USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=15 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 -89:sc= 0.853 USER MOD Set 1.2: B 144 SER OG : rot 180:sc= 0.906 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0545 X(o=-0.055,f=0) USER MOD Single : A 22 MET CE :methyl 173:sc= -0.31 (180deg=-0.371) USER MOD Single : A 34 MET CE :methyl 154:sc= -0.0282 (180deg=-0.251) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.805 K(o=0.81,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 72:sc= 0.642 USER MOD Single : A 49 LYS NZ :NH3+ -154:sc= 1.26 (180deg=1.01) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= 2.25 (180deg=1.58) USER MOD Single : A 55 ASN : amide:sc= -0.0449 K(o=-0.045,f=-1.5) USER MOD Single : B 115 SER OG : rot 180:sc= 0.393 USER MOD Single : B 120 GLN : amide:sc= 0.688 K(o=0.69,f=0) USER MOD Single : B 122 MET CE :methyl -171:sc= -0.562 (180deg=-0.63) USER MOD Single : B 133 SER OG : rot 28:sc= 0.0339 USER MOD Single : B 134 MET CE :methyl -172:sc= -0.013 (180deg=-0.216) USER MOD Single : B 135 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : B 138 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 139 GLN : amide:sc= 0.894 K(o=0.89,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 THR OG1 : rot 73:sc= 0.835 USER MOD Single : B 149 LYS NZ :NH3+ -153:sc= 1.32 (180deg=0.882) USER MOD Single : B 152 LYS NZ :NH3+ 170:sc= 1.47 (180deg=1.37) USER MOD Single : B 155 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 156 GLN : amide:sc=-0.00527 X(o=-0.0053,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -8.961 12.709 0.519 1.00 0.00 N ATOM 115 CA PRO A 10 -10.057 11.812 0.140 1.00 0.00 C ATOM 116 C PRO A 10 -9.608 10.624 -0.728 1.00 0.00 C ATOM 117 O PRO A 10 -8.517 10.618 -1.312 1.00 0.00 O ATOM 118 CB PRO A 10 -11.081 12.689 -0.587 1.00 0.00 C ATOM 119 CG PRO A 10 -10.217 13.799 -1.175 1.00 0.00 C ATOM 120 CD PRO A 10 -9.181 14.019 -0.079 1.00 0.00 C ATOM 0 HA PRO A 10 -10.479 11.343 1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.611 12.135 -1.362 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.835 13.082 0.096 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.756 13.500 -2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.795 14.701 -1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.256 14.423 -0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.540 14.733 0.662 1.00 0.00 H new ATOM 128 N ILE A 11 -10.470 9.607 -0.830 1.00 0.00 N ATOM 129 CA ILE A 11 -10.161 8.332 -1.502 1.00 0.00 C ATOM 130 C ILE A 11 -9.789 8.482 -2.992 1.00 0.00 C ATOM 131 O ILE A 11 -8.926 7.758 -3.490 1.00 0.00 O ATOM 132 CB ILE A 11 -11.284 7.299 -1.265 1.00 0.00 C ATOM 133 CG1 ILE A 11 -10.803 5.903 -1.712 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.614 7.684 -1.939 1.00 0.00 C ATOM 135 CD1 ILE A 11 -11.643 4.766 -1.134 1.00 0.00 C ATOM 0 H ILE A 11 -11.414 9.642 -0.445 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.253 7.949 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.497 7.282 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.828 5.848 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.764 5.769 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.361 6.917 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.958 8.640 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.466 7.767 -3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.254 3.811 -1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.598 4.797 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.678 4.877 -1.458 1.00 0.00 H new ATOM 147 N ASP A 12 -10.357 9.469 -3.686 1.00 0.00 N ATOM 148 CA ASP A 12 -10.023 9.790 -5.087 1.00 0.00 C ATOM 149 C ASP A 12 -8.555 10.220 -5.274 1.00 0.00 C ATOM 150 O ASP A 12 -7.984 10.005 -6.345 1.00 0.00 O ATOM 151 CB ASP A 12 -10.944 10.912 -5.598 1.00 0.00 C ATOM 152 CG ASP A 12 -12.441 10.555 -5.642 1.00 0.00 C ATOM 153 OD1 ASP A 12 -12.806 9.355 -5.663 1.00 0.00 O ATOM 154 OD2 ASP A 12 -13.277 11.491 -5.688 1.00 0.00 O1- ATOM 0 H ASP A 12 -11.072 10.080 -3.292 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.171 8.875 -5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.813 11.787 -4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.624 11.196 -6.600 1.00 0.00 H new ATOM 159 N GLU A 13 -7.923 10.791 -4.240 1.00 0.00 N ATOM 160 CA GLU A 13 -6.501 11.159 -4.263 1.00 0.00 C ATOM 161 C GLU A 13 -5.595 9.981 -3.879 1.00 0.00 C ATOM 162 O GLU A 13 -4.695 9.636 -4.651 1.00 0.00 O ATOM 163 CB GLU A 13 -6.234 12.384 -3.374 1.00 0.00 C ATOM 164 CG GLU A 13 -6.993 13.649 -3.797 1.00 0.00 C ATOM 165 CD GLU A 13 -6.701 14.107 -5.239 1.00 0.00 C ATOM 166 OE1 GLU A 13 -5.535 14.021 -5.702 1.00 0.00 O ATOM 167 OE2 GLU A 13 -7.639 14.591 -5.924 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.387 11.012 -3.359 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.253 11.428 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.504 12.139 -2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.165 12.597 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.063 13.469 -3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.739 14.458 -3.112 1.00 0.00 H new ATOM 174 N LEU A 14 -5.825 9.314 -2.735 1.00 0.00 N ATOM 175 CA LEU A 14 -4.947 8.217 -2.284 1.00 0.00 C ATOM 176 C LEU A 14 -4.951 7.005 -3.237 1.00 0.00 C ATOM 177 O LEU A 14 -3.915 6.361 -3.411 1.00 0.00 O ATOM 178 CB LEU A 14 -5.221 7.827 -0.824 1.00 0.00 C ATOM 179 CG LEU A 14 -6.600 7.197 -0.560 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.494 5.686 -0.395 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.221 7.754 0.718 1.00 0.00 C ATOM 0 H LEU A 14 -6.605 9.512 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.929 8.606 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.452 7.125 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.121 8.717 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.222 7.439 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.484 5.270 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.081 5.249 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.841 5.457 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.195 7.292 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.570 7.535 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.343 8.833 0.623 1.00 0.00 H new ATOM 193 N SER A 15 -6.079 6.731 -3.906 1.00 0.00 N ATOM 194 CA SER A 15 -6.174 5.699 -4.951 1.00 0.00 C ATOM 195 C SER A 15 -5.359 6.047 -6.213 1.00 0.00 C ATOM 196 O SER A 15 -4.855 5.150 -6.885 1.00 0.00 O ATOM 197 CB SER A 15 -7.655 5.476 -5.311 1.00 0.00 C ATOM 198 OG SER A 15 -7.817 4.379 -6.198 1.00 0.00 O ATOM 0 H SER A 15 -6.957 7.221 -3.737 1.00 0.00 H new ATOM 0 HA SER A 15 -5.742 4.782 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.228 5.297 -4.401 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.059 6.379 -5.770 1.00 0.00 H new ATOM 0 HG SER A 15 -8.768 4.264 -6.405 1.00 0.00 H new ATOM 204 N ALA A 16 -5.180 7.337 -6.526 1.00 0.00 N ATOM 205 CA ALA A 16 -4.285 7.796 -7.588 1.00 0.00 C ATOM 206 C ALA A 16 -2.812 7.867 -7.139 1.00 0.00 C ATOM 207 O ALA A 16 -1.913 7.634 -7.951 1.00 0.00 O ATOM 208 CB ALA A 16 -4.764 9.163 -8.087 1.00 0.00 C ATOM 0 H ALA A 16 -5.659 8.096 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.321 7.066 -8.397 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.102 9.513 -8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.779 9.074 -8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.752 9.876 -7.263 1.00 0.00 H new ATOM 214 N LEU A 17 -2.536 8.194 -5.874 1.00 0.00 N ATOM 215 CA LEU A 17 -1.176 8.264 -5.326 1.00 0.00 C ATOM 216 C LEU A 17 -0.473 6.902 -5.381 1.00 0.00 C ATOM 217 O LEU A 17 0.666 6.847 -5.838 1.00 0.00 O ATOM 218 CB LEU A 17 -1.211 8.816 -3.882 1.00 0.00 C ATOM 219 CG LEU A 17 -0.815 10.299 -3.760 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.739 11.241 -4.528 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.837 10.705 -2.286 1.00 0.00 C ATOM 0 H LEU A 17 -3.259 8.421 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.596 8.948 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.216 8.686 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.541 8.221 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 17 0.181 10.391 -4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.401 12.269 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.721 10.985 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.756 11.143 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.557 11.754 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.840 10.560 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.130 10.091 -1.729 1.00 0.00 H new ATOM 233 N LEU A 18 -1.133 5.800 -4.999 1.00 0.00 N ATOM 234 CA LEU A 18 -0.509 4.468 -5.056 1.00 0.00 C ATOM 235 C LEU A 18 -0.149 4.056 -6.494 1.00 0.00 C ATOM 236 O LEU A 18 0.920 3.489 -6.724 1.00 0.00 O ATOM 237 CB LEU A 18 -1.373 3.443 -4.292 1.00 0.00 C ATOM 238 CG LEU A 18 -2.684 3.001 -4.972 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.514 1.728 -5.811 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.742 2.701 -3.920 1.00 0.00 C ATOM 0 H LEU A 18 -2.091 5.802 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 18 0.452 4.503 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.767 2.555 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.620 