USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 SER OG : rot 180:sc= 0.733 USER MOD Single : A 20 GLN : amide:sc= 0.592 K(o=0.59,f=0) USER MOD Single : A 22 MET CE :methyl -170:sc= -0.162 (180deg=-0.236) USER MOD Single : A 34 MET CE :methyl -172:sc= 0 (180deg=-0.138) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.875 K(o=0.87,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 75:sc= 0.506 USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 1.21 (180deg=1.03) USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= 2.28 (180deg=1.79) USER MOD Single : A 55 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1.6!) USER MOD Single : B 115 SER OG : rot 180:sc= 0.0439 USER MOD Single : B 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 122 MET CE :methyl -163:sc= -0.0572 (180deg=-0.914) USER MOD Single : B 133 SER OG : rot 23:sc= 0.0486 USER MOD Single : B 134 MET CE :methyl -178:sc= 0 (180deg=-0.0112) USER MOD Single : B 135 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : B 138 GLN : amide:sc=-0.000694 X(o=-0.00069,f=0) USER MOD Single : B 139 GLN : amide:sc= 0.999 K(o=1,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 144 SER OG : rot 70:sc= 0 USER MOD Single : B 146 THR OG1 : rot 73:sc= 0.692 USER MOD Single : B 149 LYS NZ :NH3+ -164:sc= 1.31 (180deg=1.05) USER MOD Single : B 152 LYS NZ :NH3+ -152:sc= 2.2 (180deg=1.66) USER MOD Single : B 155 ASN : amide:sc=-0.00144 K(o=-0.0014,f=-1) USER MOD Single : B 156 GLN : amide:sc= -1.01 X(o=-1,f=-1) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.636 12.747 0.350 1.00 0.00 N ATOM 115 CA PRO A 10 -10.628 11.809 -0.178 1.00 0.00 C ATOM 116 C PRO A 10 -10.001 10.567 -0.837 1.00 0.00 C ATOM 117 O PRO A 10 -8.813 10.535 -1.170 1.00 0.00 O ATOM 118 CB PRO A 10 -11.462 12.618 -1.180 1.00 0.00 C ATOM 119 CG PRO A 10 -10.463 13.651 -1.696 1.00 0.00 C ATOM 120 CD PRO A 10 -9.637 13.968 -0.448 1.00 0.00 C ATOM 0 HA PRO A 10 -11.236 11.403 0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.848 11.991 -1.984 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.321 13.089 -0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.845 13.251 -2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.962 14.537 -2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.622 14.261 -0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.072 14.798 0.108 1.00 0.00 H new ATOM 128 N ILE A 11 -10.831 9.547 -1.079 1.00 0.00 N ATOM 129 CA ILE A 11 -10.405 8.264 -1.659 1.00 0.00 C ATOM 130 C ILE A 11 -9.790 8.401 -3.065 1.00 0.00 C ATOM 131 O ILE A 11 -8.885 7.649 -3.413 1.00 0.00 O ATOM 132 CB ILE A 11 -11.583 7.263 -1.642 1.00 0.00 C ATOM 133 CG1 ILE A 11 -11.059 5.836 -1.895 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.712 7.630 -2.621 1.00 0.00 C ATOM 135 CD1 ILE A 11 -12.067 4.756 -1.495 1.00 0.00 C ATOM 0 H ILE A 11 -11.830 9.587 -0.876 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.600 7.877 -1.033 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.033 7.312 -0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.815 5.725 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.134 5.689 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.506 6.885 -2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.113 8.610 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.319 7.654 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.644 3.772 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.293 4.845 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.983 4.882 -2.072 1.00 0.00 H new ATOM 147 N ASP A 12 -10.233 9.386 -3.852 1.00 0.00 N ATOM 148 CA ASP A 12 -9.691 9.671 -5.191 1.00 0.00 C ATOM 149 C ASP A 12 -8.214 10.096 -5.152 1.00 0.00 C ATOM 150 O ASP A 12 -7.437 9.729 -6.033 1.00 0.00 O ATOM 151 CB ASP A 12 -10.530 10.773 -5.866 1.00 0.00 C ATOM 152 CG ASP A 12 -12.004 10.411 -6.131 1.00 0.00 C ATOM 153 OD1 ASP A 12 -12.817 11.348 -6.327 1.00 0.00 O ATOM 154 OD2 ASP A 12 -12.360 9.207 -6.179 1.00 0.00 O1- ATOM 0 H ASP A 12 -10.986 10.017 -3.578 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.747 8.747 -5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.499 11.665 -5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.061 11.034 -6.815 1.00 0.00 H new ATOM 159 N GLU A 13 -7.808 10.856 -4.131 1.00 0.00 N ATOM 160 CA GLU A 13 -6.430 11.332 -3.973 1.00 0.00 C ATOM 161 C GLU A 13 -5.482 10.196 -3.570 1.00 0.00 C ATOM 162 O GLU A 13 -4.487 9.975 -4.260 1.00 0.00 O ATOM 163 CB GLU A 13 -6.370 12.479 -2.951 1.00 0.00 C ATOM 164 CG GLU A 13 -7.022 13.783 -3.447 1.00 0.00 C ATOM 165 CD GLU A 13 -6.205 14.562 -4.500 1.00 0.00 C ATOM 166 OE1 GLU A 13 -5.134 14.097 -4.959 1.00 0.00 O ATOM 167 OE2 GLU A 13 -6.635 15.684 -4.870 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.432 11.161 -3.384 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.097 11.709 -4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.864 12.162 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.328 12.677 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.998 13.545 -3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.196 14.434 -2.590 1.00 0.00 H new ATOM 174 N LEU A 14 -5.787 9.418 -2.518 1.00 0.00 N ATOM 175 CA LEU A 14 -4.930 8.291 -2.108 1.00 0.00 C ATOM 176 C LEU A 14 -4.872 7.169 -3.176 1.00 0.00 C ATOM 177 O LEU A 14 -3.831 6.531 -3.345 1.00 0.00 O ATOM 178 CB LEU A 14 -5.321 7.793 -0.708 1.00 0.00 C ATOM 179 CG LEU A 14 -6.741 7.231 -0.548 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.743 5.709 -0.657 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.331 7.592 0.817 1.00 0.00 C ATOM 0 H LEU A 14 -6.616 9.547 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.905 8.655 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.613 7.019 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.201 8.619 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.340 7.671 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.761 5.337 -0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.359 5.414 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.111 5.287 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.337 7.180 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.703 7.177 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.374 8.676 0.920 1.00 0.00 H new ATOM 193 N SER A 15 -5.949 6.975 -3.951 1.00 0.00 N ATOM 194 CA SER A 15 -5.991 6.091 -5.133 1.00 0.00 C ATOM 195 C SER A 15 -5.074 6.592 -6.270 1.00 0.00 C ATOM 196 O SER A 15 -4.302 5.818 -6.834 1.00 0.00 O ATOM 197 CB SER A 15 -7.453 5.934 -5.590 1.00 0.00 C ATOM 198 OG SER A 15 -7.578 5.223 -6.807 1.00 0.00 O ATOM 0 H SER A 15 -6.840 7.439 -3.771 1.00 0.00 H new ATOM 0 HA SER A 15 -5.601 5.112 -4.856 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.017 5.417 -4.814 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.900 6.921 -5.705 1.00 0.00 H new ATOM 0 HG SER A 15 -8.525 5.152 -7.048 1.00 0.00 H new ATOM 204 N ALA A 16 -5.064 7.895 -6.575 1.00 0.00 N ATOM 205 CA ALA A 16 -4.120 8.487 -7.536 1.00 0.00 C ATOM 206 C ALA A 16 -2.659 8.449 -7.040 1.00 0.00 C ATOM 207 O ALA A 16 -1.736 8.291 -7.846 1.00 0.00 O ATOM 208 CB ALA A 16 -4.565 9.922 -7.846 1.00 0.00 C ATOM 0 H ALA A 16 -5.709 8.570 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.138 7.888 -8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.873 10.372 -8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.567 9.908 -8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.572 10.508 -6.927 1.00 0.00 H new ATOM 214 N LEU A 17 -2.424 8.566 -5.727 1.00 0.00 N ATOM 215 CA LEU A 17 -1.092 8.473 -5.122 1.00 0.00 C ATOM 216 C LEU A 17 -0.496 7.065 -5.275 1.00 0.00 C ATOM 217 O LEU A 17 0.661 6.954 -5.684 1.00 0.00 O ATOM 218 CB LEU A 17 -1.152 8.915 -3.640 1.00 0.00 C ATOM 219 CG LEU A 17 -0.657 10.355 -3.398 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.468 11.432 -4.118 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.698 10.675 -1.901 1.00 0.00 C ATOM 0 H LEU A 17 -3.166 8.730 -5.046 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.424 9.150 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.180 8.830 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.552 8.229 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 17 0.356 10.378 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.051 12.413 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.428 11.259 -5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.504 11.392 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.347 11.694 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.721 10.581 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.055 9.979 -1.362 1.00 0.00 H new ATOM 233 N LEU A 18 -1.255 5.991 -5.016 1.00 0.00 N ATOM 234 CA LEU A 18 -0.713 4.632 -5.172 1.00 0.00 C ATOM 235 C LEU A 18 -0.371 4.304 -6.638 1.00 0.00 C ATOM 236 O LEU A 18 0.631 3.636 -6.886 1.00 0.00 O ATOM 237 CB LEU A 18 -1.604 3.588 -4.471 1.00 0.00 C ATOM 238 CG LEU A 18 -2.831 3.078 -5.253 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.533 1.838 -6.101 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.952 2.709 -4.287 1.00 0.00 C ATOM 0 H LEU A 18 -2.225 6.032 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 18 0.246 4.588 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.983 2.729 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.955 