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 Set 1.1: A 44 SER OG : rot -76:sc= 0.767 USER MOD Set 1.2: B 144 SER OG : rot 158:sc= 0.848 USER MOD Single : A 15 SER OG : rot 180:sc= 0.195 USER MOD Single : A 20 GLN : amide:sc= 0.552 K(o=0.55,f=0) USER MOD Single : A 22 MET CE :methyl -167:sc= 0 (180deg=-0.131) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 73:sc= 0.68 USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 1.31 (180deg=1.11) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 1.9 (180deg=1.8) USER MOD Single : A 55 ASN : amide:sc= -0.0491 K(o=-0.049,f=-1.5) USER MOD Single : B 115 SER OG : rot 180:sc= 0.462 USER MOD Single : B 120 GLN : amide:sc= 0.0136 X(o=0.014,f=0) USER MOD Single : B 122 MET CE :methyl 180:sc= -0.185 (180deg=-0.185) USER MOD Single : B 133 SER OG : rot 180:sc= 0 USER MOD Single : B 134 MET CE :methyl -167:sc= -0.047 (180deg=-0.459) USER MOD Single : B 135 GLN : amide:sc= -0.0425 X(o=-0.042,f=-0.042) USER MOD Single : B 138 GLN : amide:sc= -0.0361 X(o=-0.036,f=-0.27) USER MOD Single : B 139 GLN : amide:sc= 0.807 K(o=0.81,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 THR OG1 : rot 72:sc= 0.652 USER MOD Single : B 149 LYS NZ :NH3+ -165:sc= 1.24 (180deg=1.04) USER MOD Single : B 152 LYS NZ :NH3+ 154:sc= 1.82 (180deg=1.16) USER MOD Single : B 155 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1.1) USER MOD Single : B 156 GLN : amide:sc= -0.0112 K(o=-0.011,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.436 12.283 0.377 1.00 0.00 N ATOM 115 CA PRO A 10 -10.479 11.468 -0.258 1.00 0.00 C ATOM 116 C PRO A 10 -9.947 10.198 -0.945 1.00 0.00 C ATOM 117 O PRO A 10 -8.767 10.095 -1.288 1.00 0.00 O ATOM 118 CB PRO A 10 -11.210 12.405 -1.229 1.00 0.00 C ATOM 119 CG PRO A 10 -10.169 13.474 -1.544 1.00 0.00 C ATOM 120 CD PRO A 10 -9.424 13.610 -0.220 1.00 0.00 C ATOM 0 HA PRO A 10 -11.157 11.070 0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.531 11.880 -2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.103 12.836 -0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.506 13.168 -2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.631 14.413 -1.848 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.404 13.958 -0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.911 14.336 0.431 1.00 0.00 H new ATOM 128 N ILE A 11 -10.846 9.236 -1.171 1.00 0.00 N ATOM 129 CA ILE A 11 -10.516 7.906 -1.713 1.00 0.00 C ATOM 130 C ILE A 11 -9.853 7.968 -3.102 1.00 0.00 C ATOM 131 O ILE A 11 -8.922 7.216 -3.388 1.00 0.00 O ATOM 132 CB ILE A 11 -11.785 7.011 -1.694 1.00 0.00 C ATOM 133 CG1 ILE A 11 -11.465 5.528 -1.975 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.865 7.479 -2.690 1.00 0.00 C ATOM 135 CD1 ILE A 11 -10.730 4.862 -0.815 1.00 0.00 C ATOM 0 H ILE A 11 -11.841 9.357 -0.981 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.762 7.454 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.176 7.109 -0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.392 4.990 -2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.857 5.455 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.727 6.815 -2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.172 8.495 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.460 7.459 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.528 3.820 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.789 5.381 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.348 4.909 0.082 1.00 0.00 H new ATOM 147 N ASP A 12 -10.287 8.899 -3.957 1.00 0.00 N ATOM 148 CA ASP A 12 -9.708 9.099 -5.289 1.00 0.00 C ATOM 149 C ASP A 12 -8.286 9.682 -5.247 1.00 0.00 C ATOM 150 O ASP A 12 -7.483 9.387 -6.129 1.00 0.00 O ATOM 151 CB ASP A 12 -10.639 9.999 -6.118 1.00 0.00 C ATOM 152 CG ASP A 12 -11.960 9.320 -6.527 1.00 0.00 C ATOM 153 OD1 ASP A 12 -12.010 8.075 -6.675 1.00 0.00 O ATOM 154 OD2 ASP A 12 -12.954 10.054 -6.753 1.00 0.00 O1- ATOM 0 H ASP A 12 -11.053 9.538 -3.744 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.619 8.119 -5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.866 10.897 -5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.113 10.320 -7.017 1.00 0.00 H new ATOM 159 N GLU A 13 -7.950 10.474 -4.225 1.00 0.00 N ATOM 160 CA GLU A 13 -6.613 11.054 -4.043 1.00 0.00 C ATOM 161 C GLU A 13 -5.596 9.986 -3.613 1.00 0.00 C ATOM 162 O GLU A 13 -4.578 9.814 -4.280 1.00 0.00 O ATOM 163 CB GLU A 13 -6.689 12.233 -3.060 1.00 0.00 C ATOM 164 CG GLU A 13 -5.363 12.956 -2.777 1.00 0.00 C ATOM 165 CD GLU A 13 -4.841 13.848 -3.929 1.00 0.00 C ATOM 166 OE1 GLU A 13 -5.420 13.854 -5.045 1.00 0.00 O ATOM 167 OE2 GLU A 13 -3.840 14.575 -3.715 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.607 10.735 -3.490 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.256 11.441 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.401 12.960 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.091 11.868 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.487 13.574 -1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.603 12.210 -2.543 1.00 0.00 H new ATOM 174 N LEU A 14 -5.875 9.211 -2.559 1.00 0.00 N ATOM 175 CA LEU A 14 -4.972 8.131 -2.126 1.00 0.00 C ATOM 176 C LEU A 14 -4.863 6.991 -3.159 1.00 0.00 C ATOM 177 O LEU A 14 -3.790 6.402 -3.319 1.00 0.00 O ATOM 178 CB LEU A 14 -5.351 7.659 -0.714 1.00 0.00 C ATOM 179 CG LEU A 14 -6.738 7.001 -0.570 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.622 5.478 -0.583 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.406 7.427 0.736 1.00 0.00 C ATOM 0 H LEU A 14 -6.716 9.309 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.960 8.532 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.597 6.948 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.306 8.516 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.342 7.328 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.613 5.037 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.177 5.155 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.993 5.154 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.383 6.951 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.784 7.124 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.528 8.510 0.746 1.00 0.00 H new ATOM 193 N SER A 15 -5.930 6.737 -3.923 1.00 0.00 N ATOM 194 CA SER A 15 -5.925 5.826 -5.079 1.00 0.00 C ATOM 195 C SER A 15 -5.057 6.349 -6.246 1.00 0.00 C ATOM 196 O SER A 15 -4.410 5.564 -6.949 1.00 0.00 O ATOM 197 CB SER A 15 -7.377 5.576 -5.507 1.00 0.00 C ATOM 198 OG SER A 15 -7.468 4.637 -6.556 1.00 0.00 O ATOM 0 H SER A 15 -6.840 7.165 -3.755 1.00 0.00 H new ATOM 0 HA SER A 15 -5.464 4.883 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.950 5.219 -4.651 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.828 6.517 -5.823 1.00 0.00 H new ATOM 0 HG SER A 15 -8.409 4.506 -6.797 1.00 0.00 H new ATOM 204 N ALA A 16 -4.969 7.665 -6.457 1.00 0.00 N ATOM 205 CA ALA A 16 -4.027 8.272 -7.408 1.00 0.00 C ATOM 206 C ALA A 16 -2.570 8.282 -6.890 1.00 0.00 C ATOM 207 O ALA A 16 -1.633 8.132 -7.679 1.00 0.00 O ATOM 208 CB ALA A 16 -4.504 9.689 -7.752 1.00 0.00 C ATOM 0 H ALA A 16 -5.552 8.346 -5.971 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.016 7.658 -8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.810 10.145 -8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.496 9.640 -8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.545 10.290 -6.843 1.00 0.00 H new ATOM 214 N LEU A 17 -2.364 8.427 -5.576 1.00 0.00 N ATOM 215 CA LEU A 17 -1.039 8.383 -4.940 1.00 0.00 C ATOM 216 C LEU A 17 -0.407 6.984 -5.052 1.00 0.00 C ATOM 217 O LEU A 17 0.752 6.878 -5.456 1.00 0.00 O ATOM 218 CB LEU A 17 -1.134 8.861 -3.475 1.00 0.00 C ATOM 219 CG LEU A 17 -0.752 10.340 -3.254 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.577 11.341 -4.068 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.920 10.698 -1.774 1.00 0.00 C ATOM 0 H LEU A 17 -3.124 8.581 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.377 9.066 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.154 8.706 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.486 8.237 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 17 0.282 10.422 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.239 12.354 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.450 11.138 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.630 11.245 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.650 11.743 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.958 10.544 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.272 10.063 -1.170 1.00 0.00 H new ATOM 233 N LEU A 18 -1.141 5.898 -4.769 1.00 0.00 N ATOM 234 CA LEU A 18 -0.586 4.542 -4.908 1.00 0.00 C ATOM 235 C LEU A 18 -0.234 4.195 -6.366 1.00 0.00 C ATOM 236 O LEU A 18 0.784 3.540 -6.599 1.00 0.00 O ATOM 237 CB LEU A 18 -1.467 3.501 -4.183 1.00 0.00 C ATOM 238 CG LEU A 18 -2.862 3.227 -4.782 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.861 2.142 -5.862 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.806 2.739 -3.684 1.00 0.00 C ATOM 0 H LEU A 18 -2.108 5.929 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 18 0.376 4.513 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.921 2.558 -4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.599 3.828 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.180 4.170 