3.865 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.980 3.824 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.468 1.462 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.775 1.903 -6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.178 0.912 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.664 2.390 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.390 1.902 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.930 3.596 -3.328 1.00 0.00 H new ATOM 252 N ARG A 19 -0.988 4.406 -7.478 1.00 0.00 N ATOM 253 CA ARG A 19 -0.723 4.150 -8.907 1.00 0.00 C ATOM 254 C ARG A 19 0.468 4.972 -9.414 1.00 0.00 C ATOM 255 O ARG A 19 1.367 4.434 -10.063 1.00 0.00 O ATOM 256 CB ARG A 19 -2.004 4.416 -9.730 1.00 0.00 C ATOM 257 CG ARG A 19 -3.125 3.424 -9.378 1.00 0.00 C ATOM 258 CD ARG A 19 -4.407 3.667 -10.190 1.00 0.00 C ATOM 259 NE ARG A 19 -4.230 3.276 -11.604 1.00 0.00 N ATOM 260 CZ ARG A 19 -5.159 3.007 -12.494 1.00 0.00 C ATOM 261 NH1 ARG A 19 -6.434 3.132 -12.255 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -4.786 2.606 -13.669 1.00 0.00 N ATOM 0 H ARG A 19 -1.876 4.878 -7.308 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.448 3.103 -9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.349 5.434 -9.547 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.775 4.343 -10.793 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.774 2.407 -9.556 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.353 3.501 -8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.229 3.100 -9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.681 4.720 -10.133 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.266 3.206 -11.930 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.752 3.452 -11.341 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.113 2.909 -12.982 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.794 2.507 -13.883 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.485 2.390 -14.380 1.00 0.00 H new ATOM 276 N GLN A 20 0.521 6.257 -9.059 1.00 0.00 N ATOM 277 CA GLN A 20 1.621 7.162 -9.409 1.00 0.00 C ATOM 278 C GLN A 20 2.952 6.819 -8.707 1.00 0.00 C ATOM 279 O GLN A 20 4.014 6.960 -9.318 1.00 0.00 O ATOM 280 CB GLN A 20 1.186 8.606 -9.119 1.00 0.00 C ATOM 281 CG GLN A 20 0.183 9.114 -10.169 1.00 0.00 C ATOM 282 CD GLN A 20 -0.446 10.445 -9.765 1.00 0.00 C ATOM 283 OE1 GLN A 20 -0.156 11.501 -10.313 1.00 0.00 O ATOM 284 NE2 GLN A 20 -1.312 10.443 -8.777 1.00 0.00 N ATOM 0 H GLN A 20 -0.212 6.707 -8.510 1.00 0.00 H new ATOM 0 HA GLN A 20 1.827 7.040 -10.472 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.735 8.659 -8.128 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.061 9.255 -9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.689 9.229 -11.128 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.602 8.371 -10.310 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.558 9.567 -8.316 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.738 11.318 -8.471 1.00 0.00 H new ATOM 293 N GLU A 21 2.927 6.307 -7.470 1.00 0.00 N ATOM 294 CA GLU A 21 4.120 5.801 -6.754 1.00 0.00 C ATOM 295 C GLU A 21 4.703 4.528 -7.392 1.00 0.00 C ATOM 296 O GLU A 21 5.917 4.310 -7.339 1.00 0.00 O ATOM 297 CB GLU A 21 3.769 5.535 -5.272 1.00 0.00 C ATOM 298 CG GLU A 21 3.638 6.812 -4.415 1.00 0.00 C ATOM 299 CD GLU A 21 4.976 7.491 -4.068 1.00 0.00 C ATOM 300 OE1 GLU A 21 4.953 8.493 -3.313 1.00 0.00 O ATOM 301 OE2 GLU A 21 6.054 7.035 -4.517 1.00 0.00 O1- ATOM 0 H GLU A 21 2.068 6.229 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 21 4.887 6.572 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.831 4.982 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.538 4.896 -4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.010 7.527 -4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.122 6.561 -3.488 1.00 0.00 H new ATOM 308 N MET A 22 3.865 3.717 -8.056 1.00 0.00 N ATOM 309 CA MET A 22 4.275 2.573 -8.892 1.00 0.00 C ATOM 310 C MET A 22 4.699 2.980 -10.323 1.00 0.00 C ATOM 311 O MET A 22 5.214 2.152 -11.073 1.00 0.00 O ATOM 312 CB MET A 22 3.129 1.554 -8.977 1.00 0.00 C ATOM 313 CG MET A 22 2.770 0.936 -7.619 1.00 0.00 C ATOM 314 SD MET A 22 1.190 0.049 -7.651 1.00 0.00 S ATOM 315 CE MET A 22 0.755 0.138 -5.896 1.00 0.00 C ATOM 0 H MET A 22 2.853 3.841 -8.027 1.00 0.00 H new ATOM 0 HA MET A 22 5.149 2.136 -8.410 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.247 2.042 -9.392 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.408 0.759 -9.669 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.561 0.250 -7.316 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.725 1.723 -6.866 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.253 -0.251 -5.751 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.461 -0.456 -5.316 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.795 1.175 -5.563 1.00 0.00 H new ATOM 325 N GLY A 23 4.485 4.240 -10.715 1.00 0.00 N ATOM 326 CA GLY A 23 4.810 4.774 -12.045 1.00 0.00 C ATOM 327 C GLY A 23 3.758 4.532 -13.143 1.00 0.00 C ATOM 328 O GLY A 23 4.070 4.695 -14.326 1.00 0.00 O ATOM 0 H GLY A 23 4.069 4.938 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.972 5.848 -11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.754 4.336 -12.370 1.00 0.00 H new ATOM 420 N MET A 34 -16.759 -4.701 -3.597 1.00 0.00 N ATOM 421 CA MET A 34 -15.802 -5.572 -2.905 1.00 0.00 C ATOM 422 C MET A 34 -14.669 -6.060 -3.833 1.00 0.00 C ATOM 423 O MET A 34 -13.552 -6.311 -3.376 1.00 0.00 O ATOM 424 CB MET A 34 -16.560 -6.761 -2.299 1.00 0.00 C ATOM 425 CG MET A 34 -15.934 -7.196 -0.969 1.00 0.00 C ATOM 426 SD MET A 34 -16.202 -5.989 0.365 1.00 0.00 S ATOM 427 CE MET A 34 -15.024 -6.621 1.585 1.00 0.00 C ATOM 0 HA MET A 34 -15.322 -4.993 -2.116 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.604 -6.488 -2.141 1.00 0.00 H new ATOM 0 HB3 MET A 34 -16.551 -7.597 -2.999 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.354 -8.157 -0.673 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.863 -7.345 -1.108 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.706 -5.809 2.238 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.500 -7.400 2.181 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.156 -7.036 1.072 1.00 0.00 H new ATOM 437 N GLN A 35 -14.929 -6.140 -5.145 1.00 0.00 N ATOM 438 CA GLN A 35 -13.917 -6.431 -6.168 1.00 0.00 C ATOM 439 C GLN A 35 -12.937 -5.268 -6.392 1.00 0.00 C ATOM 440 O GLN A 35 -11.767 -5.493 -6.707 1.00 0.00 O ATOM 441 CB GLN A 35 -14.620 -6.775 -7.493 1.00 0.00 C ATOM 442 CG GLN A 35 -15.504 -8.031 -7.394 1.00 0.00 C ATOM 443 CD GLN A 35 -16.113 -8.466 -8.730 1.00 0.00 C ATOM 444 OE1 GLN A 35 -16.040 -7.800 -9.758 1.00 0.00 O ATOM 445 NE2 GLN A 35 -16.756 -9.617 -8.769 1.00 0.00 N ATOM 0 H GLN A 35 -15.863 -6.002 -5.531 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.329 -7.276 -5.810 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.233 -5.929 -7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.869 -6.926 -8.268 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.909 -8.851 -6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.308 -7.842 -6.683 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.830 -10.189 -7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.179 -9.936 -9.641 1.00 0.00 H new ATOM 454 N ASP A 36 -13.388 -4.018 -6.220 1.00 0.00 N ATOM 455 CA ASP A 36 -12.560 -2.820 -6.405 1.00 0.00 C ATOM 456 C ASP A 36 -11.532 -2.675 -5.272 1.00 0.00 C ATOM 457 O ASP A 36 -10.345 -2.474 -5.533 1.00 0.00 O ATOM 458 CB ASP A 36 -13.426 -1.549 -6.466 1.00 0.00 C ATOM 459 CG ASP A 36 -14.530 -1.550 -7.532 1.00 0.00 C ATOM 460 OD1 ASP A 36 -15.504 -0.780 -7.348 1.00 0.00 O ATOM 461 OD2 ASP A 36 -14.429 -2.266 -8.554 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.348 -3.809 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.034 -2.940 -7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.888 -1.398 -5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.773 -0.694 -6.645 1.00 0.00 H new ATOM 466 N ILE A 37 -11.975 -2.824 -4.016 1.00 0.00 N ATOM 467 CA ILE A 37 -11.088 -2.786 -2.844 1.00 0.00 C ATOM 468 C ILE A 37 -10.079 -3.941 -2.869 1.00 0.00 C ATOM 469 O ILE A 37 -8.908 -3.698 -2.584 1.00 0.00 O ATOM 470 CB ILE A 37 -11.896 -2.707 -1.529 1.00 0.00 C ATOM 471 CG1 ILE A 37 -10.956 -2.581 -0.313 1.00 0.00 C ATOM 472 CG2 ILE A 37 -12.871 -3.879 -1.365 1.00 0.00 C ATOM 473 CD1 ILE A 37 -11.677 -2.469 1.038 1.00 0.00 C ATOM 0 H ILE A 37 -12.957 -2.974 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.499 -1.870 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.506 -1.805 -1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.296 -3.448 -0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.324 -1.703 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.412 -3.773 -0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.580 -3.881 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.315 -4.817 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.941 -2.384 1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.315 -1.586 1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.287 -3.358 1.199 1.00 0.00 H new ATOM 485 N GLN A 38 -10.466 -5.159 -3.292 1.00 0.00 N ATOM 486 CA GLN A 38 -9.507 -6.257 -3.462 1.00 0.00 C ATOM 487 C GLN A 38 -8.398 -5.888 -4.458 1.00 0.00 C