 -6.319 2.746 1.00 0.00 N flip ATOM 0 H GLN A 31 -22.232 -1.687 5.829 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.524 -3.634 3.947 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -23.596 -3.393 5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.215 -2.271 4.252 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -25.093 -4.530 3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -24.149 -3.988 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -23.628 -6.148 1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.532 -7.148 2.838 1.00 0.00 H new ATOM 485 N GLN A 32 -22.421 -0.741 2.677 1.00 0.00 N ATOM 486 CA GLN A 32 -22.402 0.073 1.482 1.00 0.00 C ATOM 487 C GLN A 32 -20.988 0.160 0.911 1.00 0.00 C ATOM 488 O GLN A 32 -20.787 0.079 -0.301 1.00 0.00 O ATOM 489 CB GLN A 32 -22.927 1.470 1.813 1.00 0.00 C ATOM 490 CG GLN A 32 -24.432 1.545 2.061 1.00 0.00 C ATOM 491 CD GLN A 32 -24.867 0.842 3.333 1.00 0.00 C ATOM 492 OE1 GLN A 32 -24.106 0.750 4.298 1.00 0.00 O ATOM 493 NE2 GLN A 32 -26.092 0.345 3.345 1.00 0.00 N ATOM 0 H GLN A 32 -22.703 -0.237 3.517 1.00 0.00 H new ATOM 0 HA GLN A 32 -23.043 -0.386 0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -22.408 1.838 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -22.674 2.142 0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -24.733 2.591 2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -24.955 1.103 1.213 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -26.690 0.443 2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -26.439 -0.136 4.175 1.00 0.00 H new ATOM 502 N GLU A 33 -20.011 0.307 1.796 1.00 0.00 N ATOM 503 CA GLU A 33 -18.610 0.365 1.396 1.00 0.00 C ATOM 504 C GLU A 33 -18.148 -0.984 0.856 1.00 0.00 C ATOM 505 O GLU A 33 -17.317 -1.055 -0.043 1.00 0.00 O ATOM 506 CB GLU A 33 -17.736 0.773 2.583 1.00 0.00 C ATOM 507 CG GLU A 33 -17.962 2.201 3.045 1.00 0.00 C ATOM 508 CD GLU A 33 -17.489 3.221 2.031 1.00 0.00 C ATOM 509 OE1 GLU A 33 -18.258 3.559 1.111 1.00 0.00 O1- ATOM 510 OE2 GLU A 33 -16.338 3.688 2.147 1.00 0.00 O ATOM 0 H GLU A 33 -20.164 0.389 2.801 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.512 1.111 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.930 0.096 3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.688 0.650 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -19.024 2.353 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.439 2.361 3.988 1.00 0.00 H new ATOM 517 N LYS A 34 -18.707 -2.052 1.402 1.00 0.00 N ATOM 518 CA LYS A 34 -18.340 -3.398 0.995 1.00 0.00 C ATOM 519 C LYS A 34 -18.934 -3.715 -0.369 1.00 0.00 C ATOM 520 O LYS A 34 -18.377 -4.493 -1.143 1.00 0.00 O ATOM 521 CB LYS A 34 -18.827 -4.412 2.031 1.00 0.00 C ATOM 522 CG LYS A 34 -18.093 -4.322 3.357 1.00 0.00 C ATOM 523 CD LYS A 34 -18.638 -5.321 4.360 1.00 0.00 C ATOM 524 CE LYS A 34 -17.917 -5.218 5.692 1.00 0.00 C ATOM 525 NZ LYS A 34 -18.478 -6.158 6.695 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.419 -2.012 2.131 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.254 -3.460 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.893 -4.260 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.709 -5.418 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.030 -4.505 3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.186 -3.313 3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.704 -5.147 4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.532 -6.331 3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.857 -5.428 5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.992 -4.198 6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.960 -6.059 7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.483 -5.941 6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.384 -7.134 6.347 1.00 0.00 H new ATOM 539 N ASP A 35 -20.051 -3.070 -0.663 1.00 0.00 N ATOM 540 CA ASP A 35 -20.791 -3.311 -1.893 1.00 0.00 C ATOM 541 C ASP A 35 -19.996 -2.868 -3.112 1.00 0.00 C ATOM 542 O ASP A 35 -20.052 -3.500 -4.167 1.00 0.00 O ATOM 543 CB ASP A 35 -22.124 -2.564 -1.838 1.00 0.00 C ATOM 544 CG ASP A 35 -22.997 -2.824 -3.050 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.718 -3.846 -3.064 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -22.977 -2.004 -3.991 1.00 0.00 O ATOM 0 H ASP A 35 -20.471 -2.365 -0.057 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.971 -4.382 -1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.663 -2.859 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.932 -1.494 -1.758 1.00 0.00 H new ATOM 551 N VAL A 36 -19.251 -1.790 -2.963 1.00 0.00 N ATOM 552 CA VAL A 36 -18.471 -1.252 -4.066 1.00 0.00 C ATOM 553 C VAL A 36 -17.122 -1.958 -4.189 1.00 0.00 C ATOM 554 O VAL A 36 -16.494 -1.935 -5.247 1.00 0.00 O ATOM 555 CB VAL A 36 -18.249 0.265 -3.906 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.582 0.982 -3.781 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.367 0.560 -2.703 1.00 0.00 C ATOM 0 H VAL A 36 -19.168 -1.268 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.043 -1.429 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.738 0.633 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.410 2.052 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.177 0.802 -4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.117 0.607 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.225 1.637 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.844 0.179 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.399 0.076 -2.834 1.00 0.00 H new ATOM 567 N LEU A 37 -16.677 -2.580 -3.103 1.00 0.00 N ATOM 568 CA LEU A 37 -15.366 -3.224 -3.073 1.00 0.00 C ATOM 569 C LEU A 37 -15.463 -4.705 -3.399 1.00 0.00 C ATOM 570 O LEU A 37 -14.788 -5.201 -4.301 1.00 0.00 O ATOM 571 CB LEU A 37 -14.726 -3.034 -1.700 1.00 0.00 C ATOM 572 CG LEU A 37 -14.616 -1.580 -1.261 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.947 -1.470 0.096 1.00 0.00 C ATOM 574 CD2 LEU A 37 -13.861 -0.776 -2.297 1.00 0.00 C ATOM 0 H LEU A 37 -17.203 -2.653 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.744 -2.754 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.309 -3.583 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.729 -3.475 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.623 -1.173 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.881 -0.421 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.534 -2.014 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.945 -1.895 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.789 0.262 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.859 -1.188 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.390 -0.822 -3.249 1.00 0.00 H new ATOM 659 N LYS B 43 -0.499 8.650 14.620 1.00 0.00 N ATOM 660 CA LYS B 43 0.757 7.925 14.533 1.00 0.00 C ATOM 661 C LYS B 43 1.538 8.329 13.296 1.00 0.00 C ATOM 662 O LYS B 43 0.994 8.892 12.344 1.00 0.00 O ATOM 663 CB LYS B 43 0.544 6.410 14.504 1.00 0.00 C ATOM 664 CG LYS B 43 -0.465 5.947 13.472 1.00 0.00 C ATOM 665 CD LYS B 43 -1.830 5.692 14.087 1.00 0.00 C ATOM 666 CE LYS B 43 -2.909 6.535 13.432 1.00 0.00 C ATOM 667 NZ LYS B 43 -4.241 6.324 14.056 1.00 0.00 N1+ ATOM 0 HA LYS B 43 1.322 8.185 15.428 1.00 0.00 H new ATOM 0 HB2 LYS B 43 1.499 5.923 14.307 1.00 0.00 H new ATOM 0 HB3 LYS B 43 0.216 6.081 15.490 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.555 6.700 12.689 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -0.105 5.035 12.997 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -2.082 4.636 13.987 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -1.795 5.911 15.154 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -2.639 7.588 13.504 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -2.964 6.292 12.371 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.947 6.919 13.577 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -4.512 5.324 13.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -4.197 6.581 15.063 1.00 0.00 H new ATOM 681 N THR B 44 2.813 8.028 13.327 1.00 0.00 N ATOM 682 CA THR B 44 3.689 8.275 12.210 1.00 0.00 C ATOM 683 C THR B 44 4.263 6.965 11.713 1.00 0.00 C ATOM 684 O THR B 44 3.975 5.904 12.273 1.00 0.00 O ATOM 685 CB THR B 44 4.829 9.225 12.605 1.00 0.00 C ATOM 686 OG1 THR B 44 5.198 9.000 13.973 1.00 0.00 O ATOM 687 CG2 THR B 44 4.418 10.674 12.408 1.00 0.00 C ATOM 0 H THR B 44 3.274 7.603 14.132 1.00 0.00 H new ATOM 0 HA THR B 44 3.110 8.746 11.416 1.00 0.00 H new ATOM 0 HB THR B 44 5.686 9.023 11.962 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.927 9.607 14.219 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.242 11.328 12.694 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.168 10.842 11.360 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.548 10.893 13.028 1.00 0.00 H new ATOM 695 N LEU B 45 5.066 7.031 10.674 1.00 0.00 N ATOM 696 CA LEU B 45 5.696 5.838 10.144 1.00 0.00 C ATOM 697 C LEU B 45 6.835 5.394 11.043 1.00 0.00 C ATOM 698 O LEU B 45 7.203 6.083 11.999 1.00 0.00 O ATOM 699 CB LEU B 45 6.195 6.062 8.718 1.00 0.00 C ATOM 700 CG LEU B 45 5.101 6.377 7.701 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.659 6.372 6.290 1.00 0.00 C ATOM 702 CD2 LEU B 45 3.963 5.383 7.821 1.00 0.00 C ATOM 0 H LEU B 45 5.299 7.893 10.180 1.00 0.00 H new ATOM 0 HA LEU B 45 4.946 5.048 10.116 1.00 0.00 H new ATOM 0 HB2 LEU B 45 6.914 6.882 8.724 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.730 5.171 8.391 1.00 0.00 H new ATOM 0 HG LEU B 45 4.716 7.374 7.914 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.861 6.599 5.583 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.443 7.124 6.206 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.074 5.389 6.066 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.192 5.622 7.089 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.338 4.376 7.637 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.539 5.434 8.824 1.00 0.00 H new ATOM 714 N LYS B 46 7.389 4.244 10.731 1.00 0.00 N ATOM 715 CA LYS B 46 8.402 3.631 11.565 1.00 0.00 C ATOM 716 C LYS B 46 9.782 4.059 11.114 1.00 0.00 C ATOM 717 O LYS B 46 10.685 4.261 11.925 1.00 0.00 O ATOM 718 CB LYS B 46 8.253 2.127 11.501 1.00 0.00 C ATOM 719 CG LYS B 46 6.930 1.664 12.070 1.00 0.00 C ATOM 720 CD LYS B 46 6.512 0.346 11.473 1.00 0.00 C ATOM 721 CE LYS B 46 7.557 -0.733 11.728 1.00 0.00 C ATOM 722 NZ LYS B 46 7.044 -2.096 11.434 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.152 3.708 9.896 1.00 0.00 H new ATOM 0 HA LYS B 46 8.274 3.956 12.598 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.337 1.798 10.465 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.068 1.658 12.052 1.00 0.00 H new ATOM 0 HG2 LYS B 46 7.011 1.567 13.153 1.00 0.00 H new ATOM 0 HG3 LYS B 46 6.164 2.414 11.874 