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.874 2.002 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.208 2.444 -6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.499 1.206 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.791 2.546 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.413 1.821 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.889 3.502 -2.910 1.00 0.00 H new ATOM 252 N ARG A 19 -0.984 4.705 -7.358 1.00 0.00 N ATOM 253 CA ARG A 19 -0.640 4.551 -8.785 1.00 0.00 C ATOM 254 C ARG A 19 0.645 5.285 -9.158 1.00 0.00 C ATOM 255 O ARG A 19 1.529 4.672 -9.761 1.00 0.00 O ATOM 256 CB ARG A 19 -1.794 5.028 -9.683 1.00 0.00 C ATOM 257 CG ARG A 19 -2.953 4.031 -9.766 1.00 0.00 C ATOM 258 CD ARG A 19 -3.938 4.553 -10.814 1.00 0.00 C ATOM 259 NE ARG A 19 -5.229 3.841 -10.826 1.00 0.00 N ATOM 260 CZ ARG A 19 -6.287 4.178 -10.109 1.00 0.00 C ATOM 261 NH1 ARG A 19 -6.212 4.990 -9.100 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -7.469 3.714 -10.381 1.00 0.00 N ATOM 0 H ARG A 19 -1.842 5.233 -7.196 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.472 3.487 -8.950 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.169 5.979 -9.305 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.411 5.213 -10.687 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.588 3.042 -10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.442 3.931 -8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.120 5.612 -10.632 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.481 4.473 -11.800 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.312 3.026 -11.434 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.313 5.393 -8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.052 5.226 -8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.598 3.073 -11.164 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.269 3.990 -9.811 1.00 0.00 H new ATOM 276 N GLN A 20 0.782 6.566 -8.803 1.00 0.00 N ATOM 277 CA GLN A 20 1.958 7.364 -9.194 1.00 0.00 C ATOM 278 C GLN A 20 3.242 6.987 -8.427 1.00 0.00 C ATOM 279 O GLN A 20 4.335 7.095 -8.987 1.00 0.00 O ATOM 280 CB GLN A 20 1.635 8.865 -9.142 1.00 0.00 C ATOM 281 CG GLN A 20 1.616 9.467 -7.727 1.00 0.00 C ATOM 282 CD GLN A 20 0.900 10.813 -7.698 1.00 0.00 C ATOM 283 OE1 GLN A 20 1.501 11.867 -7.551 1.00 0.00 O ATOM 284 NE2 GLN A 20 -0.410 10.837 -7.864 1.00 0.00 N ATOM 0 H GLN A 20 0.096 7.076 -8.246 1.00 0.00 H new ATOM 0 HA GLN A 20 2.187 7.115 -10.230 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.370 9.402 -9.741 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.663 9.030 -9.606 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.121 8.776 -7.044 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.638 9.591 -7.370 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.924 9.965 -7.988 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.907 11.728 -7.868 1.00 0.00 H new ATOM 293 N GLU A 21 3.143 6.461 -7.197 1.00 0.00 N ATOM 294 CA GLU A 21 4.282 5.826 -6.502 1.00 0.00 C ATOM 295 C GLU A 21 4.735 4.531 -7.204 1.00 0.00 C ATOM 296 O GLU A 21 5.935 4.255 -7.265 1.00 0.00 O ATOM 297 CB GLU A 21 3.918 5.523 -5.030 1.00 0.00 C ATOM 298 CG GLU A 21 3.832 6.769 -4.130 1.00 0.00 C ATOM 299 CD GLU A 21 5.150 7.544 -3.943 1.00 0.00 C ATOM 300 OE1 GLU A 21 5.086 8.696 -3.447 1.00 0.00 O ATOM 301 OE2 GLU A 21 6.247 7.027 -4.256 1.00 0.00 O1- ATOM 0 H GLU A 21 2.279 6.462 -6.656 1.00 0.00 H new ATOM 0 HA GLU A 21 5.112 6.532 -6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.960 5.004 -5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.661 4.841 -4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.088 7.447 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.468 6.463 -3.149 1.00 0.00 H new ATOM 308 N MET A 22 3.802 3.769 -7.789 1.00 0.00 N ATOM 309 CA MET A 22 4.071 2.628 -8.681 1.00 0.00 C ATOM 310 C MET A 22 4.401 3.037 -10.135 1.00 0.00 C ATOM 311 O MET A 22 4.607 2.173 -10.991 1.00 0.00 O ATOM 312 CB MET A 22 2.903 1.628 -8.607 1.00 0.00 C ATOM 313 CG MET A 22 2.872 0.927 -7.243 1.00 0.00 C ATOM 314 SD MET A 22 1.692 -0.443 -7.099 1.00 0.00 S ATOM 315 CE MET A 22 0.204 0.421 -6.545 1.00 0.00 C ATOM 0 H MET A 22 2.805 3.933 -7.651 1.00 0.00 H new ATOM 0 HA MET A 22 4.979 2.142 -8.323 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.961 2.150 -8.774 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.002 0.887 -9.400 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.871 0.548 -7.025 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.638 1.668 -6.478 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.529 -0.305 -6.195 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.459 1.100 -5.732 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.216 0.990 -7.374 1.00 0.00 H new ATOM 325 N GLY A 23 4.487 4.339 -10.432 1.00 0.00 N ATOM 326 CA GLY A 23 4.888 4.899 -11.727 1.00 0.00 C ATOM 327 C GLY A 23 3.804 4.909 -12.820 1.00 0.00 C ATOM 328 O GLY A 23 4.112 5.226 -13.972 1.00 0.00 O ATOM 0 H GLY A 23 4.269 5.062 -9.746 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.227 5.923 -11.569 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.744 4.334 -12.096 1.00 0.00 H new ATOM 420 N MET A 34 -16.608 -4.918 -3.649 1.00 0.00 N ATOM 421 CA MET A 34 -15.592 -5.852 -3.118 1.00 0.00 C ATOM 422 C MET A 34 -14.466 -6.177 -4.111 1.00 0.00 C ATOM 423 O MET A 34 -13.295 -6.181 -3.736 1.00 0.00 O ATOM 424 CB MET A 34 -16.263 -7.137 -2.614 1.00 0.00 C ATOM 425 CG MET A 34 -16.865 -6.932 -1.216 1.00 0.00 C ATOM 426 SD MET A 34 -15.631 -6.883 0.118 1.00 0.00 S ATOM 427 CE MET A 34 -15.982 -5.247 0.831 1.00 0.00 C ATOM 0 HA MET A 34 -15.111 -5.339 -2.285 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.045 -7.440 -3.310 1.00 0.00 H new ATOM 0 HB3 MET A 34 -15.532 -7.945 -2.584 1.00 0.00 H new ATOM 0 HG2 MET A 34 -17.431 -6.001 -1.208 1.00 0.00 H new ATOM 0 HG3 MET A 34 -17.572 -7.737 -1.014 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.307 -5.062 1.666 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.837 -4.480 0.070 1.00 0.00 H new ATOM 0 HE3 MET A 34 -17.013 -5.218 1.185 1.00 0.00 H new ATOM 437 N GLN A 35 -14.780 -6.352 -5.392 1.00 0.00 N ATOM 438 CA GLN A 35 -13.775 -6.594 -6.439 1.00 0.00 C ATOM 439 C GLN A 35 -12.806 -5.409 -6.655 1.00 0.00 C ATOM 440 O GLN A 35 -11.655 -5.625 -7.041 1.00 0.00 O ATOM 441 CB GLN A 35 -14.482 -6.974 -7.754 1.00 0.00 C ATOM 442 CG GLN A 35 -15.495 -5.929 -8.261 1.00 0.00 C ATOM 443 CD GLN A 35 -15.572 -5.886 -9.789 1.00 0.00 C ATOM 444 OE1 GLN A 35 -15.969 -6.842 -10.452 1.00 0.00 O ATOM 445 NE2 GLN A 35 -15.214 -4.778 -10.407 1.00 0.00 N ATOM 0 H GLN A 35 -15.739 -6.331 -5.740 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.152 -7.421 -6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.727 -7.133 -8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.999 -7.923 -7.613 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.481 -6.157 -7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.216 -4.944 -7.886 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.883 -3.978 -9.868 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.268 -4.721 -11.424 1.00 0.00 H new ATOM 454 N ASP A 36 -13.241 -4.175 -6.386 1.00 0.00 N ATOM 455 CA ASP A 36 -12.447 -2.954 -6.574 1.00 0.00 C ATOM 456 C ASP A 36 -11.504 -2.711 -5.384 1.00 0.00 C ATOM 457 O ASP A 36 -10.317 -2.432 -5.571 1.00 0.00 O ATOM 458 CB ASP A 36 -13.358 -1.733 -6.789 1.00 0.00 C ATOM 459 CG ASP A 36 -14.423 -1.882 -7.886 1.00 0.00 C ATOM 460 OD1 ASP A 36 -14.197 -2.604 -8.889 1.00 0.00 O ATOM 461 OD2 ASP A 36 -15.488 -1.232 -7.753 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.176 -3.991 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.838 -3.095 -7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.861 -1.508 -5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.732 -0.874 -7.030 1.00 0.00 H new ATOM 466 N ILE A 37 -12.002 -2.860 -4.150 1.00 0.00 N ATOM 467 CA ILE A 37 -11.189 -2.755 -2.924 1.00 0.00 C ATOM 468 C ILE A 37 -10.134 -3.871 -2.845 1.00 0.00 C ATOM 469 O ILE A 37 -8.983 -3.589 -2.500 1.00 0.00 O ATOM 470 CB ILE A 37 -12.087 -2.683 -1.661 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.256 -2.587 -0.356 1.00 0.00 C ATOM 472 CG2 ILE A 37 -13.075 -3.845 -1.575 1.00 0.00 C ATOM 473 CD1 ILE A 37 -12.104 -2.325 0.898 1.00 0.00 C ATOM 0 H ILE A 37 -12.986 -3.058 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.634 -1.818 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.664 -1.764 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.700 -3.515 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.522 -1.788 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.678 -3.744 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.726 -3.834 -2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.527 -4.787 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.454 -2.270 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.640 -1.383 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.820 -3.136 1.029 1.00 0.00 H new ATOM 485 N GLN A 38 -10.473 -5.111 -3.225 1.00 0.00 N ATOM 486 CA GLN A 38 -9.520 -6.234 -3.248 1.00 0.00 C ATOM 487 C GLN A 38 -8.330 -5.950 -4.179 1.00 0.00 C ATOM 488 O GLN A 38 -7.181 -6.052 -3.746 1.00 0.00 O ATOM 489 CB GLN A 38 -10.217 -7.547 -3.653 1.00 0.00 C ATOM 490 CG GLN A 38 -11.053 -8.152 -2.516 1.00 