ATOM 488 O GLN A 38 -7.224 -6.046 -4.131 1.00 0.00 O ATOM 489 CB GLN A 38 -10.205 -7.549 -3.927 1.00 0.00 C ATOM 490 CG GLN A 38 -10.774 -8.391 -2.771 1.00 0.00 C ATOM 491 CD GLN A 38 -11.009 -9.844 -3.194 1.00 0.00 C ATOM 492 OE1 GLN A 38 -12.131 -10.281 -3.414 1.00 0.00 O ATOM 493 NE2 GLN A 38 -9.969 -10.650 -3.333 1.00 0.00 N ATOM 0 H GLN A 38 -11.430 -5.403 -3.520 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.057 -6.432 -2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.014 -7.290 -4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.494 -8.154 -4.491 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.085 -8.364 -1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.713 -7.954 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.027 -10.302 -3.154 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.109 -11.619 -3.619 1.00 0.00 H new ATOM 502 N GLN A 39 -8.739 -5.366 -5.643 1.00 0.00 N ATOM 503 CA GLN A 39 -7.750 -5.002 -6.667 1.00 0.00 C ATOM 504 C GLN A 39 -6.809 -3.879 -6.203 1.00 0.00 C ATOM 505 O GLN A 39 -5.592 -4.036 -6.292 1.00 0.00 O ATOM 506 CB GLN A 39 -8.467 -4.609 -7.971 1.00 0.00 C ATOM 507 CG GLN A 39 -9.036 -5.828 -8.714 1.00 0.00 C ATOM 508 CD GLN A 39 -9.976 -5.413 -9.838 1.00 0.00 C ATOM 509 OE1 GLN A 39 -9.603 -5.335 -11.002 1.00 0.00 O ATOM 510 NE2 GLN A 39 -11.224 -5.114 -9.541 1.00 0.00 N ATOM 0 H GLN A 39 -9.704 -5.184 -5.919 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.126 -5.877 -6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.276 -3.915 -7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.769 -4.083 -8.622 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.217 -6.419 -9.124 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.570 -6.467 -8.010 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.547 -5.175 -8.575 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.867 -4.822 -10.277 1.00 0.00 H new ATOM 519 N LEU A 40 -7.342 -2.772 -5.670 1.00 0.00 N ATOM 520 CA LEU A 40 -6.535 -1.633 -5.206 1.00 0.00 C ATOM 521 C LEU A 40 -5.622 -2.015 -4.022 1.00 0.00 C ATOM 522 O LEU A 40 -4.424 -1.719 -4.032 1.00 0.00 O ATOM 523 CB LEU A 40 -7.464 -0.468 -4.813 1.00 0.00 C ATOM 524 CG LEU A 40 -8.232 0.173 -5.985 1.00 0.00 C ATOM 525 CD1 LEU A 40 -9.297 1.129 -5.441 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.304 0.944 -6.927 1.00 0.00 C ATOM 0 H LEU A 40 -8.346 -2.639 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.886 -1.325 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.185 -0.829 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.869 0.303 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.696 -0.634 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.839 1.581 -6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.994 0.577 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.817 1.911 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.888 1.379 -7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.803 1.739 -6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.559 0.264 -7.341 1.00 0.00 H new ATOM 538 N LEU A 41 -6.176 -2.706 -3.025 1.00 0.00 N ATOM 539 CA LEU A 41 -5.461 -3.035 -1.792 1.00 0.00 C ATOM 540 C LEU A 41 -4.426 -4.157 -1.998 1.00 0.00 C ATOM 541 O LEU A 41 -3.344 -4.090 -1.418 1.00 0.00 O ATOM 542 CB LEU A 41 -6.515 -3.333 -0.706 1.00 0.00 C ATOM 543 CG LEU A 41 -6.035 -3.283 0.755 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.460 -1.915 1.117 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.230 -3.548 1.680 1.00 0.00 C ATOM 0 H LEU A 41 -7.135 -3.054 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.855 -2.191 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.332 -2.621 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.927 -4.324 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.256 -4.036 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.133 -1.921 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.611 -1.695 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.226 -1.151 0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.901 -3.515 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.992 -2.786 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.647 -4.531 1.463 1.00 0.00 H new ATOM 557 N ALA A 42 -4.686 -5.126 -2.891 1.00 0.00 N ATOM 558 CA ALA A 42 -3.696 -6.129 -3.308 1.00 0.00 C ATOM 559 C ALA A 42 -2.541 -5.513 -4.112 1.00 0.00 C ATOM 560 O ALA A 42 -1.383 -5.859 -3.878 1.00 0.00 O ATOM 561 CB ALA A 42 -4.385 -7.215 -4.139 1.00 0.00 C ATOM 0 H ALA A 42 -5.593 -5.235 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.267 -6.561 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.650 -7.958 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.158 -7.696 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.838 -6.765 -5.022 1.00 0.00 H new ATOM 567 N LYS A 43 -2.824 -4.588 -5.044 1.00 0.00 N ATOM 568 CA LYS A 43 -1.817 -3.897 -5.859 1.00 0.00 C ATOM 569 C LYS A 43 -0.903 -3.023 -5.000 1.00 0.00 C ATOM 570 O LYS A 43 0.317 -3.065 -5.164 1.00 0.00 O ATOM 571 CB LYS A 43 -2.590 -3.110 -6.930 1.00 0.00 C ATOM 572 CG LYS A 43 -1.728 -2.360 -7.941 1.00 0.00 C ATOM 573 CD LYS A 43 -0.798 -3.269 -8.755 1.00 0.00 C ATOM 574 CE LYS A 43 -0.161 -2.490 -9.918 1.00 0.00 C ATOM 575 NZ LYS A 43 0.729 -3.354 -10.729 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.778 -4.296 -5.254 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.139 -4.601 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.235 -3.803 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.241 -2.393 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.378 -1.814 -8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.127 -1.619 -7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.018 -3.672 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.360 -4.118 -9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.945 -2.076 -10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.408 -1.648 -9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.142 -2.797 -11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.491 -3.729 -10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.180 -4.144 -11.124 1.00 0.00 H new ATOM 589 N SER A 44 -1.474 -2.317 -4.023 1.00 0.00 N ATOM 590 CA SER A 44 -0.732 -1.566 -3.005 1.00 0.00 C ATOM 591 C SER A 44 0.149 -2.467 -2.119 1.00 0.00 C ATOM 592 O SER A 44 1.347 -2.213 -1.961 1.00 0.00 O ATOM 593 CB SER A 44 -1.721 -0.733 -2.187 1.00 0.00 C ATOM 594 OG SER A 44 -1.032 0.165 -1.342 1.00 0.00 O ATOM 0 H SER A 44 -2.486 -2.249 -3.914 1.00 0.00 H new ATOM 0 HA SER A 44 -0.031 -0.899 -3.507 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.379 -0.179 -2.856 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.353 -1.391 -1.590 1.00 0.00 H new ATOM 0 HG SER A 44 -0.844 -0.271 -0.485 1.00 0.00 H new ATOM 600 N LEU A 45 -0.395 -3.589 -1.621 1.00 0.00 N ATOM 601 CA LEU A 45 0.357 -4.585 -0.842 1.00 0.00 C ATOM 602 C LEU A 45 1.507 -5.227 -1.645 1.00 0.00 C ATOM 603 O LEU A 45 2.608 -5.404 -1.124 1.00 0.00 O ATOM 604 CB LEU A 45 -0.653 -5.604 -0.265 1.00 0.00 C ATOM 605 CG LEU A 45 -0.135 -6.786 0.583 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.384 -7.957 -0.256 1.00 0.00 C ATOM 607 CD2 LEU A 45 0.919 -6.391 1.622 1.00 0.00 C ATOM 0 H LEU A 45 -1.377 -3.832 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 45 0.870 -4.097 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.364 -5.049 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.211 -6.022 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.023 -7.118 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.732 -8.752 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.419 -8.336 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.209 -7.618 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.232 -7.275 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.781 -5.954 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.494 -5.662 2.312 1.00 0.00 H new ATOM 619 N THR A 46 1.302 -5.504 -2.932 1.00 0.00 N ATOM 620 CA THR A 46 2.339 -6.072 -3.818 1.00 0.00 C ATOM 621 C THR A 46 3.568 -5.162 -3.923 1.00 0.00 C ATOM 622 O THR A 46 4.696 -5.646 -3.846 1.00 0.00 O ATOM 623 CB THR A 46 1.769 -6.377 -5.218 1.00 0.00 C ATOM 624 OG1 THR A 46 0.777 -7.382 -5.121 1.00 0.00 O ATOM 625 CG2 THR A 46 2.818 -6.901 -6.208 1.00 0.00 C ATOM 0 H THR A 46 0.410 -5.343 -3.400 1.00 0.00 H new ATOM 0 HA THR A 46 2.663 -7.009 -3.366 1.00 0.00 H new ATOM 0 HB THR A 46 1.378 -5.429 -5.586 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.024 -7.011 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.345 -7.094 -7.171 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.605 -6.157 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.250 -7.825 -5.825 1.00 0.00 H new ATOM 633 N GLU A 47 3.384 -3.842 -4.036 1.00 0.00 N ATOM 634 CA GLU A 47 4.497 -2.888 -4.152 1.00 0.00 C ATOM 635 C GLU A 47 5.340 -2.788 -2.868 1.00 0.00 C ATOM 636 O GLU A 47 6.562 -2.638 -2.952 1.00 0.00 O ATOM 637 CB GLU A 47 3.952 -1.523 -4.609 1.00 0.00 C ATOM 638 CG GLU A 47 5.010 -0.436 -4.859 1.00 0.00 C ATOM 639 CD GLU A 47 5.882 -0.664 -6.113 1.00 0.00 C ATOM 640 OE1 GLU A 47 6.496 0.312 -6.605 1.00 0.00 O ATOM 641 OE2 GLU A 47 5.942 -1.799 -6.647 1.00 0.00 O1- ATOM 0 H GLU A 47 2.463 -3.404 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 47 