1.00 0.00 H new ATOM 0 HD2 LYS B 46 5.557 0.038 11.898 1.00 0.00 H new ATOM 0 HD3 LYS B 46 6.360 0.462 10.400 1.00 0.00 H new ATOM 0 HE2 LYS B 46 8.435 -0.537 11.113 1.00 0.00 H new ATOM 0 HE3 LYS B 46 7.879 -0.685 12.768 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.841 -2.761 11.374 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 6.399 -2.396 12.193 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 6.532 -2.086 10.529 1.00 0.00 H new ATOM 736 N THR B 47 9.932 4.195 9.811 1.00 0.00 N ATOM 737 CA THR B 47 11.149 4.723 9.236 1.00 0.00 C ATOM 738 C THR B 47 10.980 6.207 8.953 1.00 0.00 C ATOM 739 O THR B 47 10.030 6.617 8.291 1.00 0.00 O ATOM 740 CB THR B 47 11.500 3.997 7.933 1.00 0.00 C ATOM 741 OG1 THR B 47 11.562 2.587 8.171 1.00 0.00 O ATOM 742 CG2 THR B 47 12.828 4.494 7.386 1.00 0.00 C ATOM 0 H THR B 47 9.218 3.944 9.127 1.00 0.00 H new ATOM 0 HA THR B 47 11.958 4.570 9.950 1.00 0.00 H new ATOM 0 HB THR B 47 10.726 4.204 7.194 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.926 2.128 7.583 1.00 0.00 H new ATOM 0 HG21 THR B 47 13.060 3.967 6.461 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.762 5.564 7.188 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.615 4.308 8.117 1.00 0.00 H new ATOM 750 N LYS B 48 11.909 7.007 9.461 1.00 0.00 N ATOM 751 CA LYS B 48 11.839 8.453 9.320 1.00 0.00 C ATOM 752 C LYS B 48 11.974 8.872 7.861 1.00 0.00 C ATOM 753 O LYS B 48 11.316 9.812 7.420 1.00 0.00 O ATOM 754 CB LYS B 48 12.923 9.110 10.171 1.00 0.00 C ATOM 755 CG LYS B 48 12.878 10.635 10.179 1.00 0.00 C ATOM 756 CD LYS B 48 11.491 11.178 10.505 1.00 0.00 C ATOM 757 CE LYS B 48 10.994 10.710 11.862 1.00 0.00 C ATOM 758 NZ LYS B 48 9.645 11.254 12.173 1.00 0.00 N1+ ATOM 0 H LYS B 48 12.724 6.675 9.977 1.00 0.00 H new ATOM 0 HA LYS B 48 10.862 8.786 9.670 1.00 0.00 H new ATOM 0 HB2 LYS B 48 12.831 8.750 11.196 1.00 0.00 H new ATOM 0 HB3 LYS B 48 13.899 8.789 9.806 1.00 0.00 H new ATOM 0 HG2 LYS B 48 13.593 11.012 10.910 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.191 11.009 9.204 1.00 0.00 H new ATOM 0 HD2 LYS B 48 11.516 12.268 10.485 1.00 0.00 H new ATOM 0 HD3 LYS B 48 10.789 10.861 9.734 1.00 0.00 H new ATOM 0 HE2 LYS B 48 10.960 9.621 11.881 1.00 0.00 H new ATOM 0 HE3 LYS B 48 11.698 11.020 12.634 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.311 10.859 13.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 9.697 12.290 12.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 8.982 10.994 11.415 1.00 0.00 H new ATOM 772 N ALA B 49 12.812 8.163 7.114 1.00 0.00 N ATOM 773 CA ALA B 49 12.977 8.428 5.691 1.00 0.00 C ATOM 774 C ALA B 49 11.647 8.273 4.962 1.00 0.00 C ATOM 775 O ALA B 49 11.360 8.994 4.010 1.00 0.00 O ATOM 776 CB ALA B 49 14.021 7.496 5.095 1.00 0.00 C ATOM 0 H ALA B 49 13.388 7.400 7.471 1.00 0.00 H new ATOM 0 HA ALA B 49 13.320 9.455 5.569 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.132 7.707 4.031 1.00 0.00 H new ATOM 0 HB2 ALA B 49 14.976 7.651 5.597 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.704 6.462 5.229 1.00 0.00 H new ATOM 782 N PHE B 50 10.840 7.334 5.435 1.00 0.00 N ATOM 783 CA PHE B 50 9.515 7.095 4.882 1.00 0.00 C ATOM 784 C PHE B 50 8.513 8.087 5.458 1.00 0.00 C ATOM 785 O PHE B 50 7.692 8.652 4.732 1.00 0.00 O ATOM 786 CB PHE B 50 9.067 5.664 5.187 1.00 0.00 C ATOM 787 CG PHE B 50 9.617 4.629 4.245 1.00 0.00 C ATOM 788 CD1 PHE B 50 10.924 4.693 3.793 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.813 3.587 3.812 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.419 3.739 2.926 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.303 2.630 2.946 1.00 0.00 C ATOM 792 CZ PHE B 50 10.607 2.706 2.500 1.00 0.00 C ATOM 0 H PHE B 50 11.084 6.718 6.211 1.00 0.00 H new ATOM 0 HA PHE B 50 9.561 7.230 3.801 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.369 5.410 6.203 1.00 0.00 H new ATOM 0 HB3 PHE B 50 7.978 5.623 5.158 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.564 5.498 4.122 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.791 3.523 4.156 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.441 3.801 2.581 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.666 1.822 2.618 1.00 0.00 H new ATOM 0 HZ PHE B 50 10.991 1.960 1.820 1.00 0.00 H new ATOM 802 N ASP B 51 8.595 8.290 6.773 1.00 0.00 N ATOM 803 CA ASP B 51 7.698 9.196 7.486 1.00 0.00 C ATOM 804 C ASP B 51 7.720 10.586 6.869 1.00 0.00 C ATOM 805 O ASP B 51 6.677 11.222 6.725 1.00 0.00 O ATOM 806 CB ASP B 51 8.081 9.292 8.966 1.00 0.00 C ATOM 807 CG ASP B 51 7.229 10.295 9.710 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.003 10.083 9.802 1.00 0.00 O1- ATOM 809 OD2 ASP B 51 7.786 11.306 10.197 1.00 0.00 O ATOM 0 H ASP B 51 9.283 7.832 7.371 1.00 0.00 H new ATOM 0 HA ASP B 51 6.691 8.787 7.403 1.00 0.00 H new ATOM 0 HB2 ASP B 51 7.976 8.312 9.431 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.130 9.575 9.051 1.00 0.00 H new ATOM 814 N ASP B 52 8.916 11.045 6.498 1.00 0.00 N ATOM 815 CA ASP B 52 9.081 12.361 5.886 1.00 0.00 C ATOM 816 C ASP B 52 8.135 12.544 4.708 1.00 0.00 C ATOM 817 O ASP B 52 7.425 13.539 4.629 1.00 0.00 O ATOM 818 CB ASP B 52 10.525 12.583 5.424 1.00 0.00 C ATOM 819 CG ASP B 52 11.459 12.959 6.558 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.099 13.845 7.362 1.00 0.00 O ATOM 821 OD2 ASP B 52 12.573 12.400 6.632 1.00 0.00 O1- ATOM 0 H ASP B 52 9.785 10.523 6.612 1.00 0.00 H new ATOM 0 HA ASP B 52 8.839 13.100 6.650 1.00 0.00 H new ATOM 0 HB2 ASP B 52 10.891 11.675 4.945 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.542 13.370 4.670 1.00 0.00 H new ATOM 826 N ILE B 53 8.109 11.569 3.811 1.00 0.00 N ATOM 827 CA ILE B 53 7.251 11.632 2.630 1.00 0.00 C ATOM 828 C ILE B 53 5.781 11.654 3.026 1.00 0.00 C ATOM 829 O ILE B 53 4.989 12.415 2.473 1.00 0.00 O ATOM 830 CB ILE B 53 7.507 10.438 1.691 1.00 0.00 C ATOM 831 CG1 ILE B 53 8.953 10.461 1.206 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.546 10.460 0.510 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.676 9.161 1.438 1.00 0.00 C ATOM 0 H ILE B 53 8.673 10.721 3.876 1.00 0.00 H new ATOM 0 HA ILE B 53 7.494 12.555 2.103 1.00 0.00 H new ATOM 0 HB ILE B 53 7.334 9.516 2.246 1.00 0.00 H new ATOM 0 HG12 ILE B 53 8.969 10.693 0.141 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.488 11.263 1.715 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.747 9.607 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.520 10.405 0.875 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.682 11.384 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.699 9.243 1.071 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.690 8.938 2.505 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.163 8.360 0.906 1.00 0.00 H new ATOM 845 N TYR B 54 5.430 10.836 4.008 1.00 0.00 N ATOM 846 CA TYR B 54 4.051 10.735 4.473 1.00 0.00 C ATOM 847 C TYR B 54 3.562 12.077 5.025 1.00 0.00 C ATOM 848 O TYR B 54 2.363 12.363 5.026 1.00 0.00 O ATOM 849 CB TYR B 54 3.940 9.638 5.537 1.00 0.00 C ATOM 850 CG TYR B 54 2.521 9.306 5.947 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.639 8.708 5.051 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.067 9.577 7.231 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.346 8.394 5.425 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.775 9.266 7.612 1.00 0.00 C ATOM 855 CZ TYR B 54 -0.080 8.675 6.706 1.00 0.00 C ATOM 856 OH TYR B 54 -1.367 8.361 7.086 1.00 0.00 O ATOM 0 H TYR B 54 6.084 10.229 4.502 1.00 0.00 H new ATOM 0 HA TYR B 54 3.415 10.471 3.628 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.417 8.734 5.160 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.498 9.948 6.421 1.00 0.00 H new ATOM 0 HD1 TYR B 54 1.971 8.486 4.047 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.734 10.038 7.944 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.327 7.931 4.718 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.437 9.485 8.614 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.674 7.577 6.584 1.00 0.00 H new ATOM 866 N GLN B 55 4.497 12.904 5.481 1.00 0.00 N ATOM 867 CA GLN B 55 4.160 14.220 6.005 1.00 0.00 C ATOM 868 C GLN B 55 4.310 15.284 4.917 1.00 0.00 C ATOM 869 O GLN B 55 3.497 16.200 4.811 1.00 0.00 O ATOM 870 CB GLN B 55 5.063 14.574 7.192 1.00 0.00 C ATOM 871 CG GLN B 55 5.198 13.470 8.232 1.00 0.00 C ATOM 872 CD GLN B 55 3.871 13.024 8.815 1.00 0.00 C ATOM 873 OE1 GLN B 55 2.918 13.803 8.903 1.00 0.00 O ATOM 874 NE2 GLN B 55 3.807 11.776 9.252 1.00 0.00 N ATOM 0 H GLN B 55 5.493 12.685 5.498 1.00 0.00 H new ATOM 0 HA GLN B 55 3.123 14.194 6.340 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.055 14.825 6.816 1.00 0.00 H new ATOM 0 HB3 GLN B 55 4.670 15.468 7.677 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.693 12.612 7.777 1.00 0.00 H new ATOM 0 HG3 GLN B 55 5.842 13.819 9.039 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.616 11.162 9.162 1.00 0.00 H new ATOM 0 HE22 GLN B 55 2.948 11.429 9.679 1.00 0.00 H new ATOM 883 N ASN B 56 5.351 15.140 4.102 1.00 0.00 N ATOM 884 CA ASN B 56 5.691 16.130 3.075 1.00 0.00 C ATOM 885 C ASN B 56 4.718 16.090 1.907 1.00 0.00 C ATOM 886 O ASN B 56 4.504 17.098 1.233 1.00 0.00 O ATOM 887 CB ASN B 56 7.112 15.892 2.546 1.00 0.00 C ATOM 888 CG ASN B 56 8.202 16.363 3.493 1.00 0.00 C ATOM 889 OD1 ASN B 56 7.905 16.404 4.782 1.00 0.00 O flip ATOM 890 ND2 ASN B 56 9.307 16.695 3.060 1.00 0.00 N flip ATOM 0 H ASN B 56 5.982 14.339 4.131 1.00 0.00 H new ATOM 0 HA ASN B 56 5.629 17.110 3.547 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.245 14.827 2.353 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.226 16.405 1.591 1.00 0.00 H new ATOM 0 HD21 ASN B 56 9.497 16.649 2.059 1.00 0.00 H new ATOM 0 HD22 ASN B 56 10.031 17.016 3.703 1.00 0.00 H new ATOM 897 N SER B 57 4.130 14.930 1.676 1.00 0.00 N ATOM 898 CA SER B 57 3.253 14.734 0.544 1.00 0.00 C ATOM 899 C SER B 57 1.822 14.565 1.012 1.00 0.00 C ATOM 900 O SER B 57 1.333 13.449 1.198 1.00 0.00 O ATOM 901 CB SER B 57 3.704 13.521 -0.273 1.00 0.00 C ATOM 902 OG SER B 57 5.005 13.728 -0.791 1.00 0.00 O ATOM 0 H SER B 57 4.248 14.105 2.265 1.00 0.00 H new ATOM 0 HA SER B 57 3.302 15.615 -0.096 1.00 0.00 H new ATOM 0 HB2 SER B 57 3.693 12.629 0.353 1.00 0.00 H new ATOM 0 HB3 SER B 57 3.005 13.345 -1.090 1.00 0.00 H new ATOM 0 HG SER B 57 5.668 13.550 -0.091 1.00 0.00 H new ATOM 908 N ALA B 58 1.156 15.689 1.208 1.00 0.00 N ATOM 909 CA ALA B 58 -0.231 15.698 1.627 1.00 0.00 C ATOM 910 C ALA B 58 -1.118 15.079 0.554 1.00 0.00 C ATOM 911 O ALA B 58 -2.187 14.543 0.846 1.00 0.00 O ATOM 912 CB ALA B 58 -0.656 17.117 1.931 1.00 0.00 C ATOM 0 H ALA B 58 1.561 16.617 1.081 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.338 15.098 2.531 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.699 