USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 SER OG : rot 151:sc= 1.13 USER MOD Set 1.2: B 144 SER OG : rot -34:sc= 1.55 USER MOD Single : A 15 SER OG : rot 88:sc= 0.306 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 22 MET CE :methyl -174:sc= 0 (180deg=-0.0586) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0.492 K(o=0.49,f=-4.1!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.98 K(o=0.98,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 73:sc= 0.696 USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.09) USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= 2.18 (180deg=1.37) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 115 SER OG : rot 80:sc= 0.628 USER MOD Single : B 120 GLN : amide:sc= 0.348 X(o=0.35,f=0) USER MOD Single : B 122 MET CE :methyl -167:sc= -0.0333 (180deg=-0.196) USER MOD Single : B 133 SER OG : rot 34:sc= 0.051 USER MOD Single : B 134 MET CE :methyl -171:sc= -0.0299 (180deg=-0.258) USER MOD Single : B 135 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 138 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : B 139 GLN : amide:sc= 0.839 K(o=0.84,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 THR OG1 : rot 180:sc= 0 USER MOD Single : B 149 LYS NZ :NH3+ -164:sc= 1.33 (180deg=1.09) USER MOD Single : B 152 LYS NZ :NH3+ 148:sc= 1.34 (180deg=1.06) USER MOD Single : B 155 ASN : amide:sc= -0.0105 K(o=-0.01,f=-1.1) USER MOD Single : B 156 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.913 12.613 0.691 1.00 0.00 N ATOM 115 CA PRO A 10 -10.879 11.896 -0.152 1.00 0.00 C ATOM 116 C PRO A 10 -10.247 10.751 -0.952 1.00 0.00 C ATOM 117 O PRO A 10 -9.091 10.824 -1.368 1.00 0.00 O ATOM 118 CB PRO A 10 -11.518 12.957 -1.058 1.00 0.00 C ATOM 119 CG PRO A 10 -10.495 14.090 -1.073 1.00 0.00 C ATOM 120 CD PRO A 10 -9.879 14.024 0.324 1.00 0.00 C ATOM 0 HA PRO A 10 -11.628 11.400 0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.700 12.570 -2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.479 13.291 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.745 13.945 -1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.966 15.055 -1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.858 14.406 0.323 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.445 14.629 1.033 1.00 0.00 H new ATOM 128 N ILE A 11 -11.003 9.667 -1.170 1.00 0.00 N ATOM 129 CA ILE A 11 -10.448 8.407 -1.692 1.00 0.00 C ATOM 130 C ILE A 11 -9.882 8.508 -3.122 1.00 0.00 C ATOM 131 O ILE A 11 -8.941 7.795 -3.468 1.00 0.00 O ATOM 132 CB ILE A 11 -11.467 7.255 -1.537 1.00 0.00 C ATOM 133 CG1 ILE A 11 -10.743 5.911 -1.747 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.672 7.386 -2.486 1.00 0.00 C ATOM 135 CD1 ILE A 11 -11.420 4.736 -1.045 1.00 0.00 C ATOM 0 H ILE A 11 -12.007 9.636 -0.992 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.578 8.178 -1.077 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.877 7.304 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.686 5.701 -2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.719 5.999 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.351 6.548 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.195 8.320 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.324 7.383 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.856 3.823 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.453 4.923 0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.435 4.621 -1.425 1.00 0.00 H new ATOM 147 N ASP A 12 -10.384 9.450 -3.924 1.00 0.00 N ATOM 148 CA ASP A 12 -9.866 9.781 -5.256 1.00 0.00 C ATOM 149 C ASP A 12 -8.398 10.254 -5.238 1.00 0.00 C ATOM 150 O ASP A 12 -7.688 10.103 -6.232 1.00 0.00 O ATOM 151 CB ASP A 12 -10.742 10.881 -5.888 1.00 0.00 C ATOM 152 CG ASP A 12 -12.240 10.552 -5.896 1.00 0.00 C ATOM 153 OD1 ASP A 12 -12.764 10.154 -6.967 1.00 0.00 O ATOM 154 OD2 ASP A 12 -12.912 10.725 -4.847 1.00 0.00 O1- ATOM 0 H ASP A 12 -11.186 10.021 -3.658 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.901 8.864 -5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.587 11.813 -5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.412 11.051 -6.913 1.00 0.00 H new ATOM 159 N GLU A 13 -7.936 10.821 -4.116 1.00 0.00 N ATOM 160 CA GLU A 13 -6.551 11.256 -3.925 1.00 0.00 C ATOM 161 C GLU A 13 -5.636 10.100 -3.500 1.00 0.00 C ATOM 162 O GLU A 13 -4.675 9.807 -4.207 1.00 0.00 O ATOM 163 CB GLU A 13 -6.495 12.415 -2.918 1.00 0.00 C ATOM 164 CG GLU A 13 -7.204 13.696 -3.392 1.00 0.00 C ATOM 165 CD GLU A 13 -6.628 14.283 -4.696 1.00 0.00 C ATOM 166 OE1 GLU A 13 -5.388 14.279 -4.887 1.00 0.00 O ATOM 167 OE2 GLU A 13 -7.414 14.796 -5.532 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.527 10.992 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.176 11.611 -4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.946 12.089 -1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.451 12.648 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.262 13.481 -3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.138 14.448 -2.606 1.00 0.00 H new ATOM 174 N LEU A 14 -5.928 9.383 -2.405 1.00 0.00 N ATOM 175 CA LEU A 14 -5.069 8.267 -1.952 1.00 0.00 C ATOM 176 C LEU A 14 -4.976 7.130 -2.993 1.00 0.00 C ATOM 177 O LEU A 14 -3.914 6.520 -3.162 1.00 0.00 O ATOM 178 CB LEU A 14 -5.502 7.759 -0.563 1.00 0.00 C ATOM 179 CG LEU A 14 -6.911 7.138 -0.480 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.844 5.615 -0.504 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.627 7.548 0.802 1.00 0.00 C ATOM 0 H LEU A 14 -6.745 9.550 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.057 8.660 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.779 7.016 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.452 8.592 0.139 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.460 7.506 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.852 5.205 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.373 5.286 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.258 5.263 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.617 7.093 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.051 7.212 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.726 8.633 0.832 1.00 0.00 H new ATOM 193 N SER A 15 -6.058 6.875 -3.744 1.00 0.00 N ATOM 194 CA SER A 15 -6.088 5.899 -4.847 1.00 0.00 C ATOM 195 C SER A 15 -5.344 6.374 -6.102 1.00 0.00 C ATOM 196 O SER A 15 -4.930 5.544 -6.910 1.00 0.00 O ATOM 197 CB SER A 15 -7.526 5.528 -5.220 1.00 0.00 C ATOM 198 OG SER A 15 -8.214 4.993 -4.106 1.00 0.00 O ATOM 0 H SER A 15 -6.951 7.347 -3.601 1.00 0.00 H new ATOM 0 HA SER A 15 -5.565 5.020 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.050 6.411 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.519 4.801 -6.032 1.00 0.00 H new ATOM 0 HG SER A 15 -8.630 5.721 -3.598 1.00 0.00 H new ATOM 204 N ALA A 16 -5.124 7.685 -6.275 1.00 0.00 N ATOM 205 CA ALA A 16 -4.181 8.210 -7.268 1.00 0.00 C ATOM 206 C ALA A 16 -2.728 8.147 -6.761 1.00 0.00 C ATOM 207 O ALA A 16 -1.827 7.838 -7.543 1.00 0.00 O ATOM 208 CB ALA A 16 -4.552 9.650 -7.634 1.00 0.00 C ATOM 0 H ALA A 16 -5.594 8.408 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.248 7.583 -8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.846 10.031 -8.372 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.559 9.672 -8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.515 10.273 -6.741 1.00 0.00 H new ATOM 214 N LEU A 17 -2.481 8.390 -5.475 1.00 0.00 N ATOM 215 CA LEU A 17 -1.134 8.353 -4.896 1.00 0.00 C ATOM 216 C LEU A 17 -0.500 6.956 -4.992 1.00 0.00 C ATOM 217 O LEU A 17 0.669 6.862 -5.361 1.00 0.00 O ATOM 218 CB LEU A 17 -1.168 8.864 -3.443 1.00 0.00 C ATOM 219 CG LEU A 17 -0.794 10.350 -3.299 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.726 11.322 -4.023 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.798 10.736 -1.822 1.00 0.00 C ATOM 0 H LEU A 17 -3.211 8.619 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.498 9.018 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.167 8.709 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.483 8.266 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 17 0.190 10.438 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.381 12.344 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.724 11.101 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.738 11.215 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.533 11.788 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.791 10.570 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.072 10.126 -1.284 1.00 0.00 H new ATOM 233 N LEU A 18 -1.244 5.867 -4.741 1.00 0.00 N ATOM 234 CA LEU A 18 -0.711 4.505 -4.932 1.00 0.00 C ATOM 235 C LEU A 18 -0.367 4.202 -6.401 1.00 0.00 C ATOM 236 O LEU A 18 0.663 3.577 -6.665 1.00 0.00 O ATOM 237 CB LEU A 18 -1.620 3.457 -4.251 1.00 0.00 C ATOM 238 CG LEU A 18 -3.001 3.198 -4.882 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.987 2.093 -5.940 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.973 2.731 -3.796 1.00 0.00 C ATOM 0 H LEU A 18 -2.208 5.900 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 18 0.251 4.441 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.080 2.511 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.775 3.767 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.297 4.137 