0.00 C ATOM 491 CD GLN A 38 -11.873 -9.352 -2.987 1.00 0.00 C ATOM 492 OE1 GLN A 38 -13.059 -9.262 -3.277 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.299 -10.530 -3.093 1.00 0.00 N ATOM 0 H GLN A 38 -11.414 -5.365 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.134 -6.347 -2.235 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.861 -7.361 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.465 -8.270 -3.969 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.393 -8.459 -1.704 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.722 -7.391 -2.113 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.312 -10.639 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.840 -11.335 -3.409 1.00 0.00 H new ATOM 502 N GLN A 39 -8.571 -5.538 -5.431 1.00 0.00 N ATOM 503 CA GLN A 39 -7.488 -5.299 -6.397 1.00 0.00 C ATOM 504 C GLN A 39 -6.626 -4.073 -6.051 1.00 0.00 C ATOM 505 O GLN A 39 -5.405 -4.156 -6.162 1.00 0.00 O ATOM 506 CB GLN A 39 -8.025 -5.288 -7.838 1.00 0.00 C ATOM 507 CG GLN A 39 -8.839 -4.048 -8.236 1.00 0.00 C ATOM 508 CD GLN A 39 -9.481 -4.137 -9.627 1.00 0.00 C ATOM 509 OE1 GLN A 39 -9.399 -5.128 -10.344 1.00 0.00 O ATOM 510 NE2 GLN A 39 -10.143 -3.085 -10.067 1.00 0.00 N ATOM 0 H GLN A 39 -9.506 -5.363 -5.799 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.799 -6.141 -6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.181 -5.381 -8.521 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.649 -6.170 -7.980 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.623 -3.889 -7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.188 -3.174 -8.204 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.222 -2.252 -9.484 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.576 -3.105 -10.990 1.00 0.00 H new ATOM 519 N LEU A 40 -7.219 -2.972 -5.567 1.00 0.00 N ATOM 520 CA LEU A 40 -6.464 -1.791 -5.117 1.00 0.00 C ATOM 521 C LEU A 40 -5.543 -2.119 -3.926 1.00 0.00 C ATOM 522 O LEU A 40 -4.360 -1.763 -3.929 1.00 0.00 O ATOM 523 CB LEU A 40 -7.440 -0.664 -4.728 1.00 0.00 C ATOM 524 CG LEU A 40 -8.119 0.058 -5.907 1.00 0.00 C ATOM 525 CD1 LEU A 40 -9.260 0.936 -5.397 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.139 0.963 -6.661 1.00 0.00 C ATOM 0 H LEU A 40 -8.230 -2.874 -5.476 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.833 -1.465 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.215 -1.083 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.899 0.074 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.489 -0.715 -6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.734 1.442 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.996 0.315 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.866 1.678 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.657 1.454 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.743 1.717 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.319 0.363 -7.055 1.00 0.00 H new ATOM 538 N LEU A 41 -6.078 -2.825 -2.927 1.00 0.00 N ATOM 539 CA LEU A 41 -5.357 -3.153 -1.702 1.00 0.00 C ATOM 540 C LEU A 41 -4.304 -4.261 -1.909 1.00 0.00 C ATOM 541 O LEU A 41 -3.242 -4.226 -1.285 1.00 0.00 O ATOM 542 CB LEU A 41 -6.395 -3.487 -0.615 1.00 0.00 C ATOM 543 CG LEU A 41 -5.843 -3.500 0.820 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.399 -2.099 1.249 1.00 0.00 C ATOM 545 CD2 LEU A 41 -6.946 -3.944 1.780 1.00 0.00 C ATOM 0 H LEU A 41 -7.032 -3.186 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.770 -2.294 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.206 -2.761 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.827 -4.464 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.992 -4.181 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.013 -2.136 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.618 -1.743 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.250 -1.419 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.559 -3.955 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.784 -3.250 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.283 -4.945 1.509 1.00 0.00 H new ATOM 557 N ALA A 42 -4.535 -5.193 -2.842 1.00 0.00 N ATOM 558 CA ALA A 42 -3.536 -6.174 -3.269 1.00 0.00 C ATOM 559 C ALA A 42 -2.362 -5.531 -4.026 1.00 0.00 C ATOM 560 O ALA A 42 -1.207 -5.895 -3.794 1.00 0.00 O ATOM 561 CB ALA A 42 -4.210 -7.227 -4.152 1.00 0.00 C ATOM 0 H ALA A 42 -5.429 -5.286 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.122 -6.636 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.470 -7.960 -4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.995 -7.728 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.645 -6.744 -5.027 1.00 0.00 H new ATOM 567 N LYS A 43 -2.625 -4.566 -4.921 1.00 0.00 N ATOM 568 CA LYS A 43 -1.593 -3.883 -5.712 1.00 0.00 C ATOM 569 C LYS A 43 -0.625 -3.080 -4.834 1.00 0.00 C ATOM 570 O LYS A 43 0.590 -3.212 -4.975 1.00 0.00 O ATOM 571 CB LYS A 43 -2.299 -3.010 -6.763 1.00 0.00 C ATOM 572 CG LYS A 43 -1.353 -2.653 -7.914 1.00 0.00 C ATOM 573 CD LYS A 43 -2.018 -1.668 -8.884 1.00 0.00 C ATOM 574 CE LYS A 43 -1.016 -1.216 -9.952 1.00 0.00 C ATOM 575 NZ LYS A 43 -1.645 -0.276 -10.914 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.570 -4.236 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.968 -4.620 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.168 -3.539 -7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.666 -2.097 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.438 -2.215 -7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.066 -3.559 -8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.878 -2.139 -9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.391 -0.803 -8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.163 -0.735 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.633 -2.085 -10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.944 0.013 -11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.444 -0.745 -11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.988 0.563 -10.405 1.00 0.00 H new ATOM 589 N SER A 44 -1.150 -2.320 -3.872 1.00 0.00 N ATOM 590 CA SER A 44 -0.327 -1.592 -2.889 1.00 0.00 C ATOM 591 C SER A 44 0.447 -2.531 -1.946 1.00 0.00 C ATOM 592 O SER A 44 1.633 -2.306 -1.692 1.00 0.00 O ATOM 593 CB SER A 44 -1.180 -0.579 -2.116 1.00 0.00 C ATOM 594 OG SER A 44 -2.272 -1.201 -1.460 1.00 0.00 O ATOM 0 H SER A 44 -2.154 -2.188 -3.747 1.00 0.00 H new ATOM 0 HA SER A 44 0.431 -1.043 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.559 -0.067 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.554 0.181 -2.803 1.00 0.00 H new ATOM 0 HG SER A 44 -2.968 -1.415 -2.115 1.00 0.00 H new ATOM 600 N LEU A 45 -0.156 -3.637 -1.493 1.00 0.00 N ATOM 601 CA LEU A 45 0.531 -4.681 -0.716 1.00 0.00 C ATOM 602 C LEU A 45 1.674 -5.337 -1.515 1.00 0.00 C ATOM 603 O LEU A 45 2.777 -5.515 -0.992 1.00 0.00 O ATOM 604 CB LEU A 45 -0.535 -5.670 -0.212 1.00 0.00 C ATOM 605 CG LEU A 45 -0.112 -6.941 0.550 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.272 -8.097 -0.376 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.009 -6.710 1.561 1.00 0.00 C ATOM 0 H LEU A 45 -1.143 -3.836 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 45 1.034 -4.249 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.211 -5.114 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.115 -5.990 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.009 -7.219 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.560 -8.962 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.579 -8.358 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.109 -7.796 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.251 -7.650 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.892 -6.334 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.685 -5.981 2.304 1.00 0.00 H new ATOM 619 N THR A 46 1.457 -5.621 -2.800 1.00 0.00 N ATOM 620 CA THR A 46 2.494 -6.175 -3.692 1.00 0.00 C ATOM 621 C THR A 46 3.702 -5.239 -3.802 1.00 0.00 C ATOM 622 O THR A 46 4.843 -5.701 -3.717 1.00 0.00 O ATOM 623 CB THR A 46 1.918 -6.487 -5.087 1.00 0.00 C ATOM 624 OG1 THR A 46 0.917 -7.481 -4.982 1.00 0.00 O ATOM 625 CG2 THR A 46 2.962 -7.026 -6.069 1.00 0.00 C ATOM 0 H THR A 46 0.558 -5.475 -3.259 1.00 0.00 H new ATOM 0 HA THR A 46 2.837 -7.109 -3.248 1.00 0.00 H new ATOM 0 HB THR A 46 1.531 -5.540 -5.463 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.116 -7.096 -4.570 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.489 -7.224 -7.031 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.754 -6.288 -6.199 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.388 -7.950 -5.677 1.00 0.00 H new ATOM 633 N GLU A 47 3.493 -3.928 -3.909 1.00 0.00 N ATOM 634 CA GLU A 47 4.589 -2.948 -3.963 1.00 0.00 C ATOM 635 C GLU A 47 5.422 -2.901 -2.667 1.00 0.00 C ATOM 636 O GLU A 47 6.644 -2.766 -2.745 1.00 0.00 O ATOM 637 CB GLU A 47 4.025 -1.568 -4.337 1.00 0.00 C ATOM 638 CG GLU A 47 5.066 -0.445 -4.537 1.00 0.00 C ATOM 639 CD GLU A 47 5.944 -0.579 -5.801 1.00 0.00 C ATOM 640 OE1 GLU A 47 6.609 0.424 -6.154 1.00 0.00 O ATOM 641 OE2 GLU A 47 5.974 -1.649 -6.456 1.00 0.00 O1- ATOM 0 H GLU A 47 2.564 -3.511 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 47 5.286 -3.268 -4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.448 -1.670 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.330 -1.258 -3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.543 0.510 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.717 -0.415 -3.663 1.00 0.00 H new ATOM 648 N ILE A 48 4.813 -3.085 -1.484 1.00 0.00 N ATOM 649 CA ILE A 48 5.556 -3.216 -0.214 1.00 0.00 C ATOM 650 C ILE A 48 6.489 -4.434 -0.287 1.00 0.00 C ATOM 651 O ILE A 48 7.687 -4.301 -0.029 1.00 0.00 O ATOM 652 CB ILE A 48 4.615 -3.312 1.017 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.768 -2.038 1.188 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.415 -3.592 2.312 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.594 -2.215 2.158 1.00 0.00 C ATOM 0 H ILE A 48 3.800 -3.147 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 48 6.149 -2.311 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 48 3.939 -4.148 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.407 -1.231 1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.383 -1.733 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.729 -3.654 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.952 -4.535 2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.127 -2.785 2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.039 -1.280 2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.934 -3.001 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.973 -2.491 3.142 1.00 0.00 H new ATOM 667 N LYS A 49 5.974 -5.599 -0.698 1.00 0.00 N ATOM 668 CA LYS A 49 6.764 -6.835 -0.827 1.00 0.00 C ATOM 669 C LYS A 49 7.932 -6.680 -1.810 1.00 0.00 C ATOM 670 O LYS A 49 9.051 -7.089 -1.485 1.00 0.00 O ATOM 671 CB LYS A 49 5.853 -8.008 -1.238 1.00 0.00 C ATOM 672 CG LYS A 49 4.903 -8.435 -0.110 1.00 0.00 C ATOM 673 CD LYS A 49 3.973 -9.558 -0.589 1.00 0.00 C ATOM 674 CE LYS A 49 3.053 -10.080 0.525 1.00 0.00 C ATOM 675 NZ LYS A 49 3.780 -10.942 1.491 1.00 0.00 N1+ ATOM 0 H LYS A 49 4.993 -5.714 -0.952 1.00 0.00 H new ATOM 0 HA LYS A 49 7.200 -7.048 0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.269 -7.721 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.470 -8.858 -1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.480 -8.774 0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.312 -7.580 0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.364 -9.192 -1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.573 -10.382 -0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.610 -9.236 1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.232 -10.644 0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.095 -11.472 2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.386 -11.610 0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.369 -10.349 2.111 1.00 0.00 H new ATOM 689 N ARG A 50 7.707 -6.048 -2.972 1.00 0.00 N ATOM 690 CA ARG A 50 8.755 -5.747 -3.973 1.00 0.00 C ATOM 691 C ARG A 50 9.859 -4.841 -3.419 1.00 0.00 C ATOM 692 O ARG A 50 11.040 -5.166 -3.569 1.00 0.00 O ATOM 693 CB ARG A 50 8.120 -5.109 -5.228 1.00 0.00 C ATOM 694 CG ARG A 50 7.243 -6.035 -6.087 1.00 0.00 C ATOM 695 CD ARG A 50 8.014 -7.128 -6.851 1.00 0.00 C ATOM 696 NE ARG A 50 8.347 -8.288 -6.002 1.00 0.00 N ATOM 697 CZ ARG A 50 9.224 -9.241 -6.262 1.00 0.00 C ATOM 698 NH1 ARG A 50 9.923 -9.264 -7.360 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 9.420 -10.205 -5.409 1.00 0.00 N ATOM 0 H ARG A 50 6.781 -5.725 -3.251 1.00 0.00 H new ATOM 0 HA ARG A 50 9.226 -6.693 -4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.515 -4.259 -4.912 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.920 -4.715 -5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.505 -6.513 -5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.693 -5.428 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.417 -7.463 -7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.933 -6.703 -7.256 1.00 0.00 H new ATOM 0 HE ARG A 50 7.845 -8.362 -5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.803 -8.528 -8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.591 -10.018 -7.524 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.895 -10.227 -4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.098 -10.938 -5.615 1.00 0.00 H new ATOM 713 N LEU A 51 9.489 -3.748 -2.746 1.00 0.00 N ATOM 714 CA LEU A 51 10.447 -2.817 -2.133 1.00 0.00 C ATOM 715 C LEU A 51 11.249 -3.453 -0.992 1.00 0.00 C ATOM 716 O LEU A 51 12.472 -3.303 -0.950 1.00 0.00 O ATOM 717 CB LEU A 51 9.701 -1.566 -1.630 1.00 0.00 C ATOM 718 CG LEU A 51 9.737 -0.330 -2.546 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.142 0.278 -2.618 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.250 -0.627 -3.961 1.00 0.00 C ATOM 0 H LEU A 51 8.514 -3.481 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 51 11.168 -2.539 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.658 -1.835 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.118 -1.286 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 51 9.052 0.387 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.129 1.149 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.459 0.580 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.839 -0.462 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.298 0.282 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.883 -1.392 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.221 -0.983 -3.924 1.00 0.00 H new ATOM 732 N LYS A 52 10.593 -4.186 -0.079 1.00 0.00 N ATOM 733 CA LYS A 52 11.253 -4.884 1.039 1.00 0.00 C ATOM 734 C LYS A 52 12.234 -5.950 0.538 1.00 0.00 C ATOM 735 O LYS A 52 13.355 -6.017 1.043 1.00 0.00 O ATOM 736 CB LYS A 52 10.203 -5.498 1.990 1.00 0.00 C ATOM 737 CG LYS A 52 9.448 -4.421 2.793 1.00 0.00 C ATOM 738 CD LYS A 52 8.383 -5.007 3.735 1.00 0.00 C ATOM 739 CE LYS A 52 9.034 -5.702 4.931 1.00 0.00 C ATOM 740 NZ LYS A 52 8.022 -6.336 5.813 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.581 -4.313 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 52 11.832 -4.148 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.490 -6.085 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.696 -6.184 2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.164 -3.844 3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.970 -3.728 2.100 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.725 -4.212 4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.762 -5.718 3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.733 -6.459 4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.613 -4.977 5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.503 -6.869 6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.422 -5.600 6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.431 -6.984 5.254 1.00 0.00 H new ATOM 754 N ALA A 53 11.859 -6.723 -0.488 1.00 0.00 N ATOM 755 CA ALA A 53 12.736 -7.707 -1.122 1.00 0.00 C ATOM 756 C ALA A 53 13.971 -7.055 -1.781 1.00 0.00 C ATOM 757 O ALA A 53 15.091 -7.513 -1.564 1.00 0.00 O ATOM 758 CB ALA A 53 11.919 -8.518 -2.138 1.00 0.00 C ATOM 0 H ALA A 53 10.928 -6.680 -0.904 1.00 0.00 H new ATOM 0 HA ALA A 53 13.126 -8.373 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.563 -9.255 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.103 -9.028 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.510 -7.848 -2.894 1.00 0.00 H new ATOM 764 N ALA A 54 13.795 -5.963 -2.536 1.00 0.00 N ATOM 765 CA ALA A 54 14.894 -5.246 -3.188 1.00 0.00 C ATOM 766 C ALA A 54 15.878 -4.624 -2.179 1.00 0.00 C ATOM 767 O ALA A 54 17.096 -4.762 -2.328 1.00 0.00 O ATOM 768 CB ALA A 54 14.300 -4.182 -4.118 1.00 0.00 C ATOM 0 H ALA A 54 12.879 -5.551 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 54 15.479 -5.960 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.106 -3.639 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.674 -4.664 -4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.697 -3.486 -3.536 1.00 0.00 H new ATOM 774 N ASN A 55 15.357 -3.984 -1.125 1.00 0.00 N ATOM 775 CA ASN A 55 16.141 -3.388 -0.038 1.00 0.00 C ATOM 776 C ASN A 55 16.971 -4.459 0.701 1.00 0.00 C ATOM 777 O ASN A 55 18.177 -4.283 0.896 1.00 0.00 O ATOM 778 CB ASN A 55 15.156 -2.625 0.870 1.00 0.00 C ATOM 779 CG ASN A 55 15.818 -1.749 1.919 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.711 -2.153 2.650 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.387 -0.513 2.057 1.00 0.00 N ATOM 0 H ASN A 55 14.352 -3.864 -1.002 1.00 0.00 H new ATOM 0 HA ASN A 55 16.881 -2.683 -0.418 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.514 -2.002 0.247 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.510 -3.346 1.371 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.797 0.094 2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.643 -0.162 1.454 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.428 -13.776 -1.102 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.439 -13.123 -0.263 1.00 0.00 C ATOM 1056 C PRO B 110 -9.902 -11.936 0.551 1.00 0.00 C ATOM 1057 O PRO B 110 -8.738 -11.906 0.950 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.016 -14.229 0.630 1.00 0.00 C ATOM 1059 CG PRO B 110 -9.924 -15.291 0.652 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.319 -15.183 -0.744 1.00 0.00 C ATOM 0 HA PRO B 110 -11.207 -12.667 -0.889 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.234 -13.860 1.632 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -11.948 -14.623 0.225 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.185 -15.095 1.429 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.330 -16.285 0.841 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.279 -15.511 -0.749 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -9.855 -15.812 -1.455 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.769 -10.943 0.799 1.00 0.00 N ATOM 1069 CA ILE B 111 -10.369 -9.638 1.348 1.00 0.00 C ATOM 1070 C ILE B 111 -9.700 -9.714 2.730 1.00 0.00 C ATOM 1071 O ILE B 111 -8.757 -8.972 2.996 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.563 -8.659 1.322 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -11.099 -7.241 1.719 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.738 -9.111 2.207 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -12.026 -6.145 1.195 1.00 0.00 C ATOM 0 H ILE B 111 -11.771 -11.022 0.624 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.587 -9.250 0.695 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.937 -8.648 0.298 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -11.042 -7.173 2.805 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -10.092 -7.073 1.336 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.544 -8.379 2.144 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -13.100 -10.080 1.864 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -12.404 -9.194 3.241 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -11.649 -5.170 1.505 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -12.063 -6.190 0.107 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -13.028 -6.292 1.599 1.00 0.00 H new ATOM 1087 N ASP B 112 -10.136 -10.632 3.594 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.549 -10.823 4.927 1.00 0.00 C ATOM 1089 C ASP B 112 -8.075 -11.258 4.868 1.00 0.00 C ATOM 1090 O ASP B 112 -7.286 -10.859 5.723 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.367 -11.849 5.727 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.827 -11.444 6.009 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -12.634 -12.348 6.334 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -12.179 -10.241 5.950 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.908 -11.267 3.391 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.580 -9.856 5.428 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -10.367 -12.794 5.184 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -9.866 -12.028 6.678 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.680 -12.030 3.851 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.293 -12.457 3.644 1.00 0.00 C ATOM 1101 C GLU B 113 -5.410 -11.273 3.224 1.00 0.00 C ATOM 1102 O GLU B 113 -4.453 -10.957 3.928 1.00 0.00 O ATOM 1103 CB GLU B 113 -6.233 -13.615 2.632 1.00 0.00 C ATOM 1104 CG GLU B 113 -6.310 -15.005 3.276 1.00 0.00 C ATOM 1105 CD GLU B 113 -7.414 -15.169 4.343 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -8.619 -15.079 4.005 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -7.070 -15.428 5.522 1.00 0.00 O1- ATOM 0 H GLU B 113 -8.322 -12.380 3.140 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.896 -12.828 4.589 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -7.053 -13.508 1.922 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -5.307 -13.540 2.062 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -6.471 -15.744 2.491 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -5.347 -15.231 3.734 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.730 -10.572 2.128 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.926 -9.425 1.671 1.00 0.00 C ATOM 1116 C LEU B 114 -4.906 -8.258 2.678 1.00 0.00 C ATOM 1117 O LEU B 114 -3.897 -7.554 2.785 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.299 -9.004 0.230 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.789 -8.774 -0.097 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -7.262 -7.381 0.314 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.047 -8.904 -1.594 1.00 0.00 C ATOM 0 H LEU B 114 -6.538 -10.777 1.541 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.890 -9.761 1.628 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.762 -8.084 0.002 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -4.923 -9.769 -0.449 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.334 -9.533 0.464 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -8.317 -7.266 0.064 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -7.128 -7.253 1.388 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -6.679 -6.628 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.105 -8.737 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.454 -8.164 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -6.767 -9.904 -1.926 1.00 0.00 H new ATOM 1133 N SER B 115 -5.972 -8.088 3.470 1.00 0.00 N ATOM 1134 CA SER B 115 -6.051 -7.077 4.531 1.00 0.00 C ATOM 1135 C SER B 115 -5.200 -7.439 5.759 1.00 0.00 C ATOM 1136 O SER B 115 -4.616 -6.557 6.394 1.00 0.00 O ATOM 1137 CB SER B 115 -7.516 -6.888 4.944 1.00 0.00 C ATOM 1138 OG SER B 115 -7.619 -5.860 5.910 1.00 0.00 O ATOM 0 H SER B 115 -6.815 -8.657 3.391 1.00 0.00 H new ATOM 0 HA SER B 115 -5.647 -6.147 4.130 1.00 0.00 H new ATOM 0 HB2 SER B 115 -8.119 -6.639 4.071 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.911 -7.820 5.349 1.00 0.00 H new ATOM 0 HG SER B 115 -8.558 -5.745 6.167 1.00 0.00 H new ATOM 1144 N ALA B 116 -5.096 -8.728 6.110 1.00 0.00 N ATOM 1145 CA ALA B 116 -4.195 -9.206 7.156 1.00 0.00 C ATOM 1146 C ALA B 116 -2.725 -9.253 6.696 1.00 0.00 C ATOM 1147 O ALA B 116 -1.823 -9.075 7.516 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.653 -10.593 7.610 1.00 0.00 C ATOM 0 H ALA B 116 -5.641 -9.470 5.670 1.00 0.00 H new ATOM 0 HA ALA B 116 -4.239 -8.501 7.986 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.986 -10.959 8.391 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.669 -10.531 8.000 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.630 -11.279 6.763 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.454 -9.507 5.410 1.00 0.00 N ATOM 1155 CA LEU B 117 -1.095 -9.577 4.856 1.00 0.00 C ATOM 1156 C LEU B 117 -0.360 -8.236 4.979 1.00 0.00 C ATOM 1157 O LEU B 117 0.769 -8.222 5.466 1.00 0.00 O ATOM 1158 CB LEU B 117 -1.127 -10.070 3.390 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.655 -11.528 3.214 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.537 -12.554 3.927 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.629 -11.886 1.729 1.00 0.00 C ATOM 0 H LEU B 117 -3.182 -9.672 4.715 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.534 -10.302 5.446 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -2.144 -9.978 3.008 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.498 -9.418 2.783 1.00 0.00 H new ATOM 0 HG LEU B 117 0.337 -11.574 3.663 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -1.141 -13.555 3.757 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.547 -12.345 4.997 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.553 -12.494 3.537 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.295 -12.917 1.609 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.630 -11.778 1.311 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.057 -11.219 1.206 1.00 0.00 H new ATOM 1173 N LEU B 118 -0.986 -7.107 4.617 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.342 -5.790 4.741 1.00 0.00 C ATOM 1175 C LEU B 118 -0.061 -5.408 6.207 1.00 0.00 C ATOM 1176 O LEU B 118 0.986 -4.833 6.504 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.141 -4.727 3.955 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.461 -4.273 4.610 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.293 -3.004 5.442 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.498 -3.975 3.541 1.00 0.00 C ATOM 0 H LEU B 118 -1.932 -7.078 4.238 1.00 0.00 H new ATOM 0 HA LEU B 118 0.646 -5.842 4.283 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.506 -3.852 3.812 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.364 -5.124 2.965 1.00 0.00 H new ATOM 0 HG LEU B 118 -2.777 -5.089 5.260 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.251 -2.727 5.881 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -1.568 -3.183 6.236 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -1.939 -2.195 4.804 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.427 -3.655 4.014 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.131 -3.182 2.889 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.682 -4.873 2.952 1.00 0.00 H new ATOM 1192 N ARG B 119 -0.948 -5.781 7.138 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.754 -5.573 8.584 1.00 0.00 C ATOM 1194 C ARG B 119 0.381 -6.442 9.139 1.00 0.00 C ATOM 1195 O ARG B 119 1.224 -5.932 9.877 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.088 -5.793 9.314 1.00 0.00 C ATOM 1197 CG ARG B 119 -2.991 -4.557 9.142 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.348 -4.704 9.838 1.00 0.00 C ATOM 1199 NE ARG B 119 -5.294 -5.501 9.035 1.00 0.00 N ATOM 1200 CZ ARG B 119 -6.437 -6.012 9.440 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -6.825 -5.960 10.682 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -7.237 -6.596 8.607 1.00 0.00 N ATOM 0 H ARG B 119 -1.830 -6.240 6.910 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.440 -4.544 8.758 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.588 -6.677 8.918 