USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=13 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 Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0829 X(o=-0.083,f=0) USER MOD Single : A 22 MET CE :methyl -175:sc= -0.0394 (180deg=-0.0471) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0.581 K(o=0.58,f=-4!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 39 GLN : amide:sc= 0.867 K(o=0.87,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 72:sc= 0.504 USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 1.24 (180deg=0.982) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= 1.57 (180deg=1.16) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : B 115 SER OG : rot 180:sc= 0.537 USER MOD Single : B 120 GLN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : B 122 MET CE :methyl 162:sc= -0.467 (180deg=-0.662) USER MOD Single : B 133 SER OG : rot 27:sc= 0.0625 USER MOD Single : B 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 138 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 139 GLN : amide:sc= 0.944 K(o=0.94,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 144 SER OG : rot 170:sc=-0.00188 USER MOD Single : B 146 THR OG1 : rot 71:sc= 0.688 USER MOD Single : B 149 LYS NZ :NH3+ -162:sc= 1.33 (180deg=1.03) USER MOD Single : B 152 LYS NZ :NH3+ -155:sc= 2.17 (180deg=1.62) USER MOD Single : B 155 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 156 GLN : amide:sc=-0.00392 X(o=-0.0039,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -10.348 12.800 -0.017 1.00 0.00 N ATOM 115 CA PRO A 10 -11.284 11.772 -0.481 1.00 0.00 C ATOM 116 C PRO A 10 -10.572 10.548 -1.068 1.00 0.00 C ATOM 117 O PRO A 10 -9.395 10.583 -1.435 1.00 0.00 O ATOM 118 CB PRO A 10 -12.181 12.474 -1.506 1.00 0.00 C ATOM 119 CG PRO A 10 -11.265 13.550 -2.090 1.00 0.00 C ATOM 120 CD PRO A 10 -10.415 13.971 -0.890 1.00 0.00 C ATOM 0 HA PRO A 10 -11.866 11.366 0.346 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.533 11.784 -2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.065 12.908 -1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.651 13.160 -2.902 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.834 14.387 -2.495 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.419 14.280 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.863 14.819 -0.372 1.00 0.00 H new ATOM 128 N ILE A 11 -11.316 9.449 -1.204 1.00 0.00 N ATOM 129 CA ILE A 11 -10.809 8.148 -1.670 1.00 0.00 C ATOM 130 C ILE A 11 -10.180 8.197 -3.079 1.00 0.00 C ATOM 131 O ILE A 11 -9.218 7.483 -3.351 1.00 0.00 O ATOM 132 CB ILE A 11 -11.925 7.088 -1.554 1.00 0.00 C ATOM 133 CG1 ILE A 11 -11.329 5.690 -1.812 1.00 0.00 C ATOM 134 CG2 ILE A 11 -13.129 7.383 -2.468 1.00 0.00 C ATOM 135 CD1 ILE A 11 -12.216 4.550 -1.315 1.00 0.00 C ATOM 0 H ILE A 11 -12.313 9.434 -0.989 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.983 7.862 -1.018 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.323 7.123 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.159 5.568 -2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.356 5.622 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.881 6.604 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.560 8.348 -2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.800 7.406 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.736 3.595 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.366 4.648 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.180 4.592 -1.821 1.00 0.00 H new ATOM 147 N ASP A 12 -10.663 9.076 -3.963 1.00 0.00 N ATOM 148 CA ASP A 12 -10.103 9.256 -5.314 1.00 0.00 C ATOM 149 C ASP A 12 -8.645 9.758 -5.290 1.00 0.00 C ATOM 150 O ASP A 12 -7.848 9.374 -6.149 1.00 0.00 O ATOM 151 CB ASP A 12 -10.977 10.227 -6.124 1.00 0.00 C ATOM 152 CG ASP A 12 -12.441 9.792 -6.335 1.00 0.00 C ATOM 153 OD1 ASP A 12 -12.756 8.580 -6.276 1.00 0.00 O ATOM 154 OD2 ASP A 12 -13.284 10.683 -6.605 1.00 0.00 O1- ATOM 0 H ASP A 12 -11.456 9.686 -3.765 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.099 8.275 -5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.974 11.195 -5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.516 10.373 -7.101 1.00 0.00 H new ATOM 159 N GLU A 13 -8.281 10.597 -4.315 1.00 0.00 N ATOM 160 CA GLU A 13 -6.926 11.154 -4.177 1.00 0.00 C ATOM 161 C GLU A 13 -5.925 10.119 -3.654 1.00 0.00 C ATOM 162 O GLU A 13 -4.895 9.911 -4.297 1.00 0.00 O ATOM 163 CB GLU A 13 -6.942 12.421 -3.299 1.00 0.00 C ATOM 164 CG GLU A 13 -7.701 13.601 -3.928 1.00 0.00 C ATOM 165 CD GLU A 13 -7.109 14.083 -5.269 1.00 0.00 C ATOM 166 OE1 GLU A 13 -5.866 14.114 -5.426 1.00 0.00 O ATOM 167 OE2 GLU A 13 -7.894 14.473 -6.173 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.924 10.914 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.587 11.437 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.396 12.180 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.915 12.727 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.740 13.310 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.706 14.433 -3.224 1.00 0.00 H new ATOM 174 N LEU A 14 -6.221 9.404 -2.561 1.00 0.00 N ATOM 175 CA LEU A 14 -5.320 8.348 -2.066 1.00 0.00 C ATOM 176 C LEU A 14 -5.215 7.161 -3.052 1.00 0.00 C ATOM 177 O LEU A 14 -4.152 6.549 -3.172 1.00 0.00 O ATOM 178 CB LEU A 14 -5.682 7.917 -0.629 1.00 0.00 C ATOM 179 CG LEU A 14 -7.086 7.315 -0.429 1.00 0.00 C ATOM 180 CD1 LEU A 14 -7.034 5.788 -0.438 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.692 7.748 0.907 1.00 0.00 C ATOM 0 H LEU A 14 -7.067 9.533 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.318 8.773 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.946 7.186 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.586 8.785 0.023 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.700 7.679 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.038 5.389 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.639 5.443 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.387 5.441 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.682 7.306 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.052 7.412 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.774 8.835 0.934 1.00 0.00 H new ATOM 193 N SER A 15 -6.277 6.888 -3.821 1.00 0.00 N ATOM 194 CA SER A 15 -6.266 5.924 -4.935 1.00 0.00 C ATOM 195 C SER A 15 -5.399 6.380 -6.123 1.00 0.00 C ATOM 196 O SER A 15 -4.762 5.558 -6.776 1.00 0.00 O ATOM 197 CB SER A 15 -7.707 5.644 -5.376 1.00 0.00 C ATOM 198 OG SER A 15 -7.766 4.685 -6.419 1.00 0.00 O ATOM 0 H SER A 15 -7.183 7.336 -3.687 1.00 0.00 H new ATOM 0 HA SER A 15 -5.806 5.005 -4.572 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.285 5.288 -4.523 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.171 6.572 -5.710 1.00 0.00 H new ATOM 0 HG SER A 15 -8.701 4.533 -6.671 1.00 0.00 H new ATOM 204 N ALA A 16 -5.303 7.683 -6.412 1.00 0.00 N ATOM 205 CA ALA A 16 -4.369 8.215 -7.411 1.00 0.00 C ATOM 206 C ALA A 16 -2.912 8.226 -6.911 1.00 0.00 C ATOM 207 O ALA A 16 -1.993 8.010 -7.704 1.00 0.00 O ATOM 208 CB ALA A 16 -4.816 9.623 -7.821 1.00 0.00 C ATOM 0 H ALA A 16 -5.871 8.399 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.390 7.554 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.125 10.022 -8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.819 9.577 -8.246 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.823 10.272 -6.945 1.00 0.00 H new ATOM 214 N LEU A 17 -2.684 8.467 -5.616 1.00 0.00 N ATOM 215 CA LEU A 17 -1.347 8.484 -5.009 1.00 0.00 C ATOM 216 C LEU A 17 -0.639 7.128 -5.127 1.00 0.00 C ATOM 217 O LEU A 17 0.537 7.108 -5.485 1.00 0.00 O ATOM 218 CB LEU A 17 -1.446 8.939 -3.537 1.00 0.00 C ATOM 219 CG LEU A 17 -1.059 10.414 -3.303 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.861 11.428 -4.122 1.00 0.00 C ATOM 221 CD2 LEU A 17 -1.261 10.754 -1.827 1.00 0.00 C ATOM 0 H LEU A 17 -3.432 8.658 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.736 9.199 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.467 8.783 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.801 8.305 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.020 10.495 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.518 12.436 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.718 11.232 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.919 11.339 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.990 11.795 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.306 10.602 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.631 10.108 -1.215 1.00 0.00 H new ATOM 233 N LEU A 18 -1.330 6.000 -4.901 1.00 0.00 N ATOM 234 CA LEU A 18 -0.712 4.669 -5.031 1.00 0.00 C ATOM 235 C LEU A 18 -0.308 4.346 -6.478 1.00 0.00 C ATOM 236 O LEU A 18 0.788 3.825 -6.702 1.00 0.00 O ATOM 237 CB LEU A 18 -1.586 3.589 -4.362 1.00 0.00 C ATOM 238 CG LEU A 18 -2.875 3.191 -5.107 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.697 1.972 -6.015 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.986 2.841 -4.119 1.00 0.00 C ATOM 0 H LEU A 18 -2.313 5.981 -4.628 1.00 0.00 H new ATOM 0 HA LEU A 18 0.231 4.678 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.979 2.694 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.861 3.940 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.130 4.059 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.642 