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.991 1.963 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.306 2.369 -6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.654 1.159 -5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.952 2.547 -4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.600 1.812 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.061 3.502 -3.030 1.00 0.00 H new ATOM 252 N ARG A 19 -1.161 4.708 -7.356 1.00 0.00 N ATOM 253 CA ARG A 19 -0.876 4.610 -8.798 1.00 0.00 C ATOM 254 C ARG A 19 0.394 5.384 -9.161 1.00 0.00 C ATOM 255 O ARG A 19 1.297 4.828 -9.781 1.00 0.00 O ATOM 256 CB ARG A 19 -2.088 5.104 -9.610 1.00 0.00 C ATOM 257 CG ARG A 19 -3.277 4.146 -9.527 1.00 0.00 C ATOM 258 CD ARG A 19 -4.478 4.750 -10.266 1.00 0.00 C ATOM 259 NE ARG A 19 -5.658 3.869 -10.204 1.00 0.00 N ATOM 260 CZ ARG A 19 -5.999 2.934 -11.074 1.00 0.00 C ATOM 261 NH1 ARG A 19 -5.250 2.603 -12.090 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -7.124 2.293 -10.922 1.00 0.00 N ATOM 0 H ARG A 19 -2.029 5.202 -7.148 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.699 3.564 -9.049 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.390 6.086 -9.245 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.797 5.227 -10.653 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.013 3.184 -9.967 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.535 3.960 -8.484 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.724 5.718 -9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.212 4.928 -11.308 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.278 3.994 -9.404 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.357 3.073 -12.240 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.557 1.874 -12.734 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.735 2.514 -10.136 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.393 1.570 -11.590 1.00 0.00 H new ATOM 276 N GLN A 20 0.496 6.630 -8.700 1.00 0.00 N ATOM 277 CA GLN A 20 1.640 7.521 -8.910 1.00 0.00 C ATOM 278 C GLN A 20 2.955 6.963 -8.338 1.00 0.00 C ATOM 279 O GLN A 20 3.981 7.014 -9.017 1.00 0.00 O ATOM 280 CB GLN A 20 1.313 8.895 -8.296 1.00 0.00 C ATOM 281 CG GLN A 20 0.305 9.707 -9.120 1.00 0.00 C ATOM 282 CD GLN A 20 -0.328 10.851 -8.320 1.00 0.00 C ATOM 283 OE1 GLN A 20 0.127 11.254 -7.250 1.00 0.00 O ATOM 284 NE2 GLN A 20 -1.401 11.446 -8.801 1.00 0.00 N ATOM 0 H GLN A 20 -0.244 7.065 -8.148 1.00 0.00 H new ATOM 0 HA GLN A 20 1.803 7.613 -9.984 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.917 8.750 -7.291 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.235 9.468 -8.196 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.805 10.116 -9.998 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.481 9.044 -9.481 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.803 11.136 -9.686 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.830 12.217 -8.289 1.00 0.00 H new ATOM 293 N GLU A 21 2.949 6.373 -7.133 1.00 0.00 N ATOM 294 CA GLU A 21 4.121 5.702 -6.542 1.00 0.00 C ATOM 295 C GLU A 21 4.547 4.448 -7.330 1.00 0.00 C ATOM 296 O GLU A 21 5.740 4.155 -7.423 1.00 0.00 O ATOM 297 CB GLU A 21 3.846 5.318 -5.072 1.00 0.00 C ATOM 298 CG GLU A 21 3.826 6.498 -4.086 1.00 0.00 C ATOM 299 CD GLU A 21 5.132 7.315 -4.010 1.00 0.00 C ATOM 300 OE1 GLU A 21 5.077 8.476 -3.528 1.00 0.00 O ATOM 301 OE2 GLU A 21 6.214 6.816 -4.394 1.00 0.00 O1- ATOM 0 H GLU A 21 2.124 6.347 -6.534 1.00 0.00 H new ATOM 0 HA GLU A 21 4.942 6.418 -6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.886 4.804 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.607 4.607 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.013 7.169 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.598 6.115 -3.091 1.00 0.00 H new ATOM 308 N MET A 22 3.590 3.731 -7.937 1.00 0.00 N ATOM 309 CA MET A 22 3.826 2.581 -8.825 1.00 0.00 C ATOM 310 C MET A 22 4.082 2.971 -10.297 1.00 0.00 C ATOM 311 O MET A 22 4.241 2.093 -11.149 1.00 0.00 O ATOM 312 CB MET A 22 2.666 1.578 -8.674 1.00 0.00 C ATOM 313 CG MET A 22 2.725 0.893 -7.306 1.00 0.00 C ATOM 314 SD MET A 22 1.535 -0.456 -7.057 1.00 0.00 S ATOM 315 CE MET A 22 0.056 0.473 -6.578 1.00 0.00 C ATOM 0 H MET A 22 2.599 3.941 -7.820 1.00 0.00 H new ATOM 0 HA MET A 22 4.755 2.105 -8.512 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.713 2.095 -8.788 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.719 0.830 -9.465 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.731 0.499 -7.159 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.562 1.646 -6.535 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.732 -0.222 -6.288 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.292 1.125 -5.737 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.284 1.076 -7.420 1.00 0.00 H new ATOM 325 N GLY A 23 4.158 4.270 -10.613 1.00 0.00 N ATOM 326 CA GLY A 23 4.475 4.784 -11.954 1.00 0.00 C ATOM 327 C GLY A 23 3.316 4.765 -12.970 1.00 0.00 C ATOM 328 O GLY A 23 3.543 5.031 -14.153 1.00 0.00 O ATOM 0 H GLY A 23 3.998 5.010 -9.930 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.830 5.810 -11.855 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.300 4.199 -12.361 1.00 0.00 H new ATOM 420 N MET A 34 -16.480 -4.688 -3.043 1.00 0.00 N ATOM 421 CA MET A 34 -15.488 -5.698 -2.636 1.00 0.00 C ATOM 422 C MET A 34 -14.465 -6.047 -3.731 1.00 0.00 C ATOM 423 O MET A 34 -13.281 -6.240 -3.447 1.00 0.00 O ATOM 424 CB MET A 34 -16.199 -6.960 -2.116 1.00 0.00 C ATOM 425 CG MET A 34 -16.549 -6.802 -0.631 1.00 0.00 C ATOM 426 SD MET A 34 -15.103 -6.941 0.463 1.00 0.00 S ATOM 427 CE MET A 34 -15.549 -5.749 1.752 1.00 0.00 C ATOM 0 HA MET A 34 -14.905 -5.251 -1.831 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.106 -7.138 -2.693 1.00 0.00 H new ATOM 0 HB3 MET A 34 -15.557 -7.830 -2.255 1.00 0.00 H new ATOM 0 HG2 MET A 34 -17.022 -5.832 -0.477 1.00 0.00 H new ATOM 0 HG3 MET A 34 -17.281 -7.561 -0.354 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.761 -5.715 2.504 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.670 -4.761 1.308 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.485 -6.053 2.221 1.00 0.00 H new ATOM 437 N GLN A 35 -14.887 -6.049 -4.997 1.00 0.00 N ATOM 438 CA GLN A 35 -14.015 -6.316 -6.148 1.00 0.00 C ATOM 439 C GLN A 35 -13.022 -5.173 -6.430 1.00 0.00 C ATOM 440 O GLN A 35 -11.905 -5.420 -6.880 1.00 0.00 O ATOM 441 CB GLN A 35 -14.878 -6.583 -7.392 1.00 0.00 C ATOM 442 CG GLN A 35 -15.909 -7.715 -7.184 1.00 0.00 C ATOM 443 CD GLN A 35 -17.281 -7.265 -6.662 1.00 0.00 C ATOM 444 OE1 GLN A 35 -17.487 -6.161 -6.164 1.00 0.00 O ATOM 445 NE2 GLN A 35 -18.281 -8.122 -6.733 1.00 0.00 N ATOM 0 H GLN A 35 -15.856 -5.863 -5.257 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.417 -7.194 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.403 -5.668 -7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.229 -6.841 -8.229 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.052 -8.233 -8.132 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.492 -8.440 -6.484 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -18.134 -9.045 -7.142 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -19.201 -7.862 -6.379 1.00 0.00 H new ATOM 454 N ASP A 36 -13.407 -3.929 -6.162 1.00 0.00 N ATOM 455 CA ASP A 36 -12.555 -2.744 -6.343 1.00 0.00 C ATOM 456 C ASP A 36 -11.507 -2.629 -5.223 1.00 0.00 C ATOM 457 O ASP A 36 -10.329 -2.386 -5.495 1.00 0.00 O ATOM 458 CB ASP A 36 -13.421 -1.472 -6.411 1.00 0.00 C ATOM 459 CG ASP A 36 -14.421 -1.436 -7.583 1.00 0.00 C ATOM 460 OD1 ASP A 36 -15.421 -0.683 -7.482 1.00 0.00 O ATOM 461 OD2 ASP A 36 -14.211 -2.120 -8.618 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.336 -3.705 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.018 -2.855 -7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.974 -1.375 -5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.764 -0.605 -6.485 1.00 0.00 H new ATOM 466 N ILE A 37 -11.915 -2.863 -3.970 1.00 0.00 N ATOM 467 CA ILE A 37 -11.014 -2.790 -2.807 1.00 0.00 C ATOM 468 C ILE A 37 -9.999 -3.943 -2.815 1.00 0.00 C ATOM 469 O ILE A 37 -8.818 -3.695 -2.573 1.00 0.00 O ATOM 470 CB ILE A 37 -11.791 -2.688 -1.466 1.00 0.00 C ATOM 471 CG1 ILE A 37 -10.827 -2.486 -0.270 1.00 0.00 C ATOM 472 CG2 ILE A 37 -12.723 -3.879 -1.244 1.00 0.00 C ATOM 473 CD1 ILE A 37 -11.540 -2.241 1.069 1.00 0.00 C ATOM 0 H ILE A 37 -12.876 -3.108 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.445 -1.864 -2.894 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.425 -1.804 -1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.191 -3.366 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.173 -1.641 -0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.244 -3.761 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.452 -3.927 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.139 -4.799 -1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.799 -2.109 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.155 -1.344 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.173 -3.096 1.306 1.00 0.00 H new ATOM 485 N GLN A 38 -10.399 -5.169 -3.179 1.00 0.00 N ATOM 486 CA GLN A 38 -9.479 -6.306 -3.312 1.00 0.00 C ATOM 487 C GLN A 38 -8.364 -6.026 -4.328 1.00 0.00 C ATOM 488 O GLN A 38 -7.199 -6.308 -4.040 1.00 0.00 O ATOM 489 CB GLN A 38 -10.225 -7.588 -3.718 