4.017 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.120 3.893 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.437 1.530 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.754 2.072 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.195 1.028 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.814 2.350 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.607 1.926 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.237 3.587 -3.708 1.00 0.00 H new ATOM 252 N ARG A 19 -1.125 4.841 -7.613 1.00 0.00 N ATOM 253 CA ARG A 19 -0.796 4.704 -9.043 1.00 0.00 C ATOM 254 C ARG A 19 0.497 5.427 -9.420 1.00 0.00 C ATOM 255 O ARG A 19 1.397 4.796 -9.974 1.00 0.00 O ATOM 256 CB ARG A 19 -1.972 5.162 -9.929 1.00 0.00 C ATOM 257 CG ARG A 19 -2.966 4.015 -10.140 1.00 0.00 C ATOM 258 CD ARG A 19 -4.056 4.361 -11.167 1.00 0.00 C ATOM 259 NE ARG A 19 -4.926 5.472 -10.737 1.00 0.00 N ATOM 260 CZ ARG A 19 -5.813 5.447 -9.759 1.00 0.00 C ATOM 261 NH1 ARG A 19 -6.042 4.378 -9.058 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -6.513 6.497 -9.455 1.00 0.00 N ATOM 0 H ARG A 19 -1.973 5.378 -7.434 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.624 3.643 -9.226 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.478 6.008 -9.463 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.596 5.507 -10.892 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.427 3.128 -10.472 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.435 3.765 -9.188 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.584 4.623 -12.114 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.668 3.478 -11.349 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.833 6.350 -11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.529 3.519 -9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.735 4.397 -8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.384 7.365 -9.976 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.193 6.455 -8.696 1.00 0.00 H new ATOM 276 N GLN A 20 0.632 6.715 -9.088 1.00 0.00 N ATOM 277 CA GLN A 20 1.824 7.488 -9.466 1.00 0.00 C ATOM 278 C GLN A 20 3.095 7.045 -8.713 1.00 0.00 C ATOM 279 O GLN A 20 4.192 7.140 -9.261 1.00 0.00 O ATOM 280 CB GLN A 20 1.545 8.998 -9.357 1.00 0.00 C ATOM 281 CG GLN A 20 1.560 9.550 -7.924 1.00 0.00 C ATOM 282 CD GLN A 20 0.861 10.904 -7.810 1.00 0.00 C ATOM 283 OE1 GLN A 20 1.479 11.944 -7.626 1.00 0.00 O ATOM 284 NE2 GLN A 20 -0.449 10.951 -7.931 1.00 0.00 N ATOM 0 H GLN A 20 -0.064 7.243 -8.562 1.00 0.00 H new ATOM 0 HA GLN A 20 2.039 7.273 -10.513 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.288 9.535 -9.947 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.573 9.207 -9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.074 8.837 -7.258 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.592 9.648 -7.587 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.978 10.093 -8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.935 11.846 -7.871 1.00 0.00 H new ATOM 293 N GLU A 21 2.970 6.480 -7.504 1.00 0.00 N ATOM 294 CA GLU A 21 4.080 5.822 -6.794 1.00 0.00 C ATOM 295 C GLU A 21 4.570 4.544 -7.500 1.00 0.00 C ATOM 296 O GLU A 21 5.746 4.191 -7.396 1.00 0.00 O ATOM 297 CB GLU A 21 3.672 5.502 -5.339 1.00 0.00 C ATOM 298 CG GLU A 21 3.702 6.726 -4.408 1.00 0.00 C ATOM 299 CD GLU A 21 5.109 7.301 -4.152 1.00 0.00 C ATOM 300 OE1 GLU A 21 6.127 6.665 -4.513 1.00 0.00 O ATOM 301 OE2 GLU A 21 5.197 8.402 -3.557 1.00 0.00 O1- ATOM 0 H GLU A 21 2.091 6.466 -6.987 1.00 0.00 H new ATOM 0 HA GLU A 21 4.913 6.525 -6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.668 5.079 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.341 4.738 -4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.076 7.508 -4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.257 6.450 -3.452 1.00 0.00 H new ATOM 308 N MET A 22 3.701 3.866 -8.257 1.00 0.00 N ATOM 309 CA MET A 22 4.044 2.727 -9.129 1.00 0.00 C ATOM 310 C MET A 22 4.383 3.143 -10.581 1.00 0.00 C ATOM 311 O MET A 22 4.644 2.289 -11.434 1.00 0.00 O ATOM 312 CB MET A 22 2.907 1.691 -9.086 1.00 0.00 C ATOM 313 CG MET A 22 2.737 1.142 -7.666 1.00 0.00 C ATOM 314 SD MET A 22 1.444 -0.106 -7.499 1.00 0.00 S ATOM 315 CE MET A 22 0.860 0.337 -5.841 1.00 0.00 C ATOM 0 H MET A 22 2.708 4.098 -8.284 1.00 0.00 H new ATOM 0 HA MET A 22 4.959 2.280 -8.741 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.976 2.150 -9.419 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.124 0.875 -9.775 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.684 0.712 -7.340 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.515 1.970 -6.993 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.176 -0.431 -5.479 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.711 0.414 -5.164 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.341 1.295 -5.882 1.00 0.00 H new ATOM 325 N GLY A 23 4.383 4.448 -10.870 1.00 0.00 N ATOM 326 CA GLY A 23 4.663 5.015 -12.199 1.00 0.00 C ATOM 327 C GLY A 23 3.484 4.978 -13.191 1.00 0.00 C ATOM 328 O GLY A 23 3.666 5.336 -14.359 1.00 0.00 O ATOM 0 H GLY A 23 4.183 5.161 -10.169 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.980 6.050 -12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.502 4.475 -12.637 1.00 0.00 H new ATOM 420 N MET A 34 -16.710 -5.517 -2.878 1.00 0.00 N ATOM 421 CA MET A 34 -15.580 -6.337 -2.406 1.00 0.00 C ATOM 422 C MET A 34 -14.518 -6.616 -3.482 1.00 0.00 C ATOM 423 O MET A 34 -13.323 -6.576 -3.191 1.00 0.00 O ATOM 424 CB MET A 34 -16.103 -7.647 -1.788 1.00 0.00 C ATOM 425 CG MET A 34 -16.675 -7.416 -0.383 1.00 0.00 C ATOM 426 SD MET A 34 -15.411 -7.183 0.901 1.00 0.00 S ATOM 427 CE MET A 34 -15.714 -5.459 1.381 1.00 0.00 C ATOM 0 HA MET A 34 -15.068 -5.751 -1.643 1.00 0.00 H new ATOM 0 HB2 MET A 34 -16.874 -8.071 -2.431 1.00 0.00 H new ATOM 0 HB3 MET A 34 -15.294 -8.375 -1.737 1.00 0.00 H new ATOM 0 HG2 MET A 34 -17.322 -6.539 -0.405 1.00 0.00 H new ATOM 0 HG3 MET A 34 -17.301 -8.267 -0.112 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.927 -5.126 2.058 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.718 -4.829 0.491 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.679 -5.385 1.882 1.00 0.00 H new ATOM 437 N GLN A 35 -14.910 -6.820 -4.744 1.00 0.00 N ATOM 438 CA GLN A 35 -13.968 -7.022 -5.850 1.00 0.00 C ATOM 439 C GLN A 35 -13.161 -5.755 -6.212 1.00 0.00 C ATOM 440 O GLN A 35 -12.064 -5.871 -6.759 1.00 0.00 O ATOM 441 CB GLN A 35 -14.725 -7.538 -7.084 1.00 0.00 C ATOM 442 CG GLN A 35 -15.394 -8.903 -6.843 1.00 0.00 C ATOM 443 CD GLN A 35 -16.075 -9.497 -8.081 1.00 0.00 C ATOM 444 OE1 GLN A 35 -16.138 -8.911 -9.159 1.00 0.00 O ATOM 445 NE2 GLN A 35 -16.608 -10.696 -7.978 1.00 0.00 N ATOM 0 H GLN A 35 -15.889 -6.850 -5.028 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.240 -7.761 -5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.485 -6.811 -7.369 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.033 -7.620 -7.922 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.642 -9.605 -6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.135 -8.797 -6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.566 -11.198 -7.091 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.063 -11.123 -8.785 1.00 0.00 H new ATOM 454 N ASP A 36 -13.663 -4.551 -5.904 1.00 0.00 N ATOM 455 CA ASP A 36 -12.960 -3.282 -6.128 1.00 0.00 C ATOM 456 C ASP A 36 -11.863 -3.052 -5.067 1.00 0.00 C ATOM 457 O ASP A 36 -10.707 -2.767 -5.395 1.00 0.00 O ATOM 458 CB ASP A 36 -13.954 -2.099 -6.122 1.00 0.00 C ATOM 459 CG ASP A 36 -15.187 -2.262 -7.031 1.00 0.00 C ATOM 460 OD1 ASP A 36 -15.081 -2.874 -8.121 1.00 0.00 O ATOM 461 OD2 ASP A 36 -16.270 -1.743 -6.663 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.585 -4.431 -5.485 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.483 -3.340 -7.106 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.297 -1.941 -5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.420 -1.197 -6.422 1.00 0.00 H new ATOM 466 N ILE A 37 -12.221 -3.221 -3.788 1.00 0.00 N ATOM 467 CA ILE A 37 -11.325 -3.047 -2.634 1.00 0.00 C ATOM 468 C ILE A 37 -10.213 -4.114 -2.601 1.00 0.00 C ATOM 469 O ILE A 37 -9.066 -3.761 -2.330 1.00 0.00 O ATOM 470 CB ILE A 37 -12.134 -2.969 -1.318 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.238 -2.840 -0.068 1.00 0.00 C ATOM 472 CG2 ILE A 37 -13.107 -4.140 -1.150 1.00 0.00 C ATOM 473 CD1 ILE A 37 -12.021 -2.535 1.218 1.00 0.00 C ATOM 0 H ILE A 37 -13.167 -3.490 -3.518 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.810 -2.093 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.720 -2.054 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.680 -3.767 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.507 -2.049 -0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.647 -4.032 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.817 -4.145 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.551 -5.077 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.328 -2.458 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.557 -1.593 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.734 -3.337 1.409 1.00 0.00 H new ATOM 485 N GLN A 38 -10.507 -5.376 -2.948 1.00 0.00 N ATOM 486 CA GLN A 38 -9.484 -6.427 -3.057 1.00 0.00 C ATOM 487 C GLN A 38 -8.391 -6.045 -4.072 1.00 0.00 C ATOM 488 O GLN