5.188 -3.260 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.382 -1.668 -5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.254 -1.159 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.508 0.527 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.661 -0.373 -3.987 1.00 0.00 H new ATOM 648 N ILE A 48 4.737 -2.949 -1.683 1.00 0.00 N ATOM 649 CA ILE A 48 5.474 -3.054 -0.407 1.00 0.00 C ATOM 650 C ILE A 48 6.478 -4.211 -0.481 1.00 0.00 C ATOM 651 O ILE A 48 7.658 -4.039 -0.171 1.00 0.00 O ATOM 652 CB ILE A 48 4.518 -3.243 0.799 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.537 -2.060 0.961 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.315 -3.469 2.099 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.368 -2.372 1.909 1.00 0.00 C ATOM 0 H ILE A 48 3.724 -3.011 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 48 6.010 -2.118 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 48 3.920 -4.131 0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.081 -1.194 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.141 -1.788 -0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.624 -3.599 2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.932 -4.362 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.954 -2.606 2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.715 -1.502 1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.802 -3.219 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.757 -2.616 2.898 1.00 0.00 H new ATOM 667 N LYS A 49 6.017 -5.386 -0.921 1.00 0.00 N ATOM 668 CA LYS A 49 6.837 -6.603 -1.032 1.00 0.00 C ATOM 669 C LYS A 49 7.942 -6.487 -2.086 1.00 0.00 C ATOM 670 O LYS A 49 9.057 -6.940 -1.827 1.00 0.00 O ATOM 671 CB LYS A 49 5.928 -7.820 -1.274 1.00 0.00 C ATOM 672 CG LYS A 49 5.071 -8.130 -0.033 1.00 0.00 C ATOM 673 CD LYS A 49 4.154 -9.335 -0.291 1.00 0.00 C ATOM 674 CE LYS A 49 3.290 -9.671 0.930 1.00 0.00 C ATOM 675 NZ LYS A 49 4.095 -10.229 2.051 1.00 0.00 N1+ ATOM 0 H LYS A 49 5.050 -5.524 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 49 7.361 -6.740 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.279 -7.628 -2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.537 -8.688 -1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.718 -8.336 0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.470 -7.259 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.509 -9.124 -1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.760 -10.202 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.775 -8.772 1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.522 -10.390 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.491 -10.830 2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.877 -10.797 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.480 -9.450 2.623 1.00 0.00 H new ATOM 689 N ARG A 50 7.695 -5.816 -3.223 1.00 0.00 N ATOM 690 CA ARG A 50 8.741 -5.525 -4.230 1.00 0.00 C ATOM 691 C ARG A 50 9.861 -4.649 -3.670 1.00 0.00 C ATOM 692 O ARG A 50 11.035 -4.969 -3.865 1.00 0.00 O ATOM 693 CB ARG A 50 8.160 -4.889 -5.505 1.00 0.00 C ATOM 694 CG ARG A 50 7.220 -5.825 -6.286 1.00 0.00 C ATOM 695 CD ARG A 50 7.174 -5.503 -7.785 1.00 0.00 C ATOM 696 NE ARG A 50 6.805 -4.104 -8.073 1.00 0.00 N ATOM 697 CZ ARG A 50 6.847 -3.494 -9.236 1.00 0.00 C ATOM 698 NH1 ARG A 50 7.194 -4.095 -10.341 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 6.539 -2.237 -9.295 1.00 0.00 N ATOM 0 H ARG A 50 6.773 -5.460 -3.473 1.00 0.00 H new ATOM 0 HA ARG A 50 9.170 -6.491 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.616 -3.984 -5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.980 -4.585 -6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.546 -6.856 -6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.214 -5.751 -5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.150 -5.711 -8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.458 -6.167 -8.270 1.00 0.00 H new ATOM 0 HE ARG A 50 6.481 -3.548 -7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.448 -5.083 -10.326 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.211 -3.577 -11.220 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.270 -1.738 -8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.566 -1.747 -10.189 1.00 0.00 H new ATOM 713 N LEU A 51 9.523 -3.582 -2.945 1.00 0.00 N ATOM 714 CA LEU A 51 10.504 -2.671 -2.339 1.00 0.00 C ATOM 715 C LEU A 51 11.289 -3.342 -1.200 1.00 0.00 C ATOM 716 O LEU A 51 12.506 -3.167 -1.130 1.00 0.00 O ATOM 717 CB LEU A 51 9.801 -1.383 -1.861 1.00 0.00 C ATOM 718 CG LEU A 51 9.784 -0.230 -2.892 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.195 0.343 -3.101 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.210 -0.613 -4.254 1.00 0.00 C ATOM 0 H LEU A 51 8.555 -3.321 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 51 11.236 -2.406 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.773 -1.626 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.294 -1.033 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 51 9.120 0.518 -2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.155 1.152 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.576 0.726 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.856 -0.443 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.235 0.253 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.805 -1.418 -4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.180 -0.948 -4.134 1.00 0.00 H new ATOM 732 N LYS A 52 10.637 -4.151 -0.354 1.00 0.00 N ATOM 733 CA LYS A 52 11.315 -4.914 0.716 1.00 0.00 C ATOM 734 C LYS A 52 12.264 -5.970 0.154 1.00 0.00 C ATOM 735 O LYS A 52 13.384 -6.090 0.651 1.00 0.00 O ATOM 736 CB LYS A 52 10.284 -5.528 1.675 1.00 0.00 C ATOM 737 CG LYS A 52 9.690 -4.432 2.567 1.00 0.00 C ATOM 738 CD LYS A 52 8.704 -4.979 3.605 1.00 0.00 C ATOM 739 CE LYS A 52 8.145 -3.801 4.407 1.00 0.00 C ATOM 740 NZ LYS A 52 7.295 -4.247 5.532 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.628 -4.298 -0.387 1.00 0.00 H new ATOM 0 HA LYS A 52 11.931 -4.216 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.492 -6.017 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.756 -6.294 2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.498 -3.910 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.182 -3.697 1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.896 -5.520 3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.204 -5.686 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.970 -3.201 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.564 -3.157 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.690 -3.460 5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.698 -5.041 5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.898 -4.554 6.322 1.00 0.00 H new ATOM 754 N ALA A 53 11.877 -6.659 -0.924 1.00 0.00 N ATOM 755 CA ALA A 53 12.743 -7.596 -1.635 1.00 0.00 C ATOM 756 C ALA A 53 13.983 -6.902 -2.233 1.00 0.00 C ATOM 757 O ALA A 53 15.101 -7.389 -2.057 1.00 0.00 O ATOM 758 CB ALA A 53 11.918 -8.318 -2.712 1.00 0.00 C ATOM 0 H ALA A 53 10.944 -6.579 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 53 13.127 -8.329 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.556 -9.020 -3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.098 -8.860 -2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.514 -7.587 -3.412 1.00 0.00 H new ATOM 764 N ALA A 54 13.818 -5.731 -2.867 1.00 0.00 N ATOM 765 CA ALA A 54 14.930 -4.942 -3.418 1.00 0.00 C ATOM 766 C ALA A 54 15.881 -4.400 -2.331 1.00 0.00 C ATOM 767 O ALA A 54 17.106 -4.492 -2.469 1.00 0.00 O ATOM 768 CB ALA A 54 14.334 -3.804 -4.258 1.00 0.00 C ATOM 0 H ALA A 54 12.904 -5.303 -3.013 1.00 0.00 H new ATOM 0 HA ALA A 54 15.547 -5.592 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.139 -3.202 -4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.734 -4.224 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.705 -3.177 -3.627 1.00 0.00 H new ATOM 774 N ASN A 55 15.331 -3.892 -1.220 1.00 0.00 N ATOM 775 CA ASN A 55 16.094 -3.413 -0.063 1.00 0.00 C ATOM 776 C ASN A 55 16.925 -4.549 0.576 1.00 0.00 C ATOM 777 O ASN A 55 18.121 -4.389 0.817 1.00 0.00 O ATOM 778 CB ASN A 55 15.091 -2.764 0.911 1.00 0.00 C ATOM 779 CG ASN A 55 15.732 -2.005 2.063 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.593 -2.497 2.778 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.315 -0.781 2.303 1.00 0.00 N ATOM 0 H ASN A 55 14.322 -3.801 -1.099 1.00 0.00 H new ATOM 0 HA ASN A 55 16.831 -2.668 -0.361 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.452 -2.080 0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.445 -3.541 1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.710 -0.251 3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.597 -0.362 1.712 1.00 0.00 H new ATOM 1054 N PRO B 110 -8.043 -13.752 -0.692 1.00 0.00 N ATOM 1055 CA PRO B 110 -9.216 -12.935 -0.357 1.00 0.00 C ATOM 1056 C PRO B 110 -8.890 -11.680 0.470 1.00 0.00 C ATOM 1057 O PRO B 110 -7.784 -11.521 0.997 1.00 0.00 O ATOM 1058 CB PRO B 110 -10.169 -13.881 0.383 1.00 0.00 C ATOM 1059 CG PRO B 110 -9.223 -14.877 1.043 1.00 0.00 C ATOM 1060 CD PRO B 110 -8.128 -15.040 -0.005 1.00 0.00 C ATOM 0 HA PRO B 110 -9.662 -12.526 -1.264 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -10.773 -13.350 1.119 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -10.860 -14.374 -0.301 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -8.829 -14.498 1.986 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -9.719 -15.823 1.262 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -7.177 -15.299 0.460 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -8.371 -15.841 -0.703 1.00 0.00 H new ATOM 1068 N ILE B 111 -9.894 -10.809 0.625 1.00 0.00 N ATOM 1069 CA ILE B 111 -9.800 -9.518 1.331 1.00 0.00 C ATOM 1070 C ILE B 111 -9.291 -9.653 2.779 1.00 0.00 C ATOM 1071 O ILE B 111 -8.502 -8.830 3.244 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.167 -8.791 1.252 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -11.055 -7.300 1.631 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.259 -9.450 2.117 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -10.549 -6.452 0.456 1.00 0.00 C ATOM 0 H ILE B 111 -10.827 -10.986 0.252 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.046 -8.912 0.828 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.466 -8.876 0.207 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -12.029 -6.932 1.952 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -10.378 -7.190 2.478 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.190 -8.892 2.016 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.414 -10.477 1.787 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -11.946 -9.448 3.161 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -10.484 -5.408 0.762 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -9.563 -6.803 0.152 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -11.241 -6.542 -0.382 1.00 0.00 H new ATOM 1087 N ASP B 112 -9.694 -10.717 3.485 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.275 -10.991 4.868 1.00 0.00 C ATOM 1089 C ASP B 112 -7.771 -11.311 4.967 1.00 0.00 C ATOM 1090 O ASP B 112 -7.085 -10.843 5.877 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.128 -12.155 5.404 1.00 0.00 C ATOM 1092 CG ASP B 112 -9.921 -12.446 6.904 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -10.007 -13.635 7.298 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -9.726 -11.502 7.705 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.328 -11.421 3.108 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.432 -10.099 5.474 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -11.180 -11.931 5.230 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -9.895 -13.055 4.834 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.237 -12.063 3.998 1.00 0.00 N ATOM 1100 CA GLU B 113 -5.815 -12.412 3.921 1.00 0.00 C ATOM 1101 C GLU B 113 -4.947 -11.210 3.526 1.00 0.00 C ATOM 1102 O GLU B 113 -3.971 -10.927 4.215 1.00 0.00 O ATOM 1103 CB GLU B 113 -5.589 -13.586 2.951 1.00 0.00 C ATOM 1104 CG GLU B 113 -6.177 -14.926 3.432 1.00 0.00 C ATOM 1105 CD GLU B 113 -5.546 -15.480 4.726 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -6.226 -16.254 5.447 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -4.364 -15.191 5.024 1.00 0.00 O1- ATOM 0 H GLU B 113 -7.790 -12.452 3.234 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.507 -12.722 4.920 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.029 -13.335 1.986 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -4.518 -13.709 2.791 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -7.248 -14.801 3.591 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -6.057 -15.665 2.640 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.293 -10.455 2.471 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.492 -9.288 2.059 1.00 0.00 C ATOM 1116 C LEU B 114 -4.524 -8.145 3.098 1.00 0.00 C ATOM 1117 O LEU B 114 -3.503 -7.486 3.310 1.00 0.00 O ATOM 1118 CB LEU B 114 -4.858 -8.853 0.626 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.274 -8.291 0.427 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.277 -6.769 0.494 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -6.836 -8.694 -0.935 1.00 0.00 C ATOM 0 H LEU B 114 -6.114 -10.628 1.891 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.445 -9.589 2.030 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.141 -8.097 0.304 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -4.734 -9.711 -0.034 1.00 0.00 H new ATOM 0 HG LEU B 114 -6.889 -8.703 1.227 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.293 -6.400 0.350 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -5.909 -6.447 1.468 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -5.631 -6.369 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -7.839 -8.284 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.192 -8.306 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -6.879 -9.781 -1.004 1.00 0.00 H new ATOM 1133 N SER B 115 -5.644 -7.966 3.811 1.00 0.00 N ATOM 1134 CA SER B 115 -5.736 -7.092 4.993 1.00 0.00 C ATOM 1135 C SER B 115 -4.800 -7.559 6.122 1.00 0.00 C ATOM 1136 O SER B 115 -4.006 -6.771 6.639 1.00 0.00 O ATOM 1137 CB SER B 115 -7.186 -7.020 5.479 1.00 0.00 C ATOM 1138 OG SER B 115 -7.318 -6.216 6.645 1.00 0.00 O ATOM 0 H SER B 115 -6.524 -8.429 3.582 1.00 0.00 H new ATOM 0 HA SER B 115 -5.411 -6.093 4.701 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.814 -6.615 4.686 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.548 -8.026 5.690 1.00 0.00 H new ATOM 0 HG SER B 115 -8.258 -6.194 6.923 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.808 -8.846 6.478 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.889 -9.393 7.481 1.00 0.00 C ATOM 1146 C ALA B 116 -2.406 -9.279 7.067 1.00 0.00 C ATOM 1147 O ALA B 116 -1.552 -9.020 7.917 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.284 -10.848 7.771 1.00 0.00 C ATOM 0 H ALA B 116 -5.447 -9.535 6.082 1.00 0.00 H new ATOM 0 HA ALA B 116 -3.980 -8.797 8.389 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.608 -11.267 8.516 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.306 -10.879 8.150 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.220 -11.432 6.853 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.096 -9.436 5.774 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.748 -9.270 5.215 1.00 0.00 C ATOM 1156 C LEU B 117 -0.257 -7.822 5.318 1.00 0.00 C ATOM 1157 O LEU B 117 0.820 -7.606 5.871 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.700 -9.797 3.765 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.141 -11.228 3.631 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -0.897 -12.295 4.427 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.167 -11.651 2.159 1.00 0.00 C ATOM 0 H LEU B 117 -2.791 -9.688 5.071 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.059 -9.867 5.813 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.707 -9.772 3.348 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.089 -9.123 3.165 1.00 0.00 H new ATOM 0 HG LEU B 117 0.868 -11.176 4.040 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.429 -13.267 4.269 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.867 -12.047 5.488 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.934 -12.332 4.092 1.00 0.00 H new ATOM 0 HD21 LEU B 117 0.228 -12.662 2.064 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.193 -11.626 1.791 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.445 -10.966 1.573 1.00 0.00 H new ATOM 1173 N LEU B 118 -1.013 -6.816 4.862 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.558 -5.417 4.965 1.00 0.00 C ATOM 1175 C LEU B 118 -0.428 -4.946 6.427 1.00 0.00 C ATOM 1176 O LEU B 118 0.505 -4.210 6.752 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.411 -4.487 4.076 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.855 -4.205 4.540 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.997 -2.994 5.467 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.729 -3.919 3.324 1.00 0.00 C ATOM 0 H LEU B 118 -1.927 -6.936 4.425 1.00 0.00 H new ATOM 0 HA LEU B 118 0.456 -5.364 4.570 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.891 -3.533 3.987 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.455 -4.920 3.077 1.00 0.00 H new ATOM 0 HG LEU B 118 -3.157 -5.095 5.092 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -4.044 -2.869 5.744 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -2.400 -3.151 6.365 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.649 -2.099 4.952 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.750 -3.719 3.649 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.341 -3.050 2.793 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.722 -4.783 2.660 1.00 0.00 H new ATOM 1192 N ARG B 119 -1.290 -5.436 7.335 1.00 0.00 N ATOM 1193 CA ARG B 119 -1.200 -5.170 8.783 1.00 0.00 C ATOM 1194 C ARG B 119 0.100 -5.714 9.375 1.00 0.00 C ATOM 1195 O ARG B 119 0.857 -4.945 9.973 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.434 -5.749 9.500 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.720 -4.951 9.209 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.953 -5.765 9.622 1.00 0.00 C ATOM 1199 NE ARG B 119 -6.219 -5.097 9.255 1.00 0.00 N ATOM 1200 CZ ARG B 119 -6.897 -4.226 9.980 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -6.454 -3.771 11.118 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -8.059 -3.800 9.574 1.00 0.00 N ATOM 0 H ARG B 119 -2.077 -6.034 7.083 1.00 0.00 H new ATOM 0 HA ARG B 119 -1.186 -4.091 8.935 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.576 -6.785 9.191 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -2.253 -5.759 10.575 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -3.701 -4.006 9.751 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.774 -4.708 8.148 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -4.913 -6.746 9.148 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.932 -5.930 10.699 1.00 0.00 H new ATOM 0 HE ARG B 119 -6.611 -5.334 8.344 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -5.554 -4.087 11.478 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -7.008 -3.099 11.649 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -8.448 -4.139 8.694 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -8.580 -3.127 10.136 1.00 0.00 H new ATOM 1216 N GLN B 120 0.394 -7.001 9.186 1.00 0.00 N ATOM 1217 CA GLN B 120 1.613 -7.622 9.735 1.00 0.00 C ATOM 1218 C GLN B 120 2.901 -7.154 9.028 1.00 0.00 C ATOM 1219 O GLN B 120 3.957 -7.105 9.660 1.00 0.00 O ATOM 1220 CB GLN B 120 1.468 -9.155 9.774 1.00 0.00 C ATOM 1221 CG GLN B 120 1.710 -9.861 8.432 1.00 0.00 C ATOM 1222 CD GLN B 120 1.204 -11.303 8.443 1.00 0.00 C ATOM 1223 OE1 GLN B 120 1.961 -12.264 8.465 1.00 0.00 O ATOM 1224 NE2 GLN B 120 -0.100 -11.506 8.448 1.00 0.00 N ATOM 0 H GLN B 120 -0.195 -7.642 8.655 1.00 0.00 H new ATOM 0 HA GLN B 120 1.723 -7.277 10.763 1.00 0.00 H new ATOM 0 HB2 GLN B 120 2.168 -9.553 10.509 1.00 0.00 H new ATOM 0 HB3 GLN B 120 0.465 -9.402 10.122 1.00 0.00 H new ATOM 0 HG2 GLN B 120 1.211 -9.308 7.636 1.00 0.00 H new ATOM 0 HG3 GLN B 120 2.776 -9.853 8.205 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -0.740 -10.712 8.430 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -0.468 -12.457 8.470 1.00 0.00 H new ATOM 1233 N GLU B 121 2.831 -6.726 7.761 1.00 0.00 N ATOM 1234 CA GLU B 121 3.939 -6.058 7.052 1.00 0.00 C ATOM 1235 C GLU B 121 4.337 -4.731 7.726 1.00 0.00 C ATOM 1236 O GLU B 121 5.527 -4.466 7.912 1.00 0.00 O ATOM 1237 CB GLU B 121 3.563 -5.794 5.583 1.00 0.00 C ATOM 1238 CG GLU B 121 3.737 -7.016 4.670 1.00 0.00 C ATOM 1239 CD GLU B 121 5.200 -7.379 4.358 1.00 0.00 C ATOM 1240 OE1 GLU B 121 5.421 -8.388 3.647 1.00 0.00 O ATOM 1241 OE2 GLU B 121 6.125 -6.656 4.800 1.00 0.00 O1- ATOM 0 H GLU B 121 1.994 -6.834 7.189 1.00 0.00 H new ATOM 0 HA GLU B 121 4.795 -6.732 7.094 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.526 -5.463 5.537 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.176 -4.977 5.202 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.255 -7.874 5.138 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.215 -6.830 3.732 1.00 0.00 H new ATOM 1248 N MET B 122 3.355 -3.926 8.150 1.00 0.00 N ATOM 1249 CA MET B 122 3.558 -2.700 8.943 1.00 0.00 C ATOM 1250 C MET B 122 3.881 -2.956 10.432 1.00 0.00 C ATOM 1251 O MET B 122 4.209 -2.013 11.160 1.00 0.00 O ATOM 1252 CB MET B 122 2.325 -1.792 8.804 1.00 0.00 C ATOM 1253 CG MET B 122 2.284 -1.137 7.421 1.00 0.00 C ATOM 1254 SD MET B 122 0.901 0.000 7.154 1.00 0.00 S ATOM 1255 CE MET B 122 -0.422 -1.200 6.843 1.00 0.00 C ATOM 0 H MET B 122 2.372 -4.111 7.948 1.00 0.00 H new ATOM 0 HA MET B 122 4.442 -2.208 8.537 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.418 -2.376 8.961 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.346 -1.022 9.575 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.216 -0.594 7.265 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.241 -1.921 6.665 1.00 0.00 H new ATOM 0 HE1 MET B 122 -1.315 -0.677 6.501 1.00 0.00 H new ATOM 0 HE2 MET B 122 -0.100 -1.906 6.078 1.00 0.00 H new ATOM 0 HE3 MET B 122 -0.648 -1.739 7.763 1.00 0.00 H new ATOM 1349 N SER B 133 -16.997 0.132 5.616 1.00 0.00 N ATOM 1350 CA SER B 133 -17.397 1.531 5.349 1.00 0.00 C ATOM 1351 C SER B 133 -16.288 2.324 4.639 1.00 0.00 C ATOM 1352 O SER B 133 -15.129 1.904 4.625 1.00 0.00 O ATOM 1353 CB SER B 133 -17.777 2.235 6.661 1.00 0.00 C ATOM 1354 OG SER B 133 -18.870 1.600 7.304 1.00 0.00 O ATOM 0 HA SER B 133 -18.261 1.498 4.685 1.00 0.00 H new ATOM 0 HB2 SER B 133 -16.917 2.244 7.331 1.00 0.00 H new ATOM 0 HB3 SER B 133 -18.031 3.275 6.455 1.00 0.00 H new ATOM 0 HG SER B 133 -18.879 0.648 7.070 1.00 0.00 H new ATOM 1360 N MET B 134 -16.614 3.506 4.095 1.00 0.00 N ATOM 1361 CA MET B 134 -15.660 4.390 3.396 1.00 0.00 C ATOM 1362 C MET B 134 -14.437 4.760 4.260 1.00 0.00 C ATOM 1363 O MET B 134 -13.309 4.780 3.765 1.00 0.00 O ATOM 1364 CB MET B 134 -16.404 5.653 2.923 1.00 0.00 C ATOM 1365 CG MET B 134 -15.567 6.539 1.983 1.00 0.00 C ATOM 1366 SD MET B 134 -15.951 6.409 0.208 1.00 0.00 S ATOM 1367 CE MET B 134 -15.400 4.721 -0.154 1.00 0.00 C ATOM 0 H MET B 134 -17.561 3.883 4.127 1.00 0.00 H new ATOM 0 HA MET B 134 -15.263 3.846 2.539 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.319 5.356 2.411 1.00 0.00 H new ATOM 0 HB3 MET B 134 -16.701 6.238 3.793 1.00 0.00 H new ATOM 0 HG2 MET B 134 -15.695 7.578 2.287 1.00 0.00 H new ATOM 0 HG3 MET B 134 -14.515 6.292 2.125 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.440 4.548 -1.229 1.00 0.00 H new ATOM 0 HE2 MET B 134 -14.376 4.589 0.197 1.00 0.00 H new ATOM 0 HE3 MET B 134 -16.052 4.009 0.352 1.00 0.00 H new ATOM 1377 N GLN B 135 -14.632 4.964 5.568 1.00 0.00 N ATOM 1378 CA GLN B 135 -13.542 5.196 6.521 1.00 0.00 C ATOM 1379 C GLN B 135 -12.588 3.996 6.681 1.00 0.00 C ATOM 1380 O GLN B 135 -11.416 4.188 6.997 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.128 5.615 7.883 1.00 0.00 C ATOM 1382 CG GLN B 135 -15.122 4.604 8.496 1.00 0.00 C ATOM 1383 CD GLN B 135 -15.052 4.577 10.024 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -15.304 5.565 10.710 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -14.698 3.463 10.630 1.00 0.00 N ATOM 0 H GLN B 135 -15.557 4.973 5.997 1.00 0.00 H new ATOM 0 HA GLN B 135 -12.931 6.001 6.112 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -13.308 5.768 8.584 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -14.632 6.575 7.767 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -16.135 4.859 8.185 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -14.911 3.608 8.107 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -14.484 2.630 10.082 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -14.638 3.433 11.648 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.054 2.763 6.475 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.257 1.542 6.647 1.00 0.00 C ATOM 1396 C ASP B 136 -11.354 1.300 5.428 1.00 0.00 C ATOM 1397 O ASP B 136 -10.155 1.053 5.584 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.167 0.332 6.905 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.180 0.521 8.051 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -15.269 -0.095 7.969 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -13.897 1.248 9.033 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.013 2.579 6.179 1.00 0.00 H new ATOM 0 HA ASP B 136 -11.615 1.675 7.518 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -13.713 0.103 5.990 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -12.543 -0.533 7.129 1.00 0.00 H new ATOM 1406 N ILE B 137 -11.899 1.446 4.212 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.122 1.407 2.959 1.00 0.00 C ATOM 1408 C ILE B 137 -10.121 2.565 2.868 1.00 0.00 C ATOM 1409 O ILE B 137 -8.983 2.332 2.458 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.046 1.312 1.721 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.216 1.230 0.422 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.080 2.441 1.646 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -12.067 1.005 -0.834 1.00 0.00 C ATOM 0 H ILE B 137 -12.897 1.596 4.066 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.525 0.495 2.971 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.616 0.390 1.833 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.647 2.152 0.305 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.494 0.419 0.512 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.694 2.313 0.755 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.715 2.412 2.531 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.567 3.402 1.599 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.419 0.958 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.616 0.068 -0.738 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.771 1.829 -0.949 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.476 3.782 3.311 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.513 4.891 3.411 1.00 0.00 C ATOM 1427 C GLN B 138 -8.340 4.541 4.336 1.00 0.00 C ATOM 1428 O GLN B 138 -7.195 4.677 3.922 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.189 6.185 3.887 1.00 0.00 C ATOM 1430 CG GLN B 138 -10.923 6.942 2.770 1.00 0.00 C ATOM 1431 CD GLN B 138 -11.334 8.340 3.224 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -12.472 8.596 3.598 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -10.419 9.290 3.255 1.00 0.00 N ATOM 0 H GLN B 138 -11.422 4.023 3.606 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.121 5.056 2.407 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -10.899 5.944 4.679 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.435 6.840 4.323 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.278 7.017 1.894 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -11.807 6.381 2.468 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -9.467 