USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 SER OG : rot -145:sc= 0.905 USER MOD Set 1.2: B 144 SER OG : rot -83:sc= 1.24 USER MOD Single : A 15 SER OG : rot 86:sc= 0.807 USER MOD Single : A 20 GLN : amide:sc= 0.0466 X(o=0.047,f=0) USER MOD Single : A 22 MET CE :methyl 168:sc= -0.438 (180deg=-0.577) USER MOD Single : A 34 MET CE :methyl -171:sc= 0 (180deg=-0.176) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 39 GLN : amide:sc= 0.775 K(o=0.78,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 74:sc= 0.789 USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= 1.27 (180deg=1.09) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= 2.25 (180deg=1.79) USER MOD Single : A 55 ASN : amide:sc= -0.0267 K(o=-0.027,f=-0.89) USER MOD Single : B 115 SER OG : rot 86:sc= 0.776 USER MOD Single : B 120 GLN : amide:sc= 0.612 K(o=0.61,f=0) USER MOD Single : B 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 133 SER OG : rot 180:sc= 0 USER MOD Single : B 134 MET CE :methyl -172:sc= -0.0738 (180deg=-0.206) USER MOD Single : B 135 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : B 138 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : B 139 GLN : amide:sc= 0.942 K(o=0.94,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 THR OG1 : rot 71:sc= 0.511 USER MOD Single : B 149 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.12) USER MOD Single : B 152 LYS NZ :NH3+ 175:sc= 2.17 (180deg=2.11) USER MOD Single : B 155 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : B 156 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.759 12.650 0.589 1.00 0.00 N ATOM 115 CA PRO A 10 -10.749 11.786 -0.056 1.00 0.00 C ATOM 116 C PRO A 10 -10.116 10.627 -0.845 1.00 0.00 C ATOM 117 O PRO A 10 -8.936 10.653 -1.212 1.00 0.00 O ATOM 118 CB PRO A 10 -11.582 12.707 -0.958 1.00 0.00 C ATOM 119 CG PRO A 10 -10.609 13.838 -1.282 1.00 0.00 C ATOM 120 CD PRO A 10 -9.816 13.989 0.013 1.00 0.00 C ATOM 0 HA PRO A 10 -11.367 11.290 0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.919 12.194 -1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.473 13.074 -0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.964 13.587 -2.124 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.132 14.758 -1.545 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.816 14.376 -0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.302 14.689 0.692 1.00 0.00 H new ATOM 128 N ILE A 11 -10.934 9.610 -1.138 1.00 0.00 N ATOM 129 CA ILE A 11 -10.489 8.346 -1.742 1.00 0.00 C ATOM 130 C ILE A 11 -9.864 8.494 -3.142 1.00 0.00 C ATOM 131 O ILE A 11 -8.972 7.725 -3.505 1.00 0.00 O ATOM 132 CB ILE A 11 -11.641 7.325 -1.707 1.00 0.00 C ATOM 133 CG1 ILE A 11 -11.114 5.927 -2.081 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.832 7.723 -2.604 1.00 0.00 C ATOM 135 CD1 ILE A 11 -12.039 4.805 -1.604 1.00 0.00 C ATOM 0 H ILE A 11 -11.938 9.641 -0.960 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.665 7.972 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.025 7.309 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.999 5.863 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.124 5.787 -1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.610 6.962 -2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.232 8.682 -2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.497 7.806 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.621 3.841 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.134 4.848 -0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.022 4.926 -2.059 1.00 0.00 H new ATOM 147 N ASP A 12 -10.271 9.510 -3.908 1.00 0.00 N ATOM 148 CA ASP A 12 -9.691 9.817 -5.224 1.00 0.00 C ATOM 149 C ASP A 12 -8.197 10.176 -5.131 1.00 0.00 C ATOM 150 O ASP A 12 -7.418 9.828 -6.023 1.00 0.00 O ATOM 151 CB ASP A 12 -10.449 10.988 -5.870 1.00 0.00 C ATOM 152 CG ASP A 12 -11.945 10.738 -6.141 1.00 0.00 C ATOM 153 OD1 ASP A 12 -12.379 9.567 -6.269 1.00 0.00 O ATOM 154 OD2 ASP A 12 -12.699 11.734 -6.279 1.00 0.00 O1- ATOM 0 H ASP A 12 -11.017 10.149 -3.633 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.786 8.919 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.355 11.860 -5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.963 11.237 -6.813 1.00 0.00 H new ATOM 159 N GLU A 13 -7.779 10.851 -4.053 1.00 0.00 N ATOM 160 CA GLU A 13 -6.395 11.293 -3.856 1.00 0.00 C ATOM 161 C GLU A 13 -5.480 10.149 -3.411 1.00 0.00 C ATOM 162 O GLU A 13 -4.451 9.921 -4.044 1.00 0.00 O ATOM 163 CB GLU A 13 -6.327 12.457 -2.851 1.00 0.00 C ATOM 164 CG GLU A 13 -7.064 13.720 -3.311 1.00 0.00 C ATOM 165 CD GLU A 13 -6.534 14.314 -4.634 1.00 0.00 C ATOM 166 OE1 GLU A 13 -5.306 14.283 -4.888 1.00 0.00 O ATOM 167 OE2 GLU A 13 -7.344 14.857 -5.426 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.400 11.108 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.034 11.643 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.748 12.128 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.282 12.705 -2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.122 13.487 -3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.988 14.476 -2.530 1.00 0.00 H new ATOM 174 N LEU A 14 -5.843 9.379 -2.377 1.00 0.00 N ATOM 175 CA LEU A 14 -5.024 8.245 -1.919 1.00 0.00 C ATOM 176 C LEU A 14 -4.894 7.141 -2.987 1.00 0.00 C ATOM 177 O LEU A 14 -3.832 6.529 -3.107 1.00 0.00 O ATOM 178 CB LEU A 14 -5.538 7.730 -0.563 1.00 0.00 C ATOM 179 CG LEU A 14 -6.961 7.133 -0.568 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.942 5.613 -0.730 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.677 7.456 0.746 1.00 0.00 C ATOM 0 H LEU A 14 -6.699 9.519 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.005 8.599 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.847 6.970 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.512 8.553 0.151 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.484 7.577 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.964 5.234 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.460 5.354 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.388 5.166 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.680 7.029 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.117 7.032 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.745 8.537 0.867 1.00 0.00 H new ATOM 193 N SER A 15 -5.928 6.942 -3.815 1.00 0.00 N ATOM 194 CA SER A 15 -5.874 6.017 -4.958 1.00 0.00 C ATOM 195 C SER A 15 -4.974 6.542 -6.087 1.00 0.00 C ATOM 196 O SER A 15 -4.287 5.753 -6.736 1.00 0.00 O ATOM 197 CB SER A 15 -7.273 5.739 -5.510 1.00 0.00 C ATOM 198 OG SER A 15 -8.133 5.206 -4.515 1.00 0.00 O ATOM 0 H SER A 15 -6.825 7.416 -3.713 1.00 0.00 H new ATOM 0 HA SER A 15 -5.444 5.089 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.699 6.662 -5.903 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.203 5.040 -6.343 1.00 0.00 H new ATOM 0 HG SER A 15 -8.538 5.939 -4.006 1.00 0.00 H new ATOM 204 N ALA A 16 -4.911 7.860 -6.309 1.00 0.00 N ATOM 205 CA ALA A 16 -3.933 8.462 -7.222 1.00 0.00 C ATOM 206 C ALA A 16 -2.496 8.412 -6.676 1.00 0.00 C ATOM 207 O ALA A 16 -1.564 8.225 -7.456 1.00 0.00 O ATOM 208 CB ALA A 16 -4.353 9.904 -7.534 1.00 0.00 C ATOM 0 H ALA A 16 -5.532 8.535 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.926 7.873 -8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.629 10.355 -8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.337 9.903 -8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.392 10.480 -6.609 1.00 0.00 H new ATOM 214 N LEU A 17 -2.292 8.556 -5.365 1.00 0.00 N ATOM 215 CA LEU A 17 -0.970 8.492 -4.734 1.00 0.00 C ATOM 216 C LEU A 17 -0.321 7.113 -4.924 1.00 0.00 C ATOM 217 O LEU A 17 0.807 7.054 -5.413 1.00 0.00 O ATOM 218 CB LEU A 17 -1.068 8.899 -3.253 1.00 0.00 C ATOM 219 CG LEU A 17 -0.671 10.367 -2.974 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.469 11.415 -3.753 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.838 10.660 -1.482 1.00 0.00 C ATOM 0 H LEU A 17 -3.049 8.723 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.312 9.207 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.090 8.739 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.428 8.242 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 17 0.363 10.452 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.116 12.412 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.334 11.254 -4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.526 11.326 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.559 11.694 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.877 10.502 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.197 9.993 -0.906 1.00 0.00 H new ATOM 233 N LEU A 18 -1.013 6.004 -4.624 1.00 0.00 N ATOM 234 CA LEU A 18 -0.426 4.663 -4.801 1.00 0.00 C ATOM 235 C LEU A 18 -0.121 4.337 -6.276 1.00 0.00 C ATOM 236 O LEU A 18 0.914 3.734 -6.570 1.00 0.00 O ATOM 237 CB LEU A 18 -1.287 3.602 -4.079 1.00 0.00 C ATOM 238 CG LEU A 18 -2.611 3.218 -4.772 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.456 2.003 -5.695 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.664 2.856 -3.729 1.00 0.00 C ATOM 0 H LEU A 18 -1.967 6.005 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 18 0.553 4.648 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.689 2.699 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.517 3.969 