1.745 -6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.937 2.186 -6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.386 1.115 -5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.886 2.563 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.668 2.005 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.197 3.704 -3.488 1.00 0.00 H new ATOM 252 N ARG A 19 -1.128 4.719 -7.472 1.00 0.00 N ATOM 253 CA ARG A 19 -0.804 4.524 -8.899 1.00 0.00 C ATOM 254 C ARG A 19 0.383 5.393 -9.318 1.00 0.00 C ATOM 255 O ARG A 19 1.303 4.898 -9.972 1.00 0.00 O ATOM 256 CB ARG A 19 -2.047 4.770 -9.781 1.00 0.00 C ATOM 257 CG ARG A 19 -3.171 3.751 -9.502 1.00 0.00 C ATOM 258 CD ARG A 19 -4.291 3.800 -10.555 1.00 0.00 C ATOM 259 NE ARG A 19 -3.921 3.062 -11.776 1.00 0.00 N ATOM 260 CZ ARG A 19 -4.710 2.640 -12.745 1.00 0.00 C ATOM 261 NH1 ARG A 19 -5.967 2.955 -12.828 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -4.216 1.870 -13.672 1.00 0.00 N ATOM 0 H ARG A 19 -2.032 5.163 -7.313 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.504 3.486 -9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.421 5.778 -9.605 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.762 4.715 -10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.747 2.747 -9.475 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.595 3.945 -8.517 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.204 3.377 -10.136 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.508 4.838 -10.808 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.929 2.851 -11.885 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.390 3.557 -12.122 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.532 2.600 -13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.232 1.602 -13.642 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.813 1.535 -14.428 1.00 0.00 H new ATOM 276 N GLN A 20 0.430 6.647 -8.869 1.00 0.00 N ATOM 277 CA GLN A 20 1.556 7.560 -9.106 1.00 0.00 C ATOM 278 C GLN A 20 2.864 7.121 -8.411 1.00 0.00 C ATOM 279 O GLN A 20 3.934 7.251 -9.004 1.00 0.00 O ATOM 280 CB GLN A 20 1.146 8.982 -8.690 1.00 0.00 C ATOM 281 CG GLN A 20 0.211 9.620 -9.728 1.00 0.00 C ATOM 282 CD GLN A 20 -0.376 10.935 -9.218 1.00 0.00 C ATOM 283 OE1 GLN A 20 -0.013 12.025 -9.640 1.00 0.00 O ATOM 284 NE2 GLN A 20 -1.288 10.875 -8.269 1.00 0.00 N ATOM 0 H GLN A 20 -0.322 7.066 -8.322 1.00 0.00 H new ATOM 0 HA GLN A 20 1.782 7.537 -10.172 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.649 8.950 -7.721 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.036 9.599 -8.572 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.760 9.799 -10.652 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.597 8.928 -9.966 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.595 9.970 -7.913 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.687 11.734 -7.890 1.00 0.00 H new ATOM 293 N GLU A 21 2.807 6.540 -7.207 1.00 0.00 N ATOM 294 CA GLU A 21 3.977 5.937 -6.547 1.00 0.00 C ATOM 295 C GLU A 21 4.519 4.698 -7.285 1.00 0.00 C ATOM 296 O GLU A 21 5.732 4.482 -7.321 1.00 0.00 O ATOM 297 CB GLU A 21 3.635 5.560 -5.091 1.00 0.00 C ATOM 298 CG GLU A 21 3.651 6.763 -4.132 1.00 0.00 C ATOM 299 CD GLU A 21 5.039 7.407 -3.947 1.00 0.00 C ATOM 300 OE1 GLU A 21 6.078 6.791 -4.291 1.00 0.00 O ATOM 301 OE2 GLU A 21 5.096 8.551 -3.433 1.00 0.00 O1- ATOM 0 H GLU A 21 1.949 6.473 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 21 4.762 6.692 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.649 5.096 -5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.347 4.814 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.959 7.519 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.279 6.442 -3.159 1.00 0.00 H new ATOM 308 N MET A 22 3.654 3.907 -7.927 1.00 0.00 N ATOM 309 CA MET A 22 4.038 2.787 -8.802 1.00 0.00 C ATOM 310 C MET A 22 4.531 3.229 -10.190 1.00 0.00 C ATOM 311 O MET A 22 5.047 2.405 -10.952 1.00 0.00 O ATOM 312 CB MET A 22 2.846 1.833 -8.954 1.00 0.00 C ATOM 313 CG MET A 22 2.471 1.176 -7.624 1.00 0.00 C ATOM 314 SD MET A 22 0.807 0.468 -7.627 1.00 0.00 S ATOM 315 CE MET A 22 0.566 0.347 -5.835 1.00 0.00 C ATOM 0 H MET A 22 2.644 4.027 -7.853 1.00 0.00 H new ATOM 0 HA MET A 22 4.880 2.286 -8.324 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.988 2.382 -9.343 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.089 1.062 -9.685 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.193 0.391 -7.397 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.543 1.916 -6.827 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.379 -0.155 -5.628 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.384 -0.224 -5.396 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.548 1.347 -5.402 1.00 0.00 H new ATOM 325 N GLY A 23 4.365 4.509 -10.549 1.00 0.00 N ATOM 326 CA GLY A 23 4.659 5.052 -11.885 1.00 0.00 C ATOM 327 C GLY A 23 3.650 4.629 -12.964 1.00 0.00 C ATOM 328 O GLY A 23 3.954 4.695 -14.156 1.00 0.00 O ATOM 0 H GLY A 23 4.013 5.215 -9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.680 6.140 -11.828 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.655 4.729 -12.187 1.00 0.00 H new ATOM 420 N MET A 34 -16.837 -5.480 -3.578 1.00 0.00 N ATOM 421 CA MET A 34 -15.702 -6.092 -2.856 1.00 0.00 C ATOM 422 C MET A 34 -14.501 -6.410 -3.772 1.00 0.00 C ATOM 423 O MET A 34 -13.346 -6.307 -3.363 1.00 0.00 O ATOM 424 CB MET A 34 -16.188 -7.329 -2.079 1.00 0.00 C ATOM 425 CG MET A 34 -15.086 -8.015 -1.254 1.00 0.00 C ATOM 426 SD MET A 34 -14.151 -6.997 -0.086 1.00 0.00 S ATOM 427 CE MET A 34 -15.404 -6.580 1.154 1.00 0.00 C ATOM 0 HA MET A 34 -15.325 -5.358 -2.144 1.00 0.00 H new ATOM 0 HB2 MET A 34 -16.997 -7.033 -1.412 1.00 0.00 H new ATOM 0 HB3 MET A 34 -16.603 -8.049 -2.784 1.00 0.00 H new ATOM 0 HG2 MET A 34 -15.544 -8.831 -0.695 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.377 -8.464 -1.950 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.957 -5.956 1.928 1.00 0.00 H new ATOM 0 HE2 MET A 34 -16.221 -6.037 0.678 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.790 -7.495 1.603 1.00 0.00 H new ATOM 437 N GLN A 35 -14.744 -6.720 -5.044 1.00 0.00 N ATOM 438 CA GLN A 35 -13.678 -6.965 -6.020 1.00 0.00 C ATOM 439 C GLN A 35 -12.859 -5.708 -6.361 1.00 0.00 C ATOM 440 O GLN A 35 -11.682 -5.817 -6.710 1.00 0.00 O ATOM 441 CB GLN A 35 -14.271 -7.581 -7.298 1.00 0.00 C ATOM 442 CG GLN A 35 -14.982 -8.921 -7.038 1.00 0.00 C ATOM 443 CD GLN A 35 -16.469 -8.826 -6.676 1.00 0.00 C ATOM 444 OE1 GLN A 35 -17.030 -7.775 -6.388 1.00 0.00 O ATOM 445 NE2 GLN A 35 -17.181 -9.934 -6.674 1.00 0.00 N ATOM 0 H GLN A 35 -15.684 -6.809 -5.429 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.982 -7.664 -5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.978 -6.879 -7.740 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.475 -7.733 -8.027 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.883 -9.543 -7.928 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.463 -9.436 -6.230 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.741 -10.823 -6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.173 -9.903 -6.437 1.00 0.00 H new ATOM 454 N ASP A 36 -13.447 -4.511 -6.248 1.00 0.00 N ATOM 455 CA ASP A 36 -12.752 -3.232 -6.476 1.00 0.00 C ATOM 456 C ASP A 36 -11.705 -2.973 -5.375 1.00 0.00 C ATOM 457 O ASP A 36 -10.558 -2.620 -5.659 1.00 0.00 O ATOM 458 CB ASP A 36 -13.738 -2.051 -6.522 1.00 0.00 C ATOM 459 CG ASP A 36 -14.958 -2.213 -7.438 1.00 0.00 C ATOM 460 OD1 ASP A 36 -15.994 -1.574 -7.140 1.00 0.00 O ATOM 461 OD2 ASP A 36 -14.880 -2.930 -8.463 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.428 -4.399 -5.993 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.253 -3.309 -7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.094 -1.865 -5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.191 -1.162 -6.836 1.00 0.00 H new ATOM 466 N ILE A 37 -12.087 -3.209 -4.118 1.00 0.00 N ATOM 467 CA ILE A 37 -11.218 -3.026 -2.946 1.00 0.00 C ATOM 468 C ILE A 37 -10.155 -4.127 -2.851 1.00 0.00 C ATOM 469 O ILE A 37 -9.002 -3.812 -2.558 1.00 0.00 O ATOM 470 CB ILE A 37 -12.052 -2.844 -1.655 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.154 -2.728 -0.401 1.00 0.00 C ATOM 472 CG2 ILE A 37 -13.110 -3.933 -1.473 1.00 0.00 C ATOM 473 CD1 ILE A 37 -11.939 -2.553 0.907 1.00 0.00 C ATOM 0 H ILE A 37 -13.022 -3.538 -3.879 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.659 -2.099 -3.073 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.586 -1.901 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.534 -3.621 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.479 -1.881 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.663 -3.753 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.798 -3.917 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.624 -4.907 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.243 -2.479 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.539 -1.644 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.594 -3.411 1.056 1.00 0.00 H new ATOM 485 N GLN A 38 -10.480 -5.383 -3.182 1.00 0.00 N ATOM 486 CA GLN A 38 -9.468 -6.448 -3.305 1.00 0.00 C ATOM 487 C GLN A 38 -8.363 -6.058 -4.306 1.00 0.00 C ATOM 488 O GLN A 38 -7.180 -6.138 -3.972 1.00 0.00 O ATOM 489 CB GLN A 38 -10.120 -7.779 -3.722 1.00 0.00 C ATOM 490 CG GLN A 38 -10.899 -8.469 -2.588 1.00 0.00 C ATOM 491 CD GLN A 38 -11.648 -9.692 -3.124 1.00 0.00 C ATOM 492 OE1 GLN A 38 -12.737 -9.605 -3.670 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.085 -10.877 -3.022 1.00 0.00 N ATOM 0 H GLN A 38 -11.434 -5.690 -3.370 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.008 -6.578 -2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.797 -7.596 -4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.345 -8.456 -4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.212 -8.773 -1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.605 -7.768 -2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.176 -10.972 -2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.558 -11.700 -3.395 1.00 0.00 H new ATOM 502 N GLN A 39 -8.726 -5.574 -5.499 1.00 0.00 N ATOM 503 CA GLN A 39 -7.772 -5.154 -6.531 1.00 0.00 C ATOM 504 C GLN A 39 -6.935 -3.937 -6.117 1.00 0.00 C ATOM 505 O GLN A 39 -5.711 -3.980 -6.260 1.00 0.00 O ATOM 506 CB GLN A 39 -8.512 -4.882 -7.854 1.00 0.00 C ATOM 507 CG GLN A 39 -8.924 -6.187 -8.565 1.00 0.00 C ATOM 508 CD GLN A 39 -9.837 -5.927 -9.762 1.00 0.00 C ATOM 509 OE1 GLN A 39 -9.428 -5.960 -10.917 1.00 0.00 O ATOM 510 NE2 GLN A 39 -11.105 -5.655 -9.532 1.00 0.00 N ATOM 0 H GLN A 39 -9.701 -5.462 -5.778 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.069 -5.975 -6.668 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.400 -4.281 -7.656 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.872 -4.296 -8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.031 -6.715 -8.899 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.433 -6.840 -7.856 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.455 -5.625 -8.574 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.737 -5.474 -10.312 1.00 0.00 H new ATOM 519 N LEU A 40 -7.547 -2.878 -5.572 1.00 0.00 N ATOM 520 CA LEU A 40 -6.817 -1.694 -5.102 1.00 0.00 C ATOM 521 C LEU A 40 -5.840 -2.026 -3.963 1.00 0.00 C ATOM 522 O LEU A 40 -4.665 -1.662 -4.024 1.00 0.00 O ATOM 523 CB LEU A 40 -7.811 -0.614 -4.627 1.00 0.00 C ATOM 524 CG LEU A 40 -8.556 0.126 -5.755 1.00 0.00 C ATOM 525 CD1 LEU A 40 -9.715 0.945 -5.179 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.626 1.072 -6.519 1.00 0.00 C ATOM 0 H LEU A 40 -8.557 -2.818 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.233 -1.322 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.546 -1.081 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.270 0.118 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.933 -0.632 -6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.232 1.462 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.412 0.280 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.327 1.676 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.187 1.576 -7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.218 1.814 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.811 0.501 -6.963 1.00 0.00 H new ATOM 538 N LEU A 41 -6.320 -2.720 -2.929 1.00 0.00 N ATOM 539 CA LEU A 41 -5.579 -2.926 -1.687 1.00 0.00 C ATOM 540 C LEU A 41 -4.465 -3.983 -1.829 1.00 0.00 C ATOM 541 O LEU A 41 -3.393 -3.824 -1.237 1.00 0.00 O ATOM 542 CB LEU A 41 -6.620 -3.234 -0.590 1.00 0.00 C ATOM 543 CG LEU A 41 -6.115 -3.169 0.858 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.552 -1.792 1.214 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.269 -3.451 1.823 1.00 0.00 C ATOM 0 H LEU A 41 -7.241 -3.158 -2.932 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.025 -2.029 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.448 -2.533 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.022 -4.231 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.324 -3.914 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.208 -1.796 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.716 -1.559 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.330 -1.038 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.905 -3.404 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.052 -2.706 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.673 -4.444 1.627 1.00 0.00 H new ATOM 557 N ALA A 42 -4.662 -5.008 -2.668 1.00 0.00 N ATOM 558 CA ALA A 42 -3.615 -5.983 -2.999 1.00 0.00 C ATOM 559 C ALA A 42 -2.483 -5.392 -3.863 1.00 0.00 C ATOM 560 O ALA A 42 -1.329 -5.811 -3.739 1.00 0.00 O ATOM 561 CB ALA A 42 -4.251 -7.193 -3.695 1.00 0.00 C ATOM 0 H ALA A 42 -5.551 -5.185 -3.136 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.148 -6.290 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.477 -7.919 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.981 -7.654 -3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.748 -6.867 -4.609 1.00 0.00 H new ATOM 567 N LYS A 43 -2.775 -4.400 -4.717 1.00 0.00 N ATOM 568 CA LYS A 43 -1.794 -3.727 -5.581 1.00 0.00 C ATOM 569 C LYS A 43 -0.771 -2.926 -4.766 1.00 0.00 C ATOM 570 O LYS A 43 0.433 -3.044 -5.009 1.00 0.00 O ATOM 571 CB LYS A 43 -2.581 -2.874 -6.588 1.00 0.00 C ATOM 572 CG LYS A 43 -1.708 -2.331 -7.718 1.00 0.00 C ATOM 573 CD LYS A 43 -2.558 -1.576 -8.746 1.00 0.00 C ATOM 574 CE LYS A 43 -1.681 -0.940 -9.833 1.00 0.00 C ATOM 575 NZ LYS A 43 -2.511 -0.383 -10.929 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.721 -4.035 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.192 -4.455 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.386 -3.474 -7.014 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.048 -2.040 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.948 -1.666 -7.309 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.184 -3.153 -8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.271 -2.261 -9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.138 -0.802 -8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.071 -0.149 -9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.995 -1.686 -10.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.894 0.041 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.074 -1.144 -11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.148 0.345 -10.547 1.00 0.00 H new ATOM 589 N SER A 44 -1.219 -2.197 -3.744 1.00 0.00 N ATOM 590 CA SER A 44 -0.330 -1.542 -2.767 1.00 0.00 C ATOM 591 C SER A 44 0.496 -2.544 -1.950 1.00 0.00 C ATOM 592 O SER A 44 1.702 -2.349 -1.778 1.00 0.00 O ATOM 593 CB SER A 44 -1.137 -0.653 -1.822 1.00 0.00 C ATOM 594 OG SER A 44 -1.790 0.371 -2.550 1.00 0.00 O ATOM 0 H SER A 44 -2.211 -2.040 -3.564 1.00 0.00 H new ATOM 0 HA SER A 44 0.368 -0.935 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.872 -1.253 -1.286 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.478 -0.213 -1.074 1.00 0.00 H new ATOM 0 HG SER A 44 -2.305 0.933 -1.934 1.00 0.00 H new ATOM 600 N LEU A 45 -0.102 -3.656 -1.507 1.00 0.00 N ATOM 601 CA LEU A 45 0.598 -4.738 -0.800 1.00 0.00 C ATOM 602 C LEU A 45 1.706 -5.372 -1.663 1.00 0.00 C ATOM 603 O LEU A 45 2.819 -5.600 -1.178 1.00 0.00 O ATOM 604 CB LEU A 45 -0.467 -5.736 -0.280 1.00 0.00 C ATOM 605 CG LEU A 45 0.001 -6.956 0.536 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.469 -8.126 -0.331 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.082 -6.615 1.565 1.00 0.00 C ATOM 0 H LEU A 45 -1.099 -3.833 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 45 1.141 -4.348 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.172 -5.177 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.021 -6.107 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.894 -7.272 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.784 -8.950 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.350 -8.456 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.307 -7.807 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.367 -7.517 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.954 -6.207 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.695 -5.878 2.268 1.00 0.00 H new ATOM 619 N THR A 46 1.448 -5.586 -2.953 1.00 0.00 N ATOM 620 CA THR A 46 2.449 -6.088 -3.908 1.00 0.00 C ATOM 621 C THR A 46 3.640 -5.128 -4.038 1.00 0.00 C ATOM 622 O THR A 46 4.788 -5.572 -4.025 1.00 0.00 O ATOM 623 CB THR A 46 1.803 -6.346 -5.281 1.00 0.00 C ATOM 624 OG1 THR A 46 0.793 -7.330 -5.171 1.00 0.00 O ATOM 625 CG2 THR A 46 2.797 -6.854 -6.328 1.00 0.00 C ATOM 0 H THR A 46 0.534 -5.416 -3.372 1.00 0.00 H new ATOM 0 HA THR A 46 2.832 -7.032 -3.521 1.00 0.00 H new ATOM 0 HB THR A 46 1.405 -5.383 -5.601 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.018 -6.952 -4.705 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.279 -7.016 -7.273 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.586 -6.115 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.235 -7.793 -5.989 1.00 0.00 H new ATOM 633 N GLU A 47 3.402 -3.813 -4.102 1.00 0.00 N ATOM 634 CA GLU A 47 4.475 -2.816 -4.228 1.00 0.00 C ATOM 635 C GLU A 47 5.373 -2.728 -2.976 1.00 0.00 C ATOM 636 O GLU A 47 6.587 -2.549 -3.110 1.00 0.00 O ATOM 637 CB GLU A 47 3.864 -1.457 -4.610 1.00 0.00 C ATOM 638 CG GLU A 47 4.878 -0.331 -4.889 1.00 0.00 C ATOM 639 CD GLU A 47 5.770 -0.550 -6.135 1.00 0.00 C ATOM 640 OE1 GLU A 47 6.611 0.331 -6.428 1.00 0.00 O ATOM 641 OE2 GLU A 47 5.635 -1.573 -6.844 1.00 0.00 O1- ATOM 0 H GLU A 47 2.466 -3.410 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 47 5.145 -3.138 -5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.245 -1.593 