17.125 2.246 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.033 17.520 2.729 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.543 17.730 1.037 1.00 0.00 H new ATOM 918 N GLU B 59 -0.650 15.147 -0.688 1.00 0.00 N ATOM 919 CA GLU B 59 -1.332 14.515 -1.811 1.00 0.00 C ATOM 920 C GLU B 59 -1.392 13.009 -1.604 1.00 0.00 C ATOM 921 O GLU B 59 -2.366 12.351 -1.958 1.00 0.00 O ATOM 922 CB GLU B 59 -0.587 14.805 -3.112 1.00 0.00 C ATOM 923 CG GLU B 59 -0.362 16.276 -3.370 1.00 0.00 C ATOM 924 CD GLU B 59 0.352 16.530 -4.679 1.00 0.00 C ATOM 925 OE1 GLU B 59 1.596 16.552 -4.685 1.00 0.00 O ATOM 926 OE2 GLU B 59 -0.327 16.708 -5.711 1.00 0.00 O1- ATOM 0 H GLU B 59 0.207 15.638 -0.943 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.342 14.919 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.378 14.298 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.149 14.381 -3.944 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -1.322 16.792 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.222 16.700 -2.553 1.00 0.00 H new ATOM 933 N LEU B 60 -0.327 12.483 -1.026 1.00 0.00 N ATOM 934 CA LEU B 60 -0.222 11.065 -0.731 1.00 0.00 C ATOM 935 C LEU B 60 -1.129 10.727 0.450 1.00 0.00 C ATOM 936 O LEU B 60 -1.810 9.702 0.456 1.00 0.00 O ATOM 937 CB LEU B 60 1.253 10.726 -0.433 1.00 0.00 C ATOM 938 CG LEU B 60 1.627 9.240 -0.321 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.232 8.670 1.032 1.00 0.00 C ATOM 940 CD2 LEU B 60 0.989 8.442 -1.445 1.00 0.00 C ATOM 0 H LEU B 60 0.490 13.027 -0.748 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.546 10.467 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.866 11.170 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.529 11.214 0.502 1.00 0.00 H new ATOM 0 HG LEU B 60 2.710 9.161 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.510 7.617 1.079 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.747 9.217 1.822 1.00 0.00 H new ATOM 0 HD13 LEU B 60 0.155 8.767 1.167 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.266 7.392 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -0.095 8.538 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.338 8.822 -2.405 1.00 0.00 H new ATOM 952 N GLN B 61 -1.155 11.624 1.429 1.00 0.00 N ATOM 953 CA GLN B 61 -1.953 11.445 2.629 1.00 0.00 C ATOM 954 C GLN B 61 -3.443 11.394 2.310 1.00 0.00 C ATOM 955 O GLN B 61 -4.174 10.568 2.860 1.00 0.00 O ATOM 956 CB GLN B 61 -1.683 12.586 3.613 1.00 0.00 C ATOM 957 CG GLN B 61 -2.588 12.553 4.834 1.00 0.00 C ATOM 958 CD GLN B 61 -2.297 11.375 5.736 1.00 0.00 C ATOM 959 OE1 GLN B 61 -1.556 11.493 6.711 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.836 10.222 5.380 1.00 0.00 N ATOM 0 H GLN B 61 -0.623 12.494 1.410 1.00 0.00 H new ATOM 0 HA GLN B 61 -1.667 10.493 3.077 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -0.644 12.538 3.938 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -1.812 13.538 3.099 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.466 13.478 5.398 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.628 12.511 4.511 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -3.445 10.174 4.563 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.643 9.380 5.922 1.00 0.00 H new ATOM 969 N GLU B 62 -3.884 12.273 1.418 1.00 0.00 N ATOM 970 CA GLU B 62 -5.306 12.416 1.135 1.00 0.00 C ATOM 971 C GLU B 62 -5.848 11.181 0.423 1.00 0.00 C ATOM 972 O GLU B 62 -7.043 10.889 0.484 1.00 0.00 O ATOM 973 CB GLU B 62 -5.566 13.674 0.301 1.00 0.00 C ATOM 974 CG GLU B 62 -5.076 13.585 -1.131 1.00 0.00 C ATOM 975 CD GLU B 62 -5.394 14.831 -1.923 1.00 0.00 C ATOM 976 OE1 GLU B 62 -4.610 15.802 -1.856 1.00 0.00 O ATOM 977 OE2 GLU B 62 -6.433 14.852 -2.614 1.00 0.00 O1- ATOM 0 H GLU B 62 -3.280 12.895 0.881 1.00 0.00 H new ATOM 0 HA GLU B 62 -5.830 12.517 2.085 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.637 13.876 0.294 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.084 14.523 0.786 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -3.999 13.420 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.532 12.722 -1.616 1.00 0.00 H new ATOM 984 N LEU B 63 -4.962 10.451 -0.237 1.00 0.00 N ATOM 985 CA LEU B 63 -5.345 9.232 -0.929 1.00 0.00 C ATOM 986 C LEU B 63 -5.691 8.144 0.076 1.00 0.00 C ATOM 987 O LEU B 63 -6.648 7.400 -0.108 1.00 0.00 O ATOM 988 CB LEU B 63 -4.219 8.771 -1.850 1.00 0.00 C ATOM 989 CG LEU B 63 -3.839 9.768 -2.943 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.598 9.300 -3.679 1.00 0.00 C ATOM 991 CD2 LEU B 63 -4.992 9.969 -3.914 1.00 0.00 C ATOM 0 H LEU B 63 -3.971 10.683 -0.307 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.227 9.435 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.336 8.562 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.514 7.833 -2.320 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.621 10.726 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.341 10.022 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -1.770 9.212 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.790 8.329 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.699 10.683 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.246 9.017 -4.380 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -5.859 10.352 -3.375 1.00 0.00 H new ATOM 1003 N LEU B 64 -4.930 8.091 1.165 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.153 7.100 2.216 1.00 0.00 C ATOM 1005 C LEU B 64 -6.401 7.412 3.034 1.00 0.00 C ATOM 1006 O LEU B 64 -6.659 6.768 4.048 1.00 0.00 O ATOM 1007 CB LEU B 64 -3.943 7.006 3.156 1.00 0.00 C ATOM 1008 CG LEU B 64 -2.802 6.098 2.688 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -3.299 4.675 2.471 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -2.160 6.642 1.423 1.00 0.00 C ATOM 0 H LEU B 64 -4.151 8.724 1.344 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.295 6.143 1.715 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.545 8.010 3.306 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.288 6.652 4.127 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.044 6.079 3.471 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -2.472 4.047 2.139 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -3.699 4.283 3.406 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -4.082 4.675 1.713 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -1.353 5.980 1.111 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -2.908 6.701 0.632 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -1.759 7.637 1.617 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.171 8.394 2.598 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.414 8.731 3.269 1.00 0.00 C ATOM 1024 C LYS B 65 -9.599 8.118 2.534 1.00 0.00 C ATOM 1025 O LYS B 65 -10.753 8.364 2.880 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.571 10.250 3.380 1.00 0.00 C ATOM 1027 CG LYS B 65 -7.491 10.912 4.224 1.00 0.00 C ATOM 1028 CD LYS B 65 -7.464 10.346 5.636 1.00 0.00 C ATOM 1029 CE LYS B 65 -6.429 11.042 6.506 1.00 0.00 C ATOM 1030 NZ LYS B 65 -6.397 10.480 7.882 1.00 0.00 N1+ ATOM 0 H LYS B 65 -6.958 8.971 1.784 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.386 8.318 4.277 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -8.556 10.683 2.380 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.547 10.476 3.810 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -6.519 10.766 3.753 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -7.667 11.987 4.265 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -8.450 10.453 6.089 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -7.246 9.279 5.595 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -5.444 10.942 6.050 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -6.652 12.108 6.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -5.679 10.980 8.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -7.330 10.598 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -6.160 9.468 7.838 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.309 7.312 1.519 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.348 6.612 0.791 1.00 0.00 C ATOM 1046 C TYR B 66 -10.353 5.144 1.192 1.00 0.00 C ATOM 1047 O TYR B 66 -9.362 4.435 1.012 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.130 6.755 -0.715 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.214 8.182 -1.209 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.436 8.835 -1.293 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.072 8.874 -1.588 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.518 10.138 -1.741 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.145 10.178 -2.038 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.370 10.806 -2.113 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.450 12.104 -2.566 1.00 0.00 O ATOM 0 H TYR B 66 -8.362 7.130 1.186 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.315 7.050 1.039 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.152 6.348 -0.972 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -10.873 6.154 -1.239 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.337 8.315 -1.003 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.111 8.385 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.477 10.632 -1.800 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.247 10.703 -2.330 1.00 0.00 H new ATOM 0 HH TYR B 66 -9.552 12.430 -2.786 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.480 4.700 1.739 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.623 3.338 2.253 1.00 0.00 C ATOM 1067 C ASN B 67 -11.357 2.314 1.162 1.00 0.00 C ATOM 1068 O ASN B 67 -10.830 1.235 1.422 1.00 0.00 O ATOM 1069 CB ASN B 67 -13.028 3.120 2.817 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.337 4.017 3.998 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -12.447 4.386 4.763 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.600 4.377 4.147 1.00 0.00 N ATOM 0 H ASN B 67 -12.319 5.271 1.839 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.890 3.208 3.049 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.761 3.299 2.030 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -13.134 2.079 3.121 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.869 4.985 4.921 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.305 4.047 3.488 1.00 0.00 H new ATOM 1079 N THR B 68 -11.723 2.671 -0.058 1.00 0.00 N ATOM 1080 CA THR B 68 -11.529 1.813 -1.211 1.00 0.00 C ATOM 1081 C THR B 68 -10.048 1.529 -1.456 1.00 0.00 C ATOM 1082 O THR B 68 -9.671 0.420 -1.848 1.00 0.00 O ATOM 1083 CB THR B 68 -12.147 2.471 -2.462 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.553 2.658 -2.260 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.913 1.636 -3.712 1.00 0.00 C ATOM 0 H THR B 68 -12.163 