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.910 4.085 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.415 1.773 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.723 2.226 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.119 1.145 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.594 2.587 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.313 2.011 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.838 3.711 -3.076 1.00 0.00 H new ATOM 252 N ARG A 19 -0.967 4.794 -7.208 1.00 0.00 N ATOM 253 CA ARG A 19 -0.761 4.631 -8.660 1.00 0.00 C ATOM 254 C ARG A 19 0.437 5.441 -9.171 1.00 0.00 C ATOM 255 O ARG A 19 1.242 4.924 -9.945 1.00 0.00 O ATOM 256 CB ARG A 19 -2.065 4.991 -9.395 1.00 0.00 C ATOM 257 CG ARG A 19 -3.145 3.918 -9.152 1.00 0.00 C ATOM 258 CD ARG A 19 -4.522 4.304 -9.708 1.00 0.00 C ATOM 259 NE ARG A 19 -4.520 4.381 -11.183 1.00 0.00 N ATOM 260 CZ ARG A 19 -5.529 4.166 -12.007 1.00 0.00 C ATOM 261 NH1 ARG A 19 -6.738 3.937 -11.580 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -5.334 4.189 -13.294 1.00 0.00 N ATOM 0 H ARG A 19 -1.825 5.294 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.516 3.589 -8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.426 5.961 -9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.872 5.083 -10.464 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.826 2.982 -9.610 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.232 3.736 -8.081 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.262 3.572 -9.384 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.823 5.267 -9.295 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.632 4.630 -11.618 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.930 3.919 -10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.492 3.775 -12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.402 4.373 -13.665 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.113 4.023 -13.931 1.00 0.00 H new ATOM 276 N GLN A 20 0.607 6.675 -8.690 1.00 0.00 N ATOM 277 CA GLN A 20 1.760 7.525 -9.007 1.00 0.00 C ATOM 278 C GLN A 20 3.065 7.031 -8.357 1.00 0.00 C ATOM 279 O GLN A 20 4.120 7.100 -8.986 1.00 0.00 O ATOM 280 CB GLN A 20 1.465 8.983 -8.621 1.00 0.00 C ATOM 281 CG GLN A 20 0.469 9.639 -9.599 1.00 0.00 C ATOM 282 CD GLN A 20 -0.004 10.999 -9.096 1.00 0.00 C ATOM 283 OE1 GLN A 20 0.312 12.050 -9.640 1.00 0.00 O ATOM 284 NE2 GLN A 20 -0.766 11.023 -8.023 1.00 0.00 N ATOM 0 H GLN A 20 -0.061 7.119 -8.060 1.00 0.00 H new ATOM 0 HA GLN A 20 1.918 7.466 -10.084 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.059 9.017 -7.610 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.394 9.552 -8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.941 9.756 -10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.391 8.983 -9.737 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.032 10.150 -7.567 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.091 11.914 -7.648 1.00 0.00 H new ATOM 293 N GLU A 21 3.025 6.471 -7.142 1.00 0.00 N ATOM 294 CA GLU A 21 4.195 5.843 -6.502 1.00 0.00 C ATOM 295 C GLU A 21 4.675 4.578 -7.240 1.00 0.00 C ATOM 296 O GLU A 21 5.876 4.312 -7.281 1.00 0.00 O ATOM 297 CB GLU A 21 3.913 5.507 -5.025 1.00 0.00 C ATOM 298 CG GLU A 21 3.870 6.721 -4.077 1.00 0.00 C ATOM 299 CD GLU A 21 5.198 7.489 -3.936 1.00 0.00 C ATOM 300 OE1 GLU A 21 5.187 8.572 -3.304 1.00 0.00 O ATOM 301 OE2 GLU A 21 6.255 7.025 -4.426 1.00 0.00 O1- ATOM 0 H GLU A 21 2.180 6.439 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 21 4.996 6.581 -6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.959 4.983 -4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.679 4.817 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.105 7.412 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.559 6.380 -3.089 1.00 0.00 H new ATOM 308 N MET A 22 3.762 3.827 -7.869 1.00 0.00 N ATOM 309 CA MET A 22 4.084 2.708 -8.774 1.00 0.00 C ATOM 310 C MET A 22 4.476 3.152 -10.199 1.00 0.00 C ATOM 311 O MET A 22 4.923 2.326 -11.001 1.00 0.00 O ATOM 312 CB MET A 22 2.904 1.726 -8.800 1.00 0.00 C ATOM 313 CG MET A 22 2.687 1.066 -7.435 1.00 0.00 C ATOM 314 SD MET A 22 1.211 0.025 -7.379 1.00 0.00 S ATOM 315 CE MET A 22 0.745 0.253 -5.644 1.00 0.00 C ATOM 0 H MET A 22 2.759 3.980 -7.763 1.00 0.00 H new ATOM 0 HA MET A 22 4.972 2.215 -8.378 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.998 2.254 -9.097 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.086 0.957 -9.551 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.560 0.462 -7.187 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.608 1.840 -6.672 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.258 -0.142 -5.482 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.452 -0.277 -5.005 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.760 1.315 -5.400 1.00 0.00 H new ATOM 325 N GLY A 23 4.347 4.442 -10.527 1.00 0.00 N ATOM 326 CA GLY A 23 4.720 5.015 -11.826 1.00 0.00 C ATOM 327 C GLY A 23 3.713 4.750 -12.960 1.00 0.00 C ATOM 328 O GLY A 23 4.110 4.698 -14.125 1.00 0.00 O ATOM 0 H GLY A 23 3.971 5.135 -9.880 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.842 6.092 -11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.690 4.614 -12.119 1.00 0.00 H new ATOM 420 N MET A 34 -16.682 -5.510 -4.079 1.00 0.00 N ATOM 421 CA MET A 34 -15.607 -6.233 -3.370 1.00 0.00 C ATOM 422 C MET A 34 -14.375 -6.474 -4.266 1.00 0.00 C ATOM 423 O MET A 34 -13.242 -6.386 -3.803 1.00 0.00 O ATOM 424 CB MET A 34 -16.175 -7.563 -2.837 1.00 0.00 C ATOM 425 CG MET A 34 -15.212 -8.346 -1.926 1.00 0.00 C ATOM 426 SD MET A 34 -15.526 -8.244 -0.137 1.00 0.00 S ATOM 427 CE MET A 34 -15.086 -6.521 0.192 1.00 0.00 C ATOM 0 HA MET A 34 -15.261 -5.618 -2.539 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.092 -7.357 -2.285 1.00 0.00 H new ATOM 0 HB3 MET A 34 -16.448 -8.193 -3.684 1.00 0.00 H new ATOM 0 HG2 MET A 34 -15.243 -9.396 -2.219 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.199 -7.992 -2.116 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.072 -6.348 1.268 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.100 -6.312 -0.222 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.821 -5.863 -0.272 1.00 0.00 H new ATOM 437 N GLN A 35 -14.579 -6.690 -5.571 1.00 0.00 N ATOM 438 CA GLN A 35 -13.495 -6.910 -6.536 1.00 0.00 C ATOM 439 C GLN A 35 -12.633 -5.654 -6.768 1.00 0.00 C ATOM 440 O GLN A 35 -11.419 -5.767 -6.964 1.00 0.00 O ATOM 441 CB GLN A 35 -14.071 -7.397 -7.880 1.00 0.00 C ATOM 442 CG GLN A 35 -14.872 -8.706 -7.749 1.00 0.00 C ATOM 443 CD GLN A 35 -15.443 -9.203 -9.081 1.00 0.00 C ATOM 444 OE1 GLN A 35 -15.275 -8.615 -10.145 1.00 0.00 O ATOM 445 NE2 GLN A 35 -16.144 -10.318 -9.078 1.00 0.00 N ATOM 0 H GLN A 35 -15.508 -6.717 -5.990 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.845 -7.673 -6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.716 -6.622 -8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.255 -7.545 -8.587 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.228 -9.477 -7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.690 -8.554 -7.045 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.296 -10.823 -8.205 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.535 -10.677 -9.949 1.00 0.00 H new ATOM 454 N ASP A 36 -13.226 -4.454 -6.713 1.00 0.00 N ATOM 455 CA ASP A 36 -12.495 -3.181 -6.852 1.00 0.00 C ATOM 456 C ASP A 36 -11.552 -2.932 -5.664 1.00 0.00 C ATOM 457 O ASP A 36 -10.366 -2.655 -5.859 1.00 0.00 O ATOM 458 CB ASP A 36 -13.482 -2.014 -7.027 1.00 0.00 C ATOM 459 CG ASP A 36 -14.411 -2.180 -8.243 1.00 0.00 C ATOM 460 OD1 ASP A 36 -13.913 -2.445 -9.363 1.00 0.00 O ATOM 461 OD2 ASP A 36 -15.648 -2.030 -8.077 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.229 -4.335 -6.571 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.874 -3.249 -7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.088 -1.921 -6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.921 -1.085 -7.131 1.00 0.00 H new ATOM 466 N ILE A 37 -12.052 -3.104 -4.433 1.00 0.00 N ATOM 467 CA ILE A 37 -11.249 -2.980 -3.207 1.00 0.00 C ATOM 468 C ILE A 37 -10.192 -4.094 -3.082 1.00 0.00 C ATOM 469 O ILE A 37 -9.051 -3.802 -2.728 1.00 0.00 O ATOM 470 CB ILE A 37 -12.156 -2.843 -1.958 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.316 -2.610 -0.683 1.00 0.00 C ATOM 472 CG2 ILE A 37 -13.127 -4.017 -1.785 1.00 0.00 C ATOM 473 CD1 ILE A 37 -12.149 -2.399 0.586 1.00 0.00 C ATOM 0 H ILE A 37 -13.030 -3.334 -4.258 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.676 -2.055 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.777 -1.963 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.657 -3.465 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.679 -1.739 -0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.733 -3.860 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.777 -4.083 -2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.563 -4.944 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.484 -2.242 1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.789 -1.526 0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.767 -3.279 0.766 1.00 0.00 H new ATOM 485 N GLN A 38 -10.512 -5.341 -3.454 1.00 0.00 N ATOM 486 CA GLN A 38 -9.525 -6.439 -3.484 1.00 0.00 C ATOM 487 C GLN A 38 -8.344 -6.117 -4.408 1.00 0.00 C ATOM 488 O GLN A 38 -7.192 -6.252 -3.993 