A 38 -7.202 -6.134 -3.767 1.00 0.00 O ATOM 489 CB GLN A 38 -10.123 -7.769 -3.465 1.00 0.00 C ATOM 490 CG GLN A 38 -10.851 -8.487 -2.319 1.00 0.00 C ATOM 491 CD GLN A 38 -11.521 -9.774 -2.791 1.00 0.00 C ATOM 492 OE1 GLN A 38 -12.721 -9.836 -3.035 1.00 0.00 O ATOM 493 NE2 GLN A 38 -10.788 -10.856 -2.948 1.00 0.00 N ATOM 0 H GLN A 38 -11.452 -5.695 -3.159 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.022 -6.533 -2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.829 -7.592 -4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.346 -8.426 -3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.141 -8.717 -1.525 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.602 -7.822 -1.892 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.788 -10.827 -2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.220 -11.723 -3.267 1.00 0.00 H new ATOM 502 N GLN A 39 -8.767 -5.572 -5.265 1.00 0.00 N ATOM 503 CA GLN A 39 -7.816 -5.209 -6.324 1.00 0.00 C ATOM 504 C GLN A 39 -6.982 -3.961 -5.982 1.00 0.00 C ATOM 505 O GLN A 39 -5.765 -3.966 -6.202 1.00 0.00 O ATOM 506 CB GLN A 39 -8.568 -5.025 -7.653 1.00 0.00 C ATOM 507 CG GLN A 39 -9.018 -6.374 -8.237 1.00 0.00 C ATOM 508 CD GLN A 39 -9.791 -6.193 -9.540 1.00 0.00 C ATOM 509 OE1 GLN A 39 -9.254 -6.275 -10.639 1.00 0.00 O ATOM 510 NE2 GLN A 39 -11.083 -5.941 -9.474 1.00 0.00 N ATOM 0 H GLN A 39 -9.743 -5.429 -5.525 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.103 -6.028 -6.419 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.438 -4.387 -7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.924 -4.514 -8.369 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.146 -7.003 -8.415 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.643 -6.895 -7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.543 -5.870 -8.566 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.623 -5.817 -10.331 1.00 0.00 H new ATOM 519 N LEU A 40 -7.594 -2.920 -5.401 1.00 0.00 N ATOM 520 CA LEU A 40 -6.877 -1.717 -4.959 1.00 0.00 C ATOM 521 C LEU A 40 -5.862 -2.037 -3.845 1.00 0.00 C ATOM 522 O LEU A 40 -4.691 -1.657 -3.938 1.00 0.00 O ATOM 523 CB LEU A 40 -7.885 -0.643 -4.482 1.00 0.00 C ATOM 524 CG LEU A 40 -8.579 0.154 -5.607 1.00 0.00 C ATOM 525 CD1 LEU A 40 -9.762 0.942 -5.039 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.622 1.150 -6.272 1.00 0.00 C ATOM 0 H LEU A 40 -8.598 -2.888 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.317 -1.329 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.651 -1.130 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.363 0.058 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.915 -0.569 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.245 1.501 -5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.479 0.252 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.405 1.635 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.149 1.691 -7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.257 1.857 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.779 0.611 -6.704 1.00 0.00 H new ATOM 538 N LEU A 41 -6.286 -2.754 -2.799 1.00 0.00 N ATOM 539 CA LEU A 41 -5.494 -2.966 -1.587 1.00 0.00 C ATOM 540 C LEU A 41 -4.361 -3.997 -1.784 1.00 0.00 C ATOM 541 O LEU A 41 -3.265 -3.818 -1.242 1.00 0.00 O ATOM 542 CB LEU A 41 -6.480 -3.326 -0.460 1.00 0.00 C ATOM 543 CG LEU A 41 -5.908 -3.334 0.969 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.391 -1.951 1.367 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.021 -3.710 1.952 1.00 0.00 C ATOM 0 H LEU A 41 -7.199 -3.208 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.956 -2.057 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.310 -2.620 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.893 -4.313 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.087 -4.051 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.993 -1.989 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.602 -1.646 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.208 -1.231 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.623 -3.718 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.828 -2.980 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.405 -4.700 1.705 1.00 0.00 H new ATOM 557 N ALA A 42 -4.582 -5.033 -2.603 1.00 0.00 N ATOM 558 CA ALA A 42 -3.548 -6.008 -2.966 1.00 0.00 C ATOM 559 C ALA A 42 -2.423 -5.411 -3.837 1.00 0.00 C ATOM 560 O ALA A 42 -1.267 -5.820 -3.709 1.00 0.00 O ATOM 561 CB ALA A 42 -4.218 -7.187 -3.677 1.00 0.00 C ATOM 0 H ALA A 42 -5.488 -5.219 -3.034 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.062 -6.339 -2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.462 -7.922 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.946 -7.649 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.724 -6.831 -4.574 1.00 0.00 H new ATOM 567 N LYS A 43 -2.726 -4.421 -4.693 1.00 0.00 N ATOM 568 CA LYS A 43 -1.748 -3.732 -5.544 1.00 0.00 C ATOM 569 C LYS A 43 -0.717 -2.970 -4.707 1.00 0.00 C ATOM 570 O LYS A 43 0.486 -3.108 -4.941 1.00 0.00 O ATOM 571 CB LYS A 43 -2.527 -2.849 -6.534 1.00 0.00 C ATOM 572 CG LYS A 43 -1.598 -2.240 -7.578 1.00 0.00 C ATOM 573 CD LYS A 43 -2.353 -1.500 -8.686 1.00 0.00 C ATOM 574 CE LYS A 43 -1.343 -0.842 -9.633 1.00 0.00 C ATOM 575 NZ LYS A 43 -2.003 -0.209 -10.800 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.677 -4.072 -4.813 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.156 -4.446 -6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.295 -3.443 -7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.039 -2.054 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.912 -1.549 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.992 -3.029 -8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.987 -2.195 -9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.009 -0.745 -8.253 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.772 -0.090 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.632 -1.591 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.283 0.223 -11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.527 -0.930 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.663 0.524 -10.470 1.00 0.00 H new ATOM 589 N SER A 44 -1.153 -2.257 -3.665 1.00 0.00 N ATOM 590 CA SER A 44 -0.244 -1.606 -2.704 1.00 0.00 C ATOM 591 C SER A 44 0.577 -2.615 -1.890 1.00 0.00 C ATOM 592 O SER A 44 1.782 -2.430 -1.719 1.00 0.00 O ATOM 593 CB SER A 44 -1.030 -0.706 -1.746 1.00 0.00 C ATOM 594 OG SER A 44 -1.704 0.320 -2.453 1.00 0.00 O ATOM 0 H SER A 44 -2.142 -2.112 -3.460 1.00 0.00 H new ATOM 0 HA SER A 44 0.451 -1.008 -3.293 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.752 -1.304 -1.189 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.351 -0.265 -1.016 1.00 0.00 H new ATOM 0 HG SER A 44 -2.200 0.881 -1.821 1.00 0.00 H new ATOM 600 N LEU A 45 -0.037 -3.714 -1.433 1.00 0.00 N ATOM 601 CA LEU A 45 0.651 -4.796 -0.714 1.00 0.00 C ATOM 602 C LEU A 45 1.759 -5.453 -1.565 1.00 0.00 C ATOM 603 O LEU A 45 2.866 -5.672 -1.077 1.00 0.00 O ATOM 604 CB LEU A 45 -0.431 -5.784 -0.213 1.00 0.00 C ATOM 605 CG LEU A 45 0.002 -7.017 0.605 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.478 -8.183 -0.264 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.075 -6.703 1.651 1.00 0.00 C ATOM 0 H LEU A 45 -1.036 -3.879 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 45 1.191 -4.402 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.137 -5.218 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.977 -6.143 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.909 -7.319 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.768 -9.018 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.329 -8.496 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.335 -7.867 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.334 -7.614 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.963 -6.310 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.693 -5.961 2.353 1.00 0.00 H new ATOM 619 N THR A 46 1.504 -5.675 -2.855 1.00 0.00 N ATOM 620 CA THR A 46 2.498 -6.179 -3.820 1.00 0.00 C ATOM 621 C THR A 46 3.682 -5.217 -3.973 1.00 0.00 C ATOM 622 O THR A 46 4.836 -5.650 -3.991 1.00 0.00 O ATOM 623 CB THR A 46 1.840 -6.454 -5.187 1.00 0.00 C ATOM 624 OG1 THR A 46 0.831 -7.436 -5.054 1.00 0.00 O ATOM 625 CG2 THR A 46 2.828 -6.987 -6.229 1.00 0.00 C ATOM 0 H THR A 46 0.588 -5.509 -3.271 1.00 0.00 H new ATOM 0 HA THR A 46 2.888 -7.118 -3.426 1.00 0.00 H new ATOM 0 HB THR A 46 1.442 -5.495 -5.520 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.043 -7.040 -4.627 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.306 -7.161 -7.170 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.622 -6.257 -6.385 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.260 -7.923 -5.875 1.00 0.00 H new ATOM 633 N GLU A 47 3.440 -3.902 -4.013 1.00 0.00 N ATOM 634 CA GLU A 47 4.499 -2.892 -4.125 1.00 0.00 C ATOM 635 C GLU A 47 5.387 -2.800 -2.868 1.00 0.00 C ATOM 636 O GLU A 47 6.601 -2.624 -2.992 1.00 0.00 O ATOM 637 CB GLU A 47 3.879 -1.533 -4.499 1.00 0.00 C ATOM 638 CG GLU A 47 4.896 -0.478 -4.962 1.00 0.00 C ATOM 639 CD GLU A 47 5.608 -0.815 -6.292 1.00 0.00 C ATOM 640 OE1 GLU A 47 6.621 -0.146 -6.613 1.00 0.00 O ATOM 641 OE2 GLU A 47 5.171 -1.728 -7.033 1.00 0.00 O1- ATOM 0 H GLU A 47 2.501 -3.507 