1.00 0.00 C ATOM 490 CG GLN A 38 -10.927 -8.296 -2.545 1.00 0.00 C ATOM 491 CD GLN A 38 -11.707 -9.537 -2.993 1.00 0.00 C ATOM 492 OE1 GLN A 38 -12.897 -9.682 -2.738 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.094 -10.475 -3.687 1.00 0.00 N ATOM 0 H GLN A 38 -11.370 -5.400 -3.390 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.027 -6.450 -2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.967 -7.341 -4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.518 -8.279 -4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.184 -8.586 -1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.608 -7.598 -2.058 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.104 -10.378 -3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.610 -11.298 -3.999 1.00 0.00 H new ATOM 502 N GLN A 39 -8.679 -5.433 -5.484 1.00 0.00 N ATOM 503 CA GLN A 39 -7.683 -5.070 -6.501 1.00 0.00 C ATOM 504 C GLN A 39 -6.722 -3.980 -6.006 1.00 0.00 C ATOM 505 O GLN A 39 -5.510 -4.187 -6.021 1.00 0.00 O ATOM 506 CB GLN A 39 -8.370 -4.656 -7.813 1.00 0.00 C ATOM 507 CG GLN A 39 -8.957 -5.870 -8.555 1.00 0.00 C ATOM 508 CD GLN A 39 -9.770 -5.433 -9.768 1.00 0.00 C ATOM 509 OE1 GLN A 39 -9.288 -5.354 -10.893 1.00 0.00 O ATOM 510 NE2 GLN A 39 -11.033 -5.107 -9.586 1.00 0.00 N ATOM 0 H GLN A 39 -9.635 -5.190 -5.743 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.079 -5.956 -6.697 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.165 -3.942 -7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.651 -4.149 -8.456 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.150 -6.530 -8.873 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.589 -6.443 -7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.447 -5.168 -8.656 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.598 -4.793 -10.375 1.00 0.00 H new ATOM 519 N LEU A 40 -7.240 -2.844 -5.518 1.00 0.00 N ATOM 520 CA LEU A 40 -6.411 -1.708 -5.079 1.00 0.00 C ATOM 521 C LEU A 40 -5.511 -2.080 -3.886 1.00 0.00 C ATOM 522 O LEU A 40 -4.313 -1.783 -3.904 1.00 0.00 O ATOM 523 CB LEU A 40 -7.309 -0.510 -4.705 1.00 0.00 C ATOM 524 CG LEU A 40 -8.045 0.125 -5.895 1.00 0.00 C ATOM 525 CD1 LEU A 40 -9.134 1.072 -5.394 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.104 0.937 -6.788 1.00 0.00 C ATOM 0 H LEU A 40 -8.242 -2.685 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.763 -1.434 -5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.045 -0.838 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.696 0.252 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.469 -0.696 -6.473 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.649 1.517 -6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.849 0.516 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.682 1.860 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.668 1.367 -7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.649 1.738 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.323 0.286 -7.181 1.00 0.00 H new ATOM 538 N LEU A 41 -6.072 -2.748 -2.874 1.00 0.00 N ATOM 539 CA LEU A 41 -5.372 -3.091 -1.632 1.00 0.00 C ATOM 540 C LEU A 41 -4.363 -4.253 -1.804 1.00 0.00 C ATOM 541 O LEU A 41 -3.405 -4.340 -1.038 1.00 0.00 O ATOM 542 CB LEU A 41 -6.446 -3.361 -0.559 1.00 0.00 C ATOM 543 CG LEU A 41 -5.968 -3.353 0.901 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.410 -1.991 1.310 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.146 -3.654 1.832 1.00 0.00 C ATOM 0 H LEU A 41 -7.039 -3.071 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.743 -2.258 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.232 -2.613 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.899 -4.331 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.186 -4.108 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.083 -2.029 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.563 -1.738 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.185 -1.233 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.803 -3.647 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.917 -2.895 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.558 -4.634 1.592 1.00 0.00 H new ATOM 557 N ALA A 42 -4.537 -5.116 -2.815 1.00 0.00 N ATOM 558 CA ALA A 42 -3.518 -6.087 -3.231 1.00 0.00 C ATOM 559 C ALA A 42 -2.395 -5.454 -4.076 1.00 0.00 C ATOM 560 O ALA A 42 -1.223 -5.787 -3.888 1.00 0.00 O ATOM 561 CB ALA A 42 -4.185 -7.212 -4.016 1.00 0.00 C ATOM 0 H ALA A 42 -5.393 -5.159 -3.369 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.050 -6.475 -2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.431 -7.935 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.924 -7.706 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.677 -6.799 -4.897 1.00 0.00 H new ATOM 567 N LYS A 43 -2.725 -4.520 -4.982 1.00 0.00 N ATOM 568 CA LYS A 43 -1.759 -3.812 -5.836 1.00 0.00 C ATOM 569 C LYS A 43 -0.736 -3.037 -4.998 1.00 0.00 C ATOM 570 O LYS A 43 0.467 -3.181 -5.215 1.00 0.00 O ATOM 571 CB LYS A 43 -2.529 -2.907 -6.815 1.00 0.00 C ATOM 572 CG LYS A 43 -1.654 -2.517 -8.013 1.00 0.00 C ATOM 573 CD LYS A 43 -2.350 -1.503 -8.926 1.00 0.00 C ATOM 574 CE LYS A 43 -1.415 -1.119 -10.079 1.00 0.00 C ATOM 575 NZ LYS A 43 -2.069 -0.177 -11.019 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.689 -4.230 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.182 -4.533 -6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.422 -3.424 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.863 -2.008 -6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.715 -2.097 -7.654 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.405 -3.410 -8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.273 -1.928 -9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.625 -0.615 -8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.509 -0.664 -9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.110 -2.017 -10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.409 0.062 -11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.920 -0.621 -11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.338 0.690 -10.511 1.00 0.00 H new ATOM 589 N SER A 44 -1.201 -2.288 -3.993 1.00 0.00 N ATOM 590 CA SER A 44 -0.329 -1.586 -3.042 1.00 0.00 C ATOM 591 C SER A 44 0.530 -2.549 -2.203 1.00 0.00 C ATOM 592 O SER A 44 1.743 -2.351 -2.107 1.00 0.00 O ATOM 593 CB SER A 44 -1.171 -0.670 -2.141 1.00 0.00 C ATOM 594 OG SER A 44 -2.120 -1.421 -1.410 1.00 0.00 O ATOM 0 H SER A 44 -2.196 -2.150 -3.814 1.00 0.00 H new ATOM 0 HA SER A 44 0.368 -0.980 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.520 -0.130 -1.453 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.682 0.077 -2.749 1.00 0.00 H new ATOM 0 HG SER A 44 -2.307 -0.972 -0.559 1.00 0.00 H new ATOM 600 N LEU A 45 -0.049 -3.629 -1.670 1.00 0.00 N ATOM 601 CA LEU A 45 0.672 -4.661 -0.911 1.00 0.00 C ATOM 602 C LEU A 45 1.793 -5.329 -1.733 1.00 0.00 C ATOM 603 O LEU A 45 2.899 -5.545 -1.226 1.00 0.00 O ATOM 604 CB LEU A 45 -0.374 -5.648 -0.342 1.00 0.00 C ATOM 605 CG LEU A 45 0.099 -6.849 0.503 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.586 -8.029 -0.334 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.168 -6.492 1.535 1.00 0.00 C ATOM 0 H LEU A 45 -1.048 -3.816 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 45 1.210 -4.209 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.069 -5.072 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.942 -6.044 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.803 -7.152 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.903 -8.837 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.224 -8.380 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.427 -7.714 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.451 -7.386 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.044 -6.088 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.773 -5.746 2.225 1.00 0.00 H new ATOM 619 N THR A 46 1.551 -5.590 -3.021 1.00 0.00 N ATOM 620 CA THR A 46 2.547 -6.183 -3.938 1.00 0.00 C ATOM 621 C THR A 46 3.793 -5.291 -4.088 1.00 0.00 C ATOM 622 O THR A 46 4.917 -5.796 -4.083 1.00 0.00 O ATOM 623 CB THR A 46 1.889 -6.484 -5.303 1.00 0.00 C ATOM 624 OG1 THR A 46 0.836 -7.414 -5.142 1.00 0.00 O ATOM 625 CG2 THR A 46 2.854 -7.086 -6.321 1.00 0.00 C ATOM 0 H THR A 46 0.654 -5.397 -3.466 1.00 0.00 H new ATOM 0 HA THR A 46 2.894 -7.122 -3.507 1.00 0.00 H new ATOM 0 HB THR A 46 1.537 -5.521 -5.674 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.077 -6.976 -4.704 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.326 -7.272 -7.256 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.675 -6.391 -6.499 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.251 -8.025 -5.935 1.00 0.00 H new ATOM 633 N GLU A 47 3.631 -3.965 -4.140 1.00 0.00 N ATOM 634 CA GLU A 47 4.745 -3.002 -4.213 1.00 0.00 C ATOM 635 C GLU A 47 5.581 -2.924 -2.924 1.00 0.00 C ATOM 636 O GLU A 47 6.805 -2.785 -3.000 1.00 0.00 O ATOM 637 CB GLU A 47 4.185 -1.618 -4.600 1.00 0.00 C ATOM 638 CG GLU A 47 5.230 -0.509 -4.838 1.00 0.00 C ATOM 639 CD GLU A 47 6.042 -0.646 -6.144 1.00 0.00 C ATOM 640 OE1 GLU A 47 6.004 -1.704 -6.810 1.00 0.00 O ATOM 641 OE2 GLU A 47 6.733 0.327 -6.524 1.00 0.00 O1- ATOM 0 H GLU A 47 2.713 -3.520 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 47 5.436 -3.356 -4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.590 -1.729 -5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.508 -1.289 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.720 0.454 -4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.923 -0.497 -3.997 1.00 0.00 H new ATOM 648 N ILE A 48 4.966 -3.083 -1.745 1.00 0.00 N ATOM 649 CA ILE A 48 5.687 -3.126 -0.453 1.00 0.00 C ATOM 650 C ILE A 48 6.700 -4.282 -0.457 1.00 0.00 C ATOM 651 O ILE A 48 7.883 -4.093 -0.147 1.00 0.00 O ATOM 652 CB ILE A 48 4.709 -3.255 0.743 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.751 -2.046 0.835 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.479 -3.428 2.071 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.568 -2.264 1.790 1.00 0.00 C ATOM 0 H ILE A 48 3.955 -3.186 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 48 6.223 -2.185 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 48 4.107 -4.146 0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.314 -1.172 1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.366 -1.823 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.770 -3.516 2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.092 -4.328 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.120 -2.562 2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.941 -1.373 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.980 -3.117 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.943 -2.457 2.795 1.00 0.00 H new ATOM 667 N LYS A 49 6.250 -5.476 -0.867 1.00 0.00 N ATOM 668 CA LYS A 49 7.077 -6.692 -0.943 1.00 0.00 C ATOM 669 C LYS A 49 8.209 -6.586 -1.975 1.00 0.00 C ATOM 670 O LYS A 49 9.327 -7.025 -1.701 1.00 0.00 O ATOM 671 CB LYS A 49 6.171 -7.904 -1.232 1.00 0.00 C ATOM 672 CG LYS A 49 5.273 -8.219 -0.022 1.00 0.00 C ATOM 673 CD LYS A 49 4.350 -9.409 -0.305 1.00 0.00 C ATOM 674 CE LYS A 49 3.462 -9.756 0.896 1.00 0.00 C ATOM 675 NZ LYS A 49 4.233 -10.348 2.021 1.00 0.00 N1+ ATOM 0 H LYS A 49 5.285 -5.628 -1.160 1.00 0.00 H new ATOM 0 HA LYS A 49 7.569 -6.821 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.552 -7.700 -2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.784 -8.773 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.894 -8.437 0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.674 -7.343 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.721 -9.181 -1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.952 -10.278 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.955 -8.855 1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.688 -10.456 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.582 -10.838 2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.926 -11.027 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.730 -9.594 2.536 1.00 0.00 H new ATOM 689 N ARG A 50 7.957 -5.946 -3.124 1.00 0.00 N ATOM 690 CA ARG A 50 8.962 -5.671 -4.170 1.00 0.00 C ATOM 691 C ARG A 50 10.118 -4.798 -3.673 1.00 0.00 C ATOM 692 O ARG A 50 11.276 -5.125 -3.935 1.00 0.00 O ATOM 693 CB ARG A 50 8.267 -5.032 -5.385 1.00 0.00 C ATOM 694 CG ARG A 50 7.631 -6.085 -6.312 1.00 0.00 C ATOM 695 CD ARG A 50 6.506 -5.536 -7.203 1.00 0.00 C ATOM 696 NE ARG A 50 6.776 -4.189 -7.734 1.00 0.00 N ATOM 697 CZ ARG A 50 7.516 -3.815 -8.754 1.00 0.00 C ATOM 698 NH1 ARG A 50 8.143 -4.657 -9.526 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 7.619 -2.544 -8.988 1.00 0.00 N ATOM 0 H ARG A 50 7.029 -5.595 -3.362 1.00 0.00 H new ATOM 0 HA ARG A 50 9.411 -6.621 -4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.497 -4.342 -5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.992 -4.445 -5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.408 -6.512 -6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.235 -6.898 -5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.348 -6.221 -8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.579 -5.512 -6.630 1.00 0.00 H new ATOM 0 HE ARG A 50 6.318 -3.428 -7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.072 -5.659 -9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.705 -4.314 -10.305 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.135 -1.874 -8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.184 -2.214 -9.770 1.00 0.00 H new ATOM 713 N LEU A 51 9.841 -3.739 -2.901 1.00 0.00 N ATOM 714 CA LEU A 51 10.889 -2.903 -2.287 1.00 0.00 C ATOM 715 C LEU A 51 11.661 -3.662 -1.190 1.00 0.00 C ATOM 716 O LEU A 51 12.894 -3.589 -1.137 1.00 0.00 O ATOM 717 CB LEU A 51 10.263 -1.620 -1.702 1.00 0.00 C ATOM 718 CG LEU A 51 10.218 -0.381 -2.615 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.623 0.176 -2.861 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.545 -0.629 -3.964 1.00 0.00 C ATOM 0 H LEU A 51 8.892 -3.436 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 51 11.602 -2.639 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.243 -1.851 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.815 -1.355 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 51 9.610 0.344 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.560 1.050 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.073 0.461 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.238 -0.586 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.553 0.291 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.086 -1.407 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.515 -0.948 -3.804 1.00 0.00 H new ATOM 732 N LYS A 52 10.952 -4.405 -0.328 1.00 0.00 N ATOM 733 CA LYS A 52 11.558 -5.151 0.791 1.00 0.00 C ATOM 734 C LYS A 52 12.449 -6.307 0.345 1.00 0.00 C ATOM 735 O LYS A 52 13.457 -6.553 0.996 1.00 0.00 O ATOM 736 CB LYS A 52 10.476 -5.640 1.763 1.00 0.00 C ATOM 737 CG LYS A 52 9.952 -4.461 2.595 1.00 0.00 C ATOM 738 CD LYS A 52 8.878 -4.913 3.583 1.00 0.00 C ATOM 739 CE LYS A 52 8.330 -3.706 4.348 1.00 0.00 C ATOM 740 NZ LYS A 52 7.330 -4.116 5.354 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.939 -4.508 -0.385 1.00 0.00 H new ATOM 0 HA LYS A 52 12.214 -4.448 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.657 -6.098 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.885 -6.407 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.778 -4.001 3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.542 -3.699 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.070 -5.414 3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.296 -5.637 4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.150 -3.182 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.877 -3.004 3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.688 -3.322 5.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.783 -4.923 4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.814 -4.393 6.232 1.00 0.00 H new ATOM 754 N ALA A 53 12.147 -6.965 -0.777 1.00 0.00 N ATOM 755 CA ALA A 53 12.994 -8.026 -1.325 1.00 0.00 C ATOM 756 C ALA A 53 14.422 -7.537 -1.657 1.00 0.00 C ATOM 757 O ALA A 53 15.398 -8.234 -1.362 1.00 0.00 O ATOM 758 CB ALA A 53 12.294 -8.609 -2.556 1.00 0.00 C ATOM 0 H ALA A 53 11.310 -6.778 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 53 13.125 -8.801 -0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.908 -9.403 -2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.325 -9.016 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.150 -7.824 -3.298 1.00 0.00 H new ATOM 764 N ALA A 54 14.562 -6.326 -2.209 1.00 0.00 N ATOM 765 CA ALA A 54 15.855 -5.692 -2.466 1.00 0.00 C ATOM 766 C ALA A 54 16.529 -5.186 -1.176 1.00 0.00 C ATOM 767 O ALA A 54 17.724 -5.408 -0.968 1.00 0.00 O ATOM 768 CB ALA A 54 15.628 -4.552 -3.468 1.00 0.00 C ATOM 0 H ALA A 54 13.767 -5.753 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 54 16.542 -6.429 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.577 -4.059 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.215 -4.957 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.930 -3.829 -3.045 1.00 0.00 H new ATOM 774 N ASN A 55 15.763 -4.545 -0.282 1.00 0.00 N ATOM 775 CA ASN A 55 16.278 -3.965 0.968 1.00 0.00 C ATOM 776 C ASN A 55 16.804 -5.044 1.943 1.00 0.00 C ATOM 777 O ASN A 55 17.910 -4.937 2.470 1.00 0.00 O ATOM 778 CB ASN A 55 15.151 -3.101 1.586 1.00 0.00 C ATOM 779 CG ASN A 55 15.661 -1.997 2.504 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.675 -2.115 3.176 1.00 0.00 O ATOM 781 ND2 ASN A 55 14.993 -0.868 2.544 1.00 0.00 N ATOM 0 H ASN A 55 14.759 -4.413 -0.407 1.00 0.00 H new ATOM 0 HA ASN A 55 17.144 -3.338 0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.567 -2.653 0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.477 -3.747 2.148 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.322 -0.102 3.131 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.145 -0.757 1.988 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.340 -14.141 -0.883 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.284 -13.383 -0.058 1.00 0.00 C ATOM 1056 C PRO B 110 -9.626 -12.184 0.646 1.00 0.00 C ATOM 1057 O PRO B 110 -8.440 -12.211 0.986 1.00 0.00 O ATOM 1058 CB PRO B 110 -10.872 -14.382 0.941 1.00 0.00 C ATOM 1059 CG PRO B 110 -9.807 -15.471 1.026 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.227 -15.506 -0.387 1.00 0.00 C ATOM 0 HA PRO B 110 -11.063 -12.940 -0.678 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.052 -13.920 1.912 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -11.826 -14.780 0.596 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.045 -15.232 1.768 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.236 -16.432 1.309 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.188 -15.836 -0.378 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -9.777 -16.202 -1.021 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.418 -11.132 0.886 1.00 0.00 N ATOM 1069 CA ILE B 111 -9.940 -9.845 1.424 1.00 0.00 C ATOM 1070 C ILE B 111 -9.299 -9.963 2.818 1.00 0.00 C ATOM 1071 O ILE B 111 -8.388 -9.203 3.148 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.088 -8.809 1.385 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.509 -7.392 1.566 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.195 -9.100 2.418 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -11.505 -6.274 1.244 1.00 0.00 C ATOM 0 H ILE B 111 -11.423 -11.147 0.711 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.131 -9.497 0.782 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.568 -8.882 0.409 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.168 -7.277 2.595 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -9.634 -7.282 0.926 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -12.972 -8.339 2.342 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.627 -10.081 2.222 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -11.769 -9.085 3.421 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -11.027 -5.306 1.394 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -11.828 -6.362 0.207 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.370 -6.357 1.902 1.00 0.00 H new ATOM 1087 N ASP B 112 -9.718 -10.950 3.612 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.140 -11.266 4.917 1.00 0.00 C ATOM 1089 C ASP B 112 -7.637 -11.601 4.834 1.00 0.00 C ATOM 1090 O ASP B 112 -6.870 -11.235 5.724 1.00 0.00 O ATOM 1091 CB ASP B 112 -9.901 -12.438 5.563 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.424 -12.248 5.608 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -11.947 -11.857 6.682 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -12.106 -12.517 4.591 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.489 -11.567 3.357 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.239 -10.373 5.534 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -9.676 -13.351 5.012 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -9.533 -12.580 6.579 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.202 -12.277 3.769 1.00 0.00 N ATOM 1100 CA GLU B 113 -5.803 -12.682 3.576 1.00 0.00 C ATOM 1101 C GLU B 113 -4.917 -11.514 3.123 1.00 0.00 C ATOM 1102 O GLU B 113 -3.894 -11.256 3.754 1.00 0.00 O ATOM 1103 CB GLU B 113 -5.713 -13.851 2.575 1.00 0.00 C ATOM 1104 CG GLU B 113 -6.324 -15.164 3.092 1.00 0.00 C ATOM 1105 CD GLU B 113 -5.633 -15.739 4.345 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -4.390 -15.628 4.477 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -6.324 -16.342 5.205 1.00 0.00 O1- ATOM 0 H GLU B 113 -7.816 -12.563 3.006 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.426 -13.014 4.544 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.218 -13.566 1.652 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -4.666 -14.023 2.325 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -7.377 -14.996 3.318 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -6.283 -15.908 2.296 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.309 -10.744 2.094 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.508 -9.586 1.649 1.00 0.00 C ATOM 1116 C LEU B 114 -4.411 -8.495 2.732 1.00 0.00 C ATOM 1117 O LEU B 114 -3.357 -7.878 2.894 1.00 0.00 O ATOM 1118 CB LEU B 114 -4.991 -9.033 0.295 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.408 -8.424 0.261 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.364 -6.905 0.401 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.109 -8.733 -1.061 1.00 0.00 C ATOM 0 H LEU B 114 -6.164 -10.897 1.559 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.493 -9.949 1.488 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.285 -8.270 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -4.950 -9.840 -0.436 1.00 0.00 H new ATOM 0 HG LEU B 114 -6.951 -8.867 1.096 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.379 -6.508 0.373 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -5.897 -6.640 1.349 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -5.785 -6.481 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.106 -8.291 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.531 -8.316 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.191 -9.813 -1.186 1.00 0.00 H new ATOM 1133 N SER B 115 -5.479 -8.299 3.520 1.00 0.00 N ATOM 1134 CA SER B 115 -5.466 -7.377 4.662 1.00 0.00 C ATOM 1135 C SER B 115 -4.613 -7.897 5.828 1.00 0.00 C ATOM 1136 O SER B 115 -3.865 -7.123 6.426 1.00 0.00 O ATOM 1137 CB SER B 115 -6.897 -7.073 5.110 1.00 0.00 C ATOM 1138 OG SER B 115 -6.902 -5.927 5.948 1.00 0.00 O ATOM 0 H SER B 115 -6.371 -8.774 3.383 1.00 0.00 H new ATOM 0 HA SER B 115 -4.997 -6.450 4.331 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.532 -6.903 4.241 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.311 -7.928 5.644 1.00 0.00 H new ATOM 0 HG SER B 115 -6.858 -5.118 5.396 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.626 -9.204 6.131 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.689 -9.775 7.102 1.00 0.00 C ATOM 1146 C ALA B 116 -2.227 -9.644 6.649 1.00 0.00 C ATOM 1147 O ALA B 116 -1.348 -9.420 7.481 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.035 -11.246 7.362 1.00 0.00 C ATOM 0 H ALA B 116 -5.271 -9.879 5.720 1.00 0.00 H new ATOM 0 HA ALA B 116 -3.791 -9.207 8.027 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.334 -11.662 8.085 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.048 -11.317 7.757 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -3.969 -11.806 6.429 1.00 0.00 H new ATOM 1154 N LEU B 117 -1.946 -9.773 5.349 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.599 -9.615 4.788 1.00 0.00 C ATOM 1156 C LEU B 117 -0.075 -8.182 4.978 1.00 0.00 C ATOM 1157 O LEU B 117 1.021 -8.021 5.515 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.583 -10.067 3.313 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.042 -11.493 3.092 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -0.756 -12.591 3.889 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.154 -11.867 1.615 1.00 0.00 C ATOM 0 H LEU B 117 -2.654 -9.992 4.648 1.00 0.00 H new ATOM 0 HA LEU B 117 0.089 -10.260 5.335 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.597 -10.010 2.917 1.00 0.00 H new ATOM 0 HB3 LEU B 117 0.024 -9.368 2.738 1.00 0.00 H new ATOM 0 HG LEU B 117 0.989 -11.452 3.444 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.303 -13.557 3.665 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.663 -12.385 4.955 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.811 -12.613 3.614 1.00 0.00 H new ATOM 0 HD21 LEU B 117 0.230 -12.876 1.465 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.199 -11.827 1.308 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.427 -11.165 1.017 1.00 0.00 H new ATOM 1173 N LEU B 118 -0.832 -7.134 4.615 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.355 -5.747 4.798 1.00 0.00 C ATOM 1175 C LEU B 118 -0.205 -5.356 6.281 1.00 0.00 C ATOM 1176 O LEU B 118 0.716 -4.617 6.631 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.208 -4.759 3.975 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.616 -4.449 4.514 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.657 -3.246 5.464 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.550 -4.124 3.358 1.00 0.00 C ATOM 0 H LEU B 118 -1.760 -7.213 4.200 1.00 0.00 H new ATOM 0 HA LEU B 118 0.658 -5.689 4.401 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.660 -3.820 3.895 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.310 -5.156 2.965 1.00 0.00 H new ATOM 0 HG LEU B 118 -2.922 -5.340 5.062 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.680 -3.086 5.805 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -2.015 -3.439 6.323 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.306 -2.357 4.941 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.545 -3.905 3.745 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.172 -3.256 2.818 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.603 -4.977 2.682 1.00 0.00 H new ATOM 1192 N ARG B 119 -1.051 -5.890 7.176 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.923 -5.701 8.635 1.00 0.00 C ATOM 1194 C ARG B 119 0.353 -6.357 9.174 1.00 0.00 C ATOM 1195 O ARG B 119 1.122 -5.715 9.884 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.180 -6.244 9.337 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.419 -5.386 9.033 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.709 -6.076 9.499 1.00 0.00 C ATOM 1199 NE ARG B 119 -5.886 -5.581 8.755 1.00 0.00 N ATOM 1200 CZ ARG B 119 -6.998 -5.061 9.231 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -7.243 -4.933 10.504 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -7.911 -4.655 8.401 1.00 0.00 N ATOM 0 H ARG B 119 -1.848 -6.468 6.910 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.840 -4.635 8.846 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.361 -7.270 9.016 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -2.012 -6.271 10.414 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -3.323 -4.419 9.527 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.475 -5.193 7.962 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -4.617 -7.153 9.362 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.851 -5.902 10.566 1.00 0.00 H new ATOM 0 HE ARG B 119 -5.829 -5.651 7.739 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -6.555 -5.244 11.190 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -8.123 -4.522 10.815 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -7.761 -4.741 7.396 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -8.778 -4.250 8.754 1.00 0.00 H new ATOM 1216 N GLN B 120 0.621 -7.601 8.773 1.00 0.00 N ATOM 1217 CA GLN B 120 1.843 -8.332 9.136 1.00 0.00 C ATOM 1218 C GLN B 120 3.117 -7.712 8.525 1.00 0.00 C ATOM 1219 O GLN B 120 4.162 -7.717 9.179 1.00 0.00 O ATOM 1220 CB GLN B 120 1.690 -9.807 8.730 1.00 0.00 C ATOM 1221 CG GLN B 120 0.788 -10.567 9.720 1.00 0.00 C ATOM 1222 CD GLN B 120 0.467 -11.975 9.223 1.00 0.00 C ATOM 1223 OE1 GLN B 120 0.916 -12.984 9.751 1.00 0.00 O ATOM 1224 NE2 GLN B 120 -0.307 -12.094 8.168 1.00 0.00 N ATOM 0 H GLN B 120 -0.011 -8.139 8.179 1.00 0.00 H new ATOM 0 HA GLN B 120 1.969 -8.260 10.216 1.00 0.00 H new ATOM 0 HB2 GLN B 120 1.267 -9.869 7.727 1.00 0.00 H new ATOM 0 HB3 GLN B 120 2.671 -10.280 8.691 1.00 0.00 H new ATOM 0 HG2 GLN B 120 1.281 -10.627 10.690 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -0.139 -10.013 9.868 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -0.688 -11.261 7.718 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -0.527 -13.019 7.799 1.00 0.00 H new ATOM 1233 N GLU B 121 3.045 -7.112 7.333 1.00 0.00 N ATOM 1234 CA GLU B 121 4.144 -6.342 6.728 1.00 0.00 C ATOM 1235 C GLU B 121 4.548 -5.123 7.573 1.00 0.00 C ATOM 1236 O GLU B 121 5.741 -4.869 7.755 1.00 0.00 O ATOM 1237 CB GLU B 121 3.750 -5.876 5.311 1.00 0.00 C ATOM 1238 CG GLU B 121 3.953 -6.949 4.224 1.00 0.00 C ATOM 1239 CD GLU B 121 5.419 -7.367 4.055 1.00 0.00 C ATOM 1240 OE1 GLU B 121 6.325 -6.594 4.446 1.00 0.00 O ATOM 1241 OE2 GLU B 121 5.658 -8.481 3.524 1.00 0.00 O1- ATOM 0 H GLU B 121 2.209 -7.146 6.749 1.00 0.00 H new ATOM 0 HA GLU B 121 5.005 -7.008 6.679 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.703 -5.572 5.317 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.337 -4.995 5.052 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.358 -7.827 4.474 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.578 -6.570 3.273 1.00 0.00 H new ATOM 1248 N MET B 122 3.571 -4.380 8.108 1.00 0.00 N ATOM 1249 CA MET B 122 3.792 -3.217 8.976 1.00 0.00 C ATOM 1250 C MET B 122 4.023 -3.567 10.461 1.00 0.00 C ATOM 1251 O MET B 122 4.341 -2.681 11.258 1.00 0.00 O ATOM 1252 CB MET B 122 2.626 -2.236 8.804 1.00 0.00 C ATOM 1253 CG MET B 122 2.760 -1.493 7.471 1.00 0.00 C ATOM 1254 SD MET B 122 1.417 -0.335 7.098 1.00 0.00 S ATOM 1255 CE MET B 122 0.186 -1.479 6.416 1.00 0.00 C ATOM 0 H MET B 122 2.583 -4.575 7.946 1.00 0.00 H new ATOM 0 HA MET B 122 4.725 -2.752 8.659 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.679 -2.775 8.836 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.615 -1.523 9.628 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.702 -0.945 7.472 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.819 -2.227 6.668 1.00 0.00 H new ATOM 0 HE1 MET B 122 -0.605 -0.912 5.926 1.00 0.00 H new ATOM 0 HE2 MET B 122 0.664 -2.137 5.690 1.00 0.00 H new ATOM 0 HE3 MET B 122 -0.241 -2.076 7.221 1.00 0.00 H new ATOM 1349 N SER B 133 -17.513 0.585 5.162 1.00 0.00 N ATOM 1350 CA SER B 133 -17.853 1.998 4.897 1.00 0.00 C ATOM 1351 C SER B 133 -16.698 2.735 4.209 1.00 0.00 C ATOM 1352 O SER B 133 -15.542 2.312 4.296 1.00 0.00 O ATOM 1353 CB SER B 133 -18.223 2.713 6.204 1.00 0.00 C ATOM 1354 OG SER B 133 -19.350 2.102 6.813 1.00 0.00 O ATOM 0 HA SER B 133 -18.711 2.010 4.225 1.00 0.00 H new ATOM 0 HB2 SER B 133 -17.376 2.688 6.889 1.00 0.00 H new ATOM 0 HB3 SER B 133 -18.438 3.762 6.001 1.00 0.00 H new ATOM 0 HG SER B 133 -19.330 1.137 6.644 1.00 0.00 H new ATOM 1360 N MET B 134 -16.982 3.871 3.560 1.00 0.00 N ATOM 1361 CA MET B 134 -15.979 4.667 2.821 1.00 0.00 C ATOM 1362 C MET B 134 -14.795 5.097 3.714 1.00 0.00 C ATOM 1363 O MET B 134 -13.639 5.051 3.295 1.00 0.00 O ATOM 1364 CB MET B 134 -16.672 5.882 2.181 1.00 0.00 C ATOM 1365 CG MET B 134 -15.772 6.671 1.208 1.00 0.00 C ATOM 1366 SD MET B 134 -16.051 6.360 -0.562 1.00 0.00 S ATOM 1367 CE MET B 134 -15.523 4.629 -0.715 1.00 0.00 C ATOM 0 H MET B 134 -17.920 4.271 3.529 1.00 0.00 H new ATOM 0 HA MET B 134 -15.551 4.041 2.038 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.559 5.543 1.646 1.00 0.00 H new ATOM 0 HB3 MET B 134 -17.012 6.552 2.971 1.00 0.00 H new ATOM 0 HG2 MET B 134 -15.912 7.735 1.396 1.00 0.00 H new ATOM 0 HG3 MET B 134 -14.732 6.441 1.438 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.487 4.351 -1.768 1.00 0.00 H new ATOM 0 HE2 MET B 134 -14.533 4.510 -0.274 1.00 0.00 H new ATOM 0 HE3 MET B 134 -16.232 3.985 -0.194 1.00 0.00 H new ATOM 1377 N GLN B 135 -15.063 5.433 4.981 1.00 0.00 N ATOM 1378 CA GLN B 135 -14.036 5.801 5.964 1.00 0.00 C ATOM 1379 C GLN B 135 -13.110 4.624 6.347 1.00 0.00 C ATOM 1380 O GLN B 135 -11.953 4.847 6.710 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.709 6.370 7.225 1.00 0.00 C ATOM 1382 CG GLN B 135 -15.525 7.645 6.932 1.00 0.00 C ATOM 1383 CD GLN B 135 -16.104 8.308 8.187 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -16.016 7.815 9.306 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -16.725 9.463 8.046 1.00 0.00 N ATOM 0 H GLN B 135 -16.011 5.457 5.358 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.404 6.556 5.496 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -15.365 5.614 7.656 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -13.946 6.594 7.971 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -14.888 8.362 6.414 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -16.341 7.396 6.254 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -16.808 9.888 7.123 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -17.122 9.931 8.860 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.578 3.375 6.241 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.777 2.180 6.529 1.00 0.00 C ATOM 1396 C ASP B 136 -11.758 1.932 5.405 1.00 0.00 C ATOM 1397 O ASP B 136 -10.557 1.819 5.669 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.671 0.939 6.726 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.795 1.096 7.767 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -15.818 0.383 7.631 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -14.651 1.874 8.743 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.533 3.164 5.950 1.00 0.00 H new ATOM 0 HA ASP B 136 -12.238 2.356 7.460 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -14.120 0.679 5.767 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -13.040 0.100 7.020 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.223 1.906 4.145 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.369 1.764 2.954 1.00 0.00 C ATOM 1408 C ILE B 137 -10.393 2.940 2.799 1.00 0.00 C ATOM 1409 O ILE B 137 -9.231 2.696 2.479 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.214 1.489 1.683 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.304 1.318 0.443 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.289 2.554 1.430 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -12.050 1.010 -0.861 1.00 0.00 C ATOM 0 H ILE B 137 -13.215 1.984 3.922 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.741 0.885 3.097 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.745 0.554 1.863 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.723 2.230 0.307 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.594 0.514 0.638 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.845 2.303 0.526 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.973 2.590 2.278 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.815 3.527 1.305 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.332 0.907 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.609 0.081 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.740 1.823 -1.086 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.801 4.186 3.093 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.895 5.346 3.063 1.00 0.00 C ATOM 1427 C GLN B 138 -8.684 5.152 3.984 1.00 0.00 C ATOM 1428 O GLN B 138 -7.541 5.241 3.529 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.638 6.639 3.454 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.444 7.239 2.295 1.00 0.00 C ATOM 1431 CD GLN B 138 -12.281 8.431 2.768 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -13.441 8.310 3.134 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.730 9.625 2.805 1.00 0.00 N ATOM 0 H GLN B 138 -11.759 4.416 3.356 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.534 5.435 2.038 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.310 6.428 4.286 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.915 7.375 3.806 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.767 7.557 1.503 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -12.097 6.477 1.869 