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -1.907 -5.977 10.373 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -2.478 -3.681 9.540 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.152 -4.377 8.079 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -4.208 -5.177 10.810 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.770 -3.716 10.022 1.00 0.00 H new ATOM 0 HE ARG B 119 -5.035 -5.674 8.064 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -6.235 -5.511 11.382 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -7.719 -6.369 10.955 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -6.985 -6.665 7.621 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -8.120 -6.987 8.936 1.00 0.00 H new ATOM 1216 N GLN B 120 0.487 -7.699 8.717 1.00 0.00 N ATOM 1217 CA GLN B 120 1.603 -8.591 9.071 1.00 0.00 C ATOM 1218 C GLN B 120 2.946 -8.166 8.440 1.00 0.00 C ATOM 1219 O GLN B 120 3.987 -8.301 9.078 1.00 0.00 O ATOM 1220 CB GLN B 120 1.239 -10.035 8.692 1.00 0.00 C ATOM 1221 CG GLN B 120 0.231 -10.643 9.680 1.00 0.00 C ATOM 1222 CD GLN B 120 -0.333 -11.965 9.170 1.00 0.00 C ATOM 1223 OE1 GLN B 120 0.002 -13.048 9.640 1.00 0.00 O ATOM 1224 NE2 GLN B 120 -1.195 -11.927 8.172 1.00 0.00 N ATOM 0 H GLN B 120 -0.206 -8.139 8.111 1.00 0.00 H new ATOM 0 HA GLN B 120 1.753 -8.521 10.148 1.00 0.00 H new ATOM 0 HB2 GLN B 120 0.819 -10.053 7.686 1.00 0.00 H new ATOM 0 HB3 GLN B 120 2.142 -10.645 8.671 1.00 0.00 H new ATOM 0 HG2 GLN B 120 0.716 -10.802 10.643 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -0.585 -9.940 9.846 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -1.478 -11.030 7.776 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -1.578 -12.794 7.796 1.00 0.00 H new ATOM 1233 N GLU B 121 2.955 -7.582 7.235 1.00 0.00 N ATOM 1234 CA GLU B 121 4.154 -6.967 6.628 1.00 0.00 C ATOM 1235 C GLU B 121 4.635 -5.705 7.380 1.00 0.00 C ATOM 1236 O GLU B 121 5.825 -5.380 7.349 1.00 0.00 O ATOM 1237 CB GLU B 121 3.884 -6.623 5.147 1.00 0.00 C ATOM 1238 CG GLU B 121 3.870 -7.833 4.199 1.00 0.00 C ATOM 1239 CD GLU B 121 5.231 -8.544 4.036 1.00 0.00 C ATOM 1240 OE1 GLU B 121 5.258 -9.634 3.419 1.00 0.00 O ATOM 1241 OE2 GLU B 121 6.280 -8.024 4.488 1.00 0.00 O1- ATOM 0 H GLU B 121 2.126 -7.520 6.645 1.00 0.00 H new ATOM 0 HA GLU B 121 4.953 -7.705 6.701 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.924 -6.112 5.076 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.645 -5.921 4.807 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.140 -8.555 4.565 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.528 -7.504 3.218 1.00 0.00 H new ATOM 1248 N MET B 122 3.735 -5.014 8.084 1.00 0.00 N ATOM 1249 CA MET B 122 4.030 -3.925 9.032 1.00 0.00 C ATOM 1250 C MET B 122 4.321 -4.433 10.463 1.00 0.00 C ATOM 1251 O MET B 122 4.599 -3.636 11.363 1.00 0.00 O ATOM 1252 CB MET B 122 2.868 -2.920 9.040 1.00 0.00 C ATOM 1253 CG MET B 122 2.686 -2.245 7.675 1.00 0.00 C ATOM 1254 SD MET B 122 1.137 -1.320 7.543 1.00 0.00 S ATOM 1255 CE MET B 122 0.928 -1.394 5.745 1.00 0.00 C ATOM 0 H MET B 122 2.735 -5.203 8.009 1.00 0.00 H new ATOM 0 HA MET B 122 4.942 -3.434 8.691 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.947 -3.432 9.317 1.00 0.00 H new ATOM 0 HB3 MET B 122 3.051 -2.160 9.799 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.522 -1.569 7.496 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.717 -3.004 6.894 1.00 0.00 H new ATOM 0 HE1 MET B 122 0.014 -0.871 5.463 1.00 0.00 H new ATOM 0 HE2 MET B 122 1.781 -0.921 5.260 1.00 0.00 H new ATOM 0 HE3 MET B 122 0.862 -2.435 5.429 1.00 0.00 H new ATOM 1349 N SER B 133 -17.194 0.127 4.699 1.00 0.00 N ATOM 1350 CA SER B 133 -17.658 1.493 4.377 1.00 0.00 C ATOM 1351 C SER B 133 -16.496 2.375 3.888 1.00 0.00 C ATOM 1352 O SER B 133 -15.328 2.016 4.054 1.00 0.00 O ATOM 1353 CB SER B 133 -18.335 2.115 5.610 1.00 0.00 C ATOM 1354 OG SER B 133 -18.959 3.346 5.292 1.00 0.00 O ATOM 0 HA SER B 133 -18.384 1.431 3.567 1.00 0.00 H new ATOM 0 HB2 SER B 133 -19.076 1.422 6.008 1.00 0.00 H new ATOM 0 HB3 SER B 133 -17.593 2.273 6.393 1.00 0.00 H new ATOM 0 HG SER B 133 -19.382 3.716 6.095 1.00 0.00 H new ATOM 1360 N MET B 134 -16.796 3.542 3.301 1.00 0.00 N ATOM 1361 CA MET B 134 -15.819 4.448 2.674 1.00 0.00 C ATOM 1362 C MET B 134 -14.712 4.909 3.641 1.00 0.00 C ATOM 1363 O MET B 134 -13.535 4.947 3.273 1.00 0.00 O ATOM 1364 CB MET B 134 -16.560 5.651 2.070 1.00 0.00 C ATOM 1365 CG MET B 134 -15.688 6.480 1.103 1.00 0.00 C ATOM 1366 SD MET B 134 -15.929 6.145 -0.667 1.00 0.00 S ATOM 1367 CE MET B 134 -15.151 4.515 -0.842 1.00 0.00 C ATOM 0 H MET B 134 -17.752 3.893 3.247 1.00 0.00 H new ATOM 0 HA MET B 134 -15.310 3.892 1.887 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.443 5.296 1.539 1.00 0.00 H new ATOM 0 HB3 MET B 134 -16.910 6.296 2.876 1.00 0.00 H new ATOM 0 HG2 MET B 134 -15.884 7.537 1.283 1.00 0.00 H new ATOM 0 HG3 MET B 134 -14.640 6.304 1.347 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.017 4.287 -1.900 1.00 0.00 H new ATOM 0 HE2 MET B 134 -14.180 4.520 -0.346 1.00 0.00 H new ATOM 0 HE3 MET B 134 -15.788 3.757 -0.386 1.00 0.00 H new ATOM 1377 N GLN B 135 -15.058 5.198 4.898 1.00 0.00 N ATOM 1378 CA GLN B 135 -14.099 5.600 5.934 1.00 0.00 C ATOM 1379 C GLN B 135 -13.148 4.456 6.338 1.00 0.00 C ATOM 1380 O GLN B 135 -12.013 4.714 6.739 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.889 6.147 7.137 1.00 0.00 C ATOM 1382 CG GLN B 135 -14.021 6.742 8.261 1.00 0.00 C ATOM 1383 CD GLN B 135 -13.093 7.876 7.820 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -11.905 7.899 8.123 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -13.572 8.844 7.068 1.00 0.00 N ATOM 0 H GLN B 135 -16.022 5.160 5.230 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.450 6.380 5.535 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -15.577 6.915 6.783 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -15.495 5.342 7.552 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -14.676 7.113 9.050 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -13.418 5.945 8.696 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -14.557 8.845 6.804 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -12.958 9.594 6.749 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.570 3.192 6.211 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.712 2.026 6.469 1.00 0.00 C ATOM 1396 C ASP B 136 -11.670 1.854 5.355 1.00 0.00 C ATOM 1397 O ASP B 136 -10.472 1.782 5.632 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.534 0.732 6.614 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.682 0.754 7.637 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -14.688 1.576 8.586 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -15.580 -0.112 7.500 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.518 2.947 5.926 1.00 0.00 H new ATOM 0 HA ASP B 136 -12.199 2.212 7.413 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -13.952 0.483 5.639 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -12.853 -0.075 6.884 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.107 1.836 4.087 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.210 1.708 2.925 1.00 0.00 C ATOM 1408 C ILE B 137 -10.256 2.906 2.797 1.00 0.00 C ATOM 1409 O ILE B 137 -9.084 2.686 2.501 1.00 0.00 O ATOM 1410 CB ILE B 137 -11.994 1.411 1.621 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.030 1.215 0.423 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.061 2.467 1.316 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -11.702 1.000 -0.942 1.00 0.00 C ATOM 0 H ILE B 137 -13.093 1.910 3.836 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.575 0.840 3.100 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.529 0.475 1.783 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.382 2.088 0.355 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.390 0.358 0.632 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.577 2.206 0.392 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.780 2.505 2.135 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.587 3.442 1.204 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -10.937 0.874 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.327 0.108 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.319 1.865 -1.184 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.687 4.145 3.080 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.783 5.307 3.068 1.00 0.00 C ATOM 1427 C GLN B 138 -8.599 5.141 4.036 1.00 0.00 C ATOM 1428 O GLN B 138 -7.460 5.389 3.651 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.550 6.599 3.392 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.306 7.153 2.178 1.00 0.00 C ATOM 1431 CD GLN B 138 -12.087 8.414 2.547 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -13.290 8.388 2.764 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.443 9.562 2.666 1.00 0.00 N ATOM 0 H GLN B 138 -11.653 4.368 3.319 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.375 5.374 2.060 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.257 6.406 4.199 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.850 7.352 3.755 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.601 7.379 1.378 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -11.991 6.396 1.795 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.439 9.604 2.489 