3.565 -0.275 1.00 0.00 H new ATOM 0 HA THR B 68 -12.025 0.864 -1.010 1.00 0.00 H new ATOM 0 HB THR B 68 -11.660 3.435 -2.611 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.945 3.078 -3.054 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.363 2.133 -4.571 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.842 1.523 -3.879 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.366 0.653 -3.583 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.208 2.520 -1.205 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.787 2.377 -1.462 1.00 0.00 C ATOM 1095 C VAL B 69 -7.111 1.679 -0.289 1.00 0.00 C ATOM 1096 O VAL B 69 -6.245 0.827 -0.479 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.118 3.742 -1.761 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -8.065 4.618 -2.554 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -6.644 4.455 -0.506 1.00 0.00 C ATOM 0 H VAL B 69 -9.484 3.426 -0.826 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.665 1.761 -2.353 1.00 0.00 H new ATOM 0 HB VAL B 69 -6.226 3.542 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -7.588 5.576 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -8.314 4.126 -3.494 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -8.976 4.783 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -6.184 5.405 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.494 4.639 0.151 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -5.913 3.834 0.012 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.548 2.024 0.920 1.00 0.00 N ATOM 1110 CA LYS B 70 -7.037 1.389 2.130 1.00 0.00 C ATOM 1111 C LYS B 70 -7.343 -0.103 2.099 1.00 0.00 C ATOM 1112 O LYS B 70 -6.506 -0.925 2.464 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.658 2.019 3.382 1.00 0.00 C ATOM 1114 CG LYS B 70 -7.535 3.535 3.440 1.00 0.00 C ATOM 1115 CD LYS B 70 -8.259 4.110 4.652 1.00 0.00 C ATOM 1116 CE LYS B 70 -7.450 3.952 5.931 1.00 0.00 C ATOM 1117 NZ LYS B 70 -6.262 4.850 5.949 1.00 0.00 N1+ ATOM 0 H LYS B 70 -8.255 2.740 1.087 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.958 1.539 2.167 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.713 1.749 3.427 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -7.182 1.592 4.265 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -6.482 3.814 3.478 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -7.947 3.969 2.529 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -8.465 5.167 4.483 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -9.221 3.612 4.769 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -8.083 4.170 6.791 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -7.124 2.916 6.029 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -5.414 4.300 6.194 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -6.137 5.279 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -6.404 5.600 6.656 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.547 -0.435 1.639 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.975 -1.820 1.493 1.00 0.00 C ATOM 1133 C PHE B 71 -8.005 -2.606 0.618 1.00 0.00 C ATOM 1134 O PHE B 71 -7.514 -3.664 1.007 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.382 -1.870 0.887 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.782 -3.230 0.382 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.072 -4.257 1.264 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.864 -3.476 -0.980 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.436 -5.504 0.796 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.228 -4.721 -1.452 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.515 -5.737 -0.563 1.00 0.00 C ATOM 0 H PHE B 71 -9.250 0.248 1.358 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.989 -2.278 2.482 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -11.102 -1.546 1.639 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.438 -1.157 0.064 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -11.013 -4.081 2.328 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.640 -2.684 -1.680 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.659 -6.298 1.493 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.288 -4.900 -2.515 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.801 -6.712 -0.929 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.723 -2.068 -0.559 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.887 -2.754 -1.533 1.00 0.00 C ATOM 1153 C HIS B 72 -5.440 -2.852 -1.059 1.00 0.00 C ATOM 1154 O HIS B 72 -4.770 -3.853 -1.304 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.955 -2.044 -2.887 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.193 -2.351 -3.675 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.325 -1.564 -3.647 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.465 -3.363 -4.534 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.235 -2.078 -4.456 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.737 -3.166 -5.003 1.00 0.00 N ATOM 0 H HIS B 72 -8.062 -1.155 -0.864 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.271 -3.768 -1.644 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.898 -0.968 -2.725 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -6.082 -2.324 -3.477 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -9.442 -0.718 -3.089 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -7.803 -4.174 -4.799 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.220 -1.674 -4.637 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.970 -1.821 -0.371 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.600 -1.802 0.125 1.00 0.00 C ATOM 1171 C LEU B 73 -3.437 -2.741 1.319 1.00 0.00 C ATOM 1172 O LEU B 73 -2.396 -3.371 1.487 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.190 -0.379 0.516 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.135 0.630 -0.634 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.792 2.016 -0.109 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.125 0.196 -1.685 1.00 0.00 C ATOM 0 H LEU B 73 -5.515 -0.989 -0.144 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.948 -2.149 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.890 -0.011 1.266 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.209 -0.419 0.988 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.119 0.668 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.757 2.721 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.552 2.333 0.605 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.821 1.988 0.384 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.103 0.928 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.136 0.125 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.411 -0.777 -2.085 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.471 -2.844 2.142 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.427 -3.719 3.307 1.00 0.00 C ATOM 1190 C ALA B 74 -4.325 -5.175 2.888 1.00 0.00 C ATOM 1191 O ALA B 74 -3.717 -5.989 3.583 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.645 -3.507 4.181 1.00 0.00 C ATOM 0 H ALA B 74 -5.347 -2.335 2.026 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.538 -3.466 3.884 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.593 -4.170 5.045 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.674 -2.471 4.519 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.546 -3.727 3.609 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.908 -5.500 1.741 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.858 -6.857 1.222 1.00 0.00 C ATOM 1200 C LYS B 75 -3.423 -7.266 0.914 1.00 0.00 C ATOM 1201 O LYS B 75 -3.075 -8.442 1.012 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.722 -6.996 -0.031 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.201 -6.737 0.219 1.00 0.00 C ATOM 1204 CD LYS B 75 -8.038 -7.038 -1.014 1.00 0.00 C ATOM 1205 CE LYS B 75 -8.041 -8.525 -1.336 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.829 -8.831 -2.559 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.420 -4.841 1.154 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.254 -7.521 1.991 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.363 -6.300 -0.789 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.601 -8.000 -0.437 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.543 -7.353 1.051 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.344 -5.697 0.512 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -9.061 -6.697 -0.853 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.647 -6.481 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -7.015 -8.868 -1.471 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -8.454 -9.077 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.804 -9.855 -2.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.814 -8.528 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.421 -8.325 -3.371 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.585 -6.293 0.556 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.187 -6.582 0.275 1.00 0.00 C ATOM 1222 C VAL B 76 -0.404 -6.639 1.583 1.00 0.00 C ATOM 1223 O VAL B 76 0.522 -7.432 1.727 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.545 -5.556 -0.704 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.551 -5.117 -1.755 1.00 0.00 C ATOM 1226 CG2 VAL B 76 0.037 -4.347 0.018 1.00 0.00 C ATOM 0 H VAL B 76 -2.849 -5.313 0.456 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.145 -7.551 -0.223 1.00 0.00 H new ATOM 0 HB VAL B 76 0.285 -6.063 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.083 -4.400 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.886 -5.985 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.407 -4.651 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.472 -3.663 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.753 -3.837 0.568 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.809 -4.676 0.714 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.814 -5.820 2.552 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.199 -5.820 3.875 1.00 0.00 C ATOM 1238 C TYR B 77 -0.361 -7.188 4.529 1.00 0.00 C ATOM 1239 O TYR B 77 0.525 -7.659 5.242 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.822 -4.728 4.753 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.364 -4.763 6.196 1.00 0.00 C ATOM 1242 CD1 TYR B 77 0.987 -4.748 6.518 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.286 -4.813 7.234 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.406 -4.783 7.834 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.872 -4.848 8.552 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.474 -4.833 8.847 1.00 0.00 C ATOM 1247 OH TYR B 77 0.887 -4.868 10.159 1.00 0.00 O ATOM 0 H TYR B 77 -1.572 -5.147 2.442 1.00 0.00 H new ATOM 0 HA TYR B 77 0.865 -5.609 3.767 