9.092 2.947 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -10.663 10.223 3.587 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.591 4.040 5.553 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.527 3.649 6.486 1.00 0.00 C ATOM 1444 C GLN B 139 -6.636 2.520 5.941 1.00 0.00 C ATOM 1445 O GLN B 139 -5.414 2.655 5.940 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.133 3.256 7.844 1.00 0.00 C ATOM 1447 CG GLN B 139 -8.563 4.485 8.661 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.368 4.078 9.893 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -8.872 4.002 11.010 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -10.636 3.777 9.731 1.00 0.00 N ATOM 0 H GLN B 139 -9.533 3.895 5.917 1.00 0.00 H new ATOM 0 HA GLN B 139 -6.880 4.517 6.614 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -8.995 2.609 7.682 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.404 2.680 8.413 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -7.681 5.046 8.969 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.161 5.149 8.036 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -11.060 3.837 8.805 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -11.197 3.484 10.531 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.218 1.436 5.424 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.477 0.309 4.846 1.00 0.00 C ATOM 1461 C LEU B 140 -5.586 0.733 3.676 1.00 0.00 C ATOM 1462 O LEU B 140 -4.382 0.458 3.678 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.472 -0.776 4.389 1.00 0.00 C ATOM 1464 CG LEU B 140 -8.118 -1.586 5.525 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -9.287 -2.406 4.975 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -7.122 -2.555 6.160 1.00 0.00 C ATOM 0 H LEU B 140 -8.230 1.313 5.394 1.00 0.00 H new ATOM 0 HA LEU B 140 -5.818 -0.086 5.619 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.262 -0.301 3.807 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -6.954 -1.464 3.721 1.00 0.00 H new ATOM 0 HG LEU B 140 -8.458 -0.876 6.279 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -9.742 -2.979 5.783 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -10.030 -1.736 4.542 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -8.923 -3.089 4.207 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -7.613 -3.110 6.959 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -6.759 -3.251 5.404 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -6.282 -1.996 6.571 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.167 1.417 2.685 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.467 1.772 1.446 1.00 0.00 C ATOM 1480 C LEU B 141 -4.439 2.901 1.653 1.00 0.00 C ATOM 1481 O LEU B 141 -3.361 2.855 1.061 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.537 2.083 0.378 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.044 2.113 -1.081 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.520 0.746 -1.530 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.203 2.474 -2.014 1.00 0.00 C ATOM 0 H LEU B 141 -7.134 1.740 2.719 1.00 0.00 H new ATOM 0 HA LEU B 141 -4.859 0.936 1.099 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.329 1.339 0.458 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -6.984 3.050 0.610 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.243 2.850 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.182 0.808 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.687 0.448 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.318 0.007 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.848 2.494 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -7.994 1.730 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.594 3.456 -1.746 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.720 3.872 2.535 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.771 4.937 2.885 1.00 0.00 C ATOM 1499 C ALA B 142 -2.587 4.423 3.712 1.00 0.00 C ATOM 1500 O ALA B 142 -1.458 4.856 3.476 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.501 6.059 3.636 1.00 0.00 C ATOM 0 H ALA B 142 -5.612 3.940 3.025 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.359 5.325 1.953 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.792 6.846 3.893 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.286 6.471 3.002 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.944 5.658 4.548 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.801 3.486 4.649 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.710 2.855 5.413 1.00 0.00 C ATOM 1509 C LYS B 143 -0.822 1.989 4.515 1.00 0.00 C ATOM 1510 O LYS B 143 0.401 2.111 4.574 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.266 2.053 6.597 1.00 0.00 C ATOM 1512 CG LYS B 143 -2.749 2.956 7.747 1.00 0.00 C ATOM 1513 CD LYS B 143 -3.361 2.140 8.900 1.00 0.00 C ATOM 1514 CE LYS B 143 -2.341 1.188 9.543 1.00 0.00 C ATOM 1515 NZ LYS B 143 -2.927 0.453 10.694 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.729 3.145 4.898 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.081 3.650 5.814 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.094 1.433 6.254 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -1.495 1.378 6.969 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -1.912 3.544 8.123 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -3.489 3.661 7.369 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -3.749 2.820 9.658 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -4.207 1.564 8.526 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -1.988 0.475 8.798 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -1.473 1.756 9.877 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -2.210 -0.180 11.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -3.241 1.132 11.416 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -3.740 -0.109 10.370 1.00 0.00 H new ATOM 1529 N SER B 144 -1.418 1.186 3.626 1.00 0.00 N ATOM 1530 CA SER B 144 -0.673 0.414 2.624 1.00 0.00 C ATOM 1531 C SER B 144 0.169 1.317 1.697 1.00 0.00 C ATOM 1532 O SER B 144 1.363 1.068 1.499 1.00 0.00 O ATOM 1533 CB SER B 144 -1.659 -0.453 1.833 1.00 0.00 C ATOM 1534 OG SER B 144 -0.972 -1.348 0.980 1.00 0.00 O ATOM 0 H SER B 144 -2.428 1.053 3.581 1.00 0.00 H new ATOM 0 HA SER B 144 0.042 -0.230 3.136 1.00 0.00 H new ATOM 0 HB2 SER B 144 -2.291 -1.014 2.522 1.00 0.00 H new ATOM 0 HB3 SER B 144 -2.318 0.184 1.243 1.00 0.00 H new ATOM 0 HG SER B 144 -1.620 -1.892 0.486 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.396 2.437 1.232 1.00 0.00 N ATOM 1541 CA LEU B 145 0.320 3.472 0.466 1.00 0.00 C ATOM 1542 C LEU B 145 1.442 4.138 1.289 1.00 0.00 C ATOM 1543 O LEU B 145 2.557 4.318 0.797 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.743 4.454 -0.073 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.315 5.704 -0.872 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.047 6.895 0.013 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.828 5.449 -1.852 1.00 0.00 C ATOM 0 H LEU B 145 -1.381 2.657 1.378 1.00 0.00 H new ATOM 0 HA LEU B 145 0.855 3.035 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.419 3.881 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.325 4.801 0.781 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.208 5.952 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.338 7.738 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.815 7.174 0.619 1.00 0.00 H new ATOM 0 HD13 LEU B 145 0.877 6.624 0.666 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.072 6.374 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.704 5.099 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.525 4.692 -2.575 1.00 0.00 H new ATOM 1559 N THR B 146 1.197 4.453 2.561 1.00 0.00 N ATOM 1560 CA THR B 146 2.211 5.001 3.477 1.00 0.00 C ATOM 1561 C THR B 146 3.393 4.043 3.656 1.00 0.00 C ATOM 1562 O THR B 146 4.538 4.493 3.655 1.00 0.00 O ATOM 1563 CB THR B 146 1.593 5.356 4.843 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.627 6.377 4.689 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.619 5.891 5.849 1.00 0.00 C ATOM 0 H THR B 146 0.281 4.336 2.994 1.00 0.00 H new ATOM 0 HA THR B 146 2.591 5.916 3.022 1.00 0.00 H new ATOM 0 HB THR B 146 1.165 4.426 5.218 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.171 6.009 4.256 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.120 6.122 6.790 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.387 5.137 6.021 1.00 0.00 H new ATOM 0 HG23 THR B 146 3.081 6.795 5.452 1.00 0.00 H new ATOM 1573 N GLU B 147 3.166 2.730 3.746 1.00 0.00 N ATOM 1574 CA GLU B 147 4.246 1.740 3.867 1.00 0.00 C ATOM 1575 C GLU B 147 5.135 1.673 2.609 1.00 0.00 C ATOM 1576 O GLU B 147 6.349 1.504 2.743 1.00 0.00 O ATOM 1577 CB GLU B 147 3.643 0.377 4.239 1.00 0.00 C ATOM 1578 CG GLU B 147 4.650 -0.775 4.433 1.00 0.00 C ATOM 1579 CD GLU B 147 5.543 -0.678 5.682 1.00 0.00 C ATOM 1580 OE1 GLU B 147 6.128 -1.717 6.068 1.00 0.00 O ATOM 1581 OE2 GLU B 147 5.654 0.408 6.300 1.00 0.00 O1- ATOM 0 H GLU B 147 2.232 2.321 3.737 1.00 0.00 H new ATOM 0 HA GLU B 147 4.917 2.054 4.667 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.072 0.493 5.160 1.00 0.00 H new ATOM 0 HB3 GLU B 147 2.937 0.089 3.460 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.097 -1.713 4.477 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.292 -0.824 3.553 1.00 0.00 H new ATOM 