1.00 0.00 O ATOM 489 CB GLN A 38 -10.179 -7.757 -3.941 1.00 0.00 C ATOM 490 CG GLN A 38 -10.972 -8.481 -2.841 1.00 0.00 C ATOM 491 CD GLN A 38 -11.750 -9.666 -3.416 1.00 0.00 C ATOM 492 OE1 GLN A 38 -12.822 -9.527 -3.990 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.238 -10.877 -3.315 1.00 0.00 N ATOM 0 H GLN A 38 -11.451 -5.619 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.151 -6.553 -2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.847 -7.548 -4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.402 -8.425 -4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.290 -8.831 -2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.663 -7.784 -2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.346 -11.016 -2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.734 -11.675 -3.711 1.00 0.00 H new ATOM 502 N GLN A 39 -8.607 -5.658 -5.639 1.00 0.00 N ATOM 503 CA GLN A 39 -7.551 -5.309 -6.603 1.00 0.00 C ATOM 504 C GLN A 39 -6.684 -4.139 -6.117 1.00 0.00 C ATOM 505 O GLN A 39 -5.457 -4.271 -6.083 1.00 0.00 O ATOM 506 CB GLN A 39 -8.171 -5.010 -7.977 1.00 0.00 C ATOM 507 CG GLN A 39 -8.619 -6.300 -8.692 1.00 0.00 C ATOM 508 CD GLN A 39 -9.449 -5.992 -9.943 1.00 0.00 C ATOM 509 OE1 GLN A 39 -8.986 -6.067 -11.075 1.00 0.00 O ATOM 510 NE2 GLN A 39 -10.701 -5.615 -9.780 1.00 0.00 N ATOM 0 H GLN A 39 -9.553 -5.518 -5.995 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.887 -6.168 -6.696 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.027 -4.346 -7.854 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.446 -4.483 -8.597 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.743 -6.885 -8.971 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.206 -6.912 -8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.096 -5.549 -8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.275 -5.389 -10.592 1.00 0.00 H new ATOM 519 N LEU A 40 -7.287 -3.024 -5.696 1.00 0.00 N ATOM 520 CA LEU A 40 -6.549 -1.841 -5.217 1.00 0.00 C ATOM 521 C LEU A 40 -5.684 -2.149 -3.983 1.00 0.00 C ATOM 522 O LEU A 40 -4.510 -1.772 -3.932 1.00 0.00 O ATOM 523 CB LEU A 40 -7.543 -0.710 -4.890 1.00 0.00 C ATOM 524 CG LEU A 40 -8.198 -0.054 -6.117 1.00 0.00 C ATOM 525 CD1 LEU A 40 -9.355 0.841 -5.679 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.205 0.810 -6.901 1.00 0.00 C ATOM 0 H LEU A 40 -8.301 -2.911 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.874 -1.530 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.327 -1.109 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.022 0.059 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.551 -0.862 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.812 1.300 -6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.099 0.242 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.981 1.620 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.708 1.255 -7.759 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.822 1.600 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.377 0.190 -7.247 1.00 0.00 H new ATOM 538 N LEU A 41 -6.246 -2.842 -2.990 1.00 0.00 N ATOM 539 CA LEU A 41 -5.576 -3.082 -1.715 1.00 0.00 C ATOM 540 C LEU A 41 -4.469 -4.148 -1.829 1.00 0.00 C ATOM 541 O LEU A 41 -3.404 -3.994 -1.231 1.00 0.00 O ATOM 542 CB LEU A 41 -6.657 -3.384 -0.660 1.00 0.00 C ATOM 543 CG LEU A 41 -6.188 -3.328 0.806 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.582 -1.968 1.168 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.387 -3.551 1.731 1.00 0.00 C ATOM 0 H LEU A 41 -7.178 -3.251 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.033 -2.194 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.474 -2.674 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.063 -4.376 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.429 -4.101 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.266 -1.977 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.721 -1.772 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.328 -1.187 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.058 -3.512 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.131 -2.773 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.828 -4.527 1.527 1.00 0.00 H new ATOM 557 N ALA A 42 -4.657 -5.175 -2.671 1.00 0.00 N ATOM 558 CA ALA A 42 -3.606 -6.142 -3.016 1.00 0.00 C ATOM 559 C ALA A 42 -2.459 -5.511 -3.836 1.00 0.00 C ATOM 560 O ALA A 42 -1.286 -5.823 -3.599 1.00 0.00 O ATOM 561 CB ALA A 42 -4.224 -7.319 -3.778 1.00 0.00 C ATOM 0 H ALA A 42 -5.547 -5.358 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.164 -6.493 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.444 -8.036 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.973 -7.805 -3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.695 -6.954 -4.691 1.00 0.00 H new ATOM 567 N LYS A 43 -2.768 -4.600 -4.766 1.00 0.00 N ATOM 568 CA LYS A 43 -1.795 -3.847 -5.566 1.00 0.00 C ATOM 569 C LYS A 43 -0.906 -2.961 -4.687 1.00 0.00 C ATOM 570 O LYS A 43 0.319 -2.989 -4.820 1.00 0.00 O ATOM 571 CB LYS A 43 -2.586 -3.069 -6.630 1.00 0.00 C ATOM 572 CG LYS A 43 -1.689 -2.224 -7.528 1.00 0.00 C ATOM 573 CD LYS A 43 -2.514 -1.492 -8.594 1.00 0.00 C ATOM 574 CE LYS A 43 -1.619 -0.562 -9.413 1.00 0.00 C ATOM 575 NZ LYS A 43 -2.375 0.104 -10.499 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.733 -4.359 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.095 -4.516 -6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.150 -3.772 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.312 -2.423 -6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.143 -1.499 -6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.947 -2.861 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.995 -2.216 -9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.308 -0.917 -8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.181 0.192 -8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.794 -1.132 -9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.737 0.727 -11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.772 -0.615 -11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.147 0.668 -10.089 1.00 0.00 H new ATOM 589 N SER A 44 -1.503 -2.239 -3.735 1.00 0.00 N ATOM 590 CA SER A 44 -0.770 -1.461 -2.726 1.00 0.00 C ATOM 591 C SER A 44 0.148 -2.341 -1.854 1.00 0.00 C ATOM 592 O SER A 44 1.332 -2.038 -1.688 1.00 0.00 O ATOM 593 CB SER A 44 -1.771 -0.681 -1.863 1.00 0.00 C ATOM 594 OG SER A 44 -1.086 0.230 -1.030 1.00 0.00 O ATOM 0 H SER A 44 -2.517 -2.176 -3.640 1.00 0.00 H new ATOM 0 HA SER A 44 -0.115 -0.763 -3.247 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.473 -0.145 -2.501 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.356 -1.372 -1.256 1.00 0.00 H new ATOM 0 HG SER A 44 -1.548 0.297 -0.169 1.00 0.00 H new ATOM 600 N LEU A 45 -0.356 -3.485 -1.376 1.00 0.00 N ATOM 601 CA LEU A 45 0.414 -4.458 -0.586 1.00 0.00 C ATOM 602 C LEU A 45 1.602 -5.052 -1.368 1.00 0.00 C ATOM 603 O LEU A 45 2.716 -5.124 -0.853 1.00 0.00 O ATOM 604 CB LEU A 45 -0.577 -5.520 -0.065 1.00 0.00 C ATOM 605 CG LEU A 45 -0.036 -6.713 0.756 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.494 -7.853 -0.113 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.032 -6.324 1.780 1.00 0.00 C ATOM 0 H LEU A 45 -1.324 -3.767 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 45 0.888 -3.964 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.316 -5.006 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.106 -5.927 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.913 -7.066 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.858 -8.658 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.308 -8.229 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.310 -7.487 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.363 -7.213 2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.881 -5.873 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.614 -5.608 2.487 1.00 0.00 H new ATOM 619 N THR A 46 1.402 -5.432 -2.631 1.00 0.00 N ATOM 620 CA THR A 46 2.441 -6.059 -3.468 1.00 0.00 C ATOM 621 C THR A 46 3.665 -5.153 -3.655 1.00 0.00 C ATOM 622 O THR A 46 4.800 -5.629 -3.625 1.00 0.00 O ATOM 623 CB THR A 46 1.860 -6.462 -4.836 1.00 0.00 C ATOM 624 OG1 THR A 46 0.846 -7.433 -4.665 1.00 0.00 O ATOM 625 CG2 THR A 46 2.887 -7.081 -5.791 1.00 0.00 C ATOM 0 H THR A 46 0.510 -5.315 -3.111 1.00 0.00 H new ATOM 0 HA THR A 46 2.778 -6.953 -2.943 1.00 0.00 H new ATOM 0 HB THR A 46 1.490 -5.533 -5.269 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.044 -7.007 -4.297 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.400 -7.338 -6.732 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.687 -6.365 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.305 -7.982 -5.341 1.00 0.00 H new ATOM 633 N GLU A 47 3.468 -3.837 -3.775 1.00 0.00 N ATOM 634 CA GLU A 47 4.560 -2.860 -3.926 1.00 0.00 C ATOM 635 C GLU A 47 5.435 -2.744 -2.664 1.00 0.00 C ATOM 636 O GLU A 47 6.649 -2.570 -2.783 1.00 0.00 O ATOM 637 CB GLU A 47 3.958 -1.507 -4.348 1.00 0.00 C ATOM 638 CG GLU A 47 4.969 -0.384 -4.632 1.00 0.00 C ATOM 639 CD GLU A 47 5.886 -0.619 -5.847 1.00 0.00 C ATOM 640 OE1 GLU A 47 5.798 -1.663 -6.536 1.00 0.00 O ATOM 641 OE2 GLU A 47 6.729 0.259 -6.141 1.00 0.00 O1- ATOM 0 H GLU A 47 2.541 -3.412 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 47 5.238 -3.209 -4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.355 -1.662 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.281 -1.171 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.421 0.546 -4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.592 -0.246 -3.748 1.00 0.00 H new ATOM 648 N ILE A 48 4.868 -2.912 -1.458 1.00 0.00 N ATOM 649 CA ILE A 48 5.631 -2.987 -0.194 1.00 0.00 C ATOM 650 C ILE A 48 6.620 -4.162 -0.244 1.00 0.00 C ATOM 651 O ILE A 48 7.820 -3.995 0.000 1.00 0.00 O ATOM 652 CB ILE A 48 4.698 -3.145 1.036 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.686 -1.985 1.177 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.520 -3.300 2.331 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.550 -2.295 2.165 1.00 0.00 C ATOM 0 H ILE A 48 3.860 -3.001 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 48 6.176 -2.049 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 48 4.119 -4.053 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.212 -1.089 1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.259 -1.762 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.845 -3.409 3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.154 -4.183 2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.143 -2.417 2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.873 -1.443 2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.001 -3.173 1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.969 -2.490 3.152 1.00 0.00 H new ATOM 667 N LYS A 49 6.121 -5.350 -0.606 1.00 0.00 N ATOM 668 CA LYS A 49 6.907 -6.589 -0.690 1.00 0.00 C ATOM 669 C LYS A 49 7.992 -6.513 -1.763 1.00 0.00 C ATOM 670 O LYS A 49 9.112 -6.956 -1.512 1.00 0.00 O ATOM 671 CB LYS A 49 5.967 -7.781 -0.930 1.00 0.00 C ATOM 672 CG LYS A 49 5.105 -8.054 0.310 1.00 0.00 C ATOM 673 CD LYS A 49 4.192 -9.271 0.101 1.00 0.00 C ATOM 674 CE LYS A 49 3.353 -9.580 1.350 1.00 0.00 C ATOM 675 NZ LYS A 49 4.177 -10.123 2.461 1.00 0.00 N1+ ATOM 0 H LYS A 49 5.140 -5.481 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 49 7.424 -6.728 0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.325 -7.577 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.552 -8.668 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.749 -8.225 1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.498 -7.176 0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.529 -9.087 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.799 -10.140 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.852 -8.671 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.574 -10.298 1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.562 -10.609 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.872 -10.797 2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.675 -9.344 2.937 1.00 0.00 H new ATOM 689 N ARG A 50 7.709 -5.885 -2.917 1.00 0.00 N ATOM 690 CA ARG A 50 8.695 -5.632 -3.991 1.00 0.00 C ATOM 691 C ARG A 50 9.873 -4.778 -3.499 1.00 0.00 C ATOM 692 O ARG A 50 11.029 -5.147 -3.723 1.00 0.00 O ATOM 693 CB ARG A 50 7.987 -4.975 -5.190 1.00 0.00 C ATOM 694 CG ARG A 50 8.878 -4.981 -6.447 1.00 0.00 C ATOM 695 CD ARG A 50 8.225 -4.255 -7.632 1.00 0.00 C ATOM 696 NE ARG A 50 8.202 -2.791 -7.439 1.00 0.00 N ATOM 697 CZ ARG A 50 9.168 -1.928 -7.693 1.00 0.00 C ATOM 698 NH1 ARG A 50 10.326 -2.292 -8.177 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 8.990 -0.661 -7.470 1.00 0.00 N ATOM 0 H ARG A 50 6.777 -5.533 -3.137 1.00 0.00 H new ATOM 0 HA ARG A 50 9.117 -6.586 -4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.058 -5.505 -5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.719 -3.949 -4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.832 -4.507 -6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.095 -6.011 -6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.769 -4.492 -8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.206 -4.619 -7.764 1.00 0.00 H new ATOM 0 HE ARG A 50 7.337 -2.400 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.510 -3.276 -8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.045 -1.592 -8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.101 -0.329 -7.097 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.740 0.002 -7.668 1.00 0.00 H new ATOM 713 N LEU A 51 9.591 -3.680 -2.788 1.00 0.00 N ATOM 714 CA LEU A 51 10.619 -2.805 -2.212 1.00 0.00 C ATOM 715 C LEU A 51 11.440 -3.515 -1.120 1.00 0.00 C ATOM 716 O LEU A 51 12.668 -3.419 -1.134 1.00 0.00 O ATOM 717 CB LEU A 51 9.962 -1.529 -1.633 1.00 0.00 C ATOM 718 CG LEU A 51 10.027 -0.280 -2.529 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.469 0.209 -2.716 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.385 -0.508 -3.899 1.00 0.00 C ATOM 0 H LEU A 51 8.638 -3.372 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 51 11.306 -2.535 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.915 -1.746 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.440 -1.296 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 51 9.455 0.488 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.474 1.092 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.897 0.460 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.063 -0.578 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.458 0.404 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.903 -1.317 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.336 -0.774 -3.769 1.00 0.00 H new ATOM 732 N LYS A 52 10.798 -4.239 -0.196 1.00 0.00 N ATOM 733 CA LYS A 52 11.492 -4.966 0.885 1.00 0.00 C ATOM 734 C LYS A 52 12.384 -6.101 0.364 1.00 0.00 C ATOM 735 O LYS A 52 13.512 -6.246 0.835 1.00 0.00 O ATOM 736 CB LYS A 52 10.471 -5.481 1.918 1.00 0.00 C ATOM 737 CG LYS A 52 9.909 -4.321 2.753 1.00 0.00 C ATOM 738 CD LYS A 52 8.939 -4.806 3.829 1.00 0.00 C ATOM 739 CE LYS A 52 8.381 -3.601 4.594 1.00 0.00 C ATOM 740 NZ LYS A 52 7.478 -4.010 5.690 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.783 -4.340 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 52 12.163 -4.259 1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.657 -5.995 1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.946 -6.210 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.731 -3.781 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.399 -3.616 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.125 -5.369 3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.449 -5.482 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.206 -3.018 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.842 -2.951 3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.955 -3.181 6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.805 -4.721 5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.037 -4.417 6.467 1.00 0.00 H new ATOM 754 N ALA A 53 11.927 -6.851 -0.645 1.00 0.00 N ATOM 755 CA ALA A 53 12.734 -7.871 -1.319 1.00 0.00 C ATOM 756 C ALA A 53 13.980 -7.262 -1.994 1.00 0.00 C ATOM 757 O ALA A 53 15.089 -7.771 -1.812 1.00 0.00 O ATOM 758 CB ALA A 53 11.846 -8.619 -2.319 1.00 0.00 C ATOM 0 H ALA A 53 10.981 -6.766 -1.018 1.00 0.00 H new ATOM 0 HA ALA A 53 13.112 -8.578 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.435 -9.382 -2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.020 -9.092 -1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.451 -7.916 -3.052 1.00 0.00 H new ATOM 764 N ALA A 54 13.819 -6.147 -2.720 1.00 0.00 N ATOM 765 CA ALA A 54 14.928 -5.436 -3.360 1.00 0.00 C ATOM 766 C ALA A 54 15.937 -4.874 -2.337 1.00 0.00 C ATOM 767 O ALA A 54 17.144 -5.096 -2.478 1.00 0.00 O ATOM 768 CB ALA A 54 14.353 -4.338 -4.256 1.00 0.00 C ATOM 0 H ALA A 54 12.910 -5.713 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 54 15.495 -6.141 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.168 -3.799 -4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.713 -4.786 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.768 -3.645 -3.652 1.00 0.00 H new ATOM 774 N ASN A 55 15.455 -4.201 -1.285 1.00 0.00 N ATOM 775 CA ASN A 55 16.275 -3.618 -0.213 1.00 0.00 C ATOM 776 C ASN A 55 17.077 -4.692 0.545 1.00 0.00 C ATOM 777 O ASN A 55 18.282 -4.539 0.743 1.00 0.00 O ATOM 778 CB ASN A 55 15.337 -2.808 0.706 1.00 0.00 C ATOM 779 CG ASN A 55 16.073 -1.954 1.728 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.821 -2.434 2.569 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.872 -0.655 1.704 1.00 0.00 N ATOM 0 H ASN A 55 14.456 -4.042 -1.151 1.00 0.00 H new ATOM 0 HA ASN A 55 17.029 -2.952 -0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.708 -2.163 0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.673 -3.495 1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 55 16.338 -0.054 2.384 1.00 0.00 H new ATOM 0 HD22 ASN A 55 15.250 -0.248 1.006 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.755 -13.874 -0.711 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.708 -13.061 0.049 1.00 0.00 C ATOM 1056 C PRO B 110 -10.024 -11.913 0.808 1.00 0.00 C ATOM 1057 O PRO B 110 -8.857 -12.008 1.205 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.439 -14.034 0.983 1.00 0.00 C ATOM 1059 CG PRO B 110 -10.454 -15.186 1.145 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.774 -15.240 -0.220 1.00 0.00 C ATOM 0 HA PRO B 110 -11.412 -12.558 -0.615 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.674 -13.570 1.941 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -12.382 -14.371 0.552 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.739 -14.998 1.946 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.960 -16.122 1.382 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.763 -15.639 -0.137 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -10.319 -15.892 -0.902 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.764 -10.826 1.033 1.00 0.00 N ATOM 1069 CA ILE B 111 -10.206 -9.549 1.510 1.00 0.00 C ATOM 1070 C ILE B 111 -9.545 -9.616 2.895 1.00 0.00 C ATOM 1071 O ILE B 111 -8.590 -8.885 3.166 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.261 -8.425 1.418 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.592 -7.061 1.672 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.449 -8.629 2.379 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -11.331 -5.904 1.004 1.00 0.00 C ATOM 0 H ILE B 111 -11.774 -10.802 0.890 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.384 -9.311 0.835 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.674 -8.455 0.410 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.541 -6.881 2.746 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -9.566 -7.091 1.305 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.154 -7.806 2.266 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.948 -9.569 2.146 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -12.085 -8.656 3.406 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -10.813 -4.969 1.218 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -11.359 -6.064 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.349 -5.851 1.390 1.00 0.00 H new ATOM 1087 N ASP B 112 -9.980 -10.535 3.758 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.339 -10.764 5.060 1.00 0.00 C ATOM 1089 C ASP B 112 -7.898 -11.289 4.947 1.00 0.00 C ATOM 1090 O ASP B 112 -7.084 -11.005 5.822 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.196 -11.711 5.912 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.555 -11.123 6.332 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -12.460 -11.911 6.699 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -11.726 -9.882 6.343 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.781 -11.140 3.579 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.269 -9.793 5.550 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -10.368 -12.631 5.353 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -9.637 -11.982 6.808 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.543 -12.003 3.874 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.181 -12.503 3.643 1.00 0.00 C ATOM 1101 C GLU B 113 -5.233 -11.391 3.173 1.00 0.00 C ATOM 1102 O GLU B 113 -4.180 -11.184 3.782 1.00 0.00 O ATOM 1103 CB GLU B 113 -6.189 -13.668 2.640 1.00 0.00 C ATOM 1104 CG GLU B 113 -6.949 -14.911 3.129 1.00 0.00 C ATOM 1105 CD GLU B 113 -6.357 -15.554 4.403 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -7.135 -16.116 5.214 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -5.120 -15.540 4.604 1.00 0.00 O1- ATOM 0 H GLU B 113 -8.198 -12.253 3.133 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.806 -12.869 4.599 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.635 -13.326 1.706 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -5.160 -13.949 2.417 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -7.986 -14.636 3.322 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -6.959 -15.654 2.332 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.598 -10.620 2.137 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.770 -9.495 1.673 1.00 0.00 C ATOM 1116 C LEU B 114 -4.650 -8.382 2.736 1.00 0.00 C ATOM 1117 O LEU B 114 -3.590 -7.760 2.864 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.256 -8.994 0.299 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.670 -8.393 0.260 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.659 -6.878 0.453 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.353 -8.655 -1.075 1.00 0.00 C ATOM 0 H LEU B 114 -6.458 -10.754 1.606 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.751 -9.854 1.530 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.554 -8.242 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -5.218 -9.827 -0.403 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.208 -8.875 1.076 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.680 -6.499 0.418 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -6.216 -6.638 1.419 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -6.073 -6.414 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.350 -8.216 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.767 -8.208 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.431 -9.730 -1.239 1.00 0.00 H new ATOM 1133 N SER B 115 -5.682 -8.190 3.568 1.00 0.00 N ATOM 1134 CA SER B 115 -5.625 -7.298 4.735 1.00 0.00 C ATOM 1135 C SER B 115 -4.732 -7.854 5.850 1.00 0.00 C ATOM 1136 O SER B 115 -3.925 -7.111 6.403 1.00 0.00 O ATOM 1137 CB SER B 115 -7.026 -7.009 5.271 1.00 0.00 C ATOM 1138 OG SER B 115 -7.820 -6.394 4.269 1.00 0.00 O ATOM 0 H SER B 115 -6.584 -8.651 3.451 1.00 0.00 H new ATOM 0 HA SER B 115 -5.178 -6.364 4.395 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.496 -7.936 5.598 1.00 0.00 H new ATOM 0 HB3 SER B 115 -6.962 -6.359 6.144 1.00 0.00 H new ATOM 0 HG SER B 115 -8.229 -7.084 3.707 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.783 -9.156 6.146 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.862 -9.761 7.116 1.00 0.00 C ATOM 1146 C ALA B 116 -2.389 -9.638 6.680 1.00 0.00 C ATOM 1147 O ALA B 116 -1.515 -9.445 7.529 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.258 -11.223 7.346 1.00 0.00 C ATOM 0 H ALA B 116 -5.448 -9.809 5.731 1.00 0.00 H new ATOM 0 HA ALA B 116 -3.945 -9.214 8.055 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.576 -11.676 8.066 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.276 -11.268 7.733 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.204 -11.767 6.403 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.113 -9.697 5.368 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.787 -9.470 4.792 1.00 0.00 C ATOM 1156 C LEU B 117 -0.316 -8.017 4.986 1.00 0.00 C ATOM 1157 O LEU B 117 0.788 -7.815 5.492 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.783 -9.896 3.304 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.250 -11.328 3.066 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -0.964 -12.434 3.848 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.360 -11.657 1.581 1.00 0.00 C ATOM 0 H LEU B 117 -2.823 -9.909 4.667 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.066 -10.089 5.325 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.798 -9.827 2.913 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.174 -9.193 2.736 1.00 0.00 H new ATOM 0 HG LEU B 117 0.779 -11.314 3.426 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.514 -13.397 3.609 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.868 -12.244 4.917 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.019 -12.449 3.575 1.00 0.00 H new ATOM 0 HD21 LEU B 117 0.014 -12.665 1.403 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.403 -11.597 1.271 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.231 -10.944 1.006 1.00 0.00 H new ATOM 1173 N LEU B 118 -1.120 -7.000 4.652 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.692 -5.603 4.845 1.00 0.00 C ATOM 1175 C LEU B 118 -0.563 -5.220 6.328 1.00 0.00 C ATOM 1176 O LEU B 118 0.355 -4.488 6.693 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.554 -4.638 4.014 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.951 -4.289 4.571 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.961 -3.062 5.494 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.890 -3.971 3.415 1.00 0.00 C ATOM 0 H LEU B 118 -2.053 -7.110 4.254 1.00 0.00 H new ATOM 0 HA LEU B 118 0.322 -5.509 4.457 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.998 -3.709 3.889 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.683 -5.069 3.021 1.00 0.00 H new ATOM 0 HG LEU B 118 -3.264 -5.159 5.148 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.976 -2.879 5.846 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -2.309 -3.244 6.348 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.605 -2.190 4.945 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.877 -3.724 3.806 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.500 -3.123 2.852 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.966 -4.838 2.759 1.00 0.00 H new ATOM 1192 N ARG B 119 -1.425 -5.758 7.206 1.00 0.00 N ATOM 1193 CA ARG B 119 -1.332 -5.549 8.660 1.00 0.00 C ATOM 1194 C ARG B 119 -0.049 -6.136 9.255 1.00 0.00 C ATOM 1195 O ARG B 119 0.640 -5.424 9.988 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.568 -6.124 9.366 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.844 -5.301 9.137 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.976 -5.932 9.955 1.00 0.00 C ATOM 1199 NE ARG B 119 -6.307 -5.404 9.611 1.00 0.00 N ATOM 1200 CZ ARG B 119 -6.873 -4.299 10.063 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -6.260 -3.423 10.814 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -8.114 -4.061 9.763 1.00 0.00 N ATOM 0 H ARG B 119 -2.207 -6.351 6.927 1.00 0.00 H new ATOM 0 HA ARG B 119 -1.296 -4.472 8.827 