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.580 -3.753 4.329 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.907 -4.828 4.724 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.721 -4.708 5.727 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.342 -4.825 7.008 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.460 -4.771 8.068 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.601 -4.887 9.348 1.00 0.00 H new ATOM 0 HH TYR B 77 0.104 -4.900 10.748 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.493 -7.825 4.258 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.766 -9.171 4.748 1.00 0.00 C ATOM 1259 C ARG B 78 -0.736 -10.160 4.224 1.00 0.00 C ATOM 1260 O ARG B 78 -0.449 -11.178 4.850 1.00 0.00 O ATOM 1261 CB ARG B 78 -3.154 -9.606 4.327 1.00 0.00 C ATOM 1262 CG ARG B 78 -4.222 -8.733 4.928 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.587 -9.346 4.763 1.00 0.00 C ATOM 1264 NE ARG B 78 -5.700 -10.628 5.457 1.00 0.00 N ATOM 1265 CZ ARG B 78 -6.834 -11.104 5.963 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -7.965 -10.421 5.835 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -6.836 -12.269 6.594 1.00 0.00 N ATOM 0 H ARG B 78 -2.245 -7.426 3.695 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.707 -9.155 5.836 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.230 -9.576 3.240 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.318 -10.640 4.630 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -4.016 -8.579 5.987 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -4.202 -7.752 4.454 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -6.342 -8.659 5.146 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.795 -9.488 3.702 1.00 0.00 H new ATOM 0 HE ARG B 78 -4.857 -11.192 5.559 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.968 -9.526 5.346 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -8.831 -10.792 6.225 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -5.969 -12.798 6.691 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -7.704 -12.637 6.983 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.183 -9.841 3.069 1.00 0.00 N ATOM 1282 CA ILE B 79 0.818 -10.683 2.437 1.00 0.00 C ATOM 1283 C ILE B 79 2.185 -10.478 3.089 1.00 0.00 C ATOM 1284 O ILE B 79 2.888 -11.442 3.386 1.00 0.00 O ATOM 1285 CB ILE B 79 0.913 -10.395 0.923 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.473 -10.501 0.278 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.885 -11.356 0.257 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.494 -10.117 -1.185 1.00 0.00 C ATOM 0 H ILE B 79 -0.412 -8.997 2.544 1.00 0.00 H new ATOM 0 HA ILE B 79 0.511 -11.720 2.574 1.00 0.00 H new ATOM 0 HB ILE B 79 1.286 -9.380 0.784 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -0.835 -11.524 0.381 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.167 -9.861 0.822 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.939 -11.138 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.873 -11.240 0.702 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.540 -12.380 0.401 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.508 -10.217 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.164 -9.084 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE B 79 0.174 -10.773 -1.743 1.00 0.00 H new ATOM 1300 N LEU B 80 2.549 -9.219 3.332 1.00 0.00 N ATOM 1301 CA LEU B 80 3.837 -8.906 3.956 1.00 0.00 C ATOM 1302 C LEU B 80 3.866 -9.346 5.417 1.00 0.00 C ATOM 1303 O LEU B 80 4.937 -9.550 5.991 1.00 0.00 O ATOM 1304 CB LEU B 80 4.171 -7.411 3.867 1.00 0.00 C ATOM 1305 CG LEU B 80 4.573 -6.881 2.482 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.484 -7.865 1.763 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.350 -6.563 1.647 1.00 0.00 C ATOM 0 H LEU B 80 1.977 -8.405 3.109 1.00 0.00 H new ATOM 0 HA LEU B 80 4.592 -9.461 3.400 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.304 -6.846 4.210 1.00 0.00 H new ATOM 0 HB3 LEU B 80 4.984 -7.201 4.562 1.00 0.00 H new ATOM 0 HG LEU B 80 5.130 -5.955 2.627 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.753 -7.464 0.786 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.388 -8.021 2.352 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.965 -8.815 1.636 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.662 -6.190 0.672 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.754 -7.466 1.516 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.752 -5.804 2.152 1.00 0.00 H new ATOM 1319 N SER B 81 2.693 -9.512 6.013 1.00 0.00 N ATOM 1320 CA SER B 81 2.603 -9.973 7.387 1.00 0.00 C ATOM 1321 C SER B 81 2.514 -11.495 7.420 1.00 0.00 C ATOM 1322 O SER B 81 1.893 -12.078 8.311 1.00 0.00 O ATOM 1323 CB SER B 81 1.408 -9.328 8.099 1.00 0.00 C ATOM 1324 OG SER B 81 0.255 -9.323 7.276 1.00 0.00 O ATOM 0 H SER B 81 1.794 -9.334 5.566 1.00 0.00 H new ATOM 0 HA SER B 81 3.504 -9.671 7.921 1.00 0.00 H new ATOM 0 HB2 SER B 81 1.196 -9.870 9.021 1.00 0.00 H new ATOM 0 HB3 SER B 81 1.660 -8.306 8.381 1.00 0.00 H new ATOM 0 HG SER B 81 0.255 -8.517 6.718 1.00 0.00 H new ATOM 1509 N LEU B 96 9.341 -13.965 -0.913 1.00 0.00 N ATOM 1510 CA LEU B 96 8.247 -14.474 -1.704 1.00 0.00 C ATOM 1511 C LEU B 96 6.984 -13.648 -1.464 1.00 0.00 C ATOM 1512 O LEU B 96 6.207 -13.391 -2.386 1.00 0.00 O ATOM 1513 CB LEU B 96 8.048 -15.936 -1.314 1.00 0.00 C ATOM 1514 CG LEU B 96 6.613 -16.392 -1.119 1.00 0.00 C ATOM 1515 CD1 LEU B 96 5.986 -16.727 -2.455 1.00 0.00 C ATOM 1516 CD2 LEU B 96 6.584 -17.572 -0.171 1.00 0.00 C ATOM 0 HA LEU B 96 8.467 -14.402 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU B 96 8.504 -16.560 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU B 96 8.594 -16.120 -0.389 1.00 0.00 H new ATOM 0 HG LEU B 96 6.025 -15.588 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU B 96 4.957 -17.053 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU B 96 5.996 -15.844 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU B 96 6.553 -17.526 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU B 96 5.554 -17.900 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU B 96 7.171 -18.389 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU B 96 7.005 -17.277 0.790 1.00 0.00 H new ATOM 1528 N GLN B 97 6.797 -13.228 -0.219 1.00 0.00 N ATOM 1529 CA GLN B 97 5.662 -12.390 0.151 1.00 0.00 C ATOM 1530 C GLN B 97 5.718 -11.061 -0.595 1.00 0.00 C ATOM 1531 O GLN B 97 4.687 -10.519 -0.990 1.00 0.00 O ATOM 1532 CB GLN B 97 5.645 -12.145 1.667 1.00 0.00 C ATOM 1533 CG GLN B 97 5.742 -13.420 2.495 1.00 0.00 C ATOM 1534 CD GLN B 97 4.431 -14.181 2.629 1.00 0.00 C ATOM 1535 OE1 GLN B 97 3.488 -13.945 1.732 1.00 0.00 O flip ATOM 1536 NE2 GLN B 97 4.246 -14.949 3.572 1.00 0.00 N flip ATOM 0 H GLN B 97 7.420 -13.455 0.556 1.00 0.00 H new ATOM 0 HA GLN B 97 4.746 -12.910 -0.128 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.474 -11.488 1.929 1.00 0.00 H new ATOM 0 HB3 GLN B 97 4.727 -11.620 1.931 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.485 -14.077 2.043 1.00 0.00 H new ATOM 0 HG3 GLN B 97 6.104 -13.166 3.491 1.00 0.00 H new ATOM 0 HE21 GLN B 97 4.990 -15.113 4.250 1.00 0.00 H new ATOM 0 HE22 GLN B 97 3.348 -15.422 3.676 1.00 0.00 H new ATOM 1545 N LYS B 98 6.931 -10.549 -0.800 1.00 0.00 N ATOM 1546 CA LYS B 98 7.122 -9.318 -1.561 1.00 0.00 C ATOM 1547 C LYS B 98 6.569 -9.464 -2.973 1.00 0.00 C ATOM 1548 O LYS B 98 5.892 -8.570 -3.470 1.00 0.00 O ATOM 1549 CB LYS B 98 8.603 -8.922 -1.628 1.00 0.00 C ATOM 1550 CG LYS B 98 9.081 -8.048 -0.477 1.00 0.00 C ATOM 1551 CD LYS B 98 9.111 -8.803 0.838 1.00 0.00 C ATOM 1552 CE LYS B 98 9.702 -7.957 1.952 1.00 0.00 C ATOM 1553 NZ LYS B 98 11.113 -7.575 1.672 1.00 0.00 N1+ ATOM 0 H LYS B 98 7.793 -10.967 -0.450 1.00 0.00 H new ATOM 0 HA LYS B 98 6.577 -8.530 -1.041 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.207 -9.829 -1.652 1.00 0.00 H new ATOM 0 HB3 LYS B 98 8.782 -8.395 -2.565 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.078 -7.669 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.425 -7.183 -0.383 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.099 -9.106 1.108 1.00 0.00 H new ATOM 0 HD3 LYS B 98 9.697 -9.715 0.722 1.00 0.00 H new ATOM 0 HE2 LYS B 98 9.101 -7.057 2.081 1.00 0.00 H new ATOM 0 HE3 LYS B 98 9.655 -8.509 2.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 11.568 -7.257 2.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 11.627 -8.396 1.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 11.132 -6.804 0.975 1.00 0.00 H new ATOM 1567 N GLU B 99 6.840 -10.605 -3.604 1.00 0.00 N ATOM 1568 CA GLU B 99 6.391 -10.845 -4.972 1.00 0.00 C ATOM 1569 C GLU B 99 4.873 -10.753 -5.060 1.00 0.00 C ATOM 1570 O GLU B 99 4.331 -10.015 -5.883 1.00 0.00 O ATOM 1571 CB GLU B 99 6.839 -12.222 -5.461 1.00 0.00 C ATOM 1572 CG GLU B 99 6.729 -12.386 -6.966 1.00 0.00 C ATOM 1573 CD GLU B 99 7.005 -13.801 -7.425 1.00 0.00 C ATOM 1574 OE1 GLU B 99 7.972 -14.413 -6.936 1.00 0.00 O1- ATOM 1575 OE2 GLU B 99 6.244 -14.309 -8.278 1.00 0.00 O ATOM 0 H GLU B 99 7.366 -11.375 -3.191 1.00 0.00 H new ATOM 0 HA GLU B 99 6.839 -10.079 -5.605 1.00 0.00 H new ATOM 0 HB2 GLU B 99 7.873 -12.390 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.236 -12.988 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU B 99 5.729 -12.094 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU B 99 7.430 -11.708 -7.453 1.00 0.00 H new ATOM 1582 N LEU B 100 4.195 -11.497 -4.196 1.00 0.00 N ATOM 1583 CA LEU B 100 2.737 -11.518 -4.181 1.00 0.00 C ATOM 1584 C LEU B 100 2.180 -10.129 -3.907 1.00 0.00 C ATOM 1585 O LEU B 100 1.162 -9.736 -4.474 1.00 0.00 O ATOM 1586 CB LEU B 100 2.210 -12.506 -3.137 1.00 0.00 C ATOM 1587 CG LEU B 100 2.148 -13.975 -3.569 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.208 -14.148 -4.753 1.00 0.00 C ATOM 1589 CD2 LEU B 100 3.532 -14.507 -3.904 1.00 0.00 C ATOM 0 H LEU B 100 4.632 -12.095 -3.495 1.00 0.00 H new ATOM 0 HA LEU B 100 2.402 -11.844 -5.166 1.00 0.00 H new ATOM 0 HB2 LEU B 100 2.839 -12.436 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.208 -12.192 -2.843 1.00 0.00 H new ATOM 0 HG LEU B 100 1.759 -14.554 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.179 -15.198 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.207 -13.821 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU B 100 1.565 -13.549 -5.591 1.00 0.00 H new ATOM 0 HD21 LEU B 100 3.457 -15.551 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU B 100 3.959 -13.922 -4.719 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.174 -14.429 -3.027 1.00 0.00 H new ATOM 1601 N ALA B 101 2.863 -9.388 -3.046 1.00 0.00 N ATOM 1602 CA ALA B 101 2.472 -8.024 -2.740 1.00 0.00 C ATOM 1603 C ALA B 101 2.562 -7.150 -3.992 1.00 0.00 C ATOM 1604 O ALA B 101 1.633 -6.407 -4.309 