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 47 5.173 -3.204 -4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.147 -1.687 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.338 -1.144 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.385 0.478 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.648 -0.351 -4.184 1.00 0.00 H new ATOM 648 N ILE A 48 4.828 -3.001 -1.665 1.00 0.00 N ATOM 649 CA ILE A 48 5.619 -3.131 -0.426 1.00 0.00 C ATOM 650 C ILE A 48 6.595 -4.311 -0.545 1.00 0.00 C ATOM 651 O ILE A 48 7.793 -4.157 -0.295 1.00 0.00 O ATOM 652 CB ILE A 48 4.713 -3.290 0.824 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.833 -2.041 1.063 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.548 -3.586 2.084 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.658 -2.305 2.012 1.00 0.00 C ATOM 0 H ILE A 48 3.821 -3.078 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 48 6.188 -2.211 -0.295 1.00 0.00 H new ATOM 0 HB ILE A 48 4.056 -4.137 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.451 -1.242 1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.447 -1.687 0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.885 -3.692 2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.107 -4.510 1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.243 -2.765 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.080 -1.390 2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.020 -3.083 1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.038 -2.630 2.980 1.00 0.00 H new ATOM 667 N LYS A 49 6.103 -5.478 -0.983 1.00 0.00 N ATOM 668 CA LYS A 49 6.905 -6.705 -1.154 1.00 0.00 C ATOM 669 C LYS A 49 8.016 -6.541 -2.200 1.00 0.00 C ATOM 670 O LYS A 49 9.136 -6.986 -1.953 1.00 0.00 O ATOM 671 CB LYS A 49 5.995 -7.887 -1.501 1.00 0.00 C ATOM 672 CG LYS A 49 5.144 -8.335 -0.297 1.00 0.00 C ATOM 673 CD LYS A 49 4.194 -9.473 -0.703 1.00 0.00 C ATOM 674 CE LYS A 49 3.330 -9.975 0.463 1.00 0.00 C ATOM 675 NZ LYS A 49 4.107 -10.767 1.448 1.00 0.00 N1+ ATOM 0 H LYS A 49 5.122 -5.602 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 49 7.401 -6.905 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.338 -7.609 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.603 -8.723 -1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.794 -8.668 0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.568 -7.491 0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.545 -9.128 -1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.778 -10.303 -1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.874 -9.122 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.517 -10.586 0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.454 -11.289 2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.721 -11.440 0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.692 -10.128 2.024 1.00 0.00 H new ATOM 689 N ARG A 50 7.748 -5.861 -3.324 1.00 0.00 N ATOM 690 CA ARG A 50 8.759 -5.515 -4.355 1.00 0.00 C ATOM 691 C ARG A 50 9.897 -4.667 -3.783 1.00 0.00 C ATOM 692 O ARG A 50 11.069 -5.002 -3.971 1.00 0.00 O ATOM 693 CB ARG A 50 8.098 -4.750 -5.513 1.00 0.00 C ATOM 694 CG ARG A 50 7.241 -5.622 -6.443 1.00 0.00 C ATOM 695 CD ARG A 50 6.463 -4.691 -7.376 1.00 0.00 C ATOM 696 NE ARG A 50 5.598 -5.413 -8.321 1.00 0.00 N ATOM 697 CZ ARG A 50 4.551 -4.903 -8.949 1.00 0.00 C ATOM 698 NH1 ARG A 50 4.154 -3.670 -8.779 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 3.873 -5.641 -9.779 1.00 0.00 N ATOM 0 H ARG A 50 6.812 -5.527 -3.553 1.00 0.00 H new ATOM 0 HA ARG A 50 9.180 -6.454 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.473 -3.958 -5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.876 -4.266 -6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.871 -6.300 -7.019 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.556 -6.240 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.853 -4.014 -6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.167 -4.075 -7.935 1.00 0.00 H new ATOM 0 HE ARG A 50 5.824 -6.390 -8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.658 -3.056 -8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.340 -3.322 -9.286 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.149 -6.609 -9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.065 -5.252 -10.265 1.00 0.00 H new ATOM 713 N LEU A 51 9.564 -3.603 -3.042 1.00 0.00 N ATOM 714 CA LEU A 51 10.547 -2.712 -2.410 1.00 0.00 C ATOM 715 C LEU A 51 11.372 -3.436 -1.336 1.00 0.00 C ATOM 716 O LEU A 51 12.595 -3.283 -1.308 1.00 0.00 O ATOM 717 CB LEU A 51 9.833 -1.473 -1.829 1.00 0.00 C ATOM 718 CG LEU A 51 9.787 -0.223 -2.728 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.178 0.401 -2.878 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.216 -0.490 -4.120 1.00 0.00 C ATOM 0 H LEU A 51 8.597 -3.333 -2.862 1.00 0.00 H new ATOM 0 HA LEU A 51 11.251 -2.386 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.809 -1.754 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.324 -1.203 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 51 9.114 0.468 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.115 1.281 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.554 0.691 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.856 -0.325 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.215 0.435 -4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.830 -1.233 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.196 -0.863 -4.029 1.00 0.00 H new ATOM 732 N LYS A 52 10.737 -4.266 -0.495 1.00 0.00 N ATOM 733 CA LYS A 52 11.441 -5.098 0.495 1.00 0.00 C ATOM 734 C LYS A 52 12.399 -6.094 -0.156 1.00 0.00 C ATOM 735 O LYS A 52 13.524 -6.229 0.321 1.00 0.00 O ATOM 736 CB LYS A 52 10.435 -5.841 1.388 1.00 0.00 C ATOM 737 CG LYS A 52 9.832 -4.934 2.466 1.00 0.00 C ATOM 738 CD LYS A 52 9.001 -5.776 3.438 1.00 0.00 C ATOM 739 CE LYS A 52 8.497 -4.920 4.600 1.00 0.00 C ATOM 740 NZ LYS A 52 8.063 -5.794 5.713 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.723 -4.380 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 52 12.039 -4.423 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.635 -6.248 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.931 -6.687 1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.625 -4.415 3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.207 -4.170 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.155 -6.218 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.604 -6.599 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.286 -4.249 4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.667 -4.295 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.312 -5.320 6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.701 -6.690 5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.871 -5.987 6.339 1.00 0.00 H new ATOM 754 N ALA A 53 12.002 -6.742 -1.254 1.00 0.00 N ATOM 755 CA ALA A 53 12.858 -7.680 -1.987 1.00 0.00 C ATOM 756 C ALA A 53 14.106 -6.990 -2.576 1.00 0.00 C ATOM 757 O ALA A 53 15.213 -7.503 -2.418 1.00 0.00 O ATOM 758 CB ALA A 53 12.019 -8.375 -3.073 1.00 0.00 C ATOM 0 H ALA A 53 11.074 -6.631 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 53 13.236 -8.430 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.646 -9.075 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.195 -8.915 -2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.620 -7.627 -3.759 1.00 0.00 H new ATOM 764 N ALA A 54 13.950 -5.806 -3.181 1.00 0.00 N ATOM 765 CA ALA A 54 15.069 -5.018 -3.697 1.00 0.00 C ATOM 766 C ALA A 54 16.037 -4.569 -2.582 1.00 0.00 C ATOM 767 O ALA A 54 17.253 -4.729 -2.709 1.00 0.00 O ATOM 768 CB ALA A 54 14.499 -3.819 -4.466 1.00 0.00 C ATOM 0 H ALA A 54 13.040 -5.369 -3.325 1.00 0.00 H new ATOM 0 HA ALA A 54 15.663 -5.640 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.318 -3.217 -4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.882 -4.176 -5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.892 -3.211 -3.795 1.00 0.00 H new ATOM 774 N ASN A 55 15.495 -4.072 -1.462 1.00 0.00 N ATOM 775 CA ASN A 55 16.255 -3.631 -0.288 1.00 0.00 C ATOM 776 C ASN A 55 17.040 -4.806 0.343 1.00 0.00 C ATOM 777 O ASN A 55 18.248 -4.703 0.568 1.00 0.00 O ATOM 778 CB ASN A 55 15.245 -2.970 0.679 1.00 0.00 C ATOM 779 CG ASN A 55 15.867 -2.199 1.833 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.832 -2.617 2.452 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.330 -1.046 2.169 1.00 0.00 N ATOM 0 H ASN A 55 14.487 -3.963 -1.346 1.00 0.00 H new ATOM 0 HA ASN A 55 17.020 -2.902 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.611 -2.291 0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.596 -3.745 1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.720 -0.508 2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.523 -0.690 1.656 1.00 0.00 H new ATOM 1054 N PRO B 110 -8.842 -13.983 -0.662 1.00 0.00 N ATOM 1055 CA PRO B 110 -9.914 -13.174 -0.085 1.00 0.00 C ATOM 1056 C PRO B 110 -9.389 -11.965 0.703 1.00 0.00 C ATOM 1057 O PRO B 110 -8.245 -11.931 1.165 1.00 0.00 O ATOM 1058 CB PRO B 110 -10.731 -14.128 0.791 1.00 0.00 C ATOM 1059 CG PRO B 110 -9.701 -15.163 1.223 1.00 0.00 C ATOM 1060 CD PRO B 110 -8.822 -15.297 -0.023 1.00 0.00 C ATOM 0 HA PRO B 110 -10.529 -12.732 -0.869 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.170 -13.614 1.646 