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -11.950 10.406 2.935 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.842 4.680 5.269 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.772 4.399 6.239 1.00 0.00 C ATOM 1444 C GLN B 139 -6.923 3.188 5.820 1.00 0.00 C ATOM 1445 O GLN B 139 -5.694 3.264 5.814 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.379 4.186 7.636 1.00 0.00 C ATOM 1447 CG GLN B 139 -8.954 5.487 8.225 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.715 5.219 9.520 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -9.216 5.405 10.625 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -10.934 4.733 9.435 1.00 0.00 N ATOM 0 H GLN B 139 -9.780 4.492 5.623 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.105 5.260 6.267 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.168 3.436 7.577 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.615 3.792 8.306 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -8.145 6.192 8.415 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.620 5.954 7.499 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -11.357 4.575 8.521 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -11.456 4.514 10.283 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.562 2.084 5.425 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.904 0.809 5.108 1.00 0.00 C ATOM 1461 C LEU B 140 -6.018 0.876 3.847 1.00 0.00 C ATOM 1462 O LEU B 140 -4.896 0.363 3.854 1.00 0.00 O ATOM 1463 CB LEU B 140 -8.020 -0.249 4.990 1.00 0.00 C ATOM 1464 CG LEU B 140 -7.572 -1.675 4.640 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -6.622 -2.259 5.685 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -8.812 -2.570 4.544 1.00 0.00 C ATOM 0 H LEU B 140 -8.575 2.049 5.313 1.00 0.00 H new ATOM 0 HA LEU B 140 -6.205 0.545 5.902 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.561 -0.283 5.936 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -8.727 0.083 4.230 1.00 0.00 H new ATOM 0 HG LEU B 140 -7.036 -1.633 3.692 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -6.334 -3.269 5.391 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -5.732 -1.634 5.757 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -7.122 -2.291 6.653 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -8.508 -3.587 4.296 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -9.335 -2.571 5.500 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -9.476 -2.190 3.768 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.482 1.551 2.791 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.747 1.742 1.536 1.00 0.00 C ATOM 1480 C LEU B 141 -4.682 2.861 1.631 1.00 0.00 C ATOM 1481 O LEU B 141 -3.702 2.845 0.889 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.780 1.966 0.416 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.240 1.936 -1.026 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.620 0.585 -1.383 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.389 2.178 -2.009 1.00 0.00 C ATOM 0 H LEU B 141 -7.402 1.991 2.785 1.00 0.00 H new ATOM 0 HA LEU B 141 -5.163 0.851 1.307 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.554 1.204 0.507 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.260 2.930 0.581 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.477 2.711 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.253 0.613 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.791 0.375 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.373 -0.197 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -7.006 2.157 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -8.142 1.399 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.839 3.151 -1.811 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.828 3.808 2.571 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.767 4.762 2.918 1.00 0.00 C ATOM 1499 C ALA B 142 -2.636 4.133 3.757 1.00 0.00 C ATOM 1500 O ALA B 142 -1.480 4.530 3.614 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.377 5.959 3.657 1.00 0.00 C ATOM 0 H ALA B 142 -5.685 3.933 3.110 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.309 5.089 1.984 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.590 6.667 3.915 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.109 6.448 3.015 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.866 5.613 4.568 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.939 3.148 4.616 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.976 2.470 5.487 1.00 0.00 C ATOM 1509 C LYS B 143 -0.896 1.716 4.703 1.00 0.00 C ATOM 1510 O LYS B 143 0.288 1.833 5.035 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.796 1.546 6.403 1.00 0.00 C ATOM 1512 CG LYS B 143 -2.020 0.822 7.500 1.00 0.00 C ATOM 1513 CD LYS B 143 -1.349 1.761 8.514 1.00 0.00 C ATOM 1514 CE LYS B 143 -0.795 0.949 9.687 1.00 0.00 C ATOM 1515 NZ LYS B 143 -0.144 1.819 10.703 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.889 2.793 4.724 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.416 3.196 6.076 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.581 2.139 6.873 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -3.289 0.798 5.782 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -2.699 0.155 8.032 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -1.256 0.197 7.038 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -0.544 2.316 8.032 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -2.069 2.494 8.876 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -1.604 0.387 10.154 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -0.074 0.221 9.316 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 0.218 1.232 11.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 0.644 2.336 10.263 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -0.839 2.498 11.075 1.00 0.00 H new ATOM 1529 N SER B 144 -1.273 1.014 3.635 1.00 0.00 N ATOM 1530 CA SER B 144 -0.320 0.395 2.701 1.00 0.00 C ATOM 1531 C SER B 144 0.500 1.447 1.934 1.00 0.00 C ATOM 1532 O SER B 144 1.725 1.342 1.880 1.00 0.00 O ATOM 1533 CB SER B 144 -1.058 -0.544 1.742 1.00 0.00 C ATOM 1534 OG SER B 144 -2.073 0.152 1.041 1.00 0.00 O ATOM 0 H SER B 144 -2.250 0.855 3.388 1.00 0.00 H new ATOM 0 HA SER B 144 0.391 -0.190 3.284 1.00 0.00 H new ATOM 0 HB2 SER B 144 -0.352 -0.977 1.034 1.00 0.00 H new ATOM 0 HB3 SER B 144 -1.497 -1.371 2.301 1.00 0.00 H new ATOM 0 HG SER B 144 -2.291 -0.330 0.216 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.138 2.499 1.411 1.00 0.00 N ATOM 1541 CA LEU B 145 0.512 3.596 0.681 1.00 0.00 C ATOM 1542 C LEU B 145 1.556 4.342 1.541 1.00 0.00 C ATOM 1543 O LEU B 145 2.647 4.664 1.066 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.609 4.488 0.108 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.236 5.735 -0.719 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.090 6.948 0.149 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.906 5.477 -1.703 1.00 0.00 C ATOM 0 H LEU B 145 -1.149 2.616 1.485 1.00 0.00 H new ATOM 0 HA LEU B 145 1.110 3.215 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.241 3.858 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.221 4.822 0.945 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.133 5.963 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.345 7.794 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.777 7.202 0.760 1.00 0.00 H new ATOM 0 HD13 LEU B 145 0.935 6.715 0.797 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.123 6.391 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.795 5.164 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.615 4.692 -2.400 1.00 0.00 H new ATOM 1559 N THR B 146 1.276 4.542 2.830 1.00 0.00 N ATOM 1560 CA THR B 146 2.226 5.119 3.800 1.00 0.00 C ATOM 1561 C THR B 146 3.494 4.267 3.930 1.00 0.00 C ATOM 1562 O THR B 146 4.608 4.797 3.959 1.00 0.00 O ATOM 1563 CB THR B 146 1.541 5.298 5.170 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.445 6.181 5.056 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.465 5.894 6.232 1.00 0.00 C ATOM 0 H THR B 146 0.373 4.307 3.241 1.00 0.00 H new ATOM 0 HA THR B 146 2.533 6.097 3.429 1.00 0.00 H new ATOM 0 HB THR B 146 1.238 4.297 5.476 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.285 5.736 4.577 1.00 0.00 H new ATOM 0 HG21 THR B 146 1.922 5.994 7.172 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.324 5.238 6.377 1.00 0.00 H new ATOM 0 HG23 THR B 146 2.809 6.875 5.906 1.00 0.00 H new ATOM 1573 N GLU B 147 3.363 2.938 3.944 1.00 0.00 N ATOM 1574 CA GLU B 147 4.508 2.017 4.027 1.00 0.00 C ATOM 1575 C GLU B 147 5.307 1.941 2.713 1.00 0.00 C ATOM 1576 O GLU B 147 6.534 1.849 2.755 1.00 0.00 O ATOM 1577 CB GLU B 147 4.012 0.636 4.485 1.00 0.00 C ATOM 1578 CG GLU B 147 5.139 -0.278 5.000 1.00 0.00 C ATOM 1579 CD GLU B 147 5.876 0.306 6.226 1.00 0.00 C ATOM 1580 OE1 GLU B 147 5.229 0.912 7.115 1.00 0.00 O ATOM 1581 OE2 GLU B 147 7.119 0.172 6.316 1.00 0.00 O1- ATOM 0 H GLU B 147 2.460 2.466 3.898 1.00 0.00 H new ATOM 0 HA GLU B 147 5.210 2.405 4.765 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.272 0.767 5.274 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.507 0.145 3.653 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.720 -1.249 5.263 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.857 -0.448 4.198 1.00 0.00 H new ATOM 1588 N ILE B 148 4.650 2.069 1.549 1.00 0.00 N ATOM 1589 CA ILE