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: B 133 SER OG : rot 120:sc= 0.602 USER MOD Set 1.2: B 135 GLN : amide:sc= 0.667 X(o=1.3,f=1) USER MOD Set 2.1: A 44 SER OG : rot -145:sc= 0.919 USER MOD Set 2.2: B 144 SER OG : rot 3:sc= 0.856 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.69 K(o=0.69,f=0) USER MOD Single : A 22 MET CE :methyl 155:sc= -0.605 (180deg=-0.891) USER MOD Single : A 34 MET CE :methyl 172:sc= 0 (180deg=-0.0838) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 38 GLN : amide:sc=-0.00305 X(o=-0.0031,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 73:sc= 0.746 USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.09) USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= 2.24 (180deg=1.51) USER MOD Single : A 55 ASN : amide:sc= -0.108 K(o=-0.11,f=-2!) USER MOD Single : B 115 SER OG : rot 180:sc=0.000793 USER MOD Single : B 120 GLN : amide:sc= 0.397 X(o=0.4,f=0) USER MOD Single : B 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 134 MET CE :methyl -165:sc= -0.0154 (180deg=-0.458) USER MOD Single : B 138 GLN : amide:sc=-0.000683 K(o=-0.00068,f=-0.86) USER MOD Single : B 139 GLN : amide:sc= 0.907 K(o=0.91,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= 0.445 USER MOD Single : B 149 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.12) USER MOD Single : B 152 LYS NZ :NH3+ 175:sc= 2.31 (180deg=2.21) USER MOD Single : B 155 ASN : amide:sc= -0.0115 K(o=-0.011,f=-0.83) USER MOD Single : B 156 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -10.180 12.185 0.438 1.00 0.00 N ATOM 115 CA PRO A 10 -11.094 11.311 -0.305 1.00 0.00 C ATOM 116 C PRO A 10 -10.389 10.177 -1.071 1.00 0.00 C ATOM 117 O PRO A 10 -9.190 10.230 -1.361 1.00 0.00 O ATOM 118 CB PRO A 10 -11.913 12.229 -1.217 1.00 0.00 C ATOM 119 CG PRO A 10 -11.014 13.446 -1.398 1.00 0.00 C ATOM 120 CD PRO A 10 -10.317 13.554 -0.044 1.00 0.00 C ATOM 0 HA PRO A 10 -11.739 10.770 0.387 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.138 11.751 -2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.867 12.499 -0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.301 13.305 -2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.589 14.343 -1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.343 14.034 -0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.902 14.157 0.651 1.00 0.00 H new ATOM 128 N ILE A 11 -11.165 9.134 -1.385 1.00 0.00 N ATOM 129 CA ILE A 11 -10.678 7.845 -1.901 1.00 0.00 C ATOM 130 C ILE A 11 -9.915 7.953 -3.238 1.00 0.00 C ATOM 131 O ILE A 11 -8.970 7.198 -3.477 1.00 0.00 O ATOM 132 CB ILE A 11 -11.861 6.850 -1.969 1.00 0.00 C ATOM 133 CG1 ILE A 11 -11.425 5.389 -2.204 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.888 7.229 -3.048 1.00 0.00 C ATOM 135 CD1 ILE A 11 -10.751 4.770 -0.973 1.00 0.00 C ATOM 0 H ILE A 11 -12.180 9.162 -1.285 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.930 7.468 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.322 6.920 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.296 4.793 -2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.737 5.350 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.697 6.498 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.294 8.218 -2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.403 7.240 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.464 3.742 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.863 5.347 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.446 4.781 -0.134 1.00 0.00 H new ATOM 147 N ASP A 12 -10.269 8.914 -4.094 1.00 0.00 N ATOM 148 CA ASP A 12 -9.596 9.155 -5.378 1.00 0.00 C ATOM 149 C ASP A 12 -8.198 9.783 -5.218 1.00 0.00 C ATOM 150 O ASP A 12 -7.313 9.512 -6.030 1.00 0.00 O ATOM 151 CB ASP A 12 -10.473 10.005 -6.316 1.00 0.00 C ATOM 152 CG ASP A 12 -10.920 11.389 -5.798 1.00 0.00 C ATOM 153 OD1 ASP A 12 -10.879 11.659 -4.574 1.00 0.00 O ATOM 154 OD2 ASP A 12 -11.359 12.217 -6.635 1.00 0.00 O1- ATOM 0 H ASP A 12 -11.041 9.556 -3.915 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.448 8.175 -5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.927 10.153 -7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.367 9.429 -6.558 1.00 0.00 H new ATOM 159 N GLU A 13 -7.947 10.574 -4.169 1.00 0.00 N ATOM 160 CA GLU A 13 -6.629 11.175 -3.903 1.00 0.00 C ATOM 161 C GLU A 13 -5.615 10.129 -3.424 1.00 0.00 C ATOM 162 O GLU A 13 -4.548 9.982 -4.025 1.00 0.00 O ATOM 163 CB GLU A 13 -6.752 12.322 -2.882 1.00 0.00 C ATOM 164 CG GLU A 13 -7.539 13.533 -3.416 1.00 0.00 C ATOM 165 CD GLU A 13 -6.902 14.215 -4.645 1.00 0.00 C ATOM 166 OE1 GLU A 13 -5.655 14.198 -4.801 1.00 0.00 O ATOM 167 OE2 GLU A 13 -7.651 14.807 -5.461 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.654 10.818 -3.475 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.258 11.584 -4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.241 11.948 -1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.754 12.647 -2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.547 13.210 -3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.637 14.268 -2.617 1.00 0.00 H new ATOM 174 N LEU A 14 -5.950 9.342 -2.394 1.00 0.00 N ATOM 175 CA LEU A 14 -5.055 8.287 -1.894 1.00 0.00 C ATOM 176 C LEU A 14 -4.845 7.151 -2.924 1.00 0.00 C ATOM 177 O LEU A 14 -3.750 6.590 -3.016 1.00 0.00 O ATOM 178 CB LEU A 14 -5.533 7.781 -0.521 1.00 0.00 C ATOM 179 CG LEU A 14 -6.909 7.094 -0.504 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.744 5.577 -0.483 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.708 7.515 0.724 1.00 0.00 C ATOM 0 H LEU A 14 -6.834 9.415 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.066 8.723 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.793 7.080 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.561 8.626 0.167 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.443 7.396 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.726 5.104 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.198 5.258 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.189 5.284 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.678 7.017 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.164 7.234 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.855 8.595 0.710 1.00 0.00 H new ATOM 193 N SER A 15 -5.859 6.874 -3.750 1.00 0.00 N ATOM 194 CA SER A 15 -5.751 5.996 -4.923 1.00 0.00 C ATOM 195 C SER A 15 -4.763 6.549 -5.961 1.00 0.00 C ATOM 196 O SER A 15 -3.836 5.848 -6.373 1.00 0.00 O ATOM 197 CB SER A 15 -7.136 5.810 -5.558 1.00 0.00 C ATOM 198 OG SER A 15 -7.062 5.101 -6.781 1.00 0.00 O ATOM 0 H SER A 15 -6.795 7.260 -3.621 1.00 0.00 H new ATOM 0 HA SER A 15 -5.368 5.032 -4.588 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.784 5.273 -4.865 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.591 6.785 -5.730 1.00 0.00 H new ATOM 0 HG SER A 15 -7.962 5.000 -7.156 1.00 0.00 H new ATOM 204 N ALA A 16 -4.882 7.823 -6.351 1.00 0.00 N ATOM 205 CA ALA A 16 -3.946 8.453 -7.285 1.00 0.00 C ATOM 206 C ALA A 16 -2.505 8.492 -6.741 1.00 0.00 C ATOM 207 O ALA A 16 -1.557 8.369 -7.522 1.00 0.00 O ATOM 208 CB ALA A 16 -4.458 9.855 -7.636 1.00 0.00 C ATOM 0 H ALA A 16 -5.626 8.442 -6.029 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.901 7.848 -8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.767 10.331 -8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.442 9.778 -8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.530 10.454 -6.728 1.00 0.00 H new ATOM 214 N LEU A 17 -2.321 8.610 -5.423 1.00 0.00 N ATOM 215 CA LEU A 17 -1.016 8.516 -4.760 1.00 0.00 C ATOM 216 C LEU A 17 -0.407 7.106 -4.893 1.00 0.00 C ATOM 217 O LEU A 17 0.718 6.996 -5.383 1.00 0.00 O ATOM 218 CB LEU A 17 -1.130 8.972 -3.288 1.00 0.00 C ATOM 219 CG LEU A 17 -0.695 10.432 -3.046 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.458 11.469 -3.874 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.886 10.782 -1.566 1.00 0.00 C ATOM 0 H LEU A 17 -3.090 8.777 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.325 9.191 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.163 8.853 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.521 8.315 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 17 0.349 10.479 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.087 12.467 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.311 11.267 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.521 11.413 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.579 11.814 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.936 10.666 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.279 10.116 -0.953 1.00 0.00 H new ATOM 233 N LEU A 18 -1.106 6.024 -4.535 1.00 0.00 N ATOM 234 CA LEU A 18 -0.528 4.670 -4.662 1.00 0.00 C ATOM 235 C LEU A 18 -0.304 4.253 -6.126 1.00 0.00 C ATOM 236 O LEU A 18 0.679 3.570 -6.423 1.00 0.00 O ATOM 237 CB LEU A 18 -1.329 3.645 -3.832 1.00 0.00 C ATOM 238 CG LEU A 18 -2.723 3.258 -4.360 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.707 2.066 -5.319 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.623 2.873 -3.195 1.00 0.00 C ATOM 0 H LEU A 18 -2.055 6.050 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 18 0.474 4.695 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.733 2.736 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.446 4.042 