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.735 -7.143 9.016 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -2.370 -6.183 10.436 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -3.688 -4.266 9.440 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -4.102 -5.288 8.078 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -4.969 -7.011 9.800 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.788 -5.761 11.015 1.00 0.00 H new ATOM 0 HE ARG B 119 -6.854 -5.954 8.949 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -5.288 -3.574 11.083 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -6.754 -2.589 11.131 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -8.635 -4.722 9.187 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -8.567 -3.213 10.103 1.00 0.00 H new ATOM 1216 N GLN B 120 0.320 -7.375 8.908 1.00 0.00 N ATOM 1217 CA GLN B 120 1.550 -7.997 9.433 1.00 0.00 C ATOM 1218 C GLN B 120 2.835 -7.408 8.819 1.00 0.00 C ATOM 1219 O GLN B 120 3.860 -7.355 9.497 1.00 0.00 O ATOM 1220 CB GLN B 120 1.484 -9.528 9.333 1.00 0.00 C ATOM 1221 CG GLN B 120 1.792 -10.104 7.942 1.00 0.00 C ATOM 1222 CD GLN B 120 1.404 -11.578 7.834 1.00 0.00 C ATOM 1223 OE1 GLN B 120 2.242 -12.466 7.775 1.00 0.00 O ATOM 1224 NE2 GLN B 120 0.123 -11.884 7.819 1.00 0.00 N ATOM 0 H GLN B 120 -0.210 -7.967 8.269 1.00 0.00 H new ATOM 0 HA GLN B 120 1.606 -7.747 10.493 1.00 0.00 H new ATOM 0 HB2 GLN B 120 2.186 -9.954 10.049 1.00 0.00 H new ATOM 0 HB3 GLN B 120 0.488 -9.854 9.632 1.00 0.00 H new ATOM 0 HG2 GLN B 120 1.255 -9.531 7.186 1.00 0.00 H new ATOM 0 HG3 GLN B 120 2.856 -9.993 7.731 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -0.578 -11.145 7.868 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -0.168 -12.860 7.758 1.00 0.00 H new ATOM 1233 N GLU B 121 2.779 -6.858 7.597 1.00 0.00 N ATOM 1234 CA GLU B 121 3.875 -6.060 7.011 1.00 0.00 C ATOM 1235 C GLU B 121 4.185 -4.780 7.804 1.00 0.00 C ATOM 1236 O GLU B 121 5.329 -4.320 7.801 1.00 0.00 O ATOM 1237 CB GLU B 121 3.543 -5.680 5.553 1.00 0.00 C ATOM 1238 CG GLU B 121 3.839 -6.804 4.542 1.00 0.00 C ATOM 1239 CD GLU B 121 5.337 -7.141 4.415 1.00 0.00 C ATOM 1240 OE1 GLU B 121 6.193 -6.328 4.836 1.00 0.00 O ATOM 1241 OE2 GLU B 121 5.646 -8.233 3.878 1.00 0.00 O1- ATOM 0 H GLU B 121 1.971 -6.952 6.982 1.00 0.00 H new ATOM 0 HA GLU B 121 4.762 -6.692 7.049 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.489 -5.411 5.487 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.115 -4.794 5.277 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.297 -7.702 4.840 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.457 -6.511 3.564 1.00 0.00 H new ATOM 1248 N MET B 122 3.197 -4.210 8.497 1.00 0.00 N ATOM 1249 CA MET B 122 3.320 -2.997 9.325 1.00 0.00 C ATOM 1250 C MET B 122 3.328 -3.265 10.845 1.00 0.00 C ATOM 1251 O MET B 122 3.401 -2.321 11.638 1.00 0.00 O ATOM 1252 CB MET B 122 2.213 -2.011 8.918 1.00 0.00 C ATOM 1253 CG MET B 122 2.460 -1.489 7.498 1.00 0.00 C ATOM 1254 SD MET B 122 1.239 -0.277 6.938 1.00 0.00 S ATOM 1255 CE MET B 122 -0.097 -1.380 6.427 1.00 0.00 C ATOM 0 H MET B 122 2.251 -4.591 8.500 1.00 0.00 H new ATOM 0 HA MET B 122 4.300 -2.561 9.131 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.242 -2.503 8.968 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.184 -1.177 9.619 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.451 -1.038 7.455 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.463 -2.332 6.807 1.00 0.00 H new ATOM 0 HE1 MET B 122 -0.934 -0.789 6.053 1.00 0.00 H new ATOM 0 HE2 MET B 122 0.260 -2.043 5.639 1.00 0.00 H new ATOM 0 HE3 MET B 122 -0.425 -1.974 7.280 1.00 0.00 H new ATOM 1349 N SER B 133 -17.075 -0.609 4.229 1.00 0.00 N ATOM 1350 CA SER B 133 -17.512 0.799 4.253 1.00 0.00 C ATOM 1351 C SER B 133 -16.436 1.729 3.673 1.00 0.00 C ATOM 1352 O SER B 133 -15.250 1.386 3.669 1.00 0.00 O ATOM 1353 CB SER B 133 -17.875 1.230 5.679 1.00 0.00 C ATOM 1354 OG SER B 133 -18.400 2.550 5.701 1.00 0.00 O ATOM 0 HA SER B 133 -18.400 0.879 3.626 1.00 0.00 H new ATOM 0 HB2 SER B 133 -18.607 0.538 6.095 1.00 0.00 H new ATOM 0 HB3 SER B 133 -16.990 1.177 6.314 1.00 0.00 H new ATOM 0 HG SER B 133 -18.624 2.798 6.622 1.00 0.00 H new ATOM 1360 N MET B 134 -16.825 2.930 3.239 1.00 0.00 N ATOM 1361 CA MET B 134 -15.915 3.952 2.700 1.00 0.00 C ATOM 1362 C MET B 134 -14.807 4.349 3.691 1.00 0.00 C ATOM 1363 O MET B 134 -13.655 4.537 3.297 1.00 0.00 O ATOM 1364 CB MET B 134 -16.752 5.178 2.303 1.00 0.00 C ATOM 1365 CG MET B 134 -16.006 6.138 1.366 1.00 0.00 C ATOM 1366 SD MET B 134 -16.425 6.016 -0.399 1.00 0.00 S ATOM 1367 CE MET B 134 -15.797 4.367 -0.797 1.00 0.00 C ATOM 0 H MET B 134 -17.800 3.229 3.251 1.00 0.00 H new ATOM 0 HA MET B 134 -15.404 3.536 1.832 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.668 4.843 1.816 1.00 0.00 H new ATOM 0 HB3 MET B 134 -17.048 5.716 3.204 1.00 0.00 H new ATOM 0 HG2 MET B 134 -16.200 7.159 1.695 1.00 0.00 H new ATOM 0 HG3 MET B 134 -14.936 5.965 1.478 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.853 4.206 -1.874 1.00 0.00 H new ATOM 0 HE2 MET B 134 -14.760 4.284 -0.471 1.00 0.00 H new ATOM 0 HE3 MET B 134 -16.399 3.615 -0.286 1.00 0.00 H new ATOM 1377 N GLN B 135 -15.123 4.405 4.992 1.00 0.00 N ATOM 1378 CA GLN B 135 -14.136 4.684 6.033 1.00 0.00 C ATOM 1379 C GLN B 135 -13.135 3.533 6.241 1.00 0.00 C ATOM 1380 O GLN B 135 -12.028 3.773 6.720 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.851 5.058 7.349 1.00 0.00 C ATOM 1382 CG GLN B 135 -15.678 3.920 7.987 1.00 0.00 C ATOM 1383 CD GLN B 135 -15.276 3.644 9.438 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -15.323 4.508 10.309 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -14.873 2.438 9.764 1.00 0.00 N ATOM 0 H GLN B 135 -16.068 4.258 5.347 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.541 5.533 5.697 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -14.104 5.392 8.069 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -15.511 5.904 7.159 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -16.736 4.180 7.950 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -15.552 3.011 7.399 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -14.827 1.706 9.055 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -14.606 2.232 10.727 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.474 2.293 5.868 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.567 1.139 5.983 1.00 0.00 C ATOM 1396 C ASP B 136 -11.505 1.182 4.877 1.00 0.00 C ATOM 1397 O ASP B 136 -10.308 1.098 5.147 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.330 -0.197 5.907 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.547 -0.335 6.838 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -15.410 -1.192 6.532 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -14.647 0.379 7.862 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.386 2.059 5.477 1.00 0.00 H new ATOM 0 HA ASP B 136 -12.085 1.203 6.959 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -13.665 -0.343 4.880 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -12.633 -1.004 6.132 1.00 0.00 H new ATOM 1406 N ILE B 137 -11.942 1.378 3.628 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.077 1.471 2.447 1.00 0.00 C ATOM 1408 C ILE B 137 -10.198 2.731 2.475 1.00 0.00 C ATOM 1409 O ILE B 137 -9.004 2.633 2.195 1.00 0.00 O ATOM 1410 CB ILE B 137 -11.904 1.334 1.150 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.002 1.371 -0.104 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.045 2.362 1.050 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -11.754 1.030 -1.398 1.00 0.00 C ATOM 0 H ILE B 137 -12.932 1.479 3.405 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.382 0.632 2.468 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.379 0.354 1.196 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.561 2.364 -0.198 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.179 0.668 0.027 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.588 2.213 0.117 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.726 2.232 1.891 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.630 3.370 1.072 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.065 1.073 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.172 0.026 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.560 1.748 -1.550 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.727 3.889 2.894 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.924 5.111 3.044 1.00 0.00 C ATOM 1427 C GLN B 138 -8.788 4.932 4.066 1.00 0.00 C ATOM 1428 O GLN B 138 -7.692 5.448 3.847 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.799 6.311 3.448 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.567 6.944 2.275 1.00 0.00 C ATOM 1431 CD GLN B 138 -12.289 8.222 2.701 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -13.497 8.247 2.886 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.589 9.325 2.885 1.00 0.00 N ATOM 0 H GLN B 138 -11.711 4.005 3.136 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.479 5.310 2.069 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.513 5.989 4.206 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -10.167 7.071 3.908 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.874 7.170 1.465 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -12.291 6.229 1.885 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.580 