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -11.552 -14.583 0.236 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.129 -14.829 2.089 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.167 -16.110 1.495 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -7.806 -15.588 0.244 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -9.207 -16.065 -0.694 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.261 -10.970 0.895 1.00 0.00 N ATOM 1069 CA ILE B 111 -9.939 -9.710 1.585 1.00 0.00 C ATOM 1070 C ILE B 111 -9.415 -9.913 3.019 1.00 0.00 C ATOM 1071 O ILE B 111 -8.552 -9.167 3.477 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.155 -8.759 1.531 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.772 -7.386 2.115 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.411 -9.334 2.209 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -11.679 -6.268 1.621 1.00 0.00 C ATOM 0 H ILE B 111 -11.227 -11.015 0.571 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.109 -9.246 1.052 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.425 -8.639 0.482 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.818 -7.432 3.203 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -9.740 -7.157 1.849 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.226 -8.615 2.134 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.699 -10.262 1.714 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -12.198 -9.534 3.259 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -11.365 -5.323 2.063 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -11.614 -6.200 0.535 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.708 -6.480 1.911 1.00 0.00 H new ATOM 1087 N ASP B 112 -9.893 -10.946 3.716 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.498 -11.280 5.090 1.00 0.00 C ATOM 1089 C ASP B 112 -8.018 -11.702 5.200 1.00 0.00 C ATOM 1090 O ASP B 112 -7.406 -11.531 6.255 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.438 -12.381 5.615 1.00 0.00 C ATOM 1092 CG ASP B 112 -10.399 -12.549 7.142 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -10.298 -11.540 7.877 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -10.533 -13.707 7.610 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.583 -11.591 3.332 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.592 -10.385 5.706 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -11.459 -12.151 5.309 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -10.171 -13.328 5.147 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.426 -12.211 4.114 1.00 0.00 N ATOM 1100 CA GLU B 113 -5.982 -12.458 4.018 1.00 0.00 C ATOM 1101 C GLU B 113 -5.212 -11.167 3.688 1.00 0.00 C ATOM 1102 O GLU B 113 -4.374 -10.743 4.477 1.00 0.00 O ATOM 1103 CB GLU B 113 -5.680 -13.561 2.990 1.00 0.00 C ATOM 1104 CG GLU B 113 -6.215 -14.948 3.377 1.00 0.00 C ATOM 1105 CD GLU B 113 -5.661 -15.495 4.709 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -4.467 -15.281 5.027 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -6.412 -16.187 5.441 1.00 0.00 O1- ATOM 0 H GLU B 113 -7.939 -12.465 3.270 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.640 -12.804 4.993 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.109 -13.274 2.030 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -4.601 -13.626 2.851 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -7.302 -14.900 3.442 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -5.974 -15.652 2.581 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.489 -10.499 2.558 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.677 -9.361 2.096 1.00 0.00 C ATOM 1116 C LEU B 114 -4.723 -8.143 3.045 1.00 0.00 C ATOM 1117 O LEU B 114 -3.717 -7.451 3.208 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.026 -9.001 0.640 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.441 -8.439 0.415 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.408 -6.920 0.253 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.070 -9.021 -0.852 1.00 0.00 C ATOM 0 H LEU B 114 -6.272 -10.728 1.945 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.636 -9.682 2.118 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.302 -8.269 0.282 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -4.907 -9.893 0.025 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.029 -8.715 1.290 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.421 -6.549 0.095 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -5.991 -6.467 1.153 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -5.788 -6.659 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.069 -8.606 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.453 -8.767 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.136 -10.105 -0.760 1.00 0.00 H new ATOM 1133 N SER B 115 -5.856 -7.911 3.719 1.00 0.00 N ATOM 1134 CA SER B 115 -6.020 -6.857 4.736 1.00 0.00 C ATOM 1135 C SER B 115 -5.232 -7.145 6.032 1.00 0.00 C ATOM 1136 O SER B 115 -4.872 -6.224 6.767 1.00 0.00 O ATOM 1137 CB SER B 115 -7.514 -6.678 5.028 1.00 0.00 C ATOM 1138 OG SER B 115 -7.765 -5.682 6.004 1.00 0.00 O ATOM 0 H SER B 115 -6.703 -8.460 3.572 1.00 0.00 H new ATOM 0 HA SER B 115 -5.604 -5.932 4.336 1.00 0.00 H new ATOM 0 HB2 SER B 115 -8.031 -6.415 4.105 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.930 -7.627 5.368 1.00 0.00 H new ATOM 0 HG SER B 115 -8.731 -5.606 6.153 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.918 -8.419 6.309 1.00 0.00 N ATOM 1145 CA ALA B 116 -4.002 -8.836 7.377 1.00 0.00 C ATOM 1146 C ALA B 116 -2.525 -8.844 6.929 1.00 0.00 C ATOM 1147 O ALA B 116 -1.648 -8.481 7.712 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.440 -10.212 7.893 1.00 0.00 C ATOM 0 H ALA B 116 -5.303 -9.204 5.784 1.00 0.00 H new ATOM 0 HA ALA B 116 -4.058 -8.105 8.183 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.767 -10.534 8.688 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.456 -10.148 8.282 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.409 -10.934 7.077 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.230 -9.218 5.678 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.858 -9.298 5.151 1.00 0.00 C ATOM 1156 C LEU B 117 -0.137 -7.945 5.175 1.00 0.00 C ATOM 1157 O LEU B 117 1.034 -7.902 5.543 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.865 -9.892 3.723 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.446 -11.373 3.645 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.387 -12.315 4.396 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.389 -11.822 2.184 1.00 0.00 C ATOM 0 H LEU B 117 -2.942 -9.476 4.995 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.298 -9.961 5.811 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.866 -9.788 3.305 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.195 -9.304 3.095 1.00 0.00 H new ATOM 0 HG LEU B 117 0.533 -11.432 4.121 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -1.030 -13.340 4.298 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.413 -12.039 5.450 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.390 -12.238 3.976 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.092 -12.870 2.137 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.372 -11.702 1.728 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.338 -11.214 1.645 1.00 0.00 H new ATOM 1173 N LEU B 118 -0.816 -6.834 4.866 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.219 -5.493 4.981 1.00 0.00 C ATOM 1175 C LEU B 118 0.161 -5.140 6.433 1.00 0.00 C ATOM 1176 O LEU B 118 1.201 -4.525 6.670 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.137 -4.451 4.309 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.479 -4.163 5.017 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.403 -2.959 5.966 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.562 -3.851 3.983 1.00 0.00 C ATOM 0 H LEU B 118 -1.780 -6.835 4.534 1.00 0.00 H new ATOM 0 HA LEU B 118 0.729 -5.485 4.443 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.587 -3.514 4.225 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.351 -4.787 3.294 1.00 0.00 H new ATOM 0 HG LEU B 118 -2.714 -5.058 5.593 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.374 -2.804 6.435 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -1.655 -3.149 6.735 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.126 -2.068 5.402 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.504 -3.649 4.493 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.269 -2.976 3.402 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.685 -4.705 3.316 1.00 0.00 H new ATOM 1192 N ARG B 119 -0.634 -5.589 7.411 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.375 -5.379 8.849 1.00 0.00 C ATOM 1194 C ARG B 119 0.788 -6.252 9.335 1.00 0.00 C ATOM 1195 O ARG B 119 1.656 -5.777 10.063 1.00 0.00 O ATOM 1196 CB ARG B 119 -1.642 -5.655 9.675 1.00 0.00 C ATOM 1197 CG ARG B 119 -2.846 -4.829 9.207 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.079 -5.124 10.069 1.00 0.00 C ATOM 1199 NE ARG B 119 -5.321 -4.893 9.306 1.00 0.00 N ATOM 1200 CZ ARG B 119 -6.474 -4.441 9.751 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -6.669 -4.124 10.999 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -7.477 -4.312 8.936 1.00 0.00 N ATOM 0 H ARG B 119 -1.488 -6.116 7.228 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.093 -4.336 8.989 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -1.888 -6.715 9.612 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -1.442 -5.436 10.724 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -2.606 -3.767 9.259 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.064 -5.055 8.163 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -4.047 -6.157 10.416 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.068 -4.490 10.955 1.00 0.00 H new ATOM 0 HE ARG B 119 -5.281 -5.111 8.310 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -5.911 -4.222 11.675 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -7.580 -3.777 11.301 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -7.370 -4.561 7.953 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -8.371 -3.962 9.279 1.00 0.00 H new ATOM 1216 N GLN B 120 0.847 -7.500 8.874 1.00 0.00 N ATOM 1217 CA GLN B 120 1.932 -8.440 9.121 1.00 0.00 C ATOM 1218 C GLN B 120 3.273 -7.968 8.513 1.00 0.00 C ATOM 1219 O GLN B 120 4.314 -8.067 9.167 1.00 0.00 O ATOM 1220 CB GLN B 120 1.470 -9.798 8.565 1.00 0.00 C ATOM 1221 CG GLN B 120 2.467 -10.927 8.835 1.00 0.00 C ATOM 1222 CD GLN B 120 2.022 -12.266 8.241 1.00 0.00 C ATOM 1223 OE1 GLN B 120 2.719 -12.882 7.442 1.00 0.00 O ATOM 1224 NE2 GLN B 120 0.846 -12.771 8.571 1.00 0.00 N ATOM 0 H GLN B 120 0.108 -7.898 8.294 1.00 0.00 H new ATOM 0 HA GLN B 120 2.137 -8.518 10.189 1.00 0.00 H new ATOM 0 HB2 GLN B 120 0.508 -10.057 9.008 1.00 0.00 H new ATOM 0 HB3 GLN B 120 1.313 -9.709 7.490 1.00 0.00 H new ATOM 0 HG2 GLN B 120 3.438 -10.655 8.420 1.00 0.00 H new ATOM 0 HG3 GLN B 120 2.600 -11.038 9.911 1.00 0.00 H new ATOM 0 HE21 GLN B 120 0.247 -12.278 9.233 1.00 0.00 H new ATOM 0 HE22 GLN B 120 0.537 -13.654 8.163 1.00 0.00 H new ATOM 1233 N GLU B 121 3.255 -7.381 7.312 1.00 0.00 N ATOM 1234 CA GLU B 121 4.430 -6.723 6.706 1.00 0.00 C ATOM 1235 C GLU B 121 4.893 -5.490 7.507 1.00 0.00 C ATOM 1236 O GLU B 121 6.095 -5.238 7.613 1.00 0.00 O ATOM 1237 CB GLU B 121 4.126 -6.335 5.248 1.00 0.00 C ATOM 1238 CG GLU B 121 4.087 -7.526 4.270 1.00 0.00 C ATOM 1239 CD GLU B 121 5.445 -8.210 4.032 1.00 0.00 C ATOM 1240 OE1 GLU B 121 6.482 -7.763 4.578 1.00 0.00 O ATOM 1241 OE2 GLU B 121 5.475 -9.208 3.274 1.00 0.00 O1- ATOM 0 H GLU B 121 2.422 -7.346 6.725 1.00 0.00 H new ATOM 0 HA GLU B 121 5.250 -7.441 6.727 1.00 0.00 H new ATOM 0 HB2 GLU B 121 3.166 -5.820 5.214 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.880 -5.625 4.908 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.384 -8.267 4.650 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.698 -7.179 3.313 1.00 0.00 H new ATOM 1248 N MET B 122 3.965 -4.756 8.127 1.00 0.00 N ATOM 1249 CA MET B 122 4.250 -3.683 9.093 1.00 0.00 C ATOM 1250 C MET B 122 4.534 -4.188 10.528 1.00 0.00 C ATOM 1251 O MET B 122 4.642 -3.387 11.457 1.00 0.00 O ATOM 1252 CB MET B 122 3.142 -2.621 9.022 1.00 0.00 C ATOM 1253 CG MET B 122 3.298 -1.796 7.738 1.00 0.00 C ATOM 1254 SD MET B 122 2.068 -0.485 7.483 1.00 0.00 S ATOM 1255 CE MET B 122 1.018 -1.278 6.229 1.00 0.00 C ATOM 0 H MET B 122 2.967 -4.893 7.969 1.00 0.00 H new ATOM 0 HA MET B 122 5.191 -3.214 8.804 1.00 0.00 H new ATOM 0 HB2 MET B 122 2.163 -3.101 9.041 1.00 0.00 H new ATOM 0 HB3 MET B 122 3.194 -1.968 9.894 1.00 0.00 H new ATOM 0 HG2 MET B 122 4.289 -1.342 7.739 1.00 0.00 H new ATOM 0 HG3 MET B 122 3.259 -2.475 6.886 1.00 0.00 H new ATOM 0 HE1 MET B 122 0.402 -0.523 5.740 1.00 0.00 H new ATOM 0 HE2 MET B 122 1.646 -1.771 5.487 1.00 0.00 H new ATOM 0 HE3 MET B 122 0.375 -2.016 6.707 1.00 0.00 H new ATOM 1349 N SER B 133 -17.782 0.240 3.792 1.00 0.00 N ATOM 1350 CA SER B 133 -18.066 1.690 3.871 1.00 0.00 C ATOM 1351 C SER B 133 -16.851 2.540 3.477 1.00 0.00 C ATOM 1352 O SER B 133 -15.706 2.156 3.729 1.00 0.00 O ATOM 1353 CB SER B 133 -18.519 2.074 5.285 1.00 0.00 C ATOM 1354 OG SER B 133 -19.663 1.333 5.684 1.00 0.00 O ATOM 0 HA SER B 133 -18.866 1.894 3.160 1.00 0.00 H new ATOM 0 HB2 SER B 133 -17.706 1.897 5.989 1.00 0.00 H new ATOM 0 HB3 SER B 133 -18.744 3.140 5.319 1.00 0.00 H new ATOM 0 HG SER B 133 -19.712 0.503 5.165 1.00 0.00 H new ATOM 1360 N MET B 134 -17.079 3.734 2.910 1.00 0.00 N ATOM 1361 CA MET B 134 -16.022 4.640 2.418 1.00 0.00 C ATOM 1362 C MET B 134 -14.998 5.032 3.501 1.00 0.00 C ATOM 1363 O MET B 134 -13.800 5.116 3.226 1.00 0.00 O ATOM 1364 CB MET B 134 -16.656 5.890 1.795 1.00 0.00 C ATOM 1365 CG MET B 134 -17.148 5.617 0.366 1.00 0.00 C ATOM 1366 SD MET B 134 -15.825 5.507 -0.874 1.00 0.00 S ATOM 1367 CE MET B 134 -16.035 3.785 -1.412 1.00 0.00 C ATOM 0 H MET B 134 -18.019 4.107 2.777 1.00 0.00 H new ATOM 0 HA MET B 134 -15.463 4.092 1.660 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.491 6.222 2.412 1.00 0.00 H new ATOM 0 HB3 MET B 134 -15.928 6.701 1.782 1.00 0.00 H new ATOM 0 HG2 MET B 134 -17.713 4.685 0.361 1.00 0.00 H new ATOM 0 HG3 MET B 134 -17.838 6.409 0.075 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.273 3.540 -2.152 1.00 0.00 H new ATOM 0 HE2 MET B 134 -15.934 3.121 -0.554 1.00 0.00 H new ATOM 0 HE3 MET B 134 -17.024 3.660 -1.854 1.00 0.00 H new ATOM 1377 N GLN B 135 -15.435 5.198 4.751 1.00 0.00 N ATOM 1378 CA GLN B 135 -14.539 5.469 5.889 1.00 0.00 C ATOM 1379 C GLN B 135 -13.603 4.295 6.250 1.00 0.00 C ATOM 1380 O GLN B 135 -12.562 4.518 6.872 1.00 0.00 O ATOM 1381 CB GLN B 135 -15.377 5.897 7.112 1.00 0.00 C ATOM 1382 CG GLN B 135 -16.399 4.849 7.590 1.00 0.00 C ATOM 1383 CD GLN B 135 -16.586 4.877 9.110 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -17.031 5.860 9.692 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -16.247 3.818 9.808 1.00 0.00 N ATOM 0 H GLN B 135 -16.421 5.149 5.008 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.877 6.278 5.581 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -14.701 6.128 7.936 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -15.908 6.817 6.868 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -17.358 5.030 7.104 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -16.069 3.856 7.284 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -15.876 2.994 9.336 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -16.355 3.820 10.822 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.947 3.053 5.895 1.00 0.00 N ATOM 1395 CA ASP B 136 -13.176 1.843 6.224 1.00 0.00 C ATOM 1396 C ASP B 136 -12.109 1.547 5.150 1.00 0.00 C ATOM 1397 O ASP B 136 -10.936 1.347 5.464 1.00 0.00 O ATOM 1398 CB ASP B 136 -14.127 0.642 6.401 1.00 0.00 C ATOM 1399 CG ASP B 136 -15.157 0.788 7.538 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -15.008 1.649 8.438 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -16.132 -0.001 7.546 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.790 2.853 5.357 1.00 0.00 H new ATOM 0 HA ASP B 136 -12.652 2.017 7.164 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -14.662 0.481 5.465 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -13.530 -0.251 6.585 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.501 1.588 3.869 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.608 1.388 2.711 1.00 0.00 C ATOM 1408 C ILE B 137 -10.492 2.448 2.644 1.00 0.00 C ATOM 1409 O ILE B 137 -9.342 2.102 2.353 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.434 1.326 1.408 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.541 1.052 0.173 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.283 2.582 1.195 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -12.344 0.807 -1.113 1.00 0.00 C ATOM 0 H ILE B 137 -13.469 1.765 3.599 1.00 0.00 H new ATOM 0 HA ILE B 137 -11.101 0.432 2.837 1.00 0.00 H new ATOM 0 HB ILE B 137 -13.119 0.486 1.522 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.873 1.900 0.020 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.913 0.184 0.372 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.844 2.488 0.265 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.977 2.698 2.028 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.633 3.455 1.140 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.659 0.621 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.992 -0.059 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.952 1.684 -1.335 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.786 3.721 2.952 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.784 4.796 2.946 1.00 0.00 C ATOM 1427 C GLN B 138 -8.660 4.552 3.964 1.00 0.00 C ATOM 1428 O GLN B 138 -7.489 4.745 3.637 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.443 6.159 3.227 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.202 6.699 2.001 1.00 0.00 C ATOM 1431 CD GLN B 138 -11.799 8.093 2.225 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -12.978 8.340 2.023 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.020 9.065 2.664 1.00 0.00 N ATOM 0 H GLN B 138 -11.722 4.032 3.211 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.341 4.802 1.950 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.132 6.062 4.066 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.678 6.877 3.524 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.524 6.734 1.149 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -12.002 6.005 1.743 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.032 8.886 2.841 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -11.407 9.995 2.826 