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.086 4.133 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.723 1.851 -5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.087 2.303 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.300 1.194 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.609 2.600 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.189 2.025 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.717 3.718 -2.513 1.00 0.00 H new ATOM 252 N ARG A 19 -1.152 4.714 -7.055 1.00 0.00 N ATOM 253 CA ARG A 19 -0.984 4.496 -8.500 1.00 0.00 C ATOM 254 C ARG A 19 0.283 5.178 -9.023 1.00 0.00 C ATOM 255 O ARG A 19 1.119 4.503 -9.622 1.00 0.00 O ATOM 256 CB ARG A 19 -2.248 4.965 -9.242 1.00 0.00 C ATOM 257 CG ARG A 19 -3.441 4.024 -9.005 1.00 0.00 C ATOM 258 CD ARG A 19 -4.791 4.686 -9.303 1.00 0.00 C ATOM 259 NE ARG A 19 -4.919 5.111 -10.707 1.00 0.00 N ATOM 260 CZ ARG A 19 -5.677 6.088 -11.170 1.00 0.00 C ATOM 261 NH1 ARG A 19 -6.452 6.796 -10.389 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -5.673 6.392 -12.434 1.00 0.00 N ATOM 0 H ARG A 19 -1.984 5.256 -6.822 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.856 3.430 -8.688 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.509 5.971 -8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.040 5.024 -10.310 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.330 3.139 -9.632 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.429 3.684 -7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.594 3.988 -9.065 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.918 5.552 -8.653 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.365 4.598 -11.393 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.484 6.600 -9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.025 7.544 -10.781 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.079 5.873 -13.081 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.263 7.149 -12.778 1.00 0.00 H new ATOM 276 N GLN A 20 0.483 6.476 -8.751 1.00 0.00 N ATOM 277 CA GLN A 20 1.677 7.199 -9.214 1.00 0.00 C ATOM 278 C GLN A 20 2.969 6.774 -8.477 1.00 0.00 C ATOM 279 O GLN A 20 4.044 6.832 -9.074 1.00 0.00 O ATOM 280 CB GLN A 20 1.439 8.722 -9.191 1.00 0.00 C ATOM 281 CG GLN A 20 1.601 9.390 -7.815 1.00 0.00 C ATOM 282 CD GLN A 20 1.033 10.809 -7.787 1.00 0.00 C ATOM 283 OE1 GLN A 20 1.749 11.801 -7.718 1.00 0.00 O ATOM 284 NE2 GLN A 20 -0.273 10.959 -7.854 1.00 0.00 N ATOM 0 H GLN A 20 -0.168 7.047 -8.212 1.00 0.00 H new ATOM 0 HA GLN A 20 1.846 6.914 -10.252 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.132 9.192 -9.889 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.432 8.922 -9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.099 8.786 -7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.658 9.419 -7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.878 10.140 -7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.680 11.894 -7.848 1.00 0.00 H new ATOM 293 N GLU A 21 2.889 6.289 -7.231 1.00 0.00 N ATOM 294 CA GLU A 21 4.034 5.684 -6.530 1.00 0.00 C ATOM 295 C GLU A 21 4.462 4.339 -7.151 1.00 0.00 C ATOM 296 O GLU A 21 5.656 4.030 -7.169 1.00 0.00 O ATOM 297 CB GLU A 21 3.736 5.516 -5.030 1.00 0.00 C ATOM 298 CG GLU A 21 3.762 6.835 -4.231 1.00 0.00 C ATOM 299 CD GLU A 21 5.160 7.457 -4.041 1.00 0.00 C ATOM 300 OE1 GLU A 21 5.240 8.495 -3.338 1.00 0.00 O ATOM 301 OE2 GLU A 21 6.170 6.943 -4.582 1.00 0.00 O1- ATOM 0 H GLU A 21 2.031 6.304 -6.679 1.00 0.00 H new ATOM 0 HA GLU A 21 4.871 6.372 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.756 5.053 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.465 4.829 -4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.124 7.560 -4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.325 6.655 -3.249 1.00 0.00 H new ATOM 308 N MET A 22 3.526 3.566 -7.719 1.00 0.00 N ATOM 309 CA MET A 22 3.819 2.412 -8.586 1.00 0.00 C ATOM 310 C MET A 22 4.202 2.800 -10.034 1.00 0.00 C ATOM 311 O MET A 22 4.563 1.930 -10.833 1.00 0.00 O ATOM 312 CB MET A 22 2.610 1.457 -8.594 1.00 0.00 C ATOM 313 CG MET A 22 2.521 0.659 -7.294 1.00 0.00 C ATOM 314 SD MET A 22 1.199 -0.583 -7.275 1.00 0.00 S ATOM 315 CE MET A 22 -0.236 0.481 -6.988 1.00 0.00 C ATOM 0 H MET A 22 2.527 3.726 -7.588 1.00 0.00 H new ATOM 0 HA MET A 22 4.696 1.918 -8.166 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.693 2.030 -8.735 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.691 0.772 -9.438 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.475 0.161 -7.120 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.367 1.351 -6.466 1.00 0.00 H new ATOM 0 HE1 MET A 22 -1.132 -0.004 -7.376 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.352 0.655 -5.918 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.090 1.434 -7.497 1.00 0.00 H new ATOM 325 N GLY A 23 4.129 4.089 -10.389 1.00 0.00 N ATOM 326 CA GLY A 23 4.348 4.601 -11.754 1.00 0.00 C ATOM 327 C GLY A 23 3.231 4.256 -12.753 1.00 0.00 C ATOM 328 O GLY A 23 3.437 4.332 -13.966 1.00 0.00 O ATOM 0 H GLY A 23 3.910 4.827 -9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.455 5.685 -11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.290 4.203 -12.131 1.00 0.00 H new ATOM 420 N MET A 34 -16.845 -4.838 -3.908 1.00 0.00 N ATOM 421 CA MET A 34 -16.036 -5.687 -3.030 1.00 0.00 C ATOM 422 C MET A 34 -14.858 -6.358 -3.767 1.00 0.00 C ATOM 423 O MET A 34 -13.835 -6.669 -3.156 1.00 0.00 O ATOM 424 CB MET A 34 -16.949 -6.728 -2.364 1.00 0.00 C ATOM 425 CG MET A 34 -16.401 -7.151 -0.994 1.00 0.00 C ATOM 426 SD MET A 34 -16.510 -5.855 0.273 1.00 0.00 S ATOM 427 CE MET A 34 -15.348 -6.525 1.482 1.00 0.00 C ATOM 0 HA MET A 34 -15.582 -5.055 -2.267 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.951 -6.315 -2.246 1.00 0.00 H new ATOM 0 HB3 MET A 34 -17.039 -7.602 -3.009 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.948 -8.029 -0.650 1.00 0.00 H new ATOM 0 HG3 MET A 34 -15.359 -7.449 -1.107 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.178 -5.790 2.269 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.761 -7.435 1.918 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.403 -6.755 0.990 1.00 0.00 H new ATOM 437 N GLN A 35 -14.961 -6.531 -5.092 1.00 0.00 N ATOM 438 CA GLN A 35 -13.859 -6.999 -5.946 1.00 0.00 C ATOM 439 C GLN A 35 -12.887 -5.873 -6.352 1.00 0.00 C ATOM 440 O GLN A 35 -11.725 -6.151 -6.655 1.00 0.00 O ATOM 441 CB GLN A 35 -14.440 -7.700 -7.188 1.00 0.00 C ATOM 442 CG GLN A 35 -15.266 -8.941 -6.802 1.00 0.00 C ATOM 443 CD GLN A 35 -15.734 -9.778 -7.990 1.00 0.00 C ATOM 444 OE1 GLN A 35 -15.495 -9.486 -9.157 1.00 0.00 O ATOM 445 NE2 GLN A 35 -16.429 -10.870 -7.738 1.00 0.00 N ATOM 0 H GLN A 35 -15.822 -6.348 -5.608 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.268 -7.706 -5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.068 -7.001 -7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.629 -7.994 -7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.668 -9.570 -6.142 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.138 -8.620 -6.233 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.638 -11.130 -6.774 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.757 -11.454 -8.507 1.00 0.00 H new ATOM 454 N ASP A 36 -13.308 -4.606 -6.341 1.00 0.00 N ATOM 455 CA ASP A 36 -12.436 -3.458 -6.652 1.00 0.00 C ATOM 456 C ASP A 36 -11.462 -3.164 -5.499 1.00 0.00 C ATOM 457 O ASP A 36 -10.264 -2.992 -5.724 1.00 0.00 O ATOM 458 CB ASP A 36 -13.260 -2.199 -6.975 1.00 0.00 C ATOM 459 CG ASP A 36 -14.239 -2.343 -8.151 1.00 0.00 C ATOM 460 OD1 ASP A 36 -15.231 -1.576 -8.186 1.00 0.00 O ATOM 461 OD2 ASP A 36 -14.016 -3.185 -9.054 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.267 -4.341 -6.116 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.856 -3.729 -7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.824 -1.915 -6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.574 -1.381 -7.192 1.00 0.00 H new ATOM 466 N ILE A 37 -11.963 -3.175 -4.256 1.00 0.00 N ATOM 467 CA ILE A 37 -11.146 -3.025 -3.041 1.00 0.00 C ATOM 468 C ILE A 37 -10.098 -4.144 -2.907 1.00 0.00 C ATOM 469 O ILE A 37 -8.952 -3.841 -2.581 1.00 0.00 O ATOM 470 CB ILE A 37 -12.034 -2.877 -1.779 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.175 -2.675 -0.507 1.00 0.00 C ATOM 472 CG2 ILE A 37 -13.018 -4.042 -1.595 1.00 0.00 C ATOM 473 CD1 ILE A 37 -11.993 -2.380 0.753 1.00 0.00 C ATOM 0 H ILE A 37 -12.958 -3.290 -4.062 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.581 -2.098 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.636 -1.982 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.577 -3.570 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.479 -1.854 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.610 -3.879 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.680 -4.099 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.463 -4.975 -1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.321 -2.251 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.571 -1.468 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.670 -3.211 0.950 1.00 0.00 H new ATOM 485 N GLN A 38 -10.444 -5.400 -3.225 1.00 0.00 N ATOM 486 CA GLN A 38 -9.476 -6.511 -3.245 1.00 0.00 C ATOM 487 C GLN A 38 -8.292 -6.209 -4.172 1.00 0.00 C ATOM 488 O GLN A 38 -7.143 -6.256 -3.736 1.00 0.00 O ATOM 489 CB GLN A 38 -10.148 -7.822 -3.692 1.00 