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.763 9.750 2.505 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -12.269 10.426 3.134 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.916 4.832 5.263 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.851 4.611 6.249 1.00 0.00 C ATOM 1444 C GLN B 139 -6.990 3.386 5.901 1.00 0.00 C ATOM 1445 O GLN B 139 -5.760 3.465 5.923 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.460 4.474 7.654 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.026 5.810 8.168 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.787 5.626 9.479 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -9.279 5.888 10.565 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -11.016 5.149 9.430 1.00 0.00 N ATOM 0 H GLN B 139 -9.855 4.718 5.645 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.190 5.477 6.230 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.254 3.727 7.634 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.699 4.112 8.346 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -8.212 6.519 8.315 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.690 6.238 7.417 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -11.442 4.930 8.530 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -11.540 4.999 10.292 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.618 2.258 5.552 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.931 0.991 5.293 1.00 0.00 C ATOM 1461 C LEU B 140 -6.051 1.035 4.026 1.00 0.00 C ATOM 1462 O LEU B 140 -4.903 0.587 4.059 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.997 -0.121 5.234 1.00 0.00 C ATOM 1464 CG LEU B 140 -7.458 -1.547 5.004 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -6.483 -1.997 6.097 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -8.636 -2.521 4.969 1.00 0.00 C ATOM 0 H LEU B 140 -8.630 2.200 5.440 1.00 0.00 H new ATOM 0 HA LEU B 140 -6.230 0.786 6.103 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.560 -0.110 6.167 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -8.700 0.116 4.435 1.00 0.00 H new ATOM 0 HG LEU B 140 -6.914 -1.540 4.060 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -6.137 -3.008 5.882 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -5.630 -1.319 6.125 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -6.988 -1.984 7.063 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -8.266 -3.533 4.807 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -9.172 -2.478 5.917 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -9.311 -2.247 4.158 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.551 1.629 2.935 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.801 1.792 1.688 1.00 0.00 C ATOM 1480 C LEU B 141 -4.691 2.857 1.813 1.00 0.00 C ATOM 1481 O LEU B 141 -3.600 2.664 1.282 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.814 2.061 0.552 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.256 2.015 -0.885 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.658 0.654 -1.246 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.394 2.271 -1.879 1.00 0.00 C ATOM 0 H LEU B 141 -7.495 2.012 2.895 1.00 0.00 H new ATOM 0 HA LEU B 141 -5.257 0.878 1.448 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.618 1.330 0.630 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.259 3.043 0.715 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.475 2.773 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.281 0.682 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.839 0.424 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.426 -0.115 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -7.003 2.239 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -8.160 1.504 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.830 3.252 -1.688 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.911 3.927 2.592 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.862 4.890 2.944 1.00 0.00 C ATOM 1499 C ALA B 142 -2.742 4.273 3.809 1.00 0.00 C ATOM 1500 O ALA B 142 -1.575 4.621 3.626 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.506 6.091 3.648 1.00 0.00 C ATOM 0 H ALA B 142 -5.822 4.147 2.995 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.378 5.213 2.022 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.734 6.813 3.914 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.228 6.561 2.980 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.014 5.754 4.551 1.00 0.00 H new ATOM 1507 N LYS B 143 -3.060 3.319 4.704 1.00 0.00 N ATOM 1508 CA LYS B 143 -2.087 2.603 5.549 1.00 0.00 C ATOM 1509 C LYS B 143 -1.095 1.791 4.705 1.00 0.00 C ATOM 1510 O LYS B 143 0.117 1.888 4.911 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.864 1.735 6.566 1.00 0.00 C ATOM 1512 CG LYS B 143 -1.998 1.382 7.779 1.00 0.00 C ATOM 1513 CD LYS B 143 -2.762 0.650 8.892 1.00 0.00 C ATOM 1514 CE LYS B 143 -3.337 -0.701 8.442 1.00 0.00 C ATOM 1515 NZ LYS B 143 -4.069 -1.373 9.548 1.00 0.00 N1+ ATOM 0 H LYS B 143 -4.022 3.018 4.863 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.476 3.318 6.100 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.755 2.269 6.897 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -3.203 0.820 6.081 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -1.166 0.759 7.451 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -1.569 2.297 8.187 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -2.094 0.490 9.738 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -3.575 1.285 9.244 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -4.009 -0.549 7.598 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -2.529 -1.345 8.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -4.445 -2.283 9.213 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -3.420 -1.539 10.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -4.854 -0.768 9.862 1.00 0.00 H new ATOM 1529 N SER B 144 -1.577 1.064 3.696 1.00 0.00 N ATOM 1530 CA SER B 144 -0.700 0.372 2.732 1.00 0.00 C ATOM 1531 C SER B 144 0.120 1.347 1.865 1.00 0.00 C ATOM 1532 O SER B 144 1.308 1.112 1.640 1.00 0.00 O ATOM 1533 CB SER B 144 -1.525 -0.598 1.875 1.00 0.00 C ATOM 1534 OG SER B 144 -2.321 0.074 0.913 1.00 0.00 O ATOM 0 H SER B 144 -2.573 0.935 3.519 1.00 0.00 H new ATOM 0 HA SER B 144 0.031 -0.201 3.302 1.00 0.00 H new ATOM 0 HB2 SER B 144 -0.854 -1.291 1.367 1.00 0.00 H new ATOM 0 HB3 SER B 144 -2.168 -1.194 2.523 1.00 0.00 H new ATOM 0 HG SER B 144 -2.621 0.933 1.278 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.458 2.473 1.432 1.00 0.00 N ATOM 1541 CA LEU B 145 0.224 3.492 0.624 1.00 0.00 C ATOM 1542 C LEU B 145 1.382 4.173 1.379 1.00 0.00 C ATOM 1543 O LEU B 145 2.480 4.297 0.830 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.848 4.470 0.106 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.404 5.695 -0.723 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.033 6.881 0.145 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.684 5.383 -1.744 1.00 0.00 C ATOM 0 H LEU B 145 -1.430 2.706 1.636 1.00 0.00 H new ATOM 0 HA LEU B 145 0.719 3.028 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.550 3.898 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.401 4.840 0.969 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.303 5.979 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.333 7.710 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.797 7.194 0.778 1.00 0.00 H new ATOM 0 HD13 LEU B 145 0.874 6.583 0.771 1.00 0.00 H new ATOM 0 HD21 LEU B 145 0.944 6.291 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.567 5.002 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.320 4.632 -2.445 1.00 0.00 H new ATOM 1559 N THR B 146 1.199 4.569 2.641 1.00 0.00 N ATOM 1560 CA THR B 146 2.289 5.204 3.408 1.00 0.00 C ATOM 1561 C THR B 146 3.470 4.258 3.658 1.00 0.00 C ATOM 1562 O THR B 146 4.613 4.708 3.683 1.00 0.00 O ATOM 1563 CB THR B 146 1.769 5.881 4.689 1.00 0.00 C ATOM 1564 OG1 THR B 146 2.752 6.732 5.237 1.00 0.00 O ATOM 1565 CG2 THR B 146 1.343 4.922 5.798 1.00 0.00 C ATOM 0 H THR B 146 0.323 4.466 3.153 1.00 0.00 H new ATOM 0 HA THR B 146 2.691 6.002 2.783 1.00 0.00 H new ATOM 0 HB THR B 146 0.884 6.425 4.358 1.00 0.00 H new ATOM 0 HG1 THR B 146 2.403 7.154 6.049 1.00 0.00 H new ATOM 0 HG21 THR B 146 0.992 5.493 6.658 1.00 0.00 H new ATOM 0 HG22 THR B 146 0.539 4.281 5.436 1.00 0.00 H new ATOM 0 HG23 THR B 146 2.193 4.307 6.093 1.00 0.00 H new ATOM 1573 N GLU B 147 3.244 2.943 3.756 1.00 0.00 N ATOM 1574 CA GLU B 147 4.324 1.949 3.854 1.00 0.00 C ATOM 1575 C GLU B 147 5.160 1.844 2.561 1.00 0.00 C ATOM 1576 O GLU B 147 6.383 1.714 2.632 1.00 0.00 O ATOM 1577 CB GLU B 147 3.720 0.597 4.276 1.00 0.00 C ATOM 1578 CG GLU B 147 4.705 -0.585 4.383 1.00 0.00 C ATOM 1579 CD GLU B 147 5.693 -0.523 5.560 1.00 0.00 C ATOM 1580 OE1 GLU B 147 5.937 0.569 6.123 1.00 0.00 O ATOM 1581 OE2 GLU B 147 6.231 -1.590 5.935 1.00 0.00 O1- ATOM 0 H GLU B 147 2.309 2.536 3.770 1.00 0.00 H new ATOM 0 HA GLU B 147 5.031 2.276 4.616 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.233 0.726 5.243 1.00 0.00 H new ATOM 0 HB3 GLU B 147 2.942 0.331 3.560 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.130 -1.508 4.463 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.275 -0.644 3.456 1.00 0.00 H new ATOM 1588 N ILE B 148 4.543 1.981 1.378 1.00 0.00 N ATOM 1589 CA