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.992 4.091 5.179 1.00 0.00 N ATOM 1443 CA GLN B 139 -8.009 3.806 6.236 1.00 0.00 C ATOM 1444 C GLN B 139 -7.050 2.673 5.842 1.00 0.00 C ATOM 1445 O GLN B 139 -5.838 2.809 6.017 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.726 3.470 7.557 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.377 4.707 8.192 1.00 0.00 C ATOM 1448 CD GLN B 139 -10.104 4.359 9.490 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -9.506 4.202 10.547 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -11.412 4.225 9.469 1.00 0.00 N ATOM 0 H GLN B 139 -9.955 3.904 5.458 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.408 4.705 6.374 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.489 2.714 7.373 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -8.011 3.037 8.257 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -8.613 5.458 8.393 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -10.081 5.150 7.488 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -11.924 4.353 8.596 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -11.915 3.993 10.326 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.559 1.589 5.254 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.741 0.468 4.770 1.00 0.00 C ATOM 1461 C LEU B 140 -5.808 0.896 3.626 1.00 0.00 C ATOM 1462 O LEU B 140 -4.603 0.649 3.677 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.646 -0.684 4.298 1.00 0.00 C ATOM 1464 CG LEU B 140 -8.548 -1.304 5.379 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -9.472 -2.333 4.731 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -7.743 -2.019 6.464 1.00 0.00 C ATOM 0 H LEU B 140 -8.559 1.460 5.098 1.00 0.00 H new ATOM 0 HA LEU B 140 -6.122 0.131 5.601 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.278 -0.318 3.489 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -7.016 -1.470 3.881 1.00 0.00 H new ATOM 0 HG LEU B 140 -9.108 -0.490 5.839 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -10.114 -2.776 5.492 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -10.088 -1.844 3.976 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -8.874 -3.114 4.261 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -8.424 -2.440 7.204 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -7.156 -2.820 6.014 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -7.074 -1.308 6.949 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.363 1.562 2.607 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.650 1.894 1.374 1.00 0.00 C ATOM 1480 C LEU B 141 -4.628 3.034 1.558 1.00 0.00 C ATOM 1481 O LEU B 141 -3.606 3.057 0.876 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.703 2.165 0.278 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.167 2.167 -1.165 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.569 0.812 -1.546 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.316 2.445 -2.136 1.00 0.00 C ATOM 0 H LEU B 141 -7.330 1.888 2.618 1.00 0.00 H new ATOM 0 HA LEU B 141 -5.030 1.052 1.065 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.486 1.411 0.356 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.169 3.130 0.476 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.396 2.935 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.201 0.852 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.744 0.576 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.335 0.041 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.937 2.446 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -8.076 1.670 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.756 3.417 -1.911 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.854 3.945 2.513 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.857 4.936 2.934 1.00 0.00 C ATOM 1499 C ALA B 142 -2.683 4.307 3.711 1.00 0.00 C ATOM 1500 O ALA B 142 -1.528 4.687 3.502 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.555 5.996 3.797 1.00 0.00 C ATOM 0 H ALA B 142 -5.738 4.015 3.017 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.429 5.387 2.039 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.827 6.741 4.118 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.338 6.482 3.214 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.997 5.519 4.672 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.953 3.336 4.595 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.957 2.662 5.438 1.00 0.00 C ATOM 1509 C LYS B 143 -0.966 1.841 4.604 1.00 0.00 C ATOM 1510 O LYS B 143 0.242 1.929 4.830 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.748 1.832 6.464 1.00 0.00 C ATOM 1512 CG LYS B 143 -1.931 1.045 7.481 1.00 0.00 C ATOM 1513 CD LYS B 143 -0.965 1.903 8.312 1.00 0.00 C ATOM 1514 CE LYS B 143 -0.400 1.084 9.482 1.00 0.00 C ATOM 1515 NZ LYS B 143 0.618 1.848 10.246 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.900 2.988 4.747 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.323 3.377 5.962 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.411 2.505 7.007 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -3.381 1.131 5.920 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -2.613 0.528 8.156 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -1.360 0.279 6.957 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -0.150 2.260 7.682 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -1.484 2.783 8.692 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -1.212 0.793 10.148 1.00 0.00 H new ATOM 0 HE3 LYS B 143 0.045 0.165 9.101 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 0.977 1.263 11.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 1.405 2.104 9.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 0.187 2.713 10.630 1.00 0.00 H new ATOM 1529 N SER B 144 -1.442 1.104 3.599 1.00 0.00 N ATOM 1530 CA SER B 144 -0.582 0.370 2.655 1.00 0.00 C ATOM 1531 C SER B 144 0.229 1.308 1.742 1.00 0.00 C ATOM 1532 O SER B 144 1.409 1.057 1.498 1.00 0.00 O ATOM 1533 CB SER B 144 -1.432 -0.605 1.829 1.00 0.00 C ATOM 1534 OG SER B 144 -2.456 0.064 1.114 1.00 0.00 O ATOM 0 H SER B 144 -2.439 0.996 3.412 1.00 0.00 H new ATOM 0 HA SER B 144 0.146 -0.193 3.239 1.00 0.00 H new ATOM 0 HB2 SER B 144 -0.792 -1.142 1.129 1.00 0.00 H new ATOM 0 HB3 SER B 144 -1.877 -1.349 2.490 1.00 0.00 H new ATOM 0 HG SER B 144 -2.058 0.598 0.395 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.354 2.427 1.291 1.00 0.00 N ATOM 1541 CA LEU B 145 0.342 3.455 0.500 1.00 0.00 C ATOM 1542 C LEU B 145 1.472 4.132 1.301 1.00 0.00 C ATOM 1543 O LEU B 145 2.579 4.313 0.793 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.729 4.428 -0.046 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.280 5.648 -0.873 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.201 6.820 -0.019 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.775 5.309 -1.927 1.00 0.00 C ATOM 0 H LEU B 145 -1.334 2.648 1.467 1.00 0.00 H new ATOM 0 HA LEU B 145 0.863 3.010 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.416 3.848 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.300 4.800 0.805 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.187 5.961 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.501 7.643 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.606 7.149 0.635 1.00 0.00 H new ATOM 0 HD13 LEU B 145 1.052 6.505 0.585 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.047 6.212 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.660 4.901 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.372 4.572 -2.622 1.00 0.00 H new ATOM 1559 N THR B 146 1.220 4.445 2.575 1.00 0.00 N ATOM 1560 CA THR B 146 2.217 5.044 3.479 1.00 0.00 C ATOM 1561 C THR B 146 3.454 4.145 3.639 1.00 0.00 C ATOM 1562 O THR B 146 4.584 4.637 3.661 1.00 0.00 O ATOM 1563 CB THR B 146 1.587 5.353 4.851 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.558 6.311 4.708 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.581 5.943 5.856 1.00 0.00 C ATOM 0 H THR B 146 0.313 4.290 3.015 1.00 0.00 H new ATOM 0 HA THR B 146 2.549 5.979 3.029 1.00 0.00 H new ATOM 0 HB THR B 146 1.221 4.396 5.223 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.222 5.893 4.286 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.072 6.137 6.800 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.395 5.236 6.021 1.00 0.00 H new ATOM 0 HG23 THR B 146 2.985 6.876 5.463 1.00 0.00 H new ATOM 1573 N GLU B 147 3.277 2.823 3.681 1.00 0.00 N ATOM 1574 CA GLU B 147 4.392 1.871 3.823 1.00 0.00 C ATOM 1575 C GLU B 147 5.284 1.786 2.570 1.00 0.00 C ATOM 1576 O GLU B 147 6.490 1.576 2.706 1.00 0.00 O ATOM 1577 CB GLU B 147 3.840 0.503 4.249 1.00 0.00 C ATOM 1578 CG GLU B 147 4.883 -0.604 4.501 1.00 0.00 C ATOM 1579 CD GLU B 147 5.860 -0.368 5.673 1.00 0.00 C ATOM 1580 OE1 GLU B 147 5.854 0.707 6.322 1.00 0.00 O ATOM 1581 OE2 GLU B 147 6.649 -1.289 5.975 1.00 0.00 O1- ATOM 0 H GLU B 147 2.361 2.378 3.618 1.00 0.00 H new ATOM 0 HA GLU B 147 5.056 2.241 4.604 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.257 0.638 5.160 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.152 0.156 3.478 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.353 -1.539 4.680 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.467 -0.738 3.590 1.00 0.00 H new ATOM 1588 N ILE B 148 4.751 2.025 1.365 1.00 0.00 N ATOM 1589 CA ILE B 148 5.558 2.139 0.129 