1.00 0.00 O ATOM 1605 CB ALA B 101 3.334 -7.465 -1.614 1.00 0.00 C ATOM 0 H ALA B 101 3.692 -9.711 -2.547 1.00 0.00 H new ATOM 0 HA ALA B 101 1.435 -8.022 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA B 101 3.029 -6.442 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.210 -8.079 -0.722 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.381 -7.475 -1.918 1.00 0.00 H new ATOM 1611 N VAL B 102 3.669 -7.275 -4.725 1.00 0.00 N ATOM 1612 CA VAL B 102 3.870 -6.516 -5.961 1.00 0.00 C ATOM 1613 C VAL B 102 2.782 -6.848 -6.979 1.00 0.00 C ATOM 1614 O VAL B 102 2.299 -5.973 -7.700 1.00 0.00 O ATOM 1615 CB VAL B 102 5.255 -6.803 -6.590 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.432 -6.046 -7.897 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.370 -6.447 -5.626 1.00 0.00 C ATOM 0 H VAL B 102 4.442 -7.896 -4.484 1.00 0.00 H new ATOM 0 HA VAL B 102 3.819 -5.459 -5.698 1.00 0.00 H new ATOM 0 HB VAL B 102 5.305 -7.871 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL B 102 6.414 -6.267 -8.315 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.660 -6.352 -8.602 1.00 0.00 H new ATOM 0 HG13 VAL B 102 5.350 -4.975 -7.711 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.333 -6.657 -6.090 1.00 0.00 H new ATOM 0 HG22 VAL B 102 6.311 -5.388 -5.377 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.268 -7.040 -4.717 1.00 0.00 H new ATOM 1627 N ASN B 103 2.392 -8.115 -7.015 1.00 0.00 N ATOM 1628 CA ASN B 103 1.369 -8.582 -7.944 1.00 0.00 C ATOM 1629 C ASN B 103 0.037 -7.879 -7.709 1.00 0.00 C ATOM 1630 O ASN B 103 -0.709 -7.613 -8.651 1.00 0.00 O ATOM 1631 CB ASN B 103 1.192 -10.096 -7.825 1.00 0.00 C ATOM 1632 CG ASN B 103 2.183 -10.871 -8.671 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.909 -11.195 -9.828 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.339 -11.172 -8.108 1.00 0.00 N ATOM 0 H ASN B 103 2.771 -8.842 -6.408 1.00 0.00 H new ATOM 0 HA ASN B 103 1.704 -8.340 -8.953 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.304 -10.390 -6.781 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.179 -10.363 -8.124 1.00 0.00 H new ATOM 0 HD21 ASN B 103 4.043 -11.691 -8.634 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.528 -10.886 -7.147 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.253 -7.554 -6.456 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.493 -6.874 -6.124 1.00 0.00 C ATOM 1643 C TYR B 104 -1.448 -5.429 -6.590 1.00 0.00 C ATOM 1644 O TYR B 104 -2.401 -4.935 -7.191 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.771 -6.953 -4.624 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.529 -8.198 -4.213 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.030 -9.466 -4.483 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.749 -8.100 -3.557 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.727 -10.601 -4.111 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.449 -9.229 -3.181 1.00 0.00 C ATOM 1651 CZ TYR B 104 -3.936 -10.476 -3.461 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.635 -11.603 -3.091 1.00 0.00 O ATOM 0 H TYR B 104 0.352 -7.750 -5.658 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.309 -7.376 -6.644 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.824 -6.920 -4.085 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.341 -6.074 -4.322 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.083 -9.567 -4.992 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -4.157 -7.124 -3.337 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.326 -11.580 -4.329 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.395 -9.135 -2.669 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.466 -11.340 -2.642 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.326 -4.759 -6.353 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.164 -3.383 -6.806 1.00 0.00 C ATOM 1664 C LEU B 105 -0.176 -3.313 -8.328 1.00 0.00 C ATOM 1665 O LEU B 105 -0.573 -2.308 -8.905 1.00 0.00 O ATOM 1666 CB LEU B 105 1.124 -2.751 -6.264 1.00 0.00 C ATOM 1667 CG LEU B 105 1.083 -2.286 -4.800 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.169 -1.465 -4.533 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.158 -3.464 -3.845 1.00 0.00 C ATOM 0 H LEU B 105 0.478 -5.142 -5.855 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.007 -2.814 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.933 -3.474 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.376 -1.895 -6.889 1.00 0.00 H new ATOM 0 HG LEU B 105 1.956 -1.657 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.179 -1.145 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.175 -0.589 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.052 -2.072 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU B 105 1.127 -3.102 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.313 -4.129 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU B 105 2.088 -4.008 -4.010 1.00 0.00 H new ATOM 1681 N ASN B 106 0.247 -4.394 -8.975 1.00 0.00 N ATOM 1682 CA ASN B 106 0.229 -4.467 -10.433 1.00 0.00 C ATOM 1683 C ASN B 106 -1.198 -4.518 -10.961 1.00 0.00 C ATOM 1684 O ASN B 106 -1.494 -3.986 -12.030 1.00 0.00 O ATOM 1685 CB ASN B 106 1.016 -5.681 -10.930 1.00 0.00 C ATOM 1686 CG ASN B 106 2.446 -5.332 -11.286 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.749 -5.012 -12.435 1.00 0.00 O ATOM 1688 ND2 ASN B 106 3.332 -5.378 -10.307 1.00 0.00 N ATOM 0 H ASN B 106 0.606 -5.230 -8.515 1.00 0.00 H new ATOM 0 HA ASN B 106 0.706 -3.564 -10.813 1.00 0.00 H new ATOM 0 HB2 ASN B 106 1.013 -6.453 -10.160 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.518 -6.101 -11.804 1.00 0.00 H new ATOM 0 HD21 ASN B 106 4.307 -5.143 -10.491 1.00 0.00 H new ATOM 0 HD22 ASN B 106 3.041 -5.648 -9.368 1.00 0.00 H new ATOM 1695 N THR B 107 -2.087 -5.149 -10.208 1.00 0.00 N ATOM 1696 CA THR B 107 -3.482 -5.230 -10.609 1.00 0.00 C ATOM 1697 C THR B 107 -4.230 -3.946 -10.251 1.00 0.00 C ATOM 1698 O THR B 107 -5.356 -3.725 -10.706 1.00 0.00 O ATOM 1699 CB THR B 107 -4.192 -6.449 -9.979 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.132 -6.393 -8.546 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.560 -7.747 -10.461 1.00 0.00 C ATOM 0 H THR B 107 -1.869 -5.608 -9.324 1.00 0.00 H new ATOM 0 HA THR B 107 -3.495 -5.356 -11.692 1.00 0.00 H new ATOM 0 HB THR B 107 -5.236 -6.421 -10.291 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.670 -5.574 -8.270 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.074 -8.593 -10.006 1.00 0.00 H new ATOM 0 HG22 THR B 107 -3.644 -7.812 -11.546 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.508 -7.767 -10.177 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.588 -3.101 -9.443 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.173 -1.826 -9.038 1.00 0.00 C ATOM 1711 C LEU B 108 -3.493 -0.675 -9.766 1.00 0.00 C ATOM 1712 O LEU B 108 -3.903 0.481 -9.652 1.00 0.00 O ATOM 1713 CB LEU B 108 -4.037 -1.622 -7.531 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.497 -2.791 -6.667 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -4.281 -2.484 -5.194 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -5.957 -3.124 -6.939 1.00 0.00 C ATOM 0 H LEU B 108 -2.661 -3.279 -9.056 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.231 -1.845 -9.299 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.992 -1.413 -7.303 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.608 -0.737 -7.249 1.00 0.00 H new ATOM 0 HG LEU B 108 -3.897 -3.663 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.615 -3.330 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -3.221 -2.305 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.851 -1.596 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.262 -3.961 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.576 -2.256 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -6.079 -3.394 -7.988 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.443 -1.011 -10.497 1.00 0.00 N ATOM 1729 CA ARG B 109 -1.701 -0.052 -11.299 1.00 0.00 C ATOM 1730 C ARG B 109 -2.553 0.412 -12.475 1.00 0.00 C ATOM 1731 O ARG B 109 -3.499 -0.278 -12.863 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.425 -0.725 -11.818 1.00 0.00 C ATOM 1733 CG ARG B 109 0.456 0.167 -12.676 1.00 0.00 C ATOM 1734 CD ARG B 109 1.205 -0.644 -13.716 1.00 0.00 C ATOM 1735 NE ARG B 109 0.291 -1.299 -14.651 1.00 0.00 N ATOM 1736 CZ ARG B 109 0.589 -2.397 -15.342 1.00 0.00 C ATOM 1737 NH1 ARG B 109 1.786 -2.955 -15.222 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 -0.308 -2.930 -16.160 1.00 0.00 N ATOM 0 H ARG B 109 -2.079 -1.962 -10.551 1.00 0.00 H new ATOM 0 HA ARG B 109 -1.443 0.814 -10.690 1.00 0.00 H new ATOM 0 HB2 ARG B 109 0.157 -1.077 -10.966 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.704 -1.604 -12.398 1.00 0.00 H new ATOM 0 HG2 ARG B 109 -0.156 0.921 -13.170 1.00 0.00 H new ATOM 0 HG3 ARG B 109 1.167 0.698 -12.043 1.00 0.00 H new ATOM 0 HD2 ARG B 109 1.884 0.008 -14.266 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.818 -1.396 -13.219 1.00 0.00 H new ATOM 0 HE ARG B 109 -0.633 -0.888 -14.782 1.00 0.00 H new ATOM 0 HH11 ARG B 109 2.481 -2.543 -14.599 1.00 0.00 H new ATOM 0 HH12 ARG B 109 2.012 -3.796 -15.753 1.00 0.00 H new ATOM 0 HH21 ARG B 109 -1.227 -2.499 -16.260 1.00 0.00 H new ATOM 0 HH22 ARG B 109 -0.079 -3.771 -16.689 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.227 1.575 -13.032 1.00 0.00 N ATOM 1753 CA TYR B 110 -2.868 2.042 -14.253 1.00 0.00 C ATOM 1754 C TYR B 110 -2.830 0.944 -15.310 1.00 0.00 C ATOM 1755 O TYR B 110 -1.771 0.370 -15.582 1.00 0.00 O ATOM 1756 CB TYR B 110 -2.171 3.299 -14.780 1.00 0.00 C ATOM 1757 CG TYR B 110 -2.710 3.779 -16.111 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -3.948 4.403 -16.199 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -1.981 3.601 -17.279 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -4.442 4.837 -17.412 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -2.469 4.031 -18.496 1.00 0.00 C ATOM 1762 CZ TYR B 110 -3.700 4.650 -18.557 1.00 0.00 C ATOM 1763 OH TYR B 110 -4.191 5.080 -19.770 1.00 0.00 O ATOM 0 H TYR B 110 -1.523 2.210 -12.656 1.00 0.00 H new ATOM 0 HA TYR B 110 -3.906 2.290 -14.029 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -2.277 4.098 -14.046 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -1.105 3.098 -14.881 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -4.533 4.551 -15.303 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -1.016 3.118 -17.234 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -5.406 5.321 -17.463 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -1.890 3.884 -19.396 1.00 0.00 H new ATOM 0 HH TYR B 110 -3.544 4.873 -20.477 1.00 0.00 H new ATOM 1773 N GLY B 111 -3.982 0.648 -15.890 