0.00 C ATOM 490 CG GLN A 38 -10.926 -8.555 -2.595 1.00 0.00 C ATOM 491 CD GLN A 38 -11.573 -9.826 -3.150 1.00 0.00 C ATOM 492 OE1 GLN A 38 -12.766 -9.896 -3.404 1.00 0.00 O ATOM 493 NE2 GLN A 38 -10.813 -10.878 -3.392 1.00 0.00 N ATOM 0 H GLN A 38 -11.394 -5.675 -3.474 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.105 -6.626 -2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.828 -7.602 -4.515 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.381 -8.491 -4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.255 -8.811 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.694 -7.899 -2.186 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.814 -10.843 -3.188 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.225 -11.725 -3.783 1.00 0.00 H new ATOM 502 N GLN A 39 -8.562 -5.860 -5.436 1.00 0.00 N ATOM 503 CA GLN A 39 -7.526 -5.600 -6.444 1.00 0.00 C ATOM 504 C GLN A 39 -6.669 -4.375 -6.092 1.00 0.00 C ATOM 505 O GLN A 39 -5.440 -4.452 -6.134 1.00 0.00 O ATOM 506 CB GLN A 39 -8.178 -5.426 -7.827 1.00 0.00 C ATOM 507 CG GLN A 39 -8.762 -6.738 -8.362 1.00 0.00 C ATOM 508 CD GLN A 39 -9.630 -6.505 -9.597 1.00 0.00 C ATOM 509 OE1 GLN A 39 -9.179 -6.603 -10.733 1.00 0.00 O ATOM 510 NE2 GLN A 39 -10.891 -6.182 -9.426 1.00 0.00 N ATOM 0 H GLN A 39 -9.512 -5.749 -5.791 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.857 -6.460 -6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.968 -4.678 -7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.437 -5.047 -8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.951 -7.423 -8.610 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.357 -7.216 -7.584 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.273 -6.099 -8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.489 -6.014 -10.235 1.00 0.00 H new ATOM 519 N LEU A 40 -7.293 -3.250 -5.724 1.00 0.00 N ATOM 520 CA LEU A 40 -6.584 -1.996 -5.460 1.00 0.00 C ATOM 521 C LEU A 40 -5.706 -2.070 -4.192 1.00 0.00 C ATOM 522 O LEU A 40 -4.578 -1.568 -4.186 1.00 0.00 O ATOM 523 CB LEU A 40 -7.630 -0.867 -5.403 1.00 0.00 C ATOM 524 CG LEU A 40 -7.047 0.558 -5.410 1.00 0.00 C ATOM 525 CD1 LEU A 40 -6.243 0.856 -6.675 1.00 0.00 C ATOM 526 CD2 LEU A 40 -8.191 1.570 -5.351 1.00 0.00 C ATOM 0 H LEU A 40 -8.304 -3.185 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.878 -1.793 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.304 -0.972 -6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.231 -0.994 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.386 0.633 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.855 1.873 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.413 0.154 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.887 0.753 -7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.783 2.581 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.840 1.436 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.767 1.415 -4.439 1.00 0.00 H new ATOM 538 N LEU A 41 -6.192 -2.739 -3.140 1.00 0.00 N ATOM 539 CA LEU A 41 -5.436 -2.972 -1.899 1.00 0.00 C ATOM 540 C LEU A 41 -4.329 -4.032 -2.078 1.00 0.00 C ATOM 541 O LEU A 41 -3.243 -3.880 -1.513 1.00 0.00 O ATOM 542 CB LEU A 41 -6.442 -3.320 -0.787 1.00 0.00 C ATOM 543 CG LEU A 41 -5.904 -3.327 0.651 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.312 -1.980 1.067 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.045 -3.611 1.626 1.00 0.00 C ATOM 0 H LEU A 41 -7.130 -3.139 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.897 -2.068 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.266 -2.608 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.857 -4.305 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.128 -4.092 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.947 -2.044 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.486 -1.725 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.080 -1.209 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.660 -3.615 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.807 -2.838 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.483 -4.583 1.400 1.00 0.00 H new ATOM 557 N ALA A 42 -4.542 -5.054 -2.916 1.00 0.00 N ATOM 558 CA ALA A 42 -3.512 -6.035 -3.280 1.00 0.00 C ATOM 559 C ALA A 42 -2.357 -5.418 -4.094 1.00 0.00 C ATOM 560 O ALA A 42 -1.200 -5.763 -3.856 1.00 0.00 O ATOM 561 CB ALA A 42 -4.159 -7.191 -4.054 1.00 0.00 C ATOM 0 H ALA A 42 -5.442 -5.225 -3.364 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.071 -6.406 -2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.395 -7.920 -4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.913 -7.670 -3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.629 -6.805 -4.958 1.00 0.00 H new ATOM 567 N LYS A 43 -2.627 -4.481 -5.021 1.00 0.00 N ATOM 568 CA LYS A 43 -1.574 -3.736 -5.745 1.00 0.00 C ATOM 569 C LYS A 43 -0.708 -2.901 -4.793 1.00 0.00 C ATOM 570 O LYS A 43 0.520 -2.993 -4.860 1.00 0.00 O ATOM 571 CB LYS A 43 -2.189 -2.867 -6.854 1.00 0.00 C ATOM 572 CG LYS A 43 -2.687 -3.698 -8.048 1.00 0.00 C ATOM 573 CD LYS A 43 -3.330 -2.838 -9.148 1.00 0.00 C ATOM 574 CE LYS A 43 -2.311 -1.954 -9.875 1.00 0.00 C ATOM 575 NZ LYS A 43 -2.940 -1.228 -11.006 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.575 -4.218 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.914 -4.466 -6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.020 -2.294 -6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.447 -2.148 -7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.851 -4.254 -8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.413 -4.431 -7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.823 -3.488 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.103 -2.208 -8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.881 -1.238 -9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.491 -2.569 -10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.226 -0.638 -11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.328 -1.913 -11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.707 -0.624 -10.647 1.00 0.00 H new ATOM 589 N SER A 44 -1.326 -2.177 -3.856 1.00 0.00 N ATOM 590 CA SER A 44 -0.604 -1.446 -2.801 1.00 0.00 C ATOM 591 C SER A 44 0.283 -2.369 -1.946 1.00 0.00 C ATOM 592 O SER A 44 1.475 -2.103 -1.765 1.00 0.00 O ATOM 593 CB SER A 44 -1.614 -0.692 -1.930 1.00 0.00 C ATOM 594 OG SER A 44 -0.947 0.170 -1.027 1.00 0.00 O ATOM 0 H SER A 44 -2.340 -2.079 -3.804 1.00 0.00 H new ATOM 0 HA SER A 44 0.070 -0.736 -3.280 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.288 -0.114 -2.562 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.228 -1.403 -1.377 1.00 0.00 H new ATOM 0 HG SER A 44 -1.442 0.205 -0.182 1.00 0.00 H new ATOM 600 N LEU A 45 -0.246 -3.520 -1.504 1.00 0.00 N ATOM 601 CA LEU A 45 0.509 -4.545 -0.763 1.00 0.00 C ATOM 602 C LEU A 45 1.669 -5.144 -1.581 1.00 0.00 C ATOM 603 O LEU A 45 2.781 -5.296 -1.068 1.00 0.00 O ATOM 604 CB LEU A 45 -0.500 -5.586 -0.235 1.00 0.00 C ATOM 605 CG LEU A 45 0.003 -6.801 0.569 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.474 -7.949 -0.324 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.096 -6.464 1.585 1.00 0.00 C ATOM 0 H LEU A 45 -1.224 -3.770 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 45 1.018 -4.093 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.217 -5.055 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.051 -5.970 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.876 -7.126 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.817 -8.776 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.352 -8.284 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.293 -7.606 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.397 -7.371 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.957 -6.042 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.714 -5.739 2.303 1.00 0.00 H new ATOM 619 N THR A 46 1.458 -5.433 -2.868 1.00 0.00 N ATOM 620 CA THR A 46 2.498 -5.997 -3.746 1.00 0.00 C ATOM 621 C THR A 46 3.695 -5.048 -3.891 1.00 0.00 C ATOM 622 O THR A 46 4.838 -5.503 -3.879 1.00 0.00 O ATOM 623 CB THR A 46 1.923 -6.348 -5.132 1.00 0.00 C ATOM 624 OG1 THR A 46 0.922 -7.343 -5.006 1.00 0.00 O ATOM 625 CG2 THR A 46 2.964 -6.909 -6.103 1.00 0.00 C ATOM 0 H THR A 46 0.563 -5.284 -3.335 1.00 0.00 H new ATOM 0 HA THR A 46 2.852 -6.914 -3.274 1.00 0.00 H new ATOM 0 HB THR A 46 1.535 -5.409 -5.527 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.115 -6.947 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.488 -7.133 -7.057 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.753 -6.173 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.394 -7.821 -5.689 1.00 0.00 H new ATOM 633 N GLU A 47 3.474 -3.732 -3.955 1.00 0.00 N ATOM 634 CA GLU A 47 4.556 -2.742 -4.057 1.00 0.00 C ATOM 635 C GLU A 47 5.436 -2.675 -2.796 1.00 0.00 C ATOM 636 O GLU A 47 6.654 -2.534 -2.911 1.00 0.00 O ATOM 637 CB GLU A 47 3.951 -1.373 -4.406 1.00 0.00 C ATOM 638 CG GLU A 47 4.969 -0.243 -4.649 1.00 0.00 C ATOM 639 CD GLU A 47 5.893 -0.448 -5.864 1.00 0.00 C ATOM 640 OE1 GLU A 47 6.777 0.404 -6.101 1.00 0.00 O ATOM 641 OE2 GLU A 47 5.760 -1.442 -6.617 1.00 0.00 O1- ATOM 0 H GLU A 47 2.541 -3.320 -3.938 1.00 0.00 H new ATOM 0 HA GLU A 47 5.229 -3.057 -4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.336 -1.484 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.286 -1.072 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.426 0.693 -4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.586 -0.132 -3.757 1.00 0.00 H new ATOM 648 N ILE A 48 4.858 -2.861 -1.599 1.00 0.00 N ATOM 649 CA ILE A 48 5.610 -2.977 -0.333 1.00 0.00 C ATOM 650 C ILE A 48 6.593 -4.152 -0.423 1.00 0.00 C ATOM 651 O ILE A 48 7.792 -3.996 -0.169 1.00 0.00 O ATOM 652 CB ILE A 48 4.666 -3.154 0.886 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.710 -1.958 1.061 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.473 -3.392 2.181 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.529 -2.264 1.996 1.00 0.00 C ATOM 0 H ILE A 48 3.848 -2.936 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 48 6.162 -2.049 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 48 4.055 -4.035 0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.268 -1.109 1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.326 -1.661 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.788 -3.513 3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.077 -4.293 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.125 -2.538 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.892 -1.383 2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.950 -3.094 1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.906 -2.533 2.983 1.00 0.00 H new ATOM 667 N LYS A 49 6.096 -5.328 -0.827 1.00 0.00 N ATOM 668 CA LYS A 49 6.887 -6.557 -0.972 1.00 0.00 C ATOM 669 C LYS A 49 7.964 -6.441 -2.057 1.00 0.00 C ATOM 670 O LYS A 49 9.087 -6.899 -1.836 1.00 0.00 O ATOM 671 CB LYS A 49 5.948 -7.745 -1.247 1.00 0.00 C ATOM 672 CG LYS A 49 5.117 -8.085 -0.002 1.00 0.00 C ATOM 673 CD LYS A 49 4.207 -9.292 -0.276 1.00 0.00 C ATOM 674 CE LYS A 49 3.380 -9.687 0.954 1.00 0.00 C ATOM 675 NZ LYS A 49 4.215 -10.264 2.046 1.00 0.00 N1+ ATOM 0 H LYS A 49 5.113 -5.454 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 49 7.418 -6.724 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.284 -7.505 -2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.533 -8.614 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.779 -8.304 0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.513 -7.224 0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.536 -9.058 -1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.816 -10.140 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.853 -8.810 1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.622 -10.413 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.607 -10.785 2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.919 -10.913 1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.703 -9.497 2.552 1.00 0.00 H new ATOM 689 N ARG A 50 7.668 -5.775 -3.181 1.00 0.00 N ATOM 690 CA ARG A 50 8.624 -5.524 -4.280 1.00 0.00 C ATOM 691 C ARG A 50 9.843 -4.722 -3.813 1.00 0.00 C ATOM 692 O ARG A 50 10.979 -5.092 -4.117 1.00 0.00 O ATOM 693 CB ARG A 50 7.905 -4.824 -5.446 1.00 0.00 C ATOM 694 CG ARG A 50 8.736 -4.852 -6.740 1.00 0.00 C ATOM 695 CD ARG A 50 8.058 -4.073 -7.877 1.00 0.00 C ATOM 696 NE ARG A 50 8.085 -2.615 -7.643 1.00 0.00 N ATOM 697 CZ ARG A 50 9.059 -1.769 -7.905 1.00 0.00 C ATOM 698 NH1 ARG A 50 10.179 -2.136 -8.463 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 8.931 -0.509 -7.596 1.00 0.00 N ATOM 0 H ARG A 50 6.742 -5.386 -3.360 1.00 0.00 H new ATOM 0 HA ARG A 50 9.003 -6.486 -4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.945 -5.309 -5.622 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.695 -3.790 -5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.721 -4.428 -6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.889 -5.886 -7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.558 -4.298 -8.819 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.025 -4.405 -7.978 1.00 0.00 H new ATOM 0 HE ARG A 50 7.245 -2.214 -7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.327 -3.113 -8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.907 -1.446 -8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.075 -0.177 -7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.687 0.145 -7.800 1.00 0.00 H new ATOM 713 N LEU A 51 9.626 -3.666 -3.023 1.00 0.00 N ATOM 714 CA LEU A 51 10.692 -2.871 -2.402 1.00 0.00 C ATOM 715 C LEU A 51 11.470 -3.681 -1.357 1.00 0.00 C ATOM 716 O LEU A 51 12.699 -3.711 -1.409 1.00 0.00 O ATOM 717 CB LEU A 51 10.096 -1.587 -1.770 1.00 0.00 C ATOM 718 CG LEU A 51 10.115 -0.327 -2.657 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.550 0.171 -2.889 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.439 -0.530 -4.016 1.00 0.00 C ATOM 0 H LEU A 51 8.690 -3.333 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 51 11.399 -2.588 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.064 -1.791 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.643 -1.370 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 51 9.543 0.419 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.529 1.061 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.010 0.415 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.130 -0.609 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.488 0.396 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.951 -1.322 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.396 -0.808 -3.866 1.00 0.00 H new ATOM 732 N LYS A 52 10.782 -4.346 -0.422 1.00 0.00 N ATOM 733 CA LYS A 52 11.427 -5.102 0.670 1.00 0.00 C ATOM 734 C LYS A 52 12.277 -6.275 0.185 1.00 0.00 C ATOM 735 O LYS A 52 13.361 -6.491 0.723 1.00 0.00 O ATOM 736 CB LYS A 52 10.375 -5.584 1.675 1.00 0.00 C ATOM 737 CG LYS A 52 9.886 -4.420 2.551 1.00 0.00 C ATOM 738 CD LYS A 52 8.894 -4.912 3.602 1.00 0.00 C ATOM 739 CE LYS A 52 8.354 -3.725 4.411 1.00 0.00 C ATOM 740 NZ LYS A 52 7.453 -4.176 5.493 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.763 -4.378 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 52 12.114 -4.410 1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.532 -6.024 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.798 -6.367 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.736 -3.945 3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.414 -3.662 1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.071 -5.438 3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.381 -5.625 4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.186 -3.165 4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.818 -3.045 3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.817 -3.399 5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.890 -4.985 5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.018 -4.462 6.318 1.00 0.00 H new ATOM 754 N ALA A 53 11.841 -6.995 -0.852 1.00 0.00 N ATOM 755 CA ALA A 53 12.595 -8.110 -1.434 1.00 0.00 C ATOM 756 C ALA A 53 13.953 -7.651 -2.004 1.00 0.00 C ATOM 757 O ALA A 53 14.984 -8.277 -1.745 1.00 0.00 O ATOM 758 CB ALA A 53 11.732 -8.772 -2.516 1.00 0.00 C ATOM 0 H ALA A 53 10.949 -6.820 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 53 12.822 -8.834 -0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.279 -9.604 -2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.809 -9.141 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.494 -8.041 -3.289 1.00 0.00 H new ATOM 764 N ALA A 54 13.974 -6.530 -2.733 1.00 0.00 N ATOM 765 CA ALA A 54 15.203 -5.923 -3.253 1.00 0.00 C ATOM 766 C ALA A 54 16.096 -5.361 -2.128 1.00 0.00 C ATOM 767 O ALA A 54 17.288 -5.669 -2.067 1.00 0.00 O ATOM 768 CB ALA A 54 14.823 -4.834 -4.264 1.00 0.00 C ATOM 0 H ALA A 54 13.130 -6.014 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 54 15.794 -6.693 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.728 -4.373 -4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.255 -5.278 -5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.215 -4.075 -3.771 1.00 0.00 H new ATOM 774 N ASN A 55 15.507 -4.596 -1.201 1.00 0.00 N ATOM 775 CA ASN A 55 16.196 -3.958 -0.074 1.00 0.00 C ATOM 776 C ASN A 55 16.885 -4.999 0.837 1.00 0.00 C ATOM 777 O ASN A 55 18.079 -4.892 1.117 1.00 0.00 O ATOM 778 CB ASN A 55 15.151 -3.095 0.667 1.00 0.00 C ATOM 779 CG ASN A 55 15.719 -2.177 1.744 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.719 -2.450 2.391 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.073 -1.061 1.995 1.00 0.00 N ATOM 0 H ASN A 55 14.506 -4.398 -1.216 1.00 0.00 H new ATOM 0 HA ASN A 55 17.008 -3.320 -0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.620 -2.486 -0.065 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.415 -3.756 1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.407 -0.431 2.724 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.237 -0.824 1.460 1.00 0.00 H new ATOM 1054 N PRO B 110 -8.957 -13.659 -0.983 1.00 0.00 N ATOM 1055 CA PRO B 110 -9.986 -12.825 -0.360 1.00 0.00 C ATOM 1056 C PRO B 110 -9.402 -11.660 0.461 1.00 0.00 C ATOM 1057 O PRO B 110 -8.232 -11.661 0.846 1.00 0.00 O ATOM 1058 CB PRO B 110 -10.820 -13.778 0.505 1.00 0.00 C ATOM 1059 CG PRO B 110 -9.826 -14.877 0.866 1.00 0.00 C ATOM 1060 CD PRO B 110 -8.985 -15.001 -0.401 1.00 0.00 C ATOM 0 HA PRO B 110 -10.595 -12.333 -1.119 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.210 -13.280 1.393 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -11.677 -14.173 -0.041 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.219 -14.606 1.730 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.329 -15.813 1.111 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -7.978 -15.351 -0.171 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -9.422 -15.720 -1.094 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.252 -10.664 0.755 1.00 0.00 N ATOM 1069 CA ILE B 111 -9.842 -9.423 1.435 1.00 0.00 C ATOM 1070 C ILE B 111 -9.257 -9.665 2.834 1.00 0.00 C ATOM 1071 O ILE B 111 -8.355 -8.940 3.250 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.002 -8.409 1.448 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.491 -7.034 1.928 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.201 -8.883 2.289 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -11.371 -5.877 1.473 1.00 0.00 C ATOM 0 H ILE B 111 -11.246 -10.696 0.528 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.023 -8.993 0.858 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.369 -8.318 0.426 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.435 -7.034 3.017 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -9.478 -6.880 1.557 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -12.987 -8.128 2.261 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.583 -9.819 1.883 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -11.884 -9.038 3.320 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -10.958 -4.938 1.843 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -11.407 -5.854 0.384 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.379 -6.010 1.866 1.00 0.00 H new ATOM 1087 N ASP B 112 -9.707 -10.708 3.537 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.184 -11.076 4.860 1.00 0.00 C ATOM 1089 C ASP B 112 -7.694 -11.462 4.806 1.00 0.00 C ATOM 1090 O ASP B 112 -6.939 -11.136 5.720 1.00 0.00 O ATOM 1091 CB ASP B 112 -9.995 -12.238 5.450 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.496 -11.963 5.662 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -11.927 -10.788 5.723 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -12.263 -12.943 5.796 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.448 -11.325 3.205 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.280 -10.198 5.499 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -9.892 -13.101 4.792 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -9.556 -12.514 6.409 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.247 -12.116 3.726 1.00 0.00 N ATOM 1100 CA GLU B 113 -5.847 -12.523 3.541 1.00 0.00 C ATOM 1101 C GLU B 113 -4.944 -11.330 3.185 1.00 0.00 C ATOM 1102 O GLU B 113 -3.936 -11.110 3.851 1.00 0.00 O ATOM 1103 CB GLU B 113 -5.739 -13.627 2.474 1.00 0.00 C ATOM 1104 CG GLU B 113 -6.393 -14.958 2.891 1.00 0.00 C ATOM 1105 CD GLU B 113 -5.761 -15.613 4.136 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -4.518 -15.554 4.316 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -6.503 -16.231 4.936 1.00 0.00 O1- ATOM 0 H GLU B 113 -7.852 -12.380 2.949 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.495 -12.922 4.492 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.205 -13.277 1.553 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -4.687 -13.803 2.252 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -7.452 -14.784 3.084 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -6.332 -15.657 2.057 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.300 -10.524 2.180 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.483 -9.363 1.785 1.00 0.00 C ATOM 1116 C LEU B 114 -4.455 -8.255 2.864 1.00 0.00 C ATOM 1117 O LEU B 114 -3.412 -7.628 3.064 1.00 0.00 O ATOM 1118 CB LEU B 114 -4.897 -8.864 0.389 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.342 -8.350 0.270 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.401 -6.832 0.380 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -6.963 -8.754 -1.065 1.00 0.00 C ATOM 0 H LEU B 114 -6.146 -10.650 1.624 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.445 -9.688 1.709 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.220 -8.063 0.093 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -4.759 -9.677 -0.324 1.00 0.00 H new ATOM 0 HG LEU B 114 -6.901 -8.800 1.090 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.436 -6.501 0.292 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -6.001 -6.521 1.345 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -5.808 -6.386 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -7.984 -8.377 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.376 -8.333 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -6.973 -9.841 -1.148 1.00 0.00 H new ATOM 1133 N SER B 115 -5.549 -8.072 3.620 1.00 0.00 N ATOM 1134 CA SER B 115 -5.567 -7.258 4.844 1.00 0.00 C ATOM 1135 C SER B 115 -4.617 -7.816 5.917 1.00 0.00 C ATOM 1136 O SER B 115 -3.820 -7.066 6.475 1.00 0.00 O ATOM 1137 CB SER B 115 -6.997 -7.157 5.397 1.00 0.00 C ATOM 1138 OG SER B 115 -7.046 -6.399 6.593 1.00 0.00 O ATOM 0 H SER B 115 -6.453 -8.489 3.396 1.00 0.00 H new ATOM 0 HA SER B 115 -5.215 -6.261 4.580 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.644 -6.699 4.649 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.386 -8.158 5.585 1.00 0.00 H new ATOM 0 HG SER B 115 -7.971 -6.355 6.915 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.630 -9.129 6.190 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.675 -9.732 7.130 1.00 0.00 C ATOM 1146 C ALA B 116 -2.216 -9.620 6.657 1.00 0.00 C ATOM 1147 O ALA B 116 -1.324 -9.430 7.485 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.037 -11.200 7.374 1.00 0.00 C ATOM 0 H ALA B 116 -5.287 -9.790 5.776 1.00 0.00 H new ATOM 0 HA ALA B 116 -3.749 -9.170 8.061 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.324 -11.639 8.072 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.041 -11.262 7.794 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.004 -11.745 6.430 1.00 0.00 H new ATOM 1154 N LEU B 117 -1.946 -9.717 5.353 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.604 -9.558 4.778 1.00 0.00 C ATOM 1156 C LEU B 117 -0.074 -8.126 4.967 1.00 0.00 C ATOM 1157 O LEU B 117 1.016 -7.973 5.509 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.612 -9.993 3.301 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.119 -11.434 3.070 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -0.885 -12.521 3.829 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.209 -11.772 1.580 1.00 0.00 C ATOM 0 H LEU B 117 -2.663 -9.911 4.654 1.00 0.00 H new ATOM 0 HA LEU B 117 0.088 -10.208 5.314 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.625 -9.900 2.911 1.00 0.00 H new ATOM 0 HB3 LEU B 117 0.014 -9.309 2.728 1.00 0.00 H new ATOM 0 HG LEU B 117 0.902 -11.439 3.451 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.458 -13.497 3.596 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.810 -12.338 4.901 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.933 -12.503 3.531 1.00 0.00 H new ATOM 0 HD21 LEU B 117 0.140 -12.792 1.416 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.244 -11.685 1.249 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.413 -11.080 1.012 1.00 0.00 H new ATOM 1173 N LEU B 118 -0.830 -7.075 4.616 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.366 -5.686 4.805 1.00 0.00 C ATOM 1175 C LEU B 118 -0.235 -5.304 6.292 1.00 0.00 C ATOM 1176 O LEU B 118 0.655 -4.534 6.651 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.228 -4.701 3.980 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.650 -4.411 4.498 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.723 -3.263 5.508 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.551 -4.020 3.334 1.00 0.00 C ATOM 0 H LEU B 118 -1.759 -7.156 4.203 1.00 0.00 H new ATOM 0 HA LEU B 118 0.648 -5.614 4.413 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.692 -3.754 3.915 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.310 -5.091 2.965 1.00 0.00 H new ATOM 0 HG LEU B 118 -2.968 -5.329 4.992 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.757 -3.122 5.824 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -2.108 -3.502 6.375 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.357 -2.347 5.045 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.556 -3.816 3.704 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.154 -3.127 2.850 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.589 -4.837 2.613 1.00 0.00 H new ATOM 1192 N ARG B 119 -1.060 -5.890 7.172 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.949 -5.746 8.640 1.00 0.00 C ATOM 1194 C ARG B 119 0.310 -6.419 9.190 1.00 0.00 C ATOM 1195 O ARG B 119 1.046 -5.797 9.953 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.218 -6.309 9.293 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.399 -5.342 9.129 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.681 -5.992 9.658 1.00 0.00 C ATOM 1199 NE ARG B 119 -5.846 -5.117 9.447 1.00 0.00 N ATOM 1200 CZ ARG B 119 -6.247 -4.127 10.227 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -5.620 -3.777 11.316 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -7.314 -3.451 9.907 1.00 0.00 N ATOM 0 H ARG B 119 -1.836 -6.487 6.885 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.856 -4.687 8.883 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.466 -7.271 8.844 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -2.036 -6.490 10.352 