ILE B 148 5.275 2.095 0.103 1.00 0.00 C ATOM 1590 C ILE B 148 6.212 3.309 0.149 1.00 0.00 C ATOM 1591 O ILE B 148 7.401 3.188 -0.164 1.00 0.00 O ATOM 1592 CB ILE B 148 4.316 2.195 -1.110 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.425 0.942 -1.249 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.099 2.434 -2.415 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.287 1.122 -2.261 1.00 0.00 C ATOM 0 H ILE B 148 3.529 2.016 1.276 1.00 0.00 H new ATOM 0 HA ILE B 148 5.864 1.187 -0.027 1.00 0.00 H new ATOM 0 HB ILE B 148 3.664 3.049 -0.927 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.042 0.096 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.002 0.695 -0.275 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.402 2.500 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.661 3.365 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE B 148 5.788 1.607 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.698 0.207 -2.312 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.648 1.948 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.705 1.340 -3.244 1.00 0.00 H new ATOM 1607 N LYS B 149 5.696 4.464 0.587 1.00 0.00 N ATOM 1608 CA LYS B 149 6.476 5.709 0.715 1.00 0.00 C ATOM 1609 C LYS B 149 7.641 5.574 1.697 1.00 0.00 C ATOM 1610 O LYS B 149 8.748 5.999 1.360 1.00 0.00 O ATOM 1611 CB LYS B 149 5.550 6.873 1.106 1.00 0.00 C ATOM 1612 CG LYS B 149 4.620 7.293 -0.041 1.00 0.00 C ATOM 1613 CD LYS B 149 3.658 8.408 0.401 1.00 0.00 C ATOM 1614 CE LYS B 149 2.774 8.919 -0.749 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.516 9.809 -1.677 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.720 4.565 0.865 1.00 0.00 H new ATOM 0 HA LYS B 149 6.920 5.920 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS B 149 4.950 6.582 1.968 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.154 7.727 1.411 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.215 7.637 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.048 6.430 -0.383 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.023 8.037 1.205 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.234 9.239 0.808 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.377 8.069 -1.304 1.00 0.00 H new ATOM 0 HE3 LYS B 149 1.921 9.458 -0.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 2.841 10.338 -2.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.095 10.477 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.133 9.237 -2.288 1.00 0.00 H new ATOM 1629 N ARG B 150 7.448 4.924 2.857 1.00 0.00 N ATOM 1630 CA ARG B 150 8.541 4.633 3.815 1.00 0.00 C ATOM 1631 C ARG B 150 9.654 3.807 3.171 1.00 0.00 C ATOM 1632 O ARG B 150 10.824 4.181 3.264 1.00 0.00 O ATOM 1633 CB ARG B 150 8.054 3.896 5.080 1.00 0.00 C ATOM 1634 CG ARG B 150 7.137 4.721 5.996 1.00 0.00 C ATOM 1635 CD ARG B 150 7.214 4.264 7.460 1.00 0.00 C ATOM 1636 NE ARG B 150 6.914 2.828 7.641 1.00 0.00 N ATOM 1637 CZ ARG B 150 7.129 2.099 8.721 1.00 0.00 C ATOM 1638 NH1 ARG B 150 7.585 2.608 9.829 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 6.882 0.826 8.689 1.00 0.00 N ATOM 0 H ARG B 150 6.536 4.584 3.161 1.00 0.00 H new ATOM 0 HA ARG B 150 8.927 5.609 4.109 1.00 0.00 H new ATOM 0 HB2 ARG B 150 7.523 2.994 4.776 1.00 0.00 H new ATOM 0 HB3 ARG B 150 8.924 3.576 5.654 1.00 0.00 H new ATOM 0 HG2 ARG B 150 7.413 5.773 5.931 1.00 0.00 H new ATOM 0 HG3 ARG B 150 6.108 4.639 5.646 1.00 0.00 H new ATOM 0 HD2 ARG B 150 8.212 4.471 7.846 1.00 0.00 H new ATOM 0 HD3 ARG B 150 6.514 4.852 8.054 1.00 0.00 H new ATOM 0 HE ARG B 150 6.495 2.348 6.845 1.00 0.00 H new ATOM 0 HH11 ARG B 150 7.790 3.606 9.885 1.00 0.00 H new ATOM 0 HH12 ARG B 150 7.737 2.009 10.641 1.00 0.00 H new ATOM 0 HH21 ARG B 150 6.525 0.397 7.835 1.00 0.00 H new ATOM 0 HH22 ARG B 150 7.045 0.254 9.518 1.00 0.00 H new ATOM 1653 N LEU B 151 9.308 2.704 2.504 1.00 0.00 N ATOM 1654 CA LEU B 151 10.293 1.753 1.974 1.00 0.00 C ATOM 1655 C LEU B 151 11.042 2.280 0.743 1.00 0.00 C ATOM 1656 O LEU B 151 12.253 2.066 0.643 1.00 0.00 O ATOM 1657 CB LEU B 151 9.609 0.397 1.703 1.00 0.00 C ATOM 1658 CG LEU B 151 9.617 -0.588 2.888 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.024 -1.117 3.160 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.066 -0.015 4.193 1.00 0.00 C ATOM 0 H LEU B 151 8.340 2.443 2.315 1.00 0.00 H new ATOM 0 HA LEU B 151 11.063 1.615 2.733 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.575 0.581 1.411 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.101 -0.077 0.853 1.00 0.00 H new ATOM 0 HG LEU B 151 8.950 -1.390 2.572 1.00 0.00 H new ATOM 0 HD11 LEU B 151 10.996 -1.809 4.002 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.395 -1.635 2.276 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.686 -0.284 3.397 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.110 -0.776 4.972 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.663 0.846 4.493 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.031 0.295 4.046 1.00 0.00 H new ATOM 1672 N LYS B 152 10.371 3.023 -0.151 1.00 0.00 N ATOM 1673 CA LYS B 152 11.034 3.734 -1.260 1.00 0.00 C ATOM 1674 C LYS B 152 12.036 4.770 -0.739 1.00 0.00 C ATOM 1675 O LYS B 152 13.183 4.792 -1.186 1.00 0.00 O ATOM 1676 CB LYS B 152 9.990 4.406 -2.172 1.00 0.00 C ATOM 1677 CG LYS B 152 9.266 3.385 -3.061 1.00 0.00 C ATOM 1678 CD LYS B 152 8.189 4.071 -3.917 1.00 0.00 C ATOM 1679 CE LYS B 152 7.395 3.049 -4.737 1.00 0.00 C ATOM 1680 NZ LYS B 152 8.046 2.704 -6.024 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.359 3.149 -0.128 1.00 0.00 H new ATOM 0 HA LYS B 152 11.587 2.998 -1.844 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.261 4.936 -1.560 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.481 5.150 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS B 152 9.986 2.884 -3.708 1.00 0.00 H new ATOM 0 HG3 LYS B 152 8.807 2.616 -2.440 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.510 4.629 -3.272 1.00 0.00 H new ATOM 0 HD3 LYS B 152 8.658 4.792 -4.586 1.00 0.00 H new ATOM 0 HE2 LYS B 152 7.265 2.141 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS B 152 6.399 3.446 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 7.831 1.716 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.689 3.331 -6.773 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 9.075 2.822 -5.935 1.00 0.00 H new ATOM 1694 N ALA B 153 11.637 5.581 0.243 1.00 0.00 N ATOM 1695 CA ALA B 153 12.502 6.583 0.860 1.00 0.00 C ATOM 1696 C ALA B 153 13.697 5.954 1.601 1.00 0.00 C ATOM 1697 O ALA B 153 14.830 6.408 1.431 1.00 0.00 O ATOM 1698 CB ALA B 153 11.663 7.462 1.796 1.00 0.00 C ATOM 0 H ALA B 153 10.695 5.559 0.634 1.00 0.00 H new ATOM 0 HA ALA B 153 12.931 7.199 0.070 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.302 8.213 2.260 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.878 7.957 1.224 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.211 6.841 2.570 1.00 0.00 H new ATOM 1704 N ALA B 154 13.484 4.884 2.374 1.00 0.00 N ATOM 1705 CA ALA B 154 14.541 4.204 3.130 1.00 0.00 C ATOM 1706 C ALA B 154 15.599 3.556 2.216 1.00 0.00 C ATOM 1707 O ALA B 154 16.799 3.741 2.432 1.00 0.00 O ATOM 1708 CB ALA B 154 13.885 3.165 4.055 1.00 0.00 C ATOM 0 H ALA B 154 12.563 4.461 2.494 1.00 0.00 H new ATOM 0 HA ALA B 154 15.079 4.943 3.723 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.656 2.648 4.626 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.202 3.667 4.740 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.332 2.442 3.456 1.00 0.00 H new ATOM 1714 N ASN B 155 15.165 2.838 1.173 1.00 0.00 N ATOM 1715 CA ASN B 155 16.053 2.188 0.204 1.00 0.00 C ATOM 1716 C ASN B 155 16.891 3.230 -0.569 1.00 0.00 C ATOM 1717 O ASN B 155 18.109 3.086 -0.697 1.00 0.00 O ATOM 1718 CB ASN B 155 15.192 1.288 -0.703 1.00 0.00 C ATOM 1719 CG ASN B 155 15.990 0.279 -1.521 1.00 0.00 C ATOM 1720 OD1 ASN B 155 17.054 0.552 -2.054 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.496 -0.933 -1.657 1.00 0.00 N ATOM 0 H ASN B 155 14.175 2.691 0.977 1.00 0.00 H new ATOM 0 HA ASN B 155 16.786 1.559 0.709 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.473 0.750 -0.085 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.619 1.918 -1.383 1.00 0.00 H new ATOM 0 HD21 ASN B 155 16.001 -1.631 -2.203 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.608 -1.174 -1.217 1.00 0.00 H new ATOM 1728 N GLN B 156 16.275 4.344 -0.991 1.00 0.00 N ATOM 1729 CA GLN B 156 16.984 5.467 -1.623 1.00 0.00 C ATOM 1730 C GLN B 156 17.999 6.131 -0.672 1.00 0.00 C ATOM 1731 O GLN B 156 19.156 6.341 -1.047 1.00 0.00 O ATOM 1732 CB GLN B 156 15.945 6.475 -2.144 1.00 0.00 C ATOM 1733 CG GLN B 156 16.548 7.773 -2.709 1.00 0.00 C ATOM 1734 CD GLN B 156 17.500 7.562 -3.889 1.00 0.00 C ATOM 1735 OE1 GLN B 156 17.328 6.681 -4.729 1.00 0.00 O ATOM 1736 NE2 GLN B 156 18.536 8.364 -4.016 1.00 0.00 N ATOM 0 H GLN B 156 15.270 4.492 -0.904 1.00 0.00 H new ATOM 0 HA GLN B 156 17.572 5.087 -2.458 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.350 5.996 -2.922 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.263 6.728 -1.332 1.00 0.00 H new ATOM 0 HG2 GLN B 156 15.737 8.430 -3.024 1.00 0.00 H new ATOM 0 HG3 GLN B 156 17.084 8.288 -1.912 1.00 0.00 H new ATOM 0 HE21 GLN B 156 18.697 9.102 -3.330 1.00 0.00 H new ATOM 0 HE22 GLN B 156 19.178 8.248 -4.800 1.00 0.00 H new