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.203 -1.136 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.334 0.606 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.521 -0.216 -4.016 1.00 0.00 H new ATOM 648 N ILE A 48 4.826 -2.941 -1.768 1.00 0.00 N ATOM 649 CA ILE A 48 5.629 -3.063 -0.536 1.00 0.00 C ATOM 650 C ILE A 48 6.620 -4.235 -0.664 1.00 0.00 C ATOM 651 O ILE A 48 7.814 -4.075 -0.404 1.00 0.00 O ATOM 652 CB ILE A 48 4.731 -3.252 0.716 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.817 -2.030 0.962 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.582 -3.531 1.973 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.635 -2.338 1.893 1.00 0.00 C ATOM 0 H ILE A 48 3.822 -3.033 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 48 6.185 -2.135 -0.407 1.00 0.00 H new ATOM 0 HB ILE A 48 4.095 -4.115 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.409 -1.222 1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.435 -1.672 0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.927 -3.659 2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.166 -4.439 1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.255 -2.692 2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.032 -1.439 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.022 -3.125 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.011 -2.668 2.861 1.00 0.00 H new ATOM 667 N LYS A 49 6.149 -5.408 -1.113 1.00 0.00 N ATOM 668 CA LYS A 49 6.971 -6.615 -1.307 1.00 0.00 C ATOM 669 C LYS A 49 8.035 -6.442 -2.397 1.00 0.00 C ATOM 670 O LYS A 49 9.161 -6.909 -2.217 1.00 0.00 O ATOM 671 CB LYS A 49 6.060 -7.821 -1.590 1.00 0.00 C ATOM 672 CG LYS A 49 5.240 -8.215 -0.351 1.00 0.00 C ATOM 673 CD LYS A 49 4.273 -9.359 -0.673 1.00 0.00 C ATOM 674 CE LYS A 49 3.432 -9.782 0.539 1.00 0.00 C ATOM 675 NZ LYS A 49 4.248 -10.449 1.592 1.00 0.00 N1+ ATOM 0 H LYS A 49 5.168 -5.548 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 49 7.523 -6.794 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.386 -7.583 -2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.666 -8.668 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.911 -8.517 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.680 -7.352 0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.609 -9.052 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.839 -10.217 -1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.944 -8.905 0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.643 -10.459 0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.679 -11.183 2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.086 -10.886 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.550 -9.745 2.295 1.00 0.00 H new ATOM 689 N ARG A 50 7.739 -5.710 -3.482 1.00 0.00 N ATOM 690 CA ARG A 50 8.726 -5.357 -4.528 1.00 0.00 C ATOM 691 C ARG A 50 9.874 -4.500 -3.982 1.00 0.00 C ATOM 692 O ARG A 50 11.036 -4.762 -4.300 1.00 0.00 O ATOM 693 CB ARG A 50 8.052 -4.643 -5.713 1.00 0.00 C ATOM 694 CG ARG A 50 7.176 -5.592 -6.556 1.00 0.00 C ATOM 695 CD ARG A 50 6.549 -4.881 -7.765 1.00 0.00 C ATOM 696 NE ARG A 50 7.556 -4.577 -8.806 1.00 0.00 N ATOM 697 CZ ARG A 50 7.990 -3.392 -9.198 1.00 0.00 C ATOM 698 NH1 ARG A 50 7.572 -2.264 -8.702 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 8.893 -3.325 -10.133 1.00 0.00 N ATOM 0 H ARG A 50 6.805 -5.342 -3.664 1.00 0.00 H new ATOM 0 HA ARG A 50 9.152 -6.297 -4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.438 -3.825 -5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.818 -4.200 -6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.781 -6.430 -6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.386 -6.006 -5.930 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.765 -5.508 -8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.074 -3.956 -7.437 1.00 0.00 H new ATOM 0 HE ARG A 50 7.966 -5.382 -9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.867 -2.261 -7.965 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.949 -1.383 -9.050 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.256 -4.180 -10.553 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.237 -2.417 -10.445 1.00 0.00 H new ATOM 713 N LEU A 51 9.578 -3.528 -3.114 1.00 0.00 N ATOM 714 CA LEU A 51 10.581 -2.705 -2.417 1.00 0.00 C ATOM 715 C LEU A 51 11.422 -3.557 -1.444 1.00 0.00 C ATOM 716 O LEU A 51 12.657 -3.498 -1.464 1.00 0.00 O ATOM 717 CB LEU A 51 9.873 -1.557 -1.649 1.00 0.00 C ATOM 718 CG LEU A 51 9.939 -0.162 -2.300 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.372 0.374 -2.347 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.343 -0.143 -3.707 1.00 0.00 C ATOM 0 H LEU A 51 8.618 -3.284 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 51 11.256 -2.282 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.825 -1.826 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.309 -1.491 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 51 9.336 0.488 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.377 1.359 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.765 0.450 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.996 -0.305 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.415 0.863 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.892 -0.836 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.296 -0.443 -3.663 1.00 0.00 H new ATOM 732 N LYS A 52 10.764 -4.370 -0.611 1.00 0.00 N ATOM 733 CA LYS A 52 11.436 -5.192 0.406 1.00 0.00 C ATOM 734 C LYS A 52 12.344 -6.278 -0.172 1.00 0.00 C ATOM 735 O LYS A 52 13.395 -6.537 0.406 1.00 0.00 O ATOM 736 CB LYS A 52 10.398 -5.809 1.354 1.00 0.00 C ATOM 737 CG LYS A 52 9.855 -4.744 2.311 1.00 0.00 C ATOM 738 CD LYS A 52 8.943 -5.380 3.363 1.00 0.00 C ATOM 739 CE LYS A 52 8.427 -4.304 4.326 1.00 0.00 C ATOM 740 NZ LYS A 52 7.782 -4.927 5.501 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.750 -4.478 -0.621 1.00 0.00 H new ATOM 0 HA LYS A 52 12.093 -4.519 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.580 -6.241 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.851 -6.621 1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.683 -4.232 2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.302 -3.991 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.104 -5.877 2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.489 -6.144 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.253 -3.671 4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.714 -3.659 3.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.168 -4.231 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.211 -5.740 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.512 -5.250 6.168 1.00 0.00 H new ATOM 754 N ALA A 53 12.005 -6.859 -1.327 1.00 0.00 N ATOM 755 CA ALA A 53 12.836 -7.860 -1.999 1.00 0.00 C ATOM 756 C ALA A 53 14.241 -7.323 -2.356 1.00 0.00 C ATOM 757 O ALA A 53 15.242 -8.013 -2.140 1.00 0.00 O ATOM 758 CB ALA A 53 12.091 -8.360 -3.243 1.00 0.00 C ATOM 0 H ALA A 53 11.140 -6.646 -1.824 1.00 0.00 H new ATOM 0 HA ALA A 53 13.006 -8.690 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.698 -9.107 -3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.142 -8.806 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.903 -7.523 -3.915 1.00 0.00 H new ATOM 764 N ALA A 54 14.331 -6.076 -2.842 1.00 0.00 N ATOM 765 CA ALA A 54 15.599 -5.409 -3.138 1.00 0.00 C ATOM 766 C ALA A 54 16.374 -5.021 -1.861 1.00 0.00 C ATOM 767 O ALA A 54 17.579 -5.270 -1.771 1.00 0.00 O ATOM 768 CB ALA A 54 15.305 -4.183 -4.014 1.00 0.00 C ATOM 0 H ALA A 54 13.514 -5.499 -3.041 1.00 0.00 H new ATOM 0 HA ALA A 54 16.248 -6.102 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.238 -3.670 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.826 -4.503 -4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.642 -3.504 -3.479 1.00 0.00 H new ATOM 774 N ASN A 55 15.683 -4.467 -0.857 1.00 0.00 N ATOM 775 CA ASN A 55 16.277 -4.035 0.414 1.00 0.00 C ATOM 776 C ASN A 55 16.840 -5.229 1.220 1.00 0.00 C ATOM 777 O ASN A 55 17.959 -5.176 1.724 1.00 0.00 O ATOM 778 CB ASN A 55 15.195 -3.244 1.178 1.00 0.00 C ATOM 779 CG ASN A 55 15.740 -2.367 2.297 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.704 -2.679 2.975 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.133 -1.221 2.525 1.00 0.00 N ATOM 0 H ASN A 55 14.677 -4.304 -0.906 1.00 0.00 H new ATOM 0 HA ASN A 55 17.139 -3.392 0.239 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.652 -2.617 0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.476 -3.947 1.599 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.470 -0.603 3.263 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.326 -0.951 1.963 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.410 -13.745 -0.635 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.395 -12.983 0.131 1.00 0.00 C ATOM 1056 C PRO B 110 -9.749 -11.860 0.953 1.00 0.00 C ATOM 1057 O PRO B 110 -8.587 -11.946 1.360 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.124 -13.999 1.016 1.00 0.00 C ATOM 1059 CG PRO B 110 -10.098 -15.117 1.181 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.395 -15.127 -0.173 1.00 0.00 C ATOM 0 HA PRO B 110 -11.093 -12.473 -0.533 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.407 -13.567 1.976 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -12.039 -14.359 0.546 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.404 -14.913 1.996 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.573 -16.074 1.398 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.374 -15.498 -0.081 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -9.910 -15.781 -0.877 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.517 -10.796 1.206 1.00 0.00 N ATOM 1069 CA ILE B 111 -9.995 -9.552 1.794 1.00 0.00 C ATOM 1070 C ILE B 111 -9.399 -9.720 3.203 1.00 0.00 C ATOM 1071 O ILE B 111 -8.472 -9.000 3.573 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.059 -8.436 1.729 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.393 -7.075 2.035 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.257 -8.696 2.658 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -11.150 -5.880 1.473 1.00 0.00 C ATOM 0 H ILE B 111 -11.518 -10.770 1.010 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.145 -9.253 1.181 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.468 -8.422 0.719 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.302 -6.960 3.115 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -9.382 -7.076 1.628 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -12.971 -7.877 2.569 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.740 -9.631 2.376 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -11.910 -8.764 3.689 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -10.621 -4.962 1.728 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -11.218 -5.970 0.389 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.153 -5.852 1.899 1.00 0.00 H new ATOM 1087 N ASP B 112 -9.861 -10.716 3.965 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.312 -11.053 5.287 1.00 0.00 C ATOM 1089 C ASP B 112 -7.836 -11.494 5.231 1.00 0.00 C ATOM 1090 O ASP B 112 -7.110 -11.310 6.205 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.164 -12.159 5.933 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.627 -11.769 6.213 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -12.472 -12.690 6.328 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -11.939 -10.564 6.375 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.634 -11.318 3.681 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.347 -10.146 5.890 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -10.154 -13.033 5.281 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -9.696 -12.456 6.872 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.370 -12.040 4.100 1.00 0.00 N ATOM 1100 CA GLU B 113 -5.963 -12.400 3.891 1.00 0.00 C ATOM 1101 C GLU B 113 -5.123 -11.167 3.523 1.00 0.00 C ATOM 1102 O GLU B 113 -4.163 -10.854 4.230 1.00 0.00 O ATOM 1103 CB GLU B 113 -5.835 -13.504 2.828 1.00 0.00 C ATOM 1104 CG GLU B 113 -6.491 -14.835 3.236 1.00 0.00 C ATOM 1105 CD GLU B 113 -5.894 -15.442 4.524 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -4.654 -15.432 4.704 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -6.666 -15.965 5.368 1.00 0.00 O1- ATOM 0 H GLU B 113 -7.965 -12.246 3.298 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.571 -12.793 4.829 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.287 -13.156 1.899 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -4.779 -13.678 2.623 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -7.560 -14.676 3.379 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -6.382 -15.551 2.421 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.482 -10.420 2.468 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.673 -9.275 2.008 1.00 0.00 C ATOM 1116 C LEU B 114 -4.621 -8.124 3.044 1.00 0.00 C ATOM 1117 O LEU B 114 -3.575 -7.494 3.217 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.121 -8.826 0.607 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.530 -8.223 0.515 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.476 -6.703 0.426 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.266 -8.723 -0.721 1.00 0.00 C ATOM 0 H LEU B 114 -6.324 -10.585 1.917 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.639 -9.607 1.919 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.407 -8.090 0.237 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -5.070 -9.685 -0.062 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.054 -8.532 1.419 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.489 -6.306 0.362 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -5.985 -6.304 1.314 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -5.915 -6.410 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.260 -8.278 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.709 -8.441 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.356 -9.808 -0.677 1.00 0.00 H new ATOM 1133 N SER B 115 -5.709 -7.896 3.789 1.00 0.00 N ATOM 1134 CA SER B 115 -5.774 -6.937 4.907 1.00 0.00 C ATOM 1135 C SER B 115 -4.908 -7.347 6.113 1.00 0.00 C ATOM 1136 O SER B 115 -4.313 -6.485 6.765 1.00 0.00 O ATOM 1137 CB SER B 115 -7.233 -6.767 5.342 1.00 0.00 C ATOM 1138 OG SER B 115 -7.351 -5.885 6.447 1.00 0.00 O ATOM 0 H SER B 115 -6.591 -8.383 3.631 1.00 0.00 H new ATOM 0 HA SER B 115 -5.368 -5.992 4.545 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.820 -6.385 4.507 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.650 -7.739 5.606 1.00 0.00 H new ATOM 0 HG SER B 115 -8.295 -5.798 6.697 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.786 -8.649 6.398 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.861 -9.152 7.414 1.00 0.00 C ATOM 1146 C ALA B 116 -2.398 -9.074 6.948 1.00 0.00 C ATOM 1147 O ALA B 116 -1.521 -8.707 7.729 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.259 -10.587 7.783 1.00 0.00 C ATOM 0 H ALA B 116 -5.325 -9.379 5.931 1.00 0.00 H new ATOM 0 HA ALA B 116 -3.931 -8.520 8.299 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.575 -10.971 8.540 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.276 -10.593 8.176 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.209 -11.218 6.896 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.125 -9.358 5.666 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.783 -9.293 5.077 1.00 0.00 C ATOM 1156 C LEU B 117 -0.205 -7.869 5.087 1.00 0.00 C ATOM 1157 O LEU B 117 0.942 -7.703 5.505 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.809 -9.880 3.653 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.305 -11.332 3.564 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.057 -12.317 4.460 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.408 -11.823 2.118 1.00 0.00 C ATOM 0 H LEU B 117 -2.843 -9.644 5.000 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.117 -9.894 5.696 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.829 -9.837 3.272 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.199 -9.254 3.002 1.00 0.00 H new ATOM 0 HG LEU B 117 0.727 -11.307 3.914 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.638 -13.315 4.335 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.959 -12.010 5.501 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.111 -12.329 4.183 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.051 -12.851 2.057 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.447 -11.780 1.792 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.201 -11.188 1.474 1.00 0.00 H new ATOM 1173 N LEU B 118 -0.963 -6.831 4.709 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.444 -5.453 4.752 1.00 0.00 C ATOM 1175 C LEU B 118 -0.175 -4.970 6.184 1.00 0.00 C ATOM 1176 O LEU B 118 0.820 -4.281 6.417 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.331 -4.511 3.917 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.751 -4.230 4.449 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.820 -3.013 5.379 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.686 -3.936 3.283 1.00 0.00 C ATOM 0 H LEU B 118 -1.923 -6.914 4.375 1.00 0.00 H new ATOM 0 HA LEU B 118 0.539 -5.441 4.280 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.812 -3.558 3.817 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.422 -4.931 2.915 1.00 0.00 H new ATOM 0 HG LEU B 118 -3.041 -5.121 5.007 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.846 -2.871 5.717 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -2.173 -3.177 6.241 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.490 -2.125 4.841 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.689 -3.738 3.662 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.325 -3.064 2.738 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.714 -4.796 2.614 1.00 0.00 H new ATOM 1192 N ARG B 119 -0.994 -5.387 7.162 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.747 -5.117 8.590 1.00 0.00 C ATOM 1194 C ARG B 119 0.498 -5.846 9.094 1.00 0.00 C ATOM 1195 O ARG B 119 1.347 -5.214 9.720 1.00 0.00 O ATOM 1196 CB ARG B 119 -1.998 -5.462 9.411 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.035 -4.338 9.314 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.284 -4.665 10.138 1.00 0.00 C ATOM 1199 NE ARG B 119 -5.192 -5.589 9.428 1.00 0.00 N ATOM 1200 CZ ARG B 119 -6.208 -6.245 9.959 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -6.392 -6.336 11.245 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -7.089 -6.818 9.196 1.00 0.00 N ATOM 0 H ARG B 119 -1.846 -5.920 6.987 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.546 -4.053 8.715 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.431 -6.395 