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -3.200 -4.416 9.669 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.521 -5.078 8.079 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -4.843 -6.946 9.155 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.571 -6.207 10.721 1.00 0.00 H new ATOM 0 HE ARG B 119 -6.403 -5.293 8.611 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -4.777 -4.275 11.602 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -5.973 -3.005 11.882 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -7.833 -3.687 9.061 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -7.631 -2.686 10.503 1.00 0.00 H new ATOM 1216 N GLN B 120 0.607 -7.647 8.763 1.00 0.00 N ATOM 1217 CA GLN B 120 1.838 -8.364 9.129 1.00 0.00 C ATOM 1218 C GLN B 120 3.104 -7.712 8.548 1.00 0.00 C ATOM 1219 O GLN B 120 4.138 -7.691 9.221 1.00 0.00 O ATOM 1220 CB GLN B 120 1.715 -9.840 8.715 1.00 0.00 C ATOM 1221 CG GLN B 120 0.843 -10.636 9.701 1.00 0.00 C ATOM 1222 CD GLN B 120 0.506 -12.032 9.178 1.00 0.00 C ATOM 1223 OE1 GLN B 120 0.989 -13.052 9.663 1.00 0.00 O ATOM 1224 NE2 GLN B 120 -0.312 -12.122 8.151 1.00 0.00 N ATOM 0 H GLN B 120 -0.005 -8.181 8.146 1.00 0.00 H new ATOM 0 HA GLN B 120 1.951 -8.306 10.212 1.00 0.00 H new ATOM 0 HB2 GLN B 120 1.285 -9.903 7.716 1.00 0.00 H new ATOM 0 HB3 GLN B 120 2.708 -10.288 8.664 1.00 0.00 H new ATOM 0 HG2 GLN B 120 1.363 -10.723 10.655 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -0.080 -10.088 9.891 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -0.716 -11.278 7.745 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -0.542 -13.036 7.761 1.00 0.00 H new ATOM 1233 N GLU B 121 3.038 -7.105 7.358 1.00 0.00 N ATOM 1234 CA GLU B 121 4.125 -6.284 6.798 1.00 0.00 C ATOM 1235 C GLU B 121 4.445 -5.058 7.671 1.00 0.00 C ATOM 1236 O GLU B 121 5.617 -4.736 7.876 1.00 0.00 O ATOM 1237 CB GLU B 121 3.752 -5.806 5.381 1.00 0.00 C ATOM 1238 CG GLU B 121 3.955 -6.866 4.285 1.00 0.00 C ATOM 1239 CD GLU B 121 5.419 -7.324 4.134 1.00 0.00 C ATOM 1240 OE1 GLU B 121 6.337 -6.596 4.580 1.00 0.00 O ATOM 1241 OE2 GLU B 121 5.644 -8.419 3.563 1.00 0.00 O1- ATOM 0 H GLU B 121 2.223 -7.168 6.749 1.00 0.00 H new ATOM 0 HA GLU B 121 5.013 -6.916 6.766 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.708 -5.492 5.378 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.350 -4.928 5.137 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.333 -7.733 4.510 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.609 -6.463 3.333 1.00 0.00 H new ATOM 1248 N MET B 122 3.420 -4.397 8.209 1.00 0.00 N ATOM 1249 CA MET B 122 3.551 -3.247 9.118 1.00 0.00 C ATOM 1250 C MET B 122 3.737 -3.632 10.601 1.00 0.00 C ATOM 1251 O MET B 122 3.853 -2.752 11.459 1.00 0.00 O ATOM 1252 CB MET B 122 2.354 -2.301 8.911 1.00 0.00 C ATOM 1253 CG MET B 122 2.470 -1.594 7.559 1.00 0.00 C ATOM 1254 SD MET B 122 1.228 -0.310 7.262 1.00 0.00 S ATOM 1255 CE MET B 122 -0.171 -1.312 6.701 1.00 0.00 C ATOM 0 H MET B 122 2.449 -4.649 8.023 1.00 0.00 H new ATOM 0 HA MET B 122 4.476 -2.731 8.859 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.423 -2.865 8.956 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.320 -1.564 9.714 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.461 -1.145 7.484 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.397 -2.340 6.768 1.00 0.00 H new ATOM 0 HE1 MET B 122 -1.017 -0.662 6.478 1.00 0.00 H new ATOM 0 HE2 MET B 122 0.112 -1.861 5.803 1.00 0.00 H new ATOM 0 HE3 MET B 122 -0.451 -2.017 7.484 1.00 0.00 H new ATOM 1349 N SER B 133 -17.498 0.296 4.837 1.00 0.00 N ATOM 1350 CA SER B 133 -17.789 1.720 4.605 1.00 0.00 C ATOM 1351 C SER B 133 -16.622 2.420 3.903 1.00 0.00 C ATOM 1352 O SER B 133 -15.474 1.975 3.989 1.00 0.00 O ATOM 1353 CB SER B 133 -18.100 2.416 5.938 1.00 0.00 C ATOM 1354 OG SER B 133 -18.492 3.769 5.762 1.00 0.00 O ATOM 0 HA SER B 133 -18.660 1.786 3.953 1.00 0.00 H new ATOM 0 HB2 SER B 133 -18.894 1.874 6.451 1.00 0.00 H new ATOM 0 HB3 SER B 133 -17.220 2.376 6.580 1.00 0.00 H new ATOM 0 HG SER B 133 -19.396 3.897 6.118 1.00 0.00 H new ATOM 1360 N MET B 134 -16.896 3.555 3.249 1.00 0.00 N ATOM 1361 CA MET B 134 -15.889 4.387 2.578 1.00 0.00 C ATOM 1362 C MET B 134 -14.758 4.827 3.525 1.00 0.00 C ATOM 1363 O MET B 134 -13.587 4.794 3.155 1.00 0.00 O ATOM 1364 CB MET B 134 -16.604 5.600 1.972 1.00 0.00 C ATOM 1365 CG MET B 134 -15.747 6.363 0.948 1.00 0.00 C ATOM 1366 SD MET B 134 -16.004 5.972 -0.812 1.00 0.00 S ATOM 1367 CE MET B 134 -15.172 4.368 -0.964 1.00 0.00 C ATOM 0 H MET B 134 -17.842 3.928 3.170 1.00 0.00 H new ATOM 0 HA MET B 134 -15.408 3.798 1.797 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.523 5.268 1.490 1.00 0.00 H new ATOM 0 HB3 MET B 134 -16.892 6.281 2.773 1.00 0.00 H new ATOM 0 HG2 MET B 134 -15.926 7.429 1.086 1.00 0.00 H new ATOM 0 HG3 MET B 134 -14.698 6.182 1.184 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.017 4.137 -2.018 1.00 0.00 H new ATOM 0 HE2 MET B 134 -14.209 4.408 -0.455 1.00 0.00 H new ATOM 0 HE3 MET B 134 -15.790 3.593 -0.510 1.00 0.00 H new ATOM 1377 N GLN B 135 -15.091 5.155 4.776 1.00 0.00 N ATOM 1378 CA GLN B 135 -14.116 5.520 5.815 1.00 0.00 C ATOM 1379 C GLN B 135 -13.187 4.355 6.225 1.00 0.00 C ATOM 1380 O GLN B 135 -12.067 4.603 6.680 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.864 6.094 7.031 1.00 0.00 C ATOM 1382 CG GLN B 135 -15.708 5.059 7.793 1.00 0.00 C ATOM 1383 CD GLN B 135 -16.864 5.702 8.564 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -16.682 6.409 9.550 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -18.097 5.481 8.152 1.00 0.00 N ATOM 0 H GLN B 135 -16.057 5.176 5.103 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.456 6.278 5.394 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -14.139 6.532 7.717 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -15.514 6.902 6.696 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -16.106 4.329 7.088 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -15.069 4.515 8.489 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -18.264 4.895 7.334 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -18.884 5.896 8.652 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.612 3.097 6.047 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.788 1.914 6.330 1.00 0.00 C ATOM 1396 C ASP B 136 -11.716 1.735 5.245 1.00 0.00 C ATOM 1397 O ASP B 136 -10.523 1.663 5.544 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.643 0.637 6.448 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.844 0.723 7.402 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -15.825 -0.022 7.158 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -14.811 1.479 8.398 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.544 2.870 5.700 1.00 0.00 H new ATOM 0 HA ASP B 136 -12.300 2.077 7.291 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -14.009 0.375 5.456 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -13.000 -0.179 6.776 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.137 1.716 3.973 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.243 1.582 2.813 1.00 0.00 C ATOM 1408 C ILE B 137 -10.281 2.772 2.685 1.00 0.00 C ATOM 1409 O ILE B 137 -9.101 2.550 2.422 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.037 1.296 1.513 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.078 1.118 0.310 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.124 2.341 1.231 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -11.776 0.903 -1.043 1.00 0.00 C ATOM 0 H ILE B 137 -13.121 1.794 3.717 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.611 0.710 2.984 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.567 0.356 1.666 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.440 1.999 0.238 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.426 0.267 0.506 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.644 2.085 0.308 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.836 2.357 2.056 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.665 3.324 1.128 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.026 0.788 -1.825 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.392 0.005 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.406 1.763 -1.268 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.727 4.012 2.928 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.849 5.188 2.889 1.00 0.00 C ATOM 1427 C GLN B 138 -8.665 5.042 3.854 1.00 0.00 C ATOM 1428 O GLN B 138 -7.518 5.230 3.450 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.623 6.476 3.226 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.480 7.014 2.074 1.00 0.00 C ATOM 1431 CD GLN B 138 -12.377 8.152 2.555 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -13.557 7.989 2.836 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.865 9.355 2.702 1.00 0.00 N ATOM 0 H GLN B 138 -11.698 4.227 3.155 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.466 5.258 1.871 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.267 6.285 4.085 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.912 7.246 3.525 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.836 7.368 1.269 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -12.092 6.211 1.663 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.885 9.523 2.476 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -12.448 