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.075 -0.443 -16.832 1.00 0.00 C ATOM 1775 C GLY B 111 -4.115 -1.787 -16.135 1.00 0.00 C ATOM 1776 O GLY B 111 -3.568 -2.772 -16.631 1.00 0.00 O ATOM 0 H GLY B 111 -4.856 1.146 -15.724 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -4.971 -0.322 -17.440 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -3.223 -0.411 -17.511 1.00 0.00 H new ATOM 1780 N GLY B 112 -4.735 -1.816 -14.963 1.00 0.00 N ATOM 1781 CA GLY B 112 -4.900 -3.056 -14.235 1.00 0.00 C ATOM 1782 C GLY B 112 -6.267 -3.657 -14.469 1.00 0.00 C ATOM 1783 O GLY B 112 -6.849 -3.478 -15.539 1.00 0.00 O ATOM 0 H GLY B 112 -5.129 -0.996 -14.502 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -4.132 -3.765 -14.543 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -4.758 -2.875 -13.169 1.00 0.00 H new ATOM 1787 N ILE B 113 -6.793 -4.355 -13.475 1.00 0.00 N ATOM 1788 CA ILE B 113 -8.109 -4.970 -13.596 1.00 0.00 C ATOM 1789 C ILE B 113 -9.112 -4.311 -12.659 1.00 0.00 C ATOM 1790 O ILE B 113 -10.206 -3.932 -13.067 1.00 0.00 O ATOM 1791 CB ILE B 113 -8.064 -6.493 -13.333 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -7.293 -6.812 -12.046 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -7.443 -7.206 -14.521 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -7.282 -8.284 -11.692 1.00 0.00 C ATOM 0 H ILE B 113 -6.333 -4.511 -12.578 1.00 0.00 H new ATOM 0 HA ILE B 113 -8.433 -4.816 -14.625 1.00 0.00 H new ATOM 0 HB ILE B 113 -9.086 -6.849 -13.202 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -6.265 -6.466 -12.153 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -7.733 -6.252 -11.221 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -7.415 -8.278 -14.328 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -8.039 -7.013 -15.413 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -6.429 -6.839 -14.676 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -6.719 -8.432 -10.771 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -8.305 -8.632 -11.552 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -6.814 -8.849 -12.498 1.00 0.00 H new ATOM 1806 N HIS B 114 -8.728 -4.164 -11.403 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.575 -3.510 -10.417 1.00 0.00 C ATOM 1808 C HIS B 114 -8.819 -2.328 -9.845 1.00 0.00 C ATOM 1809 O HIS B 114 -8.756 -2.127 -8.630 1.00 0.00 O ATOM 1810 CB HIS B 114 -9.972 -4.485 -9.300 1.00 0.00 C ATOM 1811 CG HIS B 114 -10.603 -5.752 -9.798 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -10.178 -7.003 -9.414 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -11.626 -5.956 -10.662 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -10.910 -7.921 -10.019 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -11.798 -7.312 -10.781 1.00 0.00 N ATOM 0 H HIS B 114 -7.832 -4.489 -11.040 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.494 -3.170 -10.895 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -9.085 -4.736 -8.718 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.666 -3.986 -8.624 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.200 -5.192 -11.165 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -10.800 -8.990 -9.908 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -12.497 -7.773 -11.363 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.225 -1.557 -10.744 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.322 -0.495 -10.356 1.00 0.00 C ATOM 1826 C TYR B 115 -8.091 0.744 -9.932 1.00 0.00 C ATOM 1827 O TYR B 115 -9.204 0.994 -10.393 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.332 -0.186 -11.492 1.00 0.00 C ATOM 1829 CG TYR B 115 -6.675 1.016 -12.343 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.204 2.279 -12.008 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.447 0.887 -13.486 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -6.500 3.381 -12.785 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -7.746 1.982 -14.272 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.270 3.227 -13.917 1.00 0.00 C ATOM 1835 OH TYR B 115 -7.563 4.323 -14.698 1.00 0.00 O ATOM 0 H TYR B 115 -8.356 -1.652 -11.751 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.745 -0.830 -9.494 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.344 -0.033 -11.058 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.264 -1.060 -12.139 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -5.596 2.401 -11.124 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -7.821 -0.086 -13.767 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -6.131 4.357 -12.507 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -8.349 1.864 -15.160 1.00 0.00 H new ATOM 0 HH TYR B 115 -8.114 4.044 -15.459 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.483 1.508 -9.045 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.112 2.693 -8.493 1.00 0.00 C ATOM 1847 C ASN B 116 -7.273 3.920 -8.778 1.00 0.00 C ATOM 1848 O ASN B 116 -6.044 3.871 -8.744 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.310 2.524 -6.989 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.593 1.792 -6.659 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -10.621 2.413 -6.409 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -9.550 0.469 -6.676 1.00 0.00 N ATOM 0 H ASN B 116 -6.545 1.327 -8.688 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.085 2.826 -8.965 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.464 1.977 -6.572 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.321 3.505 -6.513 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.392 -0.071 -6.477 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -8.675 -0.010 -6.889 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.956 5.021 -9.051 1.00 0.00 N ATOM 1860 CA GLU B 117 -7.309 6.270 -9.422 1.00 0.00 C ATOM 1861 C GLU B 117 -6.488 6.831 -8.269 1.00 0.00 C ATOM 1862 O GLU B 117 -5.516 7.550 -8.490 1.00 0.00 O ATOM 1863 CB GLU B 117 -8.340 7.307 -9.902 1.00 0.00 C ATOM 1864 CG GLU B 117 -9.549 7.476 -8.990 1.00 0.00 C ATOM 1865 CD GLU B 117 -10.564 6.359 -9.141 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -11.396 6.424 -10.066 1.00 0.00 O1- ATOM 1867 OE2 GLU B 117 -10.520 5.400 -8.347 1.00 0.00 O ATOM 0 H GLU B 117 -8.974 5.074 -9.022 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.631 6.054 -10.247 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -7.843 8.272 -10.005 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -8.688 7.020 -10.894 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.213 7.517 -7.954 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -10.031 8.429 -9.207 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.873 6.498 -7.042 1.00 0.00 N ATOM 1875 CA ALA B 118 -6.109 6.915 -5.879 1.00 0.00 C ATOM 1876 C ALA B 118 -4.881 6.029 -5.708 1.00 0.00 C ATOM 1877 O ALA B 118 -3.795 6.524 -5.446 1.00 0.00 O ATOM 1878 CB ALA B 118 -6.968 6.890 -4.627 1.00 0.00 C ATOM 0 H ALA B 118 -7.703 5.945 -6.831 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.778 7.941 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.372 7.206 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.813 7.568 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.336 5.878 -4.459 1.00 0.00 H new ATOM 1884 N ILE B 119 -5.064 4.716 -5.863 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.943 3.771 -5.825 1.00 0.00 C ATOM 1886 C ILE B 119 -2.900 4.124 -6.887 1.00 0.00 C ATOM 1887 O ILE B 119 -1.694 4.061 -6.633 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.412 2.312 -6.040 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.413 1.902 -4.954 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -3.220 1.359 -6.044 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -4.824 1.878 -3.561 1.00 0.00 C ATOM 0 H ILE B 119 -5.975 4.283 -6.016 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.498 3.849 -4.833 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.907 2.254 -7.010 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.256 2.593 -4.970 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.806 0.913 -5.190 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.571 0.338 -6.196 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.538 1.633 -6.849 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.699 1.425 -5.089 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.591 1.579 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -3.999 1.166 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.456 2.872 -3.304 1.00 0.00 H new ATOM 1903 N GLU B 120 -3.373 4.498 -8.071 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.493 4.934 -9.146 1.00 0.00 C ATOM 1905 C GLU B 120 -1.620 6.094 -8.680 1.00 0.00 C ATOM 1906 O GLU B 120 -0.394 6.018 -8.722 1.00 0.00 O ATOM 1907 CB GLU B 120 -3.312 5.364 -10.363 1.00 0.00 C ATOM 1908 CG GLU B 120 -2.461 5.873 -11.516 1.00 0.00 C ATOM 1909 CD GLU B 120 -3.286 6.554 -12.584 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -3.592 7.751 -12.428 1.00 0.00 O1- ATOM 1911 OE2 GLU B 120 -3.639 5.898 -13.581 1.00 0.00 O ATOM 0 H GLU B 120 -4.365 4.507 -8.310 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.853 4.097 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -3.908 4.519 -10.707 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -4.010 6.146 -10.064 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -1.717 6.572 -11.134 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -1.916 5.039 -11.958 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.253 7.158 -8.211 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.521 8.330 -7.759 1.00 0.00 C ATOM 1920 C GLU B 121 -0.724 8.014 -6.497 1.00 0.00 C ATOM 1921 O GLU B 121 0.321 8.611 -6.252 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.476 9.498 -7.524 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.270 9.867 -8.766 1.00 0.00 C ATOM 1924 CD GLU B 121 -4.126 11.097 -8.577 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -5.259 10.972 -8.066 1.00 0.00 O ATOM 1926 OE2 GLU B 121 -3.681 12.197 -8.958 1.00 0.00 O1- ATOM 0 H GLU B 121 -3.267 7.234 -8.134 1.00 0.00 H new ATOM 0 HA GLU B 121 -0.816 8.619 -8.538 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.166 9.242 -6.720 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -1.907 10.366 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -2.581 10.034 -9.594 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -3.907 9.028 -9.046 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.219 7.063 -5.712 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.529 6.604 -4.511 1.00 0.00 C ATOM 1935 C PHE B 122 0.884 6.155 -4.847 1.00 0.00 C ATOM 1936 O PHE B 122 1.851 6.702 -4.324 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.309 5.458 -3.848 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.561 