1.00 0.00 C ATOM 1590 C ILE B 148 6.504 3.345 0.236 1.00 0.00 C ATOM 1591 O ILE B 148 7.708 3.217 0.000 1.00 0.00 O ATOM 1592 CB ILE B 148 4.674 2.251 -1.135 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.740 1.035 -1.301 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.553 2.415 -2.397 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.595 1.297 -2.287 1.00 0.00 C ATOM 0 H ILE B 148 3.750 2.146 1.212 1.00 0.00 H new ATOM 0 HA ILE B 148 6.144 1.226 0.027 1.00 0.00 H new ATOM 0 HB ILE B 148 4.048 3.135 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.322 0.180 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.323 0.767 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.915 2.492 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE B 148 6.156 3.318 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE B 148 6.208 1.550 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.970 0.407 -2.364 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.993 2.133 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE B 148 3.007 1.537 -3.267 1.00 0.00 H new ATOM 1607 N LYS B 149 5.968 4.508 0.645 1.00 0.00 N ATOM 1608 CA LYS B 149 6.742 5.748 0.853 1.00 0.00 C ATOM 1609 C LYS B 149 7.818 5.578 1.930 1.00 0.00 C ATOM 1610 O LYS B 149 8.963 5.987 1.732 1.00 0.00 O ATOM 1611 CB LYS B 149 5.780 6.906 1.201 1.00 0.00 C ATOM 1612 CG LYS B 149 4.874 7.294 0.017 1.00 0.00 C ATOM 1613 CD LYS B 149 3.866 8.370 0.445 1.00 0.00 C ATOM 1614 CE LYS B 149 2.955 8.816 -0.708 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.652 9.707 -1.673 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.973 4.616 0.843 1.00 0.00 H new ATOM 0 HA LYS B 149 7.265 5.985 -0.074 1.00 0.00 H new ATOM 0 HB2 LYS B 149 5.160 6.617 2.050 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.360 7.775 1.511 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.482 7.664 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.344 6.414 -0.347 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.253 7.985 1.260 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.405 9.234 0.833 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.583 7.937 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.087 9.335 -0.301 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 2.950 10.193 -2.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.212 10.412 -1.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.282 9.140 -2.276 1.00 0.00 H new ATOM 1629 N ARG B 150 7.486 4.893 3.038 1.00 0.00 N ATOM 1630 CA ARG B 150 8.414 4.493 4.109 1.00 0.00 C ATOM 1631 C ARG B 150 9.552 3.607 3.593 1.00 0.00 C ATOM 1632 O ARG B 150 10.714 3.881 3.895 1.00 0.00 O ATOM 1633 CB ARG B 150 7.595 3.831 5.229 1.00 0.00 C ATOM 1634 CG ARG B 150 8.364 3.454 6.502 1.00 0.00 C ATOM 1635 CD ARG B 150 9.030 2.076 6.412 1.00 0.00 C ATOM 1636 NE ARG B 150 9.515 1.653 7.734 1.00 0.00 N ATOM 1637 CZ ARG B 150 8.842 0.999 8.666 1.00 0.00 C ATOM 1638 NH1 ARG B 150 7.617 0.586 8.502 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 9.403 0.751 9.816 1.00 0.00 N ATOM 0 H ARG B 150 6.528 4.592 3.218 1.00 0.00 H new ATOM 0 HA ARG B 150 8.916 5.374 4.510 1.00 0.00 H new ATOM 0 HB2 ARG B 150 6.785 4.506 5.506 1.00 0.00 H new ATOM 0 HB3 ARG B 150 7.134 2.928 4.828 1.00 0.00 H new ATOM 0 HG2 ARG B 150 9.127 4.208 6.696 1.00 0.00 H new ATOM 0 HG3 ARG B 150 7.680 3.466 7.351 1.00 0.00 H new ATOM 0 HD2 ARG B 150 8.318 1.345 6.028 1.00 0.00 H new ATOM 0 HD3 ARG B 150 9.861 2.112 5.707 1.00 0.00 H new ATOM 0 HE ARG B 150 10.481 1.891 7.958 1.00 0.00 H new ATOM 0 HH11 ARG B 150 7.133 0.763 7.622 1.00 0.00 H new ATOM 0 HH12 ARG B 150 7.143 0.085 9.254 1.00 0.00 H new ATOM 0 HH21 ARG B 150 10.358 1.061 9.995 1.00 0.00 H new ATOM 0 HH22 ARG B 150 8.887 0.247 10.537 1.00 0.00 H new ATOM 1653 N LEU B 151 9.244 2.590 2.789 1.00 0.00 N ATOM 1654 CA LEU B 151 10.248 1.704 2.182 1.00 0.00 C ATOM 1655 C LEU B 151 11.198 2.473 1.251 1.00 0.00 C ATOM 1656 O LEU B 151 12.414 2.305 1.354 1.00 0.00 O ATOM 1657 CB LEU B 151 9.552 0.561 1.401 1.00 0.00 C ATOM 1658 CG LEU B 151 9.714 -0.851 1.994 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.184 -1.283 2.042 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.101 -0.969 3.388 1.00 0.00 C ATOM 0 H LEU B 151 8.285 2.352 2.536 1.00 0.00 H new ATOM 0 HA LEU B 151 10.844 1.280 2.990 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.488 0.787 1.335 1.00 0.00 H new ATOM 0 HB3 LEU B 151 9.940 0.554 0.382 1.00 0.00 H new ATOM 0 HG LEU B 151 9.172 -1.519 1.325 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.255 -2.284 2.467 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.595 -1.287 1.033 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.748 -0.585 2.661 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.241 -1.983 3.762 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.588 -0.263 4.061 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.035 -0.745 3.337 1.00 0.00 H new ATOM 1672 N LYS B 152 10.667 3.343 0.380 1.00 0.00 N ATOM 1673 CA LYS B 152 11.474 4.186 -0.522 1.00 0.00 C ATOM 1674 C LYS B 152 12.398 5.130 0.248 1.00 0.00 C ATOM 1675 O LYS B 152 13.575 5.240 -0.096 1.00 0.00 O ATOM 1676 CB LYS B 152 10.554 4.963 -1.475 1.00 0.00 C ATOM 1677 CG LYS B 152 9.942 4.044 -2.547 1.00 0.00 C ATOM 1678 CD LYS B 152 9.059 4.861 -3.495 1.00 0.00 C ATOM 1679 CE LYS B 152 8.492 3.985 -4.619 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.846 4.832 -5.649 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.662 3.484 0.279 1.00 0.00 H new ATOM 0 HA LYS B 152 12.117 3.531 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.756 5.439 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS B 152 11.119 5.760 -1.958 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.734 3.550 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS B 152 9.352 3.260 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS B 152 8.240 5.313 -2.935 1.00 0.00 H new ATOM 0 HD3 LYS B 152 9.640 5.677 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS B 152 9.291 3.396 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS B 152 7.768 3.280 -4.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 7.092 4.292 -6.120 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.438 5.676 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 8.554 5.124 -6.353 1.00 0.00 H new ATOM 1694 N ALA B 153 11.904 5.772 1.305 1.00 0.00 N ATOM 1695 CA ALA B 153 12.706 6.634 2.176 1.00 0.00 C ATOM 1696 C ALA B 153 13.845 5.867 2.872 1.00 0.00 C ATOM 1697 O ALA B 153 14.989 6.329 2.883 1.00 0.00 O ATOM 1698 CB ALA B 153 11.768 7.299 3.191 1.00 0.00 C ATOM 0 H ALA B 153 10.925 5.709 1.585 1.00 0.00 H new ATOM 0 HA ALA B 153 13.195 7.396 1.570 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.346 7.946 3.851 1.00 0.00 H new ATOM 0 HB2 ALA B 153 11.022 7.892 2.663 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.269 6.531 3.782 1.00 0.00 H new ATOM 1704 N ALA B 154 13.571 4.669 3.395 1.00 0.00 N ATOM 1705 CA ALA B 154 14.575 3.815 4.036 1.00 0.00 C ATOM 1706 C ALA B 154 15.654 3.322 3.049 1.00 0.00 C ATOM 1707 O ALA B 154 16.851 3.374 3.355 1.00 0.00 O ATOM 1708 CB ALA B 154 13.848 2.644 4.706 1.00 0.00 C ATOM 0 H ALA B 154 12.636 4.260 3.385 1.00 0.00 H new ATOM 0 HA ALA B 154 15.112 4.400 4.783 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.576 1.993 5.191 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.151 3.027 5.451 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.300 2.078 3.953 1.00 0.00 H new ATOM 1714 N ASN B 155 15.244 2.883 1.853 1.00 0.00 N ATOM 1715 CA ASN B 155 16.137 2.445 0.776 1.00 0.00 C ATOM 1716 C ASN B 155 17.039 3.601 0.293 1.00 0.00 C ATOM 1717 O ASN B 155 18.253 3.440 0.151 1.00 0.00 O ATOM 1718 CB ASN B 155 15.258 1.841 -0.341 1.00 0.00 C ATOM 1719 CG ASN B 155 16.022 0.984 -1.341 1.00 0.00 C ATOM 1720 OD1 ASN B 155 17.142 1.266 -1.735 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.430 -0.098 -1.799 1.00 0.00 N ATOM 0 H ASN B 155 14.257 2.821 1.602 1.00 0.00 H new ATOM 0 HA ASN B 155 16.829 1.680 1.127 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.475 1.236 0.116 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.763 2.651 -0.877 1.00 0.00 H new ATOM 0 HD21 ASN B 155 15.907 -0.692 -2.477 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.494 -0.343 -1.476 1.00 0.00 H new ATOM 1728 N GLN B 156 16.487 4.809 0.132 1.00 0.00 N ATOM 1729 CA GLN B 156 17.263 6.016 -0.193 1.00 0.00 C ATOM 1730 C GLN B 156 18.279 6.365 0.912 1.00 0.00 C ATOM 1731 O GLN B 156 19.448 6.623 0.619 1.00 0.00 O ATOM 1732 CB GLN B 156 16.290 7.171 -0.484 1.00 0.00 C ATOM 1733 CG GLN B 156 16.971 8.489 -0.907 1.00 0.00 C ATOM 1734 CD GLN B 156 17.578 9.306 0.241 1.00 0.00 C ATOM 1735 OE1 GLN B 156 18.744 9.681 0.223 1.00 0.00 O ATOM 1736 NE2 GLN B 156 16.837 9.598 1.292 1.00 0.00 N ATOM 0 H GLN B 156 15.486 4.980 0.223 1.00 0.00 H new ATOM 0 HA GLN B 156 17.860 5.829 -1.086 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.604 6.862 -1.273 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.689 7.356 0.406 1.00 0.00 H new ATOM 0 HG2 GLN B 156 17.759 8.259 -1.624 1.00 0.00 H new ATOM 0 HG3 GLN B 156 16.239 9.108 -1.425 1.00 0.00 H new ATOM 0 HE21 GLN B 156 15.863 9.296 1.329 1.00 0.00 H new ATOM 0 HE22 GLN B 156 17.237 10.126 2.068 1.00 0.00 H new