10.120 3.042 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.920 4.655 5.111 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.865 4.457 6.118 1.00 0.00 C ATOM 1444 C GLN B 139 -6.966 3.263 5.772 1.00 0.00 C ATOM 1445 O GLN B 139 -5.743 3.397 5.757 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.498 4.281 7.506 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.100 5.593 8.037 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.813 5.381 9.372 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -9.274 5.622 10.445 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -11.043 4.910 9.351 1.00 0.00 N ATOM 0 H GLN B 139 -9.861 4.470 5.459 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.230 5.343 6.125 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.276 3.520 7.455 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.744 3.920 8.205 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -8.310 6.334 8.159 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.803 5.994 7.307 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -11.496 4.708 8.460 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -11.542 4.748 10.226 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.547 2.106 5.438 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.808 0.863 5.169 1.00 0.00 C ATOM 1461 C LEU B 140 -5.898 0.967 3.928 1.00 0.00 C ATOM 1462 O LEU B 140 -4.741 0.535 3.955 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.847 -0.268 5.060 1.00 0.00 C ATOM 1464 CG LEU B 140 -7.279 -1.692 4.917 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -6.455 -2.115 6.132 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -8.442 -2.678 4.767 1.00 0.00 C ATOM 0 H LEU B 140 -8.557 2.003 5.345 1.00 0.00 H new ATOM 0 HA LEU B 140 -6.116 0.653 5.985 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.482 -0.238 5.945 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -8.487 -0.065 4.202 1.00 0.00 H new ATOM 0 HG LEU B 140 -6.628 -1.697 4.043 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -6.077 -3.126 5.981 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -5.617 -1.430 6.260 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -7.082 -2.091 7.023 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -8.050 -3.690 4.665 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -9.081 -2.623 5.648 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -9.023 -2.423 3.881 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.399 1.582 2.849 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.669 1.791 1.596 1.00 0.00 C ATOM 1480 C LEU B 141 -4.603 2.907 1.708 1.00 0.00 C ATOM 1481 O LEU B 141 -3.544 2.806 1.089 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.718 2.044 0.494 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.190 2.050 -0.946 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.564 0.712 -1.345 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.342 2.302 -1.915 1.00 0.00 C ATOM 0 H LEU B 141 -7.347 1.957 2.825 1.00 0.00 H new ATOM 0 HA LEU B 141 -5.086 0.906 1.342 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.491 1.280 0.574 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.197 3.004 0.689 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.433 2.833 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.206 0.770 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.728 0.489 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.311 -0.078 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.963 2.306 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -8.087 1.514 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.799 3.267 -1.694 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.834 3.935 2.536 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.825 4.948 2.857 1.00 0.00 C ATOM 1499 C ALA B 142 -2.694 4.403 3.754 1.00 0.00 C ATOM 1500 O ALA B 142 -1.542 4.823 3.616 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.516 6.148 3.505 1.00 0.00 C ATOM 0 H ALA B 142 -5.729 4.086 3.002 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.344 5.255 1.928 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.773 6.908 3.748 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.248 6.564 2.813 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.020 5.829 4.417 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.985 3.449 4.648 1.00 0.00 N ATOM 1508 CA LYS B 143 -2.000 2.830 5.551 1.00 0.00 C ATOM 1509 C LYS B 143 -0.936 2.030 4.792 1.00 0.00 C ATOM 1510 O LYS B 143 0.259 2.253 4.988 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.741 1.981 6.599 1.00 0.00 C ATOM 1512 CG LYS B 143 -1.896 1.819 7.861 1.00 0.00 C ATOM 1513 CD LYS B 143 -2.550 0.867 8.867 1.00 0.00 C ATOM 1514 CE LYS B 143 -1.639 0.712 10.090 1.00 0.00 C ATOM 1515 NZ LYS B 143 -2.260 -0.129 11.146 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.927 3.078 4.768 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.450 3.618 6.066 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.691 2.453 6.850 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -2.972 1.001 6.182 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -0.910 1.441 7.592 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -1.748 2.793 8.326 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -3.522 1.254 9.171 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -2.724 -0.104 8.404 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -0.693 0.267 9.783 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -1.411 1.696 10.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -1.610 -0.207 11.954 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -3.150 0.308 11.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -2.455 -1.077 10.765 1.00 0.00 H new ATOM 1529 N SER B 144 -1.350 1.172 3.859 1.00 0.00 N ATOM 1530 CA SER B 144 -0.439 0.442 2.957 1.00 0.00 C ATOM 1531 C SER B 144 0.343 1.378 2.015 1.00 0.00 C ATOM 1532 O SER B 144 1.543 1.178 1.821 1.00 0.00 O ATOM 1533 CB SER B 144 -1.209 -0.633 2.181 1.00 0.00 C ATOM 1534 OG SER B 144 -2.282 -0.083 1.436 1.00 0.00 O ATOM 0 H SER B 144 -2.335 0.958 3.701 1.00 0.00 H new ATOM 0 HA SER B 144 0.311 -0.049 3.577 1.00 0.00 H new ATOM 0 HB2 SER B 144 -0.528 -1.152 1.507 1.00 0.00 H new ATOM 0 HB3 SER B 144 -1.595 -1.377 2.878 1.00 0.00 H new ATOM 0 HG SER B 144 -2.286 0.892 1.538 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.263 2.468 1.527 1.00 0.00 N ATOM 1541 CA LEU B 145 0.431 3.518 0.767 1.00 0.00 C ATOM 1542 C LEU B 145 1.526 4.227 1.596 1.00 0.00 C ATOM 1543 O LEU B 145 2.636 4.438 1.102 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.647 4.462 0.186 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.218 5.722 -0.591 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.084 6.916 0.317 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.958 5.502 -1.544 1.00 0.00 C ATOM 0 H LEU B 145 -1.259 2.648 1.650 1.00 0.00 H new ATOM 0 HA LEU B 145 0.993 3.085 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.277 3.869 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.275 4.788 1.015 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.095 5.953 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.380 7.770 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.807 7.171 0.891 1.00 0.00 H new ATOM 0 HD13 LEU B 145 0.894 6.659 0.999 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.196 6.437 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.827 5.165 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.691 4.747 -2.283 1.00 0.00 H new ATOM 1559 N THR B 146 1.272 4.507 2.881 1.00 0.00 N ATOM 1560 CA THR B 146 2.286 5.062 3.805 1.00 0.00 C ATOM 1561 C THR B 146 3.495 4.126 3.961 1.00 0.00 C ATOM 1562 O THR B 146 4.636 4.590 3.976 1.00 0.00 O ATOM 1563 CB THR B 146 1.663 5.391 5.174 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.632 6.346 5.029 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.659 5.976 6.180 1.00 0.00 C ATOM 0 H THR B 146 0.361 4.358 3.315 1.00 0.00 H new ATOM 0 HA THR B 146 2.651 5.990 3.364 1.00 0.00 H new ATOM 0 HB THR B 146 1.296 4.437 5.553 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.137 5.932 4.585 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.148 6.182 7.120 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.463 5.261 6.354 1.00 0.00 H new ATOM 0 HG23 THR B 146 3.076 6.902 5.783 1.00 0.00 H new ATOM 1573 N GLU B 147 3.282 2.807 3.987 1.00 0.00 N ATOM 1574 CA GLU B 147 4.369 1.813 4.028 1.00 0.00 C ATOM 1575 C GLU B 147 5.191 1.760 2.721 1.00 0.00 C ATOM 1576 O GLU B 147 6.410 1.612 2.787 1.00 0.00 O ATOM 1577 CB GLU B 147 3.772 0.443 4.405 1.00 0.00 C ATOM 1578 CG GLU B 147 4.772 -0.713 4.580 1.00 0.00 C ATOM 1579 CD GLU B 147 5.637 -0.661 5.850 1.00 0.00 C ATOM 1580 OE1 GLU B 147 6.328 -1.672 6.126 1.00 0.00 O ATOM 1581 OE2 GLU B 147 5.615 0.354 6.587 1.00 0.00 O1- ATOM 0 H GLU B 147 2.350 2.393 3.980 1.00 0.00 H new ATOM 0 HA GLU B 147 5.087 2.114 4.790 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.215 0.557 5.335 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.053 0.160 3.636 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.218 -1.652 4.578 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.433 -0.732 3.713 1.00 0.00 H new ATOM 1588 N ILE B 148 4.576 1.960 1.542 1.00 0.00 N ATOM 1589 