9.050 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -1.723 -5.621 10.454 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -2.597 -3.404 9.667 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.314 -4.185 8.271 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -3.985 -5.109 11.087 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.816 -3.743 10.371 1.00 0.00 H new ATOM 0 HE ARG B 119 -5.018 -5.734 8.434 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -5.737 -5.890 11.887 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -7.191 -6.853 11.610 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -6.998 -6.763 8.182 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -7.872 -7.323 9.611 1.00 0.00 H new ATOM 1216 N GLN B 120 0.662 -7.121 8.747 1.00 0.00 N ATOM 1217 CA GLN B 120 1.833 -7.929 9.071 1.00 0.00 C ATOM 1218 C GLN B 120 3.129 -7.365 8.465 1.00 0.00 C ATOM 1219 O GLN B 120 4.151 -7.321 9.146 1.00 0.00 O ATOM 1220 CB GLN B 120 1.524 -9.371 8.628 1.00 0.00 C ATOM 1221 CG GLN B 120 2.662 -10.346 8.948 1.00 0.00 C ATOM 1222 CD GLN B 120 2.392 -11.811 8.580 1.00 0.00 C ATOM 1223 OE1 GLN B 120 3.310 -12.605 8.404 1.00 0.00 O ATOM 1224 NE2 GLN B 120 1.157 -12.242 8.432 1.00 0.00 N ATOM 0 H GLN B 120 -0.040 -7.636 8.215 1.00 0.00 H new ATOM 0 HA GLN B 120 2.024 -7.910 10.144 1.00 0.00 H new ATOM 0 HB2 GLN B 120 0.612 -9.710 9.119 1.00 0.00 H new ATOM 0 HB3 GLN B 120 1.331 -9.384 7.555 1.00 0.00 H new ATOM 0 HG2 GLN B 120 3.559 -10.016 8.424 1.00 0.00 H new ATOM 0 HG3 GLN B 120 2.877 -10.290 10.015 1.00 0.00 H new ATOM 0 HE21 GLN B 120 0.374 -11.604 8.572 1.00 0.00 H new ATOM 0 HE22 GLN B 120 0.983 -13.214 8.177 1.00 0.00 H new ATOM 1233 N GLU B 121 3.090 -6.856 7.226 1.00 0.00 N ATOM 1234 CA GLU B 121 4.217 -6.159 6.590 1.00 0.00 C ATOM 1235 C GLU B 121 4.593 -4.853 7.319 1.00 0.00 C ATOM 1236 O GLU B 121 5.783 -4.570 7.488 1.00 0.00 O ATOM 1237 CB GLU B 121 3.902 -5.866 5.114 1.00 0.00 C ATOM 1238 CG GLU B 121 3.985 -7.097 4.192 1.00 0.00 C ATOM 1239 CD GLU B 121 5.400 -7.679 4.017 1.00 0.00 C ATOM 1240 OE1 GLU B 121 5.533 -8.716 3.323 1.00 0.00 O ATOM 1241 OE2 GLU B 121 6.383 -7.124 4.565 1.00 0.00 O1- ATOM 0 H GLU B 121 2.265 -6.917 6.630 1.00 0.00 H new ATOM 0 HA GLU B 121 5.078 -6.825 6.655 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.900 -5.442 5.046 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.595 -5.107 4.750 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.334 -7.876 4.589 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.595 -6.826 3.211 1.00 0.00 H new ATOM 1248 N MET B 122 3.610 -4.093 7.817 1.00 0.00 N ATOM 1249 CA MET B 122 3.832 -2.928 8.688 1.00 0.00 C ATOM 1250 C MET B 122 4.203 -3.291 10.148 1.00 0.00 C ATOM 1251 O MET B 122 4.530 -2.397 10.938 1.00 0.00 O ATOM 1252 CB MET B 122 2.590 -2.027 8.646 1.00 0.00 C ATOM 1253 CG MET B 122 2.501 -1.270 7.316 1.00 0.00 C ATOM 1254 SD MET B 122 1.121 -0.097 7.189 1.00 0.00 S ATOM 1255 CE MET B 122 -0.205 -1.254 6.763 1.00 0.00 C ATOM 0 H MET B 122 2.624 -4.271 7.625 1.00 0.00 H new ATOM 0 HA MET B 122 4.701 -2.398 8.298 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.694 -2.632 8.784 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.625 -1.316 9.471 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.434 -0.728 7.161 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.416 -1.996 6.507 1.00 0.00 H new ATOM 0 HE1 MET B 122 -1.171 -0.787 6.954 1.00 0.00 H new ATOM 0 HE2 MET B 122 -0.132 -1.519 5.708 1.00 0.00 H new ATOM 0 HE3 MET B 122 -0.111 -2.154 7.370 1.00 0.00 H new ATOM 1349 N SER B 133 -17.293 -0.369 5.169 1.00 0.00 N ATOM 1350 CA SER B 133 -17.656 1.050 5.100 1.00 0.00 C ATOM 1351 C SER B 133 -16.548 1.907 4.458 1.00 0.00 C ATOM 1352 O SER B 133 -15.373 1.533 4.483 1.00 0.00 O ATOM 1353 CB SER B 133 -17.964 1.579 6.508 1.00 0.00 C ATOM 1354 OG SER B 133 -19.029 0.845 7.105 1.00 0.00 O ATOM 0 HA SER B 133 -18.541 1.127 4.468 1.00 0.00 H new ATOM 0 HB2 SER B 133 -17.073 1.506 7.131 1.00 0.00 H new ATOM 0 HB3 SER B 133 -18.230 2.635 6.454 1.00 0.00 H new ATOM 0 HG SER B 133 -19.059 -0.057 6.723 1.00 0.00 H new ATOM 1360 N MET B 134 -16.903 3.082 3.920 1.00 0.00 N ATOM 1361 CA MET B 134 -15.953 3.987 3.249 1.00 0.00 C ATOM 1362 C MET B 134 -14.788 4.436 4.146 1.00 0.00 C ATOM 1363 O MET B 134 -13.670 4.607 3.665 1.00 0.00 O ATOM 1364 CB MET B 134 -16.692 5.203 2.660 1.00 0.00 C ATOM 1365 CG MET B 134 -17.074 4.941 1.194 1.00 0.00 C ATOM 1366 SD MET B 134 -15.648 4.936 0.067 1.00 0.00 S ATOM 1367 CE MET B 134 -16.373 4.147 -1.398 1.00 0.00 C ATOM 0 H MET B 134 -17.860 3.435 3.937 1.00 0.00 H new ATOM 0 HA MET B 134 -15.502 3.411 2.441 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.589 5.410 3.244 1.00 0.00 H new ATOM 0 HB3 MET B 134 -16.059 6.088 2.725 1.00 0.00 H new ATOM 0 HG2 MET B 134 -17.585 3.981 1.125 1.00 0.00 H new ATOM 0 HG3 MET B 134 -17.782 5.703 0.869 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.619 4.072 -2.181 1.00 0.00 H new ATOM 0 HE2 MET B 134 -16.726 3.149 -1.137 1.00 0.00 H new ATOM 0 HE3 MET B 134 -17.210 4.746 -1.757 1.00 0.00 H new ATOM 1377 N GLN B 135 -15.000 4.554 5.459 1.00 0.00 N ATOM 1378 CA GLN B 135 -13.928 4.877 6.405 1.00 0.00 C ATOM 1379 C GLN B 135 -12.909 3.732 6.583 1.00 0.00 C ATOM 1380 O GLN B 135 -11.741 3.994 6.871 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.532 5.254 7.769 1.00 0.00 C ATOM 1382 CG GLN B 135 -15.427 6.505 7.689 1.00 0.00 C ATOM 1383 CD GLN B 135 -15.990 6.916 9.048 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -17.186 6.831 9.311 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -15.168 7.380 9.969 1.00 0.00 N ATOM 0 H GLN B 135 -15.914 4.429 5.895 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.382 5.722 5.985 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -15.117 4.416 8.149 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -13.728 5.431 8.483 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -14.851 7.332 7.274 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -16.251 6.314 7.002 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -14.171 7.458 9.770 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -15.530 7.661 10.881 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.307 2.469 6.401 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.415 1.305 6.514 1.00 0.00 C ATOM 1396 C ASP B 136 -11.458 1.209 5.312 1.00 0.00 C ATOM 1397 O ASP B 136 -10.238 1.102 5.489 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.217 -0.006 6.648 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.215 -0.071 7.812 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -14.097 0.700 8.797 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -15.118 -0.938 7.759 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.269 2.221 6.168 1.00 0.00 H new ATOM 0 HA ASP B 136 -11.823 1.447 7.418 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -13.762 -0.171 5.719 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -12.512 -0.830 6.754 1.00 0.00 H new ATOM 1406 N ILE B 137 -11.999 1.310 4.090 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.227 1.247 2.841 1.00 0.00 C ATOM 1408 C ILE B 137 -10.229 2.410 2.712 1.00 0.00 C ATOM 1409 O ILE B 137 -9.078 2.169 2.355 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.170 1.139 1.617 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.379 1.070 0.289 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.218 2.254 1.557 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -12.254 0.803 -0.945 1.00 0.00 C ATOM 0 H ILE B 137 -12.999 1.440 3.939 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.624 0.340 2.871 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.712 0.203 1.750 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.845 2.009 0.147 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.627 0.284 0.366 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.844 2.117 0.676 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.839 2.219 2.452 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.718 3.221 1.500 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.626 0.769 -1.836 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.768 -0.151 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.989 1.601 -1.049 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.623 3.640 3.070 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.717 4.800 3.031 1.00 0.00 C ATOM 1427 C GLN B 138 -8.518 4.618 3.976 1.00 0.00 C ATOM 1428 O GLN B 138 -7.382 4.855 3.568 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.481 6.093 3.359 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.392 6.555 2.208 1.00 0.00 C ATOM 1431 CD GLN B 138 -12.067 7.900 2.494 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -13.283 8.020 2.575 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.325 8.972 2.678 1.00 0.00 N ATOM 0 H GLN B 138 -11.566 3.859 3.391 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.323 4.877 2.018 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.084 5.936 4.253 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.767 6.883 3.591 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.804 6.635 1.294 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -12.157 5.799 2.030 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.309 8.906 2.617 