4.765 -2.740 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -0.503 5.316 -1.471 1.00 0.00 C ATOM 1940 CD2 PHE B 122 0.092 3.564 -2.973 1.00 0.00 C ATOM 1941 CE1 PHE B 122 0.191 4.681 -0.456 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.787 2.928 -1.965 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.837 3.489 -0.705 1.00 0.00 C ATOM 0 H PHE B 122 -2.105 6.590 -5.889 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.471 7.436 -3.809 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.244 5.852 -3.450 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.572 4.723 -4.609 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.005 6.251 -1.271 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.056 3.120 -3.957 1.00 0.00 H new ATOM 0 HE1 PHE B 122 0.226 5.119 0.531 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.291 1.993 -2.162 1.00 0.00 H new ATOM 0 HZ PHE B 122 1.382 2.994 0.085 1.00 0.00 H new ATOM 1953 N CYS B 123 1.002 5.176 -5.737 1.00 0.00 N ATOM 1954 CA CYS B 123 2.308 4.654 -6.110 1.00 0.00 C ATOM 1955 C CYS B 123 3.161 5.744 -6.756 1.00 0.00 C ATOM 1956 O CYS B 123 4.366 5.798 -6.535 1.00 0.00 O ATOM 1957 CB CYS B 123 2.168 3.441 -7.043 1.00 0.00 C ATOM 1958 SG CYS B 123 1.303 3.760 -8.597 1.00 0.00 S ATOM 0 H CYS B 123 0.215 4.732 -6.210 1.00 0.00 H new ATOM 0 HA CYS B 123 2.813 4.322 -5.203 1.00 0.00 H new ATOM 0 HB2 CYS B 123 3.164 3.062 -7.272 1.00 0.00 H new ATOM 0 HB3 CYS B 123 1.641 2.651 -6.508 1.00 0.00 H new ATOM 0 HG CYS B 123 0.673 4.894 -8.518 1.00 0.00 H new ATOM 1964 N GLN B 124 2.524 6.644 -7.505 1.00 0.00 N ATOM 1965 CA GLN B 124 3.249 7.691 -8.223 1.00 0.00 C ATOM 1966 C GLN B 124 3.827 8.727 -7.263 1.00 0.00 C ATOM 1967 O GLN B 124 5.044 8.880 -7.172 1.00 0.00 O ATOM 1968 CB GLN B 124 2.340 8.384 -9.242 1.00 0.00 C ATOM 1969 CG GLN B 124 1.800 7.459 -10.320 1.00 0.00 C ATOM 1970 CD GLN B 124 2.885 6.678 -11.023 1.00 0.00 C ATOM 1971 OE1 GLN B 124 3.473 7.137 -12.002 1.00 0.00 O ATOM 1972 NE2 GLN B 124 3.125 5.472 -10.551 1.00 0.00 N ATOM 0 H GLN B 124 1.512 6.669 -7.630 1.00 0.00 H new ATOM 0 HA GLN B 124 4.073 7.210 -8.750 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.501 8.839 -8.715 1.00 0.00 H new ATOM 0 HB3 GLN B 124 2.895 9.193 -9.717 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.091 6.763 -9.872 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.249 8.047 -11.054 1.00 0.00 H new ATOM 0 HE21 GLN B 124 2.614 5.132 -9.737 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.822 4.878 -11.000 1.00 0.00 H new ATOM 1981 N ILE B 125 2.949 9.419 -6.537 1.00 0.00 N ATOM 1982 CA ILE B 125 3.359 10.487 -5.624 1.00 0.00 C ATOM 1983 C ILE B 125 4.341 9.958 -4.583 1.00 0.00 C ATOM 1984 O ILE B 125 5.277 10.650 -4.176 1.00 0.00 O ATOM 1985 CB ILE B 125 2.135 11.107 -4.907 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.104 11.585 -5.931 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.554 12.265 -4.004 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.225 11.966 -5.317 1.00 0.00 C ATOM 0 H ILE B 125 1.942 9.258 -6.564 1.00 0.00 H new ATOM 0 HA ILE B 125 3.847 11.259 -6.220 1.00 0.00 H new ATOM 0 HB ILE B 125 1.684 10.335 -4.283 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.507 12.444 -6.467 1.00 0.00 H new ATOM 0 HG13 ILE B 125 0.943 10.797 -6.667 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.674 12.681 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.253 11.904 -3.250 1.00 0.00 H new ATOM 0 HG23 ILE B 125 3.035 13.038 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.907 12.295 -6.101 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.650 11.103 -4.805 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.077 12.775 -4.602 1.00 0.00 H new ATOM 2000 N LEU B 126 4.128 8.714 -4.177 1.00 0.00 N ATOM 2001 CA LEU B 126 4.962 8.084 -3.172 1.00 0.00 C ATOM 2002 C LEU B 126 6.344 7.749 -3.725 1.00 0.00 C ATOM 2003 O LEU B 126 7.356 8.161 -3.156 1.00 0.00 O ATOM 2004 CB LEU B 126 4.287 6.820 -2.647 1.00 0.00 C ATOM 2005 CG LEU B 126 5.032 6.112 -1.524 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.298 7.071 -0.382 1.00 0.00 C ATOM 2007 CD2 LEU B 126 4.238 4.908 -1.051 1.00 0.00 C ATOM 0 H LEU B 126 3.379 8.121 -4.533 1.00 0.00 H new ATOM 0 HA LEU B 126 5.091 8.791 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.289 7.079 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.161 6.123 -3.475 1.00 0.00 H new ATOM 0 HG LEU B 126 5.993 5.762 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.831 6.551 0.413 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.903 7.904 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.351 7.450 0.003 1.00 0.00 H new ATOM 0 HD21 LEU B 126 4.779 4.408 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU B 126 3.265 5.235 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU B 126 4.099 4.215 -1.881 1.00 0.00 H new ATOM 2019 N LEU B 127 6.396 7.024 -4.845 1.00 0.00 N ATOM 2020 CA LEU B 127 7.677 6.586 -5.393 1.00 0.00 C ATOM 2021 C LEU B 127 8.480 7.797 -5.841 1.00 0.00 C ATOM 2022 O LEU B 127 9.713 7.783 -5.829 1.00 0.00 O ATOM 2023 CB LEU B 127 7.492 5.587 -6.557 1.00 0.00 C ATOM 2024 CG LEU B 127 7.159 6.184 -7.938 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.426 6.608 -8.674 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.375 5.186 -8.775 1.00 0.00 C ATOM 0 H LEU B 127 5.579 6.733 -5.381 1.00 0.00 H new ATOM 0 HA LEU B 127 8.223 6.062 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.407 5.002 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.696 4.893 -6.286 1.00 0.00 H new ATOM 0 HG LEU B 127 6.545 7.070 -7.780 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.160 7.025 -9.645 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.953 7.361 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU B 127 9.072 5.741 -8.816 1.00 0.00 H new ATOM 0 HD21 LEU B 127 6.149 5.625 -9.747 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.968 4.282 -8.914 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.445 4.934 -8.265 1.00 0.00 H new ATOM 2038 N ASP B 128 7.758 8.840 -6.234 1.00 0.00 N ATOM 2039 CA ASP B 128 8.358 10.095 -6.656 1.00 0.00 C ATOM 2040 C ASP B 128 9.276 10.625 -5.571 1.00 0.00 C ATOM 2041 O ASP B 128 10.446 10.926 -5.813 1.00 0.00 O ATOM 2042 CB ASP B 128 7.257 11.113 -6.945 1.00 0.00 C ATOM 2043 CG ASP B 128 7.786 12.435 -7.462 1.00 0.00 C ATOM 2044 OD1 ASP B 128 7.945 12.581 -8.694 1.00 0.00 O1- ATOM 2045 OD2 ASP B 128 8.027 13.343 -6.641 1.00 0.00 O ATOM 0 H ASP B 128 6.739 8.837 -6.268 1.00 0.00 H new ATOM 0 HA ASP B 128 8.943 9.926 -7.560 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.567 10.694 -7.677 1.00 0.00 H new ATOM 0 HB3 ASP B 128 6.686 11.289 -6.033 1.00 0.00 H new ATOM 2050 N LYS B 129 8.743 10.693 -4.364 1.00 0.00 N ATOM 2051 CA LYS B 129 9.484 11.205 -3.227 1.00 0.00 C ATOM 2052 C LYS B 129 10.465 10.158 -2.702 1.00 0.00 C ATOM 2053 O LYS B 129 11.531 10.498 -2.193 1.00 0.00 O ATOM 2054 CB LYS B 129 8.519 11.634 -2.125 1.00 0.00 C ATOM 2055 CG LYS B 129 7.457 12.617 -2.595 1.00 0.00 C ATOM 2056 CD LYS B 129 8.072 13.916 -3.089 1.00 0.00 C ATOM 2057 CE LYS B 129 7.013 14.865 -3.626 1.00 0.00 C ATOM 2058 NZ LYS B 129 6.326 14.316 -4.825 1.00 0.00 N1+ ATOM 0 H LYS B 129 7.792 10.397 -4.146 1.00 0.00 H new ATOM 0 HA LYS B 129 10.058 12.073 -3.550 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.029 10.750 -1.718 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.087 12.086 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS B 129 6.871 12.165 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS B 129 6.769 12.828 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS B 129 8.613 14.397 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS B 129 8.800 13.701 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.277 15.065 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS B 129 7.476 15.819 -3.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 5.977 15.099 -5.414 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 6.995 13.740 -5.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 5.525 13.725 -4.526 1.00 0.00 H new ATOM 2072 N LEU B 130 10.109 8.883 -2.847 1.00 0.00 N ATOM 2073 CA LEU B 130 10.988 7.788 -2.428 1.00 0.00 C ATOM 2074 C LEU B 130 12.274 7.776 -3.247 1.00 0.00 C ATOM 2075 O LEU B 130 13.320 7.350 -2.768 1.00 0.00 O ATOM 2076 CB LEU B 130 10.281 6.435 -2.557 1.00 0.00 C ATOM 2077 CG LEU B 130 9.193 6.157 -1.516 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.375 4.939 -1.915 1.00 0.00 C ATOM 2079 CD2 LEU B 130 9.812 5.943 -0.142 1.00 0.00 C ATOM 0 H LEU B 130 9.222 8.581 -3.250 1.00 0.00 H new ATOM 0 HA LEU B 130 11.240 7.954 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.834 6.371 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.030 5.646 -2.493 1.00 0.00 H new ATOM 0 HG LEU B 130 8.533 7.023 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU B 130 7.606 4.755 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU B 130 7.903 5.118 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.028 4.069 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.024 5.747 0.585 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.493 5.092 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.363 6.836 0.152 1.00 0.00 H new ATOM 2091 N ASN B 131 12.193 8.236 -4.486 1.00 0.00 N ATOM 2092 CA ASN B 131 13.378 8.345 -5.328 1.00 0.00 C ATOM 2093 C ASN B 131 14.012 9.722 -5.192 1.00 0.00 C ATOM 2094 O ASN B 131 15.154 9.935 -5.592 1.00 0.00 O ATOM 2095 CB ASN B 131 13.038 8.062 -6.796 1.00 0.00 C ATOM 2096 CG ASN B 131 12.864 6.582 -7.084 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.824 5.884 -7.418 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.642 6.087 -6.954 1.00 0.00 N ATOM 0 H ASN B 131 11.326 8.538 -4.930 1.00 0.00 H new ATOM 0 HA ASN B 131 14.095 7.596 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN B 131 12.121 8.589 -7.060 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.829 8.461 -7.431 1.00 0.00 H new ATOM 0 HD21 ASN B 131 11.471 5.097 -7.132 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.872 6.696 -6.676 1.00 0.00 H new ATOM 2105 N ALA B 132 13.273 10.652 -4.598 1.00 0.00 N ATOM 2106 CA ALA B 132 13.750 12.023 -4.437 1.00 0.00 C ATOM 2107 C ALA B 132 14.542 12.194 -3.148 1.00 0.00 C ATOM 2108 O ALA B 132 15.083 13.266 -2.869 1.00 0.00 O ATOM 2109 CB ALA B 132 12.590 13.006 -4.485 1.00 0.00 C ATOM 0 H ALA B 132 12.341 10.483 -4.219 1.00 0.00 H new ATOM 0 HA ALA B 132 14.421 12.236 -5.269 1.00 0.00 H new ATOM 0 HB1 ALA B 132 12.968 14.021 -4.363 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.081 12.921 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA B 132 11.889 12.781 -3.681 1.00 0.00 H new