9.320 2.735 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -12.057 10.183 3.178 1.00 0.00 H new ATOM 1442 N GLN B 139 -9.006 4.183 5.155 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.951 3.846 6.112 1.00 0.00 C ATOM 1444 C GLN B 139 -6.967 2.804 5.555 1.00 0.00 C ATOM 1445 O GLN B 139 -5.772 3.090 5.452 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.557 3.389 7.447 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.130 4.579 8.235 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.834 4.122 9.508 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -9.306 4.180 10.612 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -11.048 3.623 9.406 1.00 0.00 N ATOM 0 H GLN B 139 -9.919 3.795 5.395 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.373 4.752 6.291 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.345 2.660 7.261 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.794 2.888 8.043 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -8.325 5.268 8.491 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.832 5.128 7.607 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -11.502 3.568 8.494 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -11.535 3.292 10.239 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.438 1.615 5.161 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.578 0.490 4.750 1.00 0.00 C ATOM 1461 C LEU B 140 -5.702 0.814 3.523 1.00 0.00 C ATOM 1462 O LEU B 140 -4.504 0.508 3.515 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.459 -0.744 4.461 1.00 0.00 C ATOM 1464 CG LEU B 140 -8.126 -1.378 5.697 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -9.226 -2.354 5.270 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -7.110 -2.146 6.548 1.00 0.00 C ATOM 0 H LEU B 140 -8.434 1.401 5.117 1.00 0.00 H new ATOM 0 HA LEU B 140 -5.893 0.287 5.573 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.238 -0.457 3.755 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -6.847 -1.501 3.970 1.00 0.00 H new ATOM 0 HG LEU B 140 -8.549 -0.564 6.285 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -9.687 -2.793 6.155 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -9.982 -1.821 4.694 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -8.793 -3.144 4.657 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -7.613 -2.581 7.412 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -6.662 -2.941 5.951 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -6.330 -1.464 6.888 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.279 1.462 2.505 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.595 1.786 1.249 1.00 0.00 C ATOM 1480 C LEU B 141 -4.603 2.963 1.390 1.00 0.00 C ATOM 1481 O LEU B 141 -3.626 3.027 0.644 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.679 2.003 0.170 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.188 2.022 -1.286 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.558 0.688 -1.693 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.376 2.259 -2.221 1.00 0.00 C ATOM 0 H LEU B 141 -7.248 1.780 2.531 1.00 0.00 H new ATOM 0 HA LEU B 141 -4.955 0.958 0.946 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.426 1.215 0.270 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.183 2.948 0.375 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.444 2.815 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.224 0.744 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.705 0.477 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.295 -0.108 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -7.029 2.273 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -8.105 1.458 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.842 3.215 -1.982 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.788 3.847 2.382 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.799 4.860 2.772 1.00 0.00 C ATOM 1499 C ALA B 142 -2.689 4.308 3.688 1.00 0.00 C ATOM 1500 O ALA B 142 -1.520 4.683 3.548 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.526 6.019 3.459 1.00 0.00 C ATOM 0 H ALA B 142 -5.640 3.878 2.942 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.299 5.199 1.865 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.802 6.779 3.754 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.249 6.455 2.769 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.045 5.650 4.343 1.00 0.00 H new ATOM 1507 N LYS B 143 -3.028 3.388 4.608 1.00 0.00 N ATOM 1508 CA LYS B 143 -2.091 2.735 5.536 1.00 0.00 C ATOM 1509 C LYS B 143 -1.001 1.971 4.775 1.00 0.00 C ATOM 1510 O LYS B 143 0.186 2.219 4.977 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.892 1.820 6.480 1.00 0.00 C ATOM 1512 CG LYS B 143 -2.104 1.446 7.737 1.00 0.00 C ATOM 1513 CD LYS B 143 -2.795 0.311 8.512 1.00 0.00 C ATOM 1514 CE LYS B 143 -1.976 -0.149 9.725 1.00 0.00 C ATOM 1515 NZ LYS B 143 -1.981 0.863 10.814 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.990 3.070 4.729 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.574 3.487 6.132 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.816 2.321 6.769 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -3.175 0.912 5.948 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -1.096 1.138 7.459 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -2.004 2.320 8.380 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -3.777 0.647 8.846 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -2.958 -0.535 7.844 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -2.381 -1.089 10.101 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -0.949 -0.345 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -1.417 0.514 11.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -1.571 1.752 10.463 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -2.958 1.032 11.127 1.00 0.00 H new ATOM 1529 N SER B 144 -1.401 1.111 3.839 1.00 0.00 N ATOM 1530 CA SER B 144 -0.489 0.372 2.953 1.00 0.00 C ATOM 1531 C SER B 144 0.340 1.301 2.043 1.00 0.00 C ATOM 1532 O SER B 144 1.545 1.094 1.892 1.00 0.00 O ATOM 1533 CB SER B 144 -1.287 -0.660 2.138 1.00 0.00 C ATOM 1534 OG SER B 144 -2.363 -0.049 1.448 1.00 0.00 O ATOM 0 H SER B 144 -2.385 0.901 3.669 1.00 0.00 H new ATOM 0 HA SER B 144 0.236 -0.151 3.577 1.00 0.00 H new ATOM 0 HB2 SER B 144 -0.627 -1.152 1.424 1.00 0.00 H new ATOM 0 HB3 SER B 144 -1.671 -1.434 2.803 1.00 0.00 H new ATOM 0 HG SER B 144 -3.127 0.048 2.054 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.248 2.381 1.509 1.00 0.00 N ATOM 1541 CA LEU B 145 0.461 3.408 0.724 1.00 0.00 C ATOM 1542 C LEU B 145 1.561 4.118 1.544 1.00 0.00 C ATOM 1543 O LEU B 145 2.670 4.330 1.051 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.600 4.357 0.125 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.161 5.626 -0.629 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.199 6.786 0.307 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.977 5.397 -1.622 1.00 0.00 C ATOM 0 H LEU B 145 -1.245 2.571 1.611 1.00 0.00 H new ATOM 0 HA LEU B 145 1.014 2.950 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.211 3.769 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.249 4.673 0.941 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.046 5.903 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.500 7.651 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.668 7.046 0.914 1.00 0.00 H new ATOM 0 HD13 LEU B 145 1.021 6.487 0.957 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.228 6.338 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.852 5.019 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.665 4.670 -2.372 1.00 0.00 H new ATOM 1559 N THR B 146 1.308 4.414 2.822 1.00 0.00 N ATOM 1560 CA THR B 146 2.307 5.025 3.722 1.00 0.00 C ATOM 1561 C THR B 146 3.547 4.133 3.897 1.00 0.00 C ATOM 1562 O THR B 146 4.673 4.631 3.945 1.00 0.00 O ATOM 1563 CB THR B 146 1.670 5.352 5.086 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.605 6.271 4.911 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.638 6.004 6.073 1.00 0.00 C ATOM 0 H THR B 146 0.407 4.239 3.268 1.00 0.00 H new ATOM 0 HA THR B 146 2.643 5.953 3.259 1.00 0.00 H new ATOM 0 HB THR B 146 1.342 4.394 5.489 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.149 5.819 4.477 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.120 6.206 7.011 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.476 5.332 6.258 1.00 0.00 H new ATOM 0 HG23 THR B 146 3.009 6.940 5.655 1.00 0.00 H new ATOM 1573 N GLU B 147 3.379 2.807 3.924 1.00 0.00 N ATOM 1574 CA GLU B 147 4.492 1.854 4.003 1.00 0.00 C ATOM 1575 C GLU B 147 5.309 1.768 2.700 1.00 0.00 C ATOM 1576 O GLU B 147 6.530 1.614 2.769 1.00 0.00 O ATOM 1577 CB GLU B 147 3.946 0.486 4.450 1.00 0.00 C ATOM 1578 CG GLU B 147 4.990 -0.619 4.680 1.00 0.00 C ATOM 1579 CD GLU B 147 5.882 -0.434 5.915 1.00 0.00 C ATOM 1580 OE1 GLU B 147 5.902 0.652 6.537 1.00 0.00 O ATOM 1581 OE2 GLU B 147 6.604 -1.392 6.284 1.00 0.00 O1- ATOM 0 H GLU B 147 2.462 2.362 3.891 1.00 0.00 H new ATOM 0 HA GLU B 147 5.203 2.214 4.746 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.386 0.626 5.375 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.238 0.137 3.698 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.471 -1.573 4.767 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.628 -0.682 3.798 1.00 0.00 H new ATOM 