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -11.766 9.869 2.881 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.742 4.151 5.215 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.666 3.916 6.189 1.00 0.00 C ATOM 1444 C GLN B 139 -6.713 2.787 5.759 1.00 0.00 C ATOM 1445 O GLN B 139 -5.497 2.984 5.757 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.259 3.643 7.581 1.00 0.00 C ATOM 1447 CG GLN B 139 -8.820 4.928 8.213 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.502 4.649 9.552 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -8.944 4.846 10.622 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -10.726 4.164 9.540 1.00 0.00 N ATOM 0 H GLN B 139 -9.672 3.926 5.568 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.064 4.824 6.233 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.051 2.899 7.501 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.491 3.222 8.229 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -8.012 5.645 8.359 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.534 5.388 7.530 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -11.199 3.996 8.652 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -11.201 3.956 10.418 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.232 1.622 5.354 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.406 0.486 4.913 1.00 0.00 C ATOM 1461 C LEU B 140 -5.559 0.829 3.680 1.00 0.00 C ATOM 1462 O LEU B 140 -4.355 0.565 3.657 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.301 -0.734 4.626 1.00 0.00 C ATOM 1464 CG LEU B 140 -7.924 -1.380 5.879 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -9.033 -2.354 5.468 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -6.890 -2.167 6.688 1.00 0.00 C ATOM 0 H LEU B 140 -8.235 1.438 5.322 1.00 0.00 H new ATOM 0 HA LEU B 140 -5.715 0.248 5.721 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.103 -0.430 3.953 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -6.711 -1.485 4.101 1.00 0.00 H new ATOM 0 HG LEU B 140 -8.319 -0.570 6.492 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -9.468 -2.807 6.359 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -9.806 -1.815 4.920 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -8.615 -3.134 4.832 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -7.370 -2.606 7.563 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -6.470 -2.959 6.068 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -6.093 -1.497 7.010 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.166 1.461 2.670 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.500 1.809 1.412 1.00 0.00 C ATOM 1480 C LEU B 141 -4.454 2.926 1.593 1.00 0.00 C ATOM 1481 O LEU B 141 -3.369 2.846 1.022 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.599 2.133 0.372 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.141 2.174 -1.096 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.568 0.825 -1.547 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.333 2.469 -2.009 1.00 0.00 C ATOM 0 H LEU B 141 -7.144 1.748 2.704 1.00 0.00 H new ATOM 0 HA LEU B 141 -4.913 0.967 1.045 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.391 1.390 0.465 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.037 3.099 0.623 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.378 2.949 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.255 0.893 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.709 0.569 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.332 0.054 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.999 2.496 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -8.084 1.688 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.766 3.433 -1.742 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.722 3.909 2.463 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.755 4.946 2.836 1.00 0.00 C ATOM 1499 C ALA B 142 -2.569 4.403 3.658 1.00 0.00 C ATOM 1500 O ALA B 142 -1.434 4.804 3.405 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.481 6.060 3.601 1.00 0.00 C ATOM 0 H ALA B 142 -5.623 4.006 2.930 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.325 5.341 1.916 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.767 6.834 3.881 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.255 6.492 2.967 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.938 5.646 4.500 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.789 3.473 4.603 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.701 2.831 5.370 1.00 0.00 C ATOM 1509 C LYS B 143 -0.797 1.976 4.481 1.00 0.00 C ATOM 1510 O LYS B 143 0.423 2.092 4.558 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.260 2.007 6.540 1.00 0.00 C ATOM 1512 CG LYS B 143 -2.727 2.885 7.713 1.00 0.00 C ATOM 1513 CD LYS B 143 -3.173 2.046 8.921 1.00 0.00 C ATOM 1514 CE LYS B 143 -2.017 1.238 9.521 1.00 0.00 C ATOM 1515 NZ LYS B 143 -2.424 0.515 10.754 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.720 3.145 4.858 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.085 3.631 5.780 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.096 1.404 6.187 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -1.494 1.316 6.891 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -1.917 3.550 8.013 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -3.553 3.517 7.386 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -3.590 2.703 9.684 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -3.969 1.367 8.616 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -1.654 0.522 8.784 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -1.188 1.907 9.750 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -1.613 -0.019 11.127 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -2.746 1.200 11.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -3.198 -0.143 10.531 1.00 0.00 H new ATOM 1529 N SER B 144 -1.377 1.170 3.585 1.00 0.00 N ATOM 1530 CA SER B 144 -0.607 0.383 2.611 1.00 0.00 C ATOM 1531 C SER B 144 0.214 1.281 1.664 1.00 0.00 C ATOM 1532 O SER B 144 1.394 1.014 1.424 1.00 0.00 O ATOM 1533 CB SER B 144 -1.555 -0.538 1.838 1.00 0.00 C ATOM 1534 OG SER B 144 -0.826 -1.520 1.122 1.00 0.00 O ATOM 0 H SER B 144 -2.387 1.044 3.513 1.00 0.00 H new ATOM 0 HA SER B 144 0.116 -0.228 3.151 1.00 0.00 H new ATOM 0 HB2 SER B 144 -2.244 -1.022 2.530 1.00 0.00 H new ATOM 0 HB3 SER B 144 -2.158 0.050 1.147 1.00 0.00 H new ATOM 0 HG SER B 144 -1.444 -2.193 0.767 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.352 2.411 1.214 1.00 0.00 N ATOM 1541 CA LEU B 145 0.365 3.449 0.457 1.00 0.00 C ATOM 1542 C LEU B 145 1.499 4.105 1.271 1.00 0.00 C ATOM 1543 O LEU B 145 2.606 4.289 0.765 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.695 4.442 -0.078 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.246 5.683 -0.874 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.160 6.855 0.019 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.864 5.391 -1.881 1.00 0.00 C ATOM 0 H LEU B 145 -1.336 2.633 1.368 1.00 0.00 H new ATOM 0 HA LEU B 145 0.895 3.011 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.379 3.878 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.272 4.795 0.777 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.135 5.974 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.466 7.697 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.686 7.150 0.639 1.00 0.00 H new ATOM 0 HD13 LEU B 145 0.991 6.555 0.658 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.130 6.309 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.739 5.006 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.517 4.650 -2.601 1.00 0.00 H new ATOM 1559 N THR B 146 1.273 4.407 2.552 1.00 0.00 N ATOM 1560 CA THR B 146 2.290 4.992 3.456 1.00 0.00 C ATOM 1561 C THR B 146 3.503 4.067 3.631 1.00 0.00 C ATOM 1562 O THR B 146 4.641 4.539 3.633 1.00 0.00 O ATOM 1563 CB THR B 146 1.677 5.338 4.827 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.686 6.337 4.671 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.694 5.891 5.825 1.00 0.00 C ATOM 0 H THR B 146 0.372 4.254 3.004 1.00 0.00 H new ATOM 0 HA THR B 146 2.640 5.912 2.988 1.00 0.00 H new ATOM 0 HB THR B 146 1.274 4.402 5.212 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.099 5.952 4.229 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.195 6.113 6.768 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.477 5.152 5.994 1.00 0.00 H new ATOM 0 HG23 THR B 146 3.137 6.803 5.425 1.00 0.00 H new ATOM 1573 N GLU B 147 3.300 2.748 3.710 1.00 0.00 N ATOM 1574 CA GLU B 147 4.397 1.774 3.827 1.00 0.00 C ATOM 1575 C GLU B 147 5.299 1.727 2.576 1.00 0.00 C ATOM 1576 O GLU B 147 6.512 1.561 2.718 1.00 0.00 O ATOM 1577 CB GLU B 147 3.814 0.395 4.181 1.00 0.00 C ATOM 1578 CG GLU B 147 4.829 -0.748 4.398 1.00 0.00 C ATOM 1579 CD GLU B 147 5.719 -0.625 5.651 1.00 0.00 C ATOM 1580 OE1 GLU B 147 6.418 -1.614 5.972 1.00 0.00 O ATOM 1581 OE2 GLU B 147 5.716 0.435 6.324 1.00 0.00 O1- ATOM 0 H GLU B 147 2.373 2.323 3.695 1.00 0.00 H new ATOM 0 HA GLU B 147 5.056 2.097 4.633 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.219 0.499 5.088 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.132 0.098 3.384 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.282 -1.689 4.455 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.474 -0.807 3.521 1.00 0.00 H new ATOM 1588 N ILE B 148 4.765 