B 148 5.318 2.206 0.234 1.00 0.00 C ATOM 1590 C ILE B 148 6.252 3.431 0.235 1.00 0.00 C ATOM 1591 O ILE B 148 7.429 3.306 -0.110 1.00 0.00 O ATOM 1592 CB ILE B 148 4.280 2.298 -0.917 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.494 0.983 -1.090 1.00 0.00 C ATOM 1594 CG2 ILE B 148 4.941 2.673 -2.254 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.314 1.101 -2.067 1.00 0.00 C ATOM 0 H ILE B 148 3.632 2.081 1.488 1.00 0.00 H new ATOM 0 HA ILE B 148 5.919 1.313 0.062 1.00 0.00 H new ATOM 0 HB ILE B 148 3.585 3.088 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.173 0.207 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.120 0.661 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.181 2.727 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.432 3.641 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE B 148 5.680 1.917 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.805 0.140 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.615 1.854 -1.704 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.683 1.393 -3.050 1.00 0.00 H new ATOM 1607 N LYS B 149 5.749 4.599 0.660 1.00 0.00 N ATOM 1608 CA LYS B 149 6.525 5.853 0.751 1.00 0.00 C ATOM 1609 C LYS B 149 7.707 5.734 1.722 1.00 0.00 C ATOM 1610 O LYS B 149 8.817 6.152 1.383 1.00 0.00 O ATOM 1611 CB LYS B 149 5.597 7.012 1.158 1.00 0.00 C ATOM 1612 CG LYS B 149 4.660 7.434 0.015 1.00 0.00 C ATOM 1613 CD LYS B 149 3.670 8.503 0.500 1.00 0.00 C ATOM 1614 CE LYS B 149 2.764 9.014 -0.628 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.479 9.941 -1.545 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.778 4.705 0.955 1.00 0.00 H new ATOM 0 HA LYS B 149 6.946 6.057 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS B 149 5.003 6.713 2.021 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.199 7.867 1.466 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.245 7.823 -0.818 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.115 6.566 -0.356 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.054 8.089 1.298 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.223 9.340 0.926 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.381 8.167 -1.197 1.00 0.00 H new ATOM 0 HE3 LYS B 149 1.903 9.524 -0.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 2.788 10.454 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.034 10.621 -0.988 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.116 9.397 -2.161 1.00 0.00 H new ATOM 1629 N ARG B 150 7.502 5.104 2.885 1.00 0.00 N ATOM 1630 CA ARG B 150 8.546 4.815 3.886 1.00 0.00 C ATOM 1631 C ARG B 150 9.673 3.951 3.310 1.00 0.00 C ATOM 1632 O ARG B 150 10.846 4.295 3.453 1.00 0.00 O ATOM 1633 CB ARG B 150 7.884 4.171 5.125 1.00 0.00 C ATOM 1634 CG ARG B 150 8.890 3.832 6.240 1.00 0.00 C ATOM 1635 CD ARG B 150 8.157 3.339 7.491 1.00 0.00 C ATOM 1636 NE ARG B 150 9.113 2.932 8.545 1.00 0.00 N ATOM 1637 CZ ARG B 150 9.541 1.713 8.815 1.00 0.00 C ATOM 1638 NH1 ARG B 150 9.118 0.648 8.189 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 10.429 1.539 9.751 1.00 0.00 N ATOM 0 H ARG B 150 6.580 4.770 3.167 1.00 0.00 H new ATOM 0 HA ARG B 150 9.023 5.748 4.187 1.00 0.00 H new ATOM 0 HB2 ARG B 150 7.128 4.850 5.520 1.00 0.00 H new ATOM 0 HB3 ARG B 150 7.367 3.261 4.821 1.00 0.00 H new ATOM 0 HG2 ARG B 150 9.583 3.066 5.892 1.00 0.00 H new ATOM 0 HG3 ARG B 150 9.484 4.713 6.483 1.00 0.00 H new ATOM 0 HD2 ARG B 150 7.508 4.128 7.870 1.00 0.00 H new ATOM 0 HD3 ARG B 150 7.516 2.496 7.232 1.00 0.00 H new ATOM 0 HE ARG B 150 9.484 3.680 9.131 1.00 0.00 H new ATOM 0 HH11 ARG B 150 8.421 0.734 7.449 1.00 0.00 H new ATOM 0 HH12 ARG B 150 9.484 -0.270 8.440 1.00 0.00 H new ATOM 0 HH21 ARG B 150 10.788 2.341 10.269 1.00 0.00 H new ATOM 0 HH22 ARG B 150 10.766 0.601 9.967 1.00 0.00 H new ATOM 1653 N LEU B 151 9.329 2.869 2.610 1.00 0.00 N ATOM 1654 CA LEU B 151 10.304 1.976 1.970 1.00 0.00 C ATOM 1655 C LEU B 151 11.094 2.664 0.851 1.00 0.00 C ATOM 1656 O LEU B 151 12.321 2.534 0.807 1.00 0.00 O ATOM 1657 CB LEU B 151 9.586 0.726 1.423 1.00 0.00 C ATOM 1658 CG LEU B 151 9.810 -0.572 2.221 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.277 -1.002 2.235 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.305 -0.452 3.661 1.00 0.00 C ATOM 0 H LEU B 151 8.360 2.583 2.469 1.00 0.00 H new ATOM 0 HA LEU B 151 11.026 1.687 2.733 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.516 0.930 1.388 1.00 0.00 H new ATOM 0 HB3 LEU B 151 9.913 0.561 0.396 1.00 0.00 H new ATOM 0 HG LEU B 151 9.231 -1.337 1.705 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.381 -1.922 2.810 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.616 -1.173 1.213 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.882 -0.218 2.691 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.482 -1.389 4.188 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.836 0.355 4.167 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.237 -0.236 3.655 1.00 0.00 H new ATOM 1672 N LYS B 152 10.424 3.411 -0.039 1.00 0.00 N ATOM 1673 CA LYS B 152 11.080 4.147 -1.132 1.00 0.00 C ATOM 1674 C LYS B 152 12.060 5.200 -0.606 1.00 0.00 C ATOM 1675 O LYS B 152 13.178 5.286 -1.110 1.00 0.00 O ATOM 1676 CB LYS B 152 10.019 4.776 -2.052 1.00 0.00 C ATOM 1677 CG LYS B 152 9.344 3.709 -2.929 1.00 0.00 C ATOM 1678 CD LYS B 152 8.141 4.276 -3.696 1.00 0.00 C ATOM 1679 CE LYS B 152 7.388 3.152 -4.423 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.942 2.836 -5.760 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.410 3.522 -0.022 1.00 0.00 H new ATOM 0 HA LYS B 152 11.669 3.437 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.267 5.285 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.484 5.531 -2.686 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.070 3.308 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS B 152 9.017 2.878 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.469 4.784 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS B 152 8.480 5.020 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS B 152 7.411 2.253 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS B 152 6.342 3.437 -4.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 7.719 1.850 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.523 3.471 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 8.974 2.965 -5.747 1.00 0.00 H new ATOM 1694 N ALA B 153 11.687 5.933 0.449 1.00 0.00 N ATOM 1695 CA ALA B 153 12.569 6.880 1.131 1.00 0.00 C ATOM 1696 C ALA B 153 13.796 6.192 1.766 1.00 0.00 C ATOM 1697 O ALA B 153 14.925 6.649 1.578 1.00 0.00 O ATOM 1698 CB ALA B 153 11.735 7.646 2.168 1.00 0.00 C ATOM 0 H ALA B 153 10.753 5.883 0.856 1.00 0.00 H new ATOM 0 HA ALA B 153 12.981 7.578 0.402 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.371 8.360 2.691 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.929 8.179 1.664 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.312 6.943 2.886 1.00 0.00 H new ATOM 1704 N ALA B 154 13.599 5.067 2.467 1.00 0.00 N ATOM 1705 CA ALA B 154 14.687 4.312 3.102 1.00 0.00 C ATOM 1706 C ALA B 154 15.681 3.715 2.086 1.00 0.00 C ATOM 1707 O ALA B 154 16.895 3.834 2.266 1.00 0.00 O ATOM 1708 CB ALA B 154 14.057 3.224 3.981 1.00 0.00 C ATOM 0 H ALA B 154 12.677 4.654 2.610 1.00 0.00 H new ATOM 0 HA ALA B 154 15.281 4.995 3.710 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.844 2.647 4.466 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.428 3.689 4.740 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.451 2.562 3.362 1.00 0.00 H new ATOM 1714 N ASN B 155 15.173 3.119 0.998 1.00 0.00 N ATOM 1715 CA ASN B 155 15.978 2.557 -0.093 1.00 0.00 C ATOM 1716 C ASN B 155 16.799 3.647 -0.809 1.00 0.00 C ATOM 1717 O ASN B 155 17.997 3.487 -1.052 1.00 0.00 O ATOM 1718 CB ASN B 155 15.026 1.795 -1.042 1.00 0.00 C ATOM 1719 CG ASN B 155 15.724 0.869 -2.026 1.00 0.00 C ATOM 1720 OD1 ASN B 155 16.729 1.191 -2.638 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.214 -0.326 -2.215 1.00 0.00 N ATOM 0 H ASN B 155 14.169 3.013 0.850 1.00 0.00 H new ATOM 0 HA ASN B 155 16.717 1.859 0.299 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.329 1.209 -0.443 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.435 2.520 -1.602 1.00 0.00 H new ATOM 0 HD21 ASN B 155 15.658 -0.973 -2.867 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.374 -0.608 -1.710 1.00 0.00 H new ATOM 1728 N GLN B 156 16.190 4.805 -1.077 1.00 0.00 N ATOM 1729 CA GLN B 156 16.879 5.951 -1.682 1.00 0.00 C ATOM 1730 C GLN B 156 17.953 6.563 -0.758 1.00 0.00 C ATOM 1731 O GLN B 156 19.036 6.929 -1.225 1.00 0.00 O ATOM 1732 CB GLN B 156 15.831 6.997 -2.109 1.00 0.00 C ATOM 1733 CG GLN B 156 16.399 8.275 -2.754 1.00 0.00 C ATOM 1734 CD GLN B 156 17.157 8.062 -4.067 1.00 0.00 C ATOM 1735 OE1 GLN B 156 17.188 6.991 -4.664 1.00 0.00 O ATOM 1736 NE2 GLN B 156 17.798 9.091 -4.580 1.00 0.00 N ATOM 0 H GLN B 156 15.204 4.976 -0.881 1.00 0.00 H new ATOM 0 HA GLN B 156 17.421 5.599 -2.559 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.142 6.530 -2.813 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.248 7.281 -1.233 1.00 0.00 H new ATOM 0 HG2 GLN B 156 15.577 8.967 -2.936 1.00 0.00 H new ATOM 0 HG3 GLN B 156 17.068 8.756 -2.041 1.00 0.00 H new ATOM 0 HE21 GLN B 156 17.785 9.991 -4.100 1.00 0.00 H new ATOM 0 HE22 GLN B 156 18.307 8.988 -5.458 1.00 0.00 H new