1588 N ILE B 148 4.698 1.959 1.518 1.00 0.00 N ATOM 1589 CA ILE B 148 5.440 2.112 0.247 1.00 0.00 C ATOM 1590 C ILE B 148 6.389 3.312 0.351 1.00 0.00 C ATOM 1591 O ILE B 148 7.593 3.166 0.132 1.00 0.00 O ATOM 1592 CB ILE B 148 4.516 2.265 -0.990 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.570 1.058 -1.183 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.353 2.509 -2.268 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.460 1.321 -2.208 1.00 0.00 C ATOM 0 H ILE B 148 3.685 2.012 1.413 1.00 0.00 H new ATOM 0 HA ILE B 148 6.005 1.193 0.094 1.00 0.00 H new ATOM 0 HB ILE B 148 3.885 3.134 -0.805 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.153 0.194 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.118 0.801 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.687 2.614 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.939 3.420 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE B 148 6.023 1.665 -2.431 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.830 0.436 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.854 2.166 -1.880 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.905 1.549 -3.176 1.00 0.00 H new ATOM 1607 N LYS B 149 5.868 4.486 0.733 1.00 0.00 N ATOM 1608 CA LYS B 149 6.640 5.736 0.850 1.00 0.00 C ATOM 1609 C LYS B 149 7.823 5.606 1.816 1.00 0.00 C ATOM 1610 O LYS B 149 8.932 6.039 1.483 1.00 0.00 O ATOM 1611 CB LYS B 149 5.704 6.883 1.276 1.00 0.00 C ATOM 1612 CG LYS B 149 4.755 7.304 0.138 1.00 0.00 C ATOM 1613 CD LYS B 149 3.788 8.395 0.625 1.00 0.00 C ATOM 1614 CE LYS B 149 2.877 8.922 -0.495 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.597 9.834 -1.423 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.883 4.598 0.974 1.00 0.00 H new ATOM 0 HA LYS B 149 7.065 5.959 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS B 149 5.118 6.571 2.140 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.300 7.741 1.588 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.333 7.673 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.191 6.440 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.172 7.996 1.431 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.361 9.223 1.042 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.471 8.081 -1.057 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.030 9.449 -0.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 2.910 10.321 -2.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.132 10.537 -0.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.253 9.283 -2.012 1.00 0.00 H new ATOM 1629 N ARG B 150 7.622 4.955 2.970 1.00 0.00 N ATOM 1630 CA ARG B 150 8.678 4.698 3.971 1.00 0.00 C ATOM 1631 C ARG B 150 9.833 3.865 3.404 1.00 0.00 C ATOM 1632 O ARG B 150 10.995 4.248 3.543 1.00 0.00 O ATOM 1633 CB ARG B 150 8.043 4.022 5.206 1.00 0.00 C ATOM 1634 CG ARG B 150 9.013 3.968 6.392 1.00 0.00 C ATOM 1635 CD ARG B 150 8.364 3.367 7.645 1.00 0.00 C ATOM 1636 NE ARG B 150 8.174 1.903 7.555 1.00 0.00 N ATOM 1637 CZ ARG B 150 8.954 0.953 8.033 1.00 0.00 C ATOM 1638 NH1 ARG B 150 10.077 1.206 8.646 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 8.617 -0.297 7.910 1.00 0.00 N ATOM 0 H ARG B 150 6.711 4.585 3.242 1.00 0.00 H new ATOM 0 HA ARG B 150 9.118 5.651 4.264 1.00 0.00 H new ATOM 0 HB2 ARG B 150 7.145 4.567 5.496 1.00 0.00 H new ATOM 0 HB3 ARG B 150 7.731 3.010 4.946 1.00 0.00 H new ATOM 0 HG2 ARG B 150 9.886 3.376 6.118 1.00 0.00 H new ATOM 0 HG3 ARG B 150 9.367 4.974 6.616 1.00 0.00 H new ATOM 0 HD2 ARG B 150 8.984 3.594 8.512 1.00 0.00 H new ATOM 0 HD3 ARG B 150 7.398 3.843 7.810 1.00 0.00 H new ATOM 0 HE ARG B 150 7.337 1.590 7.063 1.00 0.00 H new ATOM 0 HH11 ARG B 150 10.383 2.171 8.772 1.00 0.00 H new ATOM 0 HH12 ARG B 150 10.649 0.439 9.000 1.00 0.00 H new ATOM 0 HH21 ARG B 150 7.746 -0.547 7.442 1.00 0.00 H new ATOM 0 HH22 ARG B 150 9.224 -1.028 8.281 1.00 0.00 H new ATOM 1653 N LEU B 151 9.524 2.755 2.735 1.00 0.00 N ATOM 1654 CA LEU B 151 10.532 1.828 2.194 1.00 0.00 C ATOM 1655 C LEU B 151 11.224 2.355 0.925 1.00 0.00 C ATOM 1656 O LEU B 151 12.433 2.158 0.764 1.00 0.00 O ATOM 1657 CB LEU B 151 9.893 0.445 1.958 1.00 0.00 C ATOM 1658 CG LEU B 151 9.879 -0.507 3.173 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.294 -0.974 3.525 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.245 0.087 4.430 1.00 0.00 C ATOM 0 H LEU B 151 8.563 2.467 2.549 1.00 0.00 H new ATOM 0 HA LEU B 151 11.323 1.737 2.938 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.866 0.593 1.625 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.425 -0.045 1.143 1.00 0.00 H new ATOM 0 HG LEU B 151 9.259 -1.345 2.855 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.253 -1.643 4.384 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.725 -1.502 2.674 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.913 -0.110 3.767 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.276 -0.647 5.235 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.797 0.978 4.730 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.209 0.355 4.223 1.00 0.00 H new ATOM 1672 N LYS B 152 10.500 3.078 0.058 1.00 0.00 N ATOM 1673 CA LYS B 152 11.095 3.780 -1.095 1.00 0.00 C ATOM 1674 C LYS B 152 12.117 4.831 -0.648 1.00 0.00 C ATOM 1675 O LYS B 152 13.220 4.883 -1.190 1.00 0.00 O ATOM 1676 CB LYS B 152 10.006 4.426 -1.967 1.00 0.00 C ATOM 1677 CG LYS B 152 9.221 3.389 -2.789 1.00 0.00 C ATOM 1678 CD LYS B 152 8.213 4.029 -3.759 1.00 0.00 C ATOM 1679 CE LYS B 152 8.950 4.703 -4.918 1.00 0.00 C ATOM 1680 NZ LYS B 152 8.028 5.426 -5.815 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.489 3.194 0.133 1.00 0.00 H new ATOM 0 HA LYS B 152 11.621 3.035 -1.693 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.315 4.979 -1.330 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.466 5.148 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS B 152 9.922 2.776 -3.355 1.00 0.00 H new ATOM 0 HG3 LYS B 152 8.690 2.722 -2.110 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.534 3.268 -4.144 1.00 0.00 H new ATOM 0 HD3 LYS B 152 7.604 4.762 -3.230 1.00 0.00 H new ATOM 0 HE2 LYS B 152 9.690 5.399 -4.521 1.00 0.00 H new ATOM 0 HE3 LYS B 152 9.494 3.950 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 8.575 5.937 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.392 4.747 -6.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 7.466 6.104 -5.262 1.00 0.00 H new ATOM 1694 N ALA B 153 11.797 5.619 0.383 1.00 0.00 N ATOM 1695 CA ALA B 153 12.713 6.609 0.957 1.00 0.00 C ATOM 1696 C ALA B 153 13.970 5.963 1.571 1.00 0.00 C ATOM 1697 O ALA B 153 15.083 6.445 1.350 1.00 0.00 O ATOM 1698 CB ALA B 153 11.947 7.443 1.988 1.00 0.00 C ATOM 0 H ALA B 153 10.889 5.587 0.846 1.00 0.00 H new ATOM 0 HA ALA B 153 13.076 7.255 0.158 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.615 8.185 2.425 1.00 0.00 H new ATOM 0 HB2 ALA B 153 11.113 7.948 1.500 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.567 6.790 2.774 1.00 0.00 H new ATOM 1704 N ALA B 154 13.824 4.831 2.271 1.00 0.00 N ATOM 1705 CA ALA B 154 14.946 4.081 2.845 1.00 0.00 C ATOM 1706 C ALA B 154 15.897 3.509 1.773 1.00 0.00 C ATOM 1707 O ALA B 154 17.119 3.623 1.899 1.00 0.00 O ATOM 1708 CB ALA B 154 14.375 2.974 3.744 1.00 0.00 C ATOM 0 H ALA B 154 12.915 4.407 2.456 1.00 0.00 H new ATOM 0 HA ALA B 154 15.558 4.763 3.434 1.00 0.00 H new ATOM 0 HB1 ALA B 154 15.193 2.403 4.182 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.779 3.422 4.539 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.747 2.311 3.150 1.00 0.00 H new ATOM 1714 N ASN B 155 15.350 2.935 0.697 1.00 0.00 N ATOM 1715 CA ASN B 155 16.125 2.420 -0.435 1.00 0.00 C ATOM 1716 C ASN B 155 16.838 3.565 -1.191 1.00 0.00 C ATOM 1717 O ASN B 155 18.025 3.478 -1.509 1.00 0.00 O ATOM 1718 CB ASN B 155 15.162 1.605 -1.322 1.00 0.00 C ATOM 1719 CG ASN B 155 15.869 0.648 -2.274 1.00 0.00 C ATOM 1720 OD1 ASN B 155 16.880 0.957 -2.888 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.363 -0.557 -2.436 1.00 0.00 N ATOM 0 H ASN B 155 14.343 2.814 0.587 1.00 0.00 H new ATOM 0 HA ASN B 155 16.929 1.766 -0.097 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.487 1.035 -0.683 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.547 2.293 -1.902 1.00 0.00 H new ATOM 0 HD21 ASN B 155 15.814 -1.219 -3.067 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.520 -0.828 -1.930 1.00 0.00 H new ATOM 1728 N GLN B 156 16.160 4.695 -1.396 1.00 0.00 N ATOM 1729 CA GLN B 156 16.732 5.893 -2.024 1.00 0.00 C ATOM 1730 C GLN B 156 17.879 6.522 -1.195 1.00 0.00 C ATOM 1731 O GLN B 156 18.864 7.001 -1.764 1.00 0.00 O ATOM 1732 CB GLN B 156 15.592 6.890 -2.287 1.00 0.00 C ATOM 1733 CG GLN B 156 16.050 8.166 -3.018 1.00 0.00 C ATOM 1734 CD GLN B 156 14.897 9.083 -3.425 1.00 0.00 C ATOM 1735 OE1 GLN B 156 13.743 8.932 -3.037 1.00 0.00 O ATOM 1736 NE2 GLN B 156 15.167 10.105 -4.215 1.00 0.00 N ATOM 0 H GLN B 156 15.183 4.808 -1.127 1.00 0.00 H new ATOM 0 HA GLN B 156 17.197 5.608 -2.968 1.00 0.00 H new ATOM 0 HB2 GLN B 156 14.819 6.399 -2.879 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.137 7.169 -1.337 1.00 0.00 H new ATOM 0 HG2 GLN B 156 16.733 8.719 -2.373 1.00 0.00 H new ATOM 0 HG3 GLN B 156 16.611 7.883 -3.909 1.00 0.00 H new ATOM 0 HE21 GLN B 156 16.119 10.252 -4.551 1.00 0.00 H new ATOM 0 HE22 GLN B 156 14.424 10.748 -4.489 1.00 0.00 H new