1.958 1.367 1.00 0.00 N ATOM 1589 CA ILE B 148 5.571 2.089 0.132 1.00 0.00 C ATOM 1590 C ILE B 148 6.525 3.288 0.253 1.00 0.00 C ATOM 1591 O ILE B 148 7.735 3.144 0.056 1.00 0.00 O ATOM 1592 CB ILE B 148 4.679 2.239 -1.132 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.742 1.024 -1.321 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.530 2.454 -2.400 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.593 1.296 -2.295 1.00 0.00 C ATOM 0 H ILE B 148 3.762 2.060 1.212 1.00 0.00 H new ATOM 0 HA ILE B 148 6.150 1.173 0.016 1.00 0.00 H new ATOM 0 HB ILE B 148 4.061 3.123 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.324 0.177 -1.683 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.330 0.737 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.875 2.555 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE B 148 6.126 3.360 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE B 148 6.191 1.600 -2.544 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.972 0.404 -2.384 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.989 2.123 -1.923 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.999 1.554 -3.273 1.00 0.00 H new ATOM 1607 N LYS B 149 5.994 4.462 0.624 1.00 0.00 N ATOM 1608 CA LYS B 149 6.774 5.698 0.820 1.00 0.00 C ATOM 1609 C LYS B 149 7.859 5.526 1.892 1.00 0.00 C ATOM 1610 O LYS B 149 8.997 5.953 1.694 1.00 0.00 O ATOM 1611 CB LYS B 149 5.820 6.850 1.193 1.00 0.00 C ATOM 1612 CG LYS B 149 4.883 7.261 0.045 1.00 0.00 C ATOM 1613 CD LYS B 149 3.883 8.316 0.553 1.00 0.00 C ATOM 1614 CE LYS B 149 2.950 8.834 -0.551 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.633 9.797 -1.451 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.997 4.584 0.799 1.00 0.00 H new ATOM 0 HA LYS B 149 7.284 5.933 -0.114 1.00 0.00 H new ATOM 0 HB2 LYS B 149 5.220 6.552 2.053 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.408 7.715 1.499 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.463 7.664 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.348 6.389 -0.332 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.284 7.885 1.355 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.433 9.155 0.980 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.578 7.993 -1.136 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.083 9.314 -0.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 2.922 10.345 -1.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.221 10.443 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.235 9.278 -2.122 1.00 0.00 H new ATOM 1629 N ARG B 150 7.526 4.859 3.006 1.00 0.00 N ATOM 1630 CA ARG B 150 8.449 4.559 4.118 1.00 0.00 C ATOM 1631 C ARG B 150 9.591 3.622 3.708 1.00 0.00 C ATOM 1632 O ARG B 150 10.741 3.904 4.041 1.00 0.00 O ATOM 1633 CB ARG B 150 7.621 4.009 5.291 1.00 0.00 C ATOM 1634 CG ARG B 150 8.467 3.714 6.542 1.00 0.00 C ATOM 1635 CD ARG B 150 7.612 3.724 7.821 1.00 0.00 C ATOM 1636 NE ARG B 150 6.468 2.793 7.751 1.00 0.00 N ATOM 1637 CZ ARG B 150 5.333 2.866 8.417 1.00 0.00 C ATOM 1638 NH1 ARG B 150 5.073 3.800 9.287 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 4.430 1.963 8.202 1.00 0.00 N ATOM 0 H ARG B 150 6.584 4.503 3.166 1.00 0.00 H new ATOM 0 HA ARG B 150 8.951 5.476 4.427 1.00 0.00 H new ATOM 0 HB2 ARG B 150 6.843 4.728 5.547 1.00 0.00 H new ATOM 0 HB3 ARG B 150 7.118 3.095 4.976 1.00 0.00 H new ATOM 0 HG2 ARG B 150 8.950 2.743 6.434 1.00 0.00 H new ATOM 0 HG3 ARG B 150 9.260 4.456 6.628 1.00 0.00 H new ATOM 0 HD2 ARG B 150 8.238 3.460 8.673 1.00 0.00 H new ATOM 0 HD3 ARG B 150 7.242 4.734 7.998 1.00 0.00 H new ATOM 0 HE ARG B 150 6.568 2.003 7.114 1.00 0.00 H new ATOM 0 HH11 ARG B 150 5.766 4.523 9.481 1.00 0.00 H new ATOM 0 HH12 ARG B 150 4.177 3.808 9.774 1.00 0.00 H new ATOM 0 HH21 ARG B 150 4.605 1.217 7.529 1.00 0.00 H new ATOM 0 HH22 ARG B 150 3.544 1.998 8.705 1.00 0.00 H new ATOM 1653 N LEU B 151 9.319 2.563 2.941 1.00 0.00 N ATOM 1654 CA LEU B 151 10.359 1.662 2.423 1.00 0.00 C ATOM 1655 C LEU B 151 11.251 2.334 1.368 1.00 0.00 C ATOM 1656 O LEU B 151 12.466 2.124 1.392 1.00 0.00 O ATOM 1657 CB LEU B 151 9.718 0.370 1.880 1.00 0.00 C ATOM 1658 CG LEU B 151 9.674 -0.805 2.874 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.076 -1.378 3.120 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.056 -0.437 4.224 1.00 0.00 C ATOM 0 H LEU B 151 8.373 2.304 2.660 1.00 0.00 H new ATOM 0 HA LEU B 151 11.016 1.406 3.254 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.700 0.594 1.561 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.268 0.055 0.993 1.00 0.00 H new ATOM 0 HG LEU B 151 9.036 -1.552 2.403 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.012 -2.206 3.826 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.493 -1.735 2.179 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.720 -0.600 3.530 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.057 -1.311 4.875 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.639 0.360 4.686 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.031 -0.097 4.074 1.00 0.00 H new ATOM 1672 N LYS B 152 10.692 3.183 0.491 1.00 0.00 N ATOM 1673 CA LYS B 152 11.483 4.006 -0.446 1.00 0.00 C ATOM 1674 C LYS B 152 12.451 4.930 0.301 1.00 0.00 C ATOM 1675 O LYS B 152 13.635 4.968 -0.028 1.00 0.00 O ATOM 1676 CB LYS B 152 10.563 4.830 -1.360 1.00 0.00 C ATOM 1677 CG LYS B 152 9.916 3.990 -2.466 1.00 0.00 C ATOM 1678 CD LYS B 152 9.047 4.881 -3.355 1.00 0.00 C ATOM 1679 CE LYS B 152 8.449 4.090 -4.522 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.813 5.008 -5.498 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.685 3.320 0.409 1.00 0.00 H new ATOM 0 HA LYS B 152 12.071 3.326 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.781 5.294 -0.758 1.00 0.00 H new ATOM 0 HB3 LYS B 152 11.138 5.638 -1.813 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.687 3.505 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS B 152 9.310 3.198 -2.026 1.00 0.00 H new ATOM 0 HD2 LYS B 152 8.245 5.319 -2.761 1.00 0.00 H new ATOM 0 HD3 LYS B 152 9.645 5.707 -3.741 1.00 0.00 H new ATOM 0 HE2 LYS B 152 9.230 3.510 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS B 152 7.712 3.379 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 7.077 4.497 -6.026 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.384 5.809 -4.992 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 8.532 5.362 -6.161 1.00 0.00 H new ATOM 1694 N ALA B 153 11.979 5.615 1.343 1.00 0.00 N ATOM 1695 CA ALA B 153 12.798 6.486 2.189 1.00 0.00 C ATOM 1696 C ALA B 153 13.914 5.716 2.928 1.00 0.00 C ATOM 1697 O ALA B 153 15.063 6.159 2.934 1.00 0.00 O ATOM 1698 CB ALA B 153 11.873 7.230 3.158 1.00 0.00 C ATOM 0 H ALA B 153 11.000 5.580 1.628 1.00 0.00 H new ATOM 0 HA ALA B 153 13.319 7.206 1.558 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.466 7.884 3.797 1.00 0.00 H new ATOM 0 HB2 ALA B 153 11.157 7.827 2.592 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.337 6.509 3.775 1.00 0.00 H new ATOM 1704 N ALA B 154 13.611 4.544 3.491 1.00 0.00 N ATOM 1705 CA ALA B 154 14.590 3.704 4.189 1.00 0.00 C ATOM 1706 C ALA B 154 15.703 3.187 3.245 1.00 0.00 C ATOM 1707 O ALA B 154 16.887 3.271 3.584 1.00 0.00 O ATOM 1708 CB ALA B 154 13.846 2.539 4.859 1.00 0.00 C ATOM 0 H ALA B 154 12.672 4.147 3.476 1.00 0.00 H new ATOM 0 HA ALA B 154 15.093 4.308 4.944 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.561 1.904 5.383 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.120 2.932 5.571 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.329 1.953 4.099 1.00 0.00 H new ATOM 1714 N ASN B 155 15.341 2.714 2.047 1.00 0.00 N ATOM 1715 CA ASN B 155 16.296 2.256 1.036 1.00 0.00 C ATOM 1716 C ASN B 155 17.163 3.414 0.491 1.00 0.00 C ATOM 1717 O ASN B 155 18.380 3.291 0.355 1.00 0.00 O ATOM 1718 CB ASN B 155 15.516 1.508 -0.063 1.00 0.00 C ATOM 1719 CG ASN B 155 16.349 0.493 -0.830 1.00 0.00 C ATOM 1720 OD1 ASN B 155 17.569 0.501 -0.822 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.708 -0.438 -1.503 1.00 0.00 N ATOM 0 H ASN B 155 14.368 2.638 1.751 1.00 0.00 H new ATOM 0 HA ASN B 155 17.011 1.566 1.485 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.667 0.997 0.392 1.00 0.00 H new ATOM 0 HB3 ASN B 155 15.111 2.236 -0.766 1.00 0.00 H new ATOM 0 HD21 ASN B 155 16.231 -1.149 -2.015 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.688 -0.449 -1.513 1.00 0.00 H new ATOM 1728 N GLN B 156 16.567 4.589 0.254 1.00 0.00 N ATOM 1729 CA GLN B 156 17.292 5.788 -0.185 1.00 0.00 C ATOM 1730 C GLN B 156 18.277 6.305 0.882 1.00 0.00 C ATOM 1731 O GLN B 156 19.363 6.789 0.545 1.00 0.00 O ATOM 1732 CB GLN B 156 16.259 6.858 -0.594 1.00 0.00 C ATOM 1733 CG GLN B 156 16.863 8.180 -1.101 1.00 0.00 C ATOM 1734 CD GLN B 156 17.725 8.048 -2.362 1.00 0.00 C ATOM 1735 OE1 GLN B 156 17.677 7.079 -3.110 1.00 0.00 O ATOM 1736 NE2 GLN B 156 18.553 9.032 -2.654 1.00 0.00 N ATOM 0 H GLN B 156 15.563 4.736 0.362 1.00 0.00 H new ATOM 0 HA GLN B 156 17.913 5.536 -1.045 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.619 6.445 -1.374 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.620 7.072 0.263 1.00 0.00 H new ATOM 0 HG2 GLN B 156 16.052 8.880 -1.303 1.00 0.00 H new ATOM 0 HG3 GLN B 156 17.469 8.615 -0.307 1.00 0.00 H new ATOM 0 HE21 GLN B 156 18.609 9.849 -2.045 1.00 0.00 H new ATOM 0 HE22 GLN B 156 19.137 8.977 -3.489 1.00 0.00 H new