1588 N ILE B 148 4.596 1.895 1.403 1.00 0.00 N ATOM 1589 CA ILE B 148 5.409 2.071 0.183 1.00 0.00 C ATOM 1590 C ILE B 148 6.342 3.276 0.359 1.00 0.00 C ATOM 1591 O ILE B 148 7.555 3.152 0.177 1.00 0.00 O ATOM 1592 CB ILE B 148 4.536 2.227 -1.094 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.663 0.980 -1.355 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.419 2.536 -2.323 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.541 1.233 -2.378 1.00 0.00 C ATOM 0 H ILE B 148 3.591 1.958 1.241 1.00 0.00 H new ATOM 0 HA ILE B 148 6.003 1.168 0.042 1.00 0.00 H new ATOM 0 HB ILE B 148 3.862 3.067 -0.924 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.297 0.168 -1.713 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.222 0.649 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.789 2.641 -3.206 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.966 3.464 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE B 148 6.126 1.721 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.963 0.319 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.886 2.024 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.978 1.535 -3.330 1.00 0.00 H new ATOM 1607 N LYS B 149 5.797 4.426 0.783 1.00 0.00 N ATOM 1608 CA LYS B 149 6.564 5.664 1.017 1.00 0.00 C ATOM 1609 C LYS B 149 7.651 5.481 2.089 1.00 0.00 C ATOM 1610 O LYS B 149 8.776 5.925 1.864 1.00 0.00 O ATOM 1611 CB LYS B 149 5.615 6.824 1.379 1.00 0.00 C ATOM 1612 CG LYS B 149 4.730 7.271 0.207 1.00 0.00 C ATOM 1613 CD LYS B 149 3.715 8.325 0.683 1.00 0.00 C ATOM 1614 CE LYS B 149 2.821 8.842 -0.450 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.537 9.807 -1.321 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.800 4.526 0.976 1.00 0.00 H new ATOM 0 HA LYS B 149 7.079 5.911 0.088 1.00 0.00 H new ATOM 0 HB2 LYS B 149 4.979 6.519 2.210 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.205 7.673 1.725 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.349 7.684 -0.589 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.205 6.412 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.090 7.894 1.465 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.250 9.163 1.129 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.471 8.001 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS B 149 1.938 9.321 -0.027 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 2.852 10.458 -1.755 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.217 10.350 -0.752 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.045 9.291 -2.067 1.00 0.00 H new ATOM 1629 N ARG B 150 7.364 4.789 3.203 1.00 0.00 N ATOM 1630 CA ARG B 150 8.359 4.478 4.256 1.00 0.00 C ATOM 1631 C ARG B 150 9.541 3.672 3.714 1.00 0.00 C ATOM 1632 O ARG B 150 10.689 4.018 3.987 1.00 0.00 O ATOM 1633 CB ARG B 150 7.738 3.728 5.457 1.00 0.00 C ATOM 1634 CG ARG B 150 6.754 4.582 6.275 1.00 0.00 C ATOM 1635 CD ARG B 150 6.640 4.135 7.743 1.00 0.00 C ATOM 1636 NE ARG B 150 6.200 2.730 7.902 1.00 0.00 N ATOM 1637 CZ ARG B 150 5.963 2.100 9.037 1.00 0.00 C ATOM 1638 NH1 ARG B 150 6.056 2.686 10.200 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 5.620 0.850 9.008 1.00 0.00 N ATOM 0 H ARG B 150 6.433 4.425 3.405 1.00 0.00 H new ATOM 0 HA ARG B 150 8.722 5.445 4.604 1.00 0.00 H new ATOM 0 HB2 ARG B 150 7.220 2.841 5.092 1.00 0.00 H new ATOM 0 HB3 ARG B 150 8.538 3.383 6.112 1.00 0.00 H new ATOM 0 HG2 ARG B 150 7.073 5.624 6.243 1.00 0.00 H new ATOM 0 HG3 ARG B 150 5.769 4.536 5.810 1.00 0.00 H new ATOM 0 HD2 ARG B 150 7.608 4.261 8.229 1.00 0.00 H new ATOM 0 HD3 ARG B 150 5.936 4.788 8.259 1.00 0.00 H new ATOM 0 HE ARG B 150 6.066 2.193 7.045 1.00 0.00 H new ATOM 0 HH11 ARG B 150 6.321 3.669 10.256 1.00 0.00 H new ATOM 0 HH12 ARG B 150 5.864 2.160 11.053 1.00 0.00 H new ATOM 0 HH21 ARG B 150 5.536 0.365 8.115 1.00 0.00 H new ATOM 0 HH22 ARG B 150 5.434 0.352 9.878 1.00 0.00 H new ATOM 1653 N LEU B 151 9.281 2.622 2.935 1.00 0.00 N ATOM 1654 CA LEU B 151 10.327 1.739 2.408 1.00 0.00 C ATOM 1655 C LEU B 151 11.123 2.377 1.256 1.00 0.00 C ATOM 1656 O LEU B 151 12.343 2.204 1.201 1.00 0.00 O ATOM 1657 CB LEU B 151 9.721 0.374 2.025 1.00 0.00 C ATOM 1658 CG LEU B 151 9.653 -0.661 3.170 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.047 -1.164 3.558 1.00 0.00 C ATOM 1660 CD2 LEU B 151 8.958 -0.155 4.437 1.00 0.00 C ATOM 0 H LEU B 151 8.338 2.357 2.650 1.00 0.00 H new ATOM 0 HA LEU B 151 11.058 1.576 3.200 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.713 0.536 1.643 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.306 -0.049 1.209 1.00 0.00 H new ATOM 0 HG LEU B 151 9.050 -1.471 2.760 1.00 0.00 H new ATOM 0 HD11 LEU B 151 10.960 -1.890 4.366 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.517 -1.636 2.695 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.658 -0.324 3.889 1.00 0.00 H new ATOM 0 HD21 LEU B 151 8.954 -0.944 5.189 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.493 0.713 4.824 1.00 0.00 H new ATOM 0 HD23 LEU B 151 7.932 0.127 4.201 1.00 0.00 H new ATOM 1672 N LYS B 152 10.487 3.182 0.395 1.00 0.00 N ATOM 1673 CA LYS B 152 11.190 4.004 -0.615 1.00 0.00 C ATOM 1674 C LYS B 152 12.121 5.034 0.040 1.00 0.00 C ATOM 1675 O LYS B 152 13.261 5.194 -0.409 1.00 0.00 O ATOM 1676 CB LYS B 152 10.172 4.664 -1.565 1.00 0.00 C ATOM 1677 CG LYS B 152 9.504 3.621 -2.482 1.00 0.00 C ATOM 1678 CD LYS B 152 8.434 4.186 -3.428 1.00 0.00 C ATOM 1679 CE LYS B 152 9.061 4.948 -4.592 1.00 0.00 C ATOM 1680 NZ LYS B 152 8.039 5.415 -5.563 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.473 3.286 0.374 1.00 0.00 H new ATOM 0 HA LYS B 152 11.828 3.349 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.409 5.181 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.674 5.417 -2.172 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.276 3.135 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS B 152 9.049 2.850 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.821 3.371 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS B 152 7.770 4.849 -2.873 1.00 0.00 H new ATOM 0 HE2 LYS B 152 9.615 5.804 -4.209 1.00 0.00 H new ATOM 0 HE3 LYS B 152 9.779 4.306 -5.102 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 8.479 6.067 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.645 4.598 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 7.277 5.907 -5.055 1.00 0.00 H new ATOM 1694 N ALA B 153 11.688 5.674 1.130 1.00 0.00 N ATOM 1695 CA ALA B 153 12.526 6.579 1.922 1.00 0.00 C ATOM 1696 C ALA B 153 13.672 5.861 2.655 1.00 0.00 C ATOM 1697 O ALA B 153 14.796 6.363 2.667 1.00 0.00 O ATOM 1698 CB ALA B 153 11.631 7.347 2.901 1.00 0.00 C ATOM 0 H ALA B 153 10.739 5.578 1.490 1.00 0.00 H new ATOM 0 HA ALA B 153 13.015 7.273 1.238 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.242 8.025 3.497 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.891 7.921 2.344 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.123 6.642 3.559 1.00 0.00 H new ATOM 1704 N ALA B 154 13.436 4.667 3.209 1.00 0.00 N ATOM 1705 CA ALA B 154 14.465 3.862 3.879 1.00 0.00 C ATOM 1706 C ALA B 154 15.549 3.368 2.896 1.00 0.00 C ATOM 1707 O ALA B 154 16.739 3.410 3.215 1.00 0.00 O ATOM 1708 CB ALA B 154 13.780 2.691 4.595 1.00 0.00 C ATOM 0 H ALA B 154 12.516 4.227 3.205 1.00 0.00 H new ATOM 0 HA ALA B 154 14.984 4.485 4.608 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.531 2.083 5.098 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.074 3.077 5.330 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.247 2.080 3.866 1.00 0.00 H new ATOM 1714 N ASN B 155 15.155 2.959 1.682 1.00 0.00 N ATOM 1715 CA ASN B 155 16.080 2.566 0.612 1.00 0.00 C ATOM 1716 C ASN B 155 16.972 3.754 0.170 1.00 0.00 C ATOM 1717 O ASN B 155 18.186 3.613 0.036 1.00 0.00 O ATOM 1718 CB ASN B 155 15.244 1.967 -0.538 1.00 0.00 C ATOM 1719 CG ASN B 155 16.071 1.156 -1.528 1.00 0.00 C ATOM 1720 OD1 ASN B 155 17.048 1.620 -2.097 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.701 -0.082 -1.783 1.00 0.00 N ATOM 0 H ASN B 155 14.173 2.891 1.413 1.00 0.00 H new ATOM 0 HA ASN B 155 16.779 1.809 0.966 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.466 1.330 -0.118 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.742 2.774 -1.071 1.00 0.00 H new ATOM 0 HD21 ASN B 155 16.229 -0.645 -2.450 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.887 -0.478 -1.313 1.00 0.00 H new ATOM 1728 N GLN B 156 16.395 4.951 0.044 1.00 0.00 N ATOM 1729 CA GLN B 156 17.154 6.183 -0.206 1.00 0.00 C ATOM 1730 C GLN B 156 18.120 6.523 0.948 1.00 0.00 C ATOM 1731 O GLN B 156 19.285 6.835 0.706 1.00 0.00 O ATOM 1732 CB GLN B 156 16.171 7.337 -0.494 1.00 0.00 C ATOM 1733 CG GLN B 156 16.827 8.726 -0.622 1.00 0.00 C ATOM 1734 CD GLN B 156 17.898 8.800 -1.716 1.00 0.00 C ATOM 1735 OE1 GLN B 156 17.758 8.282 -2.818 1.00 0.00 O ATOM 1736 NE2 GLN B 156 19.003 9.467 -1.468 1.00 0.00 N ATOM 0 H GLN B 156 15.388 5.096 0.112 1.00 0.00 H new ATOM 0 HA GLN B 156 17.785 6.028 -1.081 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.635 7.117 -1.417 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.430 7.373 0.305 1.00 0.00 H new ATOM 0 HG2 GLN B 156 16.054 9.466 -0.831 1.00 0.00 H new ATOM 0 HG3 GLN B 156 17.276 8.996 0.334 1.00 0.00 H new ATOM 0 HE21 GLN B 156 19.140 9.906 -0.558 1.00 0.00 H new ATOM 0 HE22 GLN B 156 19.723 9.546 -2.186 1.00 0.00 H new