CA ILE B 148 5.310 2.139 0.268 1.00 0.00 C ATOM 1590 C ILE B 148 6.241 3.354 0.380 1.00 0.00 C ATOM 1591 O ILE B 148 7.440 3.235 0.126 1.00 0.00 O ATOM 1592 CB ILE B 148 4.362 2.307 -0.955 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.474 1.068 -1.188 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.173 2.628 -2.232 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.345 1.317 -2.195 1.00 0.00 C ATOM 0 H ILE B 148 3.562 2.003 1.441 1.00 0.00 H new ATOM 0 HA ILE B 148 5.890 1.232 0.096 1.00 0.00 H new ATOM 0 HB ILE B 148 3.700 3.143 -0.728 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.095 0.245 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.042 0.754 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.493 2.742 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.729 3.554 -2.087 1.00 0.00 H new ATOM 0 HG23 ILE B 148 5.870 1.815 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.757 0.407 -2.315 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.703 2.119 -1.831 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.772 1.602 -3.157 1.00 0.00 H new ATOM 1607 N LYS B 149 5.705 4.514 0.792 1.00 0.00 N ATOM 1608 CA LYS B 149 6.474 5.767 0.904 1.00 0.00 C ATOM 1609 C LYS B 149 7.653 5.639 1.868 1.00 0.00 C ATOM 1610 O LYS B 149 8.746 6.119 1.558 1.00 0.00 O ATOM 1611 CB LYS B 149 5.536 6.915 1.312 1.00 0.00 C ATOM 1612 CG LYS B 149 4.638 7.352 0.145 1.00 0.00 C ATOM 1613 CD LYS B 149 3.686 8.476 0.569 1.00 0.00 C ATOM 1614 CE LYS B 149 2.831 8.983 -0.598 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.607 9.822 -1.544 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.725 4.611 1.058 1.00 0.00 H new ATOM 0 HA LYS B 149 6.903 5.990 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS B 149 4.916 6.599 2.151 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.127 7.764 1.655 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.256 7.690 -0.686 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.061 6.499 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.034 8.116 1.365 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.264 9.304 0.980 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.410 8.132 -1.133 1.00 0.00 H new ATOM 0 HE3 LYS B 149 1.993 9.561 -0.207 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 2.956 10.291 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.139 10.541 -1.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.270 9.223 -2.076 1.00 0.00 H new ATOM 1629 N ARG B 150 7.474 4.937 2.996 1.00 0.00 N ATOM 1630 CA ARG B 150 8.547 4.626 3.958 1.00 0.00 C ATOM 1631 C ARG B 150 9.679 3.816 3.317 1.00 0.00 C ATOM 1632 O ARG B 150 10.839 4.214 3.396 1.00 0.00 O ATOM 1633 CB ARG B 150 7.957 3.871 5.165 1.00 0.00 C ATOM 1634 CG ARG B 150 8.900 3.889 6.384 1.00 0.00 C ATOM 1635 CD ARG B 150 8.698 2.700 7.337 1.00 0.00 C ATOM 1636 NE ARG B 150 7.290 2.352 7.571 1.00 0.00 N ATOM 1637 CZ ARG B 150 6.405 2.930 8.357 1.00 0.00 C ATOM 1638 NH1 ARG B 150 6.681 3.969 9.097 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 5.205 2.436 8.389 1.00 0.00 N ATOM 0 H ARG B 150 6.566 4.562 3.272 1.00 0.00 H new ATOM 0 HA ARG B 150 8.981 5.568 4.293 1.00 0.00 H new ATOM 0 HB2 ARG B 150 7.003 4.320 5.440 1.00 0.00 H new ATOM 0 HB3 ARG B 150 7.754 2.838 4.881 1.00 0.00 H new ATOM 0 HG2 ARG B 150 9.932 3.892 6.034 1.00 0.00 H new ATOM 0 HG3 ARG B 150 8.748 4.816 6.936 1.00 0.00 H new ATOM 0 HD2 ARG B 150 9.213 1.830 6.930 1.00 0.00 H new ATOM 0 HD3 ARG B 150 9.168 2.930 8.293 1.00 0.00 H new ATOM 0 HE ARG B 150 6.948 1.545 7.049 1.00 0.00 H new ATOM 0 HH11 ARG B 150 7.619 4.370 9.083 1.00 0.00 H new ATOM 0 HH12 ARG B 150 5.959 4.380 9.689 1.00 0.00 H new ATOM 0 HH21 ARG B 150 4.972 1.625 7.816 1.00 0.00 H new ATOM 0 HH22 ARG B 150 4.495 2.859 8.987 1.00 0.00 H new ATOM 1653 N LEU B 151 9.345 2.698 2.665 1.00 0.00 N ATOM 1654 CA LEU B 151 10.329 1.753 2.120 1.00 0.00 C ATOM 1655 C LEU B 151 11.039 2.286 0.865 1.00 0.00 C ATOM 1656 O LEU B 151 12.239 2.050 0.711 1.00 0.00 O ATOM 1657 CB LEU B 151 9.644 0.395 1.864 1.00 0.00 C ATOM 1658 CG LEU B 151 9.665 -0.583 3.058 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.082 -1.102 3.326 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.121 -0.002 4.368 1.00 0.00 C ATOM 0 H LEU B 151 8.378 2.420 2.499 1.00 0.00 H new ATOM 0 HA LEU B 151 11.118 1.620 2.860 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.607 0.576 1.581 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.128 -0.084 1.013 1.00 0.00 H new ATOM 0 HG LEU B 151 8.999 -1.390 2.752 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.064 -1.788 4.173 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.451 -1.624 2.443 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.740 -0.263 3.553 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.174 -0.758 5.151 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.718 0.863 4.658 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.084 0.303 4.228 1.00 0.00 H new ATOM 1672 N LYS B 152 10.351 3.044 0.006 1.00 0.00 N ATOM 1673 CA LYS B 152 10.981 3.717 -1.149 1.00 0.00 C ATOM 1674 C LYS B 152 12.012 4.758 -0.698 1.00 0.00 C ATOM 1675 O LYS B 152 13.126 4.780 -1.225 1.00 0.00 O ATOM 1676 CB LYS B 152 9.914 4.353 -2.051 1.00 0.00 C ATOM 1677 CG LYS B 152 9.100 3.302 -2.827 1.00 0.00 C ATOM 1678 CD LYS B 152 8.087 3.926 -3.803 1.00 0.00 C ATOM 1679 CE LYS B 152 8.804 4.553 -5.000 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.865 5.238 -5.915 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.348 3.212 0.085 1.00 0.00 H new ATOM 0 HA LYS B 152 11.513 2.961 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.239 4.955 -1.442 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.395 5.030 -2.757 1.00 0.00 H new ATOM 0 HG2 LYS B 152 9.783 2.659 -3.383 1.00 0.00 H new ATOM 0 HG3 LYS B 152 8.569 2.666 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.391 3.162 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS B 152 7.498 4.685 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS B 152 9.547 5.266 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS B 152 9.342 3.778 -5.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 8.401 5.720 -6.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.224 4.539 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 7.310 5.938 -5.382 1.00 0.00 H new ATOM 1694 N ALA B 153 11.685 5.568 0.311 1.00 0.00 N ATOM 1695 CA ALA B 153 12.615 6.542 0.885 1.00 0.00 C ATOM 1696 C ALA B 153 13.809 5.868 1.595 1.00 0.00 C ATOM 1697 O ALA B 153 14.954 6.294 1.413 1.00 0.00 O ATOM 1698 CB ALA B 153 11.833 7.445 1.850 1.00 0.00 C ATOM 0 H ALA B 153 10.766 5.567 0.754 1.00 0.00 H new ATOM 0 HA ALA B 153 13.045 7.137 0.079 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.508 8.179 2.289 1.00 0.00 H new ATOM 0 HB2 ALA B 153 11.042 7.960 1.306 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.393 6.838 2.641 1.00 0.00 H new ATOM 1704 N ALA B 154 13.569 4.791 2.353 1.00 0.00 N ATOM 1705 CA ALA B 154 14.617 4.040 3.038 1.00 0.00 C ATOM 1706 C ALA B 154 15.622 3.405 2.056 1.00 0.00 C ATOM 1707 O ALA B 154 16.832 3.571 2.223 1.00 0.00 O ATOM 1708 CB ALA B 154 13.954 2.979 3.938 1.00 0.00 C ATOM 0 H ALA B 154 12.633 4.417 2.507 1.00 0.00 H new ATOM 0 HA ALA B 154 15.200 4.728 3.651 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.725 2.409 4.457 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.313 3.471 4.669 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.355 2.305 3.325 1.00 0.00 H new ATOM 1714 N ASN B 155 15.140 2.728 1.003 1.00 0.00 N ATOM 1715 CA ASN B 155 15.998 2.082 -0.001 1.00 0.00 C ATOM 1716 C ASN B 155 16.807 3.113 -0.819 1.00 0.00 C ATOM 1717 O ASN B 155 17.990 2.902 -1.097 1.00 0.00 O ATOM 1718 CB ASN B 155 15.130 1.156 -0.883 1.00 0.00 C ATOM 1719 CG ASN B 155 15.921 0.044 -1.571 1.00 0.00 C ATOM 1720 OD1 ASN B 155 17.120 -0.118 -1.417 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.264 -0.789 -2.344 1.00 0.00 N ATOM 0 H ASN B 155 14.143 2.613 0.824 1.00 0.00 H new ATOM 0 HA ASN B 155 16.747 1.470 0.502 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.351 0.708 -0.267 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.629 1.757 -1.642 1.00 0.00 H new ATOM 0 HD21 ASN B 155 15.757 -1.555 -2.803 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.261 -0.670 -2.485 1.00 0.00 H new ATOM 1728 N GLN B 156 16.222 4.281 -1.123 1.00 0.00 N ATOM 1729 CA GLN B 156 16.928 5.388 -1.780 1.00 0.00 C ATOM 1730 C GLN B 156 18.053 5.976 -0.904 1.00 0.00 C ATOM 1731 O GLN B 156 19.140 6.263 -1.413 1.00 0.00 O ATOM 1732 CB GLN B 156 15.892 6.451 -2.189 1.00 0.00 C ATOM 1733 CG GLN B 156 16.482 7.705 -2.868 1.00 0.00 C ATOM 1734 CD GLN B 156 17.210 7.438 -4.187 1.00 0.00 C ATOM 1735 OE1 GLN B 156 17.044 6.423 -4.854 1.00 0.00 O ATOM 1736 NE2 GLN B 156 18.032 8.361 -4.644 1.00 0.00 N ATOM 0 H GLN B 156 15.243 4.484 -0.919 1.00 0.00 H new ATOM 0 HA GLN B 156 17.432 5.011 -2.670 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.172 5.993 -2.867 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.341 6.761 -1.301 1.00 0.00 H new ATOM 0 HG2 GLN B 156 15.676 8.415 -3.052 1.00 0.00 H new ATOM 0 HG3 GLN B 156 17.176 8.183 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN B 156 18.188 9.215 -4.109 1.00 0.00 H new ATOM 0 HE22 GLN B 156 18.512 8.221 -5.533 1.00 0.00 H new